Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H5CNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 26 7 3034 1317 207 Max 46 27 8 3047 1335 216 Sum 1651 945 281 109557 47749 7669 bravais-lattice index = 14 lattice parameter (alat) = 8.8420 a.u. unit-cell volume = 1097.1181 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.842028 celldm(2)= 0.815131 celldm(3)= 1.947425 celldm(4)= 0.020419 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.815131 0.000000 ) a(3) = ( 0.000000 0.039764 1.947019 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.226796 -0.025055 ) b(3) = ( 0.000000 0.000000 0.513606 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0198822 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9735093 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [1,0,0] -s -2 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 267 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 2) = ( 0.0000000 0.0000000 0.0142668), wk = 0.0037453 k( 3) = ( 0.0000000 0.0000000 0.0285337), wk = 0.0037453 k( 4) = ( 0.0000000 0.0000000 0.0428005), wk = 0.0037453 k( 5) = ( 0.0000000 0.0000000 0.0570673), wk = 0.0037453 k( 6) = ( 0.0000000 0.0000000 0.0713341), wk = 0.0037453 k( 7) = ( 0.0000000 0.0000000 0.0856010), wk = 0.0037453 k( 8) = ( 0.0000000 0.0000000 0.0998678), wk = 0.0037453 k( 9) = ( 0.0000000 0.0000000 0.1141346), wk = 0.0037453 k( 10) = ( 0.0000000 0.0000000 0.1284014), wk = 0.0037453 k( 11) = ( 0.0000000 0.0000000 0.1426683), wk = 0.0037453 k( 12) = ( 0.0000000 0.0000000 0.1569351), wk = 0.0037453 k( 13) = ( 0.0000000 0.0000000 0.1712019), wk = 0.0037453 k( 14) = ( 0.0000000 0.0000000 0.1854687), wk = 0.0037453 k( 15) = ( 0.0000000 0.0000000 0.1997356), wk = 0.0037453 k( 16) = ( 0.0000000 0.0000000 0.2140024), wk = 0.0037453 k( 17) = ( 0.0000000 0.0000000 0.2282692), wk = 0.0037453 k( 18) = ( 0.0000000 0.0000000 0.2425361), wk = 0.0037453 k( 19) = ( 0.0000000 0.0000000 0.2568029), wk = 0.0037453 k( 20) = ( 0.0000000 0.0000000 0.2568029), wk = 0.0037453 k( 21) = ( 0.0000000 0.0148393 0.2568029), wk = 0.0037453 k( 22) = ( 0.0000000 0.0296785 0.2568029), wk = 0.0037453 k( 23) = ( 0.0000000 0.0445177 0.2568029), wk = 0.0037453 k( 24) = ( 0.0000000 0.0593570 0.2568029), wk = 0.0037453 k( 25) = ( 0.0000000 0.0741962 0.2568029), wk = 0.0037453 k( 26) = ( 0.0000000 0.0890355 0.2568029), wk = 0.0037453 k( 27) = ( 0.0000000 0.1038747 0.2568029), wk = 0.0037453 k( 28) = ( 0.0000000 0.1187140 0.2568029), wk = 0.0037453 k( 29) = ( 0.0000000 0.1335532 0.2568029), wk = 0.0037453 k( 30) = ( 0.0000000 0.1483925 0.2568029), wk = 0.0037453 k( 31) = ( 0.0000000 0.1632317 0.2568029), wk = 0.0037453 k( 32) = ( 0.0000000 0.1780710 0.2568029), wk = 0.0037453 k( 33) = ( 0.0000000 0.1929102 0.2568029), wk = 0.0037453 k( 34) = ( 0.0000000 0.2077495 0.2568029), wk = 0.0037453 k( 35) = ( 0.0000000 0.2225887 0.2568029), wk = 0.0037453 k( 36) = ( 0.0000000 0.2374280 0.2568029), wk = 0.0037453 k( 37) = ( 0.0000000 0.2522672 0.2568029), wk = 0.0037453 k( 38) = ( 0.0000000 0.2671064 0.2568029), wk = 0.0037453 k( 39) = ( 0.0000000 0.2819457 0.2568029), wk = 0.0037453 k( 40) = ( 0.0000000 0.2967849 0.2568029), wk = 0.0037453 k( 41) = ( 0.0000000 0.3116242 0.2568029), wk = 0.0037453 k( 42) = ( 0.0000000 0.3264634 0.2568029), wk = 0.0037453 k( 43) = ( 0.0000000 0.3413027 0.2568029), wk = 0.0037453 k( 44) = ( 0.0000000 0.3561419 0.2568029), wk = 0.0037453 k( 45) = ( 0.0000000 0.3709812 0.2568029), wk = 0.0037453 k( 46) = ( 0.0000000 0.3858204 0.2568029), wk = 0.0037453 k( 47) = ( 0.0000000 0.4006597 0.2568029), wk = 0.0037453 k( 48) = ( 0.0000000 0.4154989 0.2568029), wk = 0.0037453 k( 49) = ( 0.0000000 0.4303382 0.2568029), wk = 0.0037453 k( 50) = ( 0.0000000 0.4451774 0.2568029), wk = 0.0037453 k( 51) = ( 0.0000000 0.4600167 0.2568029), wk = 0.0037453 k( 52) = ( 0.0000000 0.4748559 0.2568029), wk = 0.0037453 k( 53) = ( 0.0000000 0.4896951 0.2568029), wk = 0.0037453 k( 54) = ( 0.0000000 0.5045344 0.2568029), wk = 0.0037453 k( 55) = ( 0.0000000 0.5193736 0.2568029), wk = 0.0037453 k( 56) = ( 0.0000000 0.5342129 0.2568029), wk = 0.0037453 k( 57) = ( 0.0000000 0.5490521 0.2568029), wk = 0.0037453 k( 58) = ( 0.0000000 0.5638914 0.2568029), wk = 0.0037453 k( 59) = ( 0.0000000 0.5787306 0.2568029), wk = 0.0037453 k( 60) = ( 0.0000000 0.5935699 0.2568029), wk = 0.0037453 k( 61) = ( 0.0000000 0.6084091 0.2568029), wk = 0.0037453 k( 62) = ( 0.0000000 0.6084091 0.2568029), wk = 0.0037453 k( 63) = ( 0.0000000 0.6133980 0.2442753), wk = 0.0037453 k( 64) = ( 0.0000000 0.6133980 0.2442753), wk = 0.0037453 k( 65) = ( 0.0147059 0.6133980 0.2442753), wk = 0.0037453 k( 66) = ( 0.0294118 0.6133980 0.2442753), wk = 0.0037453 k( 67) = ( 0.0441177 0.6133980 0.2442753), wk = 0.0037453 k( 68) = ( 0.0588235 0.6133980 0.2442753), wk = 0.0037453 k( 69) = ( 0.0735294 0.6133980 0.2442753), wk = 0.0037453 k( 70) = ( 0.0882353 0.6133980 0.2442753), wk = 0.0037453 k( 71) = ( 0.1029412 0.6133980 0.2442753), wk = 0.0037453 k( 72) = ( 0.1176471 0.6133980 0.2442753), wk = 0.0037453 k( 73) = ( 0.1323529 0.6133980 0.2442753), wk = 0.0037453 k( 74) = ( 0.1470588 0.6133980 0.2442753), wk = 0.0037453 k( 75) = ( 0.1617647 0.6133980 0.2442753), wk = 0.0037453 k( 76) = ( 0.1764706 0.6133980 0.2442753), wk = 0.0037453 k( 77) = ( 0.1911765 0.6133980 0.2442753), wk = 0.0037453 k( 78) = ( 0.2058823 0.6133980 0.2442753), wk = 0.0037453 k( 79) = ( 0.2205882 0.6133980 0.2442753), wk = 0.0037453 k( 80) = ( 0.2352941 0.6133980 0.2442753), wk = 0.0037453 k( 81) = ( 0.2500000 0.6133980 0.2442753), wk = 0.0037453 k( 82) = ( 0.2647059 0.6133980 0.2442753), wk = 0.0037453 k( 83) = ( 0.2794118 0.6133980 0.2442753), wk = 0.0037453 k( 84) = ( 0.2941177 0.6133980 0.2442753), wk = 0.0037453 k( 85) = ( 0.3088235 0.6133980 0.2442753), wk = 0.0037453 k( 86) = ( 0.3235294 0.6133980 0.2442753), wk = 0.0037453 k( 87) = ( 0.3382353 0.6133980 0.2442753), wk = 0.0037453 k( 88) = ( 0.3529412 0.6133980 0.2442753), wk = 0.0037453 k( 89) = ( 0.3676471 0.6133980 0.2442753), wk = 0.0037453 k( 90) = ( 0.3823529 0.6133980 0.2442753), wk = 0.0037453 k( 91) = ( 0.3970588 0.6133980 0.2442753), wk = 0.0037453 k( 92) = ( 0.4117647 0.6133980 0.2442753), wk = 0.0037453 k( 93) = ( 0.4264706 0.6133980 0.2442753), wk = 0.0037453 k( 94) = ( 0.4411765 0.6133980 0.2442753), wk = 0.0037453 k( 95) = ( 0.4558823 0.6133980 0.2442753), wk = 0.0037453 k( 96) = ( 0.4705882 0.6133980 0.2442753), wk = 0.0037453 k( 97) = ( 0.4852941 0.6133980 0.2442753), wk = 0.0037453 k( 98) = ( 0.5000000 0.6133980 0.2442753), wk = 0.0037453 k( 99) = ( 0.5000000 0.6133980 0.2442753), wk = 0.0037453 k( 100) = ( 0.5000000 0.6183869 0.2317478), wk = 0.0037453 k( 101) = ( 0.5000000 0.6183869 0.2317478), wk = 0.0037453 k( 102) = ( 0.5000000 0.6180934 0.2173787), wk = 0.0037453 k( 103) = ( 0.5000000 0.6178000 0.2030095), wk = 0.0037453 k( 104) = ( 0.5000000 0.6175065 0.1886404), wk = 0.0037453 k( 105) = ( 0.5000000 0.6172130 0.1742712), wk = 0.0037453 k( 106) = ( 0.5000000 0.6169196 0.1599021), wk = 0.0037453 k( 107) = ( 0.5000000 0.6166261 0.1455330), wk = 0.0037453 k( 108) = ( 0.5000000 0.6163326 0.1311638), wk = 0.0037453 k( 109) = ( 0.5000000 0.6160392 0.1167947), wk = 0.0037453 k( 110) = ( 0.5000000 0.6157457 0.1024256), wk = 0.0037453 k( 111) = ( 0.5000000 0.6154523 0.0880564), wk = 0.0037453 k( 112) = ( 0.5000000 0.6151588 0.0736873), wk = 0.0037453 k( 113) = ( 0.5000000 0.6148653 0.0593181), wk = 0.0037453 k( 114) = ( 0.5000000 0.6145719 0.0449490), wk = 0.0037453 k( 115) = ( 0.5000000 0.6142784 0.0305799), wk = 0.0037453 k( 116) = ( 0.5000000 0.6139849 0.0162107), wk = 0.0037453 k( 117) = ( 0.5000000 0.6136915 0.0018416), wk = 0.0037453 k( 118) = ( 0.5000000 0.6133980 -0.0125275), wk = 0.0037453 k( 119) = ( 0.5000000 0.6133980 -0.0125275), wk = 0.0037453 k( 120) = ( 0.4852941 0.6133980 -0.0125275), wk = 0.0037453 k( 121) = ( 0.4705882 0.6133980 -0.0125275), wk = 0.0037453 k( 122) = ( 0.4558823 0.6133980 -0.0125275), wk = 0.0037453 k( 123) = ( 0.4411765 0.6133980 -0.0125275), wk = 0.0037453 k( 124) = ( 0.4264706 0.6133980 -0.0125275), wk = 0.0037453 k( 125) = ( 0.4117647 0.6133980 -0.0125275), wk = 0.0037453 k( 126) = ( 0.3970588 0.6133980 -0.0125275), wk = 0.0037453 k( 127) = ( 0.3823529 0.6133980 -0.0125275), wk = 0.0037453 k( 128) = ( 0.3676471 0.6133980 -0.0125275), wk = 0.0037453 k( 129) = ( 0.3529412 0.6133980 -0.0125275), wk = 0.0037453 k( 130) = ( 0.3382353 0.6133980 -0.0125275), wk = 0.0037453 k( 131) = ( 0.3235294 0.6133980 -0.0125275), wk = 0.0037453 k( 132) = ( 0.3088235 0.6133980 -0.0125275), wk = 0.0037453 k( 133) = ( 0.2941177 0.6133980 -0.0125275), wk = 0.0037453 k( 134) = ( 0.2794118 0.6133980 -0.0125275), wk = 0.0037453 k( 135) = ( 0.2647059 0.6133980 -0.0125275), wk = 0.0037453 k( 136) = ( 0.2500000 0.6133980 -0.0125275), wk = 0.0037453 k( 137) = ( 0.2352941 0.6133980 -0.0125275), wk = 0.0037453 k( 138) = ( 0.2205882 0.6133980 -0.0125275), wk = 0.0037453 k( 139) = ( 0.2058823 0.6133980 -0.0125275), wk = 0.0037453 k( 140) = ( 0.1911765 0.6133980 -0.0125275), wk = 0.0037453 k( 141) = ( 0.1764706 0.6133980 -0.0125275), wk = 0.0037453 k( 142) = ( 0.1617647 0.6133980 -0.0125275), wk = 0.0037453 k( 143) = ( 0.1470588 0.6133980 -0.0125275), wk = 0.0037453 k( 144) = ( 0.1323529 0.6133980 -0.0125275), wk = 0.0037453 k( 145) = ( 0.1176471 0.6133980 -0.0125275), wk = 0.0037453 k( 146) = ( 0.1029412 0.6133980 -0.0125275), wk = 0.0037453 k( 147) = ( 0.0882353 0.6133980 -0.0125275), wk = 0.0037453 k( 148) = ( 0.0735294 0.6133980 -0.0125275), wk = 0.0037453 k( 149) = ( 0.0588235 0.6133980 -0.0125275), wk = 0.0037453 k( 150) = ( 0.0441177 0.6133980 -0.0125275), wk = 0.0037453 k( 151) = ( 0.0294118 0.6133980 -0.0125275), wk = 0.0037453 k( 152) = ( 0.0147059 0.6133980 -0.0125275), wk = 0.0037453 k( 153) = ( 0.0000000 0.6133980 -0.0125275), wk = 0.0037453 k( 154) = ( 0.0000000 0.6133980 -0.0125275), wk = 0.0037453 k( 155) = ( 0.0000000 0.6136915 0.0018416), wk = 0.0037453 k( 156) = ( 0.0000000 0.6139849 0.0162107), wk = 0.0037453 k( 157) = ( 0.0000000 0.6142784 0.0305799), wk = 0.0037453 k( 158) = ( 0.0000000 0.6145719 0.0449490), wk = 0.0037453 k( 159) = ( 0.0000000 0.6148653 0.0593181), wk = 0.0037453 k( 160) = ( 0.0000000 0.6151588 0.0736873), wk = 0.0037453 k( 161) = ( 0.0000000 0.6154523 0.0880564), wk = 0.0037453 k( 162) = ( 0.0000000 0.6157457 0.1024256), wk = 0.0037453 k( 163) = ( 0.0000000 0.6160392 0.1167947), wk = 0.0037453 k( 164) = ( 0.0000000 0.6163326 0.1311638), wk = 0.0037453 k( 165) = ( 0.0000000 0.6166261 0.1455330), wk = 0.0037453 k( 166) = ( 0.0000000 0.6169196 0.1599021), wk = 0.0037453 k( 167) = ( 0.0000000 0.6172130 0.1742712), wk = 0.0037453 k( 168) = ( 0.0000000 0.6175065 0.1886404), wk = 0.0037453 k( 169) = ( 0.0000000 0.6178000 0.2030095), wk = 0.0037453 k( 170) = ( 0.0000000 0.6180934 0.2173787), wk = 0.0037453 k( 171) = ( 0.0000000 0.6183869 0.2317478), wk = 0.0037453 k( 172) = ( 0.5000000 0.6084091 0.2568029), wk = 0.0037453 k( 173) = ( 0.5000000 0.5935699 0.2568029), wk = 0.0037453 k( 174) = ( 0.5000000 0.5787306 0.2568029), wk = 0.0037453 k( 175) = ( 0.5000000 0.5638914 0.2568029), wk = 0.0037453 k( 176) = ( 0.5000000 0.5490521 0.2568029), wk = 0.0037453 k( 177) = ( 0.5000000 0.5342129 0.2568029), wk = 0.0037453 k( 178) = ( 0.5000000 0.5193736 0.2568029), wk = 0.0037453 k( 179) = ( 0.5000000 0.5045344 0.2568029), wk = 0.0037453 k( 180) = ( 0.5000000 0.4896951 0.2568029), wk = 0.0037453 k( 181) = ( 0.5000000 0.4748559 0.2568029), wk = 0.0037453 k( 182) = ( 0.5000000 0.4600167 0.2568029), wk = 0.0037453 k( 183) = ( 0.5000000 0.4451774 0.2568029), wk = 0.0037453 k( 184) = ( 0.5000000 0.4303382 0.2568029), wk = 0.0037453 k( 185) = ( 0.5000000 0.4154989 0.2568029), wk = 0.0037453 k( 186) = ( 0.5000000 0.4006597 0.2568029), wk = 0.0037453 k( 187) = ( 0.5000000 0.3858204 0.2568029), wk = 0.0037453 k( 188) = ( 0.5000000 0.3709812 0.2568029), wk = 0.0037453 k( 189) = ( 0.5000000 0.3561419 0.2568029), wk = 0.0037453 k( 190) = ( 0.5000000 0.3413027 0.2568029), wk = 0.0037453 k( 191) = ( 0.5000000 0.3264634 0.2568029), wk = 0.0037453 k( 192) = ( 0.5000000 0.3116242 0.2568029), wk = 0.0037453 k( 193) = ( 0.5000000 0.2967849 0.2568029), wk = 0.0037453 k( 194) = ( 0.5000000 0.2819457 0.2568029), wk = 0.0037453 k( 195) = ( 0.5000000 0.2671064 0.2568029), wk = 0.0037453 k( 196) = ( 0.5000000 0.2522672 0.2568029), wk = 0.0037453 k( 197) = ( 0.5000000 0.2374280 0.2568029), wk = 0.0037453 k( 198) = ( 0.5000000 0.2225887 0.2568029), wk = 0.0037453 k( 199) = ( 0.5000000 0.2077495 0.2568029), wk = 0.0037453 k( 200) = ( 0.5000000 0.1929102 0.2568029), wk = 0.0037453 k( 201) = ( 0.5000000 0.1780710 0.2568029), wk = 0.0037453 k( 202) = ( 0.5000000 0.1632317 0.2568029), wk = 0.0037453 k( 203) = ( 0.5000000 0.1483925 0.2568029), wk = 0.0037453 k( 204) = ( 0.5000000 0.1335532 0.2568029), wk = 0.0037453 k( 205) = ( 0.5000000 0.1187140 0.2568029), wk = 0.0037453 k( 206) = ( 0.5000000 0.1038747 0.2568029), wk = 0.0037453 k( 207) = ( 0.5000000 0.0890355 0.2568029), wk = 0.0037453 k( 208) = ( 0.5000000 0.0741962 0.2568029), wk = 0.0037453 k( 209) = ( 0.5000000 0.0593570 0.2568029), wk = 0.0037453 k( 210) = ( 0.5000000 0.0445177 0.2568029), wk = 0.0037453 k( 211) = ( 0.5000000 0.0296785 0.2568029), wk = 0.0037453 k( 212) = ( 0.5000000 0.0148393 0.2568029), wk = 0.0037453 k( 213) = ( 0.5000000 -0.0000000 0.2568029), wk = 0.0037453 k( 214) = ( 0.5000000 -0.0000000 0.2568029), wk = 0.0037453 k( 215) = ( 0.5000000 -0.0000000 0.2425361), wk = 0.0037453 k( 216) = ( 0.5000000 -0.0000000 0.2282692), wk = 0.0037453 k( 217) = ( 0.5000000 -0.0000000 0.2140024), wk = 0.0037453 k( 218) = ( 0.5000000 -0.0000000 0.1997356), wk = 0.0037453 k( 219) = ( 0.5000000 -0.0000000 0.1854687), wk = 0.0037453 k( 220) = ( 0.5000000 -0.0000000 0.1712019), wk = 0.0037453 k( 221) = ( 0.5000000 -0.0000000 0.1569351), wk = 0.0037453 k( 222) = ( 0.5000000 -0.0000000 0.1426683), wk = 0.0037453 k( 223) = ( 0.5000000 -0.0000000 0.1284014), wk = 0.0037453 k( 224) = ( 0.5000000 -0.0000000 0.1141346), wk = 0.0037453 k( 225) = ( 0.5000000 -0.0000000 0.0998678), wk = 0.0037453 k( 226) = ( 0.5000000 -0.0000000 0.0856010), wk = 0.0037453 k( 227) = ( 0.5000000 -0.0000000 0.0713341), wk = 0.0037453 k( 228) = ( 0.5000000 -0.0000000 0.0570673), wk = 0.0037453 k( 229) = ( 0.5000000 -0.0000000 0.0428005), wk = 0.0037453 k( 230) = ( 0.5000000 -0.0000000 0.0285337), wk = 0.0037453 k( 231) = ( 0.5000000 -0.0000000 0.0142668), wk = 0.0037453 k( 232) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037453 k( 233) = ( 0.0000000 0.0000000 0.2568029), wk = 0.0037453 k( 234) = ( 0.0147059 -0.0000000 0.2568029), wk = 0.0037453 k( 235) = ( 0.0294118 -0.0000000 0.2568029), wk = 0.0037453 k( 236) = ( 0.0441177 -0.0000000 0.2568029), wk = 0.0037453 k( 237) = ( 0.0588235 -0.0000000 0.2568029), wk = 0.0037453 k( 238) = ( 0.0735294 -0.0000000 0.2568029), wk = 0.0037453 k( 239) = ( 0.0882353 -0.0000000 0.2568029), wk = 0.0037453 k( 240) = ( 0.1029412 -0.0000000 0.2568029), wk = 0.0037453 k( 241) = ( 0.1176471 -0.0000000 0.2568029), wk = 0.0037453 k( 242) = ( 0.1323529 -0.0000000 0.2568029), wk = 0.0037453 k( 243) = ( 0.1470588 -0.0000000 0.2568029), wk = 0.0037453 k( 244) = ( 0.1617647 -0.0000000 0.2568029), wk = 0.0037453 k( 245) = ( 0.1764706 -0.0000000 0.2568029), wk = 0.0037453 k( 246) = ( 0.1911765 -0.0000000 0.2568029), wk = 0.0037453 k( 247) = ( 0.2058823 -0.0000000 0.2568029), wk = 0.0037453 k( 248) = ( 0.2205882 -0.0000000 0.2568029), wk = 0.0037453 k( 249) = ( 0.2352941 -0.0000000 0.2568029), wk = 0.0037453 k( 250) = ( 0.2500000 -0.0000000 0.2568029), wk = 0.0037453 k( 251) = ( 0.2647059 -0.0000000 0.2568029), wk = 0.0037453 k( 252) = ( 0.2794118 -0.0000000 0.2568029), wk = 0.0037453 k( 253) = ( 0.2941177 -0.0000000 0.2568029), wk = 0.0037453 k( 254) = ( 0.3088235 -0.0000000 0.2568029), wk = 0.0037453 k( 255) = ( 0.3235294 -0.0000000 0.2568029), wk = 0.0037453 k( 256) = ( 0.3382353 -0.0000000 0.2568029), wk = 0.0037453 k( 257) = ( 0.3529412 -0.0000000 0.2568029), wk = 0.0037453 k( 258) = ( 0.3676471 -0.0000000 0.2568029), wk = 0.0037453 k( 259) = ( 0.3823529 -0.0000000 0.2568029), wk = 0.0037453 k( 260) = ( 0.3970588 -0.0000000 0.2568029), wk = 0.0037453 k( 261) = ( 0.4117647 -0.0000000 0.2568029), wk = 0.0037453 k( 262) = ( 0.4264706 -0.0000000 0.2568029), wk = 0.0037453 k( 263) = ( 0.4411765 -0.0000000 0.2568029), wk = 0.0037453 k( 264) = ( 0.4558823 -0.0000000 0.2568029), wk = 0.0037453 k( 265) = ( 0.4705882 -0.0000000 0.2568029), wk = 0.0037453 k( 266) = ( 0.4852941 -0.0000000 0.2568029), wk = 0.0037453 k( 267) = ( 0.5000000 -0.0000000 0.2568029), wk = 0.0037453 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0037453 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0037453 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0037453 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0037453 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0037453 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037453 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0037453 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0037453 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037453 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0037453 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0037453 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037453 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0037453 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0037453 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0037453 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0037453 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0037453 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037453 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037453 k( 21) = ( 0.0000000 0.0120959 0.5005901), wk = 0.0037453 k( 22) = ( 0.0000000 0.0241919 0.5011802), wk = 0.0037453 k( 23) = ( 0.0000000 0.0362878 0.5017702), wk = 0.0037453 k( 24) = ( 0.0000000 0.0483838 0.5023603), wk = 0.0037453 k( 25) = ( 0.0000000 0.0604797 0.5029504), wk = 0.0037453 k( 26) = ( 0.0000000 0.0725756 0.5035404), wk = 0.0037453 k( 27) = ( 0.0000000 0.0846716 0.5041305), wk = 0.0037453 k( 28) = ( 0.0000000 0.0967675 0.5047206), wk = 0.0037453 k( 29) = ( 0.0000000 0.1088634 0.5053106), wk = 0.0037453 k( 30) = ( 0.0000000 0.1209594 0.5059007), wk = 0.0037453 k( 31) = ( 0.0000000 0.1330553 0.5064908), wk = 0.0037453 k( 32) = ( 0.0000000 0.1451512 0.5070809), wk = 0.0037453 k( 33) = ( 0.0000000 0.1572472 0.5076710), wk = 0.0037453 k( 34) = ( 0.0000000 0.1693431 0.5082610), wk = 0.0037453 k( 35) = ( 0.0000000 0.1814390 0.5088511), wk = 0.0037453 k( 36) = ( 0.0000000 0.1935350 0.5094412), wk = 0.0037453 k( 37) = ( 0.0000000 0.2056309 0.5100312), wk = 0.0037453 k( 38) = ( 0.0000000 0.2177269 0.5106213), wk = 0.0037453 k( 39) = ( 0.0000000 0.2298228 0.5112114), wk = 0.0037453 k( 40) = ( 0.0000000 0.2419187 0.5118015), wk = 0.0037453 k( 41) = ( 0.0000000 0.2540147 0.5123915), wk = 0.0037453 k( 42) = ( 0.0000000 0.2661106 0.5129816), wk = 0.0037453 k( 43) = ( 0.0000000 0.2782065 0.5135717), wk = 0.0037453 k( 44) = ( 0.0000000 0.2903025 0.5141617), wk = 0.0037453 k( 45) = ( 0.0000000 0.3023984 0.5147518), wk = 0.0037453 k( 46) = ( 0.0000000 0.3144943 0.5153419), wk = 0.0037453 k( 47) = ( 0.0000000 0.3265903 0.5159320), wk = 0.0037453 k( 48) = ( 0.0000000 0.3386862 0.5165220), wk = 0.0037453 k( 49) = ( 0.0000000 0.3507822 0.5171121), wk = 0.0037453 k( 50) = ( 0.0000000 0.3628781 0.5177022), wk = 0.0037453 k( 51) = ( 0.0000000 0.3749740 0.5182923), wk = 0.0037453 k( 52) = ( 0.0000000 0.3870700 0.5188823), wk = 0.0037453 k( 53) = ( 0.0000000 0.3991659 0.5194724), wk = 0.0037453 k( 54) = ( 0.0000000 0.4112618 0.5200625), wk = 0.0037453 k( 55) = ( 0.0000000 0.4233578 0.5206526), wk = 0.0037453 k( 56) = ( 0.0000000 0.4354537 0.5212426), wk = 0.0037453 k( 57) = ( 0.0000000 0.4475497 0.5218327), wk = 0.0037453 k( 58) = ( 0.0000000 0.4596456 0.5224228), wk = 0.0037453 k( 59) = ( 0.0000000 0.4717415 0.5230128), wk = 0.0037453 k( 60) = ( 0.0000000 0.4838375 0.5236029), wk = 0.0037453 k( 61) = ( 0.0000000 0.4959334 0.5241930), wk = 0.0037453 k( 62) = ( 0.0000000 0.4959334 0.5241930), wk = 0.0037453 k( 63) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037453 k( 64) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037453 k( 65) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0037453 k( 66) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0037453 k( 67) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0037453 k( 68) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0037453 k( 69) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0037453 k( 70) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0037453 k( 71) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0037453 k( 72) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0037453 k( 73) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0037453 k( 74) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0037453 k( 75) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0037453 k( 76) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0037453 k( 77) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0037453 k( 78) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0037453 k( 79) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0037453 k( 80) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0037453 k( 81) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037453 k( 82) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0037453 k( 83) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0037453 k( 84) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0037453 k( 85) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0037453 k( 86) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0037453 k( 87) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0037453 k( 88) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0037453 k( 89) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0037453 k( 90) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0037453 k( 91) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0037453 k( 92) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0037453 k( 93) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0037453 k( 94) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0037453 k( 95) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0037453 k( 96) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0037453 k( 97) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0037453 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 100) = ( 0.5000000 0.5040666 0.4758070), wk = 0.0037453 k( 101) = ( 0.5000000 0.5040666 0.4758070), wk = 0.0037453 k( 102) = ( 0.5000000 0.5038274 0.4478184), wk = 0.0037453 k( 103) = ( 0.5000000 0.5035882 0.4198297), wk = 0.0037453 k( 104) = ( 0.5000000 0.5033490 0.3918411), wk = 0.0037453 k( 105) = ( 0.5000000 0.5031098 0.3638524), wk = 0.0037453 k( 106) = ( 0.5000000 0.5028705 0.3358638), wk = 0.0037453 k( 107) = ( 0.5000000 0.5026313 0.3078751), wk = 0.0037453 k( 108) = ( 0.5000000 0.5023921 0.2798865), wk = 0.0037453 k( 109) = ( 0.5000000 0.5021529 0.2518978), wk = 0.0037453 k( 110) = ( 0.5000000 0.5019137 0.2239092), wk = 0.0037453 k( 111) = ( 0.5000000 0.5016745 0.1959205), wk = 0.0037453 k( 112) = ( 0.5000000 0.5014353 0.1679319), wk = 0.0037453 k( 113) = ( 0.5000000 0.5011961 0.1399432), wk = 0.0037453 k( 114) = ( 0.5000000 0.5009569 0.1119546), wk = 0.0037453 k( 115) = ( 0.5000000 0.5007176 0.0839659), wk = 0.0037453 k( 116) = ( 0.5000000 0.5004784 0.0559773), wk = 0.0037453 k( 117) = ( 0.5000000 0.5002392 0.0279887), wk = 0.0037453 k( 118) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037453 k( 119) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037453 k( 120) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0037453 k( 121) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0037453 k( 122) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0037453 k( 123) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0037453 k( 124) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0037453 k( 125) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0037453 k( 126) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0037453 k( 127) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0037453 k( 128) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0037453 k( 129) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0037453 k( 130) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0037453 k( 131) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0037453 k( 132) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0037453 k( 133) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0037453 k( 134) = ( 0.2794118 0.5000000 0.0000000), wk = 0.0037453 k( 135) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0037453 k( 136) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0037453 k( 137) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0037453 k( 138) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0037453 k( 139) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0037453 k( 140) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0037453 k( 141) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0037453 k( 142) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0037453 k( 143) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0037453 k( 144) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0037453 k( 145) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0037453 k( 146) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0037453 k( 147) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0037453 k( 148) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0037453 k( 149) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0037453 k( 150) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0037453 k( 151) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0037453 k( 152) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0037453 k( 153) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037453 k( 154) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037453 k( 155) = ( 0.0000000 0.5002392 0.0279887), wk = 0.0037453 k( 156) = ( 0.0000000 0.5004784 0.0559773), wk = 0.0037453 k( 157) = ( 0.0000000 0.5007176 0.0839659), wk = 0.0037453 k( 158) = ( 0.0000000 0.5009569 0.1119546), wk = 0.0037453 k( 159) = ( 0.0000000 0.5011961 0.1399432), wk = 0.0037453 k( 160) = ( 0.0000000 0.5014353 0.1679319), wk = 0.0037453 k( 161) = ( 0.0000000 0.5016745 0.1959205), wk = 0.0037453 k( 162) = ( 0.0000000 0.5019137 0.2239092), wk = 0.0037453 k( 163) = ( 0.0000000 0.5021529 0.2518978), wk = 0.0037453 k( 164) = ( 0.0000000 0.5023921 0.2798865), wk = 0.0037453 k( 165) = ( 0.0000000 0.5026313 0.3078751), wk = 0.0037453 k( 166) = ( 0.0000000 0.5028705 0.3358638), wk = 0.0037453 k( 167) = ( 0.0000000 0.5031098 0.3638524), wk = 0.0037453 k( 168) = ( 0.0000000 0.5033490 0.3918411), wk = 0.0037453 k( 169) = ( 0.0000000 0.5035882 0.4198297), wk = 0.0037453 k( 170) = ( 0.0000000 0.5038274 0.4478184), wk = 0.0037453 k( 171) = ( 0.0000000 0.5040666 0.4758070), wk = 0.0037453 k( 172) = ( 0.5000000 0.4959334 0.5241930), wk = 0.0037453 k( 173) = ( 0.5000000 0.4838375 0.5236029), wk = 0.0037453 k( 174) = ( 0.5000000 0.4717415 0.5230128), wk = 0.0037453 k( 175) = ( 0.5000000 0.4596456 0.5224228), wk = 0.0037453 k( 176) = ( 0.5000000 0.4475497 0.5218327), wk = 0.0037453 k( 177) = ( 0.5000000 0.4354537 0.5212426), wk = 0.0037453 k( 178) = ( 0.5000000 0.4233578 0.5206525), wk = 0.0037453 k( 179) = ( 0.5000000 0.4112619 0.5200625), wk = 0.0037453 k( 180) = ( 0.5000000 0.3991659 0.5194724), wk = 0.0037453 k( 181) = ( 0.5000000 0.3870700 0.5188823), wk = 0.0037453 k( 182) = ( 0.5000000 0.3749740 0.5182923), wk = 0.0037453 k( 183) = ( 0.5000000 0.3628781 0.5177022), wk = 0.0037453 k( 184) = ( 0.5000000 0.3507822 0.5171121), wk = 0.0037453 k( 185) = ( 0.5000000 0.3386862 0.5165220), wk = 0.0037453 k( 186) = ( 0.5000000 0.3265903 0.5159320), wk = 0.0037453 k( 187) = ( 0.5000000 0.3144943 0.5153419), wk = 0.0037453 k( 188) = ( 0.5000000 0.3023984 0.5147518), wk = 0.0037453 k( 189) = ( 0.5000000 0.2903025 0.5141618), wk = 0.0037453 k( 190) = ( 0.5000000 0.2782065 0.5135717), wk = 0.0037453 k( 191) = ( 0.5000000 0.2661106 0.5129816), wk = 0.0037453 k( 192) = ( 0.5000000 0.2540147 0.5123915), wk = 0.0037453 k( 193) = ( 0.5000000 0.2419187 0.5118015), wk = 0.0037453 k( 194) = ( 0.5000000 0.2298228 0.5112114), wk = 0.0037453 k( 195) = ( 0.5000000 0.2177269 0.5106213), wk = 0.0037453 k( 196) = ( 0.5000000 0.2056309 0.5100312), wk = 0.0037453 k( 197) = ( 0.5000000 0.1935350 0.5094412), wk = 0.0037453 k( 198) = ( 0.5000000 0.1814390 0.5088511), wk = 0.0037453 k( 199) = ( 0.5000000 0.1693431 0.5082610), wk = 0.0037453 k( 200) = ( 0.5000000 0.1572472 0.5076710), wk = 0.0037453 k( 201) = ( 0.5000000 0.1451512 0.5070809), wk = 0.0037453 k( 202) = ( 0.5000000 0.1330553 0.5064908), wk = 0.0037453 k( 203) = ( 0.5000000 0.1209594 0.5059007), wk = 0.0037453 k( 204) = ( 0.5000000 0.1088634 0.5053107), wk = 0.0037453 k( 205) = ( 0.5000000 0.0967675 0.5047206), wk = 0.0037453 k( 206) = ( 0.5000000 0.0846716 0.5041305), wk = 0.0037453 k( 207) = ( 0.5000000 0.0725756 0.5035404), wk = 0.0037453 k( 208) = ( 0.5000000 0.0604797 0.5029504), wk = 0.0037453 k( 209) = ( 0.5000000 0.0483838 0.5023603), wk = 0.0037453 k( 210) = ( 0.5000000 0.0362878 0.5017702), wk = 0.0037453 k( 211) = ( 0.5000000 0.0241919 0.5011802), wk = 0.0037453 k( 212) = ( 0.5000000 0.0120959 0.5005901), wk = 0.0037453 k( 213) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 k( 214) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 k( 215) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0037453 k( 216) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0037453 k( 217) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0037453 k( 218) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0037453 k( 219) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0037453 k( 220) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0037453 k( 221) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0037453 k( 222) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0037453 k( 223) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0037453 k( 224) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0037453 k( 225) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0037453 k( 226) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0037453 k( 227) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0037453 k( 228) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0037453 k( 229) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0037453 k( 230) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0037453 k( 231) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0037453 k( 232) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037453 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037453 k( 234) = ( 0.0147059 0.0000000 0.5000000), wk = 0.0037453 k( 235) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0037453 k( 236) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0037453 k( 237) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0037453 k( 238) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0037453 k( 239) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0037453 k( 240) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0037453 k( 241) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0037453 k( 242) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0037453 k( 243) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0037453 k( 244) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0037453 k( 245) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0037453 k( 246) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0037453 k( 247) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0037453 k( 248) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0037453 k( 249) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0037453 k( 250) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037453 k( 251) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0037453 k( 252) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0037453 k( 253) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0037453 k( 254) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0037453 k( 255) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0037453 k( 256) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0037453 k( 257) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0037453 k( 258) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0037453 k( 259) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0037453 k( 260) = ( 0.3970588 -0.0000000 0.5000000), wk = 0.0037453 k( 261) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0037453 k( 262) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0037453 k( 263) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0037453 k( 264) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0037453 k( 265) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0037453 k( 266) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0037453 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 Dense grid: 109557 G-vectors FFT dimensions: ( 54, 45, 100) Smooth grid: 47749 G-vectors FFT dimensions: ( 40, 32, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 350, 62) NL pseudopotentials 0.35 Mb ( 175, 132) Each V/rho on FFT grid 0.11 Mb ( 7290) Each G-vector array 0.02 Mb ( 3042) G-vector shells 0.02 Mb ( 2648) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 350, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.25 Mb ( 132, 2, 62) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./H5CNO2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 11.0 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.9 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.5 secs Computing kpt #: 21 total cpu time spent up to now is 16.4 secs Computing kpt #: 22 total cpu time spent up to now is 17.2 secs Computing kpt #: 23 total cpu time spent up to now is 18.0 secs Computing kpt #: 24 total cpu time spent up to now is 18.9 secs Computing kpt #: 25 total cpu time spent up to now is 19.7 secs Computing kpt #: 26 total cpu time spent up to now is 20.5 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 23.0 secs Computing kpt #: 30 total cpu time spent up to now is 23.9 secs Computing kpt #: 31 total cpu time spent up to now is 24.7 secs Computing kpt #: 32 total cpu time spent up to now is 25.5 secs Computing kpt #: 33 total cpu time spent up to now is 26.3 secs Computing kpt #: 34 total cpu time spent up to now is 27.1 secs Computing kpt #: 35 total cpu time spent up to now is 27.9 secs Computing kpt #: 36 total cpu time spent up to now is 28.8 secs Computing kpt #: 37 total cpu time spent up to now is 29.6 secs Computing kpt #: 38 total cpu time spent up to now is 30.5 secs Computing kpt #: 39 total cpu time spent up to now is 31.3 secs Computing kpt #: 40 total cpu time spent up to now is 32.1 secs Computing kpt #: 41 total cpu time spent up to now is 33.0 secs Computing kpt #: 42 total cpu time spent up to now is 33.9 secs Computing kpt #: 43 total cpu time spent up to now is 34.8 secs Computing kpt #: 44 total cpu time spent up to now is 35.7 secs Computing kpt #: 45 total cpu time spent up to now is 36.8 secs Computing kpt #: 46 total cpu time spent up to now is 37.7 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 39.8 secs Computing kpt #: 48 total cpu time spent up to now is 41.3 secs Computing kpt #: 49 total cpu time spent up to now is 42.2 secs Computing kpt #: 50 total cpu time spent up to now is 43.1 secs Computing kpt #: 51 total cpu time spent up to now is 43.9 secs Computing kpt #: 52 total cpu time spent up to now is 44.7 secs Computing kpt #: 53 total cpu time spent up to now is 45.5 secs Computing kpt #: 54 total cpu time spent up to now is 46.3 secs Computing kpt #: 55 total cpu time spent up to now is 47.1 secs Computing kpt #: 56 total cpu time spent up to now is 48.0 secs Computing kpt #: 57 total cpu time spent up to now is 48.8 secs Computing kpt #: 58 total cpu time spent up to now is 49.7 secs Computing kpt #: 59 total cpu time spent up to now is 50.5 secs Computing kpt #: 60 total cpu time spent up to now is 51.4 secs Computing kpt #: 61 total cpu time spent up to now is 52.3 secs Computing kpt #: 62 total cpu time spent up to now is 53.2 secs Computing kpt #: 63 total cpu time spent up to now is 54.1 secs Computing kpt #: 64 total cpu time spent up to now is 55.1 secs Computing kpt #: 65 total cpu time spent up to now is 56.3 secs Computing kpt #: 66 total cpu time spent up to now is 57.3 secs Computing kpt #: 67 total cpu time spent up to now is 58.2 secs Computing kpt #: 68 total cpu time spent up to now is 59.2 secs Computing kpt #: 69 total cpu time spent up to now is 60.1 secs Computing kpt #: 70 total cpu time spent up to now is 61.0 secs Computing kpt #: 71 total cpu time spent up to now is 61.9 secs Computing kpt #: 72 total cpu time spent up to now is 62.9 secs Computing kpt #: 73 total cpu time spent up to now is 63.8 secs Computing kpt #: 74 total cpu time spent up to now is 64.7 secs Computing kpt #: 75 total cpu time spent up to now is 65.5 secs Computing kpt #: 76 total cpu time spent up to now is 66.4 secs Computing kpt #: 77 total cpu time spent up to now is 67.3 secs Computing kpt #: 78 total cpu time spent up to now is 68.2 secs Computing kpt #: 79 total cpu time spent up to now is 69.1 secs Computing kpt #: 80 total cpu time spent up to now is 70.0 secs Computing kpt #: 81 total cpu time spent up to now is 70.9 secs Computing kpt #: 82 total cpu time spent up to now is 71.8 secs Computing kpt #: 83 total cpu time spent up to now is 72.7 secs Computing kpt #: 84 total cpu time spent up to now is 73.6 secs Computing kpt #: 85 total cpu time spent up to now is 74.5 secs Computing kpt #: 86 total cpu time spent up to now is 75.4 secs Computing kpt #: 87 total cpu time spent up to now is 76.3 secs Computing kpt #: 88 total cpu time spent up to now is 77.1 secs Computing kpt #: 89 total cpu time spent up to now is 78.0 secs Computing kpt #: 90 total cpu time spent up to now is 78.9 secs Computing kpt #: 91 total cpu time spent up to now is 79.8 secs Computing kpt #: 92 total cpu time spent up to now is 80.7 secs Computing kpt #: 93 total cpu time spent up to now is 81.6 secs Computing kpt #: 94 total cpu time spent up to now is 82.5 secs Computing kpt #: 95 total cpu time spent up to now is 83.5 secs Computing kpt #: 96 total cpu time spent up to now is 84.4 secs Computing kpt #: 97 total cpu time spent up to now is 85.3 secs Computing kpt #: 98 total cpu time spent up to now is 86.2 secs Computing kpt #: 99 total cpu time spent up to now is 87.2 secs Computing kpt #: 100 total cpu time spent up to now is 88.2 secs Computing kpt #: 101 total cpu time spent up to now is 89.1 secs Computing kpt #: 102 total cpu time spent up to now is 90.0 secs Computing kpt #: 103 total cpu time spent up to now is 90.9 secs Computing kpt #: 104 total cpu time spent up to now is 91.7 secs Computing kpt #: 105 total cpu time spent up to now is 92.6 secs Computing kpt #: 106 total cpu time spent up to now is 93.5 secs Computing kpt #: 107 total cpu time spent up to now is 94.4 secs Computing kpt #: 108 total cpu time spent up to now is 95.2 secs Computing kpt #: 109 total cpu time spent up to now is 96.1 secs Computing kpt #: 110 total cpu time spent up to now is 96.9 secs Computing kpt #: 111 total cpu time spent up to now is 97.8 secs Computing kpt #: 112 total cpu time spent up to now is 98.6 secs Computing kpt #: 113 total cpu time spent up to now is 99.5 secs Computing kpt #: 114 total cpu time spent up to now is 100.3 secs Computing kpt #: 115 total cpu time spent up to now is 101.1 secs Computing kpt #: 116 total cpu time spent up to now is 101.9 secs Computing kpt #: 117 total cpu time spent up to now is 102.7 secs Computing kpt #: 118 total cpu time spent up to now is 103.6 secs Computing kpt #: 119 total cpu time spent up to now is 104.4 secs Computing kpt #: 120 total cpu time spent up to now is 105.2 secs Computing kpt #: 121 total cpu time spent up to now is 106.1 secs Computing kpt #: 122 total cpu time spent up to now is 106.9 secs Computing kpt #: 123 total cpu time spent up to now is 107.7 secs Computing kpt #: 124 total cpu time spent up to now is 108.5 secs Computing kpt #: 125 total cpu time spent up to now is 109.4 secs Computing kpt #: 126 total cpu time spent up to now is 110.2 secs Computing kpt #: 127 total cpu time spent up to now is 111.0 secs Computing kpt #: 128 total cpu time spent up to now is 111.8 secs Computing kpt #: 129 total cpu time spent up to now is 112.6 secs Computing kpt #: 130 total cpu time spent up to now is 113.4 secs Computing kpt #: 131 total cpu time spent up to now is 114.3 secs Computing kpt #: 132 total cpu time spent up to now is 115.1 secs Computing kpt #: 133 total cpu time spent up to now is 115.9 secs Computing kpt #: 134 total cpu time spent up to now is 116.7 secs Computing kpt #: 135 total cpu time spent up to now is 117.5 secs Computing kpt #: 136 total cpu time spent up to now is 118.3 secs Computing kpt #: 137 total cpu time spent up to now is 119.2 secs Computing kpt #: 138 total cpu time spent up to now is 120.0 secs Computing kpt #: 139 total cpu time spent up to now is 120.8 secs Computing kpt #: 140 total cpu time spent up to now is 121.6 secs Computing kpt #: 141 total cpu time spent up to now is 122.4 secs Computing kpt #: 142 total cpu time spent up to now is 123.2 secs Computing kpt #: 143 total cpu time spent up to now is 124.0 secs Computing kpt #: 144 total cpu time spent up to now is 124.8 secs Computing kpt #: 145 total cpu time spent up to now is 125.6 secs Computing kpt #: 146 total cpu time spent up to now is 126.4 secs Computing kpt #: 147 total cpu time spent up to now is 127.2 secs Computing kpt #: 148 total cpu time spent up to now is 128.1 secs Computing kpt #: 149 total cpu time spent up to now is 128.9 secs Computing kpt #: 150 total cpu time spent up to now is 129.7 secs Computing kpt #: 151 total cpu time spent up to now is 130.5 secs Computing kpt #: 152 total cpu time spent up to now is 131.3 secs Computing kpt #: 153 total cpu time spent up to now is 132.1 secs Computing kpt #: 154 total cpu time spent up to now is 132.9 secs Computing kpt #: 155 total cpu time spent up to now is 133.7 secs Computing kpt #: 156 total cpu time spent up to now is 134.6 secs Computing kpt #: 157 total cpu time spent up to now is 135.3 secs Computing kpt #: 158 total cpu time spent up to now is 136.1 secs Computing kpt #: 159 total cpu time spent up to now is 137.0 secs Computing kpt #: 160 total cpu time spent up to now is 137.8 secs Computing kpt #: 161 total cpu time spent up to now is 138.6 secs Computing kpt #: 162 total cpu time spent up to now is 139.5 secs Computing kpt #: 163 total cpu time spent up to now is 140.4 secs Computing kpt #: 164 total cpu time spent up to now is 141.2 secs Computing kpt #: 165 total cpu time spent up to now is 142.0 secs Computing kpt #: 166 total cpu time spent up to now is 142.9 secs Computing kpt #: 167 total cpu time spent up to now is 143.7 secs Computing kpt #: 168 total cpu time spent up to now is 144.5 secs Computing kpt #: 169 total cpu time spent up to now is 145.4 secs Computing kpt #: 170 total cpu time spent up to now is 146.2 secs Computing kpt #: 171 total cpu time spent up to now is 147.1 secs Computing kpt #: 172 total cpu time spent up to now is 148.0 secs Computing kpt #: 173 total cpu time spent up to now is 149.0 secs Computing kpt #: 174 total cpu time spent up to now is 149.9 secs Computing kpt #: 175 total cpu time spent up to now is 150.8 secs Computing kpt #: 176 total cpu time spent up to now is 151.6 secs Computing kpt #: 177 total cpu time spent up to now is 152.5 secs Computing kpt #: 178 total cpu time spent up to now is 153.4 secs Computing kpt #: 179 total cpu time spent up to now is 154.3 secs Computing kpt #: 180 total cpu time spent up to now is 155.2 secs Computing kpt #: 181 total cpu time spent up to now is 156.0 secs Computing kpt #: 182 total cpu time spent up to now is 156.9 secs Computing kpt #: 183 total cpu time spent up to now is 157.7 secs Computing kpt #: 184 total cpu time spent up to now is 158.6 secs Computing kpt #: 185 total cpu time spent up to now is 159.4 secs Computing kpt #: 186 total cpu time spent up to now is 160.2 secs Computing kpt #: 187 total cpu time spent up to now is 161.1 secs Computing kpt #: 188 total cpu time spent up to now is 161.9 secs Computing kpt #: 189 total cpu time spent up to now is 162.8 secs Computing kpt #: 190 total cpu time spent up to now is 163.6 secs Computing kpt #: 191 total cpu time spent up to now is 164.4 secs Computing kpt #: 192 total cpu time spent up to now is 165.2 secs Computing kpt #: 193 total cpu time spent up to now is 166.1 secs Computing kpt #: 194 total cpu time spent up to now is 166.9 secs Computing kpt #: 195 total cpu time spent up to now is 167.7 secs Computing kpt #: 196 total cpu time spent up to now is 168.6 secs Computing kpt #: 197 total cpu time spent up to now is 169.3 secs Computing kpt #: 198 total cpu time spent up to now is 170.1 secs Computing kpt #: 199 total cpu time spent up to now is 170.9 secs Computing kpt #: 200 total cpu time spent up to now is 171.7 secs Computing kpt #: 201 total cpu time spent up to now is 172.6 secs Computing kpt #: 202 total cpu time spent up to now is 173.3 secs Computing kpt #: 203 total cpu time spent up to now is 174.1 secs Computing kpt #: 204 total cpu time spent up to now is 174.9 secs Computing kpt #: 205 total cpu time spent up to now is 175.6 secs Computing kpt #: 206 total cpu time spent up to now is 176.4 secs Computing kpt #: 207 total cpu time spent up to now is 177.2 secs Computing kpt #: 208 total cpu time spent up to now is 178.0 secs Computing kpt #: 209 total cpu time spent up to now is 178.9 secs Computing kpt #: 210 total cpu time spent up to now is 179.7 secs Computing kpt #: 211 total cpu time spent up to now is 180.5 secs Computing kpt #: 212 total cpu time spent up to now is 181.3 secs Computing kpt #: 213 total cpu time spent up to now is 182.2 secs Computing kpt #: 214 total cpu time spent up to now is 183.0 secs Computing kpt #: 215 total cpu time spent up to now is 183.8 secs Computing kpt #: 216 total cpu time spent up to now is 184.7 secs Computing kpt #: 217 total cpu time spent up to now is 185.5 secs Computing kpt #: 218 total cpu time spent up to now is 186.2 secs Computing kpt #: 219 total cpu time spent up to now is 187.0 secs Computing kpt #: 220 total cpu time spent up to now is 187.9 secs Computing kpt #: 221 total cpu time spent up to now is 188.7 secs Computing kpt #: 222 total cpu time spent up to now is 189.5 secs Computing kpt #: 223 total cpu time spent up to now is 190.3 secs Computing kpt #: 224 total cpu time spent up to now is 191.1 secs Computing kpt #: 225 total cpu time spent up to now is 192.0 secs Computing kpt #: 226 total cpu time spent up to now is 192.7 secs Computing kpt #: 227 total cpu time spent up to now is 193.5 secs Computing kpt #: 228 total cpu time spent up to now is 194.3 secs Computing kpt #: 229 total cpu time spent up to now is 195.2 secs Computing kpt #: 230 total cpu time spent up to now is 196.0 secs Computing kpt #: 231 total cpu time spent up to now is 196.8 secs Computing kpt #: 232 total cpu time spent up to now is 197.6 secs Computing kpt #: 233 total cpu time spent up to now is 198.4 secs Computing kpt #: 234 total cpu time spent up to now is 199.1 secs Computing kpt #: 235 total cpu time spent up to now is 199.9 secs Computing kpt #: 236 total cpu time spent up to now is 200.7 secs Computing kpt #: 237 total cpu time spent up to now is 201.5 secs Computing kpt #: 238 total cpu time spent up to now is 202.3 secs Computing kpt #: 239 total cpu time spent up to now is 203.1 secs Computing kpt #: 240 total cpu time spent up to now is 204.0 secs Computing kpt #: 241 total cpu time spent up to now is 204.9 secs Computing kpt #: 242 total cpu time spent up to now is 205.7 secs Computing kpt #: 243 total cpu time spent up to now is 206.6 secs Computing kpt #: 244 total cpu time spent up to now is 207.4 secs Computing kpt #: 245 total cpu time spent up to now is 208.2 secs Computing kpt #: 246 total cpu time spent up to now is 209.0 secs Computing kpt #: 247 total cpu time spent up to now is 209.9 secs Computing kpt #: 248 total cpu time spent up to now is 210.7 secs Computing kpt #: 249 total cpu time spent up to now is 211.5 secs Computing kpt #: 250 total cpu time spent up to now is 212.3 secs Computing kpt #: 251 total cpu time spent up to now is 213.2 secs Computing kpt #: 252 total cpu time spent up to now is 213.9 secs Computing kpt #: 253 total cpu time spent up to now is 214.7 secs Computing kpt #: 254 total cpu time spent up to now is 215.7 secs Computing kpt #: 255 total cpu time spent up to now is 216.6 secs Computing kpt #: 256 total cpu time spent up to now is 217.4 secs Computing kpt #: 257 total cpu time spent up to now is 218.3 secs Computing kpt #: 258 total cpu time spent up to now is 219.2 secs Computing kpt #: 259 total cpu time spent up to now is 220.1 secs Computing kpt #: 260 total cpu time spent up to now is 220.9 secs Computing kpt #: 261 total cpu time spent up to now is 221.8 secs Computing kpt #: 262 total cpu time spent up to now is 222.6 secs Computing kpt #: 263 total cpu time spent up to now is 223.4 secs Computing kpt #: 264 total cpu time spent up to now is 224.2 secs Computing kpt #: 265 total cpu time spent up to now is 224.9 secs Computing kpt #: 266 total cpu time spent up to now is 225.8 secs Computing kpt #: 267 total cpu time spent up to now is 226.6 secs ethr = 1.92E-08, avg # of iterations = 24.4 total cpu time spent up to now is 226.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5961 PWs) bands (ev): -21.0374 -21.0374 -20.9312 -20.9312 -20.1867 -20.1867 -20.0643 -20.0643 -18.4502 -18.4502 -18.4406 -18.4406 -9.4102 -9.4102 -9.3622 -9.3622 -9.2404 -9.2404 -9.1118 -9.1118 -8.9107 -8.9107 -8.8496 -8.8496 -8.7184 -8.7184 -8.7003 -8.7003 -5.8311 -5.8311 -5.5145 -5.5145 -4.7439 -4.7439 -4.6879 -4.6879 -4.2759 -4.2759 -4.2251 -4.2251 -1.0471 -1.0471 -0.9811 -0.9811 -0.7594 -0.7594 -0.6045 -0.6045 -0.4152 -0.4152 -0.3151 -0.3151 5.5273 5.5273 5.5876 5.5876 5.5942 5.5942 6.5716 6.5716 7.3668 7.3668 k = 0.0000 0.0000 0.0143 ( 5968 PWs) bands (ev): -21.0372 -21.0372 -20.9314 -20.9314 -20.1865 -20.1865 -20.0645 -20.0645 -18.4502 -18.4502 -18.4406 -18.4406 -9.4100 -9.4100 -9.3622 -9.3621 -9.2404 -9.2403 -9.1122 -9.1122 -8.9107 -8.9106 -8.8497 -8.8497 -8.7183 -8.7183 -8.7004 -8.7004 -5.8305 -5.8305 -5.5151 -5.5150 -4.7438 -4.7438 -4.6880 -4.6879 -4.2758 -4.2758 -4.2253 -4.2252 -1.0470 -1.0469 -0.9812 -0.9812 -0.7590 -0.7589 -0.6045 -0.6043 -0.4155 -0.4154 -0.3156 -0.3155 5.5277 5.5277 5.5876 5.5876 5.5951 5.5951 6.5672 6.5672 7.3724 7.3724 k = 0.0000 0.0000 0.0285 ( 5974 PWs) bands (ev): -21.0367 -21.0367 -20.9321 -20.9321 -20.1857 -20.1857 -20.0652 -20.0652 -18.4501 -18.4501 -18.4407 -18.4407 -9.4094 -9.4093 -9.3621 -9.3621 -9.2401 -9.2400 -9.1134 -9.1133 -8.9104 -8.9104 -8.8502 -8.8502 -8.7182 -8.7182 -8.7004 -8.7004 -5.8286 -5.8286 -5.5168 -5.5168 -4.7435 -4.7434 -4.6884 -4.6882 -4.2755 -4.2754 -4.2255 -4.2255 -1.0466 -1.0465 -0.9816 -0.9815 -0.7577 -0.7575 -0.6043 -0.6039 -0.4164 -0.4161 -0.3168 -0.3167 5.5287 5.5287 5.5874 5.5875 5.5982 5.5982 6.5544 6.5545 7.3888 7.3888 k = 0.0000 0.0000 0.0428 ( 5975 PWs) bands (ev): -21.0358 -21.0358 -20.9333 -20.9333 -20.1844 -20.1844 -20.0662 -20.0662 -18.4500 -18.4500 -18.4408 -18.4408 -9.4084 -9.4082 -9.3621 -9.3620 -9.2397 -9.2394 -9.1152 -9.1151 -8.9100 -8.9100 -8.8510 -8.8509 -8.7179 -8.7179 -8.7005 -8.7005 -5.8255 -5.8255 -5.5197 -5.5197 -4.7430 -4.7429 -4.6890 -4.6887 -4.2750 -4.2748 -4.2260 -4.2259 -1.0459 -1.0458 -0.9822 -0.9821 -0.7555 -0.7552 -0.6039 -0.6033 -0.4177 -0.4173 -0.3189 -0.3187 5.5302 5.5303 5.5872 5.5872 5.6034 5.6035 6.5342 6.5342 7.4151 7.4151 k = 0.0000 0.0000 0.0571 ( 5980 PWs) bands (ev): -21.0346 -21.0346 -20.9349 -20.9349 -20.1826 -20.1825 -20.0676 -20.0676 -18.4499 -18.4499 -18.4409 -18.4409 -9.4069 -9.4067 -9.3621 -9.3620 -9.2390 -9.2386 -9.1178 -9.1176 -8.9095 -8.9094 -8.8520 -8.8520 -8.7175 -8.7175 -8.7007 -8.7007 -5.8212 -5.8212 -5.5238 -5.5237 -4.7423 -4.7421 -4.6897 -4.6895 -4.2743 -4.2741 -4.2266 -4.2264 -1.0450 -1.0449 -0.9830 -0.9828 -0.7525 -0.7521 -0.6034 -0.6027 -0.4195 -0.4190 -0.3217 -0.3214 5.5322 5.5322 5.5867 5.5867 5.6111 5.6111 6.5077 6.5078 7.4500 7.4501 k = 0.0000 0.0000 0.0713 ( 5982 PWs) bands (ev): -21.0330 -21.0330 -20.9369 -20.9369 -20.1802 -20.1802 -20.0695 -20.0695 -18.4498 -18.4498 -18.4411 -18.4411 -9.4051 -9.4048 -9.3620 -9.3619 -9.2380 -9.2376 -9.1210 -9.1208 -8.9087 -8.9086 -8.8534 -8.8533 -8.7170 -8.7170 -8.7008 -8.7008 -5.8158 -5.8157 -5.5289 -5.5288 -4.7414 -4.7411 -4.6907 -4.6904 -4.2734 -4.2731 -4.2274 -4.2272 -1.0438 -1.0437 -0.9839 -0.9838 -0.7487 -0.7481 -0.6029 -0.6020 -0.4216 -0.4209 -0.3252 -0.3249 5.5344 5.5344 5.5860 5.5861 5.6212 5.6212 6.4764 6.4765 7.4922 7.4923 k = 0.0000 0.0000 0.0856 ( 5987 PWs) bands (ev): -21.0311 -21.0311 -20.9394 -20.9394 -20.1775 -20.1775 -20.0717 -20.0717 -18.4496 -18.4496 -18.4413 -18.4413 -9.4029 -9.4026 -9.3620 -9.3618 -9.2368 -9.2364 -9.1249 -9.1246 -8.9078 -8.9077 -8.8549 -8.8548 -8.7165 -8.7164 -8.7010 -8.7010 -5.8092 -5.8091 -5.5351 -5.5350 -4.7403 -4.7400 -4.6919 -4.6915 -4.2722 -4.2719 -4.2283 -4.2281 -1.0424 -1.0422 -0.9852 -0.9849 -0.7440 -0.7434 -0.6025 -0.6014 -0.4238 -0.4230 -0.3294 -0.3291 5.5367 5.5368 5.5852 5.5853 5.6338 5.6339 6.4413 6.4414 7.5405 7.5406 k = 0.0000 0.0000 0.0999 ( 5987 PWs) bands (ev): -21.0289 -21.0289 -20.9422 -20.9422 -20.1743 -20.1743 -20.0743 -20.0743 -18.4494 -18.4494 -18.4415 -18.4415 -9.4005 -9.4001 -9.3620 -9.3618 -9.2354 -9.2348 -9.1293 -9.1290 -8.9068 -8.9066 -8.8567 -8.8566 -8.7158 -8.7158 -8.7013 -8.7013 -5.8015 -5.8015 -5.5424 -5.5423 -4.7390 -4.7387 -4.6933 -4.6928 -4.2709 -4.2706 -4.2294 -4.2291 -1.0408 -1.0405 -0.9866 -0.9863 -0.7386 -0.7378 -0.6023 -0.6010 -0.4261 -0.4251 -0.3343 -0.3339 5.5391 5.5391 5.5842 5.5843 5.6490 5.6490 6.4036 6.4037 7.5938 7.5940 k = 0.0000 0.0000 0.1141 ( 5980 PWs) bands (ev): -21.0264 -21.0264 -20.9454 -20.9453 -20.1707 -20.1707 -20.0772 -20.0772 -18.4491 -18.4491 -18.4418 -18.4418 -9.3978 -9.3974 -9.3620 -9.3618 -9.2336 -9.2330 -9.1342 -9.1339 -8.9055 -8.9053 -8.8588 -8.8586 -8.7151 -8.7151 -8.7016 -8.7016 -5.7929 -5.7928 -5.5506 -5.5504 -4.7376 -4.7371 -4.6948 -4.6943 -4.2694 -4.2691 -4.2307 -4.2303 -1.0389 -1.0387 -0.9882 -0.9879 -0.7324 -0.7315 -0.6024 -0.6010 -0.4282 -0.4271 -0.3398 -0.3393 5.5415 5.5415 5.5831 5.5832 5.6666 5.6667 6.3640 6.3641 7.6515 7.6517 k = 0.0000 0.0000 0.1284 ( 5982 PWs) bands (ev): -21.0236 -21.0236 -20.9488 -20.9488 -20.1667 -20.1667 -20.0805 -20.0805 -18.4488 -18.4488 -18.4420 -18.4420 -9.3949 -9.3944 -9.3621 -9.3619 -9.2315 -9.2309 -9.1396 -9.1392 -8.9041 -8.9039 -8.8610 -8.8608 -8.7143 -8.7143 -8.7019 -8.7019 -5.7833 -5.7832 -5.5597 -5.5595 -4.7359 -4.7355 -4.6965 -4.6959 -4.2678 -4.2674 -4.2320 -4.2317 -1.0369 -1.0366 -0.9900 -0.9897 -0.7256 -0.7246 -0.6031 -0.6015 -0.4299 -0.4287 -0.3458 -0.3452 5.5439 5.5439 5.5818 5.5819 5.6866 5.6867 6.3232 6.3233 7.7127 7.7129 k = 0.0000 0.0000 0.1427 ( 5973 PWs) bands (ev): -21.0205 -21.0205 -20.9526 -20.9526 -20.1625 -20.1625 -20.0842 -20.0841 -18.4485 -18.4485 -18.4424 -18.4423 -9.3919 -9.3914 -9.3623 -9.3620 -9.2291 -9.2284 -9.1454 -9.1449 -8.9025 -8.9023 -8.8633 -8.8631 -8.7135 -8.7135 -8.7023 -8.7023 -5.7729 -5.7728 -5.5697 -5.5695 -4.7342 -4.7337 -4.6983 -4.6977 -4.2661 -4.2656 -4.2336 -4.2332 -1.0346 -1.0343 -0.9920 -0.9917 -0.7182 -0.7171 -0.6045 -0.6027 -0.4311 -0.4298 -0.3522 -0.3515 5.5463 5.5463 5.5804 5.5805 5.7090 5.7091 6.2816 6.2817 7.7770 7.7773 k = 0.0000 0.0000 0.1569 ( 5975 PWs) bands (ev): -21.0171 -21.0171 -20.9566 -20.9566 -20.1579 -20.1579 -20.0881 -20.0881 -18.4482 -18.4482 -18.4427 -18.4427 -9.3888 -9.3883 -9.3626 -9.3623 -9.2263 -9.2256 -9.1514 -9.1509 -8.9008 -8.9005 -8.8658 -8.8656 -8.7127 -8.7127 -8.7027 -8.7027 -5.7617 -5.7616 -5.5804 -5.5802 -4.7322 -4.7317 -4.7003 -4.6997 -4.2642 -4.2637 -4.2352 -4.2348 -1.0322 -1.0319 -0.9941 -0.9938 -0.7102 -0.7090 -0.6067 -0.6048 -0.4316 -0.4301 -0.3590 -0.3583 5.5487 5.5487 5.5789 5.5790 5.7335 5.7336 6.2396 6.2397 7.8439 7.8442 k = 0.0000 0.0000 0.1712 ( 5982 PWs) bands (ev): -21.0135 -21.0135 -20.9608 -20.9608 -20.1531 -20.1531 -20.0923 -20.0923 -18.4478 -18.4478 -18.4430 -18.4430 -9.3857 -9.3852 -9.3631 -9.3627 -9.2232 -9.2224 -9.1577 -9.1571 -8.8989 -8.8986 -8.8684 -8.8682 -8.7118 -8.7118 -8.7032 -8.7032 -5.7499 -5.7497 -5.5918 -5.5917 -4.7302 -4.7296 -4.7024 -4.7017 -4.2622 -4.2617 -4.2370 -4.2365 -1.0297 -1.0293 -0.9965 -0.9961 -0.7018 -0.7006 -0.6098 -0.6079 -0.4311 -0.4296 -0.3661 -0.3653 5.5511 5.5511 5.5772 5.5773 5.7601 5.7602 6.1976 6.1978 7.9131 7.9135 k = 0.0000 0.0000 0.1855 ( 5986 PWs) bands (ev): -21.0097 -21.0097 -20.9651 -20.9651 -20.1481 -20.1481 -20.0967 -20.0967 -18.4475 -18.4475 -18.4434 -18.4434 -9.3827 -9.3821 -9.3637 -9.3633 -9.2196 -9.2188 -9.1641 -9.1635 -8.8968 -8.8966 -8.8711 -8.8708 -8.7110 -8.7110 -8.7037 -8.7037 -5.7375 -5.7373 -5.6039 -5.6037 -4.7281 -4.7275 -4.7046 -4.7039 -4.2601 -4.2596 -4.2388 -4.2384 -1.0270 -1.0266 -0.9989 -0.9985 -0.6931 -0.6917 -0.6140 -0.6120 -0.4297 -0.4282 -0.3733 -0.3724 5.5535 5.5535 5.5755 5.5755 5.7887 5.7888 6.1558 6.1560 7.9843 7.9847 k = 0.0000 0.0000 0.1997 ( 5979 PWs) bands (ev): -21.0056 -21.0056 -20.9696 -20.9696 -20.1430 -20.1430 -20.1014 -20.1014 -18.4471 -18.4471 -18.4438 -18.4438 -9.3798 -9.3792 -9.3645 -9.3641 -9.2156 -9.2147 -9.1706 -9.1699 -8.8947 -8.8944 -8.8738 -8.8735 -8.7101 -8.7101 -8.7043 -8.7043 -5.7246 -5.7244 -5.6165 -5.6163 -4.7258 -4.7252 -4.7068 -4.7061 -4.2580 -4.2575 -4.2408 -4.2403 -1.0243 -1.0239 -1.0015 -1.0011 -0.6841 -0.6826 -0.6192 -0.6171 -0.4272 -0.4257 -0.3806 -0.3797 5.5558 5.5558 5.5736 5.5736 5.8192 5.8193 6.1145 6.1146 8.0573 8.0577 k = 0.0000 0.0000 0.2140 ( 5983 PWs) bands (ev): -21.0014 -21.0014 -20.9742 -20.9742 -20.1377 -20.1377 -20.1063 -20.1063 -18.4467 -18.4467 -18.4442 -18.4442 -9.3770 -9.3765 -9.3656 -9.3651 -9.2111 -9.2103 -9.1770 -9.1763 -8.8923 -8.8920 -8.8765 -8.8763 -8.7093 -8.7093 -8.7049 -8.7049 -5.7113 -5.7111 -5.6295 -5.6293 -4.7235 -4.7229 -4.7091 -4.7084 -4.2559 -4.2553 -4.2428 -4.2423 -1.0214 -1.0210 -1.0042 -1.0038 -0.6750 -0.6734 -0.6253 -0.6232 -0.4238 -0.4223 -0.3879 -0.3869 5.5582 5.5582 5.5716 5.5716 5.8513 5.8515 6.0738 6.0739 8.1317 8.1321 k = 0.0000 0.0000 0.2283 ( 5985 PWs) bands (ev): -20.9971 -20.9971 -20.9788 -20.9788 -20.1324 -20.1324 -20.1113 -20.1113 -18.4463 -18.4463 -18.4446 -18.4446 -9.3745 -9.3739 -9.3668 -9.3664 -9.2063 -9.2054 -9.1834 -9.1826 -8.8899 -8.8896 -8.8793 -8.8790 -8.7085 -8.7085 -8.7055 -8.7055 -5.6977 -5.6975 -5.6429 -5.6427 -4.7212 -4.7205 -4.7115 -4.7108 -4.2536 -4.2531 -4.2449 -4.2444 -1.0186 -1.0181 -1.0070 -1.0066 -0.6659 -0.6642 -0.6322 -0.6303 -0.4194 -0.4180 -0.3951 -0.3939 5.5605 5.5606 5.5695 5.5695 5.8851 5.8853 6.0339 6.0340 8.2073 8.2078 k = 0.0000 0.0000 0.2425 ( 5985 PWs) bands (ev): -20.9926 -20.9926 -20.9834 -20.9834 -20.1271 -20.1271 -20.1165 -20.1165 -18.4459 -18.4459 -18.4450 -18.4450 -9.3722 -9.3716 -9.3684 -9.3678 -9.2010 -9.2002 -9.1895 -9.1888 -8.8874 -8.8871 -8.8820 -8.8817 -8.7077 -8.7077 -8.7062 -8.7062 -5.6840 -5.6838 -5.6565 -5.6563 -4.7188 -4.7181 -4.7139 -4.7132 -4.2514 -4.2509 -4.2470 -4.2465 -1.0157 -1.0152 -1.0098 -1.0094 -0.6569 -0.6551 -0.6399 -0.6380 -0.4142 -0.4129 -0.4019 -0.4007 5.5628 5.5629 5.5673 5.5674 5.9204 5.9206 5.9949 5.9951 8.2840 8.2844 k = 0.0000 0.0000 0.2568 ( 5992 PWs) bands (ev): -20.9881 -20.9881 -20.9881 -20.9881 -20.1218 -20.1218 -20.1218 -20.1218 -18.4455 -18.4455 -18.4455 -18.4455 -9.3701 -9.3701 -9.3696 -9.3696 -9.1954 -9.1954 -9.1946 -9.1946 -8.8847 -8.8847 -8.8844 -8.8844 -8.7070 -8.7070 -8.7069 -8.7069 -5.6702 -5.6702 -5.6700 -5.6700 -4.7164 -4.7164 -4.7156 -4.7156 -4.2492 -4.2492 -4.2487 -4.2487 -1.0127 -1.0127 -1.0123 -1.0123 -0.6482 -0.6482 -0.6464 -0.6464 -0.4083 -0.4083 -0.4070 -0.4070 5.5651 5.5651 5.5652 5.5652 5.9570 5.9570 5.9572 5.9572 8.3614 8.3616 k = 0.0000 0.0000 0.2568 ( 5992 PWs) bands (ev): -20.9881 -20.9881 -20.9881 -20.9881 -20.1218 -20.1218 -20.1218 -20.1218 -18.4455 -18.4455 -18.4455 -18.4455 -9.3701 -9.3701 -9.3696 -9.3696 -9.1954 -9.1954 -9.1946 -9.1946 -8.8847 -8.8847 -8.8844 -8.8844 -8.7070 -8.7070 -8.7069 -8.7069 -5.6702 -5.6702 -5.6700 -5.6700 -4.7164 -4.7164 -4.7156 -4.7156 -4.2492 -4.2492 -4.2487 -4.2487 -1.0127 -1.0127 -1.0123 -1.0123 -0.6482 -0.6482 -0.6464 -0.6464 -0.4083 -0.4083 -0.4070 -0.4070 5.5651 5.5651 5.5652 5.5652 5.9570 5.9570 5.9572 5.9572 8.3613 8.3618 k = 0.0000 0.0148 0.2568 ( 5979 PWs) bands (ev): -20.9890 -20.9890 -20.9867 -20.9867 -20.1243 -20.1243 -20.1194 -20.1194 -18.4470 -18.4470 -18.4439 -18.4439 -9.3724 -9.3718 -9.3678 -9.3674 -9.1977 -9.1969 -9.1930 -9.1922 -8.8867 -8.8861 -8.8838 -8.8837 -8.7090 -8.7087 -8.7047 -8.7044 -5.6740 -5.6738 -5.6665 -5.6663 -4.7177 -4.7171 -4.7151 -4.7143 -4.2502 -4.2500 -4.2496 -4.2495 -1.0144 -1.0140 -1.0114 -1.0109 -0.6531 -0.6512 -0.6429 -0.6411 -0.4089 -0.4081 -0.4077 -0.4067 5.5608 5.5610 5.5682 5.5683 5.9511 5.9511 5.9666 5.9670 8.3541 8.3547 k = 0.0000 0.0297 0.2568 ( 5974 PWs) bands (ev): -20.9897 -20.9897 -20.9851 -20.9851 -20.1269 -20.1269 -20.1172 -20.1172 -18.4485 -18.4485 -18.4422 -18.4422 -9.3747 -9.3740 -9.3655 -9.3651 -9.2000 -9.1992 -9.1906 -9.1897 -8.8898 -8.8888 -8.8840 -8.8836 -8.7107 -8.7101 -8.7022 -8.7016 -5.6777 -5.6775 -5.6627 -5.6626 -4.7191 -4.7186 -4.7140 -4.7131 -4.2528 -4.2526 -4.2523 -4.2521 -1.0163 -1.0160 -1.0104 -1.0099 -0.6576 -0.6556 -0.6372 -0.6354 -0.4098 -0.4086 -0.4081 -0.4066 5.5556 5.5559 5.5700 5.5703 5.9488 5.9491 5.9797 5.9802 8.3499 8.3505 k = 0.0000 0.0445 0.2568 ( 5970 PWs) bands (ev): -20.9900 -20.9900 -20.9831 -20.9831 -20.1296 -20.1296 -20.1152 -20.1152 -18.4499 -18.4499 -18.4406 -18.4406 -9.3769 -9.3762 -9.3630 -9.3627 -9.2021 -9.2013 -9.1881 -9.1872 -8.8939 -8.8925 -8.8851 -8.8844 -8.7119 -8.7110 -8.6993 -8.6985 -5.6813 -5.6811 -5.6590 -5.6589 -4.7207 -4.7202 -4.7130 -4.7120 -4.2572 -4.2569 -4.2566 -4.2564 -1.0186 -1.0183 -1.0099 -1.0092 -0.6615 -0.6595 -0.6311 -0.6294 -0.4109 -0.4098 -0.4084 -0.4069 5.5497 5.5501 5.5703 5.5708 5.9505 5.9510 5.9961 5.9967 8.3488 8.3494 k = 0.0000 0.0594 0.2568 ( 5974 PWs) bands (ev): -20.9899 -20.9899 -20.9808 -20.9808 -20.1324 -20.1324 -20.1133 -20.1133 -18.4512 -18.4512 -18.4389 -18.4389 -9.3792 -9.3784 -9.3606 -9.3604 -9.2041 -9.2033 -9.1855 -9.1846 -8.8990 -8.8973 -8.8870 -8.8860 -8.7126 -8.7115 -8.6963 -8.6952 -5.6849 -5.6847 -5.6554 -5.6552 -4.7223 -4.7219 -4.7121 -4.7111 -4.2633 -4.2629 -4.2627 -4.2623 -1.0211 -1.0209 -1.0097 -1.0090 -0.6648 -0.6628 -0.6248 -0.6231 -0.4123 -0.4113 -0.4090 -0.4075 5.5432 5.5436 5.5692 5.5698 5.9563 5.9569 6.0155 6.0162 8.3506 8.3513 k = 0.0000 0.0742 0.2568 ( 5978 PWs) bands (ev): -20.9896 -20.9896 -20.9781 -20.9781 -20.1353 -20.1353 -20.1116 -20.1116 -18.4525 -18.4525 -18.4372 -18.4372 -9.3815 -9.3806 -9.3581 -9.3580 -9.2059 -9.2051 -9.1830 -9.1821 -8.9051 -8.9031 -8.8896 -8.8882 -8.7129 -8.7116 -8.6932 -8.6919 -5.6885 -5.6883 -5.6518 -5.6517 -4.7240 -4.7236 -4.7114 -4.7103 -4.2709 -4.2705 -4.2703 -4.2699 -1.0239 -1.0237 -1.0099 -1.0092 -0.6676 -0.6655 -0.6183 -0.6167 -0.4140 -0.4130 -0.4099 -0.4083 5.5362 5.5368 5.5665 5.5674 5.9660 5.9669 6.0378 6.0386 8.3554 8.3562 k = 0.0000 0.0890 0.2568 ( 5977 PWs) bands (ev): -20.9888 -20.9888 -20.9752 -20.9752 -20.1383 -20.1383 -20.1101 -20.1100 -18.4537 -18.4537 -18.4355 -18.4355 -9.3839 -9.3829 -9.3556 -9.3555 -9.2076 -9.2068 -9.1805 -9.1795 -8.9120 -8.9098 -8.8927 -8.8911 -8.7128 -8.7113 -8.6900 -8.6885 -5.6919 -5.6917 -5.6483 -5.6482 -4.7257 -4.7255 -4.7108 -4.7096 -4.2802 -4.2796 -4.2796 -4.2790 -1.0270 -1.0268 -1.0107 -1.0098 -0.6697 -0.6675 -0.6117 -0.6100 -0.4158 -0.4150 -0.4112 -0.4095 5.5290 5.5296 5.5625 5.5634 5.9797 5.9807 6.0629 6.0638 8.3633 8.3640 k = 0.0000 0.1039 0.2568 ( 5978 PWs) bands (ev): -20.9878 -20.9878 -20.9720 -20.9720 -20.1414 -20.1414 -20.1087 -20.1087 -18.4548 -18.4548 -18.4338 -18.4338 -9.3864 -9.3852 -9.3531 -9.3531 -9.2091 -9.2083 -9.1780 -9.1770 -8.9197 -8.9173 -8.8962 -8.8944 -8.7124 -8.7107 -8.6868 -8.6851 -5.6953 -5.6950 -5.6448 -5.6448 -4.7276 -4.7274 -4.7104 -4.7091 -4.2910 -4.2904 -4.2902 -4.2895 -1.0303 -1.0301 -1.0119 -1.0110 -0.6712 -0.6690 -0.6049 -0.6033 -0.4179 -0.4171 -0.4127 -0.4110 5.5215 5.5221 5.5571 5.5582 5.9972 5.9984 6.0906 6.0916 8.3740 8.3748 k = 0.0000 0.1187 0.2568 ( 5977 PWs) bands (ev): -20.9864 -20.9864 -20.9685 -20.9685 -20.1445 -20.1445 -20.1076 -20.1076 -18.4558 -18.4558 -18.4321 -18.4321 -9.3889 -9.3877 -9.3506 -9.3506 -9.2104 -9.2095 -9.1755 -9.1745 -8.9281 -8.9255 -8.9001 -8.8981 -8.7116 -8.7098 -8.6836 -8.6818 -5.6985 -5.6982 -5.6416 -5.6415 -4.7294 -4.7293 -4.7101 -4.7087 -4.3032 -4.3026 -4.3021 -4.3013 -1.0339 -1.0337 -1.0136 -1.0126 -0.6720 -0.6697 -0.5980 -0.5965 -0.4202 -0.4195 -0.4145 -0.4127 5.5138 5.5144 5.5505 5.5517 6.0183 6.0196 6.1209 6.1218 8.3877 8.3885 k = 0.0000 0.1336 0.2568 ( 5977 PWs) bands (ev): -20.9847 -20.9847 -20.9648 -20.9647 -20.1477 -20.1477 -20.1066 -20.1066 -18.4567 -18.4567 -18.4305 -18.4305 -9.3916 -9.3903 -9.3482 -9.3481 -9.2115 -9.2106 -9.1732 -9.1722 -8.9370 -8.9343 -8.9043 -8.9021 -8.7105 -8.7087 -8.6806 -8.6786 -5.7015 -5.7013 -5.6384 -5.6384 -4.7314 -4.7314 -4.7100 -4.7085 -4.3168 -4.3162 -4.3152 -4.3144 -1.0378 -1.0376 -1.0158 -1.0148 -0.6721 -0.6698 -0.5912 -0.5897 -0.4226 -0.4220 -0.4166 -0.4147 5.5059 5.5065 5.5430 5.5443 6.0428 6.0442 6.1535 6.1545 8.4042 8.4051 k = 0.0000 0.1484 0.2568 ( 5974 PWs) bands (ev): -20.9827 -20.9827 -20.9608 -20.9607 -20.1509 -20.1509 -20.1059 -20.1059 -18.4574 -18.4574 -18.4288 -18.4288 -9.3944 -9.3930 -9.3458 -9.3457 -9.2125 -9.2115 -9.1710 -9.1699 -8.9464 -8.9435 -8.9087 -8.9064 -8.7093 -8.7074 -8.6777 -8.6756 -5.7045 -5.7043 -5.6354 -5.6354 -4.7334 -4.7334 -4.7101 -4.7085 -4.3315 -4.3310 -4.3295 -4.3285 -1.0418 -1.0416 -1.0186 -1.0175 -0.6716 -0.6692 -0.5844 -0.5830 -0.4252 -0.4247 -0.4189 -0.4170 5.4978 5.4984 5.5345 5.5359 6.0706 6.0720 6.1885 6.1896 8.4236 8.4244 k = 0.0000 0.1632 0.2568 ( 5970 PWs) bands (ev): -20.9803 -20.9803 -20.9565 -20.9565 -20.1541 -20.1541 -20.1054 -20.1054 -18.4581 -18.4581 -18.4272 -18.4272 -9.3975 -9.3960 -9.3435 -9.3433 -9.2131 -9.2121 -9.1689 -9.1679 -8.9560 -8.9531 -8.9132 -8.9108 -8.7079 -8.7060 -8.6749 -8.6727 -5.7072 -5.7070 -5.6326 -5.6326 -4.7356 -4.7355 -4.7104 -4.7087 -4.3474 -4.3469 -4.3447 -4.3436 -1.0462 -1.0460 -1.0219 -1.0207 -0.6704 -0.6679 -0.5777 -0.5764 -0.4278 -0.4275 -0.4215 -0.4196 5.4895 5.4900 5.5253 5.5267 6.1014 6.1028 6.2258 6.2269 8.4456 8.4465 k = 0.0000 0.1781 0.2568 ( 5967 PWs) bands (ev): -20.9777 -20.9777 -20.9521 -20.9521 -20.1574 -20.1574 -20.1051 -20.1051 -18.4587 -18.4587 -18.4257 -18.4257 -9.4007 -9.3991 -9.3414 -9.3411 -9.2135 -9.2125 -9.1671 -9.1660 -8.9657 -8.9628 -8.9178 -8.9153 -8.7063 -8.7044 -8.6724 -8.6701 -5.7098 -5.7096 -5.6300 -5.6299 -4.7378 -4.7377 -4.7110 -4.7091 -4.3643 -4.3638 -4.3608 -4.3596 -1.0507 -1.0505 -1.0257 -1.0244 -0.6685 -0.6660 -0.5712 -0.5700 -0.4306 -0.4303 -0.4243 -0.4223 5.4810 5.4815 5.5155 5.5169 6.1350 6.1365 6.2653 6.2663 8.4703 8.4712 k = 0.0000 0.1929 0.2568 ( 5959 PWs) bands (ev): -20.9748 -20.9748 -20.9475 -20.9475 -20.1606 -20.1606 -20.1051 -20.1051 -18.4591 -18.4591 -18.4242 -18.4242 -9.4041 -9.4024 -9.3395 -9.3392 -9.2137 -9.2126 -9.1654 -9.1644 -8.9754 -8.9724 -8.9224 -8.9198 -8.7047 -8.7028 -8.6700 -8.6677 -5.7122 -5.7120 -5.6276 -5.6275 -4.7401 -4.7399 -4.7117 -4.7097 -4.3820 -4.3815 -4.3776 -4.3763 -1.0555 -1.0553 -1.0300 -1.0287 -0.6660 -0.6635 -0.5650 -0.5638 -0.4333 -0.4332 -0.4273 -0.4253 5.4723 5.4728 5.5051 5.5066 6.1714 6.1729 6.3068 6.3079 8.4974 8.4984 k = 0.0000 0.2077 0.2568 ( 5957 PWs) bands (ev): -20.9716 -20.9716 -20.9427 -20.9427 -20.1638 -20.1638 -20.1053 -20.1053 -18.4594 -18.4594 -18.4227 -18.4227 -9.4077 -9.4059 -9.3378 -9.3374 -9.2137 -9.2125 -9.1641 -9.1631 -8.9849 -8.9819 -8.9270 -8.9243 -8.7031 -8.7012 -8.6679 -8.6655 -5.7145 -5.7143 -5.6254 -5.6253 -4.7425 -4.7423 -4.7127 -4.7106 -4.4004 -4.3999 -4.3950 -4.3936 -1.0605 -1.0603 -1.0347 -1.0334 -0.6630 -0.6604 -0.5590 -0.5579 -0.4362 -0.4361 -0.4305 -0.4285 5.4634 5.4639 5.4943 5.4958 6.2103 6.2118 6.3504 6.3514 8.5270 8.5279 k = 0.0000 0.2226 0.2568 ( 5964 PWs) bands (ev): -20.9682 -20.9682 -20.9378 -20.9378 -20.1670 -20.1670 -20.1057 -20.1057 -18.4596 -18.4596 -18.4214 -18.4214 -9.4115 -9.4097 -9.3365 -9.3360 -9.2134 -9.2122 -9.1631 -9.1621 -8.9940 -8.9911 -8.9314 -8.9287 -8.7015 -8.6997 -8.6660 -8.6636 -5.7164 -5.7163 -5.6234 -5.6233 -4.7451 -4.7448 -4.7140 -4.7118 -4.4192 -4.4187 -4.4128 -4.4113 -1.0658 -1.0656 -1.0399 -1.0386 -0.6594 -0.6567 -0.5533 -0.5524 -0.4391 -0.4388 -0.4339 -0.4319 5.4543 5.4547 5.4832 5.4846 6.2516 6.2532 6.3959 6.3969 8.5589 8.5598 k = 0.0000 0.2374 0.2568 ( 5973 PWs) bands (ev): -20.9646 -20.9646 -20.9328 -20.9328 -20.1701 -20.1701 -20.1064 -20.1064 -18.4596 -18.4596 -18.4201 -18.4201 -9.4155 -9.4136 -9.3356 -9.3351 -9.2128 -9.2116 -9.1625 -9.1616 -9.0025 -8.9997 -8.9358 -8.9331 -8.6998 -8.6981 -8.6644 -8.6619 -5.7182 -5.7181 -5.6217 -5.6215 -4.7478 -4.7474 -4.7157 -4.7132 -4.4385 -4.4380 -4.4309 -4.4292 -1.0712 -1.0710 -1.0456 -1.0442 -0.6553 -0.6526 -0.5481 -0.5474 -0.4419 -0.4416 -0.4373 -0.4353 5.4449 5.4453 5.4717 5.4732 6.2952 6.2968 6.4432 6.4442 8.5928 8.5938 k = 0.0000 0.2523 0.2568 ( 5971 PWs) bands (ev): -20.9607 -20.9607 -20.9277 -20.9277 -20.1731 -20.1731 -20.1073 -20.1073 -18.4596 -18.4595 -18.4189 -18.4189 -9.4197 -9.4178 -9.3351 -9.3346 -9.2121 -9.2107 -9.1623 -9.1614 -9.0103 -9.0076 -8.9400 -8.9372 -8.6982 -8.6966 -8.6629 -8.6605 -5.7198 -5.7196 -5.6202 -5.6200 -4.7507 -4.7502 -4.7176 -4.7150 -4.4578 -4.4573 -4.4491 -4.4473 -1.0768 -1.0766 -1.0515 -1.0501 -0.6508 -0.6481 -0.5433 -0.5428 -0.4448 -0.4445 -0.4405 -0.4388 5.4353 5.4357 5.4600 5.4615 6.3410 6.3426 6.4923 6.4932 8.6288 8.6297 k = 0.0000 0.2671 0.2568 ( 5973 PWs) bands (ev): -20.9566 -20.9566 -20.9225 -20.9225 -20.1761 -20.1761 -20.1084 -20.1084 -18.4593 -18.4593 -18.4177 -18.4177 -9.4240 -9.4221 -9.3352 -9.3347 -9.2110 -9.2097 -9.1626 -9.1618 -9.0172 -9.0147 -8.9440 -8.9413 -8.6966 -8.6951 -8.6617 -8.6593 -5.7211 -5.7209 -5.6190 -5.6188 -4.7538 -4.7533 -4.7200 -4.7172 -4.4772 -4.4767 -4.4673 -4.4653 -1.0825 -1.0823 -1.0578 -1.0564 -0.6458 -0.6431 -0.5390 -0.5387 -0.4477 -0.4477 -0.4433 -0.4421 5.4256 5.4258 5.4482 5.4496 6.3889 6.3904 6.5429 6.5439 8.6665 8.6674 k = 0.0000 0.2819 0.2568 ( 5978 PWs) bands (ev): -20.9523 -20.9523 -20.9173 -20.9173 -20.1790 -20.1790 -20.1098 -20.1098 -18.4590 -18.4590 -18.4167 -18.4167 -9.4285 -9.4265 -9.3360 -9.3355 -9.2098 -9.2084 -9.1632 -9.1625 -9.0231 -9.0208 -8.9479 -8.9451 -8.6951 -8.6936 -8.6607 -8.6583 -5.7221 -5.7220 -5.6181 -5.6178 -4.7572 -4.7567 -4.7227 -4.7198 -4.4963 -4.4958 -4.4852 -4.4831 -1.0884 -1.0881 -1.0644 -1.0630 -0.6405 -0.6378 -0.5353 -0.5353 -0.4513 -0.4509 -0.4456 -0.4451 5.4156 5.4158 5.4363 5.4377 6.4386 6.4401 6.5952 6.5960 8.7058 8.7067 k = 0.0000 0.2968 0.2568 ( 5978 PWs) bands (ev): -20.9479 -20.9479 -20.9121 -20.9121 -20.1817 -20.1817 -20.1114 -20.1114 -18.4586 -18.4586 -18.4158 -18.4158 -9.4331 -9.4311 -9.3376 -9.3371 -9.2084 -9.2069 -9.1642 -9.1637 -9.0280 -9.0259 -8.9515 -8.9488 -8.6936 -8.6922 -8.6600 -8.6575 -5.7229 -5.7228 -5.6174 -5.6172 -4.7609 -4.7604 -4.7260 -4.7230 -4.5150 -4.5146 -4.5028 -4.5005 -1.0943 -1.0941 -1.0712 -1.0697 -0.6349 -0.6322 -0.5324 -0.5322 -0.4552 -0.4543 -0.4476 -0.4474 5.4055 5.4057 5.4243 5.4258 6.4901 6.4916 6.6488 6.6496 8.7464 8.7474 k = 0.0000 0.3116 0.2568 ( 5975 PWs) bands (ev): -20.9433 -20.9433 -20.9070 -20.9070 -20.1843 -20.1843 -20.1132 -20.1132 -18.4580 -18.4580 -18.4150 -18.4150 -9.4378 -9.4357 -9.3399 -9.3395 -9.2068 -9.2053 -9.1655 -9.1650 -9.0318 -9.0299 -8.9548 -8.9522 -8.6922 -8.6909 -8.6594 -8.6570 -5.7234 -5.7233 -5.6171 -5.6168 -4.7651 -4.7645 -4.7299 -4.7266 -4.5331 -4.5326 -4.5198 -4.5173 -1.1003 -1.1001 -1.0781 -1.0767 -0.6291 -0.6264 -0.5302 -0.5298 -0.4593 -0.4581 -0.4495 -0.4487 5.3953 5.3954 5.4125 5.4139 6.5433 6.5447 6.7036 6.7045 8.7881 8.7890 k = 0.0000 0.3265 0.2568 ( 5977 PWs) bands (ev): -20.9386 -20.9386 -20.9019 -20.9019 -20.1867 -20.1867 -20.1153 -20.1153 -18.4573 -18.4573 -18.4143 -18.4143 -9.4425 -9.4404 -9.3431 -9.3428 -9.2051 -9.2035 -9.1670 -9.1666 -9.0345 -9.0329 -8.9580 -8.9554 -8.6908 -8.6896 -8.6590 -8.6567 -5.7237 -5.7235 -5.6170 -5.6167 -4.7697 -4.7692 -4.7343 -4.7309 -4.5504 -4.5499 -4.5361 -4.5334 -1.1064 -1.1061 -1.0852 -1.0838 -0.6230 -0.6204 -0.5286 -0.5279 -0.4635 -0.4622 -0.4510 -0.4496 5.3850 5.3851 5.4007 5.4021 6.5979 6.5994 6.7597 6.7604 8.8305 8.8315 k = 0.0000 0.3413 0.2568 ( 5976 PWs) bands (ev): -20.9338 -20.9337 -20.8970 -20.8970 -20.1890 -20.1890 -20.1176 -20.1176 -18.4565 -18.4565 -18.4137 -18.4137 -9.4471 -9.4450 -9.3472 -9.3469 -9.2032 -9.2016 -9.1685 -9.1682 -9.0363 -9.0349 -8.9609 -8.9584 -8.6895 -8.6884 -8.6589 -8.6565 -5.7236 -5.7235 -5.6173 -5.6170 -4.7749 -4.7744 -4.7394 -4.7358 -4.5666 -4.5661 -4.5515 -4.5486 -1.1124 -1.1121 -1.0923 -1.0909 -0.6168 -0.6142 -0.5276 -0.5266 -0.4678 -0.4663 -0.4520 -0.4503 5.3747 5.3747 5.3891 5.3905 6.6539 6.6554 6.8167 6.8174 8.8732 8.8741 k = 0.0000 0.3561 0.2568 ( 5978 PWs) bands (ev): -20.9289 -20.9289 -20.8922 -20.8922 -20.1911 -20.1911 -20.1201 -20.1201 -18.4555 -18.4555 -18.4132 -18.4132 -9.4517 -9.4496 -9.3522 -9.3520 -9.2012 -9.1995 -9.1700 -9.1697 -9.0372 -9.0360 -8.9637 -8.9612 -8.6883 -8.6873 -8.6589 -8.6565 -5.7232 -5.7232 -5.6179 -5.6175 -4.7808 -4.7802 -4.7452 -4.7415 -4.5816 -4.5811 -4.5659 -4.5628 -1.1184 -1.1181 -1.0994 -1.0981 -0.6104 -0.6079 -0.5272 -0.5259 -0.4720 -0.4705 -0.4527 -0.4507 5.3643 5.3644 5.3777 5.3791 6.7111 6.7125 6.8745 6.8752 8.9156 8.9165 k = 0.0000 0.3710 0.2568 ( 5979 PWs) bands (ev): -20.9239 -20.9239 -20.8875 -20.8875 -20.1929 -20.1929 -20.1228 -20.1228 -18.4545 -18.4545 -18.4129 -18.4129 -9.4561 -9.4541 -9.3580 -9.3579 -9.1991 -9.1974 -9.1713 -9.1710 -9.0374 -9.0364 -8.9662 -8.9639 -8.6871 -8.6862 -8.6590 -8.6567 -5.7226 -5.7225 -5.6188 -5.6184 -4.7872 -4.7867 -4.7517 -4.7479 -4.5953 -4.5947 -4.5791 -4.5759 -1.1242 -1.1239 -1.1065 -1.1052 -0.6040 -0.6015 -0.5272 -0.5257 -0.4763 -0.4748 -0.4532 -0.4509 5.3540 5.3541 5.3667 5.3680 6.7694 6.7708 6.9331 6.9337 8.9567 8.9576 k = 0.0000 0.3858 0.2568 ( 5984 PWs) bands (ev): -20.9190 -20.9190 -20.8831 -20.8831 -20.1946 -20.1946 -20.1257 -20.1257 -18.4534 -18.4534 -18.4127 -18.4127 -9.4604 -9.4583 -9.3645 -9.3645 -9.1970 -9.1952 -9.1725 -9.1721 -9.0368 -9.0361 -8.9686 -8.9663 -8.6860 -8.6852 -8.6593 -8.6571 -5.7216 -5.7215 -5.6200 -5.6197 -4.7943 -4.7939 -4.7589 -4.7551 -4.6075 -4.6069 -4.5910 -4.5878 -1.1299 -1.1296 -1.1135 -1.1122 -0.5975 -0.5951 -0.5275 -0.5259 -0.4804 -0.4790 -0.4535 -0.4510 5.3438 5.3440 5.3560 5.3573 6.8285 6.8298 6.9921 6.9926 8.9952 8.9961 k = 0.0000 0.4007 0.2568 ( 5989 PWs) bands (ev): -20.9140 -20.9140 -20.8789 -20.8789 -20.1959 -20.1959 -20.1287 -20.1287 -18.4522 -18.4522 -18.4126 -18.4126 -9.4644 -9.4624 -9.3718 -9.3716 -9.1948 -9.1930 -9.1734 -9.1730 -9.0358 -9.0352 -8.9708 -8.9686 -8.6849 -8.6842 -8.6598 -8.6576 -5.7203 -5.7203 -5.6216 -5.6212 -4.8020 -4.8016 -4.7668 -4.7630 -4.6182 -4.6176 -4.6017 -4.5984 -1.1355 -1.1352 -1.1204 -1.1191 -0.5911 -0.5888 -0.5282 -0.5264 -0.4845 -0.4830 -0.4538 -0.4511 5.3338 5.3340 5.3457 5.3470 6.8883 6.8896 7.0514 7.0518 9.0293 9.0356 k = 0.0000 0.4155 0.2568 ( 5991 PWs) bands (ev): -20.9091 -20.9091 -20.8750 -20.8750 -20.1971 -20.1970 -20.1319 -20.1319 -18.4508 -18.4508 -18.4126 -18.4126 -9.4681 -9.4661 -9.3796 -9.3793 -9.1926 -9.1908 -9.1741 -9.1736 -9.0343 -9.0339 -8.9729 -8.9708 -8.6838 -8.6833 -8.6603 -8.6582 -5.7187 -5.7187 -5.6234 -5.6231 -4.8101 -4.8098 -4.7752 -4.7714 -4.6274 -4.6267 -4.6111 -4.6078 -1.1408 -1.1405 -1.1272 -1.1259 -0.5847 -0.5825 -0.5290 -0.5271 -0.4883 -0.4870 -0.4541 -0.4513 5.3241 5.3244 5.3359 5.3372 6.9485 6.9498 7.1107 7.1111 9.0280 9.0282 k = 0.0000 0.4303 0.2568 ( 5993 PWs) bands (ev): -20.9042 -20.9042 -20.8714 -20.8714 -20.1979 -20.1979 -20.1353 -20.1353 -18.4494 -18.4494 -18.4128 -18.4128 -9.4715 -9.4696 -9.3877 -9.3873 -9.1904 -9.1886 -9.1745 -9.1740 -9.0325 -9.0322 -8.9748 -8.9728 -8.6828 -8.6824 -8.6610 -8.6590 -5.7168 -5.7168 -5.6257 -5.6253 -4.8186 -4.8183 -4.7840 -4.7803 -4.6352 -4.6345 -4.6193 -4.6161 -1.1459 -1.1455 -1.1336 -1.1324 -0.5784 -0.5763 -0.5299 -0.5279 -0.4920 -0.4908 -0.4545 -0.4515 5.3146 5.3150 5.3267 5.3279 7.0090 7.0103 7.1699 7.1702 9.0034 9.0035 k = 0.0000 0.4452 0.2568 ( 5988 PWs) bands (ev): -20.8994 -20.8994 -20.8681 -20.8681 -20.1984 -20.1984 -20.1387 -20.1387 -18.4480 -18.4480 -18.4131 -18.4131 -9.4745 -9.4726 -9.3960 -9.3955 -9.1882 -9.1864 -9.1749 -9.1742 -9.0304 -9.0302 -8.9767 -8.9748 -8.6818 -8.6815 -8.6618 -8.6598 -5.7146 -5.7146 -5.6282 -5.6278 -4.8271 -4.8270 -4.7930 -4.7894 -4.6417 -4.6409 -4.6264 -4.6233 -1.1507 -1.1503 -1.1399 -1.1387 -0.5723 -0.5704 -0.5309 -0.5289 -0.4954 -0.4944 -0.4550 -0.4520 5.3056 5.3060 5.3180 5.3193 7.0694 7.0707 7.2285 7.2287 8.9733 8.9733 k = 0.0000 0.4600 0.2568 ( 5988 PWs) bands (ev): -20.8947 -20.8947 -20.8652 -20.8652 -20.1987 -20.1987 -20.1423 -20.1423 -18.4465 -18.4465 -18.4135 -18.4135 -9.4771 -9.4752 -9.4045 -9.4038 -9.1861 -9.1842 -9.1751 -9.1743 -9.0280 -9.0279 -8.9784 -8.9766 -8.6809 -8.6806 -8.6626 -8.6607 -5.7120 -5.7120 -5.6310 -5.6307 -4.8355 -4.8355 -4.8020 -4.7986 -4.6471 -4.6462 -4.6326 -4.6296 -1.1552 -1.1547 -1.1458 -1.1446 -0.5664 -0.5647 -0.5319 -0.5298 -0.4984 -0.4976 -0.4557 -0.4527 5.2969 5.2974 5.3100 5.3112 7.1294 7.1307 7.2863 7.2864 8.9386 8.9388 k = 0.0000 0.4749 0.2568 ( 5981 PWs) bands (ev): -20.8902 -20.8902 -20.8626 -20.8626 -20.1986 -20.1986 -20.1459 -20.1459 -18.4449 -18.4449 -18.4141 -18.4141 -9.4792 -9.4773 -9.4129 -9.4121 -9.1840 -9.1821 -9.1752 -9.1743 -9.0255 -9.0255 -8.9802 -8.9785 -8.6799 -8.6798 -8.6635 -8.6617 -5.7092 -5.7092 -5.6342 -5.6338 -4.8437 -4.8437 -4.8109 -4.8077 -4.6513 -4.6504 -4.6379 -4.6350 -1.1592 -1.1588 -1.1513 -1.1502 -0.5608 -0.5594 -0.5329 -0.5307 -0.5010 -0.5005 -0.4567 -0.4536 5.2888 5.2893 5.3027 5.3039 7.1887 7.1900 7.3427 7.3427 8.9008 8.9010 k = 0.0000 0.4897 0.2568 ( 5978 PWs) bands (ev): -20.8858 -20.8858 -20.8605 -20.8605 -20.1982 -20.1982 -20.1496 -20.1496 -18.4433 -18.4433 -18.4148 -18.4148 -9.4807 -9.4789 -9.4212 -9.4203 -9.1820 -9.1801 -9.1752 -9.1743 -9.0229 -9.0228 -8.9819 -8.9803 -8.6790 -8.6790 -8.6645 -8.6627 -5.7061 -5.7061 -5.6376 -5.6373 -4.8515 -4.8513 -4.8196 -4.8165 -4.6547 -4.6537 -4.6425 -4.6397 -1.1629 -1.1624 -1.1565 -1.1555 -0.5556 -0.5547 -0.5338 -0.5316 -0.5030 -0.5029 -0.4579 -0.4548 5.2812 5.2818 5.2961 5.2973 7.2469 7.2481 7.3972 7.3973 8.8608 8.8612 k = 0.0000 0.5045 0.2568 ( 5982 PWs) bands (ev): -20.8816 -20.8816 -20.8588 -20.8588 -20.1975 -20.1975 -20.1533 -20.1533 -18.4416 -18.4416 -18.4156 -18.4156 -9.4817 -9.4799 -9.4293 -9.4283 -9.1801 -9.1783 -9.1753 -9.1742 -9.0203 -9.0202 -8.9836 -8.9821 -8.6782 -8.6781 -8.6654 -8.6638 -5.7027 -5.7026 -5.6413 -5.6410 -4.8585 -4.8582 -4.8277 -4.8249 -4.6574 -4.6563 -4.6465 -4.6438 -1.1662 -1.1657 -1.1613 -1.1603 -0.5510 -0.5506 -0.5346 -0.5323 -0.5047 -0.5042 -0.4594 -0.4563 5.2742 5.2748 5.2903 5.2914 7.3032 7.3045 7.4492 7.4494 8.8198 8.8203 k = 0.0000 0.5194 0.2568 ( 5988 PWs) bands (ev): -20.8777 -20.8777 -20.8575 -20.8575 -20.1964 -20.1964 -20.1570 -20.1570 -18.4399 -18.4399 -18.4165 -18.4165 -9.4822 -9.4804 -9.4370 -9.4360 -9.1784 -9.1766 -9.1753 -9.1741 -9.0177 -9.0174 -8.9853 -8.9839 -8.6774 -8.6772 -8.6665 -8.6649 -5.6991 -5.6990 -5.6453 -5.6450 -4.8648 -4.8643 -4.8352 -4.8326 -4.6593 -4.6582 -4.6499 -4.6474 -1.1690 -1.1684 -1.1656 -1.1646 -0.5473 -0.5471 -0.5353 -0.5330 -0.5056 -0.5046 -0.4612 -0.4580 5.2679 5.2685 5.2852 5.2864 7.3571 7.3584 7.4977 7.4981 8.7791 8.7798 k = 0.0000 0.5342 0.2568 ( 5984 PWs) bands (ev): -20.8740 -20.8740 -20.8567 -20.8567 -20.1951 -20.1951 -20.1607 -20.1607 -18.4383 -18.4383 -18.4175 -18.4175 -9.4819 -9.4802 -9.4443 -9.4432 -9.1769 -9.1753 -9.1752 -9.1738 -9.0150 -9.0147 -8.9870 -8.9857 -8.6766 -8.6763 -8.6675 -8.6660 -5.6952 -5.6951 -5.6495 -5.6492 -4.8701 -4.8695 -4.8421 -4.8396 -4.6607 -4.6595 -4.6529 -4.6505 -1.1713 -1.1707 -1.1695 -1.1685 -0.5449 -0.5441 -0.5359 -0.5336 -0.5056 -0.5039 -0.4633 -0.4601 5.2623 5.2630 5.2810 5.2821 7.4078 7.4091 7.5419 7.5424 8.7400 8.7408 k = 0.0000 0.5491 0.2568 ( 5989 PWs) bands (ev): -20.8705 -20.8705 -20.8563 -20.8563 -20.1934 -20.1934 -20.1643 -20.1643 -18.4366 -18.4366 -18.4186 -18.4186 -9.4811 -9.4794 -9.4512 -9.4500 -9.1763 -9.1749 -9.1745 -9.1728 -9.0124 -9.0120 -8.9889 -8.9877 -8.6758 -8.6754 -8.6685 -8.6671 -5.6910 -5.6909 -5.6539 -5.6536 -4.8743 -4.8737 -4.8481 -4.8458 -4.6616 -4.6603 -4.6555 -4.6533 -1.1732 -1.1728 -1.1725 -1.1719 -0.5434 -0.5419 -0.5364 -0.5342 -0.5046 -0.5023 -0.4656 -0.4624 5.2574 5.2582 5.2776 5.2787 7.4541 7.4554 7.5805 7.5811 8.7039 8.7047 k = 0.0000 0.5639 0.2568 ( 5989 PWs) bands (ev): -20.8674 -20.8674 -20.8564 -20.8564 -20.1914 -20.1914 -20.1679 -20.1679 -18.4349 -18.4349 -18.4199 -18.4199 -9.4796 -9.4780 -9.4576 -9.4563 -9.1765 -9.1750 -9.1734 -9.1716 -9.0098 -9.0093 -8.9908 -8.9896 -8.6750 -8.6745 -8.6695 -8.6682 -5.6867 -5.6866 -5.6585 -5.6582 -4.8775 -4.8767 -4.8531 -4.8511 -4.6621 -4.6607 -4.6577 -4.6556 -1.1758 -1.1749 -1.1744 -1.1738 -0.5426 -0.5407 -0.5368 -0.5346 -0.5027 -0.4999 -0.4681 -0.4650 5.2533 5.2541 5.2751 5.2761 7.4949 7.4962 7.6120 7.6127 8.6722 8.6731 k = 0.0000 0.5787 0.2568 ( 5989 PWs) bands (ev): -20.8646 -20.8646 -20.8569 -20.8569 -20.1891 -20.1891 -20.1713 -20.1713 -18.4332 -18.4332 -18.4212 -18.4212 -9.4774 -9.4759 -9.4634 -9.4621 -9.1768 -9.1753 -9.1722 -9.1704 -9.0073 -9.0067 -8.9927 -8.9917 -8.6742 -8.6735 -8.6705 -8.6693 -5.6822 -5.6821 -5.6632 -5.6630 -4.8795 -4.8786 -4.8572 -4.8554 -4.6622 -4.6607 -4.6596 -4.6576 -1.1781 -1.1772 -1.1752 -1.1745 -0.5424 -0.5401 -0.5370 -0.5348 -0.5000 -0.4969 -0.4709 -0.4678 5.2501 5.2509 5.2734 5.2744 7.5288 7.5300 7.6349 7.6358 8.6467 8.6477 k = 0.0000 0.5936 0.2568 ( 5991 PWs) bands (ev): -20.8622 -20.8622 -20.8579 -20.8579 -20.1866 -20.1866 -20.1747 -20.1747 -18.4316 -18.4316 -18.4226 -18.4226 -9.4746 -9.4731 -9.4687 -9.4673 -9.1773 -9.1757 -9.1711 -9.1694 -9.0049 -9.0042 -8.9948 -8.9938 -8.6734 -8.6726 -8.6715 -8.6704 -5.6776 -5.6774 -5.6681 -5.6678 -4.8803 -4.8793 -4.8603 -4.8586 -4.6619 -4.6612 -4.6604 -4.6593 -1.1799 -1.1791 -1.1754 -1.1747 -0.5427 -0.5402 -0.5370 -0.5349 -0.4969 -0.4935 -0.4738 -0.4708 5.2476 5.2485 5.2726 5.2736 7.5543 7.5555 7.6479 7.6490 8.6289 8.6300 k = 0.0000 0.6084 0.2568 ( 5991 PWs) bands (ev): -20.8601 -20.8601 -20.8593 -20.8593 -20.1837 -20.1837 -20.1778 -20.1778 -18.4300 -18.4300 -18.4241 -18.4241 -9.4733 -9.4718 -9.4711 -9.4696 -9.1779 -9.1763 -9.1702 -9.1685 -9.0025 -9.0018 -8.9969 -8.9961 -8.6725 -8.6724 -8.6716 -8.6714 -5.6730 -5.6729 -5.6727 -5.6727 -4.8800 -4.8787 -4.8622 -4.8607 -4.6625 -4.6613 -4.6607 -4.6597 -1.1811 -1.1803 -1.1751 -1.1744 -0.5431 -0.5406 -0.5369 -0.5348 -0.4935 -0.4900 -0.4768 -0.4739 5.2461 5.2470 5.2727 5.2736 7.5702 7.5714 7.6500 7.6511 8.6204 8.6215 k = 0.0000 0.6084 0.2568 ( 5991 PWs) bands (ev): -20.8601 -20.8601 -20.8593 -20.8593 -20.1837 -20.1837 -20.1778 -20.1778 -18.4300 -18.4300 -18.4241 -18.4241 -9.4733 -9.4718 -9.4711 -9.4696 -9.1779 -9.1763 -9.1702 -9.1685 -9.0025 -9.0018 -8.9969 -8.9961 -8.6725 -8.6724 -8.6716 -8.6714 -5.6730 -5.6729 -5.6727 -5.6727 -4.8800 -4.8787 -4.8622 -4.8607 -4.6625 -4.6613 -4.6607 -4.6597 -1.1811 -1.1803 -1.1751 -1.1744 -0.5431 -0.5406 -0.5369 -0.5348 -0.4935 -0.4900 -0.4768 -0.4739 5.2461 5.2470 5.2727 5.2736 7.5702 7.5714 7.6500 7.6511 8.6204 8.6215 k = 0.0000 0.6134 0.2443 ( 5998 PWs) bands (ev): -20.8597 -20.8597 -20.8597 -20.8597 -20.1808 -20.1808 -20.1808 -20.1808 -18.4270 -18.4270 -18.4270 -18.4270 -9.4722 -9.4722 -9.4707 -9.4707 -9.1741 -9.1741 -9.1724 -9.1724 -8.9998 -8.9998 -8.9990 -8.9990 -8.6724 -8.6724 -8.6715 -8.6715 -5.6730 -5.6730 -5.6727 -5.6727 -4.8711 -4.8711 -4.8697 -4.8697 -4.6620 -4.6620 -4.6603 -4.6603 -1.1781 -1.1781 -1.1774 -1.1774 -0.5398 -0.5398 -0.5375 -0.5375 -0.4854 -0.4854 -0.4822 -0.4822 5.2592 5.2592 5.2602 5.2602 7.6105 7.6105 7.6117 7.6117 8.6201 8.6201 k = 0.0000 0.6134 0.2443 ( 5998 PWs) bands (ev): -20.8597 -20.8597 -20.8597 -20.8597 -20.1808 -20.1808 -20.1808 -20.1808 -18.4270 -18.4270 -18.4270 -18.4270 -9.4722 -9.4722 -9.4707 -9.4707 -9.1741 -9.1741 -9.1724 -9.1724 -8.9998 -8.9998 -8.9990 -8.9990 -8.6724 -8.6724 -8.6715 -8.6715 -5.6730 -5.6730 -5.6727 -5.6727 -4.8711 -4.8711 -4.8697 -4.8697 -4.6620 -4.6620 -4.6603 -4.6603 -1.1781 -1.1781 -1.1774 -1.1774 -0.5398 -0.5398 -0.5375 -0.5375 -0.4854 -0.4854 -0.4822 -0.4822 5.2592 5.2592 5.2602 5.2602 7.6105 7.6105 7.6117 7.6117 8.6201 8.6204 k = 0.0147 0.6134 0.2443 ( 5992 PWs) bands (ev): -20.8596 -20.8596 -20.8596 -20.8596 -20.1808 -20.1808 -20.1807 -20.1807 -18.4271 -18.4271 -18.4271 -18.4271 -9.4724 -9.4724 -9.4709 -9.4709 -9.1743 -9.1743 -9.1726 -9.1726 -9.0000 -9.0000 -8.9992 -8.9992 -8.6724 -8.6724 -8.6714 -8.6714 -5.6727 -5.6727 -5.6725 -5.6725 -4.8707 -4.8707 -4.8694 -4.8694 -4.6620 -4.6620 -4.6603 -4.6603 -1.1780 -1.1780 -1.1772 -1.1772 -0.5399 -0.5399 -0.5372 -0.5372 -0.4852 -0.4852 -0.4818 -0.4818 5.2586 5.2586 5.2595 5.2595 7.6122 7.6122 7.6133 7.6133 8.6197 8.6197 k = 0.0294 0.6134 0.2443 ( 5996 PWs) bands (ev): -20.8595 -20.8595 -20.8595 -20.8595 -20.1806 -20.1806 -20.1806 -20.1806 -18.4274 -18.4274 -18.4274 -18.4274 -9.4728 -9.4728 -9.4713 -9.4713 -9.1750 -9.1750 -9.1732 -9.1732 -9.0007 -9.0007 -8.9998 -8.9998 -8.6722 -8.6722 -8.6713 -8.6713 -5.6719 -5.6719 -5.6717 -5.6717 -4.8697 -4.8697 -4.8683 -4.8683 -4.6619 -4.6619 -4.6602 -4.6602 -1.1775 -1.1775 -1.1768 -1.1768 -0.5399 -0.5399 -0.5365 -0.5365 -0.4845 -0.4845 -0.4805 -0.4805 5.2568 5.2568 5.2577 5.2577 7.6171 7.6171 7.6183 7.6183 8.6186 8.6186 k = 0.0441 0.6134 0.2443 ( 5994 PWs) bands (ev): -20.8594 -20.8594 -20.8594 -20.8594 -20.1804 -20.1804 -20.1804 -20.1804 -18.4278 -18.4278 -18.4278 -18.4278 -9.4736 -9.4736 -9.4721 -9.4721 -9.1760 -9.1760 -9.1742 -9.1742 -9.0019 -9.0019 -9.0009 -9.0009 -8.6720 -8.6720 -8.6710 -8.6710 -5.6706 -5.6706 -5.6704 -5.6704 -4.8680 -4.8680 -4.8666 -4.8666 -4.6619 -4.6619 -4.6601 -4.6601 -1.1768 -1.1768 -1.1760 -1.1760 -0.5397 -0.5397 -0.5355 -0.5355 -0.4832 -0.4832 -0.4785 -0.4785 5.2537 5.2537 5.2547 5.2547 7.6252 7.6252 7.6264 7.6264 8.6169 8.6169 k = 0.0588 0.6134 0.2443 ( 5992 PWs) bands (ev): -20.8592 -20.8592 -20.8592 -20.8592 -20.1800 -20.1800 -20.1800 -20.1800 -18.4283 -18.4283 -18.4283 -18.4283 -9.4747 -9.4747 -9.4731 -9.4731 -9.1775 -9.1775 -9.1757 -9.1757 -9.0035 -9.0035 -9.0024 -9.0024 -8.6717 -8.6717 -8.6706 -8.6706 -5.6688 -5.6688 -5.6685 -5.6685 -4.8657 -4.8657 -4.8641 -4.8641 -4.6618 -4.6618 -4.6600 -4.6600 -1.1758 -1.1758 -1.1749 -1.1749 -0.5393 -0.5393 -0.5342 -0.5342 -0.4814 -0.4814 -0.4759 -0.4759 5.2495 5.2495 5.2505 5.2505 7.6365 7.6365 7.6377 7.6377 8.6145 8.6145 k = 0.0735 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8589 -20.8589 -20.8589 -20.8589 -20.1796 -20.1796 -20.1796 -20.1796 -18.4290 -18.4290 -18.4290 -18.4290 -9.4760 -9.4760 -9.4745 -9.4745 -9.1794 -9.1794 -9.1775 -9.1775 -9.0054 -9.0054 -9.0043 -9.0043 -8.6713 -8.6713 -8.6702 -8.6702 -5.6664 -5.6664 -5.6662 -5.6662 -4.8627 -4.8627 -4.8611 -4.8611 -4.6617 -4.6617 -4.6598 -4.6598 -1.1745 -1.1745 -1.1736 -1.1736 -0.5386 -0.5386 -0.5327 -0.5327 -0.4790 -0.4790 -0.4727 -0.4727 5.2442 5.2442 5.2452 5.2452 7.6509 7.6509 7.6521 7.6521 8.6114 8.6114 k = 0.0882 0.6134 0.2443 ( 5984 PWs) bands (ev): -20.8585 -20.8585 -20.8585 -20.8585 -20.1791 -20.1791 -20.1791 -20.1791 -18.4298 -18.4298 -18.4298 -18.4298 -9.4776 -9.4776 -9.4760 -9.4760 -9.1817 -9.1817 -9.1798 -9.1798 -9.0077 -9.0077 -9.0065 -9.0065 -8.6708 -8.6708 -8.6696 -8.6696 -5.6636 -5.6636 -5.6633 -5.6633 -4.8591 -4.8591 -4.8575 -4.8575 -4.6616 -4.6616 -4.6596 -4.6596 -1.1729 -1.1729 -1.1720 -1.1720 -0.5375 -0.5375 -0.5309 -0.5309 -0.4760 -0.4760 -0.4691 -0.4691 5.2379 5.2379 5.2390 5.2390 7.6682 7.6682 7.6695 7.6695 8.6077 8.6077 k = 0.1029 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8582 -20.8582 -20.8582 -20.8582 -20.1785 -20.1785 -20.1785 -20.1785 -18.4308 -18.4308 -18.4308 -18.4308 -9.4795 -9.4795 -9.4779 -9.4779 -9.1845 -9.1845 -9.1825 -9.1825 -9.0102 -9.0102 -9.0089 -9.0089 -8.6703 -8.6703 -8.6691 -8.6691 -5.6603 -5.6603 -5.6601 -5.6601 -4.8551 -4.8551 -4.8533 -4.8533 -4.6614 -4.6614 -4.6593 -4.6593 -1.1711 -1.1711 -1.1701 -1.1701 -0.5361 -0.5361 -0.5289 -0.5289 -0.4725 -0.4725 -0.4650 -0.4650 5.2308 5.2308 5.2319 5.2319 7.6884 7.6884 7.6896 7.6896 8.6035 8.6035 k = 0.1176 0.6134 0.2443 ( 5990 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -20.1778 -20.1778 -20.1778 -20.1778 -18.4319 -18.4319 -18.4319 -18.4319 -9.4816 -9.4816 -9.4799 -9.4799 -9.1878 -9.1878 -9.1856 -9.1856 -9.0130 -9.0130 -9.0116 -9.0116 -8.6698 -8.6698 -8.6685 -8.6685 -5.6566 -5.6566 -5.6563 -5.6563 -4.8506 -4.8506 -4.8487 -4.8487 -4.6612 -4.6612 -4.6590 -4.6590 -1.1690 -1.1690 -1.1680 -1.1680 -0.5343 -0.5343 -0.5265 -0.5265 -0.4685 -0.4685 -0.4606 -0.4606 5.2228 5.2228 5.2240 5.2240 7.7112 7.7112 7.7125 7.7125 8.5988 8.5988 k = 0.1324 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8572 -20.8572 -20.8572 -20.8572 -20.1771 -20.1771 -20.1771 -20.1771 -18.4331 -18.4331 -18.4331 -18.4331 -9.4839 -9.4839 -9.4822 -9.4822 -9.1914 -9.1914 -9.1892 -9.1892 -9.0159 -9.0159 -9.0144 -9.0144 -8.6692 -8.6692 -8.6679 -8.6679 -5.6525 -5.6525 -5.6522 -5.6522 -4.8456 -4.8456 -4.8436 -4.8436 -4.6609 -4.6609 -4.6585 -4.6585 -1.1667 -1.1667 -1.1656 -1.1656 -0.5321 -0.5321 -0.5239 -0.5239 -0.4641 -0.4641 -0.4558 -0.4558 5.2142 5.2142 5.2154 5.2154 7.7366 7.7366 7.7378 7.7378 8.5936 8.5937 k = 0.1471 0.6134 0.2443 ( 5982 PWs) bands (ev): -20.8567 -20.8567 -20.8567 -20.8567 -20.1762 -20.1762 -20.1762 -20.1762 -18.4345 -18.4345 -18.4345 -18.4345 -9.4864 -9.4864 -9.4846 -9.4846 -9.1955 -9.1955 -9.1931 -9.1931 -9.0189 -9.0189 -9.0174 -9.0174 -8.6686 -8.6686 -8.6673 -8.6673 -5.6480 -5.6480 -5.6477 -5.6477 -4.8403 -4.8403 -4.8382 -4.8382 -4.6605 -4.6605 -4.6580 -4.6580 -1.1642 -1.1642 -1.1631 -1.1631 -0.5295 -0.5295 -0.5210 -0.5210 -0.4594 -0.4594 -0.4508 -0.4508 5.2050 5.2050 5.2063 5.2063 7.7642 7.7642 7.7655 7.7655 8.5882 8.5882 k = 0.1618 0.6134 0.2443 ( 5984 PWs) bands (ev): -20.8561 -20.8561 -20.8561 -20.8561 -20.1754 -20.1754 -20.1754 -20.1754 -18.4359 -18.4359 -18.4359 -18.4359 -9.4890 -9.4890 -9.4872 -9.4872 -9.2000 -9.2000 -9.1975 -9.1975 -9.0219 -9.0219 -9.0204 -9.0204 -8.6681 -8.6681 -8.6666 -8.6666 -5.6432 -5.6432 -5.6428 -5.6428 -4.8348 -4.8348 -4.8326 -4.8326 -4.6601 -4.6601 -4.6575 -4.6575 -1.1615 -1.1615 -1.1603 -1.1603 -0.5266 -0.5266 -0.5179 -0.5179 -0.4543 -0.4543 -0.4455 -0.4455 5.1955 5.1955 5.1967 5.1967 7.7940 7.7940 7.7953 7.7953 8.5825 8.5838 k = 0.1765 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8555 -20.8555 -20.8555 -20.8555 -20.1744 -20.1744 -20.1744 -20.1744 -18.4374 -18.4374 -18.4374 -18.4374 -9.4918 -9.4918 -9.4900 -9.4900 -9.2049 -9.2049 -9.2023 -9.2023 -9.0250 -9.0250 -9.0234 -9.0234 -8.6675 -8.6675 -8.6661 -8.6661 -5.6380 -5.6380 -5.6377 -5.6377 -4.8291 -4.8291 -4.8267 -4.8267 -4.6595 -4.6595 -4.6568 -4.6568 -1.1586 -1.1586 -1.1574 -1.1574 -0.5233 -0.5233 -0.5144 -0.5144 -0.4490 -0.4490 -0.4400 -0.4400 5.1856 5.1856 5.1868 5.1868 7.8257 7.8257 7.8270 7.8270 8.5766 8.5766 k = 0.1912 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8549 -20.8549 -20.8549 -20.8549 -20.1734 -20.1734 -20.1734 -20.1734 -18.4390 -18.4390 -18.4390 -18.4390 -9.4947 -9.4947 -9.4928 -9.4928 -9.2101 -9.2101 -9.2074 -9.2074 -9.0280 -9.0280 -9.0264 -9.0264 -8.6670 -8.6670 -8.6655 -8.6655 -5.6326 -5.6326 -5.6322 -5.6322 -4.8233 -4.8233 -4.8208 -4.8208 -4.6588 -4.6588 -4.6559 -4.6559 -1.1556 -1.1556 -1.1544 -1.1544 -0.5197 -0.5197 -0.5107 -0.5107 -0.4435 -0.4435 -0.4344 -0.4344 5.1755 5.1755 5.1768 5.1768 7.8590 7.8590 7.8603 7.8603 8.5708 8.5708 k = 0.2059 0.6134 0.2443 ( 5986 PWs) bands (ev): -20.8542 -20.8542 -20.8542 -20.8542 -20.1724 -20.1724 -20.1724 -20.1724 -18.4407 -18.4407 -18.4407 -18.4407 -9.4976 -9.4976 -9.4957 -9.4957 -9.2156 -9.2156 -9.2129 -9.2129 -9.0309 -9.0309 -9.0293 -9.0293 -8.6665 -8.6665 -8.6650 -8.6650 -5.6269 -5.6269 -5.6266 -5.6266 -4.8174 -4.8174 -4.8148 -4.8148 -4.6579 -4.6579 -4.6549 -4.6549 -1.1525 -1.1525 -1.1512 -1.1512 -0.5159 -0.5159 -0.5068 -0.5068 -0.4378 -0.4378 -0.4287 -0.4287 5.1654 5.1654 5.1667 5.1667 7.8936 7.8936 7.8949 7.8949 8.5651 8.5651 k = 0.2206 0.6134 0.2443 ( 5984 PWs) bands (ev): -20.8535 -20.8535 -20.8535 -20.8535 -20.1714 -20.1714 -20.1714 -20.1714 -18.4424 -18.4424 -18.4424 -18.4424 -9.5006 -9.5006 -9.4987 -9.4987 -9.2213 -9.2213 -9.2186 -9.2186 -9.0337 -9.0337 -9.0321 -9.0321 -8.6660 -8.6660 -8.6645 -8.6645 -5.6211 -5.6211 -5.6208 -5.6208 -4.8117 -4.8117 -4.8089 -4.8089 -4.6569 -4.6569 -4.6538 -4.6538 -1.1494 -1.1494 -1.1480 -1.1480 -0.5117 -0.5117 -0.5026 -0.5026 -0.4320 -0.4320 -0.4230 -0.4230 5.1553 5.1553 5.1566 5.1566 7.9294 7.9294 7.9306 7.9306 8.5597 8.5597 k = 0.2353 0.6134 0.2443 ( 5978 PWs) bands (ev): -20.8528 -20.8528 -20.8528 -20.8528 -20.1703 -20.1703 -20.1703 -20.1703 -18.4441 -18.4441 -18.4441 -18.4441 -9.5036 -9.5036 -9.5017 -9.5017 -9.2273 -9.2273 -9.2245 -9.2245 -9.0363 -9.0363 -9.0348 -9.0348 -8.6656 -8.6656 -8.6641 -8.6641 -5.6152 -5.6152 -5.6148 -5.6148 -4.8061 -4.8061 -4.8032 -4.8032 -4.6557 -4.6557 -4.6525 -4.6525 -1.1461 -1.1461 -1.1447 -1.1447 -0.5074 -0.5074 -0.4983 -0.4983 -0.4261 -0.4261 -0.4172 -0.4172 5.1453 5.1453 5.1466 5.1466 7.9658 7.9658 7.9670 7.9670 8.5549 8.5549 k = 0.2500 0.6134 0.2443 ( 5980 PWs) bands (ev): -20.8521 -20.8521 -20.8521 -20.8521 -20.1692 -20.1692 -20.1692 -20.1692 -18.4458 -18.4458 -18.4458 -18.4458 -9.5066 -9.5066 -9.5047 -9.5047 -9.2334 -9.2334 -9.2305 -9.2305 -9.0389 -9.0389 -9.0374 -9.0374 -8.6653 -8.6653 -8.6637 -8.6637 -5.6091 -5.6091 -5.6088 -5.6088 -4.8007 -4.8007 -4.7977 -4.7977 -4.6543 -4.6543 -4.6509 -4.6509 -1.1429 -1.1429 -1.1414 -1.1414 -0.5029 -0.5029 -0.4939 -0.4939 -0.4202 -0.4202 -0.4114 -0.4114 5.1356 5.1356 5.1369 5.1369 8.0026 8.0026 8.0037 8.0037 8.5509 8.5509 k = 0.2647 0.6134 0.2443 ( 5984 PWs) bands (ev): -20.8514 -20.8514 -20.8514 -20.8514 -20.1681 -20.1681 -20.1681 -20.1681 -18.4476 -18.4476 -18.4476 -18.4476 -9.5096 -9.5096 -9.5077 -9.5077 -9.2396 -9.2396 -9.2367 -9.2367 -9.0413 -9.0413 -9.0399 -9.0399 -8.6650 -8.6650 -8.6634 -8.6634 -5.6031 -5.6031 -5.6027 -5.6027 -4.7956 -4.7956 -4.7926 -4.7926 -4.6526 -4.6526 -4.6492 -4.6492 -1.1396 -1.1396 -1.1381 -1.1381 -0.4982 -0.4982 -0.4894 -0.4894 -0.4143 -0.4143 -0.4057 -0.4057 5.1261 5.1261 5.1274 5.1274 8.0392 8.0392 8.0403 8.0403 8.5480 8.5480 k = 0.2794 0.6134 0.2443 ( 5986 PWs) bands (ev): -20.8507 -20.8507 -20.8507 -20.8507 -20.1671 -20.1671 -20.1671 -20.1671 -18.4493 -18.4493 -18.4493 -18.4493 -9.5125 -9.5125 -9.5106 -9.5106 -9.2458 -9.2458 -9.2429 -9.2429 -9.0436 -9.0436 -9.0422 -9.0422 -8.6647 -8.6647 -8.6631 -8.6631 -5.5970 -5.5970 -5.5967 -5.5967 -4.7909 -4.7909 -4.7877 -4.7877 -4.6508 -4.6508 -4.6473 -4.6473 -1.1364 -1.1364 -1.1349 -1.1349 -0.4935 -0.4935 -0.4849 -0.4849 -0.4084 -0.4084 -0.4000 -0.4000 5.1170 5.1170 5.1183 5.1183 8.0752 8.0752 8.0762 8.0762 8.5465 8.5465 k = 0.2941 0.6134 0.2443 ( 5982 PWs) bands (ev): -20.8501 -20.8501 -20.8501 -20.8501 -20.1660 -20.1660 -20.1660 -20.1660 -18.4510 -18.4510 -18.4510 -18.4510 -9.5154 -9.5154 -9.5135 -9.5135 -9.2519 -9.2519 -9.2491 -9.2491 -9.0457 -9.0457 -9.0443 -9.0443 -8.6645 -8.6645 -8.6629 -8.6629 -5.5911 -5.5911 -5.5907 -5.5907 -4.7866 -4.7866 -4.7834 -4.7834 -4.6487 -4.6487 -4.6452 -4.6452 -1.1333 -1.1333 -1.1317 -1.1317 -0.4888 -0.4888 -0.4804 -0.4804 -0.4026 -0.4026 -0.3945 -0.3945 5.1084 5.1084 5.1096 5.1096 8.1099 8.1099 8.1109 8.1109 8.5469 8.5469 k = 0.3088 0.6134 0.2443 ( 5982 PWs) bands (ev): -20.8494 -20.8494 -20.8494 -20.8494 -20.1650 -20.1650 -20.1649 -20.1649 -18.4527 -18.4527 -18.4527 -18.4527 -9.5181 -9.5181 -9.5162 -9.5162 -9.2580 -9.2580 -9.2551 -9.2551 -9.0476 -9.0476 -9.0463 -9.0463 -8.6643 -8.6643 -8.6627 -8.6627 -5.5852 -5.5852 -5.5849 -5.5849 -4.7827 -4.7827 -4.7794 -4.7794 -4.6464 -4.6464 -4.6429 -4.6429 -1.1302 -1.1302 -1.1286 -1.1286 -0.4841 -0.4841 -0.4759 -0.4759 -0.3969 -0.3969 -0.3892 -0.3892 5.1002 5.1002 5.1014 5.1014 8.1427 8.1427 8.1436 8.1436 8.5497 8.5497 k = 0.3235 0.6134 0.2443 ( 5990 PWs) bands (ev): -20.8488 -20.8488 -20.8488 -20.8488 -20.1640 -20.1640 -20.1640 -20.1640 -18.4543 -18.4543 -18.4543 -18.4543 -9.5208 -9.5208 -9.5189 -9.5189 -9.2638 -9.2638 -9.2610 -9.2610 -9.0495 -9.0495 -9.0482 -9.0482 -8.6642 -8.6642 -8.6626 -8.6626 -5.5795 -5.5795 -5.5792 -5.5792 -4.7792 -4.7792 -4.7759 -4.7759 -4.6439 -4.6439 -4.6405 -4.6405 -1.1272 -1.1272 -1.1256 -1.1256 -0.4795 -0.4795 -0.4716 -0.4716 -0.3914 -0.3914 -0.3841 -0.3841 5.0925 5.0925 5.0937 5.0937 8.1727 8.1727 8.1736 8.1736 8.5552 8.5552 k = 0.3382 0.6134 0.2443 ( 5990 PWs) bands (ev): -20.8482 -20.8482 -20.8482 -20.8482 -20.1630 -20.1630 -20.1630 -20.1630 -18.4559 -18.4559 -18.4559 -18.4559 -9.5233 -9.5233 -9.5214 -9.5214 -9.2694 -9.2694 -9.2666 -9.2666 -9.0511 -9.0511 -9.0500 -9.0500 -8.6640 -8.6640 -8.6625 -8.6625 -5.5741 -5.5741 -5.5737 -5.5737 -4.7762 -4.7762 -4.7729 -4.7729 -4.6414 -4.6414 -4.6379 -4.6379 -1.1244 -1.1244 -1.1227 -1.1227 -0.4750 -0.4750 -0.4674 -0.4674 -0.3861 -0.3861 -0.3792 -0.3792 5.0854 5.0854 5.0865 5.0865 8.1995 8.1995 8.2003 8.2003 8.5640 8.5640 k = 0.3529 0.6134 0.2443 ( 5976 PWs) bands (ev): -20.8476 -20.8476 -20.8476 -20.8476 -20.1621 -20.1621 -20.1621 -20.1621 -18.4573 -18.4573 -18.4573 -18.4573 -9.5256 -9.5256 -9.5238 -9.5238 -9.2747 -9.2747 -9.2720 -9.2720 -9.0526 -9.0526 -9.0515 -9.0515 -8.6640 -8.6640 -8.6624 -8.6624 -5.5689 -5.5689 -5.5686 -5.5686 -4.7736 -4.7736 -4.7703 -4.7703 -4.6387 -4.6387 -4.6353 -4.6353 -1.1217 -1.1217 -1.1200 -1.1200 -0.4707 -0.4707 -0.4635 -0.4635 -0.3811 -0.3811 -0.3746 -0.3746 5.0789 5.0789 5.0800 5.0800 8.2224 8.2224 8.2231 8.2231 8.5761 8.5761 k = 0.3676 0.6134 0.2443 ( 5982 PWs) bands (ev): -20.8470 -20.8470 -20.8470 -20.8470 -20.1612 -20.1612 -20.1612 -20.1612 -18.4587 -18.4587 -18.4587 -18.4587 -9.5277 -9.5277 -9.5260 -9.5260 -9.2796 -9.2796 -9.2770 -9.2770 -9.0540 -9.0540 -9.0530 -9.0530 -8.6639 -8.6639 -8.6624 -8.6624 -5.5641 -5.5641 -5.5637 -5.5637 -4.7714 -4.7714 -4.7682 -4.7682 -4.6361 -4.6361 -4.6328 -4.6328 -1.1193 -1.1193 -1.1175 -1.1175 -0.4667 -0.4667 -0.4598 -0.4598 -0.3763 -0.3763 -0.3703 -0.3703 5.0730 5.0730 5.0740 5.0740 8.2412 8.2412 8.2419 8.2419 8.5915 8.5915 k = 0.3824 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8466 -20.8466 -20.8466 -20.8466 -20.1604 -20.1604 -20.1604 -20.1604 -18.4600 -18.4600 -18.4600 -18.4600 -9.5297 -9.5297 -9.5280 -9.5280 -9.2842 -9.2842 -9.2816 -9.2816 -9.0552 -9.0552 -9.0543 -9.0543 -8.6639 -8.6639 -8.6624 -8.6624 -5.5596 -5.5596 -5.5593 -5.5593 -4.7696 -4.7696 -4.7664 -4.7664 -4.6335 -4.6335 -4.6302 -4.6302 -1.1170 -1.1170 -1.1153 -1.1153 -0.4630 -0.4630 -0.4564 -0.4564 -0.3719 -0.3719 -0.3664 -0.3664 5.0677 5.0677 5.0686 5.0686 8.2560 8.2560 8.2568 8.2568 8.6095 8.6095 k = 0.3971 0.6134 0.2443 ( 5980 PWs) bands (ev): -20.8461 -20.8461 -20.8461 -20.8461 -20.1597 -20.1597 -20.1597 -20.1597 -18.4611 -18.4611 -18.4611 -18.4611 -9.5315 -9.5315 -9.5298 -9.5298 -9.2883 -9.2883 -9.2858 -9.2858 -9.0563 -9.0563 -9.0554 -9.0554 -8.6638 -8.6638 -8.6623 -8.6623 -5.5555 -5.5555 -5.5552 -5.5552 -4.7681 -4.7681 -4.7650 -4.7650 -4.6311 -4.6311 -4.6279 -4.6279 -1.1150 -1.1150 -1.1132 -1.1132 -0.4595 -0.4595 -0.4533 -0.4533 -0.3678 -0.3678 -0.3628 -0.3628 5.0630 5.0630 5.0639 5.0639 8.2673 8.2673 8.2681 8.2681 8.6294 8.6294 k = 0.4118 0.6134 0.2443 ( 5988 PWs) bands (ev): -20.8457 -20.8457 -20.8457 -20.8457 -20.1591 -20.1591 -20.1591 -20.1591 -18.4621 -18.4621 -18.4621 -18.4621 -9.5330 -9.5330 -9.5314 -9.5314 -9.2919 -9.2919 -9.2895 -9.2895 -9.0572 -9.0572 -9.0564 -9.0564 -8.6638 -8.6638 -8.6624 -8.6624 -5.5519 -5.5519 -5.5516 -5.5516 -4.7669 -4.7669 -4.7638 -4.7638 -4.6288 -4.6288 -4.6257 -4.6257 -1.1131 -1.1131 -1.1114 -1.1114 -0.4565 -0.4565 -0.4506 -0.4506 -0.3642 -0.3642 -0.3597 -0.3597 5.0590 5.0590 5.0598 5.0598 8.2756 8.2756 8.2763 8.2763 8.6498 8.6498 k = 0.4265 0.6134 0.2443 ( 5986 PWs) bands (ev): -20.8454 -20.8454 -20.8454 -20.8454 -20.1586 -20.1586 -20.1586 -20.1586 -18.4630 -18.4630 -18.4630 -18.4630 -9.5344 -9.5344 -9.5328 -9.5328 -9.2950 -9.2950 -9.2927 -9.2927 -9.0580 -9.0580 -9.0573 -9.0573 -8.6638 -8.6638 -8.6624 -8.6624 -5.5488 -5.5488 -5.5485 -5.5485 -4.7660 -4.7660 -4.7629 -4.7629 -4.6267 -4.6267 -4.6237 -4.6237 -1.1116 -1.1116 -1.1098 -1.1098 -0.4539 -0.4539 -0.4482 -0.4482 -0.3610 -0.3610 -0.3571 -0.3571 5.0555 5.0555 5.0563 5.0563 8.2815 8.2815 8.2822 8.2822 8.6698 8.6698 k = 0.4412 0.6134 0.2443 ( 5970 PWs) bands (ev): -20.8451 -20.8451 -20.8451 -20.8451 -20.1581 -20.1581 -20.1581 -20.1581 -18.4637 -18.4637 -18.4637 -18.4637 -9.5354 -9.5354 -9.5339 -9.5339 -9.2976 -9.2976 -9.2954 -9.2954 -9.0586 -9.0586 -9.0580 -9.0580 -8.6638 -8.6638 -8.6624 -8.6624 -5.5462 -5.5462 -5.5459 -5.5459 -4.7653 -4.7653 -4.7623 -4.7623 -4.6250 -4.6250 -4.6220 -4.6220 -1.1103 -1.1103 -1.1085 -1.1085 -0.4516 -0.4516 -0.4463 -0.4463 -0.3583 -0.3583 -0.3549 -0.3549 5.0527 5.0527 5.0534 5.0534 8.2856 8.2856 8.2863 8.2863 8.6879 8.6879 k = 0.4559 0.6134 0.2443 ( 5970 PWs) bands (ev): -20.8449 -20.8449 -20.8449 -20.8449 -20.1578 -20.1578 -20.1578 -20.1578 -18.4643 -18.4643 -18.4642 -18.4642 -9.5363 -9.5363 -9.5348 -9.5348 -9.2996 -9.2996 -9.2975 -9.2975 -9.0591 -9.0591 -9.0585 -9.0585 -8.6638 -8.6638 -8.6624 -8.6624 -5.5442 -5.5442 -5.5438 -5.5438 -4.7648 -4.7648 -4.7618 -4.7618 -4.6236 -4.6236 -4.6207 -4.6207 -1.1093 -1.1093 -1.1075 -1.1075 -0.4499 -0.4499 -0.4448 -0.4448 -0.3561 -0.3561 -0.3532 -0.3532 5.0506 5.0506 5.0512 5.0512 8.2883 8.2883 8.2890 8.2890 8.7033 8.7033 k = 0.4706 0.6134 0.2443 ( 5966 PWs) bands (ev): -20.8447 -20.8447 -20.8447 -20.8447 -20.1575 -20.1575 -20.1575 -20.1575 -18.4647 -18.4647 -18.4647 -18.4647 -9.5369 -9.5369 -9.5355 -9.5355 -9.3011 -9.3011 -9.2990 -9.2990 -9.0595 -9.0595 -9.0589 -9.0589 -8.6638 -8.6638 -8.6624 -8.6624 -5.5427 -5.5427 -5.5424 -5.5424 -4.7644 -4.7644 -4.7614 -4.7614 -4.6226 -4.6226 -4.6197 -4.6197 -1.1086 -1.1086 -1.1067 -1.1067 -0.4486 -0.4486 -0.4437 -0.4437 -0.3546 -0.3546 -0.3520 -0.3520 5.0490 5.0490 5.0496 5.0496 8.2900 8.2900 8.2906 8.2906 8.7150 8.7150 k = 0.4853 0.6134 0.2443 ( 5964 PWs) bands (ev): -20.8446 -20.8446 -20.8446 -20.8446 -20.1573 -20.1573 -20.1573 -20.1573 -18.4649 -18.4649 -18.4649 -18.4649 -9.5373 -9.5373 -9.5359 -9.5359 -9.3020 -9.3020 -9.2999 -9.2999 -9.0597 -9.0597 -9.0591 -9.0591 -8.6638 -8.6638 -8.6624 -8.6624 -5.5418 -5.5418 -5.5415 -5.5415 -4.7642 -4.7642 -4.7613 -4.7613 -4.6220 -4.6220 -4.6191 -4.6191 -1.1081 -1.1081 -1.1063 -1.1063 -0.4479 -0.4479 -0.4430 -0.4430 -0.3536 -0.3536 -0.3513 -0.3513 5.0481 5.0481 5.0487 5.0487 8.2909 8.2909 8.2916 8.2916 8.7223 8.7229 k = 0.5000 0.6134 0.2443 ( 5964 PWs) bands (ev): -20.8446 -20.8446 -20.8446 -20.8446 -20.1573 -20.1573 -20.1573 -20.1573 -18.4650 -18.4650 -18.4650 -18.4650 -9.5374 -9.5374 -9.5360 -9.5360 -9.3023 -9.3023 -9.3002 -9.3002 -9.0597 -9.0597 -9.0592 -9.0592 -8.6638 -8.6638 -8.6624 -8.6624 -5.5415 -5.5415 -5.5412 -5.5412 -4.7642 -4.7642 -4.7612 -4.7612 -4.6217 -4.6217 -4.6189 -4.6189 -1.1080 -1.1080 -1.1062 -1.1062 -0.4476 -0.4476 -0.4428 -0.4428 -0.3532 -0.3532 -0.3511 -0.3511 5.0478 5.0478 5.0484 5.0484 8.2912 8.2912 8.2918 8.2918 8.7247 8.7248 k = 0.5000 0.6134 0.2443 ( 5964 PWs) bands (ev): -20.8446 -20.8446 -20.8446 -20.8446 -20.1573 -20.1573 -20.1573 -20.1573 -18.4650 -18.4650 -18.4650 -18.4650 -9.5374 -9.5374 -9.5360 -9.5360 -9.3023 -9.3023 -9.3002 -9.3002 -9.0597 -9.0597 -9.0592 -9.0592 -8.6638 -8.6638 -8.6624 -8.6624 -5.5415 -5.5415 -5.5412 -5.5412 -4.7642 -4.7642 -4.7612 -4.7612 -4.6217 -4.6217 -4.6189 -4.6189 -1.1080 -1.1080 -1.1062 -1.1062 -0.4476 -0.4476 -0.4428 -0.4428 -0.3532 -0.3532 -0.3511 -0.3511 5.0478 5.0478 5.0484 5.0484 8.2912 8.2912 8.2918 8.2918 8.7248 8.7248 k = 0.5000 0.6184 0.2317 ( 5972 PWs) bands (ev): -20.8447 -20.8447 -20.8445 -20.8445 -20.1573 -20.1573 -20.1573 -20.1573 -18.4652 -18.4652 -18.4648 -18.4648 -9.5418 -9.5404 -9.5330 -9.5316 -9.3087 -9.3065 -9.2960 -9.2940 -9.0623 -9.0618 -9.0570 -9.0564 -8.6653 -8.6638 -8.6624 -8.6610 -5.5447 -5.5444 -5.5385 -5.5382 -4.7657 -4.7629 -4.7624 -4.7594 -4.6233 -4.6204 -4.6200 -4.6173 -1.1097 -1.1079 -1.1061 -1.1043 -0.4497 -0.4454 -0.4450 -0.4406 -0.3562 -0.3541 -0.3504 -0.3483 5.0358 5.0363 5.0602 5.0608 8.2802 8.2809 8.3004 8.3010 8.7077 8.7083 k = 0.5000 0.6184 0.2317 ( 5972 PWs) bands (ev): -20.8447 -20.8447 -20.8445 -20.8445 -20.1573 -20.1573 -20.1573 -20.1573 -18.4652 -18.4652 -18.4648 -18.4648 -9.5418 -9.5404 -9.5330 -9.5316 -9.3087 -9.3065 -9.2960 -9.2940 -9.0623 -9.0618 -9.0570 -9.0564 -8.6653 -8.6638 -8.6624 -8.6610 -5.5447 -5.5444 -5.5385 -5.5382 -4.7657 -4.7629 -4.7624 -4.7594 -4.6233 -4.6204 -4.6200 -4.6173 -1.1097 -1.1079 -1.1061 -1.1043 -0.4497 -0.4454 -0.4450 -0.4406 -0.3562 -0.3541 -0.3504 -0.3483 5.0358 5.0363 5.0602 5.0608 8.2802 8.2809 8.3004 8.3010 8.7077 8.7083 k = 0.5000 0.6181 0.2174 ( 5972 PWs) bands (ev): -20.8447 -20.8447 -20.8444 -20.8444 -20.1573 -20.1573 -20.1573 -20.1573 -18.4653 -18.4653 -18.4647 -18.4647 -9.5463 -9.5450 -9.5285 -9.5270 -9.3150 -9.3128 -9.2899 -9.2880 -9.0649 -9.0645 -9.0538 -9.0532 -8.6671 -8.6656 -8.6607 -8.6594 -5.5468 -5.5465 -5.5372 -5.5370 -4.7681 -4.7654 -4.7600 -4.7568 -4.6253 -4.6223 -4.6175 -4.6149 -1.1123 -1.1106 -1.1032 -1.1013 -0.4514 -0.4467 -0.4442 -0.4394 -0.3596 -0.3576 -0.3468 -0.3446 5.0213 5.0219 5.0753 5.0759 8.2652 8.2659 8.3151 8.3157 8.6898 8.6903 k = 0.5000 0.6178 0.2030 ( 5968 PWs) bands (ev): -20.8448 -20.8448 -20.8443 -20.8443 -20.1574 -20.1574 -20.1572 -20.1572 -18.4654 -18.4654 -18.4646 -18.4646 -9.5508 -9.5495 -9.5240 -9.5224 -9.3213 -9.3191 -9.2840 -9.2821 -9.0673 -9.0669 -9.0504 -9.0497 -8.6689 -8.6674 -8.6590 -8.6578 -5.5490 -5.5487 -5.5363 -5.5360 -4.7704 -4.7678 -4.7576 -4.7544 -4.6270 -4.6240 -4.6148 -4.6124 -1.1148 -1.1131 -1.1001 -1.0983 -0.4533 -0.4487 -0.4431 -0.4385 -0.3629 -0.3610 -0.3431 -0.3409 5.0074 5.0080 5.0905 5.0910 8.2505 8.2513 8.3299 8.3304 8.6712 8.6717 k = 0.5000 0.6175 0.1886 ( 5970 PWs) bands (ev): -20.8449 -20.8449 -20.8443 -20.8443 -20.1574 -20.1574 -20.1572 -20.1572 -18.4655 -18.4655 -18.4645 -18.4645 -9.5552 -9.5540 -9.5196 -9.5180 -9.3276 -9.3254 -9.2783 -9.2765 -9.0695 -9.0691 -9.0469 -9.0462 -8.6708 -8.6692 -8.6575 -8.6563 -5.5515 -5.5512 -5.5356 -5.5353 -4.7726 -4.7702 -4.7552 -4.7520 -4.6285 -4.6254 -4.6120 -4.6097 -1.1171 -1.1154 -1.0970 -1.0951 -0.4553 -0.4509 -0.4423 -0.4378 -0.3659 -0.3641 -0.3393 -0.3372 4.9940 4.9945 5.1055 5.1061 8.2362 8.2369 8.3446 8.3452 8.6524 8.6528 k = 0.5000 0.6172 0.1743 ( 5972 PWs) bands (ev): -20.8450 -20.8450 -20.8442 -20.8442 -20.1574 -20.1574 -20.1572 -20.1572 -18.4656 -18.4656 -18.4644 -18.4644 -9.5595 -9.5584 -9.5153 -9.5137 -9.3337 -9.3315 -9.2729 -9.2712 -9.0715 -9.0712 -9.0433 -9.0425 -8.6726 -8.6711 -8.6560 -8.6548 -5.5541 -5.5538 -5.5352 -5.5349 -4.7748 -4.7725 -4.7529 -4.7498 -4.6297 -4.6266 -4.6092 -4.6071 -1.1192 -1.1176 -1.0938 -1.0920 -0.4576 -0.4534 -0.4417 -0.4374 -0.3687 -0.3671 -0.3355 -0.3335 4.9812 4.9817 5.1204 5.1209 8.2222 8.2229 8.3593 8.3598 8.6337 8.6340 k = 0.5000 0.6169 0.1599 ( 5980 PWs) bands (ev): -20.8451 -20.8451 -20.8441 -20.8441 -20.1574 -20.1574 -20.1572 -20.1572 -18.4657 -18.4657 -18.4643 -18.4643 -9.5636 -9.5626 -9.5112 -9.5097 -9.3396 -9.3375 -9.2677 -9.2661 -9.0733 -9.0729 -9.0396 -9.0388 -8.6745 -8.6730 -8.6546 -8.6535 -5.5568 -5.5565 -5.5350 -5.5347 -4.7768 -4.7747 -4.7507 -4.7477 -4.6306 -4.6276 -4.6064 -4.6044 -1.1212 -1.1196 -1.0906 -1.0889 -0.4599 -0.4560 -0.4413 -0.4372 -0.3713 -0.3698 -0.3317 -0.3299 4.9691 4.9696 5.1348 5.1353 8.2086 8.2093 8.3739 8.3744 8.6153 8.6156 k = 0.5000 0.6166 0.1455 ( 5982 PWs) bands (ev): -20.8452 -20.8452 -20.8440 -20.8440 -20.1574 -20.1574 -20.1571 -20.1571 -18.4658 -18.4658 -18.4642 -18.4642 -9.5675 -9.5666 -9.5073 -9.5057 -9.3454 -9.3433 -9.2629 -9.2614 -9.0748 -9.0745 -9.0358 -9.0351 -8.6763 -8.6748 -8.6532 -8.6522 -5.5595 -5.5592 -5.5350 -5.5348 -4.7786 -4.7767 -4.7487 -4.7457 -4.6312 -4.6284 -4.6036 -4.6017 -1.1229 -1.1215 -1.0874 -1.0858 -0.4623 -0.4587 -0.4410 -0.4372 -0.3736 -0.3722 -0.3281 -0.3263 4.9578 4.9582 5.1488 5.1493 8.1957 8.1963 8.3883 8.3887 8.5976 8.5978 k = 0.5000 0.6163 0.1312 ( 5978 PWs) bands (ev): -20.8453 -20.8453 -20.8440 -20.8439 -20.1575 -20.1574 -20.1571 -20.1571 -18.4659 -18.4659 -18.4642 -18.4642 -9.5712 -9.5704 -9.5036 -9.5020 -9.3508 -9.3488 -9.2584 -9.2570 -9.0762 -9.0759 -9.0321 -9.0314 -8.6781 -8.6767 -8.6520 -8.6510 -5.5622 -5.5620 -5.5352 -5.5350 -4.7803 -4.7786 -4.7468 -4.7440 -4.6316 -4.6289 -4.6008 -4.5992 -1.1245 -1.1232 -1.0843 -1.0828 -0.4648 -0.4614 -0.4409 -0.4373 -0.3756 -0.3745 -0.3245 -0.3229 4.9473 4.9477 5.1622 5.1626 8.1833 8.1840 8.4023 8.4027 8.5808 8.5810 k = 0.5000 0.6160 0.1168 ( 5976 PWs) bands (ev): -20.8453 -20.8453 -20.8439 -20.8439 -20.1575 -20.1575 -20.1571 -20.1571 -18.4659 -18.4659 -18.4641 -18.4641 -9.5747 -9.5739 -9.5000 -9.4985 -9.3559 -9.3539 -9.2542 -9.2530 -9.0773 -9.0771 -9.0285 -9.0277 -8.6798 -8.6785 -8.6508 -8.6500 -5.5649 -5.5647 -5.5356 -5.5354 -4.7819 -4.7803 -4.7451 -4.7424 -4.6318 -4.6293 -4.5982 -4.5967 -1.1259 -1.1247 -1.0814 -1.0799 -0.4672 -0.4641 -0.4408 -0.4376 -0.3775 -0.3765 -0.3212 -0.3197 4.9376 4.9381 5.1748 5.1752 8.1717 8.1723 8.4159 8.4163 8.5651 8.5652 k = 0.5000 0.6157 0.1024 ( 5980 PWs) bands (ev): -20.8454 -20.8454 -20.8438 -20.8438 -20.1575 -20.1575 -20.1570 -20.1570 -18.4660 -18.4660 -18.4640 -18.4640 -9.5778 -9.5772 -9.4968 -9.4953 -9.3606 -9.3588 -9.2505 -9.2494 -9.0784 -9.0781 -9.0250 -9.0243 -8.6814 -8.6802 -8.6497 -8.6490 -5.5675 -5.5673 -5.5360 -5.5359 -4.7833 -4.7819 -4.7435 -4.7411 -4.6318 -4.6295 -4.5957 -4.5944 -1.1272 -1.1261 -1.0785 -1.0772 -0.4695 -0.4668 -0.4409 -0.4379 -0.3791 -0.3782 -0.3180 -0.3167 4.9289 4.9293 5.1864 5.1868 8.1610 8.1616 8.4289 8.4293 8.5506 8.5507 k = 0.5000 0.6155 0.0881 ( 5986 PWs) bands (ev): -20.8455 -20.8455 -20.8438 -20.8438 -20.1575 -20.1575 -20.1570 -20.1570 -18.4661 -18.4661 -18.4640 -18.4640 -9.5807 -9.5801 -9.4938 -9.4924 -9.3649 -9.3633 -9.2472 -9.2462 -9.0792 -9.0790 -9.0217 -9.0210 -8.6829 -8.6818 -8.6488 -8.6481 -5.5699 -5.5697 -5.5366 -5.5364 -4.7845 -4.7833 -4.7422 -4.7400 -4.6317 -4.6296 -4.5934 -4.5923 -1.1283 -1.1273 -1.0759 -1.0747 -0.4717 -0.4693 -0.4410 -0.4384 -0.3805 -0.3798 -0.3152 -0.3140 4.9212 4.9215 5.1971 5.1974 8.1512 8.1517 8.4412 8.4415 8.5376 8.5377 k = 0.5000 0.6152 0.0737 ( 5988 PWs) bands (ev): -20.8455 -20.8455 -20.8437 -20.8437 -20.1575 -20.1575 -20.1570 -20.1570 -18.4661 -18.4661 -18.4639 -18.4639 -9.5833 -9.5827 -9.4911 -9.4898 -9.3688 -9.3673 -9.2442 -9.2434 -9.0799 -9.0797 -9.0187 -9.0181 -8.6843 -8.6833 -8.6479 -8.6473 -5.5721 -5.5719 -5.5371 -5.5370 -4.7856 -4.7845 -4.7410 -4.7390 -4.6314 -4.6296 -4.5913 -4.5903 -1.1292 -1.1283 -1.0735 -1.0725 -0.4736 -0.4716 -0.4411 -0.4388 -0.3817 -0.3812 -0.3126 -0.3116 4.9144 4.9147 5.2066 5.2069 8.1425 8.1429 8.4525 8.4528 8.5262 8.5262 k = 0.5000 0.6149 0.0593 ( 5978 PWs) bands (ev): -20.8456 -20.8456 -20.8437 -20.8437 -20.1575 -20.1575 -20.1570 -20.1570 -18.4662 -18.4662 -18.4639 -18.4639 -9.5854 -9.5850 -9.4887 -9.4876 -9.3721 -9.3708 -9.2417 -9.2411 -9.0805 -9.0803 -9.0159 -9.0154 -8.6855 -8.6846 -8.6471 -8.6467 -5.5740 -5.5739 -5.5376 -5.5375 -4.7864 -4.7856 -4.7399 -4.7383 -4.6311 -4.6295 -4.5895 -4.5887 -1.1299 -1.1292 -1.0714 -1.0705 -0.4754 -0.4736 -0.4412 -0.4393 -0.3828 -0.3823 -0.3104 -0.3096 4.9087 4.9089 5.2148 5.2151 8.1349 8.1353 8.4627 8.4629 8.5164 8.5164 k = 0.5000 0.6146 0.0449 ( 5986 PWs) bands (ev): -20.8456 -20.8456 -20.8437 -20.8437 -20.1575 -20.1575 -20.1570 -20.1570 -18.4662 -18.4662 -18.4638 -18.4638 -9.5872 -9.5869 -9.4866 -9.4857 -9.3749 -9.3738 -9.2397 -9.2391 -9.0809 -9.0808 -9.0137 -9.0132 -8.6865 -8.6858 -8.6465 -8.6462 -5.5757 -5.5756 -5.5381 -5.5380 -4.7872 -4.7865 -4.7391 -4.7377 -4.6307 -4.6295 -4.5880 -4.5873 -1.1305 -1.1299 -1.0696 -1.0689 -0.4768 -0.4754 -0.4413 -0.4397 -0.3836 -0.3832 -0.3085 -0.3078 4.9039 4.9041 5.2217 5.2219 8.1286 8.1289 8.4714 8.4716 8.5082 8.5083 k = 0.5000 0.6143 0.0306 ( 5978 PWs) bands (ev): -20.8456 -20.8456 -20.8436 -20.8436 -20.1575 -20.1575 -20.1569 -20.1569 -18.4663 -18.4663 -18.4638 -18.4638 -9.5886 -9.5884 -9.4850 -9.4842 -9.3771 -9.3762 -9.2380 -9.2376 -9.0813 -9.0812 -9.0118 -9.0115 -8.6873 -8.6867 -8.6460 -8.6457 -5.5770 -5.5769 -5.5385 -5.5384 -4.7877 -4.7872 -4.7384 -4.7374 -4.6304 -4.6294 -4.5867 -4.5862 -1.1310 -1.1305 -1.0682 -1.0676 -0.4780 -0.4769 -0.4413 -0.4402 -0.3842 -0.3840 -0.3070 -0.3065 4.9002 4.9004 5.2272 5.2273 8.1236 8.1238 8.4786 8.4787 8.5019 8.5019 k = 0.5000 0.6140 0.0162 ( 5986 PWs) bands (ev): -20.8457 -20.8457 -20.8436 -20.8436 -20.1575 -20.1575 -20.1569 -20.1569 -18.4663 -18.4663 -18.4638 -18.4638 -9.5896 -9.5895 -9.4837 -9.4832 -9.3786 -9.3780 -9.2369 -9.2366 -9.0815 -9.0814 -9.0104 -9.0102 -8.6878 -8.6874 -8.6457 -8.6455 -5.5780 -5.5779 -5.5388 -5.5388 -4.7880 -4.7877 -4.7378 -4.7371 -4.6301 -4.6294 -4.5858 -4.5855 -1.1312 -1.1310 -1.0671 -1.0667 -0.4787 -0.4780 -0.4413 -0.4405 -0.3847 -0.3845 -0.3059 -0.3056 4.8976 4.8977 5.2311 5.2312 8.1199 8.1201 8.4838 8.4839 8.4973 8.4973 k = 0.5000 0.6137 0.0018 ( 5986 PWs) bands (ev): -20.8457 -20.8457 -20.8436 -20.8436 -20.1575 -20.1575 -20.1569 -20.1569 -18.4663 -18.4663 -18.4638 -18.4638 -9.5902 -9.5901 -9.4829 -9.4827 -9.3795 -9.3792 -9.2361 -9.2360 -9.0816 -9.0816 -9.0096 -9.0094 -8.6881 -8.6879 -8.6454 -8.6453 -5.5785 -5.5785 -5.5390 -5.5390 -4.7882 -4.7881 -4.7374 -4.7371 -4.6298 -4.6295 -4.5852 -4.5850 -1.1314 -1.1312 -1.0664 -1.0662 -0.4791 -0.4788 -0.4412 -0.4408 -0.3849 -0.3848 -0.3052 -0.3050 4.8960 4.8961 5.2335 5.2336 8.1178 8.1178 8.4871 8.4871 8.4946 8.4946 k = 0.5000 0.6134-0.0125 ( 5992 PWs) bands (ev): -20.8457 -20.8457 -20.8436 -20.8436 -20.1575 -20.1575 -20.1569 -20.1569 -18.4663 -18.4663 -18.4638 -18.4638 -9.5904 -9.5904 -9.4826 -9.4826 -9.3797 -9.3797 -9.2359 -9.2359 -9.0817 -9.0817 -9.0092 -9.0092 -8.6882 -8.6882 -8.6453 -8.6453 -5.5787 -5.5787 -5.5391 -5.5391 -4.7882 -4.7882 -4.7372 -4.7372 -4.6296 -4.6296 -4.5850 -4.5850 -1.1314 -1.1314 -1.0661 -1.0661 -0.4792 -0.4792 -0.4410 -0.4410 -0.3850 -0.3850 -0.3049 -0.3049 4.8955 4.8955 5.2343 5.2343 8.1171 8.1171 8.4882 8.4882 8.4937 8.4937 k = 0.5000 0.6134-0.0125 ( 5992 PWs) bands (ev): -20.8457 -20.8457 -20.8436 -20.8436 -20.1575 -20.1575 -20.1569 -20.1569 -18.4663 -18.4663 -18.4638 -18.4638 -9.5904 -9.5904 -9.4826 -9.4826 -9.3797 -9.3797 -9.2359 -9.2359 -9.0817 -9.0817 -9.0092 -9.0092 -8.6882 -8.6882 -8.6453 -8.6453 -5.5787 -5.5787 -5.5391 -5.5391 -4.7882 -4.7882 -4.7372 -4.7372 -4.6296 -4.6296 -4.5850 -4.5850 -1.1314 -1.1314 -1.0661 -1.0661 -0.4792 -0.4792 -0.4410 -0.4410 -0.3850 -0.3850 -0.3049 -0.3049 4.8955 4.8955 5.2343 5.2343 8.1171 8.1171 8.4882 8.4882 8.4937 8.4937 k = 0.4853 0.6134-0.0125 ( 5984 PWs) bands (ev): -20.8457 -20.8457 -20.8436 -20.8436 -20.1585 -20.1585 -20.1560 -20.1560 -18.4669 -18.4669 -18.4630 -18.4630 -9.5904 -9.5902 -9.4824 -9.4823 -9.3794 -9.3792 -9.2357 -9.2355 -9.0817 -9.0815 -9.0092 -9.0091 -8.6882 -8.6881 -8.6454 -8.6453 -5.5791 -5.5789 -5.5393 -5.5391 -4.7884 -4.7884 -4.7372 -4.7370 -4.6306 -4.6300 -4.5851 -4.5844 -1.1317 -1.1315 -1.0662 -1.0661 -0.4795 -0.4793 -0.4413 -0.4412 -0.3862 -0.3851 -0.3054 -0.3042 4.8957 4.8958 5.2347 5.2347 8.1150 8.1151 8.4803 8.4816 8.4985 8.4997 k = 0.4706 0.6134-0.0125 ( 5978 PWs) bands (ev): -20.8458 -20.8458 -20.8437 -20.8437 -20.1598 -20.1598 -20.1550 -20.1550 -18.4680 -18.4680 -18.4615 -18.4615 -9.5903 -9.5900 -9.4819 -9.4816 -9.3784 -9.3779 -9.2351 -9.2347 -9.0816 -9.0811 -9.0091 -9.0089 -8.6882 -8.6880 -8.6454 -8.6453 -5.5802 -5.5799 -5.5399 -5.5396 -4.7889 -4.7888 -4.7370 -4.7367 -4.6331 -4.6320 -4.5848 -4.5835 -1.1324 -1.1321 -1.0666 -1.0663 -0.4802 -0.4798 -0.4421 -0.4418 -0.3886 -0.3866 -0.3057 -0.3032 4.8965 4.8967 5.2357 5.2359 8.1089 8.1091 8.4689 8.4702 8.5049 8.5061 k = 0.4559 0.6134-0.0125 ( 5980 PWs) bands (ev): -20.8460 -20.8460 -20.8438 -20.8438 -20.1613 -20.1613 -20.1541 -20.1540 -18.4690 -18.4689 -18.4597 -18.4597 -9.5900 -9.5896 -9.4809 -9.4806 -9.3767 -9.3759 -9.2340 -9.2335 -9.0814 -9.0807 -9.0089 -9.0086 -8.6881 -8.6879 -8.6456 -8.6453 -5.5820 -5.5814 -5.5409 -5.5404 -4.7897 -4.7896 -4.7368 -4.7363 -4.6366 -4.6352 -4.5842 -4.5825 -1.1336 -1.1332 -1.0671 -1.0668 -0.4814 -0.4808 -0.4433 -0.4429 -0.3923 -0.3894 -0.3057 -0.3022 4.8978 4.8981 5.2375 5.2377 8.0984 8.0987 8.4556 8.4568 8.5111 8.5122 k = 0.4412 0.6134-0.0125 ( 5988 PWs) bands (ev): -20.8463 -20.8463 -20.8440 -20.8440 -20.1628 -20.1628 -20.1532 -20.1532 -18.4698 -18.4698 -18.4577 -18.4577 -9.5896 -9.5890 -9.4797 -9.4793 -9.3742 -9.3732 -9.2325 -9.2318 -9.0810 -9.0801 -9.0086 -9.0081 -8.6881 -8.6878 -8.6457 -8.6453 -5.5843 -5.5836 -5.5423 -5.5416 -4.7909 -4.7908 -4.7364 -4.7357 -4.6411 -4.6394 -4.5836 -4.5815 -1.1352 -1.1346 -1.0679 -1.0674 -0.4830 -0.4822 -0.4450 -0.4444 -0.3969 -0.3933 -0.3057 -0.3013 4.8997 4.9001 5.2400 5.2403 8.0834 8.0837 8.4413 8.4426 8.5173 8.5184 k = 0.4265 0.6134-0.0125 ( 5982 PWs) bands (ev): -20.8466 -20.8466 -20.8443 -20.8443 -20.1644 -20.1644 -20.1525 -20.1525 -18.4705 -18.4705 -18.4556 -18.4555 -9.5890 -9.5883 -9.4781 -9.4776 -9.3710 -9.3697 -9.2305 -9.2297 -9.0805 -9.0794 -9.0081 -9.0076 -8.6879 -8.6876 -8.6459 -8.6454 -5.5871 -5.5863 -5.5440 -5.5432 -4.7925 -4.7924 -4.7359 -4.7351 -4.6462 -4.6443 -4.5831 -4.5807 -1.1371 -1.1365 -1.0689 -1.0683 -0.4850 -0.4840 -0.4470 -0.4463 -0.4025 -0.3982 -0.3055 -0.3004 4.9021 4.9026 5.2432 5.2436 8.0635 8.0639 8.4272 8.4284 8.5239 8.5249 k = 0.4118 0.6134-0.0125 ( 5984 PWs) bands (ev): -20.8470 -20.8470 -20.8445 -20.8445 -20.1661 -20.1661 -20.1519 -20.1519 -18.4711 -18.4711 -18.4533 -18.4533 -9.5882 -9.5874 -9.4763 -9.4757 -9.3671 -9.3656 -9.2281 -9.2272 -9.0799 -9.0785 -9.0075 -9.0069 -8.6878 -8.6874 -8.6461 -8.6456 -5.5905 -5.5895 -5.5461 -5.5452 -4.7946 -4.7944 -4.7354 -4.7345 -4.6517 -4.6497 -4.5828 -4.5802 -1.1395 -1.1387 -1.0701 -1.0694 -0.4874 -0.4862 -0.4495 -0.4485 -0.4088 -0.4040 -0.3055 -0.2998 4.9051 4.9057 5.2471 5.2476 8.0387 8.0393 8.4140 8.4153 8.5308 8.5317 k = 0.3971 0.6134-0.0125 ( 5990 PWs) bands (ev): -20.8474 -20.8474 -20.8449 -20.8449 -20.1679 -20.1679 -20.1514 -20.1513 -18.4715 -18.4715 -18.4509 -18.4509 -9.5872 -9.5864 -9.4743 -9.4735 -9.3625 -9.3608 -9.2253 -9.2242 -9.0791 -9.0775 -9.0068 -9.0062 -8.6877 -8.6872 -8.6463 -8.6457 -5.5943 -5.5932 -5.5486 -5.5476 -4.7972 -4.7970 -4.7350 -4.7339 -4.6574 -4.6553 -4.5829 -4.5801 -1.1421 -1.1413 -1.0715 -1.0707 -0.4903 -0.4889 -0.4522 -0.4511 -0.4156 -0.4105 -0.3056 -0.2994 4.9087 4.9093 5.2518 5.2523 8.0093 8.0099 8.4022 8.4035 8.5378 8.5386 k = 0.3824 0.6134-0.0125 ( 5988 PWs) bands (ev): -20.8479 -20.8479 -20.8453 -20.8453 -20.1697 -20.1697 -20.1509 -20.1509 -18.4718 -18.4718 -18.4484 -18.4484 -9.5860 -9.5850 -9.4721 -9.4712 -9.3572 -9.3554 -9.2221 -9.2209 -9.0781 -9.0764 -9.0060 -9.0053 -8.6875 -8.6870 -8.6466 -8.6460 -5.5984 -5.5973 -5.5515 -5.5504 -4.8004 -4.8001 -4.7346 -4.7334 -4.6630 -4.6610 -4.5834 -4.5805 -1.1451 -1.1442 -1.0731 -1.0723 -0.4936 -0.4921 -0.4553 -0.4539 -0.4230 -0.4174 -0.3060 -0.2994 4.9128 4.9135 5.2571 5.2577 7.9758 7.9764 8.3917 8.3931 8.5448 8.5455 k = 0.3676 0.6134-0.0125 ( 5984 PWs) bands (ev): -20.8485 -20.8485 -20.8457 -20.8457 -20.1716 -20.1716 -20.1506 -20.1506 -18.4719 -18.4719 -18.4458 -18.4457 -9.5845 -9.5835 -9.4698 -9.4688 -9.3514 -9.3494 -9.2185 -9.2172 -9.0770 -9.0752 -9.0051 -9.0043 -8.6873 -8.6867 -8.6470 -8.6463 -5.6029 -5.6017 -5.5548 -5.5536 -4.8043 -4.8040 -4.7344 -4.7330 -4.6683 -4.6663 -4.5843 -4.5813 -1.1484 -1.1473 -1.0749 -1.0741 -0.4974 -0.4957 -0.4586 -0.4569 -0.4306 -0.4248 -0.3066 -0.2997 4.9175 4.9182 5.2631 5.2637 7.9387 7.9394 8.3824 8.3837 8.5516 8.5522 k = 0.3529 0.6134-0.0125 ( 5978 PWs) bands (ev): -20.8491 -20.8491 -20.8462 -20.8462 -20.1735 -20.1735 -20.1504 -20.1503 -18.4719 -18.4719 -18.4431 -18.4431 -9.5827 -9.5817 -9.4674 -9.4663 -9.3450 -9.3428 -9.2145 -9.2132 -9.0758 -9.0738 -9.0040 -9.0031 -8.6872 -8.6865 -8.6474 -8.6466 -5.6076 -5.6063 -5.5584 -5.5572 -4.8089 -4.8086 -4.7345 -4.7330 -4.6731 -4.6712 -4.5857 -4.5826 -1.1518 -1.1507 -1.0770 -1.0761 -0.5016 -0.4997 -0.4620 -0.4600 -0.4385 -0.4323 -0.3075 -0.3004 4.9227 4.9235 5.2698 5.2704 7.8988 7.8995 8.3736 8.3750 8.5579 8.5584 k = 0.3382 0.6134-0.0125 ( 5980 PWs) bands (ev): -20.8497 -20.8497 -20.8467 -20.8467 -20.1754 -20.1754 -20.1502 -20.1502 -18.4717 -18.4717 -18.4403 -18.4403 -9.5807 -9.5797 -9.4650 -9.4638 -9.3381 -9.3358 -9.2103 -9.2088 -9.0744 -9.0723 -9.0028 -9.0019 -8.6869 -8.6862 -8.6479 -8.6471 -5.6125 -5.6112 -5.5623 -5.5611 -4.8144 -4.8140 -4.7349 -4.7332 -4.6772 -4.6755 -4.5874 -4.5843 -1.1555 -1.1544 -1.0793 -1.0784 -0.5064 -0.5043 -0.4657 -0.4632 -0.4464 -0.4399 -0.3088 -0.3015 4.9286 4.9294 5.2770 5.2778 7.8567 7.8574 8.3650 8.3663 8.5637 8.5641 k = 0.3235 0.6134-0.0125 ( 5984 PWs) bands (ev): -20.8504 -20.8504 -20.8472 -20.8472 -20.1774 -20.1774 -20.1501 -20.1501 -18.4715 -18.4715 -18.4375 -18.4375 -9.5785 -9.5774 -9.4627 -9.4613 -9.3309 -9.3284 -9.2058 -9.2042 -9.0728 -9.0706 -9.0015 -9.0006 -8.6867 -8.6860 -8.6485 -8.6476 -5.6175 -5.6162 -5.5666 -5.5653 -4.8207 -4.8203 -4.7357 -4.7338 -4.6805 -4.6789 -4.5896 -4.5864 -1.1594 -1.1582 -1.0819 -1.0809 -0.5116 -0.5094 -0.4694 -0.4665 -0.4542 -0.4474 -0.3104 -0.3030 4.9349 4.9358 5.2849 5.2857 7.8131 7.8138 8.3559 8.3572 8.5689 8.5693 k = 0.3088 0.6134-0.0125 ( 5982 PWs) bands (ev): -20.8511 -20.8511 -20.8478 -20.8478 -20.1794 -20.1794 -20.1501 -20.1501 -18.4711 -18.4711 -18.4347 -18.4347 -9.5759 -9.5749 -9.4603 -9.4589 -9.3232 -9.3207 -9.2010 -9.1994 -9.0711 -9.0689 -9.0001 -8.9991 -8.6865 -8.6857 -8.6492 -8.6482 -5.6227 -5.6214 -5.5712 -5.5698 -4.8280 -4.8275 -4.7369 -4.7347 -4.6830 -4.6815 -4.5922 -4.5888 -1.1633 -1.1621 -1.0846 -1.0836 -0.5172 -0.5150 -0.4732 -0.4699 -0.4618 -0.4546 -0.3124 -0.3049 4.9418 4.9428 5.2933 5.2941 7.7685 7.7692 8.3459 8.3472 8.5737 8.5742 k = 0.2941 0.6134-0.0125 ( 5976 PWs) bands (ev): -20.8518 -20.8518 -20.8483 -20.8483 -20.1814 -20.1813 -20.1502 -20.1502 -18.4706 -18.4706 -18.4319 -18.4318 -9.5731 -9.5721 -9.4581 -9.4566 -9.3153 -9.3128 -9.1960 -9.1943 -9.0692 -9.0669 -8.9985 -8.9975 -8.6863 -8.6855 -8.6500 -8.6489 -5.6279 -5.6265 -5.5760 -5.5746 -4.8361 -4.8356 -4.7383 -4.7360 -4.6846 -4.6832 -4.5951 -4.5917 -1.1674 -1.1662 -1.0875 -1.0865 -0.5234 -0.5212 -0.4771 -0.4732 -0.4691 -0.4614 -0.3147 -0.3071 4.9492 4.9502 5.3022 5.3030 7.7234 7.7241 8.3349 8.3362 8.5783 8.5788 k = 0.2794 0.6134-0.0125 ( 5978 PWs) bands (ev): -20.8526 -20.8526 -20.8489 -20.8489 -20.1833 -20.1833 -20.1503 -20.1503 -18.4701 -18.4701 -18.4290 -18.4290 -9.5701 -9.5691 -9.4559 -9.4544 -9.3073 -9.3047 -9.1908 -9.1891 -9.0672 -9.0648 -8.9968 -8.9958 -8.6861 -8.6853 -8.6508 -8.6498 -5.6330 -5.6317 -5.5809 -5.5796 -4.8449 -4.8444 -4.7400 -4.7375 -4.6856 -4.6841 -4.5982 -4.5948 -1.1715 -1.1703 -1.0905 -1.0895 -0.5300 -0.5278 -0.4811 -0.4766 -0.4758 -0.4678 -0.3172 -0.3097 4.9571 4.9581 5.3115 5.3124 7.6781 7.6789 8.3226 8.3239 8.5828 8.5835 k = 0.2647 0.6134-0.0125 ( 5974 PWs) bands (ev): -20.8534 -20.8534 -20.8495 -20.8495 -20.1853 -20.1853 -20.1505 -20.1505 -18.4695 -18.4695 -18.4262 -18.4262 -9.5668 -9.5658 -9.4539 -9.4523 -9.2992 -9.2966 -9.1855 -9.1838 -9.0649 -9.0626 -8.9950 -8.9941 -8.6859 -8.6850 -8.6518 -8.6507 -5.6381 -5.6368 -5.5861 -5.5847 -4.8545 -4.8539 -4.7417 -4.7392 -4.6859 -4.6843 -4.6017 -4.5982 -1.1757 -1.1745 -1.0937 -1.0927 -0.5370 -0.5348 -0.4853 -0.4821 -0.4796 -0.4735 -0.3201 -0.3126 4.9655 4.9665 5.3213 5.3221 7.6332 7.6339 8.3092 8.3105 8.5875 8.5882 k = 0.2500 0.6134-0.0125 ( 5972 PWs) bands (ev): -20.8541 -20.8541 -20.8502 -20.8502 -20.1872 -20.1872 -20.1508 -20.1507 -18.4688 -18.4688 -18.4234 -18.4234 -9.5633 -9.5624 -9.4520 -9.4504 -9.2911 -9.2885 -9.1801 -9.1784 -9.0624 -9.0601 -8.9931 -8.9922 -8.6857 -8.6848 -8.6529 -8.6517 -5.6431 -5.6418 -5.5913 -5.5899 -4.8645 -4.8639 -4.7436 -4.7410 -4.6858 -4.6841 -4.6052 -4.6017 -1.1798 -1.1786 -1.0971 -1.0960 -0.5443 -0.5422 -0.4899 -0.4874 -0.4828 -0.4786 -0.3232 -0.3158 4.9742 4.9752 5.3313 5.3321 7.5888 7.5896 8.2948 8.2960 8.5923 8.5931 k = 0.2353 0.6134-0.0125 ( 5974 PWs) bands (ev): -20.8549 -20.8549 -20.8508 -20.8508 -20.1890 -20.1890 -20.1510 -20.1510 -18.4681 -18.4681 -18.4207 -18.4206 -9.5596 -9.5587 -9.4503 -9.4487 -9.2831 -9.2806 -9.1747 -9.1730 -9.0598 -9.0576 -8.9911 -8.9902 -8.6856 -8.6847 -8.6540 -8.6529 -5.6480 -5.6467 -5.5965 -5.5951 -4.8750 -4.8744 -4.7454 -4.7428 -4.6853 -4.6836 -4.6090 -4.6054 -1.1839 -1.1827 -1.1004 -1.0994 -0.5518 -0.5498 -0.4948 -0.4919 -0.4859 -0.4830 -0.3265 -0.3192 4.9832 4.9842 5.3415 5.3423 7.5453 7.5460 8.2794 8.2806 8.5973 8.5982 k = 0.2206 0.6134-0.0125 ( 5978 PWs) bands (ev): -20.8556 -20.8556 -20.8514 -20.8514 -20.1909 -20.1909 -20.1513 -20.1513 -18.4673 -18.4673 -18.4180 -18.4180 -9.5558 -9.5549 -9.4488 -9.4472 -9.2754 -9.2729 -9.1693 -9.1675 -9.0570 -9.0548 -8.9891 -8.9882 -8.6854 -8.6845 -8.6553 -8.6542 -5.6527 -5.6515 -5.6018 -5.6004 -4.8857 -4.8850 -4.7472 -4.7447 -4.6846 -4.6828 -4.6128 -4.6092 -1.1879 -1.1868 -1.1039 -1.1029 -0.5594 -0.5575 -0.4995 -0.4960 -0.4889 -0.4869 -0.3299 -0.3228 4.9926 4.9935 5.3519 5.3527 7.5030 7.5037 8.2635 8.2646 8.6025 8.6034 k = 0.2059 0.6134-0.0125 ( 5980 PWs) bands (ev): -20.8564 -20.8564 -20.8520 -20.8520 -20.1926 -20.1926 -20.1516 -20.1516 -18.4665 -18.4665 -18.4154 -18.4154 -9.5518 -9.5510 -9.4474 -9.4459 -9.2680 -9.2656 -9.1638 -9.1621 -9.0541 -9.0520 -8.9870 -8.9861 -8.6853 -8.6844 -8.6567 -8.6555 -5.6573 -5.6560 -5.6070 -5.6056 -4.8965 -4.8958 -4.7490 -4.7465 -4.6837 -4.6818 -4.6166 -4.6131 -1.1918 -1.1907 -1.1073 -1.1064 -0.5670 -0.5651 -0.5038 -0.4998 -0.4919 -0.4902 -0.3335 -0.3266 5.0021 5.0030 5.3623 5.3631 7.4620 7.4626 8.2472 8.2483 8.6078 8.6087 k = 0.1912 0.6134-0.0125 ( 5972 PWs) bands (ev): -20.8571 -20.8571 -20.8526 -20.8526 -20.1943 -20.1943 -20.1520 -20.1520 -18.4657 -18.4657 -18.4129 -18.4129 -9.5477 -9.5470 -9.4463 -9.4448 -9.2610 -9.2587 -9.1584 -9.1567 -9.0510 -9.0490 -8.9848 -8.9840 -8.6852 -8.6843 -8.6581 -8.6570 -5.6616 -5.6604 -5.6121 -5.6107 -4.9073 -4.9066 -4.7507 -4.7483 -4.6827 -4.6808 -4.6203 -4.6168 -1.1956 -1.1945 -1.1107 -1.1098 -0.5745 -0.5727 -0.5076 -0.5033 -0.4948 -0.4932 -0.3372 -0.3305 5.0117 5.0126 5.3726 5.3734 7.4226 7.4232 8.2308 8.2318 8.6131 8.6141 k = 0.1765 0.6134-0.0125 ( 5972 PWs) bands (ev): -20.8578 -20.8578 -20.8532 -20.8532 -20.1959 -20.1959 -20.1523 -20.1523 -18.4649 -18.4649 -18.4106 -18.4105 -9.5436 -9.5429 -9.4453 -9.4439 -9.2544 -9.2523 -9.1530 -9.1514 -9.0478 -9.0459 -8.9826 -8.9818 -8.6850 -8.6841 -8.6597 -8.6586 -5.6656 -5.6645 -5.6170 -5.6156 -4.9179 -4.9172 -4.7523 -4.7500 -4.6816 -4.6797 -4.6240 -4.6206 -1.1992 -1.1981 -1.1140 -1.1132 -0.5817 -0.5801 -0.5110 -0.5065 -0.4975 -0.4959 -0.3409 -0.3345 5.0213 5.0222 5.3828 5.3835 7.3851 7.3857 8.2146 8.2156 8.6185 8.6194 k = 0.1618 0.6134-0.0125 ( 5964 PWs) bands (ev): -20.8585 -20.8585 -20.8537 -20.8537 -20.1974 -20.1974 -20.1526 -20.1526 -18.4642 -18.4642 -18.4083 -18.4083 -9.5395 -9.5388 -9.4446 -9.4432 -9.2483 -9.2464 -9.1478 -9.1463 -9.0446 -9.0428 -8.9804 -8.9796 -8.6849 -8.6840 -8.6613 -8.6602 -5.6694 -5.6683 -5.6216 -5.6203 -4.9281 -4.9275 -4.7539 -4.7517 -4.6806 -4.6786 -4.6275 -4.6242 -1.2026 -1.2016 -1.1172 -1.1164 -0.5887 -0.5871 -0.5139 -0.5094 -0.5001 -0.4984 -0.3446 -0.3385 5.0308 5.0317 5.3927 5.3934 7.3496 7.3501 8.1988 8.1997 8.6237 8.6246 k = 0.1471 0.6134-0.0125 ( 5968 PWs) bands (ev): -20.8591 -20.8591 -20.8542 -20.8542 -20.1988 -20.1988 -20.1530 -20.1530 -18.4634 -18.4634 -18.4062 -18.4062 -9.5354 -9.5348 -9.4440 -9.4427 -9.2429 -9.2411 -9.1428 -9.1413 -9.0414 -9.0398 -8.9782 -8.9775 -8.6848 -8.6839 -8.6629 -8.6619 -5.6729 -5.6718 -5.6261 -5.6248 -4.9379 -4.9373 -4.7555 -4.7534 -4.6795 -4.6776 -4.6308 -4.6276 -1.2058 -1.2048 -1.1203 -1.1196 -0.5953 -0.5938 -0.5164 -0.5118 -0.5025 -0.5007 -0.3482 -0.3424 5.0401 5.0409 5.4022 5.4029 7.3163 7.3168 8.1835 8.1844 8.6288 8.6297 k = 0.1324 0.6134-0.0125 ( 5978 PWs) bands (ev): -20.8597 -20.8597 -20.8547 -20.8547 -20.2001 -20.2001 -20.1533 -20.1533 -18.4627 -18.4627 -18.4043 -18.4043 -9.5314 -9.5308 -9.4437 -9.4424 -9.2380 -9.2364 -9.1380 -9.1366 -9.0382 -9.0368 -8.9760 -8.9753 -8.6847 -8.6839 -8.6645 -8.6636 -5.6761 -5.6751 -5.6302 -5.6290 -4.9472 -4.9466 -4.7569 -4.7550 -4.6785 -4.6766 -4.6339 -4.6309 -1.2087 -1.2079 -1.1232 -1.1225 -0.6014 -0.6001 -0.5185 -0.5140 -0.5047 -0.5029 -0.3516 -0.3462 5.0490 5.0498 5.4112 5.4118 7.2855 7.2860 8.1691 8.1699 8.6336 8.6344 k = 0.1176 0.6134-0.0125 ( 5980 PWs) bands (ev): -20.8602 -20.8602 -20.8552 -20.8552 -20.2012 -20.2012 -20.1536 -20.1536 -18.4621 -18.4620 -18.4025 -18.4025 -9.5275 -9.5270 -9.4435 -9.4423 -9.2338 -9.2323 -9.1334 -9.1322 -9.0352 -9.0339 -8.9739 -8.9733 -8.6845 -8.6838 -8.6662 -8.6653 -5.6790 -5.6780 -5.6340 -5.6329 -4.9558 -4.9552 -4.7583 -4.7565 -4.6775 -4.6757 -4.6368 -4.6339 -1.2114 -1.2106 -1.1259 -1.1253 -0.6070 -0.6058 -0.5201 -0.5158 -0.5068 -0.5048 -0.3549 -0.3499 5.0575 5.0581 5.4197 5.4202 7.2573 7.2578 8.1557 8.1564 8.6381 8.6389 k = 0.1029 0.6134-0.0125 ( 5976 PWs) bands (ev): -20.8607 -20.8607 -20.8556 -20.8556 -20.2023 -20.2023 -20.1539 -20.1539 -18.4614 -18.4614 -18.4010 -18.4010 -9.5238 -9.5234 -9.4434 -9.4424 -9.2301 -9.2288 -9.1292 -9.1281 -9.0324 -9.0313 -8.9719 -8.9713 -8.6844 -8.6837 -8.6677 -8.6670 -5.6815 -5.6807 -5.6374 -5.6364 -4.9636 -4.9631 -4.7595 -4.7579 -4.6766 -4.6749 -4.6393 -4.6366 -1.2138 -1.2131 -1.1284 -1.1278 -0.6121 -0.6110 -0.5214 -0.5173 -0.5086 -0.5067 -0.3578 -0.3534 5.0653 5.0659 5.4274 5.4278 7.2320 7.2324 8.1435 8.1441 8.6423 8.6430 k = 0.0882 0.6134-0.0125 ( 5978 PWs) bands (ev): -20.8611 -20.8611 -20.8559 -20.8559 -20.2032 -20.2032 -20.1542 -20.1542 -18.4609 -18.4609 -18.3996 -18.3996 -9.5205 -9.5201 -9.4435 -9.4426 -9.2269 -9.2259 -9.1254 -9.1244 -9.0298 -9.0288 -8.9700 -8.9695 -8.6842 -8.6836 -8.6692 -8.6686 -5.6837 -5.6830 -5.6404 -5.6395 -4.9706 -4.9701 -4.7606 -4.7592 -4.6757 -4.6741 -4.6415 -4.6391 -1.2159 -1.2153 -1.1305 -1.1301 -0.6165 -0.6156 -0.5224 -0.5185 -0.5102 -0.5083 -0.3605 -0.3566 5.0725 5.0730 5.4343 5.4347 7.2096 7.2100 8.1325 8.1331 8.6460 8.6467 k = 0.0735 0.6134-0.0125 ( 5972 PWs) bands (ev): -20.8615 -20.8615 -20.8562 -20.8562 -20.2040 -20.2040 -20.1544 -20.1544 -18.4604 -18.4604 -18.3984 -18.3984 -9.5174 -9.5171 -9.4437 -9.4429 -9.2243 -9.2235 -9.1221 -9.1212 -9.0274 -9.0267 -8.9683 -8.9679 -8.6840 -8.6835 -8.6706 -8.6700 -5.6856 -5.6850 -5.6429 -5.6421 -4.9766 -4.9762 -4.7616 -4.7604 -4.6749 -4.6735 -4.6434 -4.6413 -1.2177 -1.2172 -1.1324 -1.1320 -0.6203 -0.6196 -0.5230 -0.5195 -0.5116 -0.5098 -0.3628 -0.3595 5.0787 5.0792 5.4403 5.4406 7.1904 7.1907 8.1231 8.1235 8.6493 8.6499 k = 0.0588 0.6134-0.0125 ( 5964 PWs) bands (ev): -20.8618 -20.8618 -20.8565 -20.8565 -20.2046 -20.2046 -20.1546 -20.1546 -18.4600 -18.4600 -18.3974 -18.3974 -9.5148 -9.5145 -9.4439 -9.4432 -9.2222 -9.2216 -9.1192 -9.1185 -9.0255 -9.0249 -8.9668 -8.9665 -8.6838 -8.6833 -8.6717 -8.6713 -5.6871 -5.6866 -5.6450 -5.6444 -4.9817 -4.9813 -4.7624 -4.7614 -4.6742 -4.6730 -4.6449 -4.6431 -1.2191 -1.2187 -1.1340 -1.1337 -0.6235 -0.6229 -0.5233 -0.5203 -0.5128 -0.5111 -0.3647 -0.3620 5.0841 5.0844 5.4453 5.4456 7.1745 7.1747 8.1152 8.1155 8.6521 8.6525 k = 0.0441 0.6134-0.0125 ( 5962 PWs) bands (ev): -20.8620 -20.8620 -20.8567 -20.8567 -20.2051 -20.2051 -20.1548 -20.1547 -18.4597 -18.4597 -18.3966 -18.3966 -9.5126 -9.5124 -9.4441 -9.4436 -9.2206 -9.2201 -9.1169 -9.1164 -9.0239 -9.0234 -8.9656 -8.9653 -8.6836 -8.6832 -8.6727 -8.6724 -5.6883 -5.6879 -5.6466 -5.6461 -4.9856 -4.9854 -4.7630 -4.7623 -4.6736 -4.6727 -4.6461 -4.6447 -1.2203 -1.2200 -1.1352 -1.1350 -0.6259 -0.6255 -0.5234 -0.5210 -0.5136 -0.5123 -0.3661 -0.3641 5.0883 5.0886 5.4493 5.4495 7.1620 7.1622 8.1090 8.1092 8.6543 8.6546 k = 0.0294 0.6134-0.0125 ( 5962 PWs) bands (ev): -20.8622 -20.8622 -20.8568 -20.8568 -20.2055 -20.2055 -20.1549 -20.1549 -18.4595 -18.4595 -18.3961 -18.3961 -9.5110 -9.5109 -9.4442 -9.4439 -9.2195 -9.2192 -9.1152 -9.1149 -9.0227 -9.0224 -8.9647 -8.9645 -8.6834 -8.6832 -8.6735 -8.6733 -5.6892 -5.6889 -5.6478 -5.6474 -4.9885 -4.9883 -4.7634 -4.7629 -4.6731 -4.6725 -4.6468 -4.6459 -1.2211 -1.2209 -1.1361 -1.1359 -0.6277 -0.6273 -0.5233 -0.5216 -0.5142 -0.5132 -0.3671 -0.3657 5.0914 5.0916 5.4522 5.4524 7.1530 7.1531 8.1045 8.1047 8.6559 8.6561 k = 0.0147 0.6134-0.0125 ( 5964 PWs) bands (ev): -20.8623 -20.8623 -20.8569 -20.8569 -20.2057 -20.2057 -20.1549 -20.1549 -18.4594 -18.4593 -18.3957 -18.3957 -9.5100 -9.5100 -9.4443 -9.4442 -9.2188 -9.2186 -9.1142 -9.1140 -9.0220 -9.0218 -8.9641 -8.9640 -8.6833 -8.6831 -8.6739 -8.6738 -5.6896 -5.6895 -5.6484 -5.6482 -4.9902 -4.9901 -4.7636 -4.7634 -4.6728 -4.6724 -4.6472 -4.6467 -1.2215 -1.2214 -1.1366 -1.1365 -0.6287 -0.6285 -0.5230 -0.5222 -0.5144 -0.5139 -0.3675 -0.3668 5.0933 5.0934 5.4540 5.4541 7.1476 7.1477 8.1018 8.1019 8.6569 8.6570 k = 0.0000 0.6134-0.0125 ( 5962 PWs) bands (ev): -20.8623 -20.8623 -20.8569 -20.8569 -20.2058 -20.2058 -20.1550 -20.1550 -18.4593 -18.4593 -18.3956 -18.3956 -9.5097 -9.5097 -9.4443 -9.4443 -9.2185 -9.2185 -9.1137 -9.1137 -9.0217 -9.0217 -8.9639 -8.9639 -8.6832 -8.6832 -8.6741 -8.6741 -5.6897 -5.6897 -5.6486 -5.6486 -4.9907 -4.9907 -4.7636 -4.7636 -4.6725 -4.6725 -4.6471 -4.6471 -1.2217 -1.2217 -1.1368 -1.1368 -0.6290 -0.6290 -0.5226 -0.5226 -0.5143 -0.5143 -0.3674 -0.3674 5.0940 5.0940 5.4546 5.4546 7.1458 7.1458 8.1009 8.1009 8.6573 8.6573 k = 0.0000 0.6134-0.0125 ( 5962 PWs) bands (ev): -20.8623 -20.8623 -20.8569 -20.8569 -20.2058 -20.2058 -20.1550 -20.1550 -18.4593 -18.4593 -18.3956 -18.3956 -9.5097 -9.5097 -9.4443 -9.4443 -9.2185 -9.2185 -9.1137 -9.1137 -9.0217 -9.0217 -8.9639 -8.9639 -8.6832 -8.6832 -8.6741 -8.6741 -5.6897 -5.6897 -5.6486 -5.6486 -4.9907 -4.9907 -4.7636 -4.7636 -4.6725 -4.6725 -4.6471 -4.6471 -1.2217 -1.2217 -1.1368 -1.1368 -0.6290 -0.6290 -0.5226 -0.5226 -0.5143 -0.5143 -0.3674 -0.3674 5.0940 5.0940 5.4546 5.4546 7.1458 7.1458 8.1009 8.1009 8.6573 8.6573 k = 0.0000 0.6137 0.0018 ( 5962 PWs) bands (ev): -20.8623 -20.8623 -20.8569 -20.8569 -20.2057 -20.2057 -20.1551 -20.1551 -18.4592 -18.4592 -18.3957 -18.3957 -9.5096 -9.5094 -9.4444 -9.4443 -9.2184 -9.2183 -9.1140 -9.1139 -9.0216 -9.0216 -8.9641 -8.9640 -8.6831 -8.6830 -8.6741 -8.6740 -5.6897 -5.6897 -5.6487 -5.6487 -4.9902 -4.9902 -4.7642 -4.7639 -4.6726 -4.6723 -4.6472 -4.6471 -1.2215 -1.2215 -1.1369 -1.1369 -0.6286 -0.6284 -0.5227 -0.5226 -0.5144 -0.5143 -0.3679 -0.3679 5.0946 5.0947 5.4537 5.4538 7.1475 7.1476 8.0993 8.0994 8.6570 8.6571 k = 0.0000 0.6140 0.0162 ( 5962 PWs) bands (ev): -20.8623 -20.8623 -20.8570 -20.8570 -20.2054 -20.2054 -20.1553 -20.1553 -18.4588 -18.4588 -18.3961 -18.3961 -9.5091 -9.5088 -9.4448 -9.4446 -9.2181 -9.2177 -9.1148 -9.1146 -9.0214 -9.0214 -8.9647 -8.9645 -8.6829 -8.6827 -8.6740 -8.6739 -5.6896 -5.6895 -5.6490 -5.6490 -4.9888 -4.9887 -4.7656 -4.7650 -4.6726 -4.6719 -4.6475 -4.6473 -1.2210 -1.2209 -1.1374 -1.1373 -0.6273 -0.6270 -0.5227 -0.5225 -0.5147 -0.5144 -0.3694 -0.3693 5.0964 5.0965 5.4512 5.4514 7.1526 7.1528 8.0944 8.0946 8.6563 8.6565 k = 0.0000 0.6143 0.0306 ( 5957 PWs) bands (ev): -20.8622 -20.8622 -20.8570 -20.8570 -20.2050 -20.2050 -20.1558 -20.1558 -18.4582 -18.4582 -18.3967 -18.3967 -9.5083 -9.5079 -9.4453 -9.4450 -9.2175 -9.2170 -9.1161 -9.1158 -9.0211 -9.0210 -8.9657 -8.9653 -8.6826 -8.6823 -8.6739 -8.6737 -5.6893 -5.6892 -5.6496 -5.6495 -4.9863 -4.9862 -4.7678 -4.7669 -4.6724 -4.6714 -4.6478 -4.6476 -1.2202 -1.2200 -1.1382 -1.1380 -0.6252 -0.6247 -0.5226 -0.5224 -0.5151 -0.5146 -0.3719 -0.3716 5.0993 5.0996 5.4470 5.4472 7.1611 7.1614 8.0862 8.0865 8.6551 8.6554 k = 0.0000 0.6146 0.0449 ( 5964 PWs) bands (ev): -20.8621 -20.8621 -20.8571 -20.8571 -20.2044 -20.2044 -20.1565 -20.1565 -18.4573 -18.4573 -18.3975 -18.3975 -9.5072 -9.5066 -9.4460 -9.4456 -9.2166 -9.2159 -9.1178 -9.1174 -9.0206 -9.0205 -8.9670 -8.9665 -8.6821 -8.6817 -8.6738 -8.6735 -5.6889 -5.6888 -5.6503 -5.6503 -4.9830 -4.9827 -4.7708 -4.7697 -4.6721 -4.6708 -4.6483 -4.6480 -1.2190 -1.2188 -1.1393 -1.1391 -0.6222 -0.6216 -0.5225 -0.5223 -0.5157 -0.5150 -0.3752 -0.3749 5.1035 5.1038 5.4412 5.4415 7.1730 7.1734 8.0746 8.0750 8.6535 8.6539 k = 0.0000 0.6149 0.0593 ( 5958 PWs) bands (ev): -20.8620 -20.8620 -20.8573 -20.8573 -20.2036 -20.2036 -20.1573 -20.1573 -18.4563 -18.4563 -18.3985 -18.3985 -9.5057 -9.5050 -9.4469 -9.4464 -9.2153 -9.2145 -9.1200 -9.1195 -9.0200 -9.0198 -8.9685 -8.9679 -8.6814 -8.6809 -8.6736 -8.6733 -5.6884 -5.6883 -5.6513 -5.6512 -4.9787 -4.9784 -4.7746 -4.7732 -4.6716 -4.6702 -4.6489 -4.6485 -1.2175 -1.2172 -1.1407 -1.1404 -0.6184 -0.6176 -0.5224 -0.5223 -0.5163 -0.5154 -0.3795 -0.3790 5.1088 5.1092 5.4339 5.4344 7.1881 7.1886 8.0596 8.0601 8.6516 8.6520 k = 0.0000 0.6152 0.0737 ( 5957 PWs) bands (ev): -20.8619 -20.8619 -20.8574 -20.8574 -20.2026 -20.2026 -20.1583 -20.1583 -18.4550 -18.4550 -18.3997 -18.3997 -9.5039 -9.5031 -9.4480 -9.4473 -9.2138 -9.2129 -9.1226 -9.1220 -9.0193 -9.0191 -8.9703 -8.9696 -8.6807 -8.6801 -8.6734 -8.6730 -5.6878 -5.6877 -5.6524 -5.6523 -4.9735 -4.9731 -4.7790 -4.7775 -4.6711 -4.6694 -4.6497 -4.6491 -1.2157 -1.2153 -1.1424 -1.1420 -0.6138 -0.6128 -0.5222 -0.5222 -0.5171 -0.5158 -0.3846 -0.3840 5.1153 5.1157 5.4252 5.4257 7.2063 7.2069 8.0410 8.0416 8.6492 8.6498 k = 0.0000 0.6155 0.0881 ( 5960 PWs) bands (ev): -20.8617 -20.8617 -20.8576 -20.8576 -20.2015 -20.2015 -20.1595 -20.1595 -18.4534 -18.4534 -18.4012 -18.4012 -9.5019 -9.5010 -9.4492 -9.4485 -9.2120 -9.2109 -9.1256 -9.1249 -9.0184 -9.0181 -8.9724 -8.9716 -8.6799 -8.6792 -8.6732 -8.6727 -5.6871 -5.6869 -5.6538 -5.6537 -4.9675 -4.9671 -4.7841 -4.7824 -4.6705 -4.6687 -4.6505 -4.6498 -1.2135 -1.2131 -1.1443 -1.1439 -0.6085 -0.6073 -0.5222 -0.5220 -0.5179 -0.5161 -0.3905 -0.3899 5.1228 5.1233 5.4152 5.4158 7.2276 7.2283 8.0189 8.0196 8.6466 8.6472 k = 0.0000 0.6157 0.1024 ( 5968 PWs) bands (ev): -20.8615 -20.8615 -20.8578 -20.8578 -20.2003 -20.2003 -20.1609 -20.1608 -18.4517 -18.4517 -18.4028 -18.4028 -9.4996 -9.4986 -9.4507 -9.4498 -9.2099 -9.2087 -9.1291 -9.1283 -9.0174 -9.0171 -8.9746 -8.9738 -8.6791 -8.6783 -8.6730 -8.6725 -5.6862 -5.6861 -5.6553 -5.6551 -4.9608 -4.9604 -4.7898 -4.7880 -4.6699 -4.6680 -4.6514 -4.6506 -1.2111 -1.2107 -1.1465 -1.1460 -0.6025 -0.6012 -0.5224 -0.5217 -0.5186 -0.5163 -0.3972 -0.3964 5.1314 5.1320 5.4040 5.4047 7.2518 7.2525 7.9932 7.9940 8.6436 8.6444 k = 0.0000 0.6160 0.1168 ( 5971 PWs) bands (ev): -20.8613 -20.8613 -20.8580 -20.8580 -20.1988 -20.1988 -20.1623 -20.1623 -18.4498 -18.4498 -18.4047 -18.4047 -9.4971 -9.4960 -9.4523 -9.4514 -9.2075 -9.2062 -9.1329 -9.1319 -9.0163 -9.0159 -8.9770 -8.9761 -8.6782 -8.6774 -8.6728 -8.6722 -5.6852 -5.6850 -5.6569 -5.6568 -4.9535 -4.9529 -4.7961 -4.7942 -4.6692 -4.6672 -4.6524 -4.6515 -1.2085 -1.2080 -1.1490 -1.1484 -0.5960 -0.5944 -0.5229 -0.5218 -0.5191 -0.5160 -0.4045 -0.4036 5.1410 5.1416 5.3918 5.3926 7.2787 7.2795 7.9641 7.9650 8.6405 8.6413 k = 0.0000 0.6163 0.1312 ( 5967 PWs) bands (ev): -20.8611 -20.8611 -20.8582 -20.8582 -20.1973 -20.1973 -20.1639 -20.1639 -18.4478 -18.4478 -18.4067 -18.4067 -9.4944 -9.4932 -9.4541 -9.4531 -9.2048 -9.2034 -9.1369 -9.1359 -9.0150 -9.0146 -8.9794 -8.9785 -8.6773 -8.6764 -8.6726 -8.6719 -5.6841 -5.6839 -5.6587 -5.6585 -4.9455 -4.9449 -4.8029 -4.8010 -4.6685 -4.6664 -4.6534 -4.6524 -1.2056 -1.2050 -1.1517 -1.1510 -0.5890 -0.5872 -0.5237 -0.5224 -0.5187 -0.5153 -0.4125 -0.4115 5.1516 5.1522 5.3787 5.3795 7.3082 7.3091 7.9318 7.9328 8.6373 8.6382 k = 0.0000 0.6166 0.1455 ( 5973 PWs) bands (ev): -20.8609 -20.8609 -20.8584 -20.8584 -20.1956 -20.1956 -20.1657 -20.1657 -18.4455 -18.4455 -18.4088 -18.4088 -9.4916 -9.4903 -9.4561 -9.4550 -9.2018 -9.2003 -9.1413 -9.1402 -9.0136 -9.0131 -8.9820 -8.9810 -8.6764 -8.6755 -8.6724 -8.6717 -5.6828 -5.6826 -5.6605 -5.6604 -4.9371 -4.9363 -4.8102 -4.8083 -4.6677 -4.6656 -4.6545 -4.6534 -1.2025 -1.2019 -1.1546 -1.1539 -0.5817 -0.5797 -0.5248 -0.5235 -0.5177 -0.5141 -0.4210 -0.4198 5.1630 5.1637 5.3648 5.3656 7.3401 7.3410 7.8967 7.8977 8.6340 8.6349 k = 0.0000 0.6169 0.1599 ( 5982 PWs) bands (ev): -20.8606 -20.8606 -20.8587 -20.8587 -20.1939 -20.1939 -20.1675 -20.1675 -18.4432 -18.4432 -18.4111 -18.4111 -9.4886 -9.4873 -9.4583 -9.4570 -9.1985 -9.1969 -9.1459 -9.1446 -9.0120 -9.0115 -8.9845 -8.9836 -8.6755 -8.6746 -8.6722 -8.6715 -5.6815 -5.6813 -5.6625 -5.6623 -4.9281 -4.9273 -4.8180 -4.8161 -4.6669 -4.6649 -4.6556 -4.6545 -1.1992 -1.1986 -1.1577 -1.1570 -0.5743 -0.5720 -0.5261 -0.5248 -0.5161 -0.5124 -0.4300 -0.4285 5.1752 5.1760 5.3503 5.3511 7.3742 7.3752 7.8592 7.8602 8.6308 8.6318 k = 0.0000 0.6172 0.1743 ( 5977 PWs) bands (ev): -20.8604 -20.8604 -20.8590 -20.8590 -20.1920 -20.1920 -20.1695 -20.1695 -18.4407 -18.4407 -18.4135 -18.4135 -9.4856 -9.4842 -9.4605 -9.4592 -9.1948 -9.1932 -9.1506 -9.1493 -9.0104 -9.0098 -8.9871 -8.9861 -8.6747 -8.6738 -8.6721 -8.6714 -5.6800 -5.6797 -5.6645 -5.6644 -4.9189 -4.9180 -4.8261 -4.8244 -4.6661 -4.6641 -4.6568 -4.6555 -1.1958 -1.1951 -1.1609 -1.1602 -0.5669 -0.5644 -0.5277 -0.5263 -0.5137 -0.5099 -0.4392 -0.4376 5.1882 5.1890 5.3352 5.3361 7.4103 7.4114 7.8196 7.8207 8.6278 8.6288 k = 0.0000 0.6175 0.1886 ( 5981 PWs) bands (ev): -20.8601 -20.8601 -20.8592 -20.8592 -20.1900 -20.1900 -20.1715 -20.1715 -18.4381 -18.4381 -18.4161 -18.4161 -9.4825 -9.4811 -9.4630 -9.4616 -9.1910 -9.1893 -9.1555 -9.1540 -9.0086 -9.0080 -8.9896 -8.9887 -8.6740 -8.6731 -8.6721 -8.6713 -5.6783 -5.6781 -5.6666 -5.6664 -4.9094 -4.9084 -4.8347 -4.8330 -4.6653 -4.6633 -4.6579 -4.6566 -1.1922 -1.1915 -1.1643 -1.1636 -0.5599 -0.5571 -0.5295 -0.5281 -0.5105 -0.5066 -0.4487 -0.4468 5.2019 5.2027 5.3198 5.3207 7.4482 7.4493 7.7784 7.7795 8.6251 8.6262 k = 0.0000 0.6178 0.2030 ( 5979 PWs) bands (ev): -20.8598 -20.8598 -20.8595 -20.8595 -20.1880 -20.1880 -20.1735 -20.1735 -18.4355 -18.4355 -18.4187 -18.4187 -9.4794 -9.4780 -9.4656 -9.4642 -9.1868 -9.1851 -9.1604 -9.1588 -9.0067 -9.0060 -8.9921 -8.9912 -8.6734 -8.6724 -8.6721 -8.6713 -5.6766 -5.6764 -5.6687 -5.6685 -4.8997 -4.8986 -4.8436 -4.8420 -4.6644 -4.6624 -4.6591 -4.6576 -1.1886 -1.1878 -1.1678 -1.1671 -0.5535 -0.5506 -0.5315 -0.5300 -0.5062 -0.5022 -0.4583 -0.4561 5.2162 5.2170 5.3042 5.3051 7.4877 7.4888 7.7361 7.7373 8.6229 8.6240 k = 0.0000 0.6181 0.2174 ( 5987 PWs) bands (ev): -20.8598 -20.8598 -20.8596 -20.8596 -20.1859 -20.1859 -20.1757 -20.1757 -18.4328 -18.4328 -18.4214 -18.4214 -9.4763 -9.4749 -9.4683 -9.4668 -9.1825 -9.1808 -9.1653 -9.1637 -9.0047 -9.0040 -8.9946 -8.9937 -8.6729 -8.6723 -8.6719 -8.6714 -5.6748 -5.6746 -5.6708 -5.6706 -4.8898 -4.8887 -4.8528 -4.8512 -4.6634 -4.6616 -4.6602 -4.6587 -1.1849 -1.1841 -1.1714 -1.1707 -0.5479 -0.5451 -0.5340 -0.5322 -0.5005 -0.4967 -0.4677 -0.4652 5.2309 5.2318 5.2884 5.2894 7.5284 7.5296 7.6932 7.6944 8.6212 8.6223 k = 0.0000 0.6184 0.2317 ( 5991 PWs) bands (ev): -20.8601 -20.8601 -20.8593 -20.8593 -20.1837 -20.1837 -20.1778 -20.1778 -18.4300 -18.4300 -18.4241 -18.4241 -9.4733 -9.4718 -9.4711 -9.4696 -9.1779 -9.1763 -9.1702 -9.1685 -9.0025 -9.0018 -8.9969 -8.9961 -8.6725 -8.6724 -8.6716 -8.6714 -5.6730 -5.6729 -5.6727 -5.6727 -4.8800 -4.8787 -4.8622 -4.8607 -4.6625 -4.6613 -4.6607 -4.6597 -1.1811 -1.1803 -1.1751 -1.1744 -0.5431 -0.5406 -0.5369 -0.5348 -0.4935 -0.4900 -0.4768 -0.4739 5.2461 5.2470 5.2727 5.2736 7.5702 7.5714 7.6500 7.6511 8.6204 8.6215 k = 0.5000 0.6084 0.2568 ( 5972 PWs) bands (ev): -20.8447 -20.8447 -20.8445 -20.8445 -20.1573 -20.1573 -20.1573 -20.1573 -18.4652 -18.4652 -18.4648 -18.4648 -9.5418 -9.5404 -9.5330 -9.5316 -9.3087 -9.3065 -9.2960 -9.2940 -9.0623 -9.0618 -9.0570 -9.0564 -8.6653 -8.6638 -8.6624 -8.6610 -5.5447 -5.5444 -5.5385 -5.5382 -4.7657 -4.7629 -4.7624 -4.7594 -4.6233 -4.6204 -4.6200 -4.6173 -1.1097 -1.1079 -1.1061 -1.1043 -0.4497 -0.4454 -0.4450 -0.4406 -0.3562 -0.3541 -0.3504 -0.3483 5.0358 5.0363 5.0602 5.0608 8.2802 8.2809 8.3004 8.3010 8.7077 8.7083 k = 0.5000 0.5936 0.2568 ( 5972 PWs) bands (ev): -20.8447 -20.8447 -20.8447 -20.8447 -20.1575 -20.1575 -20.1574 -20.1574 -18.4653 -18.4653 -18.4646 -18.4646 -9.5429 -9.5414 -9.5318 -9.5304 -9.3110 -9.3089 -9.2933 -9.2913 -9.0622 -9.0619 -9.0564 -9.0556 -8.6652 -8.6635 -8.6623 -8.6611 -5.5495 -5.5491 -5.5340 -5.5337 -4.7634 -4.7629 -4.7607 -4.7597 -4.6224 -4.6207 -4.6192 -4.6182 -1.1078 -1.1075 -1.1059 -1.1057 -0.4521 -0.4474 -0.4428 -0.4379 -0.3559 -0.3539 -0.3515 -0.3493 5.0389 5.0395 5.0593 5.0599 8.2780 8.2789 8.2827 8.2831 8.7061 8.7066 k = 0.5000 0.5787 0.2568 ( 5974 PWs) bands (ev): -20.8451 -20.8451 -20.8450 -20.8450 -20.1578 -20.1578 -20.1576 -20.1576 -18.4655 -18.4655 -18.4644 -18.4644 -9.5440 -9.5425 -9.5305 -9.5292 -9.3131 -9.3109 -9.2902 -9.2883 -9.0618 -9.0617 -9.0555 -9.0545 -8.6649 -8.6630 -8.6621 -8.6610 -5.5541 -5.5538 -5.5295 -5.5292 -4.7624 -4.7599 -4.7590 -4.7574 -4.6216 -4.6211 -4.6191 -4.6179 -1.1091 -1.1071 -1.1049 -1.1033 -0.4547 -0.4501 -0.4402 -0.4353 -0.3560 -0.3541 -0.3525 -0.3503 5.0434 5.0440 5.0597 5.0603 8.2559 8.2562 8.2652 8.2661 8.7080 8.7086 k = 0.5000 0.5639 0.2568 ( 5976 PWs) bands (ev): -20.8456 -20.8456 -20.8455 -20.8455 -20.1582 -20.1582 -20.1580 -20.1579 -18.4656 -18.4656 -18.4641 -18.4641 -9.5452 -9.5436 -9.5293 -9.5280 -9.3148 -9.3126 -9.2869 -9.2851 -9.0610 -9.0610 -9.0542 -9.0530 -8.6645 -8.6625 -8.6617 -8.6608 -5.5588 -5.5584 -5.5251 -5.5249 -4.7608 -4.7572 -4.7554 -4.7530 -4.6221 -4.6199 -4.6198 -4.6164 -1.1100 -1.1079 -1.1021 -1.1005 -0.4575 -0.4530 -0.4378 -0.4329 -0.3566 -0.3547 -0.3532 -0.3511 5.0492 5.0498 5.0615 5.0620 8.2221 8.2223 8.2428 8.2438 8.7115 8.7122 k = 0.5000 0.5491 0.2568 ( 5978 PWs) bands (ev): -20.8463 -20.8463 -20.8461 -20.8461 -20.1588 -20.1588 -20.1584 -20.1584 -18.4657 -18.4657 -18.4638 -18.4638 -9.5464 -9.5448 -9.5281 -9.5269 -9.3161 -9.3139 -9.2832 -9.2814 -9.0600 -9.0599 -9.0525 -9.0512 -8.6641 -8.6619 -8.6612 -8.6604 -5.5633 -5.5629 -5.5209 -5.5207 -4.7583 -4.7545 -4.7498 -4.7475 -4.6226 -4.6204 -4.6185 -4.6148 -1.1107 -1.1085 -1.0989 -1.0974 -0.4606 -0.4561 -0.4355 -0.4307 -0.3579 -0.3558 -0.3534 -0.3515 5.0562 5.0569 5.0645 5.0650 8.1829 8.1830 8.2127 8.2137 8.7138 8.7146 k = 0.5000 0.5342 0.2568 ( 5978 PWs) bands (ev): -20.8471 -20.8471 -20.8468 -20.8468 -20.1595 -20.1595 -20.1591 -20.1591 -18.4657 -18.4657 -18.4635 -18.4635 -9.5476 -9.5460 -9.5270 -9.5258 -9.3170 -9.3148 -9.2791 -9.2774 -9.0587 -9.0583 -9.0506 -9.0490 -8.6635 -8.6613 -8.6606 -8.6599 -5.5677 -5.5673 -5.5168 -5.5166 -4.7548 -4.7508 -4.7432 -4.7410 -4.6231 -4.6210 -4.6168 -4.6129 -1.1110 -1.1087 -1.0955 -1.0940 -0.4639 -0.4595 -0.4335 -0.4288 -0.3595 -0.3574 -0.3533 -0.3517 5.0645 5.0652 5.0689 5.0694 8.1397 8.1397 8.1766 8.1776 8.7121 8.7130 k = 0.5000 0.5194 0.2568 ( 5980 PWs) bands (ev): -20.8481 -20.8481 -20.8477 -20.8477 -20.1603 -20.1603 -20.1598 -20.1598 -18.4657 -18.4657 -18.4632 -18.4632 -9.5490 -9.5474 -9.5260 -9.5249 -9.3175 -9.3153 -9.2746 -9.2731 -9.0569 -9.0565 -9.0482 -9.0465 -8.6629 -8.6607 -8.6598 -8.6592 -5.5720 -5.5716 -5.5129 -5.5127 -4.7505 -4.7463 -4.7355 -4.7334 -4.6235 -4.6215 -4.6149 -4.6107 -1.1110 -1.1086 -1.0917 -1.0904 -0.4674 -0.4631 -0.4318 -0.4272 -0.3613 -0.3592 -0.3531 -0.3517 5.0739 5.0746 5.0747 5.0751 8.0933 8.0934 8.1359 8.1368 8.7041 8.7051 k = 0.5000 0.5045 0.2568 ( 5976 PWs) bands (ev): -20.8492 -20.8492 -20.8488 -20.8488 -20.1613 -20.1612 -20.1607 -20.1607 -18.4657 -18.4657 -18.4629 -18.4629 -9.5505 -9.5488 -9.5252 -9.5241 -9.3175 -9.3152 -9.2698 -9.2684 -9.0548 -9.0542 -9.0456 -9.0437 -8.6622 -8.6599 -8.6590 -8.6584 -5.5762 -5.5758 -5.5092 -5.5090 -4.7454 -4.7409 -4.7268 -4.7247 -4.6238 -4.6219 -4.6127 -4.6082 -1.1106 -1.1082 -1.0878 -1.0865 -0.4711 -0.4670 -0.4304 -0.4259 -0.3631 -0.3610 -0.3528 -0.3517 5.0815 5.0820 5.0846 5.0853 8.0447 8.0449 8.0916 8.0926 8.6882 8.6894 k = 0.5000 0.4897 0.2568 ( 5968 PWs) bands (ev): -20.8505 -20.8505 -20.8500 -20.8500 -20.1623 -20.1623 -20.1617 -20.1616 -18.4657 -18.4657 -18.4626 -18.4626 -9.5521 -9.5504 -9.5246 -9.5236 -9.3169 -9.3147 -9.2646 -9.2633 -9.0523 -9.0516 -9.0426 -9.0405 -8.6615 -8.6592 -8.6580 -8.6574 -5.5801 -5.5797 -5.5056 -5.5055 -4.7396 -4.7349 -4.7172 -4.7151 -4.6241 -4.6223 -4.6101 -4.6053 -1.1100 -1.1075 -1.0836 -1.0824 -0.4751 -0.4711 -0.4294 -0.4252 -0.3648 -0.3628 -0.3524 -0.3515 5.0898 5.0902 5.0962 5.0969 7.9945 7.9947 8.0447 8.0456 8.6640 8.6652 k = 0.5000 0.4749 0.2568 ( 5978 PWs) bands (ev): -20.8519 -20.8519 -20.8514 -20.8514 -20.1635 -20.1635 -20.1628 -20.1628 -18.4656 -18.4656 -18.4622 -18.4622 -9.5538 -9.5522 -9.5243 -9.5234 -9.3158 -9.3135 -9.2590 -9.2578 -9.0494 -9.0487 -9.0393 -9.0371 -8.6607 -8.6584 -8.6569 -8.6565 -5.5839 -5.5835 -5.5024 -5.5022 -4.7332 -4.7282 -4.7066 -4.7046 -4.6243 -4.6225 -4.6070 -4.6019 -1.1092 -1.1065 -1.0793 -1.0781 -0.4793 -0.4754 -0.4290 -0.4251 -0.3662 -0.3645 -0.3519 -0.3512 5.0992 5.0997 5.1089 5.1096 7.9431 7.9434 7.9956 7.9966 8.6319 8.6331 k = 0.5000 0.4600 0.2568 ( 5970 PWs) bands (ev): -20.8534 -20.8534 -20.8529 -20.8528 -20.1648 -20.1648 -20.1640 -20.1640 -18.4655 -18.4655 -18.4619 -18.4619 -9.5558 -9.5541 -9.5244 -9.5236 -9.3139 -9.3117 -9.2531 -9.2520 -9.0462 -9.0453 -9.0356 -9.0332 -8.6599 -8.6575 -8.6558 -8.6554 -5.5875 -5.5871 -5.4993 -5.4992 -4.7264 -4.7211 -4.6952 -4.6932 -4.6244 -4.6226 -4.6034 -4.5980 -1.1080 -1.1053 -1.0748 -1.0737 -0.4837 -0.4800 -0.4293 -0.4258 -0.3672 -0.3658 -0.3513 -0.3508 5.1099 5.1103 5.1226 5.1233 7.8909 7.8913 7.9450 7.9459 8.5928 8.5940 k = 0.5000 0.4452 0.2568 ( 5968 PWs) bands (ev): -20.8550 -20.8550 -20.8545 -20.8545 -20.1661 -20.1661 -20.1653 -20.1653 -18.4653 -18.4653 -18.4615 -18.4615 -9.5578 -9.5562 -9.5249 -9.5241 -9.3115 -9.3093 -9.2470 -9.2460 -9.0426 -9.0416 -9.0315 -9.0290 -8.6591 -8.6566 -8.6546 -8.6544 -5.5908 -5.5904 -5.4966 -5.4964 -4.7193 -4.7138 -4.6831 -4.6811 -4.6244 -4.6226 -4.5991 -4.5935 -1.1067 -1.1039 -1.0702 -1.0692 -0.4883 -0.4847 -0.4303 -0.4273 -0.3678 -0.3668 -0.3506 -0.3503 5.1217 5.1221 5.1371 5.1379 7.8383 7.8387 7.8931 7.8940 8.5480 8.5492 k = 0.5000 0.4303 0.2568 ( 5972 PWs) bands (ev): -20.8568 -20.8568 -20.8562 -20.8562 -20.1676 -20.1676 -20.1667 -20.1667 -18.4652 -18.4652 -18.4611 -18.4611 -9.5601 -9.5585 -9.5258 -9.5251 -9.3084 -9.3062 -9.2406 -9.2397 -9.0387 -9.0376 -9.0271 -9.0243 -8.6583 -8.6557 -8.6534 -8.6533 -5.5939 -5.5935 -5.4941 -5.4940 -4.7121 -4.7063 -4.6705 -4.6685 -4.6240 -4.6222 -4.5940 -4.5881 -1.1051 -1.1022 -1.0656 -1.0646 -0.4931 -0.4897 -0.4322 -0.4297 -0.3677 -0.3672 -0.3498 -0.3496 5.1346 5.1350 5.1525 5.1533 7.7854 7.7858 7.8402 7.8411 8.4988 8.5000 k = 0.5000 0.4155 0.2568 ( 5968 PWs) bands (ev): -20.8586 -20.8586 -20.8580 -20.8580 -20.1691 -20.1691 -20.1681 -20.1681 -18.4650 -18.4650 -18.4608 -18.4608 -9.5626 -9.5609 -9.5271 -9.5265 -9.3047 -9.3024 -9.2340 -9.2333 -9.0343 -9.0331 -9.0222 -9.0193 -8.6576 -8.6548 -8.6523 -8.6522 -5.5968 -5.5964 -5.4919 -5.4918 -4.7049 -4.6990 -4.6577 -4.6557 -4.6229 -4.6210 -4.5880 -4.5819 -1.1034 -1.1004 -1.0610 -1.0600 -0.4981 -0.4948 -0.4350 -0.4330 -0.3672 -0.3671 -0.3488 -0.3488 5.1486 5.1489 5.1686 5.1694 7.7326 7.7330 7.7867 7.7876 8.4464 8.4475 k = 0.5000 0.4007 0.2568 ( 5972 PWs) bands (ev): -20.8606 -20.8605 -20.8599 -20.8599 -20.1707 -20.1707 -20.1697 -20.1697 -18.4648 -18.4648 -18.4604 -18.4604 -9.5652 -9.5636 -9.5289 -9.5283 -9.3003 -9.2981 -9.2273 -9.2267 -9.0296 -9.0282 -9.0168 -9.0137 -8.6569 -8.6540 -8.6512 -8.6510 -5.5993 -5.5989 -5.4900 -5.4899 -4.6979 -4.6919 -4.6460 -4.6440 -4.6200 -4.6182 -4.5808 -4.5746 -1.1015 -1.0984 -1.0563 -1.0554 -0.5033 -0.5000 -0.4386 -0.4371 -0.3665 -0.3661 -0.3479 -0.3476 5.1635 5.1639 5.1854 5.1862 7.6799 7.6803 7.7326 7.7335 8.3917 8.3928 k = 0.5000 0.3858 0.2568 ( 5976 PWs) bands (ev): -20.8626 -20.8625 -20.8619 -20.8619 -20.1724 -20.1724 -20.1713 -20.1713 -18.4646 -18.4646 -18.4601 -18.4601 -9.5679 -9.5663 -9.5312 -9.5306 -9.2955 -9.2932 -9.2206 -9.2202 -9.0245 -9.0230 -9.0110 -9.0077 -8.6562 -8.6532 -8.6502 -8.6498 -5.6016 -5.6012 -5.4884 -5.4884 -4.6913 -4.6853 -4.6375 -4.6362 -4.6126 -4.6114 -4.5725 -4.5663 -1.0995 -1.0964 -1.0518 -1.0509 -0.5085 -0.5054 -0.4430 -0.4419 -0.3654 -0.3646 -0.3468 -0.3464 5.1794 5.1798 5.2028 5.2036 7.6275 7.6280 7.6783 7.6792 8.3356 8.3366 k = 0.5000 0.3710 0.2568 ( 5974 PWs) bands (ev): -20.8646 -20.8646 -20.8639 -20.8639 -20.1741 -20.1741 -20.1730 -20.1730 -18.4643 -18.4643 -18.4597 -18.4597 -9.5708 -9.5692 -9.5339 -9.5333 -9.2901 -9.2879 -9.2140 -9.2137 -9.0190 -9.0173 -9.0047 -9.0012 -8.6557 -8.6525 -8.6492 -8.6486 -5.6036 -5.6032 -5.4872 -5.4871 -4.6852 -4.6793 -4.6333 -4.6328 -4.6002 -4.5998 -4.5630 -4.5569 -1.0974 -1.0942 -1.0474 -1.0465 -0.5138 -0.5108 -0.4480 -0.4474 -0.3638 -0.3627 -0.3455 -0.3450 5.1962 5.1966 5.2207 5.2215 7.5757 7.5762 7.6239 7.6248 8.2787 8.2796 k = 0.5000 0.3561 0.2568 ( 5972 PWs) bands (ev): -20.8667 -20.8667 -20.8660 -20.8660 -20.1759 -20.1759 -20.1747 -20.1747 -18.4640 -18.4640 -18.4594 -18.4594 -9.5738 -9.5723 -9.5369 -9.5364 -9.2843 -9.2821 -9.2076 -9.2074 -9.0130 -9.0112 -8.9977 -8.9941 -8.6553 -8.6519 -8.6483 -8.6474 -5.6053 -5.6049 -5.4863 -5.4862 -4.6797 -4.6740 -4.6316 -4.6315 -4.5851 -4.5851 -4.5522 -4.5463 -1.0953 -1.0919 -1.0431 -1.0423 -0.5192 -0.5162 -0.4537 -0.4533 -0.3619 -0.3606 -0.3441 -0.3434 5.2138 5.2141 5.2390 5.2398 7.5245 7.5250 7.5696 7.5705 8.2216 8.2224 k = 0.5000 0.3413 0.2568 ( 5976 PWs) bands (ev): -20.8689 -20.8689 -20.8681 -20.8681 -20.1777 -20.1776 -20.1765 -20.1765 -18.4637 -18.4637 -18.4591 -18.4591 -9.5769 -9.5754 -9.5402 -9.5397 -9.2781 -9.2759 -9.2015 -9.2013 -9.0066 -9.0046 -8.9902 -8.9864 -8.6551 -8.6516 -8.6474 -8.6463 -5.6066 -5.6062 -5.4857 -5.4857 -4.6747 -4.6693 -4.6310 -4.6309 -4.5691 -4.5688 -4.5403 -4.5346 -1.0930 -1.0896 -1.0391 -1.0382 -0.5246 -0.5217 -0.4598 -0.4597 -0.3598 -0.3582 -0.3427 -0.3418 5.2321 5.2324 5.2577 5.2585 7.4741 7.4746 7.5156 7.5165 8.1647 8.1655 k = 0.5000 0.3265 0.2568 ( 5978 PWs) bands (ev): -20.8710 -20.8710 -20.8703 -20.8703 -20.1795 -20.1794 -20.1782 -20.1782 -18.4634 -18.4634 -18.4587 -18.4587 -9.5800 -9.5786 -9.5439 -9.5434 -9.2718 -9.2696 -9.1956 -9.1955 -8.9998 -8.9976 -8.9821 -8.9781 -8.6550 -8.6514 -8.6465 -8.6453 -5.6076 -5.6073 -5.4855 -5.4855 -4.6704 -4.6653 -4.6309 -4.6306 -4.5522 -4.5518 -4.5273 -4.5220 -1.0908 -1.0873 -1.0353 -1.0345 -0.5299 -0.5271 -0.4664 -0.4663 -0.3575 -0.3557 -0.3411 -0.3401 5.2510 5.2513 5.2766 5.2774 7.4246 7.4251 7.4620 7.4629 8.1084 8.1091 k = 0.5000 0.3116 0.2568 ( 5974 PWs) bands (ev): -20.8732 -20.8732 -20.8725 -20.8725 -20.1813 -20.1813 -20.1800 -20.1800 -18.4631 -18.4631 -18.4584 -18.4584 -9.5832 -9.5818 -9.5478 -9.5473 -9.2652 -9.2630 -9.1902 -9.1902 -8.9925 -8.9902 -8.9734 -8.9693 -8.6551 -8.6515 -8.6458 -8.6445 -5.6083 -5.6080 -5.4857 -5.4856 -4.6665 -4.6618 -4.6309 -4.6306 -4.5348 -4.5344 -4.5135 -4.5085 -1.0886 -1.0850 -1.0318 -1.0310 -0.5352 -0.5324 -0.4733 -0.4730 -0.3550 -0.3531 -0.3394 -0.3383 5.2704 5.2707 5.2957 5.2965 7.3761 7.3766 7.4090 7.4099 8.0530 8.0537 k = 0.5000 0.2968 0.2568 ( 5966 PWs) bands (ev): -20.8754 -20.8754 -20.8747 -20.8747 -20.1831 -20.1831 -20.1818 -20.1818 -18.4628 -18.4628 -18.4581 -18.4581 -9.5863 -9.5850 -9.5518 -9.5514 -9.2586 -9.2564 -9.1852 -9.1852 -8.9848 -8.9823 -8.9641 -8.9598 -8.6555 -8.6517 -8.6452 -8.6437 -5.6087 -5.6083 -5.4861 -5.4861 -4.6631 -4.6588 -4.6310 -4.6306 -4.5172 -4.5168 -4.4990 -4.4943 -1.0864 -1.0828 -1.0286 -1.0278 -0.5403 -0.5376 -0.4803 -0.4800 -0.3523 -0.3503 -0.3376 -0.3365 5.2903 5.2906 5.3149 5.3157 7.3287 7.3293 7.3569 7.3577 7.9988 7.9995 k = 0.5000 0.2819 0.2568 ( 5962 PWs) bands (ev): -20.8776 -20.8775 -20.8769 -20.8769 -20.1848 -20.1848 -20.1836 -20.1836 -18.4625 -18.4625 -18.4579 -18.4579 -9.5894 -9.5881 -9.5560 -9.5556 -9.2520 -9.2498 -9.1807 -9.1806 -8.9766 -8.9740 -8.9542 -8.9499 -8.6560 -8.6523 -8.6448 -8.6432 -5.6087 -5.6083 -5.4870 -5.4869 -4.6602 -4.6562 -4.6312 -4.6308 -4.4994 -4.4990 -4.4840 -4.4796 -1.0842 -1.0805 -1.0258 -1.0250 -0.5453 -0.5427 -0.4875 -0.4870 -0.3497 -0.3476 -0.3358 -0.3346 5.3105 5.3109 5.3340 5.3349 7.2826 7.2831 7.3057 7.3065 7.9461 7.9467 k = 0.5000 0.2671 0.2568 ( 5970 PWs) bands (ev): -20.8797 -20.8797 -20.8790 -20.8790 -20.1866 -20.1866 -20.1854 -20.1854 -18.4621 -18.4621 -18.4576 -18.4576 -9.5926 -9.5913 -9.5604 -9.5599 -9.2455 -9.2433 -9.1767 -9.1766 -8.9680 -8.9652 -8.9439 -8.9395 -8.6569 -8.6531 -8.6445 -8.6429 -5.6084 -5.6080 -5.4881 -5.4881 -4.6576 -4.6540 -4.6314 -4.6310 -4.4816 -4.4812 -4.4685 -4.4645 -1.0821 -1.0784 -1.0235 -1.0226 -0.5501 -0.5475 -0.4947 -0.4942 -0.3470 -0.3449 -0.3340 -0.3327 5.3310 5.3313 5.3531 5.3539 7.2377 7.2382 7.2557 7.2565 7.8950 7.8955 k = 0.5000 0.2523 0.2568 ( 5970 PWs) bands (ev): -20.8818 -20.8818 -20.8811 -20.8811 -20.1883 -20.1883 -20.1872 -20.1872 -18.4618 -18.4618 -18.4574 -18.4574 -9.5956 -9.5943 -9.5647 -9.5643 -9.2391 -9.2370 -9.1731 -9.1731 -8.9590 -8.9561 -8.9331 -8.9287 -8.6580 -8.6542 -8.6445 -8.6428 -5.6077 -5.6074 -5.4896 -5.4896 -4.6554 -4.6521 -4.6316 -4.6313 -4.4639 -4.4636 -4.4529 -4.4492 -1.0800 -1.0762 -1.0215 -1.0206 -0.5547 -0.5522 -0.5018 -0.5013 -0.3443 -0.3421 -0.3322 -0.3308 5.3515 5.3518 5.3720 5.3728 7.1942 7.1947 7.2071 7.2079 7.8457 7.8462 k = 0.5000 0.2374 0.2568 ( 5964 PWs) bands (ev): -20.8839 -20.8839 -20.8832 -20.8832 -20.1900 -20.1900 -20.1889 -20.1889 -18.4615 -18.4615 -18.4572 -18.4572 -9.5985 -9.5973 -9.5691 -9.5687 -9.2329 -9.2308 -9.1701 -9.1701 -8.9495 -8.9466 -8.9219 -8.9175 -8.6593 -8.6555 -8.6448 -8.6429 -5.6067 -5.6063 -5.4915 -5.4914 -4.6534 -4.6504 -4.6319 -4.6316 -4.4464 -4.4462 -4.4373 -4.4338 -1.0780 -1.0742 -1.0200 -1.0191 -0.5591 -0.5566 -0.5089 -0.5083 -0.3416 -0.3394 -0.3303 -0.3289 5.3720 5.3724 5.3907 5.3915 7.1522 7.1526 7.1601 7.1608 7.7984 7.7989 k = 0.5000 0.2226 0.2568 ( 5968 PWs) bands (ev): -20.8859 -20.8858 -20.8852 -20.8852 -20.1917 -20.1917 -20.1906 -20.1906 -18.4611 -18.4611 -18.4570 -18.4570 -9.6014 -9.6002 -9.5735 -9.5730 -9.2270 -9.2249 -9.1676 -9.1675 -8.9397 -8.9367 -8.9105 -8.9061 -8.6610 -8.6572 -8.6453 -8.6434 -5.6053 -5.6050 -5.4936 -5.4936 -4.6516 -4.6489 -4.6321 -4.6319 -4.4293 -4.4291 -4.4217 -4.4185 -1.0760 -1.0722 -1.0190 -1.0180 -0.5632 -0.5607 -0.5157 -0.5152 -0.3390 -0.3368 -0.3285 -0.3270 5.3924 5.3927 5.4090 5.4098 7.1118 7.1120 7.1150 7.1154 7.7533 7.7537 k = 0.5000 0.2077 0.2568 ( 5964 PWs) bands (ev): -20.8878 -20.8878 -20.8872 -20.8872 -20.1933 -20.1932 -20.1922 -20.1922 -18.4608 -18.4608 -18.4568 -18.4568 -9.6041 -9.6029 -9.5777 -9.5773 -9.2213 -9.2192 -9.1655 -9.1653 -8.9296 -8.9265 -8.8990 -8.8946 -8.6629 -8.6591 -8.6461 -8.6441 -5.6036 -5.6033 -5.4961 -5.4961 -4.6500 -4.6475 -4.6324 -4.6322 -4.4126 -4.4125 -4.4064 -4.4034 -1.0741 -1.0703 -1.0185 -1.0174 -0.5669 -0.5645 -0.5224 -0.5219 -0.3364 -0.3342 -0.3267 -0.3252 5.4125 5.4128 5.4269 5.4276 7.0710 7.0720 7.0731 7.0738 7.7104 7.7108 k = 0.5000 0.1929 0.2568 ( 5974 PWs) bands (ev): -20.8896 -20.8896 -20.8891 -20.8891 -20.1948 -20.1948 -20.1937 -20.1937 -18.4604 -18.4604 -18.4567 -18.4567 -9.6066 -9.6055 -9.5819 -9.5815 -9.2159 -9.2139 -9.1638 -9.1636 -8.9193 -8.9162 -8.8874 -8.8831 -8.6651 -8.6613 -8.6472 -8.6452 -5.6016 -5.6014 -5.4989 -5.4988 -4.6486 -4.6463 -4.6327 -4.6325 -4.3965 -4.3964 -4.3914 -4.3886 -1.0723 -1.0684 -1.0184 -1.0172 -0.5704 -0.5680 -0.5289 -0.5284 -0.3339 -0.3317 -0.3250 -0.3234 5.4321 5.4324 5.4443 5.4450 7.0300 7.0308 7.0360 7.0366 7.6701 7.6704 k = 0.5000 0.1781 0.2568 ( 5966 PWs) bands (ev): -20.8914 -20.8914 -20.8908 -20.8908 -20.1962 -20.1962 -20.1952 -20.1952 -18.4601 -18.4601 -18.4565 -18.4565 -9.6089 -9.6079 -9.5860 -9.5855 -9.2107 -9.2088 -9.1626 -9.1623 -8.9088 -8.9056 -8.8759 -8.8717 -8.6676 -8.6638 -8.6486 -8.6466 -5.5993 -5.5990 -5.5019 -5.5019 -4.6474 -4.6453 -4.6330 -4.6329 -4.3810 -4.3810 -4.3770 -4.3744 -1.0704 -1.0666 -1.0187 -1.0174 -0.5735 -0.5712 -0.5350 -0.5346 -0.3315 -0.3293 -0.3233 -0.3217 5.4511 5.4515 5.4610 5.4618 6.9912 6.9919 7.0009 7.0013 7.6322 7.6326 k = 0.5000 0.1632 0.2568 ( 5966 PWs) bands (ev): -20.8930 -20.8930 -20.8925 -20.8925 -20.1975 -20.1975 -20.1966 -20.1966 -18.4598 -18.4598 -18.4564 -18.4564 -9.6111 -9.6100 -9.5899 -9.5894 -9.2059 -9.2040 -9.1617 -9.1613 -8.8981 -8.8950 -8.8645 -8.8605 -8.6702 -8.6666 -8.6504 -8.6483 -5.5967 -5.5964 -5.5052 -5.5052 -4.6462 -4.6443 -4.6334 -4.6332 -4.3664 -4.3664 -4.3632 -4.3608 -1.0686 -1.0648 -1.0195 -1.0181 -0.5763 -0.5740 -0.5408 -0.5406 -0.3292 -0.3271 -0.3218 -0.3201 5.4694 5.4698 5.4771 5.4779 6.9548 6.9555 6.9676 6.9681 7.5971 7.5974 k = 0.5000 0.1484 0.2568 ( 5964 PWs) bands (ev): -20.8945 -20.8945 -20.8941 -20.8941 -20.1988 -20.1987 -20.1979 -20.1979 -18.4594 -18.4594 -18.4564 -18.4564 -9.6130 -9.6120 -9.5937 -9.5932 -9.2013 -9.1995 -9.1611 -9.1607 -8.8875 -8.8844 -8.8536 -8.8497 -8.6731 -8.6695 -8.6525 -8.6504 -5.5938 -5.5935 -5.5088 -5.5087 -4.6452 -4.6435 -4.6337 -4.6336 -4.3527 -4.3526 -4.3501 -4.3479 -1.0668 -1.0631 -1.0207 -1.0192 -0.5787 -0.5765 -0.5463 -0.5461 -0.3271 -0.3249 -0.3203 -0.3186 5.4867 5.4871 5.4925 5.4931 6.9212 6.9218 6.9364 6.9368 7.5648 7.5651 k = 0.5000 0.1336 0.2568 ( 5964 PWs) bands (ev): -20.8959 -20.8959 -20.8955 -20.8955 -20.1999 -20.1999 -20.1991 -20.1991 -18.4591 -18.4591 -18.4563 -18.4563 -9.6147 -9.6137 -9.5972 -9.5967 -9.1971 -9.1953 -9.1609 -9.1604 -8.8768 -8.8738 -8.8430 -8.8393 -8.6761 -8.6726 -8.6550 -8.6529 -5.5906 -5.5904 -5.5126 -5.5125 -4.6442 -4.6427 -4.6340 -4.6340 -4.3399 -4.3397 -4.3380 -4.3359 -1.0650 -1.0613 -1.0222 -1.0206 -0.5807 -0.5785 -0.5514 -0.5514 -0.3250 -0.3229 -0.3190 -0.3173 5.5030 5.5034 5.5069 5.5075 6.8904 6.8910 6.9074 6.9077 7.5354 7.5357 k = 0.5000 0.1187 0.2568 ( 5960 PWs) bands (ev): -20.8972 -20.8972 -20.8968 -20.8968 -20.2009 -20.2009 -20.2002 -20.2002 -18.4588 -18.4588 -18.4563 -18.4563 -9.6161 -9.6152 -9.6005 -9.6000 -9.1931 -9.1914 -9.1610 -9.1604 -8.8663 -8.8634 -8.8331 -8.8297 -8.6790 -8.6758 -8.6578 -8.6557 -5.5872 -5.5869 -5.5166 -5.5165 -4.6433 -4.6419 -4.6344 -4.6344 -4.3282 -4.3280 -4.3267 -4.3248 -1.0631 -1.0594 -1.0241 -1.0224 -0.5823 -0.5803 -0.5563 -0.5562 -0.3232 -0.3211 -0.3178 -0.3161 5.5180 5.5185 5.5203 5.5209 6.8627 6.8632 6.8806 6.8809 7.5091 7.5093 k = 0.5000 0.1039 0.2568 ( 5956 PWs) bands (ev): -20.8983 -20.8983 -20.8980 -20.8980 -20.2018 -20.2018 -20.2012 -20.2012 -18.4585 -18.4585 -18.4563 -18.4563 -9.6173 -9.6164 -9.6036 -9.6031 -9.1894 -9.1878 -9.1613 -9.1607 -8.8561 -8.8532 -8.8240 -8.8209 -8.6819 -8.6789 -8.6609 -8.6588 -5.5835 -5.5833 -5.5208 -5.5207 -4.6425 -4.6412 -4.6348 -4.6347 -4.3177 -4.3173 -4.3166 -4.3148 -1.0612 -1.0576 -1.0263 -1.0244 -0.5836 -0.5816 -0.5608 -0.5606 -0.3214 -0.3194 -0.3168 -0.3150 5.5315 5.5321 5.5328 5.5332 6.8382 6.8387 6.8562 6.8565 7.4859 7.4861 k = 0.5000 0.0890 0.2568 ( 5958 PWs) bands (ev): -20.8993 -20.8993 -20.8991 -20.8991 -20.2026 -20.2026 -20.2021 -20.2021 -18.4583 -18.4582 -18.4563 -18.4563 -9.6183 -9.6174 -9.6065 -9.6059 -9.1859 -9.1844 -9.1619 -9.1612 -8.8462 -8.8434 -8.8160 -8.8132 -8.6845 -8.6818 -8.6642 -8.6622 -5.5796 -5.5794 -5.5251 -5.5250 -4.6417 -4.6406 -4.6352 -4.6351 -4.3084 -4.3080 -4.3076 -4.3059 -1.0591 -1.0556 -1.0286 -1.0266 -0.5844 -0.5826 -0.5649 -0.5646 -0.3199 -0.3178 -0.3159 -0.3141 5.5433 5.5440 5.5442 5.5444 6.8171 6.8174 6.8343 6.8346 7.4659 7.4661 k = 0.5000 0.0742 0.2568 ( 5952 PWs) bands (ev): -20.9002 -20.9002 -20.9000 -20.9000 -20.2033 -20.2033 -20.2029 -20.2029 -18.4580 -18.4580 -18.4564 -18.4564 -9.6189 -9.6180 -9.6090 -9.6084 -9.1827 -9.1813 -9.1627 -9.1619 -8.8368 -8.8342 -8.8092 -8.8069 -8.6866 -8.6843 -8.6678 -8.6659 -5.5755 -5.5753 -5.5296 -5.5295 -4.6410 -4.6400 -4.6356 -4.6355 -4.3004 -4.2999 -4.2998 -4.2983 -1.0570 -1.0536 -1.0312 -1.0290 -0.5849 -0.5831 -0.5686 -0.5682 -0.3185 -0.3165 -0.3152 -0.3134 5.5532 5.5539 5.5543 5.5547 6.7994 6.7997 6.8152 6.8153 7.4492 7.4494 k = 0.5000 0.0594 0.2568 ( 5950 PWs) bands (ev): -20.9009 -20.9009 -20.9007 -20.9007 -20.2039 -20.2039 -20.2035 -20.2035 -18.4577 -18.4577 -18.4564 -18.4564 -9.6192 -9.6184 -9.6113 -9.6107 -9.1798 -9.1784 -9.1638 -9.1629 -8.8279 -8.8255 -8.8039 -8.8021 -8.6880 -8.6862 -8.6715 -8.6697 -5.5712 -5.5711 -5.5342 -5.5341 -4.6404 -4.6395 -4.6361 -4.6359 -4.2938 -4.2934 -4.2932 -4.2920 -1.0548 -1.0515 -1.0338 -1.0315 -0.5850 -0.5834 -0.5720 -0.5714 -0.3173 -0.3153 -0.3146 -0.3128 5.5615 5.5622 5.5629 5.5632 6.7852 6.7854 6.7988 6.7989 7.4360 7.4361 k = 0.5000 0.0445 0.2568 ( 5948 PWs) bands (ev): -20.9014 -20.9014 -20.9013 -20.9013 -20.2043 -20.2043 -20.2040 -20.2040 -18.4575 -18.4575 -18.4565 -18.4565 -9.6193 -9.6185 -9.6134 -9.6127 -9.1770 -9.1757 -9.1651 -9.1641 -8.8199 -8.8177 -8.8003 -8.7992 -8.6886 -8.6873 -8.6752 -8.6736 -5.5668 -5.5667 -5.5388 -5.5387 -4.6397 -4.6390 -4.6365 -4.6363 -4.2886 -4.2883 -4.2879 -4.2870 -1.0525 -1.0492 -1.0366 -1.0341 -0.5847 -0.5832 -0.5750 -0.5742 -0.3163 -0.3143 -0.3143 -0.3125 5.5682 5.5688 5.5695 5.5699 6.7746 6.7748 6.7854 6.7855 7.4262 7.4263 k = 0.5000 0.0297 0.2568 ( 5944 PWs) bands (ev): -20.9018 -20.9018 -20.9017 -20.9017 -20.2046 -20.2046 -20.2044 -20.2044 -18.4573 -18.4573 -18.4566 -18.4566 -9.6191 -9.6183 -9.6151 -9.6144 -9.1745 -9.1733 -9.1665 -9.1656 -8.8127 -8.8109 -8.7987 -8.7982 -8.6881 -8.6874 -8.6788 -8.6774 -5.5623 -5.5621 -5.5435 -5.5434 -4.6391 -4.6385 -4.6370 -4.6367 -4.2848 -4.2846 -4.2840 -4.2835 -1.0500 -1.0469 -1.0393 -1.0367 -0.5841 -0.5826 -0.5775 -0.5767 -0.3155 -0.3141 -0.3135 -0.3123 5.5732 5.5738 5.5742 5.5746 6.7676 6.7678 6.7751 6.7752 7.4199 7.4200 k = 0.5000 0.0148 0.2568 ( 5944 PWs) bands (ev): -20.9020 -20.9020 -20.9020 -20.9020 -20.2047 -20.2047 -20.2047 -20.2047 -18.4571 -18.4571 -18.4568 -18.4568 -9.6185 -9.6178 -9.6165 -9.6159 -9.1722 -9.1710 -9.1682 -9.1672 -8.8067 -8.8054 -8.7993 -8.7991 -8.6865 -8.6865 -8.6820 -8.6810 -5.5577 -5.5575 -5.5482 -5.5481 -4.6386 -4.6380 -4.6375 -4.6371 -4.2825 -4.2825 -4.2817 -4.2814 -1.0475 -1.0445 -1.0421 -1.0394 -0.5830 -0.5817 -0.5798 -0.5787 -0.3149 -0.3142 -0.3129 -0.3123 5.5763 5.5769 5.5769 5.5774 6.7642 6.7643 6.7681 6.7681 7.4172 7.4173 k = 0.5000-0.0000 0.2568 ( 5944 PWs) bands (ev): -20.9021 -20.9021 -20.9021 -20.9021 -20.2048 -20.2048 -20.2048 -20.2048 -18.4569 -18.4569 -18.4569 -18.4569 -9.6177 -9.6177 -9.6170 -9.6170 -9.1701 -9.1701 -9.1690 -9.1690 -8.8022 -8.8022 -8.8014 -8.8014 -8.6846 -8.6846 -8.6841 -8.6841 -5.5530 -5.5530 -5.5529 -5.5529 -4.6380 -4.6380 -4.6375 -4.6375 -4.2818 -4.2818 -4.2808 -4.2808 -1.0448 -1.0448 -1.0419 -1.0419 -0.5816 -0.5816 -0.5804 -0.5804 -0.3144 -0.3144 -0.3125 -0.3125 5.5776 5.5776 5.5781 5.5781 6.7644 6.7644 6.7645 6.7645 7.4181 7.4181 k = 0.5000-0.0000 0.2568 ( 5944 PWs) bands (ev): -20.9021 -20.9021 -20.9021 -20.9021 -20.2048 -20.2048 -20.2048 -20.2048 -18.4569 -18.4569 -18.4569 -18.4569 -9.6177 -9.6177 -9.6170 -9.6170 -9.1701 -9.1701 -9.1690 -9.1690 -8.8022 -8.8022 -8.8014 -8.8014 -8.6846 -8.6846 -8.6841 -8.6841 -5.5530 -5.5530 -5.5529 -5.5529 -4.6380 -4.6380 -4.6375 -4.6375 -4.2818 -4.2818 -4.2808 -4.2808 -1.0448 -1.0448 -1.0419 -1.0419 -0.5816 -0.5816 -0.5804 -0.5804 -0.3144 -0.3144 -0.3125 -0.3125 5.5776 5.5776 5.5781 5.5781 6.7644 6.7644 6.7645 6.7645 7.4181 7.4181 k = 0.5000-0.0000 0.2425 ( 5938 PWs) bands (ev): -20.9032 -20.9032 -20.9010 -20.9010 -20.2054 -20.2054 -20.2041 -20.2041 -18.4581 -18.4581 -18.4558 -18.4558 -9.6232 -9.6225 -9.6119 -9.6112 -9.1713 -9.1702 -9.1692 -9.1680 -8.8031 -8.8023 -8.8011 -8.8003 -8.6850 -8.6845 -8.6842 -8.6837 -5.5619 -5.5618 -5.5440 -5.5438 -4.6389 -4.6384 -4.6373 -4.6368 -4.2824 -4.2814 -4.2812 -4.2802 -1.0459 -1.0436 -1.0431 -1.0406 -0.5828 -0.5816 -0.5811 -0.5799 -0.3180 -0.3160 -0.3101 -0.3084 5.5749 5.5754 5.5803 5.5809 6.7442 6.7444 6.7835 6.7835 7.4193 7.4193 k = 0.5000-0.0000 0.2283 ( 5938 PWs) bands (ev): -20.9043 -20.9043 -20.8999 -20.8998 -20.2061 -20.2061 -20.2034 -20.2034 -18.4592 -18.4592 -18.4546 -18.4546 -9.6285 -9.6279 -9.6060 -9.6053 -9.1728 -9.1717 -9.1686 -9.1674 -8.8039 -8.8031 -8.8000 -8.7992 -8.6854 -8.6850 -8.6838 -8.6833 -5.5706 -5.5705 -5.5349 -5.5348 -4.6398 -4.6393 -4.6366 -4.6361 -4.2830 -4.2821 -4.2806 -4.2796 -1.0468 -1.0441 -1.0422 -1.0392 -0.5847 -0.5836 -0.5815 -0.5802 -0.3209 -0.3189 -0.3052 -0.3036 5.5722 5.5727 5.5831 5.5837 6.7232 6.7234 6.8010 6.8011 7.4239 7.4239 k = 0.5000-0.0000 0.2140 ( 5938 PWs) bands (ev): -20.9054 -20.9054 -20.8988 -20.8988 -20.2068 -20.2067 -20.2028 -20.2028 -18.4603 -18.4603 -18.4535 -18.4535 -9.6336 -9.6329 -9.6000 -9.5993 -9.1745 -9.1735 -9.1683 -9.1671 -8.8045 -8.8037 -8.7988 -8.7981 -8.6859 -8.6854 -8.6834 -8.6830 -5.5791 -5.5790 -5.5259 -5.5257 -4.6408 -4.6403 -4.6360 -4.6355 -4.2837 -4.2828 -4.2801 -4.2791 -1.0476 -1.0450 -1.0406 -1.0376 -0.5873 -0.5863 -0.5826 -0.5813 -0.3231 -0.3210 -0.2997 -0.2982 5.5697 5.5701 5.5859 5.5865 6.7017 6.7019 6.8168 6.8170 7.4317 7.4318 k = 0.5000-0.0000 0.1997 ( 5948 PWs) bands (ev): -20.9065 -20.9065 -20.8977 -20.8977 -20.2074 -20.2074 -20.2021 -20.2021 -18.4614 -18.4614 -18.4524 -18.4524 -9.6384 -9.6378 -9.5939 -9.5932 -9.1764 -9.1754 -9.1683 -9.1672 -8.8051 -8.8043 -8.7976 -8.7968 -8.6863 -8.6858 -8.6831 -8.6826 -5.5873 -5.5872 -5.5169 -5.5168 -4.6418 -4.6413 -4.6355 -4.6350 -4.2844 -4.2835 -4.2796 -4.2787 -1.0482 -1.0457 -1.0389 -1.0360 -0.5905 -0.5895 -0.5843 -0.5830 -0.3247 -0.3226 -0.2938 -0.2924 5.5672 5.5676 5.5887 5.5892 6.6800 6.6803 6.8309 6.8310 7.4426 7.4428 k = 0.5000-0.0000 0.1855 ( 5944 PWs) bands (ev): -20.9075 -20.9075 -20.8966 -20.8966 -20.2080 -20.2080 -20.2015 -20.2015 -18.4625 -18.4625 -18.4514 -18.4514 -9.6429 -9.6423 -9.5878 -9.5871 -9.1785 -9.1775 -9.1686 -9.1675 -8.8055 -8.8047 -8.7963 -8.7956 -8.6867 -8.6862 -8.6827 -8.6823 -5.5952 -5.5951 -5.5082 -5.5081 -4.6429 -4.6424 -4.6351 -4.6346 -4.2851 -4.2843 -4.2792 -4.2783 -1.0487 -1.0463 -1.0371 -1.0342 -0.5942 -0.5933 -0.5866 -0.5853 -0.3257 -0.3236 -0.2876 -0.2863 5.5649 5.5653 5.5914 5.5919 6.6585 6.6588 6.8431 6.8433 7.4564 7.4566 k = 0.5000-0.0000 0.1712 ( 5948 PWs) bands (ev): -20.9085 -20.9085 -20.8957 -20.8956 -20.2086 -20.2086 -20.2009 -20.2009 -18.4635 -18.4635 -18.4504 -18.4504 -9.6471 -9.6465 -9.5817 -9.5810 -9.1806 -9.1797 -9.1692 -9.1682 -8.8058 -8.8050 -8.7950 -8.7943 -8.6871 -8.6866 -8.6824 -8.6820 -5.6027 -5.6026 -5.4997 -5.4996 -4.6440 -4.6435 -4.6347 -4.6343 -4.2858 -4.2850 -4.2788 -4.2780 -1.0490 -1.0468 -1.0352 -1.0323 -0.5983 -0.5974 -0.5894 -0.5881 -0.3261 -0.3241 -0.2811 -0.2800 5.5626 5.5630 5.5941 5.5946 6.6375 6.6379 6.8534 6.8537 7.4728 7.4730 k = 0.5000-0.0000 0.1569 ( 5954 PWs) bands (ev): -20.9095 -20.9095 -20.8947 -20.8947 -20.2092 -20.2092 -20.2003 -20.2003 -18.4645 -18.4645 -18.4494 -18.4494 -9.6509 -9.6504 -9.5757 -9.5751 -9.1829 -9.1820 -9.1701 -9.1691 -8.8059 -8.8053 -8.7937 -8.7930 -8.6875 -8.6870 -8.6821 -8.6817 -5.6097 -5.6096 -5.4915 -5.4914 -4.6450 -4.6446 -4.6345 -4.6341 -4.2865 -4.2858 -4.2785 -4.2777 -1.0493 -1.0472 -1.0331 -1.0304 -0.6026 -0.6017 -0.5926 -0.5913 -0.3261 -0.3241 -0.2746 -0.2736 5.5605 5.5609 5.5967 5.5972 6.6173 6.6177 6.8621 6.8624 7.4916 7.4918 k = 0.5000-0.0000 0.1427 ( 5948 PWs) bands (ev): -20.9103 -20.9103 -20.8938 -20.8938 -20.2097 -20.2097 -20.1998 -20.1998 -18.4655 -18.4655 -18.4485 -18.4485 -9.6544 -9.6539 -9.5699 -9.5693 -9.1851 -9.1843 -9.1712 -9.1702 -8.8060 -8.8054 -8.7924 -8.7918 -8.6878 -8.6874 -8.6818 -8.6814 -5.6163 -5.6162 -5.4837 -5.4836 -4.6461 -4.6457 -4.6343 -4.6339 -4.2872 -4.2865 -4.2782 -4.2775 -1.0494 -1.0475 -1.0311 -1.0285 -0.6070 -0.6062 -0.5960 -0.5948 -0.3258 -0.3239 -0.2682 -0.2673 5.5586 5.5589 5.5992 5.5996 6.5981 6.5985 6.8693 6.8695 7.5125 7.5128 k = 0.5000-0.0000 0.1284 ( 5948 PWs) bands (ev): -20.9112 -20.9112 -20.8930 -20.8930 -20.2102 -20.2102 -20.1993 -20.1993 -18.4663 -18.4663 -18.4477 -18.4477 -9.6576 -9.6572 -9.5643 -9.5637 -9.1872 -9.1865 -9.1724 -9.1715 -8.8060 -8.8054 -8.7912 -8.7906 -8.6881 -8.6878 -8.6816 -8.6812 -5.6223 -5.6222 -5.4764 -5.4763 -4.6471 -4.6467 -4.6342 -4.6339 -4.2878 -4.2872 -4.2780 -4.2773 -1.0494 -1.0477 -1.0290 -1.0266 -0.6114 -0.6106 -0.5995 -0.5983 -0.3252 -0.3234 -0.2620 -0.2612 5.5568 5.5571 5.6015 5.6019 6.5802 6.5805 6.8751 6.8753 7.5354 7.5357 k = 0.5000-0.0000 0.1141 ( 5946 PWs) bands (ev): -20.9119 -20.9119 -20.8922 -20.8922 -20.2106 -20.2106 -20.1988 -20.1988 -18.4671 -18.4671 -18.4470 -18.4470 -9.6605 -9.6601 -9.5590 -9.5585 -9.1893 -9.1887 -9.1738 -9.1730 -8.8059 -8.8054 -8.7900 -8.7895 -8.6884 -8.6881 -8.6813 -8.6810 -5.6278 -5.6277 -5.4697 -5.4696 -4.6480 -4.6477 -4.6342 -4.6339 -4.2884 -4.2878 -4.2778 -4.2771 -1.0494 -1.0478 -1.0270 -1.0247 -0.6156 -0.6149 -0.6031 -0.6019 -0.3244 -0.3228 -0.2560 -0.2554 5.5552 5.5554 5.6036 5.6040 6.5637 6.5640 6.8797 6.8799 7.5598 7.5602 k = 0.5000-0.0000 0.0999 ( 5946 PWs) bands (ev): -20.9126 -20.9126 -20.8915 -20.8915 -20.2110 -20.2110 -20.1984 -20.1984 -18.4678 -18.4678 -18.4463 -18.4463 -9.6630 -9.6626 -9.5541 -9.5536 -9.1913 -9.1907 -9.1752 -9.1745 -8.8058 -8.8053 -8.7889 -8.7884 -8.6887 -8.6885 -8.6811 -8.6808 -5.6327 -5.6326 -5.4635 -5.4635 -4.6489 -4.6486 -4.6342 -4.6339 -4.2890 -4.2884 -4.2776 -4.2770 -1.0493 -1.0479 -1.0250 -1.0230 -0.6196 -0.6190 -0.6065 -0.6054 -0.3235 -0.3221 -0.2505 -0.2499 5.5537 5.5539 5.6056 5.6059 6.5487 6.5491 6.8834 6.8836 7.5854 7.5858 k = 0.5000-0.0000 0.0856 ( 5932 PWs) bands (ev): -20.9132 -20.9132 -20.8909 -20.8909 -20.2114 -20.2114 -20.1980 -20.1980 -18.4685 -18.4684 -18.4457 -18.4457 -9.6652 -9.6648 -9.5496 -9.5492 -9.1930 -9.1925 -9.1766 -9.1759 -8.8056 -8.8051 -8.7879 -8.7875 -8.6890 -8.6887 -8.6808 -8.6806 -5.6370 -5.6369 -5.4581 -5.4580 -4.6497 -4.6495 -4.6342 -4.6339 -4.2895 -4.2890 -4.2774 -4.2769 -1.0492 -1.0480 -1.0232 -1.0213 -0.6233 -0.6227 -0.6097 -0.6087 -0.3226 -0.3213 -0.2455 -0.2450 5.5524 5.5526 5.6074 5.6077 6.5356 6.5359 6.8862 6.8864 7.6116 7.6120 k = 0.5000-0.0000 0.0713 ( 5932 PWs) bands (ev): -20.9137 -20.9137 -20.8904 -20.8904 -20.2117 -20.2117 -20.1977 -20.1977 -18.4690 -18.4690 -18.4452 -18.4452 -9.6670 -9.6667 -9.5457 -9.5453 -9.1946 -9.1942 -9.1779 -9.1773 -8.8054 -8.8050 -8.7870 -8.7867 -8.6892 -8.6890 -8.6807 -8.6804 -5.6406 -5.6406 -5.4533 -5.4533 -4.6504 -4.6502 -4.6342 -4.6340 -4.2899 -4.2895 -4.2773 -4.2769 -1.0491 -1.0481 -1.0215 -1.0199 -0.6265 -0.6260 -0.6125 -0.6117 -0.3217 -0.3207 -0.2411 -0.2407 5.5513 5.5515 5.6089 5.6091 6.5242 6.5245 6.8884 6.8886 7.6377 7.6381 k = 0.5000-0.0000 0.0571 ( 5932 PWs) bands (ev): -20.9141 -20.9141 -20.8900 -20.8900 -20.2119 -20.2119 -20.1974 -20.1974 -18.4694 -18.4694 -18.4447 -18.4447 -9.6685 -9.6683 -9.5424 -9.5421 -9.1959 -9.1956 -9.1790 -9.1786 -8.8052 -8.8049 -8.7863 -8.7860 -8.6894 -8.6892 -8.6805 -8.6804 -5.6437 -5.6436 -5.4494 -5.4494 -4.6510 -4.6508 -4.6343 -4.6341 -4.2902 -4.2899 -4.2772 -4.2769 -1.0489 -1.0481 -1.0200 -1.0187 -0.6292 -0.6289 -0.6150 -0.6143 -0.3209 -0.3201 -0.2375 -0.2371 5.5504 5.5506 5.6102 5.6104 6.5149 6.5151 6.8901 6.8902 7.6627 7.6631 k = 0.5000-0.0000 0.0428 ( 5932 PWs) bands (ev): -20.9145 -20.9145 -20.8896 -20.8896 -20.2121 -20.2121 -20.1972 -20.1972 -18.4698 -18.4698 -18.4444 -18.4444 -9.6696 -9.6695 -9.5397 -9.5395 -9.1970 -9.1967 -9.1800 -9.1797 -8.8050 -8.8048 -8.7857 -8.7855 -8.6895 -8.6894 -8.6804 -8.6803 -5.6460 -5.6460 -5.4463 -5.4463 -4.6515 -4.6514 -4.6343 -4.6342 -4.2905 -4.2903 -4.2771 -4.2769 -1.0488 -1.0481 -1.0188 -1.0178 -0.6314 -0.6311 -0.6170 -0.6164 -0.3203 -0.3196 -0.2345 -0.2343 5.5497 5.5498 5.6112 5.6114 6.5075 6.5077 6.8912 6.8913 7.6852 7.6856 k = 0.5000-0.0000 0.0285 ( 5926 PWs) bands (ev): -20.9147 -20.9147 -20.8894 -20.8894 -20.2123 -20.2123 -20.1971 -20.1971 -18.4700 -18.4700 -18.4441 -18.4441 -9.6704 -9.6703 -9.5377 -9.5376 -9.1977 -9.1975 -9.1807 -9.1805 -8.8049 -8.8047 -8.7852 -8.7851 -8.6896 -8.6895 -8.6803 -8.6802 -5.6477 -5.6477 -5.4440 -5.4440 -4.6518 -4.6517 -4.6344 -4.6343 -4.2907 -4.2905 -4.2770 -4.2769 -1.0486 -1.0482 -1.0178 -1.0172 -0.6330 -0.6328 -0.6184 -0.6180 -0.3197 -0.3192 -0.2324 -0.2322 5.5492 5.5493 5.6119 5.6120 6.5022 6.5023 6.8920 6.8921 7.7000 7.7000 k = 0.5000-0.0000 0.0143 ( 5928 PWs) bands (ev): -20.9148 -20.9148 -20.8892 -20.8892 -20.2123 -20.2123 -20.1970 -20.1970 -18.4702 -18.4702 -18.4440 -18.4440 -9.6709 -9.6709 -9.5365 -9.5365 -9.1981 -9.1980 -9.1811 -9.1810 -8.8048 -8.8047 -8.7850 -8.7849 -8.6896 -8.6896 -8.6803 -8.6802 -5.6488 -5.6487 -5.4427 -5.4427 -4.6520 -4.6520 -4.6344 -4.6343 -4.2908 -4.2907 -4.2770 -4.2769 -1.0485 -1.0483 -1.0172 -1.0169 -0.6339 -0.6338 -0.6192 -0.6190 -0.3193 -0.3191 -0.2310 -0.2310 5.5489 5.5490 5.6124 5.6124 6.4990 6.4991 6.8925 6.8925 7.7075 7.7076 k = 0.5000-0.0000-0.0000 ( 5936 PWs) bands (ev): -20.9149 -20.9149 -20.8892 -20.8892 -20.2124 -20.2124 -20.1970 -20.1970 -18.4703 -18.4703 -18.4440 -18.4440 -9.6711 -9.6711 -9.5361 -9.5361 -9.1983 -9.1983 -9.1812 -9.1812 -8.8048 -8.8048 -8.7848 -8.7848 -8.6897 -8.6897 -8.6802 -8.6802 -5.6491 -5.6491 -5.4422 -5.4422 -4.6521 -4.6521 -4.6344 -4.6344 -4.2908 -4.2908 -4.2769 -4.2769 -1.0484 -1.0484 -1.0169 -1.0169 -0.6342 -0.6342 -0.6194 -0.6194 -0.3191 -0.3191 -0.2306 -0.2306 5.5488 5.5488 5.6126 5.6126 6.4980 6.4980 6.8927 6.8927 7.7101 7.7101 k = 0.0000 0.0000 0.2568 ( 5992 PWs) bands (ev): -20.9881 -20.9881 -20.9881 -20.9881 -20.1218 -20.1218 -20.1218 -20.1218 -18.4455 -18.4455 -18.4455 -18.4455 -9.3701 -9.3701 -9.3696 -9.3696 -9.1954 -9.1954 -9.1946 -9.1946 -8.8847 -8.8847 -8.8844 -8.8844 -8.7070 -8.7070 -8.7069 -8.7069 -5.6702 -5.6702 -5.6700 -5.6700 -4.7164 -4.7164 -4.7156 -4.7156 -4.2492 -4.2492 -4.2487 -4.2487 -1.0127 -1.0127 -1.0123 -1.0123 -0.6482 -0.6482 -0.6464 -0.6464 -0.4083 -0.4083 -0.4070 -0.4070 5.5651 5.5651 5.5652 5.5652 5.9570 5.9570 5.9572 5.9572 8.3614 8.3617 k = 0.0147-0.0000 0.2568 ( 5984 PWs) bands (ev): -20.9879 -20.9879 -20.9879 -20.9879 -20.1219 -20.1219 -20.1219 -20.1219 -18.4455 -18.4455 -18.4455 -18.4455 -9.3708 -9.3708 -9.3703 -9.3703 -9.1954 -9.1954 -9.1946 -9.1946 -8.8844 -8.8844 -8.8840 -8.8840 -8.7070 -8.7070 -8.7069 -8.7069 -5.6699 -5.6699 -5.6697 -5.6697 -4.7162 -4.7162 -4.7155 -4.7155 -4.2493 -4.2493 -4.2487 -4.2487 -1.0128 -1.0128 -1.0123 -1.0123 -0.6484 -0.6484 -0.6463 -0.6463 -0.4083 -0.4083 -0.4065 -0.4065 5.5651 5.5651 5.5652 5.5652 5.9581 5.9581 5.9582 5.9582 8.3615 8.3620 k = 0.0294-0.0000 0.2568 ( 5982 PWs) bands (ev): -20.9874 -20.9874 -20.9874 -20.9874 -20.1224 -20.1224 -20.1224 -20.1224 -18.4456 -18.4456 -18.4456 -18.4456 -9.3728 -9.3728 -9.3722 -9.3722 -9.1954 -9.1954 -9.1945 -9.1945 -8.8834 -8.8834 -8.8828 -8.8828 -8.7071 -8.7071 -8.7068 -8.7068 -5.6691 -5.6691 -5.6689 -5.6689 -4.7158 -4.7158 -4.7151 -4.7151 -4.2495 -4.2495 -4.2489 -4.2489 -1.0128 -1.0128 -1.0123 -1.0123 -0.6488 -0.6488 -0.6460 -0.6460 -0.4078 -0.4078 -0.4052 -0.4052 5.5651 5.5651 5.5653 5.5653 5.9611 5.9611 5.9614 5.9614 8.3623 8.3626 k = 0.0441-0.0000 0.2568 ( 5980 PWs) bands (ev): -20.9866 -20.9866 -20.9866 -20.9866 -20.1232 -20.1232 -20.1232 -20.1232 -18.4457 -18.4457 -18.4457 -18.4457 -9.3760 -9.3760 -9.3754 -9.3754 -9.1953 -9.1953 -9.1944 -9.1944 -8.8817 -8.8817 -8.8809 -8.8809 -8.7072 -8.7072 -8.7067 -8.7067 -5.6676 -5.6676 -5.6674 -5.6674 -4.7152 -4.7152 -4.7143 -4.7143 -4.2498 -4.2498 -4.2492 -4.2492 -1.0130 -1.0130 -1.0123 -1.0123 -0.6493 -0.6493 -0.6458 -0.6458 -0.4069 -0.4069 -0.4032 -0.4032 5.5651 5.5651 5.5654 5.5654 5.9662 5.9662 5.9665 5.9665 8.3634 8.3638 k = 0.0588-0.0000 0.2568 ( 5976 PWs) bands (ev): -20.9854 -20.9854 -20.9854 -20.9854 -20.1243 -20.1243 -20.1243 -20.1243 -18.4459 -18.4459 -18.4459 -18.4459 -9.3805 -9.3805 -9.3798 -9.3798 -9.1951 -9.1951 -9.1942 -9.1942 -8.8794 -8.8794 -8.8783 -8.8783 -8.7072 -8.7072 -8.7066 -8.7066 -5.6656 -5.6656 -5.6654 -5.6654 -4.7142 -4.7142 -4.7134 -4.7134 -4.2503 -4.2503 -4.2496 -4.2496 -1.0131 -1.0131 -1.0124 -1.0124 -0.6498 -0.6498 -0.6455 -0.6455 -0.4054 -0.4054 -0.4007 -0.4007 5.5652 5.5652 5.5656 5.5656 5.9733 5.9733 5.9737 5.9737 8.3648 8.3653 k = 0.0735-0.0000 0.2568 ( 5978 PWs) bands (ev): -20.9840 -20.9840 -20.9840 -20.9840 -20.1257 -20.1257 -20.1256 -20.1256 -18.4461 -18.4461 -18.4461 -18.4461 -9.3861 -9.3861 -9.3854 -9.3854 -9.1949 -9.1949 -9.1939 -9.1939 -8.8764 -8.8764 -8.8752 -8.8752 -8.7073 -8.7073 -8.7065 -8.7065 -5.6631 -5.6631 -5.6629 -5.6629 -4.7130 -4.7130 -4.7121 -4.7121 -4.2508 -4.2508 -4.2501 -4.2501 -1.0133 -1.0133 -1.0125 -1.0125 -0.6503 -0.6503 -0.6452 -0.6452 -0.4034 -0.4034 -0.3977 -0.3977 5.5652 5.5652 5.5657 5.5657 5.9824 5.9824 5.9830 5.9830 8.3665 8.3668 k = 0.0882-0.0000 0.2568 ( 5982 PWs) bands (ev): -20.9822 -20.9822 -20.9822 -20.9822 -20.1273 -20.1273 -20.1273 -20.1273 -18.4464 -18.4464 -18.4464 -18.4464 -9.3928 -9.3928 -9.3920 -9.3920 -9.1946 -9.1946 -9.1936 -9.1936 -8.8730 -8.8730 -8.8715 -8.8715 -8.7073 -8.7073 -8.7064 -8.7064 -5.6601 -5.6601 -5.6599 -5.6599 -4.7115 -4.7115 -4.7105 -4.7105 -4.2515 -4.2515 -4.2507 -4.2507 -1.0136 -1.0136 -1.0127 -1.0127 -0.6507 -0.6507 -0.6449 -0.6449 -0.4009 -0.4009 -0.3944 -0.3944 5.5654 5.5654 5.5659 5.5659 5.9936 5.9936 5.9942 5.9942 8.3681 8.3686 k = 0.1029-0.0000 0.2568 ( 5986 PWs) bands (ev): -20.9802 -20.9802 -20.9802 -20.9802 -20.1293 -20.1293 -20.1293 -20.1293 -18.4467 -18.4467 -18.4467 -18.4467 -9.4004 -9.4004 -9.3996 -9.3996 -9.1942 -9.1942 -9.1932 -9.1932 -8.8692 -8.8692 -8.8675 -8.8675 -8.7073 -8.7073 -8.7063 -8.7063 -5.6566 -5.6566 -5.6564 -5.6564 -4.7098 -4.7098 -4.7087 -4.7087 -4.2523 -4.2523 -4.2515 -4.2515 -1.0140 -1.0140 -1.0129 -1.0129 -0.6509 -0.6509 -0.6444 -0.6444 -0.3980 -0.3980 -0.3906 -0.3906 5.5655 5.5655 5.5661 5.5661 6.0067 6.0067 6.0074 6.0074 8.3696 8.3699 k = 0.1176-0.0000 0.2568 ( 5988 PWs) bands (ev): -20.9779 -20.9779 -20.9779 -20.9779 -20.1315 -20.1315 -20.1315 -20.1315 -18.4470 -18.4470 -18.4470 -18.4470 -9.4089 -9.4089 -9.4081 -9.4081 -9.1937 -9.1937 -9.1927 -9.1927 -8.8650 -8.8650 -8.8631 -8.8631 -8.7073 -8.7073 -8.7061 -8.7061 -5.6528 -5.6528 -5.6525 -5.6525 -4.7078 -4.7078 -4.7067 -4.7067 -4.2532 -4.2532 -4.2523 -4.2523 -1.0145 -1.0145 -1.0132 -1.0132 -0.6509 -0.6509 -0.6438 -0.6438 -0.3947 -0.3947 -0.3866 -0.3866 5.5657 5.5657 5.5664 5.5664 6.0218 6.0218 6.0225 6.0225 8.3702 8.3705 k = 0.1324-0.0000 0.2568 ( 5984 PWs) bands (ev): -20.9753 -20.9753 -20.9753 -20.9753 -20.1340 -20.1340 -20.1340 -20.1340 -18.4474 -18.4474 -18.4474 -18.4474 -9.4181 -9.4181 -9.4173 -9.4173 -9.1931 -9.1931 -9.1921 -9.1921 -8.8605 -8.8605 -8.8585 -8.8585 -8.7072 -8.7072 -8.7059 -8.7059 -5.6485 -5.6485 -5.6482 -5.6482 -4.7056 -4.7056 -4.7044 -4.7044 -4.2542 -4.2542 -4.2532 -4.2532 -1.0151 -1.0151 -1.0136 -1.0136 -0.6506 -0.6506 -0.6429 -0.6429 -0.3911 -0.3911 -0.3824 -0.3824 5.5658 5.5658 5.5666 5.5666 6.0387 6.0387 6.0396 6.0396 8.3698 8.3702 k = 0.1471-0.0000 0.2568 ( 5978 PWs) bands (ev): -20.9725 -20.9725 -20.9724 -20.9724 -20.1367 -20.1367 -20.1367 -20.1367 -18.4478 -18.4478 -18.4478 -18.4478 -9.4280 -9.4280 -9.4272 -9.4272 -9.1924 -9.1924 -9.1914 -9.1914 -8.8559 -8.8559 -8.8538 -8.8538 -8.7070 -8.7070 -8.7056 -8.7056 -5.6439 -5.6439 -5.6436 -5.6436 -4.7032 -4.7032 -4.7019 -4.7019 -4.2553 -4.2553 -4.2542 -4.2542 -1.0158 -1.0158 -1.0142 -1.0142 -0.6500 -0.6500 -0.6418 -0.6418 -0.3873 -0.3873 -0.3780 -0.3780 5.5661 5.5661 5.5669 5.5669 6.0576 6.0576 6.0585 6.0585 8.3675 8.3677 k = 0.1618-0.0000 0.2568 ( 5980 PWs) bands (ev): -20.9694 -20.9694 -20.9694 -20.9694 -20.1397 -20.1397 -20.1397 -20.1397 -18.4483 -18.4483 -18.4483 -18.4483 -9.4384 -9.4384 -9.4375 -9.4375 -9.1916 -9.1916 -9.1906 -9.1906 -8.8513 -8.8513 -8.8490 -8.8490 -8.7068 -8.7068 -8.7053 -8.7053 -5.6390 -5.6390 -5.6388 -5.6388 -4.7005 -4.7005 -4.6992 -4.6992 -4.2564 -4.2564 -4.2554 -4.2554 -1.0166 -1.0166 -1.0149 -1.0149 -0.6491 -0.6491 -0.6405 -0.6405 -0.3833 -0.3833 -0.3735 -0.3735 5.5663 5.5663 5.5672 5.5672 6.0783 6.0783 6.0792 6.0792 8.3626 8.3628 k = 0.1765-0.0000 0.2568 ( 5976 PWs) bands (ev): -20.9661 -20.9661 -20.9661 -20.9661 -20.1428 -20.1428 -20.1428 -20.1428 -18.4488 -18.4488 -18.4487 -18.4487 -9.4492 -9.4492 -9.4483 -9.4483 -9.1908 -9.1908 -9.1897 -9.1897 -8.8466 -8.8466 -8.8443 -8.8443 -8.7064 -8.7064 -8.7049 -8.7049 -5.6339 -5.6339 -5.6336 -5.6336 -4.6977 -4.6977 -4.6963 -4.6963 -4.2577 -4.2577 -4.2565 -4.2565 -1.0176 -1.0176 -1.0157 -1.0157 -0.6477 -0.6477 -0.6388 -0.6388 -0.3791 -0.3791 -0.3689 -0.3689 5.5666 5.5666 5.5675 5.5675 6.1007 6.1007 6.1017 6.1017 8.3535 8.3539 k = 0.1912-0.0000 0.2568 ( 5976 PWs) bands (ev): -20.9627 -20.9627 -20.9627 -20.9627 -20.1461 -20.1461 -20.1461 -20.1461 -18.4492 -18.4492 -18.4492 -18.4492 -9.4603 -9.4603 -9.4594 -9.4594 -9.1898 -9.1898 -9.1887 -9.1887 -8.8420 -8.8420 -8.8396 -8.8396 -8.7060 -8.7060 -8.7044 -8.7044 -5.6286 -5.6286 -5.6284 -5.6284 -4.6946 -4.6946 -4.6932 -4.6932 -4.2590 -4.2590 -4.2578 -4.2578 -1.0187 -1.0187 -1.0166 -1.0166 -0.6460 -0.6460 -0.6368 -0.6368 -0.3749 -0.3749 -0.3643 -0.3643 5.5669 5.5669 5.5679 5.5679 6.1249 6.1249 6.1260 6.1260 8.3394 8.3397 k = 0.2059-0.0000 0.2568 ( 5970 PWs) bands (ev): -20.9591 -20.9591 -20.9590 -20.9590 -20.1496 -20.1496 -20.1496 -20.1496 -18.4498 -18.4498 -18.4497 -18.4497 -9.4716 -9.4716 -9.4707 -9.4707 -9.1887 -9.1887 -9.1877 -9.1877 -8.8376 -8.8376 -8.8351 -8.8351 -8.7055 -8.7055 -8.7038 -8.7038 -5.6232 -5.6232 -5.6230 -5.6230 -4.6914 -4.6914 -4.6899 -4.6899 -4.2604 -4.2604 -4.2591 -4.2591 -1.0199 -1.0199 -1.0177 -1.0177 -0.6438 -0.6438 -0.6344 -0.6344 -0.3705 -0.3705 -0.3597 -0.3597 5.5673 5.5673 5.5682 5.5682 6.1508 6.1508 6.1519 6.1519 8.3190 8.3193 k = 0.2206-0.0000 0.2568 ( 5972 PWs) bands (ev): -20.9553 -20.9553 -20.9553 -20.9553 -20.1532 -20.1532 -20.1532 -20.1532 -18.4503 -18.4503 -18.4503 -18.4503 -9.4829 -9.4829 -9.4821 -9.4821 -9.1876 -9.1876 -9.1866 -9.1866 -8.8333 -8.8333 -8.8308 -8.8308 -8.7048 -8.7048 -8.7031 -8.7031 -5.6178 -5.6178 -5.6175 -5.6175 -4.6881 -4.6881 -4.6866 -4.6866 -4.2618 -4.2618 -4.2605 -4.2605 -1.0212 -1.0212 -1.0189 -1.0189 -0.6413 -0.6413 -0.6318 -0.6318 -0.3662 -0.3662 -0.3553 -0.3553 5.5677 5.5677 5.5687 5.5687 6.1782 6.1782 6.1793 6.1793 8.2914 8.2918 k = 0.2353-0.0000 0.2568 ( 5966 PWs) bands (ev): -20.9515 -20.9515 -20.9515 -20.9515 -20.1569 -20.1569 -20.1569 -20.1569 -18.4508 -18.4508 -18.4508 -18.4508 -9.4943 -9.4943 -9.4934 -9.4934 -9.1865 -9.1865 -9.1854 -9.1854 -8.8293 -8.8293 -8.8268 -8.8268 -8.7040 -8.7040 -8.7022 -8.7022 -5.6123 -5.6123 -5.6120 -5.6120 -4.6846 -4.6846 -4.6831 -4.6831 -4.2632 -4.2632 -4.2619 -4.2619 -1.0227 -1.0227 -1.0202 -1.0202 -0.6384 -0.6384 -0.6288 -0.6288 -0.3620 -0.3620 -0.3509 -0.3509 5.5682 5.5682 5.5691 5.5691 6.2072 6.2072 6.2083 6.2083 8.2565 8.2569 k = 0.2500-0.0000 0.2568 ( 5962 PWs) bands (ev): -20.9475 -20.9475 -20.9475 -20.9475 -20.1607 -20.1607 -20.1607 -20.1607 -18.4513 -18.4513 -18.4513 -18.4513 -9.5056 -9.5056 -9.5047 -9.5047 -9.1852 -9.1852 -9.1842 -9.1842 -8.8255 -8.8255 -8.8231 -8.8231 -8.7030 -8.7030 -8.7013 -8.7013 -5.6068 -5.6068 -5.6066 -5.6066 -4.6810 -4.6810 -4.6795 -4.6795 -4.2647 -4.2647 -4.2634 -4.2634 -1.0242 -1.0242 -1.0217 -1.0217 -0.6352 -0.6352 -0.6256 -0.6256 -0.3577 -0.3577 -0.3467 -0.3467 5.5686 5.5686 5.5696 5.5696 6.2377 6.2377 6.2388 6.2388 8.2148 8.2152 k = 0.2647-0.0000 0.2568 ( 5958 PWs) bands (ev): -20.9436 -20.9436 -20.9436 -20.9436 -20.1645 -20.1645 -20.1645 -20.1645 -18.4519 -18.4519 -18.4519 -18.4519 -9.5167 -9.5167 -9.5158 -9.5158 -9.1840 -9.1840 -9.1830 -9.1830 -8.8221 -8.8221 -8.8197 -8.8197 -8.7020 -8.7020 -8.7003 -8.7003 -5.6015 -5.6015 -5.6012 -5.6012 -4.6774 -4.6774 -4.6759 -4.6759 -4.2662 -4.2662 -4.2649 -4.2649 -1.0259 -1.0259 -1.0232 -1.0232 -0.6316 -0.6316 -0.6221 -0.6221 -0.3536 -0.3536 -0.3426 -0.3426 5.5692 5.5692 5.5701 5.5701 6.2695 6.2695 6.2706 6.2706 8.1671 8.1675 k = 0.2794-0.0000 0.2568 ( 5962 PWs) bands (ev): -20.9396 -20.9396 -20.9396 -20.9396 -20.1684 -20.1684 -20.1684 -20.1684 -18.4524 -18.4524 -18.4524 -18.4524 -9.5275 -9.5275 -9.5266 -9.5266 -9.1827 -9.1827 -9.1817 -9.1817 -8.8190 -8.8190 -8.8166 -8.8166 -8.7008 -8.7008 -8.6991 -8.6991 -5.5962 -5.5962 -5.5960 -5.5960 -4.6738 -4.6738 -4.6722 -4.6722 -4.2677 -4.2677 -4.2664 -4.2664 -1.0276 -1.0276 -1.0248 -1.0248 -0.6279 -0.6279 -0.6185 -0.6185 -0.3496 -0.3496 -0.3388 -0.3388 5.5698 5.5698 5.5707 5.5707 6.3025 6.3025 6.3037 6.3037 8.1148 8.1152 k = 0.2941-0.0000 0.2568 ( 5962 PWs) bands (ev): -20.9357 -20.9357 -20.9357 -20.9357 -20.1722 -20.1722 -20.1722 -20.1722 -18.4529 -18.4529 -18.4529 -18.4529 -9.5379 -9.5379 -9.5371 -9.5371 -9.1814 -9.1814 -9.1804 -9.1804 -8.8162 -8.8162 -8.8139 -8.8139 -8.6995 -8.6995 -8.6979 -8.6979 -5.5912 -5.5912 -5.5909 -5.5909 -4.6701 -4.6701 -4.6686 -4.6686 -4.2692 -4.2692 -4.2678 -4.2678 -1.0293 -1.0293 -1.0264 -1.0264 -0.6239 -0.6239 -0.6147 -0.6147 -0.3458 -0.3458 -0.3351 -0.3351 5.5704 5.5704 5.5713 5.5713 6.3368 6.3368 6.3380 6.3380 8.0590 8.0590 k = 0.3088-0.0000 0.2568 ( 5948 PWs) bands (ev): -20.9318 -20.9318 -20.9318 -20.9318 -20.1759 -20.1759 -20.1759 -20.1759 -18.4534 -18.4534 -18.4534 -18.4534 -9.5480 -9.5480 -9.5472 -9.5472 -9.1802 -9.1802 -9.1791 -9.1791 -8.8137 -8.8137 -8.8115 -8.8115 -8.6981 -8.6981 -8.6965 -8.6965 -5.5863 -5.5863 -5.5861 -5.5861 -4.6665 -4.6665 -4.6650 -4.6650 -4.2706 -4.2706 -4.2693 -4.2693 -1.0310 -1.0310 -1.0281 -1.0281 -0.6198 -0.6198 -0.6108 -0.6108 -0.3421 -0.3421 -0.3317 -0.3317 5.5710 5.5710 5.5720 5.5720 6.3721 6.3721 6.3733 6.3733 8.0008 8.0008 k = 0.3235-0.0000 0.2568 ( 5950 PWs) bands (ev): -20.9280 -20.9280 -20.9280 -20.9280 -20.1796 -20.1796 -20.1796 -20.1796 -18.4539 -18.4539 -18.4539 -18.4539 -9.5576 -9.5576 -9.5568 -9.5568 -9.1789 -9.1789 -9.1779 -9.1779 -8.8115 -8.8115 -8.8095 -8.8095 -8.6966 -8.6966 -8.6952 -8.6952 -5.5817 -5.5817 -5.5815 -5.5815 -4.6629 -4.6629 -4.6615 -4.6615 -4.2721 -4.2721 -4.2707 -4.2707 -1.0327 -1.0327 -1.0298 -1.0298 -0.6156 -0.6156 -0.6069 -0.6069 -0.3385 -0.3385 -0.3286 -0.3286 5.5717 5.5717 5.5726 5.5726 6.4084 6.4084 6.4095 6.4095 7.9412 7.9414 k = 0.3382-0.0000 0.2568 ( 5944 PWs) bands (ev): -20.9243 -20.9243 -20.9243 -20.9243 -20.1831 -20.1831 -20.1831 -20.1831 -18.4543 -18.4543 -18.4543 -18.4543 -9.5666 -9.5666 -9.5658 -9.5658 -9.1777 -9.1777 -9.1766 -9.1766 -8.8097 -8.8097 -8.8077 -8.8077 -8.6952 -8.6952 -8.6938 -8.6938 -5.5773 -5.5773 -5.5771 -5.5771 -4.6595 -4.6595 -4.6581 -4.6581 -4.2734 -4.2734 -4.2721 -4.2721 -1.0344 -1.0344 -1.0314 -1.0314 -0.6114 -0.6114 -0.6031 -0.6031 -0.3352 -0.3352 -0.3257 -0.3257 5.5724 5.5724 5.5733 5.5733 6.4454 6.4454 6.4465 6.4465 7.8810 7.8810 k = 0.3529-0.0000 0.2568 ( 5946 PWs) bands (ev): -20.9208 -20.9208 -20.9208 -20.9208 -20.1865 -20.1865 -20.1865 -20.1865 -18.4547 -18.4547 -18.4547 -18.4547 -9.5750 -9.5750 -9.5743 -9.5743 -9.1765 -9.1765 -9.1755 -9.1755 -8.8081 -8.8081 -8.8063 -8.8063 -8.6937 -8.6937 -8.6924 -8.6924 -5.5733 -5.5733 -5.5731 -5.5731 -4.6562 -4.6562 -4.6549 -4.6549 -4.2747 -4.2747 -4.2735 -4.2735 -1.0360 -1.0360 -1.0330 -1.0330 -0.6072 -0.6072 -0.5994 -0.5994 -0.3321 -0.3321 -0.3231 -0.3231 5.5731 5.5731 5.5739 5.5739 6.4829 6.4829 6.4840 6.4840 7.8209 7.8210 k = 0.3676-0.0000 0.2568 ( 5942 PWs) bands (ev): -20.9176 -20.9176 -20.9176 -20.9176 -20.1897 -20.1897 -20.1897 -20.1897 -18.4551 -18.4551 -18.4551 -18.4551 -9.5828 -9.5828 -9.5821 -9.5821 -9.1754 -9.1754 -9.1743 -9.1743 -8.8067 -8.8067 -8.8050 -8.8050 -8.6922 -8.6922 -8.6911 -8.6911 -5.5695 -5.5695 -5.5693 -5.5693 -4.6531 -4.6531 -4.6519 -4.6519 -4.2760 -4.2760 -4.2747 -4.2747 -1.0375 -1.0375 -1.0346 -1.0346 -0.6032 -0.6032 -0.5959 -0.5959 -0.3291 -0.3291 -0.3207 -0.3207 5.5738 5.5738 5.5746 5.5746 6.5208 6.5208 6.5218 6.5218 7.7617 7.7617 k = 0.3824-0.0000 0.2568 ( 5942 PWs) bands (ev): -20.9145 -20.9145 -20.9145 -20.9145 -20.1927 -20.1927 -20.1927 -20.1927 -18.4555 -18.4555 -18.4555 -18.4555 -9.5899 -9.5899 -9.5892 -9.5892 -9.1744 -9.1744 -9.1733 -9.1733 -8.8056 -8.8056 -8.8041 -8.8041 -8.6908 -8.6908 -8.6897 -8.6897 -5.5661 -5.5661 -5.5660 -5.5660 -4.6502 -4.6502 -4.6490 -4.6490 -4.2771 -4.2771 -4.2759 -4.2759 -1.0390 -1.0390 -1.0360 -1.0360 -0.5994 -0.5994 -0.5927 -0.5927 -0.3264 -0.3264 -0.3187 -0.3187 5.5745 5.5745 5.5752 5.5752 6.5586 6.5586 6.5596 6.5596 7.7041 7.7041 k = 0.3971-0.0000 0.2568 ( 5940 PWs) bands (ev): -20.9118 -20.9118 -20.9117 -20.9117 -20.1954 -20.1954 -20.1954 -20.1954 -18.4558 -18.4558 -18.4558 -18.4558 -9.5963 -9.5963 -9.5955 -9.5955 -9.1734 -9.1734 -9.1723 -9.1723 -8.8047 -8.8047 -8.8033 -8.8033 -8.6895 -8.6895 -8.6885 -8.6885 -5.5631 -5.5631 -5.5629 -5.5629 -4.6475 -4.6475 -4.6464 -4.6464 -4.2782 -4.2782 -4.2770 -4.2770 -1.0403 -1.0403 -1.0373 -1.0373 -0.5957 -0.5957 -0.5897 -0.5897 -0.3240 -0.3240 -0.3170 -0.3170 5.5751 5.5751 5.5758 5.5758 6.5959 6.5959 6.5968 6.5968 7.6487 7.6487 k = 0.4118-0.0000 0.2568 ( 5936 PWs) bands (ev): -20.9093 -20.9093 -20.9093 -20.9093 -20.1978 -20.1978 -20.1978 -20.1978 -18.4561 -18.4561 -18.4561 -18.4561 -9.6019 -9.6019 -9.6011 -9.6011 -9.1726 -9.1726 -9.1715 -9.1715 -8.8040 -8.8040 -8.8027 -8.8027 -8.6883 -8.6883 -8.6874 -8.6874 -5.5604 -5.5604 -5.5603 -5.5603 -4.6451 -4.6451 -4.6442 -4.6442 -4.2791 -4.2791 -4.2779 -4.2779 -1.0414 -1.0414 -1.0385 -1.0385 -0.5924 -0.5924 -0.5871 -0.5871 -0.3217 -0.3217 -0.3155 -0.3155 5.5757 5.5757 5.5764 5.5764 6.6321 6.6321 6.6330 6.6330 7.5964 7.5964 k = 0.4265-0.0000 0.2568 ( 5932 PWs) bands (ev): -20.9071 -20.9071 -20.9071 -20.9071 -20.1998 -20.1998 -20.1998 -20.1998 -18.4563 -18.4563 -18.4563 -18.4563 -9.6066 -9.6066 -9.6059 -9.6059 -9.1718 -9.1718 -9.1707 -9.1707 -8.8034 -8.8034 -8.8022 -8.8022 -8.6872 -8.6872 -8.6864 -8.6864 -5.5582 -5.5582 -5.5580 -5.5580 -4.6430 -4.6430 -4.6422 -4.6422 -4.2799 -4.2799 -4.2788 -4.2788 -1.0424 -1.0424 -1.0395 -1.0395 -0.5895 -0.5895 -0.5849 -0.5849 -0.3197 -0.3197 -0.3144 -0.3144 5.5763 5.5763 5.5769 5.5769 6.6664 6.6664 6.6672 6.6672 7.5482 7.5482 k = 0.4412-0.0000 0.2568 ( 5938 PWs) bands (ev): -20.9054 -20.9054 -20.9053 -20.9053 -20.2016 -20.2016 -20.2016 -20.2016 -18.4565 -18.4565 -18.4565 -18.4565 -9.6106 -9.6106 -9.6099 -9.6099 -9.1712 -9.1712 -9.1701 -9.1701 -8.8029 -8.8029 -8.8019 -8.8019 -8.6863 -8.6863 -8.6856 -8.6856 -5.5563 -5.5563 -5.5562 -5.5562 -4.6413 -4.6413 -4.6405 -4.6405 -4.2805 -4.2805 -4.2795 -4.2795 -1.0433 -1.0433 -1.0404 -1.0404 -0.5869 -0.5869 -0.5831 -0.5831 -0.3180 -0.3180 -0.3135 -0.3135 5.5767 5.5767 5.5773 5.5773 6.6978 6.6978 6.6985 6.6985 7.5053 7.5053 k = 0.4559-0.0000 0.2568 ( 5938 PWs) bands (ev): -20.9039 -20.9039 -20.9039 -20.9039 -20.2030 -20.2030 -20.2030 -20.2030 -18.4567 -18.4567 -18.4567 -18.4567 -9.6137 -9.6137 -9.6130 -9.6130 -9.1707 -9.1707 -9.1696 -9.1696 -8.8026 -8.8026 -8.8016 -8.8016 -8.6856 -8.6856 -8.6850 -8.6850 -5.5549 -5.5549 -5.5547 -5.5547 -4.6399 -4.6399 -4.6392 -4.6392 -4.2811 -4.2811 -4.2800 -4.2800 -1.0439 -1.0439 -1.0410 -1.0410 -0.5847 -0.5847 -0.5818 -0.5818 -0.3166 -0.3166 -0.3130 -0.3130 5.5771 5.5771 5.5777 5.5777 6.7249 6.7249 6.7254 6.7254 7.4692 7.4692 k = 0.4706-0.0000 0.2568 ( 5942 PWs) bands (ev): -20.9029 -20.9029 -20.9029 -20.9029 -20.2040 -20.2040 -20.2040 -20.2040 -18.4568 -18.4568 -18.4568 -18.4568 -9.6159 -9.6159 -9.6152 -9.6152 -9.1704 -9.1704 -9.1693 -9.1693 -8.8024 -8.8024 -8.8015 -8.8015 -8.6851 -8.6851 -8.6845 -8.6845 -5.5538 -5.5538 -5.5537 -5.5537 -4.6389 -4.6389 -4.6383 -4.6383 -4.2814 -4.2814 -4.2804 -4.2804 -1.0444 -1.0444 -1.0415 -1.0415 -0.5831 -0.5831 -0.5809 -0.5809 -0.3155 -0.3155 -0.3127 -0.3127 5.5774 5.5774 5.5779 5.5779 6.7460 6.7460 6.7464 6.7464 7.4415 7.4418 k = 0.4853-0.0000 0.2568 ( 5936 PWs) bands (ev): -20.9023 -20.9023 -20.9023 -20.9023 -20.2046 -20.2046 -20.2046 -20.2046 -18.4569 -18.4569 -18.4569 -18.4569 -9.6172 -9.6172 -9.6165 -9.6165 -9.1702 -9.1702 -9.1691 -9.1691 -8.8022 -8.8022 -8.8014 -8.8014 -8.6847 -8.6847 -8.6842 -8.6842 -5.5532 -5.5532 -5.5531 -5.5531 -4.6382 -4.6382 -4.6377 -4.6377 -4.2817 -4.2817 -4.2807 -4.2807 -1.0447 -1.0447 -1.0418 -1.0418 -0.5820 -0.5820 -0.5805 -0.5805 -0.3147 -0.3147 -0.3125 -0.3125 5.5775 5.5775 5.5781 5.5781 6.7597 6.7597 6.7599 6.7599 7.4241 7.4241 k = 0.5000-0.0000 0.2568 ( 5944 PWs) bands (ev): -20.9021 -20.9021 -20.9021 -20.9021 -20.2048 -20.2048 -20.2048 -20.2048 -18.4569 -18.4569 -18.4569 -18.4569 -9.6177 -9.6177 -9.6170 -9.6170 -9.1701 -9.1701 -9.1690 -9.1690 -8.8022 -8.8022 -8.8014 -8.8014 -8.6846 -8.6846 -8.6841 -8.6841 -5.5530 -5.5530 -5.5529 -5.5529 -4.6380 -4.6380 -4.6375 -4.6375 -4.2818 -4.2818 -4.2808 -4.2808 -1.0448 -1.0448 -1.0419 -1.0419 -0.5816 -0.5816 -0.5804 -0.5804 -0.3144 -0.3144 -0.3125 -0.3125 5.5776 5.5776 5.5781 5.5781 6.7644 6.7644 6.7645 6.7645 7.4181 7.4181 Writing output data file H5CNO2.save init_run : 0.90s CPU 0.60s WALL ( 1 calls) electrons : 293.04s CPU 224.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.11s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 293.03s CPU 224.89s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.41s CPU 0.49s WALL ( 267 calls) cegterg : 259.83s CPU 204.32s WALL ( 511 calls) Called by sum_band: Called by *egterg: h_psi : 143.43s CPU 99.23s WALL ( 7287 calls) s_psi : 7.12s CPU 4.80s WALL ( 7287 calls) g_psi : 0.48s CPU 0.35s WALL ( 6509 calls) cdiaghg : 95.64s CPU 83.79s WALL ( 6776 calls) cegterg:over : 15.32s CPU 11.61s WALL ( 6509 calls) cegterg:upda : 13.46s CPU 11.00s WALL ( 6509 calls) cegterg:last : 5.12s CPU 4.25s WALL ( 1045 calls) cdiaghg:chol : 5.26s CPU 4.80s WALL ( 6776 calls) cdiaghg:inve : 3.75s CPU 3.36s WALL ( 6776 calls) cdiaghg:para : 6.31s CPU 5.51s WALL ( 13552 calls) Called by h_psi: h_psi:vloc : 123.13s CPU 84.91s WALL ( 7287 calls) h_psi:vnl : 19.58s CPU 13.90s WALL ( 7287 calls) add_vuspsi : 8.90s CPU 6.16s WALL ( 7287 calls) General routines calbec : 10.66s CPU 7.71s WALL ( 7287 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 113.41s CPU 77.92s WALL ( 857468 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.32s CPU 1.21s WALL ( 534 calls) Parallel routines fft_scatter : 55.31s CPU 40.17s WALL ( 857491 calls) PWSCF : 5m12.82s CPU 4m19.95s WALL This run was terminated on: 15:47:13 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=