Program PWSCF v.5.4.0 starts on 21Mar2017 at 23:20:48 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Si5xH2Clx4.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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 33 9 1572 1155 170 Max 41 34 10 1576 1182 173 Sum 2913 2385 661 113283 84317 12335 bravais-lattice index = 14 lattice parameter (alat) = 13.9542 a.u. unit-cell volume = 2001.2677 (a.u.)^3 number of atoms/cell = 17 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.954237 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.226910 celldm(5)= -0.226910 celldm(6)= -0.546180 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.546180 0.837668 0.000000 ) a(3) = ( -0.226910 -0.418834 0.879255 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.652024 0.568663 ) b(2) = ( 0.000000 1.193791 0.568663 ) b(3) = ( 0.000000 0.000000 1.137326 ) PseudoPot. # 1 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. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Si 4.00 28.08550 Si( 1.00) Cl 7.00 35.45300 Cl( 1.00) No symmetry found 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0000000 0.0227465), wk = 0.0043290 k( 3) = ( 0.0000000 0.0000000 0.0454930), wk = 0.0043290 k( 4) = ( 0.0000000 0.0000000 0.0682396), wk = 0.0043290 k( 5) = ( 0.0000000 0.0000000 0.0909861), wk = 0.0043290 k( 6) = ( 0.0000000 0.0000000 0.1137326), wk = 0.0043290 k( 7) = ( 0.0000000 0.0000000 0.1364791), wk = 0.0043290 k( 8) = ( 0.0000000 0.0000000 0.1592256), wk = 0.0043290 k( 9) = ( 0.0000000 0.0000000 0.1819722), wk = 0.0043290 k( 10) = ( 0.0000000 0.0000000 0.2047187), wk = 0.0043290 k( 11) = ( 0.0000000 0.0000000 0.2274652), wk = 0.0043290 k( 12) = ( 0.0000000 0.0000000 0.2502117), wk = 0.0043290 k( 13) = ( 0.0000000 0.0000000 0.2729582), wk = 0.0043290 k( 14) = ( 0.0000000 0.0000000 0.2957048), wk = 0.0043290 k( 15) = ( 0.0000000 0.0000000 0.3184513), wk = 0.0043290 k( 16) = ( 0.0000000 0.0000000 0.3411978), wk = 0.0043290 k( 17) = ( 0.0000000 0.0000000 0.3639443), wk = 0.0043290 k( 18) = ( 0.0000000 0.0000000 0.3866908), wk = 0.0043290 k( 19) = ( 0.0000000 0.0000000 0.4094374), wk = 0.0043290 k( 20) = ( 0.0000000 0.0000000 0.4321839), wk = 0.0043290 k( 21) = ( 0.0000000 0.0000000 0.4549304), wk = 0.0043290 k( 22) = ( 0.0000000 0.0000000 0.4776769), wk = 0.0043290 k( 23) = ( 0.0000000 0.0000000 0.5004235), wk = 0.0043290 k( 24) = ( 0.0000000 0.0000000 0.5231700), wk = 0.0043290 k( 25) = ( 0.0000000 0.0000000 0.5459165), wk = 0.0043290 k( 26) = ( 0.0000000 0.0000000 0.5686630), wk = 0.0043290 k( 27) = ( 0.0000000 0.0000000 0.5686630), wk = 0.0043290 k( 28) = ( -0.0200000 0.0108353 0.5686630), wk = 0.0043290 k( 29) = ( -0.0400000 0.0216706 0.5686630), wk = 0.0043290 k( 30) = ( -0.0600000 0.0325060 0.5686630), wk = 0.0043290 k( 31) = ( -0.0800000 0.0433413 0.5686630), wk = 0.0043290 k( 32) = ( -0.1000000 0.0541766 0.5686630), wk = 0.0043290 k( 33) = ( -0.1200000 0.0650119 0.5686630), wk = 0.0043290 k( 34) = ( -0.1400000 0.0758473 0.5686630), wk = 0.0043290 k( 35) = ( -0.1600000 0.0866826 0.5686630), wk = 0.0043290 k( 36) = ( -0.1800000 0.0975179 0.5686630), wk = 0.0043290 k( 37) = ( -0.2000000 0.1083532 0.5686630), wk = 0.0043290 k( 38) = ( -0.2200000 0.1191885 0.5686630), wk = 0.0043290 k( 39) = ( -0.2400000 0.1300239 0.5686630), wk = 0.0043290 k( 40) = ( -0.2600000 0.1408592 0.5686630), wk = 0.0043290 k( 41) = ( -0.2800000 0.1516945 0.5686630), wk = 0.0043290 k( 42) = ( -0.3000000 0.1625298 0.5686630), wk = 0.0043290 k( 43) = ( -0.3200000 0.1733651 0.5686630), wk = 0.0043290 k( 44) = ( -0.3400000 0.1842005 0.5686630), wk = 0.0043290 k( 45) = ( -0.3600000 0.1950358 0.5686630), wk = 0.0043290 k( 46) = ( -0.3800000 0.2058711 0.5686630), wk = 0.0043290 k( 47) = ( -0.4000000 0.2167064 0.5686630), wk = 0.0043290 k( 48) = ( -0.4200000 0.2275418 0.5686630), wk = 0.0043290 k( 49) = ( -0.4400000 0.2383771 0.5686630), wk = 0.0043290 k( 50) = ( -0.4600000 0.2492124 0.5686630), wk = 0.0043290 k( 51) = ( -0.4800000 0.2600477 0.5686630), wk = 0.0043290 k( 52) = ( -0.5000000 0.2708830 0.5686630), wk = 0.0043290 k( 53) = ( -0.5000000 0.2708830 0.5686630), wk = 0.0043290 k( 54) = ( -0.4857143 0.2631435 0.5524155), wk = 0.0043290 k( 55) = ( -0.4714286 0.2554040 0.5361680), wk = 0.0043290 k( 56) = ( -0.4571429 0.2476645 0.5199205), wk = 0.0043290 k( 57) = ( -0.4428571 0.2399250 0.5036730), wk = 0.0043290 k( 58) = ( -0.4285714 0.2321855 0.4874254), wk = 0.0043290 k( 59) = ( -0.4142857 0.2244459 0.4711779), wk = 0.0043290 k( 60) = ( -0.4000000 0.2167064 0.4549304), wk = 0.0043290 k( 61) = ( -0.3857143 0.2089669 0.4386829), wk = 0.0043290 k( 62) = ( -0.3714286 0.2012274 0.4224354), wk = 0.0043290 k( 63) = ( -0.3571429 0.1934879 0.4061879), wk = 0.0043290 k( 64) = ( -0.3428571 0.1857484 0.3899403), wk = 0.0043290 k( 65) = ( -0.3285714 0.1780089 0.3736928), wk = 0.0043290 k( 66) = ( -0.3142857 0.1702693 0.3574453), wk = 0.0043290 k( 67) = ( -0.3000000 0.1625298 0.3411978), wk = 0.0043290 k( 68) = ( -0.2857143 0.1547903 0.3249503), wk = 0.0043290 k( 69) = ( -0.2714286 0.1470508 0.3087028), wk = 0.0043290 k( 70) = ( -0.2571429 0.1393113 0.2924553), wk = 0.0043290 k( 71) = ( -0.2428571 0.1315718 0.2762077), wk = 0.0043290 k( 72) = ( -0.2285714 0.1238322 0.2599602), wk = 0.0043290 k( 73) = ( -0.2142857 0.1160927 0.2437127), wk = 0.0043290 k( 74) = ( -0.2000000 0.1083532 0.2274652), wk = 0.0043290 k( 75) = ( -0.1857143 0.1006137 0.2112177), wk = 0.0043290 k( 76) = ( -0.1714286 0.0928742 0.1949702), wk = 0.0043290 k( 77) = ( -0.1571429 0.0851347 0.1787227), wk = 0.0043290 k( 78) = ( -0.1428571 0.0773952 0.1624751), wk = 0.0043290 k( 79) = ( -0.1285714 0.0696556 0.1462276), wk = 0.0043290 k( 80) = ( -0.1142857 0.0619161 0.1299801), wk = 0.0043290 k( 81) = ( -0.1000000 0.0541766 0.1137326), wk = 0.0043290 k( 82) = ( -0.0857143 0.0464371 0.0974851), wk = 0.0043290 k( 83) = ( -0.0714286 0.0386976 0.0812376), wk = 0.0043290 k( 84) = ( -0.0571429 0.0309581 0.0649901), wk = 0.0043290 k( 85) = ( -0.0428571 0.0232185 0.0487425), wk = 0.0043290 k( 86) = ( -0.0285714 0.0154790 0.0324950), wk = 0.0043290 k( 87) = ( -0.0142857 0.0077395 0.0162475), wk = 0.0043290 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 90) = ( 0.0110210 0.0203427 0.0000000), wk = 0.0043290 k( 91) = ( 0.0220420 0.0406854 0.0000000), wk = 0.0043290 k( 92) = ( 0.0330629 0.0610281 0.0000000), wk = 0.0043290 k( 93) = ( 0.0440839 0.0813708 0.0000000), wk = 0.0043290 k( 94) = ( 0.0551049 0.1017135 0.0000000), wk = 0.0043290 k( 95) = ( 0.0661259 0.1220561 0.0000000), wk = 0.0043290 k( 96) = ( 0.0771469 0.1423988 0.0000000), wk = 0.0043290 k( 97) = ( 0.0881678 0.1627415 0.0000000), wk = 0.0043290 k( 98) = ( 0.0991888 0.1830842 0.0000000), wk = 0.0043290 k( 99) = ( 0.1102098 0.2034269 0.0000000), wk = 0.0043290 k( 100) = ( 0.1212308 0.2237696 0.0000000), wk = 0.0043290 k( 101) = ( 0.1322518 0.2441123 0.0000000), wk = 0.0043290 k( 102) = ( 0.1432727 0.2644550 0.0000000), wk = 0.0043290 k( 103) = ( 0.1542937 0.2847977 0.0000000), wk = 0.0043290 k( 104) = ( 0.1653147 0.3051403 0.0000000), wk = 0.0043290 k( 105) = ( 0.1763357 0.3254830 0.0000000), wk = 0.0043290 k( 106) = ( 0.1873566 0.3458257 0.0000000), wk = 0.0043290 k( 107) = ( 0.1983776 0.3661684 0.0000000), wk = 0.0043290 k( 108) = ( 0.2093986 0.3865111 0.0000000), wk = 0.0043290 k( 109) = ( 0.2204196 0.4068538 0.0000000), wk = 0.0043290 k( 110) = ( 0.2314406 0.4271965 0.0000000), wk = 0.0043290 k( 111) = ( 0.2424615 0.4475392 0.0000000), wk = 0.0043290 k( 112) = ( 0.2534825 0.4678819 0.0000000), wk = 0.0043290 k( 113) = ( 0.2645035 0.4882245 0.0000000), wk = 0.0043290 k( 114) = ( 0.2755245 0.5085672 0.0000000), wk = 0.0043290 k( 115) = ( 0.2865455 0.5289099 0.0000000), wk = 0.0043290 k( 116) = ( 0.2975664 0.5492526 0.0000000), wk = 0.0043290 k( 117) = ( 0.3085874 0.5695953 0.0000000), wk = 0.0043290 k( 118) = ( 0.3196084 0.5899380 0.0000000), wk = 0.0043290 k( 119) = ( 0.3306294 0.6102807 0.0000000), wk = 0.0043290 k( 120) = ( 0.3416503 0.6306234 0.0000000), wk = 0.0043290 k( 121) = ( 0.3526713 0.6509661 0.0000000), wk = 0.0043290 k( 122) = ( 0.3636923 0.6713087 0.0000000), wk = 0.0043290 k( 123) = ( 0.3747133 0.6916514 0.0000000), wk = 0.0043290 k( 124) = ( 0.3857343 0.7119941 0.0000000), wk = 0.0043290 k( 125) = ( 0.3967553 0.7323368 0.0000000), wk = 0.0043290 k( 126) = ( 0.3967553 0.7323368 0.0000000), wk = 0.0043290 k( 127) = ( 0.3915140 0.7226624 0.0203094), wk = 0.0043290 k( 128) = ( 0.3862727 0.7129880 0.0406188), wk = 0.0043290 k( 129) = ( 0.3810315 0.7033136 0.0609282), wk = 0.0043290 k( 130) = ( 0.3757902 0.6936392 0.0812376), wk = 0.0043290 k( 131) = ( 0.3705489 0.6839648 0.1015470), wk = 0.0043290 k( 132) = ( 0.3653077 0.6742904 0.1218564), wk = 0.0043290 k( 133) = ( 0.3600664 0.6646160 0.1421658), wk = 0.0043290 k( 134) = ( 0.3548252 0.6549417 0.1624752), wk = 0.0043290 k( 135) = ( 0.3495839 0.6452673 0.1827845), wk = 0.0043290 k( 136) = ( 0.3443427 0.6355929 0.2030939), wk = 0.0043290 k( 137) = ( 0.3391014 0.6259185 0.2234033), wk = 0.0043290 k( 138) = ( 0.3338601 0.6162441 0.2437127), wk = 0.0043290 k( 139) = ( 0.3286189 0.6065697 0.2640221), wk = 0.0043290 k( 140) = ( 0.3233776 0.5968953 0.2843315), wk = 0.0043290 k( 141) = ( 0.3181364 0.5872209 0.3046409), wk = 0.0043290 k( 142) = ( 0.3128951 0.5775465 0.3249503), wk = 0.0043290 k( 143) = ( 0.3076539 0.5678721 0.3452597), wk = 0.0043290 k( 144) = ( 0.3024126 0.5581977 0.3655691), wk = 0.0043290 k( 145) = ( 0.2971713 0.5485233 0.3858785), wk = 0.0043290 k( 146) = ( 0.2919301 0.5388489 0.4061879), wk = 0.0043290 k( 147) = ( 0.2866888 0.5291745 0.4264973), wk = 0.0043290 k( 148) = ( 0.2814475 0.5195001 0.4468067), wk = 0.0043290 k( 149) = ( 0.2762063 0.5098257 0.4671160), wk = 0.0043290 k( 150) = ( 0.2709650 0.5001514 0.4874254), wk = 0.0043290 k( 151) = ( 0.2657238 0.4904770 0.5077348), wk = 0.0043290 k( 152) = ( 0.2604825 0.4808026 0.5280442), wk = 0.0043290 k( 153) = ( 0.2552413 0.4711282 0.5483536), wk = 0.0043290 k( 154) = ( 0.2500000 0.4614538 0.5686630), wk = 0.0043290 k( 155) = ( 0.2500000 0.4614538 0.5686630), wk = 0.0043290 k( 156) = ( 0.2361111 0.4689783 0.5528668), wk = 0.0043290 k( 157) = ( 0.2222222 0.4765028 0.5370706), wk = 0.0043290 k( 158) = ( 0.2083333 0.4840274 0.5212744), wk = 0.0043290 k( 159) = ( 0.1944444 0.4915519 0.5054782), wk = 0.0043290 k( 160) = ( 0.1805556 0.4990764 0.4896820), wk = 0.0043290 k( 161) = ( 0.1666667 0.5066009 0.4738858), wk = 0.0043290 k( 162) = ( 0.1527778 0.5141255 0.4580897), wk = 0.0043290 k( 163) = ( 0.1388889 0.5216500 0.4422935), wk = 0.0043290 k( 164) = ( 0.1250000 0.5291745 0.4264973), wk = 0.0043290 k( 165) = ( 0.1111111 0.5366991 0.4107011), wk = 0.0043290 k( 166) = ( 0.0972222 0.5442236 0.3949049), wk = 0.0043290 k( 167) = ( 0.0833333 0.5517481 0.3791087), wk = 0.0043290 k( 168) = ( 0.0694444 0.5592726 0.3633125), wk = 0.0043290 k( 169) = ( 0.0555556 0.5667972 0.3475163), wk = 0.0043290 k( 170) = ( 0.0416667 0.5743217 0.3317201), wk = 0.0043290 k( 171) = ( 0.0277778 0.5818462 0.3159239), wk = 0.0043290 k( 172) = ( 0.0138889 0.5893708 0.3001277), wk = 0.0043290 k( 173) = ( 0.0000000 0.5968953 0.2843315), wk = 0.0043290 k( 174) = ( 0.0000000 0.5968953 0.2843315), wk = 0.0043290 k( 175) = ( -0.0180343 0.5907388 0.2972557), wk = 0.0043290 k( 176) = ( -0.0360687 0.5845824 0.3101798), wk = 0.0043290 k( 177) = ( -0.0541030 0.5784260 0.3231040), wk = 0.0043290 k( 178) = ( -0.0721373 0.5722695 0.3360281), wk = 0.0043290 k( 179) = ( -0.0901717 0.5661131 0.3489523), wk = 0.0043290 k( 180) = ( -0.1082060 0.5599567 0.3618765), wk = 0.0043290 k( 181) = ( -0.1262403 0.5538002 0.3748006), wk = 0.0043290 k( 182) = ( -0.1442746 0.5476438 0.3877248), wk = 0.0043290 k( 183) = ( -0.1623090 0.5414874 0.4006489), wk = 0.0043290 k( 184) = ( -0.1803433 0.5353310 0.4135731), wk = 0.0043290 k( 185) = ( -0.1983776 0.5291745 0.4264973), wk = 0.0043290 k( 186) = ( -0.2164119 0.5230181 0.4394214), wk = 0.0043290 k( 187) = ( -0.2344463 0.5168617 0.4523456), wk = 0.0043290 k( 188) = ( -0.2524806 0.5107052 0.4652697), wk = 0.0043290 k( 189) = ( -0.2705149 0.5045488 0.4781939), wk = 0.0043290 k( 190) = ( -0.2885493 0.4983924 0.4911181), wk = 0.0043290 k( 191) = ( -0.3065836 0.4922359 0.5040422), wk = 0.0043290 k( 192) = ( -0.3246179 0.4860795 0.5169664), wk = 0.0043290 k( 193) = ( -0.3426523 0.4799231 0.5298905), wk = 0.0043290 k( 194) = ( -0.3606866 0.4737666 0.5428147), wk = 0.0043290 k( 195) = ( -0.3787209 0.4676102 0.5557389), wk = 0.0043290 k( 196) = ( -0.3967553 0.4614538 0.5686630), wk = 0.0043290 k( 197) = ( -0.3967553 0.4614538 0.5686630), wk = 0.0043290 k( 198) = ( -0.4070797 0.4423967 0.5686630), wk = 0.0043290 k( 199) = ( -0.4174042 0.4233396 0.5686630), wk = 0.0043290 k( 200) = ( -0.4277287 0.4042826 0.5686630), wk = 0.0043290 k( 201) = ( -0.4380532 0.3852255 0.5686630), wk = 0.0043290 k( 202) = ( -0.4483776 0.3661684 0.5686630), wk = 0.0043290 k( 203) = ( -0.4587021 0.3471113 0.5686630), wk = 0.0043290 k( 204) = ( -0.4690266 0.3280543 0.5686630), wk = 0.0043290 k( 205) = ( -0.4793511 0.3089972 0.5686630), wk = 0.0043290 k( 206) = ( -0.4896755 0.2899401 0.5686630), wk = 0.0043290 k( 207) = ( -0.5000000 0.2708830 0.5686630), wk = 0.0043290 k( 208) = ( 0.0000000 0.0000000 0.5686630), wk = 0.0043290 k( 209) = ( 0.0108696 0.0200632 0.5686630), wk = 0.0043290 k( 210) = ( 0.0217391 0.0401264 0.5686630), wk = 0.0043290 k( 211) = ( 0.0326087 0.0601896 0.5686630), wk = 0.0043290 k( 212) = ( 0.0434783 0.0802528 0.5686630), wk = 0.0043290 k( 213) = ( 0.0543478 0.1003160 0.5686630), wk = 0.0043290 k( 214) = ( 0.0652174 0.1203792 0.5686630), wk = 0.0043290 k( 215) = ( 0.0760870 0.1404425 0.5686630), wk = 0.0043290 k( 216) = ( 0.0869565 0.1605057 0.5686630), wk = 0.0043290 k( 217) = ( 0.0978261 0.1805689 0.5686630), wk = 0.0043290 k( 218) = ( 0.1086957 0.2006321 0.5686630), wk = 0.0043290 k( 219) = ( 0.1195652 0.2206953 0.5686630), wk = 0.0043290 k( 220) = ( 0.1304348 0.2407585 0.5686630), wk = 0.0043290 k( 221) = ( 0.1413043 0.2608217 0.5686630), wk = 0.0043290 k( 222) = ( 0.1521739 0.2808849 0.5686630), wk = 0.0043290 k( 223) = ( 0.1630435 0.3009481 0.5686630), wk = 0.0043290 k( 224) = ( 0.1739130 0.3210113 0.5686630), wk = 0.0043290 k( 225) = ( 0.1847826 0.3410745 0.5686630), wk = 0.0043290 k( 226) = ( 0.1956522 0.3611377 0.5686630), wk = 0.0043290 k( 227) = ( 0.2065217 0.3812009 0.5686630), wk = 0.0043290 k( 228) = ( 0.2173913 0.4012641 0.5686630), wk = 0.0043290 k( 229) = ( 0.2282609 0.4213274 0.5686630), wk = 0.0043290 k( 230) = ( 0.2391304 0.4413905 0.5686630), wk = 0.0043290 k( 231) = ( 0.2500000 0.4614538 0.5686630), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0043290 k( 8) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0043290 k( 9) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0043290 k( 10) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0043290 k( 11) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0043290 k( 13) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0043290 k( 14) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0043290 k( 15) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0043290 k( 16) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0043290 k( 18) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0043290 k( 19) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0043290 k( 20) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0043290 k( 21) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0043290 k( 23) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0043290 k( 24) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0043290 k( 25) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0043290 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043290 k( 28) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0043290 k( 29) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0043290 k( 30) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0043290 k( 31) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0043290 k( 32) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0043290 k( 33) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0043290 k( 34) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0043290 k( 35) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0043290 k( 36) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0043290 k( 37) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0043290 k( 38) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0043290 k( 39) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0043290 k( 40) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0043290 k( 41) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0043290 k( 42) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0043290 k( 43) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0043290 k( 44) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0043290 k( 45) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0043290 k( 46) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0043290 k( 47) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0043290 k( 48) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0043290 k( 49) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0043290 k( 50) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0043290 k( 51) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0043290 k( 52) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 53) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 54) = ( -0.4857143 0.4857143 0.4857143), wk = 0.0043290 k( 55) = ( -0.4714286 0.4714286 0.4714286), wk = 0.0043290 k( 56) = ( -0.4571429 0.4571429 0.4571429), wk = 0.0043290 k( 57) = ( -0.4428571 0.4428571 0.4428571), wk = 0.0043290 k( 58) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0043290 k( 59) = ( -0.4142857 0.4142857 0.4142857), wk = 0.0043290 k( 60) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0043290 k( 61) = ( -0.3857143 0.3857143 0.3857143), wk = 0.0043290 k( 62) = ( -0.3714286 0.3714286 0.3714286), wk = 0.0043290 k( 63) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0043290 k( 64) = ( -0.3428571 0.3428571 0.3428571), wk = 0.0043290 k( 65) = ( -0.3285714 0.3285714 0.3285714), wk = 0.0043290 k( 66) = ( -0.3142857 0.3142857 0.3142857), wk = 0.0043290 k( 67) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0043290 k( 68) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0043290 k( 69) = ( -0.2714286 0.2714286 0.2714286), wk = 0.0043290 k( 70) = ( -0.2571429 0.2571429 0.2571429), wk = 0.0043290 k( 71) = ( -0.2428571 0.2428571 0.2428571), wk = 0.0043290 k( 72) = ( -0.2285714 0.2285714 0.2285714), wk = 0.0043290 k( 73) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0043290 k( 74) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0043290 k( 75) = ( -0.1857143 0.1857143 0.1857143), wk = 0.0043290 k( 76) = ( -0.1714286 0.1714286 0.1714286), wk = 0.0043290 k( 77) = ( -0.1571429 0.1571429 0.1571429), wk = 0.0043290 k( 78) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0043290 k( 79) = ( -0.1285714 0.1285714 0.1285714), wk = 0.0043290 k( 80) = ( -0.1142857 0.1142857 0.1142857), wk = 0.0043290 k( 81) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0043290 k( 82) = ( -0.0857143 0.0857143 0.0857143), wk = 0.0043290 k( 83) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0043290 k( 84) = ( -0.0571429 0.0571429 0.0571429), wk = 0.0043290 k( 85) = ( -0.0428571 0.0428571 0.0428571), wk = 0.0043290 k( 86) = ( -0.0285714 0.0285714 0.0285714), wk = 0.0043290 k( 87) = ( -0.0142857 0.0142857 0.0142857), wk = 0.0043290 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 90) = ( 0.0110210 0.0110210 -0.0110210), wk = 0.0043290 k( 91) = ( 0.0220420 0.0220420 -0.0220420), wk = 0.0043290 k( 92) = ( 0.0330629 0.0330629 -0.0330629), wk = 0.0043290 k( 93) = ( 0.0440839 0.0440839 -0.0440839), wk = 0.0043290 k( 94) = ( 0.0551049 0.0551049 -0.0551049), wk = 0.0043290 k( 95) = ( 0.0661259 0.0661259 -0.0661259), wk = 0.0043290 k( 96) = ( 0.0771469 0.0771469 -0.0771469), wk = 0.0043290 k( 97) = ( 0.0881678 0.0881678 -0.0881678), wk = 0.0043290 k( 98) = ( 0.0991888 0.0991888 -0.0991888), wk = 0.0043290 k( 99) = ( 0.1102098 0.1102098 -0.1102098), wk = 0.0043290 k( 100) = ( 0.1212308 0.1212308 -0.1212308), wk = 0.0043290 k( 101) = ( 0.1322518 0.1322517 -0.1322518), wk = 0.0043290 k( 102) = ( 0.1432727 0.1432727 -0.1432727), wk = 0.0043290 k( 103) = ( 0.1542937 0.1542937 -0.1542937), wk = 0.0043290 k( 104) = ( 0.1653147 0.1653147 -0.1653147), wk = 0.0043290 k( 105) = ( 0.1763357 0.1763357 -0.1763357), wk = 0.0043290 k( 106) = ( 0.1873566 0.1873566 -0.1873566), wk = 0.0043290 k( 107) = ( 0.1983776 0.1983776 -0.1983776), wk = 0.0043290 k( 108) = ( 0.2093986 0.2093986 -0.2093986), wk = 0.0043290 k( 109) = ( 0.2204196 0.2204196 -0.2204196), wk = 0.0043290 k( 110) = ( 0.2314406 0.2314406 -0.2314406), wk = 0.0043290 k( 111) = ( 0.2424615 0.2424615 -0.2424615), wk = 0.0043290 k( 112) = ( 0.2534825 0.2534825 -0.2534825), wk = 0.0043290 k( 113) = ( 0.2645035 0.2645035 -0.2645035), wk = 0.0043290 k( 114) = ( 0.2755245 0.2755245 -0.2755245), wk = 0.0043290 k( 115) = ( 0.2865455 0.2865455 -0.2865455), wk = 0.0043290 k( 116) = ( 0.2975664 0.2975664 -0.2975664), wk = 0.0043290 k( 117) = ( 0.3085874 0.3085874 -0.3085874), wk = 0.0043290 k( 118) = ( 0.3196084 0.3196084 -0.3196084), wk = 0.0043290 k( 119) = ( 0.3306294 0.3306294 -0.3306294), wk = 0.0043290 k( 120) = ( 0.3416503 0.3416503 -0.3416503), wk = 0.0043290 k( 121) = ( 0.3526713 0.3526713 -0.3526713), wk = 0.0043290 k( 122) = ( 0.3636923 0.3636923 -0.3636923), wk = 0.0043290 k( 123) = ( 0.3747133 0.3747133 -0.3747133), wk = 0.0043290 k( 124) = ( 0.3857343 0.3857343 -0.3857343), wk = 0.0043290 k( 125) = ( 0.3967553 0.3967552 -0.3967553), wk = 0.0043290 k( 126) = ( 0.3967553 0.3967552 -0.3967553), wk = 0.0043290 k( 127) = ( 0.3915140 0.3915140 -0.3736568), wk = 0.0043290 k( 128) = ( 0.3862727 0.3862727 -0.3505584), wk = 0.0043290 k( 129) = ( 0.3810315 0.3810315 -0.3274600), wk = 0.0043290 k( 130) = ( 0.3757902 0.3757902 -0.3043616), wk = 0.0043290 k( 131) = ( 0.3705489 0.3705489 -0.2812632), wk = 0.0043290 k( 132) = ( 0.3653077 0.3653077 -0.2581648), wk = 0.0043290 k( 133) = ( 0.3600664 0.3600664 -0.2350664), wk = 0.0043290 k( 134) = ( 0.3548252 0.3548252 -0.2119680), wk = 0.0043290 k( 135) = ( 0.3495839 0.3495839 -0.1888696), wk = 0.0043290 k( 136) = ( 0.3443427 0.3443427 -0.1657712), wk = 0.0043290 k( 137) = ( 0.3391014 0.3391014 -0.1426728), wk = 0.0043290 k( 138) = ( 0.3338601 0.3338601 -0.1195744), wk = 0.0043290 k( 139) = ( 0.3286189 0.3286189 -0.0964760), wk = 0.0043290 k( 140) = ( 0.3233776 0.3233776 -0.0733776), wk = 0.0043290 k( 141) = ( 0.3181364 0.3181364 -0.0502792), wk = 0.0043290 k( 142) = ( 0.3128951 0.3128951 -0.0271808), wk = 0.0043290 k( 143) = ( 0.3076539 0.3076538 -0.0040824), wk = 0.0043290 k( 144) = ( 0.3024126 0.3024126 0.0190160), wk = 0.0043290 k( 145) = ( 0.2971713 0.2971713 0.0421144), wk = 0.0043290 k( 146) = ( 0.2919301 0.2919301 0.0652128), wk = 0.0043290 k( 147) = ( 0.2866888 0.2866888 0.0883112), wk = 0.0043290 k( 148) = ( 0.2814475 0.2814476 0.1114096), wk = 0.0043290 k( 149) = ( 0.2762063 0.2762063 0.1345080), wk = 0.0043290 k( 150) = ( 0.2709650 0.2709650 0.1576064), wk = 0.0043290 k( 151) = ( 0.2657238 0.2657238 0.1807048), wk = 0.0043290 k( 152) = ( 0.2604825 0.2604825 0.2038032), wk = 0.0043290 k( 153) = ( 0.2552413 0.2552413 0.2269016), wk = 0.0043290 k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0043290 k( 155) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0043290 k( 156) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0043290 k( 157) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0043290 k( 158) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0043290 k( 159) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0043290 k( 160) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0043290 k( 161) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0043290 k( 162) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0043290 k( 163) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0043290 k( 164) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0043290 k( 165) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0043290 k( 166) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0043290 k( 167) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0043290 k( 168) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0043290 k( 169) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0043290 k( 170) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0043290 k( 171) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0043290 k( 172) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0043290 k( 173) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 174) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 175) = ( -0.0180343 0.5046929 0.0180343), wk = 0.0043290 k( 176) = ( -0.0360687 0.5093859 0.0360687), wk = 0.0043290 k( 177) = ( -0.0541030 0.5140788 0.0541030), wk = 0.0043290 k( 178) = ( -0.0721373 0.5187718 0.0721373), wk = 0.0043290 k( 179) = ( -0.0901717 0.5234647 0.0901717), wk = 0.0043290 k( 180) = ( -0.1082060 0.5281577 0.1082060), wk = 0.0043290 k( 181) = ( -0.1262403 0.5328506 0.1262403), wk = 0.0043290 k( 182) = ( -0.1442746 0.5375435 0.1442746), wk = 0.0043290 k( 183) = ( -0.1623090 0.5422365 0.1623090), wk = 0.0043290 k( 184) = ( -0.1803433 0.5469294 0.1803433), wk = 0.0043290 k( 185) = ( -0.1983776 0.5516224 0.1983776), wk = 0.0043290 k( 186) = ( -0.2164119 0.5563153 0.2164120), wk = 0.0043290 k( 187) = ( -0.2344463 0.5610083 0.2344463), wk = 0.0043290 k( 188) = ( -0.2524806 0.5657012 0.2524806), wk = 0.0043290 k( 189) = ( -0.2705149 0.5703942 0.2705149), wk = 0.0043290 k( 190) = ( -0.2885493 0.5750871 0.2885493), wk = 0.0043290 k( 191) = ( -0.3065836 0.5797800 0.3065836), wk = 0.0043290 k( 192) = ( -0.3246179 0.5844730 0.3246179), wk = 0.0043290 k( 193) = ( -0.3426523 0.5891659 0.3426523), wk = 0.0043290 k( 194) = ( -0.3606866 0.5938589 0.3606866), wk = 0.0043290 k( 195) = ( -0.3787209 0.5985518 0.3787209), wk = 0.0043290 k( 196) = ( -0.3967553 0.6032447 0.3967553), wk = 0.0043290 k( 197) = ( -0.3967553 0.6032447 0.3967553), wk = 0.0043290 k( 198) = ( -0.4070797 0.5929203 0.4070797), wk = 0.0043290 k( 199) = ( -0.4174042 0.5825958 0.4174042), wk = 0.0043290 k( 200) = ( -0.4277287 0.5722713 0.4277287), wk = 0.0043290 k( 201) = ( -0.4380532 0.5619468 0.4380532), wk = 0.0043290 k( 202) = ( -0.4483776 0.5516224 0.4483776), wk = 0.0043290 k( 203) = ( -0.4587021 0.5412979 0.4587021), wk = 0.0043290 k( 204) = ( -0.4690266 0.5309734 0.4690266), wk = 0.0043290 k( 205) = ( -0.4793511 0.5206489 0.4793511), wk = 0.0043290 k( 206) = ( -0.4896755 0.5103245 0.4896755), wk = 0.0043290 k( 207) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043290 k( 209) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0043290 k( 210) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0043290 k( 211) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0043290 k( 212) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0043290 k( 213) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0043290 k( 214) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0043290 k( 215) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0043290 k( 216) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0043290 k( 217) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0043290 k( 218) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0043290 k( 219) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0043290 k( 220) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0043290 k( 221) = ( 0.1413043 0.1413043 0.3586957), wk = 0.0043290 k( 222) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0043290 k( 223) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0043290 k( 224) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0043290 k( 225) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0043290 k( 226) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0043290 k( 227) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0043290 k( 228) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0043290 k( 229) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0043290 k( 230) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0043290 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0043290 Dense grid: 113283 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 84317 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 300, 68) NL pseudopotentials 0.74 Mb ( 150, 322) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1573) G-vector shells 0.01 Mb ( 770) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 300, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.67 Mb ( 322, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Si5xH2Clx4.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.3 secs Computing kpt #: 8 total cpu time spent up to now is 14.9 secs Computing kpt #: 9 total cpu time spent up to now is 16.4 secs Computing kpt #: 10 total cpu time spent up to now is 18.0 secs Computing kpt #: 11 total cpu time spent up to now is 19.6 secs Computing kpt #: 12 total cpu time spent up to now is 21.2 secs Computing kpt #: 13 total cpu time spent up to now is 22.7 secs Computing kpt #: 14 total cpu time spent up to now is 24.3 secs Computing kpt #: 15 total cpu time spent up to now is 25.9 secs Computing kpt #: 16 total cpu time spent up to now is 27.5 secs Computing kpt #: 17 total cpu time spent up to now is 29.1 secs Computing kpt #: 18 total cpu time spent up to now is 30.9 secs Computing kpt #: 19 total cpu time spent up to now is 32.5 secs Computing kpt #: 20 total cpu time spent up to now is 34.3 secs Computing kpt #: 21 total cpu time spent up to now is 36.5 secs Computing kpt #: 22 total cpu time spent up to now is 38.3 secs Computing kpt #: 23 total cpu time spent up to now is 40.2 secs Computing kpt #: 24 total cpu time spent up to now is 42.1 secs Computing kpt #: 25 total cpu time spent up to now is 44.5 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.1 secs Computing kpt #: 27 total cpu time spent up to now is 51.6 secs Computing kpt #: 28 total cpu time spent up to now is 54.7 secs Computing kpt #: 29 total cpu time spent up to now is 57.1 secs Computing kpt #: 30 total cpu time spent up to now is 59.3 secs Computing kpt #: 31 total cpu time spent up to now is 61.4 secs Computing kpt #: 32 total cpu time spent up to now is 63.3 secs Computing kpt #: 33 total cpu time spent up to now is 65.2 secs Computing kpt #: 34 total cpu time spent up to now is 67.2 secs Computing kpt #: 35 total cpu time spent up to now is 69.1 secs Computing kpt #: 36 total cpu time spent up to now is 70.9 secs Computing kpt #: 37 total cpu time spent up to now is 72.6 secs Computing kpt #: 38 total cpu time spent up to now is 74.2 secs Computing kpt #: 39 total cpu time spent up to now is 75.7 secs Computing kpt #: 40 total cpu time spent up to now is 77.1 secs Computing kpt #: 41 total cpu time spent up to now is 78.5 secs Computing kpt #: 42 total cpu time spent up to now is 80.0 secs Computing kpt #: 43 total cpu time spent up to now is 81.4 secs Computing kpt #: 44 total cpu time spent up to now is 82.9 secs Computing kpt #: 45 total cpu time spent up to now is 84.3 secs Computing kpt #: 46 total cpu time spent up to now is 85.8 secs Computing kpt #: 47 total cpu time spent up to now is 87.3 secs Computing kpt #: 48 total cpu time spent up to now is 88.8 secs Computing kpt #: 49 total cpu time spent up to now is 90.2 secs Computing kpt #: 50 total cpu time spent up to now is 91.7 secs Computing kpt #: 51 total cpu time spent up to now is 93.1 secs Computing kpt #: 52 total cpu time spent up to now is 94.5 secs Computing kpt #: 53 total cpu time spent up to now is 95.9 secs Computing kpt #: 54 total cpu time spent up to now is 97.4 secs Computing kpt #: 55 total cpu time spent up to now is 98.9 secs Computing kpt #: 56 total cpu time spent up to now is 100.4 secs Computing kpt #: 57 total cpu time spent up to now is 102.2 secs Computing kpt #: 58 total cpu time spent up to now is 103.7 secs Computing kpt #: 59 total cpu time spent up to now is 105.2 secs Computing kpt #: 60 total cpu time spent up to now is 106.7 secs Computing kpt #: 61 total cpu time spent up to now is 108.1 secs Computing kpt #: 62 total cpu time spent up to now is 109.5 secs Computing kpt #: 63 total cpu time spent up to now is 110.9 secs Computing kpt #: 64 total cpu time spent up to now is 112.3 secs Computing kpt #: 65 total cpu time spent up to now is 113.8 secs Computing kpt #: 66 total cpu time spent up to now is 115.3 secs Computing kpt #: 67 total cpu time spent up to now is 117.0 secs Computing kpt #: 68 total cpu time spent up to now is 118.7 secs Computing kpt #: 69 total cpu time spent up to now is 120.6 secs Computing kpt #: 70 total cpu time spent up to now is 122.2 secs Computing kpt #: 71 total cpu time spent up to now is 123.8 secs Computing kpt #: 72 total cpu time spent up to now is 125.7 secs Computing kpt #: 73 total cpu time spent up to now is 127.3 secs Computing kpt #: 74 total cpu time spent up to now is 129.1 secs Computing kpt #: 75 total cpu time spent up to now is 130.8 secs Computing kpt #: 76 total cpu time spent up to now is 132.5 secs Computing kpt #: 77 total cpu time spent up to now is 134.0 secs Computing kpt #: 78 total cpu time spent up to now is 135.5 secs Computing kpt #: 79 total cpu time spent up to now is 137.1 secs Computing kpt #: 80 total cpu time spent up to now is 138.7 secs Computing kpt #: 81 total cpu time spent up to now is 140.1 secs Computing kpt #: 82 total cpu time spent up to now is 141.7 secs Computing kpt #: 83 total cpu time spent up to now is 143.2 secs Computing kpt #: 84 total cpu time spent up to now is 144.7 secs Computing kpt #: 85 total cpu time spent up to now is 146.2 secs Computing kpt #: 86 total cpu time spent up to now is 147.6 secs Computing kpt #: 87 total cpu time spent up to now is 149.1 secs Computing kpt #: 88 total cpu time spent up to now is 150.5 secs Computing kpt #: 89 total cpu time spent up to now is 151.9 secs Computing kpt #: 90 total cpu time spent up to now is 153.3 secs Computing kpt #: 91 total cpu time spent up to now is 154.7 secs Computing kpt #: 92 total cpu time spent up to now is 156.1 secs Computing kpt #: 93 total cpu time spent up to now is 157.5 secs Computing kpt #: 94 total cpu time spent up to now is 159.0 secs Computing kpt #: 95 total cpu time spent up to now is 160.5 secs Computing kpt #: 96 total cpu time spent up to now is 162.0 secs Computing kpt #: 97 total cpu time spent up to now is 163.6 secs Computing kpt #: 98 total cpu time spent up to now is 165.2 secs Computing kpt #: 99 total cpu time spent up to now is 166.8 secs Computing kpt #: 100 total cpu time spent up to now is 168.4 secs Computing kpt #: 101 total cpu time spent up to now is 170.0 secs Computing kpt #: 102 total cpu time spent up to now is 171.6 secs Computing kpt #: 103 total cpu time spent up to now is 173.2 secs Computing kpt #: 104 total cpu time spent up to now is 174.7 secs Computing kpt #: 105 total cpu time spent up to now is 176.3 secs Computing kpt #: 106 total cpu time spent up to now is 177.9 secs Computing kpt #: 107 total cpu time spent up to now is 179.5 secs Computing kpt #: 108 total cpu time spent up to now is 181.1 secs Computing kpt #: 109 total cpu time spent up to now is 182.7 secs Computing kpt #: 110 total cpu time spent up to now is 184.4 secs Computing kpt #: 111 total cpu time spent up to now is 186.0 secs Computing kpt #: 112 total cpu time spent up to now is 187.7 secs Computing kpt #: 113 total cpu time spent up to now is 189.3 secs Computing kpt #: 114 total cpu time spent up to now is 191.1 secs Computing kpt #: 115 total cpu time spent up to now is 192.8 secs Computing kpt #: 116 total cpu time spent up to now is 194.5 secs Computing kpt #: 117 total cpu time spent up to now is 196.4 secs Computing kpt #: 118 total cpu time spent up to now is 198.4 secs Computing kpt #: 119 total cpu time spent up to now is 200.3 secs Computing kpt #: 120 total cpu time spent up to now is 202.3 secs Computing kpt #: 121 total cpu time spent up to now is 204.2 secs Computing kpt #: 122 total cpu time spent up to now is 205.8 secs Computing kpt #: 123 total cpu time spent up to now is 207.3 secs Computing kpt #: 124 total cpu time spent up to now is 208.7 secs Computing kpt #: 125 total cpu time spent up to now is 210.2 secs Computing kpt #: 126 total cpu time spent up to now is 211.6 secs Computing kpt #: 127 total cpu time spent up to now is 213.0 secs Computing kpt #: 128 total cpu time spent up to now is 214.5 secs Computing kpt #: 129 total cpu time spent up to now is 216.1 secs Computing kpt #: 130 total cpu time spent up to now is 217.8 secs Computing kpt #: 131 total cpu time spent up to now is 219.5 secs Computing kpt #: 132 total cpu time spent up to now is 221.0 secs Computing kpt #: 133 total cpu time spent up to now is 222.9 secs Computing kpt #: 134 total cpu time spent up to now is 224.8 secs Computing kpt #: 135 total cpu time spent up to now is 226.7 secs Computing kpt #: 136 total cpu time spent up to now is 228.5 secs Computing kpt #: 137 total cpu time spent up to now is 230.2 secs Computing kpt #: 138 total cpu time spent up to now is 232.0 secs Computing kpt #: 139 total cpu time spent up to now is 233.6 secs Computing kpt #: 140 total cpu time spent up to now is 235.3 secs Computing kpt #: 141 total cpu time spent up to now is 236.9 secs Computing kpt #: 142 total cpu time spent up to now is 238.6 secs Computing kpt #: 143 total cpu time spent up to now is 240.2 secs Computing kpt #: 144 total cpu time spent up to now is 241.7 secs Computing kpt #: 145 total cpu time spent up to now is 243.3 secs Computing kpt #: 146 total cpu time spent up to now is 244.8 secs Computing kpt #: 147 total cpu time spent up to now is 246.4 secs Computing kpt #: 148 total cpu time spent up to now is 248.0 secs Computing kpt #: 149 total cpu time spent up to now is 249.7 secs Computing kpt #: 150 total cpu time spent up to now is 251.2 secs Computing kpt #: 151 total cpu time spent up to now is 252.9 secs Computing kpt #: 152 total cpu time spent up to now is 254.7 secs Computing kpt #: 153 total cpu time spent up to now is 256.4 secs Computing kpt #: 154 total cpu time spent up to now is 257.8 secs Computing kpt #: 155 total cpu time spent up to now is 259.4 secs Computing kpt #: 156 total cpu time spent up to now is 260.9 secs Computing kpt #: 157 total cpu time spent up to now is 262.6 secs Computing kpt #: 158 total cpu time spent up to now is 264.1 secs Computing kpt #: 159 total cpu time spent up to now is 265.8 secs Computing kpt #: 160 total cpu time spent up to now is 267.3 secs Computing kpt #: 161 total cpu time spent up to now is 268.9 secs Computing kpt #: 162 total cpu time spent up to now is 270.5 secs Computing kpt #: 163 total cpu time spent up to now is 272.2 secs Computing kpt #: 164 total cpu time spent up to now is 273.9 secs Computing kpt #: 165 total cpu time spent up to now is 275.5 secs Computing kpt #: 166 total cpu time spent up to now is 277.2 secs Computing kpt #: 167 total cpu time spent up to now is 278.9 secs Computing kpt #: 168 total cpu time spent up to now is 280.5 secs Computing kpt #: 169 total cpu time spent up to now is 282.2 secs Computing kpt #: 170 total cpu time spent up to now is 283.9 secs Computing kpt #: 171 total cpu time spent up to now is 285.5 secs Computing kpt #: 172 total cpu time spent up to now is 287.2 secs Computing kpt #: 173 total cpu time spent up to now is 288.8 secs Computing kpt #: 174 total cpu time spent up to now is 290.5 secs Computing kpt #: 175 total cpu time spent up to now is 292.2 secs Computing kpt #: 176 total cpu time spent up to now is 293.8 secs Computing kpt #: 177 total cpu time spent up to now is 295.5 secs Computing kpt #: 178 total cpu time spent up to now is 297.1 secs Computing kpt #: 179 total cpu time spent up to now is 298.8 secs Computing kpt #: 180 total cpu time spent up to now is 300.5 secs Computing kpt #: 181 total cpu time spent up to now is 302.2 secs Computing kpt #: 182 total cpu time spent up to now is 303.9 secs Computing kpt #: 183 total cpu time spent up to now is 305.7 secs Computing kpt #: 184 total cpu time spent up to now is 307.4 secs Computing kpt #: 185 total cpu time spent up to now is 309.2 secs Computing kpt #: 186 total cpu time spent up to now is 311.1 secs Computing kpt #: 187 total cpu time spent up to now is 313.0 secs Computing kpt #: 188 total cpu time spent up to now is 315.0 secs Computing kpt #: 189 total cpu time spent up to now is 316.9 secs Computing kpt #: 190 total cpu time spent up to now is 319.5 secs Computing kpt #: 191 total cpu time spent up to now is 321.1 secs Computing kpt #: 192 total cpu time spent up to now is 322.6 secs Computing kpt #: 193 total cpu time spent up to now is 324.2 secs Computing kpt #: 194 total cpu time spent up to now is 325.7 secs Computing kpt #: 195 total cpu time spent up to now is 327.2 secs Computing kpt #: 196 total cpu time spent up to now is 328.7 secs Computing kpt #: 197 total cpu time spent up to now is 330.1 secs Computing kpt #: 198 total cpu time spent up to now is 331.5 secs Computing kpt #: 199 total cpu time spent up to now is 333.0 secs Computing kpt #: 200 total cpu time spent up to now is 334.6 secs Computing kpt #: 201 total cpu time spent up to now is 336.3 secs Computing kpt #: 202 total cpu time spent up to now is 337.7 secs Computing kpt #: 203 total cpu time spent up to now is 339.2 secs Computing kpt #: 204 total cpu time spent up to now is 340.6 secs Computing kpt #: 205 total cpu time spent up to now is 342.1 secs Computing kpt #: 206 total cpu time spent up to now is 343.5 secs Computing kpt #: 207 total cpu time spent up to now is 345.0 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.7 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.3 secs Computing kpt #: 210 total cpu time spent up to now is 355.5 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.1 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.8 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.4 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.1 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.7 secs Computing kpt #: 216 total cpu time spent up to now is 376.8 secs Computing kpt #: 217 total cpu time spent up to now is 379.1 secs Computing kpt #: 218 total cpu time spent up to now is 381.2 secs Computing kpt #: 219 total cpu time spent up to now is 383.3 secs Computing kpt #: 220 total cpu time spent up to now is 385.3 secs Computing kpt #: 221 total cpu time spent up to now is 387.3 secs Computing kpt #: 222 total cpu time spent up to now is 389.7 secs Computing kpt #: 223 total cpu time spent up to now is 391.7 secs Computing kpt #: 224 total cpu time spent up to now is 393.6 secs Computing kpt #: 225 total cpu time spent up to now is 395.3 secs Computing kpt #: 226 total cpu time spent up to now is 397.1 secs Computing kpt #: 227 total cpu time spent up to now is 398.5 secs Computing kpt #: 228 total cpu time spent up to now is 400.4 secs Computing kpt #: 229 total cpu time spent up to now is 402.3 secs Computing kpt #: 230 total cpu time spent up to now is 404.0 secs Computing kpt #: 231 total cpu time spent up to now is 405.4 secs ethr = 1.79E-08, avg # of iterations = 37.0 total cpu time spent up to now is 405.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10519 PWs) bands (ev): -14.0871 -14.0871 -13.8912 -13.8912 -13.8170 -13.8170 -13.8169 -13.8169 -7.8454 -7.8454 -6.7949 -6.7949 -6.7922 -6.7922 -6.5548 -6.5548 -4.7899 -4.7899 -3.1359 -3.1359 -3.1328 -3.1328 -3.1069 -3.1069 -2.9067 -2.9067 -2.8497 -2.8497 -2.8321 -2.8321 -2.7930 -2.7930 -2.5541 -2.5541 -1.8155 -1.8155 -1.7810 -1.7810 -1.3116 -1.3116 -1.2513 -1.2513 -0.9522 -0.9522 -0.6541 -0.6541 -0.6533 -0.6533 -0.6180 -0.6180 0.0401 0.0401 0.3414 0.3414 0.3578 0.3578 4.8396 4.8396 4.8841 4.8841 4.8987 4.8987 5.6469 5.6469 6.1370 6.1370 6.3586 6.3586 k = 0.0000 0.0000 0.0227 ( 10541 PWs) bands (ev): -14.0869 -14.0869 -13.8914 -13.8914 -13.8170 -13.8170 -13.8169 -13.8169 -7.8459 -7.8459 -6.7947 -6.7947 -6.7921 -6.7920 -6.5546 -6.5546 -4.7894 -4.7892 -3.1455 -3.1383 -3.1314 -3.1307 -3.1130 -3.1005 -2.9193 -2.9060 -2.8545 -2.8470 -2.8310 -2.8290 -2.7847 -2.7831 -2.5547 -2.5538 -1.8158 -1.8146 -1.7810 -1.7807 -1.3122 -1.3111 -1.2515 -1.2502 -0.9519 -0.9518 -0.6565 -0.6550 -0.6522 -0.6515 -0.6195 -0.6166 0.0393 0.0398 0.3400 0.3403 0.3567 0.3569 4.8225 4.8253 4.8892 4.8912 4.9077 4.9090 5.6496 5.6501 6.1363 6.1368 6.3582 6.3582 k = 0.0000 0.0000 0.0455 ( 10547 PWs) bands (ev): -14.0864 -14.0864 -13.8922 -13.8922 -13.8170 -13.8170 -13.8166 -13.8166 -7.8474 -7.8473 -6.7943 -6.7943 -6.7913 -6.7912 -6.5542 -6.5540 -4.7874 -4.7871 -3.1591 -3.1488 -3.1331 -3.1300 -3.1154 -3.0963 -2.9364 -2.9172 -2.8595 -2.8535 -2.8223 -2.8144 -2.7648 -2.7623 -2.5553 -2.5534 -1.8160 -1.8134 -1.7805 -1.7798 -1.3129 -1.3106 -1.2507 -1.2480 -0.9510 -0.9508 -0.6595 -0.6566 -0.6516 -0.6491 -0.6214 -0.6155 0.0376 0.0387 0.3347 0.3349 0.3552 0.3554 4.7929 4.7960 4.8966 4.8978 4.9297 4.9325 5.6580 5.6590 6.1348 6.1359 6.3569 6.3571 k = 0.0000 0.0000 0.0682 ( 10547 PWs) bands (ev): -14.0855 -14.0855 -13.8935 -13.8935 -13.8171 -13.8171 -13.8162 -13.8162 -7.8498 -7.8498 -6.7940 -6.7939 -6.7898 -6.7896 -6.5534 -6.5532 -4.7842 -4.7837 -3.1758 -3.1648 -3.1376 -3.1306 -3.1168 -3.0949 -2.9535 -2.9325 -2.8653 -2.8603 -2.8065 -2.7963 -2.7402 -2.7369 -2.5554 -2.5524 -1.8164 -1.8122 -1.7790 -1.7778 -1.3136 -1.3101 -1.2490 -1.2450 -0.9494 -0.9491 -0.6632 -0.6581 -0.6516 -0.6464 -0.6234 -0.6146 0.0350 0.0366 0.3231 0.3239 0.3548 0.3558 4.7598 4.7628 4.9058 4.9067 4.9537 4.9572 5.6720 5.6736 6.1325 6.1341 6.3551 6.3552 k = 0.0000 0.0000 0.0910 ( 10527 PWs) bands (ev): -14.0842 -14.0842 -13.8952 -13.8952 -13.8173 -13.8173 -13.8156 -13.8156 -7.8532 -7.8531 -6.7938 -6.7937 -6.7874 -6.7872 -6.5523 -6.5520 -4.7798 -4.7791 -3.1948 -3.1842 -3.1443 -3.1344 -3.1184 -3.0956 -2.9688 -2.9474 -2.8698 -2.8655 -2.7887 -2.7776 -2.7137 -2.7100 -2.5541 -2.5500 -1.8176 -1.8118 -1.7759 -1.7741 -1.3146 -1.3098 -1.2464 -1.2410 -0.9472 -0.9468 -0.6677 -0.6595 -0.6524 -0.6435 -0.6255 -0.6138 0.0315 0.0337 0.3056 0.3071 0.3561 0.3577 4.7251 4.7279 4.9179 4.9187 4.9765 4.9803 5.6913 5.6934 6.1294 6.1315 6.3526 6.3529 k = 0.0000 0.0000 0.1137 ( 10515 PWs) bands (ev): -14.0826 -14.0826 -13.8973 -13.8973 -13.8174 -13.8174 -13.8149 -13.8149 -7.8574 -7.8572 -6.7936 -6.7936 -6.7842 -6.7840 -6.5509 -6.5506 -4.7741 -4.7733 -3.2155 -3.2055 -3.1539 -3.1430 -3.1186 -3.0968 -2.9819 -2.9606 -2.8727 -2.8689 -2.7714 -2.7598 -2.6868 -2.6832 -2.5501 -2.5449 -1.8198 -1.8126 -1.7708 -1.7685 -1.3158 -1.3098 -1.2430 -1.2364 -0.9444 -0.9440 -0.6728 -0.6611 -0.6537 -0.6408 -0.6274 -0.6130 0.0272 0.0301 0.2831 0.2852 0.3584 0.3606 4.6894 4.6921 4.9330 4.9339 4.9969 5.0009 5.7154 5.7182 6.1255 6.1281 6.3499 6.3502 k = 0.0000 0.0000 0.1365 ( 10523 PWs) bands (ev): -14.0807 -14.0807 -13.8999 -13.8999 -13.8176 -13.8176 -13.8141 -13.8141 -7.8623 -7.8622 -6.7935 -6.7934 -6.7804 -6.7801 -6.5494 -6.5490 -4.7674 -4.7664 -3.2374 -3.2280 -3.1667 -3.1562 -3.1172 -3.0974 -2.9929 -2.9718 -2.8745 -2.8710 -2.7562 -2.7444 -2.6603 -2.6576 -2.5421 -2.5355 -1.8228 -1.8145 -1.7636 -1.7610 -1.3175 -1.3101 -1.2389 -1.2311 -0.9410 -0.9405 -0.6786 -0.6633 -0.6552 -0.6389 -0.6283 -0.6121 0.0223 0.0257 0.2565 0.2591 0.3615 0.3640 4.6530 4.6555 4.9509 4.9520 5.0146 5.0188 5.7438 5.7472 6.1209 6.1240 6.3471 6.3475 k = 0.0000 0.0000 0.1592 ( 10527 PWs) bands (ev): -14.0784 -14.0784 -13.9029 -13.9029 -13.8178 -13.8178 -13.8133 -13.8133 -7.8679 -7.8677 -6.7934 -6.7933 -6.7760 -6.7757 -6.5476 -6.5472 -4.7598 -4.7587 -3.2599 -3.2511 -3.1822 -3.1723 -3.1148 -3.0966 -3.0022 -2.9812 -2.8757 -2.8726 -2.7444 -2.7327 -2.6346 -2.6332 -2.5289 -2.5209 -1.8263 -1.8170 -1.7547 -1.7521 -1.3198 -1.3111 -1.2343 -1.2253 -0.9371 -0.9364 -0.6850 -0.6666 -0.6567 -0.6390 -0.6271 -0.6110 0.0166 0.0207 0.2262 0.2294 0.3649 0.3679 4.6163 4.6187 4.9714 4.9728 5.0294 5.0337 5.7755 5.7795 6.1159 6.1195 6.3446 6.3451 k = 0.0000 0.0000 0.1820 ( 10527 PWs) bands (ev): -14.0758 -14.0758 -13.9062 -13.9062 -13.8181 -13.8181 -13.8124 -13.8124 -7.8740 -7.8739 -6.7932 -6.7932 -6.7711 -6.7707 -6.5457 -6.5452 -4.7514 -4.7501 -3.2826 -3.2742 -3.1995 -3.1902 -3.1114 -3.0943 -3.0104 -2.9892 -2.8769 -2.8741 -2.7367 -2.7254 -2.6097 -2.6091 -2.5105 -2.5013 -1.8300 -1.8198 -1.7445 -1.7418 -1.3227 -1.3126 -1.2292 -1.2191 -0.9327 -0.9318 -0.6920 -0.6711 -0.6578 -0.6409 -0.6240 -0.6096 0.0103 0.0152 0.1931 0.1969 0.3687 0.3719 4.5795 4.5818 4.9940 4.9960 5.0413 5.0456 5.8093 5.8140 6.1110 6.1152 6.3427 6.3433 k = 0.0000 0.0000 0.2047 ( 10527 PWs) bands (ev): -14.0728 -14.0728 -13.9099 -13.9099 -13.8184 -13.8184 -13.8114 -13.8114 -7.8806 -7.8804 -6.7931 -6.7931 -6.7658 -6.7654 -6.5436 -6.5431 -4.7423 -4.7409 -3.3050 -3.2971 -3.2179 -3.2089 -3.1074 -3.0907 -3.0176 -2.9960 -2.8787 -2.8762 -2.7331 -2.7222 -2.5856 -2.5840 -2.4882 -2.4779 -1.8335 -1.8225 -1.7334 -1.7307 -1.3264 -1.3150 -1.2238 -1.2126 -0.9278 -0.9268 -0.6995 -0.6768 -0.6588 -0.6434 -0.6200 -0.6077 0.0033 0.0090 0.1579 0.1622 0.3726 0.3761 4.5429 4.5450 5.0176 5.0209 5.0508 5.0552 5.8433 5.8486 6.1075 6.1121 6.3419 6.3427 k = 0.0000 0.0000 0.2275 ( 10537 PWs) bands (ev): -14.0696 -14.0696 -13.9138 -13.9138 -13.8187 -13.8186 -13.8105 -13.8105 -7.8875 -7.8873 -6.7930 -6.7929 -6.7601 -6.7597 -6.5415 -6.5410 -4.7327 -4.7312 -3.3269 -3.3193 -3.2366 -3.2279 -3.1028 -3.0861 -3.0242 -3.0017 -2.8816 -2.8794 -2.7326 -2.7220 -2.5610 -2.5584 -2.4633 -2.4523 -1.8364 -1.8248 -1.7217 -1.7189 -1.3310 -1.3183 -1.2181 -1.2059 -0.9225 -0.9213 -0.7077 -0.6837 -0.6596 -0.6461 -0.6157 -0.6055 -0.0047 0.0021 0.1216 0.1265 0.3766 0.3802 4.5067 4.5087 5.0388 5.0446 5.0608 5.0655 5.8745 5.8805 6.1074 6.1125 6.3426 6.3435 k = 0.0000 0.0000 0.2502 ( 10531 PWs) bands (ev): -14.0661 -14.0661 -13.9180 -13.9180 -13.8189 -13.8189 -13.8096 -13.8096 -7.8946 -7.8944 -6.7929 -6.7928 -6.7542 -6.7538 -6.5394 -6.5389 -4.7228 -4.7212 -3.3480 -3.3407 -3.2552 -3.2467 -3.0981 -3.0810 -3.0296 -3.0063 -2.8857 -2.8838 -2.7341 -2.7236 -2.5359 -2.5325 -2.4371 -2.4257 -1.8386 -1.8264 -1.7097 -1.7068 -1.3366 -1.3227 -1.2122 -1.1991 -0.9170 -0.9156 -0.7165 -0.6916 -0.6602 -0.6488 -0.6112 -0.6030 -0.0143 -0.0058 0.0853 0.0911 0.3806 0.3843 4.4711 4.4731 5.0494 5.0552 5.0826 5.0853 5.8988 5.9052 6.1141 6.1195 6.3454 6.3463 k = 0.0000 0.0000 0.2730 ( 10527 PWs) bands (ev): -14.0622 -14.0622 -13.9225 -13.9225 -13.8193 -13.8192 -13.8087 -13.8087 -7.9018 -7.9016 -6.7927 -6.7926 -6.7482 -6.7477 -6.5374 -6.5368 -4.7126 -4.7110 -3.3680 -3.3610 -3.2732 -3.2650 -3.0937 -3.0762 -3.0334 -3.0093 -2.8913 -2.8896 -2.7367 -2.7264 -2.5105 -2.5066 -2.4107 -2.3990 -1.8398 -1.8271 -1.6975 -1.6945 -1.3432 -1.3281 -1.2062 -1.1923 -0.9112 -0.9096 -0.7260 -0.7006 -0.6607 -0.6513 -0.6067 -0.6002 -0.0268 -0.0160 0.0510 0.0583 0.3845 0.3882 4.4365 4.4384 5.0515 5.0566 5.1117 5.1127 5.9122 5.9187 6.1306 6.1361 6.3507 6.3516 k = 0.0000 0.0000 0.2957 ( 10516 PWs) bands (ev): -14.0582 -14.0582 -13.9272 -13.9272 -13.8196 -13.8196 -13.8078 -13.8078 -7.9090 -7.9088 -6.7926 -6.7925 -6.7420 -6.7416 -6.5354 -6.5348 -4.7025 -4.7009 -3.3868 -3.3801 -3.2904 -3.2826 -3.0901 -3.0733 -3.0341 -3.0105 -2.8981 -2.8967 -2.7398 -2.7296 -2.4852 -2.4809 -2.3846 -2.3728 -1.8400 -1.8270 -1.6855 -1.6823 -1.3507 -1.3346 -1.2002 -1.1855 -0.9054 -0.9035 -0.7361 -0.7107 -0.6611 -0.6533 -0.6024 -0.5973 -0.0445 -0.0312 0.0221 0.0311 0.3882 0.3918 4.4031 4.4048 5.0500 5.0546 5.1426 5.1429 5.9133 5.9196 6.1569 6.1622 6.3596 6.3604 k = 0.0000 0.0000 0.3185 ( 10512 PWs) bands (ev): -14.0538 -14.0538 -13.9321 -13.9321 -13.8199 -13.8199 -13.8070 -13.8070 -7.9160 -7.9158 -6.7924 -6.7923 -6.7359 -6.7354 -6.5335 -6.5329 -4.6925 -4.6908 -3.4041 -3.3977 -3.3067 -3.2992 -3.0881 -3.0735 -3.0308 -3.0094 -2.9060 -2.9049 -2.7429 -2.7329 -2.4604 -2.4559 -2.3593 -2.3475 -1.8391 -1.8258 -1.6738 -1.6703 -1.3591 -1.3421 -1.1942 -1.1790 -0.8997 -0.8974 -0.7468 -0.7216 -0.6612 -0.6548 -0.5982 -0.5944 -0.0686 -0.0547 0.0027 0.0117 0.3917 0.3952 4.3712 4.3727 5.0462 5.0505 5.1740 5.1745 5.9041 5.9102 6.1890 6.1939 6.3732 6.3738 k = 0.0000 0.0000 0.3412 ( 10520 PWs) bands (ev): -14.0493 -14.0493 -13.9372 -13.9372 -13.8202 -13.8202 -13.8062 -13.8062 -7.9228 -7.9226 -6.7923 -6.7922 -6.7299 -6.7294 -6.5318 -6.5312 -4.6828 -4.6812 -3.4200 -3.4139 -3.3219 -3.3148 -3.0877 -3.0764 -3.0241 -3.0060 -2.9146 -2.9137 -2.7459 -2.7363 -2.4364 -2.4319 -2.3349 -2.3235 -1.8371 -1.8238 -1.6626 -1.6588 -1.3684 -1.3507 -1.1881 -1.1726 -0.8941 -0.8915 -0.7581 -0.7334 -0.6613 -0.6556 -0.5945 -0.5917 -0.0969 -0.0839 -0.0092 -0.0014 0.3950 0.3983 4.3409 4.3424 5.0409 5.0449 5.2058 5.2068 5.8876 5.8934 6.2215 6.2258 6.3931 6.3939 k = 0.0000 0.0000 0.3639 ( 10530 PWs) bands (ev): -14.0445 -14.0445 -13.9424 -13.9424 -13.8204 -13.8204 -13.8055 -13.8055 -7.9293 -7.9291 -6.7921 -6.7920 -6.7240 -6.7236 -6.5303 -6.5297 -4.6735 -4.6719 -3.4343 -3.4286 -3.3360 -3.3293 -3.0889 -3.0808 -3.0156 -3.0008 -2.9233 -2.9227 -2.7488 -2.7397 -2.4137 -2.4093 -2.3118 -2.3008 -1.8341 -1.8209 -1.6520 -1.6480 -1.3782 -1.3600 -1.1822 -1.1665 -0.8889 -0.8858 -0.7697 -0.7460 -0.6612 -0.6555 -0.5912 -0.5893 -0.1262 -0.1143 -0.0174 -0.0108 0.3980 0.4011 4.3126 4.3140 5.0347 5.0383 5.2378 5.2392 5.8660 5.8717 6.2498 6.2533 6.4207 6.4223 k = 0.0000 0.0000 0.3867 ( 10534 PWs) bands (ev): -14.0395 -14.0395 -13.9478 -13.9478 -13.8207 -13.8207 -13.8049 -13.8049 -7.9353 -7.9351 -6.7920 -6.7919 -6.7185 -6.7180 -6.5289 -6.5283 -4.6648 -4.6633 -3.4469 -3.4417 -3.3487 -3.3425 -3.0914 -3.0856 -3.0065 -2.9946 -2.9316 -2.9312 -2.7515 -2.7430 -2.3927 -2.3885 -2.2900 -2.2796 -1.8302 -1.8174 -1.6422 -1.6379 -1.3883 -1.3701 -1.1764 -1.1608 -0.8843 -0.8807 -0.7814 -0.7589 -0.6609 -0.6549 -0.5885 -0.5872 -0.1542 -0.1433 -0.0238 -0.0181 0.4007 0.4036 4.2865 4.2878 5.0279 5.0312 5.2699 5.2716 5.8411 5.8466 6.2719 6.2743 6.4558 6.4585 k = 0.0000 0.0000 0.4094 ( 10538 PWs) bands (ev): -14.0343 -14.0343 -13.9533 -13.9533 -13.8210 -13.8209 -13.8043 -13.8043 -7.9408 -7.9407 -6.7918 -6.7918 -6.7133 -6.7129 -6.5277 -6.5272 -4.6568 -4.6554 -3.4579 -3.4531 -3.3601 -3.3545 -3.0945 -3.0906 -2.9980 -2.9886 -2.9389 -2.9383 -2.7539 -2.7462 -2.3735 -2.3698 -2.2696 -2.2600 -1.8257 -1.8135 -1.6333 -1.6288 -1.3985 -1.3805 -1.1708 -1.1557 -0.8803 -0.8761 -0.7927 -0.7720 -0.6602 -0.6537 -0.5867 -0.5853 -0.1798 -0.1699 -0.0291 -0.0241 0.4031 0.4058 4.2629 4.2640 5.0210 5.0239 5.3016 5.3037 5.8140 5.8193 6.2879 6.2896 6.4961 6.4996 k = 0.0000 0.0000 0.4322 ( 10534 PWs) bands (ev): -14.0290 -14.0290 -13.9590 -13.9590 -13.8212 -13.8212 -13.8038 -13.8038 -7.9457 -7.9456 -6.7917 -6.7916 -6.7086 -6.7082 -6.5268 -6.5263 -4.6496 -4.6484 -3.4673 -3.4630 -3.3701 -3.3651 -3.0978 -3.0952 -2.9912 -2.9842 -2.9441 -2.9428 -2.7561 -2.7492 -2.3565 -2.3533 -2.2509 -2.2423 -1.8208 -1.8095 -1.6254 -1.6208 -1.4083 -1.3911 -1.1654 -1.1511 -0.8772 -0.8724 -0.8032 -0.7847 -0.6591 -0.6523 -0.5856 -0.5838 -0.2021 -0.1933 -0.0335 -0.0292 0.4053 0.4076 4.2420 4.2429 5.0143 5.0168 5.3329 5.3352 5.7855 5.7907 6.2995 6.3006 6.5383 6.5422 k = 0.0000 0.0000 0.4549 ( 10540 PWs) bands (ev): -14.0236 -14.0236 -13.9647 -13.9647 -13.8214 -13.8214 -13.8034 -13.8034 -7.9500 -7.9499 -6.7916 -6.7915 -6.7044 -6.7040 -6.5260 -6.5255 -4.6433 -4.6423 -3.4750 -3.4713 -3.3786 -3.3743 -3.1012 -3.0994 -2.9876 -2.9828 -2.9461 -2.9440 -2.7580 -2.7521 -2.3420 -2.3393 -2.2340 -2.2267 -1.8158 -1.8056 -1.6184 -1.6140 -1.4173 -1.4014 -1.1603 -1.1473 -0.8751 -0.8697 -0.8121 -0.7966 -0.6576 -0.6509 -0.5852 -0.5829 -0.2209 -0.2133 -0.0372 -0.0335 0.4071 0.4091 4.2239 4.2247 5.0082 5.0103 5.3635 5.3659 5.7566 5.7615 6.3078 6.3086 6.5791 6.5833 k = 0.0000 0.0000 0.4777 ( 10544 PWs) bands (ev): -14.0181 -14.0181 -13.9704 -13.9704 -13.8215 -13.8215 -13.8030 -13.8030 -7.9536 -7.9535 -6.7915 -6.7914 -6.7008 -6.7005 -6.5253 -6.5250 -4.6381 -4.6372 -3.4812 -3.4781 -3.3856 -3.3820 -3.1042 -3.1030 -2.9871 -2.9841 -2.9447 -2.9423 -2.7595 -2.7547 -2.3299 -2.3278 -2.2194 -2.2134 -1.8109 -1.8022 -1.6126 -1.6084 -1.4250 -1.4111 -1.1555 -1.1443 -0.8740 -0.8683 -0.8191 -0.8068 -0.6558 -0.6496 -0.5850 -0.5825 -0.2360 -0.2298 -0.0401 -0.0371 0.4086 0.4102 4.2089 4.2095 5.0029 5.0046 5.3927 5.3953 5.7282 5.7327 6.3139 6.3144 6.6163 6.6207 k = 0.0000 0.0000 0.5004 ( 10548 PWs) bands (ev): -14.0125 -14.0125 -13.9762 -13.9762 -13.8217 -13.8217 -13.8028 -13.8028 -7.9564 -7.9563 -6.7914 -6.7914 -6.6980 -6.6978 -6.5249 -6.5246 -4.6339 -4.6332 -3.4858 -3.4834 -3.3910 -3.3882 -3.1067 -3.1059 -2.9886 -2.9867 -2.9415 -2.9393 -2.7606 -2.7569 -2.3205 -2.3190 -2.2073 -2.2027 -1.8064 -1.7996 -1.6078 -1.6043 -1.4311 -1.4198 -1.1513 -1.1423 -0.8738 -0.8682 -0.8238 -0.8150 -0.6539 -0.6486 -0.5851 -0.5827 -0.2475 -0.2427 -0.0423 -0.0400 0.4098 0.4111 4.1970 4.1975 4.9986 4.9999 5.4198 5.4223 5.7016 5.7055 6.3182 6.3185 6.6488 6.6533 k = 0.0000 0.0000 0.5232 ( 10546 PWs) bands (ev): -14.0069 -14.0069 -13.9819 -13.9819 -13.8217 -13.8217 -13.8026 -13.8026 -7.9584 -7.9584 -6.7913 -6.7913 -6.6959 -6.6957 -6.5245 -6.5243 -4.6308 -4.6303 -3.4889 -3.4873 -3.3947 -3.3929 -3.1086 -3.1081 -2.9904 -2.9893 -2.9381 -2.9365 -2.7612 -2.7588 -2.3138 -2.3127 -2.1982 -2.1950 -1.8026 -1.7979 -1.6042 -1.6016 -1.4350 -1.4270 -1.1476 -1.1413 -0.8739 -0.8694 -0.8265 -0.8209 -0.6520 -0.6481 -0.5850 -0.5831 -0.2553 -0.2521 -0.0438 -0.0422 0.4108 0.4116 4.1885 4.1888 4.9954 4.9963 5.4432 5.4453 5.6787 5.6818 6.3211 6.3213 6.6763 6.6809 k = 0.0000 0.0000 0.5459 ( 10552 PWs) bands (ev): -14.0016 -14.0016 -13.9873 -13.9873 -13.8218 -13.8218 -13.8025 -13.8025 -7.9596 -7.9596 -6.7913 -6.7913 -6.6946 -6.6945 -6.5243 -6.5242 -4.6289 -4.6286 -3.4906 -3.4898 -3.3968 -3.3958 -3.1097 -3.1095 -2.9917 -2.9912 -2.9355 -2.9347 -2.7614 -2.7601 -2.3096 -2.3091 -2.1922 -2.1906 -1.7997 -1.7973 -1.6017 -1.6003 -1.4366 -1.4324 -1.1446 -1.1414 -0.8737 -0.8712 -0.8273 -0.8247 -0.6503 -0.6482 -0.5848 -0.5838 -0.2596 -0.2580 -0.0445 -0.0437 0.4114 0.4118 4.1834 4.1835 4.9936 4.9940 5.4602 5.4615 5.6627 5.6645 6.3228 6.3229 6.6991 6.7035 k = 0.0000 0.0000 0.5687 ( 10562 PWs) bands (ev): -13.9985 -13.9985 -13.9904 -13.9904 -13.8218 -13.8218 -13.8024 -13.8024 -7.9600 -7.9600 -6.7913 -6.7913 -6.6941 -6.6941 -6.5242 -6.5242 -4.6282 -4.6282 -3.4909 -3.4909 -3.3972 -3.3972 -3.1100 -3.1100 -2.9920 -2.9920 -2.9344 -2.9344 -2.7610 -2.7610 -2.3081 -2.3081 -2.1897 -2.1897 -1.7979 -1.7979 -1.6003 -1.6003 -1.4357 -1.4357 -1.1425 -1.1425 -0.8728 -0.8728 -0.8267 -0.8267 -0.6490 -0.6490 -0.5844 -0.5844 -0.2605 -0.2605 -0.0445 -0.0445 0.4118 0.4118 4.1817 4.1817 4.9931 4.9931 5.4670 5.4670 5.6574 5.6574 6.3234 6.3234 6.7148 6.7148 k = 0.0000 0.0000 0.5687 ( 10562 PWs) bands (ev): -13.9985 -13.9985 -13.9904 -13.9904 -13.8218 -13.8218 -13.8024 -13.8024 -7.9600 -7.9600 -6.7913 -6.7913 -6.6941 -6.6941 -6.5242 -6.5242 -4.6282 -4.6282 -3.4909 -3.4909 -3.3972 -3.3972 -3.1100 -3.1100 -2.9920 -2.9920 -2.9344 -2.9344 -2.7610 -2.7610 -2.3081 -2.3081 -2.1897 -2.1897 -1.7979 -1.7979 -1.6003 -1.6003 -1.4357 -1.4357 -1.1425 -1.1425 -0.8728 -0.8728 -0.8267 -0.8267 -0.6490 -0.6490 -0.5844 -0.5844 -0.2605 -0.2605 -0.0445 -0.0445 0.4118 0.4118 4.1817 4.1817 4.9931 4.9931 5.4670 5.4670 5.6574 5.6574 6.3234 6.3234 6.7148 6.7148 k =-0.0200 0.0108 0.5687 ( 10546 PWs) bands (ev): -13.9984 -13.9984 -13.9904 -13.9904 -13.8227 -13.8227 -13.8016 -13.8016 -7.9606 -7.9606 -6.7931 -6.7928 -6.6923 -6.6921 -6.5240 -6.5240 -4.6279 -4.6277 -3.4904 -3.4897 -3.3980 -3.3964 -3.1147 -3.1087 -2.9921 -2.9896 -2.9350 -2.9295 -2.7601 -2.7598 -2.3091 -2.3090 -2.1900 -2.1894 -1.8010 -1.7969 -1.6018 -1.5985 -1.4368 -1.4354 -1.1444 -1.1429 -0.8753 -0.8717 -0.8271 -0.8253 -0.6511 -0.6476 -0.5851 -0.5834 -0.2603 -0.2601 -0.0451 -0.0443 0.4094 0.4096 4.1844 4.1844 4.9928 4.9939 5.4654 5.4672 5.6598 5.6607 6.3219 6.3221 6.7102 6.7141 k =-0.0400 0.0217 0.5687 ( 10538 PWs) bands (ev): -13.9982 -13.9982 -13.9903 -13.9903 -13.8249 -13.8249 -13.7996 -13.7996 -7.9623 -7.9623 -6.7978 -6.7974 -6.6870 -6.6866 -6.5236 -6.5236 -4.6270 -4.6265 -3.4883 -3.4869 -3.3989 -3.3957 -3.1219 -3.1109 -2.9900 -2.9860 -2.9311 -2.9205 -2.7570 -2.7565 -2.3122 -2.3118 -2.1903 -2.1891 -1.8059 -1.7978 -1.6028 -1.5964 -1.4387 -1.4359 -1.1485 -1.1455 -0.8790 -0.8721 -0.8264 -0.8232 -0.6540 -0.6471 -0.5855 -0.5823 -0.2596 -0.2590 -0.0463 -0.0447 0.4024 0.4029 4.1923 4.1924 4.9929 4.9951 5.4628 5.4663 5.6677 5.6694 6.3178 6.3182 6.7052 6.7096 k =-0.0600 0.0325 0.5687 ( 10520 PWs) bands (ev): -13.9980 -13.9980 -13.9901 -13.9901 -13.8280 -13.8280 -13.7969 -13.7969 -7.9651 -7.9651 -6.8047 -6.8042 -6.6790 -6.6784 -6.5229 -6.5228 -4.6254 -4.6247 -3.4847 -3.4826 -3.3997 -3.3950 -3.1303 -3.1156 -2.9872 -2.9826 -2.9220 -2.9075 -2.7519 -2.7512 -2.3172 -2.3165 -2.1907 -2.1890 -1.8124 -1.8008 -1.6033 -1.5941 -1.4413 -1.4372 -1.1547 -1.1503 -0.8836 -0.8740 -0.8247 -0.8206 -0.6574 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-2.9792 -2.8900 -2.8722 -2.7358 -2.7348 -2.3320 -2.3303 -2.1921 -2.1896 -1.8295 -1.8120 -1.6037 -1.5900 -1.4489 -1.4421 -1.1732 -1.1663 -0.8949 -0.8815 -0.8190 -0.8144 -0.6657 -0.6509 -0.5845 -0.5792 -0.2536 -0.2521 -0.0524 -0.0486 0.3558 0.3572 4.2470 4.2472 4.9942 4.9994 5.4529 5.4599 5.7191 5.7221 6.2920 6.2929 6.6908 6.6945 k =-0.1200 0.0650 0.5687 ( 10534 PWs) bands (ev): -13.9965 -13.9965 -13.9891 -13.9891 -13.8392 -13.8392 -13.7877 -13.7876 -7.9794 -7.9793 -6.8312 -6.8306 -6.6464 -6.6456 -6.5191 -6.5190 -4.6170 -4.6157 -3.4668 -3.4615 -3.3996 -3.3903 -3.1529 -3.1336 -2.9816 -2.9789 -2.8694 -2.8517 -2.7250 -2.7240 -2.3413 -2.3388 -2.1932 -2.1905 -1.8396 -1.8198 -1.6038 -1.5886 -1.4536 -1.4456 -1.1853 -1.1773 -0.9014 -0.8867 -0.8155 -0.8111 -0.6705 -0.6539 -0.5838 -0.5784 -0.2503 -0.2484 -0.0552 -0.0506 0.3327 0.3344 4.2748 4.2750 4.9943 5.0002 5.4498 5.4574 5.7431 5.7463 6.2796 6.2806 6.6854 6.6889 k =-0.1400 0.0758 0.5687 ( 10550 PWs) bands (ev): -13.9959 -13.9958 -13.9886 -13.9886 -13.8432 -13.8432 -13.7846 -13.7846 -7.9858 -7.9857 -6.8406 -6.8400 -6.6342 -6.6334 -6.5174 -6.5173 -4.6133 -4.6117 -3.4596 -3.4530 -3.3973 -3.3867 -3.1581 -3.1383 -2.9812 -2.9789 -2.8474 -2.8304 -2.7127 -2.7116 -2.3513 -2.3478 -2.1948 -2.1919 -1.8504 -1.8288 -1.6040 -1.5876 -1.4590 -1.4497 -1.1992 -1.1902 -0.9083 -0.8926 -0.8118 -0.8076 -0.6756 -0.6575 -0.5830 -0.5780 -0.2463 -0.2441 -0.0582 -0.0530 0.3065 0.3084 4.3069 4.3072 4.9938 5.0005 5.4465 5.4546 5.7696 5.7729 6.2656 6.2666 6.6793 6.6824 k =-0.1600 0.0867 0.5687 ( 10558 PWs) bands (ev): -13.9951 -13.9951 -13.9881 -13.9881 -13.8473 -13.8472 -13.7816 -13.7816 -7.9929 -7.9927 -6.8499 -6.8493 -6.6217 -6.6210 -6.5156 -6.5154 -4.6092 -4.6075 -3.4525 -3.4447 -3.3927 -3.3810 -3.1617 -3.1418 -2.9815 -2.9791 -2.8251 -2.8092 -2.6990 -2.6975 -2.3616 -2.3569 -2.1968 -2.1937 -1.8618 -1.8388 -1.6046 -1.5873 -1.4649 -1.4544 -1.2146 -1.2047 -0.9155 -0.8991 -0.8080 -0.8041 -0.6811 -0.6619 -0.5822 -0.5777 -0.2416 -0.2390 -0.0613 -0.0556 0.2776 0.2798 4.3430 4.3433 4.9927 4.9999 5.4426 5.4509 5.7980 5.8013 6.2501 6.2512 6.6718 6.6747 k =-0.1800 0.0975 0.5687 ( 10554 PWs) bands (ev): -13.9942 -13.9942 -13.9875 -13.9875 -13.8513 -13.8513 -13.7787 -13.7787 -8.0004 -8.0003 -6.8591 -6.8585 -6.6093 -6.6085 -6.5136 -6.5134 -4.6048 -4.6030 -3.4462 -3.4376 -3.3849 -3.3727 -3.1636 -3.1439 -2.9823 -2.9794 -2.8036 -2.7891 -2.6841 -2.6817 -2.3716 -2.3656 -2.1994 -2.1961 -1.8735 -1.8494 -1.6055 -1.5875 -1.4712 -1.4596 -1.2315 -1.2208 -0.9231 -0.9061 -0.8042 -0.8006 -0.6869 -0.6668 -0.5815 -0.5777 -0.2362 -0.2333 -0.0646 -0.0583 0.2465 0.2490 4.3826 4.3829 4.9911 4.9987 5.4376 5.4459 5.8279 5.8312 6.2332 6.2344 6.6628 6.6654 k =-0.2000 0.1084 0.5687 ( 10572 PWs) bands (ev): -13.9933 -13.9933 -13.9869 -13.9869 -13.8553 -13.8553 -13.7760 -13.7759 -8.0083 -8.0082 -6.8680 -6.8674 -6.5970 -6.5963 -6.5116 -6.5114 -4.6003 -4.5983 -3.4407 -3.4320 -3.3736 -3.3617 -3.1639 -3.1446 -2.9836 -2.9799 -2.7839 -2.7709 -2.6679 -2.6643 -2.3807 -2.3732 -2.2024 -2.1991 -1.8855 -1.8605 -1.6068 -1.5884 -1.4780 -1.4654 -1.2495 -1.2382 -0.9308 -0.9135 -0.8005 -0.7972 -0.6930 -0.6722 -0.5809 -0.5778 -0.2303 -0.2270 -0.0680 -0.0612 0.2138 0.2165 4.4254 4.4257 4.9889 4.9968 5.4306 5.4388 5.8588 5.8620 6.2154 6.2166 6.6526 6.6549 k =-0.2200 0.1192 0.5687 ( 10572 PWs) bands (ev): -13.9923 -13.9923 -13.9863 -13.9863 -13.8592 -13.8592 -13.7733 -13.7733 -8.0165 -8.0164 -6.8765 -6.8760 -6.5850 -6.5843 -6.5095 -6.5093 -4.5957 -4.5937 -3.4361 -3.4275 -3.3592 -3.3480 -3.1627 -3.1437 -2.9852 -2.9806 -2.7675 -2.7554 -2.6505 -2.6454 -2.3881 -2.3790 -2.2060 -2.2026 -1.8976 -1.8720 -1.6085 -1.5897 -1.4851 -1.4716 -1.2686 -1.2567 -0.9387 -0.9212 -0.7970 -0.7939 -0.6995 -0.6783 -0.5804 -0.5780 -0.2237 -0.2202 -0.0714 -0.0641 0.1801 0.1831 4.4708 4.4710 4.9863 4.9944 5.4212 5.4290 5.8900 5.8931 6.1968 6.1981 6.6425 6.6445 k =-0.2400 0.1300 0.5687 ( 10574 PWs) bands (ev): -13.9912 -13.9912 -13.9857 -13.9857 -13.8630 -13.8630 -13.7709 -13.7709 -8.0248 -8.0246 -6.8846 -6.8842 -6.5734 -6.5726 -6.5073 -6.5071 -4.5912 -4.5891 -3.4320 -3.4238 -3.3423 -3.3318 -3.1598 -3.1415 -2.9871 -2.9817 -2.7554 -2.7436 -2.6318 -2.6254 -2.3931 -2.3823 -2.2101 -2.2066 -1.9096 -1.8838 -1.6104 -1.5913 -1.4925 -1.4783 -1.2886 -1.2762 -0.9466 -0.9291 -0.7936 -0.7908 -0.7062 -0.6848 -0.5801 -0.5782 -0.2167 -0.2129 -0.0748 -0.0670 0.1459 0.1491 4.5181 4.5184 4.9835 4.9917 5.4088 5.4163 5.9211 5.9241 6.1779 6.1792 6.6339 6.6357 k =-0.2600 0.1409 0.5687 ( 10578 PWs) bands (ev): -13.9901 -13.9901 -13.9851 -13.9851 -13.8668 -13.8668 -13.7686 -13.7686 -8.0330 -8.0328 -6.8924 -6.8919 -6.5622 -6.5615 -6.5052 -6.5050 -4.5867 -4.5846 -3.4282 -3.4204 -3.3234 -3.3137 -3.1556 -3.1378 -2.9894 -2.9832 -2.7482 -2.7362 -2.6120 -2.6046 -2.3950 -2.3826 -2.2146 -2.2111 -1.9216 -1.8957 -1.6123 -1.5930 -1.5000 -1.4854 -1.3092 -1.2965 -0.9544 -0.9372 -0.7904 -0.7878 -0.7132 -0.6918 -0.5799 -0.5783 -0.2093 -0.2052 -0.0781 -0.0699 0.1118 0.1152 4.5669 4.5671 4.9807 4.9888 5.3934 5.4005 5.9514 5.9544 6.1591 6.1605 6.6280 6.6296 k =-0.2800 0.1517 0.5687 ( 10578 PWs) bands (ev): -13.9890 -13.9890 -13.9844 -13.9844 -13.8704 -13.8703 -13.7665 -13.7665 -8.0411 -8.0409 -6.8996 -6.8991 -6.5516 -6.5509 -6.5032 -6.5030 -4.5824 -4.5804 -3.4245 -3.4170 -3.3030 -3.2939 -3.1500 -3.1329 -2.9920 -2.9851 -2.7461 -2.7336 -2.5915 -2.5838 -2.3930 -2.3795 -2.2196 -2.2160 -1.9335 -1.9076 -1.6141 -1.5946 -1.5077 -1.4928 -1.3303 -1.3172 -0.9620 -0.9452 -0.7874 -0.7851 -0.7203 -0.6992 -0.5798 -0.5783 -0.2016 -0.1974 -0.0815 -0.0728 0.0784 0.0820 4.6165 4.6167 4.9781 4.9861 5.3749 5.3816 5.9802 5.9830 6.1410 6.1423 6.6252 6.6266 k =-0.3000 0.1625 0.5687 ( 10600 PWs) bands (ev): -13.9879 -13.9878 -13.9838 -13.9838 -13.8738 -13.8738 -13.7645 -13.7645 -8.0488 -8.0487 -6.9063 -6.9059 -6.5416 -6.5410 -6.5012 -6.5010 -4.5784 -4.5764 -3.4207 -3.4136 -3.2814 -3.2728 -3.1432 -3.1267 -2.9950 -2.9875 -2.7487 -2.7359 -2.5710 -2.5634 -2.3873 -2.3728 -2.2249 -2.2213 -1.9451 -1.9196 -1.6156 -1.5958 -1.5155 -1.5005 -1.3516 -1.3384 -0.9694 -0.9532 -0.7847 -0.7826 -0.7276 -0.7070 -0.5797 -0.5782 -0.1938 -0.1895 -0.0850 -0.0756 0.0462 0.0502 4.6661 4.6663 4.9759 4.9836 5.3540 5.3603 6.0067 6.0093 6.1241 6.1254 6.6256 6.6269 k =-0.3200 0.1734 0.5687 ( 10592 PWs) bands (ev): -13.9867 -13.9867 -13.9832 -13.9832 -13.8770 -13.8770 -13.7628 -13.7627 -8.0562 -8.0561 -6.9125 -6.9121 -6.5324 -6.5318 -6.4993 -6.4991 -4.5746 -4.5727 -3.4168 -3.4102 -3.2589 -3.2507 -3.1354 -3.1196 -2.9985 -2.9904 -2.7555 -2.7428 -2.5510 -2.5440 -2.3778 -2.3629 -2.2304 -2.2268 -1.9564 -1.9315 -1.6163 -1.5964 -1.5231 -1.5084 -1.3731 -1.3597 -0.9764 -0.9610 -0.7822 -0.7804 -0.7347 -0.7150 -0.5797 -0.5780 -0.1861 -0.1817 -0.0886 -0.0785 0.0158 0.0203 4.7150 4.7153 4.9742 4.9817 5.3311 5.3370 6.0294 6.0317 6.1096 6.1108 6.6287 6.6299 k =-0.3400 0.1842 0.5687 ( 10596 PWs) bands (ev): -13.9856 -13.9856 -13.9826 -13.9826 -13.8800 -13.8800 -13.7612 -13.7611 -8.0632 -8.0630 -6.9181 -6.9177 -6.5239 -6.5234 -6.4976 -6.4974 -4.5712 -4.5694 -3.4129 -3.4067 -3.2359 -3.2279 -3.1266 -3.1116 -3.0026 -2.9940 -2.7657 -2.7534 -2.5321 -2.5260 -2.3654 -2.3503 -2.2361 -2.2326 -1.9674 -1.9433 -1.6161 -1.5960 -1.5305 -1.5163 -1.3945 -1.3810 -0.9828 -0.9684 -0.7800 -0.7784 -0.7417 -0.7232 -0.5795 -0.5777 -0.1786 -0.1742 -0.0927 -0.0815 -0.0123 -0.0068 4.7624 4.7628 4.9731 4.9803 5.3071 5.3126 6.0455 6.0473 6.1002 6.1014 6.6340 6.6350 k =-0.3600 0.1950 0.5687 ( 10588 PWs) bands (ev): -13.9845 -13.9845 -13.9821 -13.9821 -13.8828 -13.8828 -13.7598 -13.7597 -8.0695 -8.0694 -6.9230 -6.9228 -6.5163 -6.5159 -6.4959 -6.4958 -4.5681 -4.5665 -3.4089 -3.4033 -3.2126 -3.2047 -3.1172 -3.1029 -3.0073 -2.9983 -2.7786 -2.7669 -2.5147 -2.5095 -2.3508 -2.3359 -2.2418 -2.2383 -1.9780 -1.9550 -1.6147 -1.5944 -1.5375 -1.5240 -1.4157 -1.4021 -0.9887 -0.9755 -0.7780 -0.7768 -0.7483 -0.7313 -0.5792 -0.5774 -0.1714 -0.1671 -0.0976 -0.0849 -0.0374 -0.0302 4.8074 4.8080 4.9729 4.9796 5.2827 5.2879 6.0501 6.0510 6.1006 6.1021 6.6408 6.6416 k =-0.3800 0.2059 0.5687 ( 10566 PWs) bands (ev): -13.9835 -13.9835 -13.9816 -13.9816 -13.8853 -13.8853 -13.7585 -13.7585 -8.0751 -8.0750 -6.9274 -6.9272 -6.5097 -6.5093 -6.4945 -6.4944 -4.5654 -4.5639 -3.4051 -3.4001 -3.1893 -3.1814 -3.1072 -3.0938 -3.0127 -3.0034 -2.7932 -2.7824 -2.4991 -2.4949 -2.3350 -2.3206 -2.2472 -2.2440 -1.9879 -1.9664 -1.6118 -1.5915 -1.5440 -1.5313 -1.4365 -1.4228 -0.9938 -0.9820 -0.7762 -0.7754 -0.7543 -0.7392 -0.5789 -0.5771 -0.1648 -0.1606 -0.1038 -0.0897 -0.0582 -0.0490 4.8492 4.8500 4.9734 4.9796 5.2589 5.2638 6.0445 6.0451 6.1092 6.1108 6.6482 6.6489 k =-0.4000 0.2167 0.5687 ( 10546 PWs) bands (ev): -13.9826 -13.9825 -13.9812 -13.9812 -13.8874 -13.8874 -13.7575 -13.7575 -8.0800 -8.0799 -6.9311 -6.9309 -6.5039 -6.5036 -6.4932 -6.4931 -4.5631 -4.5618 -3.4016 -3.3973 -3.1665 -3.1584 -3.0970 -3.0847 -3.0190 -3.0095 -2.8086 -2.7988 -2.4855 -2.4822 -2.3188 -2.3055 -2.2524 -2.2493 -1.9969 -1.9775 -1.6074 -1.5872 -1.5497 -1.5381 -1.4566 -1.4430 -0.9980 -0.9878 -0.7749 -0.7742 -0.7595 -0.7467 -0.5784 -0.5768 -0.1589 -0.1549 -0.1116 -0.0980 -0.0723 -0.0626 4.8869 4.8878 4.9746 4.9802 5.2366 5.2410 6.0358 6.0363 6.1195 6.1210 6.6556 6.6563 k =-0.4200 0.2275 0.5687 ( 10538 PWs) bands (ev): -13.9818 -13.9818 -13.9809 -13.9809 -13.8893 -13.8893 -13.7566 -13.7566 -8.0841 -8.0840 -6.9342 -6.9341 -6.4993 -6.4990 -6.4921 -6.4920 -4.5612 -4.5601 -3.3984 -3.3948 -3.1444 -3.1361 -3.0868 -3.0759 -3.0263 -3.0166 -2.8238 -2.8153 -2.4741 -2.4716 -2.3034 -2.2915 -2.2569 -2.2542 -2.0048 -1.9880 -1.6014 -1.5814 -1.5547 -1.5440 -1.4758 -1.4623 -1.0014 -0.9930 -0.7740 -0.7731 -0.7636 -0.7536 -0.5780 -0.5766 -0.1539 -0.1503 -0.1203 -0.1098 -0.0793 -0.0714 4.9196 4.9205 4.9764 4.9813 5.2165 5.2204 6.0273 6.0277 6.1284 6.1297 6.6625 6.6631 k =-0.4400 0.2384 0.5687 ( 10528 PWs) bands (ev): -13.9811 -13.9811 -13.9806 -13.9806 -13.8907 -13.8907 -13.7560 -13.7560 -8.0873 -8.0873 -6.9366 -6.9365 -6.4956 -6.4954 -6.4912 -6.4911 -4.5596 -4.5589 -3.3956 -3.3929 -3.1236 -3.1149 -3.0773 -3.0680 -3.0346 -3.0251 -2.8376 -2.8306 -2.4650 -2.4632 -2.2896 -2.2796 -2.2606 -2.2583 -2.0111 -1.9976 -1.5939 -1.5743 -1.5586 -1.5488 -1.4936 -1.4805 -1.0039 -0.9974 -0.7736 -0.7721 -0.7664 -0.7596 -0.5775 -0.5764 -0.1501 -0.1470 -0.1280 -0.1214 -0.0825 -0.0770 4.9463 4.9472 4.9787 4.9827 5.1995 5.2028 6.0201 6.0204 6.1353 6.1362 6.6684 6.6688 k =-0.4600 0.2492 0.5687 ( 10524 PWs) bands (ev): -13.9806 -13.9806 -13.9804 -13.9804 -13.8918 -13.8918 -13.7555 -13.7555 -8.0897 -8.0896 -6.9383 -6.9383 -6.4932 -6.4931 -6.4903 -6.4903 -4.5585 -4.5580 -3.3935 -3.3916 -3.1045 -3.0953 -3.0690 -3.0619 -3.0440 -3.0350 -2.8487 -2.8436 -2.4583 -2.4572 -2.2784 -2.2708 -2.2634 -2.2615 -2.0153 -2.0058 -1.5853 -1.5670 -1.5610 -1.5522 -1.5090 -1.4971 -1.0053 -1.0009 -0.7735 -0.7714 -0.7681 -0.7645 -0.5771 -0.5763 -0.1480 -0.1453 -0.1330 -0.1300 -0.0840 -0.0805 4.9662 4.9669 4.9811 4.9840 5.1867 5.1891 6.0148 6.0150 6.1400 6.1407 6.6729 6.6732 k =-0.4800 0.2600 0.5687 ( 10534 PWs) bands (ev): -13.9803 -13.9803 -13.9803 -13.9803 -13.8924 -13.8924 -13.7552 -13.7552 -8.0911 -8.0911 -6.9394 -6.9393 -6.4920 -6.4919 -6.4896 -6.4895 -4.5578 -4.5575 -3.3920 -3.3910 -3.0876 -3.0785 -3.0637 -3.0586 -3.0531 -3.0463 -2.8555 -2.8528 -2.4542 -2.4537 -2.2708 -2.2665 -2.2644 -2.2632 -2.0170 -2.0120 -1.5766 -1.5661 -1.5579 -1.5537 -1.5196 -1.5113 -1.0057 -1.0035 -0.7730 -0.7710 -0.7689 -0.7680 -0.5767 -0.5763 -0.1476 -0.1457 -0.1350 -0.1343 -0.0844 -0.0827 4.9779 4.9781 4.9840 4.9855 5.1788 5.1800 6.0115 6.0116 6.1428 6.1432 6.6757 6.6759 k =-0.5000 0.2709 0.5687 ( 10530 PWs) bands (ev): -13.9802 -13.9802 -13.9802 -13.9802 -13.8926 -13.8926 -13.7551 -13.7551 -8.0916 -8.0916 -6.9397 -6.9397 -6.4916 -6.4916 -6.4892 -6.4892 -4.5575 -4.5575 -3.3911 -3.3911 -3.0745 -3.0745 -3.0592 -3.0592 -3.0564 -3.0564 -2.8570 -2.8570 -2.4526 -2.4526 -2.2674 -2.2674 -2.2635 -2.2635 -2.0159 -2.0159 -1.5698 -1.5698 -1.5546 -1.5546 -1.5204 -1.5204 -1.0051 -1.0051 -0.7719 -0.7719 -0.7692 -0.7692 -0.5765 -0.5765 -0.1470 -0.1470 -0.1354 -0.1354 -0.0840 -0.0840 4.9809 4.9809 4.9865 4.9865 5.1765 5.1765 6.0105 6.0105 6.1439 6.1439 6.6767 6.6767 k =-0.5000 0.2709 0.5687 ( 10530 PWs) bands (ev): -13.9802 -13.9802 -13.9802 -13.9802 -13.8926 -13.8926 -13.7551 -13.7551 -8.0916 -8.0916 -6.9397 -6.9397 -6.4916 -6.4916 -6.4892 -6.4892 -4.5575 -4.5575 -3.3911 -3.3911 -3.0745 -3.0745 -3.0592 -3.0592 -3.0564 -3.0564 -2.8570 -2.8570 -2.4526 -2.4526 -2.2674 -2.2674 -2.2635 -2.2635 -2.0159 -2.0159 -1.5698 -1.5698 -1.5546 -1.5546 -1.5204 -1.5204 -1.0051 -1.0051 -0.7719 -0.7719 -0.7692 -0.7692 -0.5765 -0.5765 -0.1470 -0.1470 -0.1354 -0.1354 -0.0840 -0.0840 4.9809 4.9809 4.9865 4.9865 5.1765 5.1765 6.0105 6.0105 6.1439 6.1439 6.6767 6.6767 k =-0.4857 0.2631 0.5524 ( 10526 PWs) bands (ev): -13.9805 -13.9805 -13.9801 -13.9801 -13.8924 -13.8924 -13.7552 -13.7552 -8.0911 -8.0911 -6.9394 -6.9393 -6.4920 -6.4919 -6.4896 -6.4895 -4.5578 -4.5575 -3.3920 -3.3910 -3.0874 -3.0781 -3.0645 -3.0606 -3.0516 -3.0457 -2.8555 -2.8528 -2.4542 -2.4537 -2.2707 -2.2664 -2.2643 -2.2637 -2.0170 -2.0120 -1.5766 -1.5661 -1.5576 -1.5542 -1.5195 -1.5111 -1.0057 -1.0035 -0.7731 -0.7708 -0.7689 -0.7682 -0.5767 -0.5763 -0.1475 -0.1454 -0.1350 -0.1346 -0.0844 -0.0827 4.9784 4.9787 4.9835 4.9847 5.1788 5.1801 6.0115 6.0117 6.1428 6.1432 6.6757 6.6758 k =-0.4714 0.2554 0.5362 ( 10536 PWs) bands (ev): -13.9814 -13.9814 -13.9796 -13.9796 -13.8918 -13.8918 -13.7555 -13.7555 -8.0896 -8.0896 -6.9383 -6.9382 -6.4932 -6.4932 -6.4903 -6.4903 -4.5585 -4.5580 -3.3935 -3.3916 -3.1029 -3.0934 -3.0732 -3.0683 -3.0398 -3.0324 -2.8486 -2.8437 -2.4583 -2.4573 -2.2776 -2.2690 -2.2649 -2.2631 -2.0152 -2.0055 -1.5848 -1.5659 -1.5618 -1.5543 -1.5082 -1.4967 -1.0053 -1.0008 -0.7741 -0.7702 -0.7681 -0.7649 -0.5771 -0.5763 -0.1471 -0.1429 -0.1332 -0.1328 -0.0839 -0.0806 4.9713 4.9719 4.9759 4.9784 5.1869 5.1893 6.0149 6.0151 6.1400 6.1407 6.6728 6.6731 k =-0.4571 0.2477 0.5199 ( 10548 PWs) bands (ev): -13.9828 -13.9828 -13.9789 -13.9789 -13.8907 -13.8907 -13.7560 -13.7560 -8.0872 -8.0872 -6.9366 -6.9365 -6.4958 -6.4957 -6.4911 -6.4910 -4.5597 -4.5589 -3.3957 -3.3929 -3.1192 -3.1105 -3.0861 -3.0802 -3.0271 -3.0198 -2.8378 -2.8312 -2.4647 -2.4632 -2.2876 -2.2760 -2.2644 -2.2620 -2.0108 -1.9970 -1.5924 -1.5713 -1.5618 -1.5528 -1.4917 -1.4795 -1.0037 -0.9972 -0.7751 -0.7693 -0.7666 -0.7603 -0.5776 -0.5764 -0.1460 -0.1395 -0.1301 -0.1296 -0.0824 -0.0775 4.9598 4.9611 4.9645 4.9682 5.1999 5.2032 6.0204 6.0207 6.1355 6.1364 6.6683 6.6687 k =-0.4429 0.2399 0.5037 ( 10544 PWs) bands (ev): -13.9848 -13.9848 -13.9778 -13.9778 -13.8893 -13.8892 -13.7567 -13.7567 -8.0839 -8.0838 -6.9342 -6.9340 -6.4995 -6.4994 -6.4921 -6.4919 -4.5614 -4.5603 -3.3985 -3.3947 -3.1361 -3.1288 -3.1010 -3.0949 -3.0150 -3.0079 -2.8248 -2.8171 -2.4731 -2.4711 -2.3000 -2.2859 -2.2641 -2.2610 -2.0040 -1.9868 -1.5986 -1.5770 -1.5604 -1.5502 -1.4727 -1.4607 -1.0011 -0.9927 -0.7763 -0.7686 -0.7637 -0.7545 -0.5782 -0.5766 -0.1442 -0.1355 -0.1265 -0.1242 -0.0797 -0.0734 4.9444 4.9463 4.9501 4.9548 5.2170 5.2209 6.0279 6.0284 6.1292 6.1304 6.6623 6.6628 k =-0.4286 0.2322 0.4874 ( 10562 PWs) bands (ev): -13.9872 -13.9872 -13.9765 -13.9765 -13.8875 -13.8875 -13.7575 -13.7575 -8.0797 -8.0796 -6.9311 -6.9309 -6.5044 -6.5042 -6.4931 -6.4929 -4.5635 -4.5622 -3.4017 -3.3970 -3.1533 -3.1481 -3.1166 -3.1105 -3.0036 -2.9968 -2.8111 -2.8025 -2.4831 -2.4806 -2.3139 -2.2978 -2.2642 -2.2605 -1.9954 -1.9754 -1.6032 -1.5818 -1.5582 -1.5465 -1.4525 -1.4410 -0.9973 -0.9872 -0.7776 -0.7681 -0.7593 -0.7477 -0.5788 -0.5770 -0.1419 -0.1309 -0.1218 -0.1171 -0.0756 -0.0681 4.9258 4.9277 4.9340 4.9391 5.2373 5.2415 6.0372 6.0378 6.1212 6.1228 6.6553 6.6559 k =-0.4143 0.2244 0.4712 ( 10574 PWs) bands (ev): -13.9901 -13.9901 -13.9749 -13.9749 -13.8854 -13.8854 -13.7586 -13.7585 -8.0745 -8.0744 -6.9275 -6.9272 -6.5103 -6.5101 -6.4944 -6.4941 -4.5661 -4.5646 -3.4052 -3.3995 -3.1709 -3.1682 -3.1322 -3.1259 -2.9930 -2.9864 -2.7978 -2.7887 -2.4946 -2.4914 -2.3286 -2.3111 -2.2652 -2.2609 -1.9854 -1.9633 -1.6064 -1.5854 -1.5550 -1.5419 -1.4319 -1.4208 -0.9924 -0.9808 -0.7790 -0.7677 -0.7537 -0.7401 -0.5796 -0.5775 -0.1392 -0.1262 -0.1156 -0.1085 -0.0698 -0.0616 4.9044 4.9063 4.9162 4.9214 5.2599 5.2645 6.0478 6.0487 6.1120 6.1137 6.6475 6.6481 k =-0.4000 0.2167 0.4549 ( 10584 PWs) bands (ev): -13.9933 -13.9933 -13.9730 -13.9730 -13.8831 -13.8830 -13.7598 -13.7598 -8.0686 -8.0685 -6.9233 -6.9230 -6.5173 -6.5171 -6.4958 -6.4955 -4.5693 -4.5675 -3.4088 -3.4022 -3.1890 -3.1881 -3.1474 -3.1401 -2.9832 -2.9767 -2.7857 -2.7762 -2.5072 -2.5032 -2.3435 -2.3249 -2.2672 -2.2623 -1.9745 -1.9508 -1.6085 -1.5881 -1.5507 -1.5362 -1.4114 -1.4007 -0.9865 -0.9737 -0.7805 -0.7674 -0.7470 -0.7318 -0.5804 -0.5782 -0.1360 -0.1218 -0.1078 -0.0985 -0.0621 -0.0536 4.8812 4.8831 4.8970 4.9022 5.2842 5.2890 6.0586 6.0599 6.1025 6.1041 6.6394 6.6400 k =-0.3857 0.2090 0.4387 ( 10584 PWs) bands (ev): -13.9968 -13.9968 -13.9709 -13.9709 -13.8805 -13.8805 -13.7612 -13.7611 -8.0618 -8.0617 -6.9185 -6.9182 -6.5252 -6.5249 -6.4975 -6.4970 -4.5732 -4.5712 -3.4123 -3.4047 -3.2089 -3.2060 -3.1616 -3.1529 -2.9740 -2.9677 -2.7755 -2.7658 -2.5209 -2.5160 -2.3579 -2.3387 -2.2704 -2.2649 -1.9632 -1.9383 -1.6097 -1.5903 -1.5449 -1.5292 -1.3914 -1.3811 -0.9795 -0.9658 -0.7818 -0.7670 -0.7395 -0.7230 -0.5814 -0.5790 -0.1324 -0.1176 -0.0984 -0.0872 -0.0526 -0.0441 4.8568 4.8589 4.8766 4.8819 5.3094 5.3144 6.0660 6.0681 6.0964 6.0973 6.6312 6.6318 k =-0.3714 0.2012 0.4224 ( 10580 PWs) bands (ev): -14.0007 -14.0007 -13.9685 -13.9685 -13.8778 -13.8777 -13.7627 -13.7627 -8.0543 -8.0542 -6.9134 -6.9130 -6.5339 -6.5337 -6.4993 -6.4988 -4.5776 -4.5755 -3.4155 -3.4069 -3.2284 -3.2234 -3.1744 -3.1642 -2.9656 -2.9593 -2.7677 -2.7580 -2.5354 -2.5295 -2.3714 -2.3518 -2.2749 -2.2689 -1.9517 -1.9262 -1.6105 -1.5922 -1.5377 -1.5209 -1.3724 -1.3624 -0.9716 -0.9574 -0.7830 -0.7664 -0.7313 -0.7138 -0.5825 -0.5800 -0.1284 -0.1135 -0.0873 -0.0748 -0.0410 -0.0330 4.8320 4.8344 4.8554 4.8607 5.3346 5.3399 6.0623 6.0652 6.1011 6.1018 6.6232 6.6238 k =-0.3571 0.1935 0.4062 ( 10577 PWs) bands (ev): -14.0047 -14.0047 -13.9659 -13.9659 -13.8749 -13.8748 -13.7644 -13.7644 -8.0461 -8.0460 -6.9078 -6.9074 -6.5436 -6.5433 -6.5013 -6.5008 -4.5828 -4.5805 -3.4181 -3.4086 -3.2469 -3.2400 -3.1855 -3.1740 -2.9579 -2.9514 -2.7624 -2.7531 -2.5504 -2.5437 -2.3837 -2.3641 -2.2807 -2.2742 -1.9404 -1.9147 -1.6113 -1.5942 -1.5288 -1.5112 -1.3547 -1.3449 -0.9630 -0.9486 -0.7840 -0.7656 -0.7226 -0.7044 -0.5837 -0.5812 -0.1238 -0.1094 -0.0749 -0.0614 -0.0277 -0.0202 4.8075 4.8102 4.8339 4.8391 5.3592 5.3646 6.0510 6.0541 6.1132 6.1144 6.6155 6.6160 k =-0.3429 0.1857 0.3899 ( 10569 PWs) bands (ev): -14.0090 -14.0090 -13.9631 -13.9631 -13.8718 -13.8718 -13.7663 -13.7662 -8.0373 -8.0372 -6.9019 -6.9015 -6.5540 -6.5537 -6.5034 -6.5029 -4.5887 -4.5863 -3.4199 -3.4095 -3.2641 -3.2556 -3.1948 -3.1822 -2.9507 -2.9440 -2.7600 -2.7512 -2.5659 -2.5584 -2.3947 -2.3752 -2.2880 -2.2809 -1.9295 -1.9041 -1.6124 -1.5965 -1.5183 -1.5001 -1.3385 -1.3288 -0.9539 -0.9398 -0.7846 -0.7643 -0.7136 -0.6951 -0.5852 -0.5826 -0.1187 -0.1051 -0.0610 -0.0469 -0.0127 -0.0059 4.7837 4.7868 4.8125 4.8177 5.3821 5.3878 6.0378 6.0411 6.1273 6.1289 6.6082 6.6086 k =-0.3286 0.1780 0.3737 ( 10559 PWs) bands (ev): -14.0134 -14.0134 -13.9600 -13.9600 -13.8687 -13.8687 -13.7682 -13.7682 -8.0280 -8.0278 -6.8958 -6.8953 -6.5651 -6.5647 -6.5057 -6.5051 -4.5954 -4.5928 -3.4207 -3.4094 -3.2797 -3.2698 -3.2023 -3.1887 -2.9442 -2.9372 -2.7603 -2.7523 -2.5814 -2.5733 -2.4046 -2.3853 -2.2965 -2.2889 -1.9192 -1.8943 -1.6140 -1.5994 -1.5062 -1.4876 -1.3239 -1.3142 -0.9447 -0.9313 -0.7847 -0.7624 -0.7047 -0.6859 -0.5869 -0.5843 -0.1132 -0.1004 -0.0459 -0.0314 0.0038 0.0098 4.7609 4.7644 4.7921 4.7972 5.4024 5.4084 6.0247 6.0282 6.1413 6.1433 6.6003 6.6010 k =-0.3143 0.1703 0.3574 ( 10565 PWs) bands (ev): -14.0180 -14.0179 -13.9568 -13.9568 -13.8656 -13.8655 -13.7704 -13.7703 -8.0181 -8.0179 -6.8894 -6.8890 -6.5768 -6.5765 -6.5082 -6.5076 -4.6028 -4.6002 -3.4204 -3.4082 -3.2934 -3.2823 -3.2080 -3.1936 -2.9383 -2.9308 -2.7634 -2.7562 -2.5967 -2.5883 -2.4137 -2.3948 -2.3063 -2.2982 -1.9097 -1.8855 -1.6165 -1.6030 -1.4927 -1.4739 -1.3109 -1.3013 -0.9357 -0.9234 -0.7840 -0.7597 -0.6959 -0.6771 -0.5889 -0.5861 -0.1070 -0.0953 -0.0294 -0.0148 0.0215 0.0269 4.7392 4.7430 4.7735 4.7783 5.4191 5.4254 6.0129 6.0164 6.1539 6.1564 6.5868 6.5892 k =-0.3000 0.1625 0.3412 ( 10563 PWs) bands (ev): -14.0226 -14.0226 -13.9535 -13.9535 -13.8623 -13.8623 -13.7726 -13.7726 -8.0079 -8.0077 -6.8830 -6.8825 -6.5891 -6.5887 -6.5107 -6.5101 -4.6110 -4.6083 -3.4186 -3.4057 -3.3050 -3.2930 -3.2118 -3.1968 -2.9331 -2.9250 -2.7689 -2.7625 -2.6115 -2.6031 -2.4225 -2.4039 -2.3172 -2.3087 -1.9009 -1.8776 -1.6199 -1.6075 -1.4781 -1.4592 -1.2996 -1.2898 -0.9272 -0.9164 -0.7825 -0.7561 -0.6874 -0.6689 -0.5912 -0.5882 -0.1004 -0.0897 -0.0118 0.0027 0.0403 0.0451 4.7186 4.7226 4.7575 4.7620 5.4313 5.4379 6.0030 6.0067 6.1642 6.1672 6.5566 6.5604 k =-0.2857 0.1548 0.3250 ( 10553 PWs) bands (ev): -14.0272 -14.0272 -13.9500 -13.9500 -13.8591 -13.8590 -13.7749 -13.7749 -7.9973 -7.9971 -6.8765 -6.8760 -6.6018 -6.6015 -6.5134 -6.5127 -4.6199 -4.6171 -3.4154 -3.4017 -3.3144 -3.3016 -3.2138 -3.1983 -2.9288 -2.9198 -2.7765 -2.7704 -2.6256 -2.6174 -2.4314 -2.4132 -2.3290 -2.3203 -1.8928 -1.8705 -1.6244 -1.6131 -1.4626 -1.4438 -1.2897 -1.2798 -0.9198 -0.9107 -0.7800 -0.7515 -0.6796 -0.6613 -0.5939 -0.5906 -0.0932 -0.0836 0.0070 0.0212 0.0599 0.0642 4.6992 4.7032 4.7449 4.7489 5.4382 5.4451 5.9957 5.9995 6.1710 6.1746 6.5204 6.5239 k =-0.2714 0.1471 0.3087 ( 10539 PWs) bands (ev): -14.0319 -14.0319 -13.9463 -13.9463 -13.8558 -13.8558 -13.7774 -13.7773 -7.9865 -7.9863 -6.8700 -6.8694 -6.6150 -6.6146 -6.5161 -6.5154 -4.6294 -4.6267 -3.4106 -3.3963 -3.3213 -3.3079 -3.2141 -3.1981 -2.9254 -2.9154 -2.7858 -2.7792 -2.6390 -2.6312 -2.4410 -2.4232 -2.3417 -2.3329 -1.8854 -1.8642 -1.6300 -1.6198 -1.4466 -1.4281 -1.2812 -1.2710 -0.9137 -0.9065 -0.7763 -0.7459 -0.6724 -0.6546 -0.5969 -0.5931 -0.0854 -0.0769 0.0267 0.0405 0.0801 0.0841 4.6811 4.6850 4.7360 4.7395 5.4391 5.4463 5.9914 5.9953 6.1731 6.1774 6.4859 6.4887 k =-0.2571 0.1393 0.2925 ( 10535 PWs) bands (ev): -14.0366 -14.0366 -13.9426 -13.9426 -13.8526 -13.8525 -13.7799 -13.7799 -7.9755 -7.9753 -6.8635 -6.8629 -6.6283 -6.6280 -6.5188 -6.5182 -4.6396 -4.6369 -3.4040 -3.3893 -3.3257 -3.3118 -3.2126 -3.1963 -2.9234 -2.9120 -2.7961 -2.7881 -2.6516 -2.6442 -2.4517 -2.4345 -2.3551 -2.3464 -1.8785 -1.8585 -1.6369 -1.6277 -1.4305 -1.4123 -1.2738 -1.2632 -0.9091 -0.9037 -0.7714 -0.7393 -0.6661 -0.6487 -0.6002 -0.5959 -0.0773 -0.0696 0.0474 0.0607 0.1008 0.1044 4.6648 4.6685 4.7309 4.7339 5.4339 5.4412 5.9900 5.9939 6.1693 6.1743 6.4552 6.4571 k =-0.2429 0.1316 0.2762 ( 10541 PWs) bands (ev): -14.0412 -14.0412 -13.9388 -13.9388 -13.8493 -13.8493 -13.7825 -13.7824 -7.9645 -7.9643 -6.8571 -6.8566 -6.6419 -6.6415 -6.5216 -6.5210 -4.6503 -4.6476 -3.3958 -3.3808 -3.3275 -3.3134 -3.2095 -3.1929 -2.9230 -2.9102 -2.8065 -2.7966 -2.6632 -2.6562 -2.4638 -2.4473 -2.3691 -2.3606 -1.8721 -1.8533 -1.6451 -1.6367 -1.4146 -1.3970 -1.2674 -1.2563 -0.9064 -0.9024 -0.7654 -0.7320 -0.6608 -0.6437 -0.6037 -0.5987 -0.0687 -0.0619 0.0688 0.0815 0.1217 0.1251 4.6505 4.6541 4.7295 4.7320 5.4227 5.4301 5.9911 5.9950 6.1589 6.1644 6.4292 6.4302 k =-0.2286 0.1238 0.2600 ( 10535 PWs) bands (ev): -14.0457 -14.0457 -13.9350 -13.9350 -13.8462 -13.8462 -13.7851 -13.7851 -7.9535 -7.9532 -6.8509 -6.8504 -6.6555 -6.6551 -6.5244 -6.5238 -4.6614 -4.6588 -3.3857 -3.3707 -3.3265 -3.3124 -3.2050 -3.1881 -2.9246 -2.9103 -2.8160 -2.8041 -2.6740 -2.6673 -2.4774 -2.4618 -2.3836 -2.3756 -1.8662 -1.8485 -1.6543 -1.6468 -1.3994 -1.3824 -1.2617 -1.2502 -0.9053 -0.9024 -0.7585 -0.7242 -0.6564 -0.6397 -0.6074 -0.6016 -0.0599 -0.0537 0.0907 0.1028 0.1428 0.1459 4.6388 4.6422 4.7315 4.7336 5.4059 5.4133 5.9938 5.9973 6.1421 6.1479 6.4084 6.4087 k =-0.2143 0.1161 0.2437 ( 10539 PWs) bands (ev): -14.0501 -14.0501 -13.9311 -13.9311 -13.8431 -13.8431 -13.7878 -13.7877 -7.9426 -7.9423 -6.8449 -6.8443 -6.6691 -6.6687 -6.5273 -6.5266 -4.6728 -4.6703 -3.3739 -3.3593 -3.3228 -3.3091 -3.1990 -3.1820 -2.9284 -2.9129 -2.8239 -2.8102 -2.6838 -2.6772 -2.4927 -2.4781 -2.3987 -2.3913 -1.8605 -1.8439 -1.6646 -1.6578 -1.3852 -1.3690 -1.2567 -1.2446 -0.9058 -0.9036 -0.7509 -0.7160 -0.6529 -0.6368 -0.6112 -0.6045 -0.0509 -0.0452 0.1131 0.1246 0.1637 0.1665 4.6299 4.6331 4.7366 4.7384 5.3842 5.3916 5.9960 5.9990 6.1209 6.1266 6.3921 6.3926 k =-0.2000 0.1084 0.2275 ( 10525 PWs) bands (ev): -14.0544 -14.0544 -13.9272 -13.9272 -13.8401 -13.8401 -13.7905 -13.7904 -7.9319 -7.9316 -6.8391 -6.8385 -6.6825 -6.6821 -6.5300 -6.5294 -4.6844 -4.6820 -3.3604 -3.3466 -3.3162 -3.3033 -3.1917 -3.1746 -2.9343 -2.9179 -2.8299 -2.8151 -2.6925 -2.6859 -2.5094 -2.4959 -2.4145 -2.4078 -1.8551 -1.8396 -1.6758 -1.6697 -1.3723 -1.3570 -1.2522 -1.2396 -0.9077 -0.9058 -0.7428 -0.7077 -0.6504 -0.6349 -0.6149 -0.6071 -0.0418 -0.0366 0.1358 0.1465 0.1843 0.1869 4.6241 4.6272 4.7445 4.7460 5.3584 5.3656 5.9943 5.9966 6.0997 6.1047 6.3798 6.3806 k =-0.1857 0.1006 0.2112 ( 10537 PWs) bands (ev): -14.0585 -14.0585 -13.9234 -13.9234 -13.8372 -13.8372 -13.7932 -13.7931 -7.9214 -7.9212 -6.8335 -6.8329 -6.6956 -6.6953 -6.5328 -6.5321 -4.6960 -4.6938 -3.3453 -3.3329 -3.3067 -3.2954 -3.1832 -3.1663 -2.9420 -2.9252 -2.8344 -2.8189 -2.7000 -2.6934 -2.5275 -2.5151 -2.4311 -2.4251 -1.8499 -1.8354 -1.6877 -1.6822 -1.3608 -1.3465 -1.2483 -1.2353 -0.9107 -0.9089 -0.7346 -0.6995 -0.6487 -0.6340 -0.6183 -0.6094 -0.0328 -0.0278 0.1585 0.1684 0.2044 0.2068 4.6215 4.6245 4.7547 4.7560 5.3291 5.3362 5.9824 5.9855 6.0846 6.0891 6.3706 6.3715 k =-0.1714 0.0929 0.1950 ( 10549 PWs) bands (ev): -14.0624 -14.0624 -13.9196 -13.9196 -13.8345 -13.8345 -13.7958 -13.7958 -7.9114 -7.9112 -6.8282 -6.8276 -6.7083 -6.7080 -6.5355 -6.5349 -4.7076 -4.7055 -3.3286 -3.3182 -3.2947 -3.2853 -3.1737 -3.1571 -2.9507 -2.9340 -2.8379 -2.8222 -2.7065 -2.6998 -2.5465 -2.5352 -2.4484 -2.4431 -1.8449 -1.8313 -1.7000 -1.6950 -1.3508 -1.3375 -1.2449 -1.2318 -0.9145 -0.9127 -0.7263 -0.6916 -0.6477 -0.6342 -0.6213 -0.6112 -0.0238 -0.0191 0.1809 0.1901 0.2238 0.2261 4.6223 4.6252 4.7668 4.7680 5.2972 5.3040 5.9578 5.9622 6.0794 6.0841 6.3637 6.3646 k =-0.1571 0.0851 0.1787 ( 10539 PWs) bands (ev): -14.0661 -14.0661 -13.9159 -13.9159 -13.8319 -13.8319 -13.7985 -13.7985 -7.9018 -7.9016 -6.8231 -6.8226 -6.7205 -6.7202 -6.5381 -6.5375 -4.7189 -4.7169 -3.3106 -3.3026 -3.2804 -3.2734 -3.1632 -3.1472 -2.9597 -2.9434 -2.8411 -2.8256 -2.7121 -2.7054 -2.5661 -2.5559 -2.4665 -2.4617 -1.8400 -1.8274 -1.7124 -1.7079 -1.3423 -1.3302 -1.2423 -1.2292 -0.9188 -0.9170 -0.7182 -0.6841 -0.6474 -0.6353 -0.6237 -0.6124 -0.0152 -0.0106 0.2029 0.2114 0.2425 0.2445 4.6265 4.6293 4.7803 4.7813 5.2632 5.2698 5.9248 5.9296 6.0819 6.0867 6.3584 6.3594 k =-0.1429 0.0774 0.1625 ( 10543 PWs) bands (ev): -14.0696 -14.0696 -13.9123 -13.9123 -13.8294 -13.8294 -13.8011 -13.8011 -7.8927 -7.8925 -6.8184 -6.8179 -6.7321 -6.7318 -6.5406 -6.5400 -4.7298 -4.7280 -3.2914 -3.2859 -3.2644 -3.2598 -3.1519 -3.1370 -2.9683 -2.9529 -2.8445 -2.8295 -2.7177 -2.7110 -2.5860 -2.5767 -2.4848 -2.4804 -1.8354 -1.8236 -1.7246 -1.7207 -1.3352 -1.3242 -1.2405 -1.2277 -0.9234 -0.9217 -0.7102 -0.6771 -0.6475 -0.6371 -0.6255 -0.6132 -0.0068 -0.0025 0.2243 0.2319 0.2602 0.2619 4.6340 4.6368 4.7947 4.7955 5.2278 5.2340 5.8879 5.8927 6.0882 6.0928 6.3546 6.3554 k =-0.1286 0.0697 0.1462 ( 10545 PWs) bands (ev): -14.0728 -14.0728 -13.9088 -13.9088 -13.8272 -13.8272 -13.8036 -13.8036 -7.8843 -7.8841 -6.8140 -6.8136 -6.7430 -6.7427 -6.5430 -6.5425 -4.7401 -4.7385 -3.2716 -3.2683 -3.2476 -3.2446 -3.1400 -3.1268 -2.9757 -2.9616 -2.8481 -2.8338 -2.7241 -2.7173 -2.6058 -2.5974 -2.5029 -2.4987 -1.8309 -1.8201 -1.7363 -1.7329 -1.3294 -1.3196 -1.2396 -1.2275 -0.9281 -0.9266 -0.7025 -0.6708 -0.6480 -0.6393 -0.6267 -0.6136 0.0011 0.0052 0.2446 0.2513 0.2768 0.2783 4.6449 4.6475 4.8094 4.8101 5.1913 5.1973 5.8500 5.8545 6.0960 6.1003 6.3519 6.3527 k =-0.1143 0.0619 0.1300 ( 10533 PWs) bands (ev): -14.0757 -14.0757 -13.9056 -13.9056 -13.8251 -13.8251 -13.8060 -13.8060 -7.8765 -7.8763 -6.8100 -6.8096 -6.7530 -6.7528 -6.5452 -6.5448 -4.7499 -4.7484 -3.2516 -3.2497 -3.2307 -3.2277 -3.1278 -3.1172 -2.9808 -2.9689 -2.8518 -2.8384 -2.7326 -2.7255 -2.6257 -2.6178 -2.5197 -2.5155 -1.8268 -1.8169 -1.7471 -1.7444 -1.3248 -1.3161 -1.2398 -1.2286 -0.9327 -0.9314 -0.6952 -0.6653 -0.6487 -0.6414 -0.6274 -0.6138 0.0085 0.0123 0.2636 0.2695 0.2923 0.2934 4.6588 4.6615 4.8240 4.8246 5.1543 5.1599 5.8128 5.8169 6.1040 6.1080 6.3504 6.3511 k =-0.1000 0.0542 0.1137 ( 10539 PWs) bands (ev): -14.0783 -14.0783 -13.9025 -13.9025 -13.8233 -13.8233 -13.8083 -13.8083 -7.8695 -7.8693 -6.8064 -6.8060 -6.7621 -6.7619 -6.5473 -6.5469 -4.7588 -4.7575 -3.2322 -3.2305 -3.2139 -3.2097 -3.1162 -3.1090 -2.9827 -2.9736 -2.8554 -2.8429 -2.7440 -2.7363 -2.6462 -2.6384 -2.5340 -2.5295 -1.8231 -1.8142 -1.7568 -1.7546 -1.3212 -1.3135 -1.2408 -1.2308 -0.9370 -0.9359 -0.6882 -0.6607 -0.6496 -0.6434 -0.6276 -0.6139 0.0153 0.0187 0.2811 0.2860 0.3064 0.3072 4.6758 4.6784 4.8380 4.8386 5.1169 5.1222 5.7776 5.7812 6.1116 6.1152 6.3499 6.3505 k =-0.0857 0.0464 0.0975 ( 10535 PWs) bands (ev): -14.0806 -14.0806 -13.8998 -13.8998 -13.8216 -13.8216 -13.8104 -13.8104 -7.8633 -7.8631 -6.8031 -6.8028 -6.7702 -6.7700 -6.5492 -6.5488 -4.7667 -4.7657 -3.2138 -3.2112 -3.1972 -3.1916 -3.1073 -3.1020 -2.9811 -2.9739 -2.8584 -2.8471 -2.7583 -2.7499 -2.6680 -2.6600 -2.5445 -2.5401 -1.8201 -1.8122 -1.7650 -1.7634 -1.3184 -1.3118 -1.2426 -1.2339 -0.9409 -0.9401 -0.6817 -0.6572 -0.6504 -0.6450 -0.6273 -0.6140 0.0214 0.0244 0.2968 0.3007 0.3192 0.3195 4.6955 4.6982 4.8510 4.8515 5.0797 5.0846 5.7452 5.7483 6.1184 6.1215 6.3504 6.3509 k =-0.0714 0.0387 0.0812 ( 10539 PWs) bands (ev): -14.0826 -14.0826 -13.8973 -13.8973 -13.8202 -13.8202 -13.8122 -13.8122 -7.8579 -7.8578 -6.8004 -6.8001 -6.7772 -6.7770 -6.5508 -6.5505 -4.7737 -4.7728 -3.1969 -3.1924 -3.1812 -3.1737 -3.1040 -3.0952 -2.9764 -2.9671 -2.8605 -2.8503 -2.7748 -2.7659 -2.6913 -2.6836 -2.5512 -2.5470 -1.8178 -1.8111 -1.7714 -1.7705 -1.3163 -1.3108 -1.2448 -1.2376 -0.9443 -0.9437 -0.6756 -0.6549 -0.6513 -0.6462 -0.6263 -0.6141 0.0267 0.0293 0.3103 0.3132 0.3304 0.3305 4.7177 4.7205 4.8626 4.8630 5.0428 5.0474 5.7164 5.7191 6.1241 6.1268 6.3516 6.3520 k =-0.0571 0.0310 0.0650 ( 10531 PWs) bands (ev): -14.0842 -14.0842 -13.8952 -13.8952 -13.8191 -13.8191 -13.8139 -13.8139 -7.8535 -7.8534 -6.7980 -6.7978 -6.7829 -6.7828 -6.5522 -6.5520 -4.7795 -4.7788 -3.1816 -3.1747 -3.1662 -3.1570 -3.1050 -3.0913 -2.9675 -2.9541 -2.8610 -2.8520 -2.7924 -2.7831 -2.7161 -2.7089 -2.5545 -2.5509 -1.8164 -1.8111 -1.7759 -1.7755 -1.3148 -1.3103 -1.2471 -1.2414 -0.9472 -0.9467 -0.6701 -0.6538 -0.6520 -0.6472 -0.6249 -0.6143 0.0312 0.0334 0.3214 0.3235 0.3397 0.3400 4.7422 4.7450 4.8724 4.8729 5.0065 5.0107 5.6920 5.6941 6.1287 6.1309 6.3534 6.3537 k =-0.0429 0.0232 0.0487 ( 10549 PWs) bands (ev): -14.0855 -14.0855 -13.8935 -13.8935 -13.8182 -13.8181 -13.8152 -13.8152 -7.8500 -7.8499 -6.7963 -6.7961 -6.7875 -6.7873 -6.5534 -6.5532 -4.7841 -4.7835 -3.1679 -3.1591 -3.1529 -3.1424 -3.1087 -3.0912 -2.9538 -2.9371 -2.8599 -2.8516 -2.8097 -2.8005 -2.7412 -2.7353 -2.5555 -2.5527 -1.8159 -1.8120 -1.7788 -1.7785 -1.3137 -1.3103 -1.2492 -1.2450 -0.9494 -0.9490 -0.6651 -0.6535 -0.6526 -0.6481 -0.6232 -0.6148 0.0348 0.0365 0.3301 0.3315 0.3473 0.3477 4.7684 4.7714 4.8802 4.8808 4.9713 4.9751 5.6724 5.6740 6.1322 6.1339 6.3553 6.3555 k =-0.0286 0.0155 0.0325 ( 10545 PWs) bands (ev): -14.0864 -14.0864 -13.8922 -13.8922 -13.8175 -13.8175 -13.8162 -13.8162 -7.8474 -7.8474 -6.7951 -6.7950 -6.7905 -6.7904 -6.5542 -6.5540 -4.7874 -4.7870 -3.1557 -3.1464 -3.1421 -3.1315 -3.1131 -3.0945 -2.9368 -2.9193 -2.8572 -2.8490 -2.8245 -2.8167 -2.7652 -2.7609 -2.5553 -2.5534 -1.8159 -1.8133 -1.7804 -1.7800 -1.3129 -1.3106 -1.2508 -1.2480 -0.9510 -0.9508 -0.6607 -0.6536 -0.6531 -0.6494 -0.6213 -0.6156 0.0375 0.0386 0.3363 0.3371 0.3529 0.3534 4.7959 4.7989 4.8856 4.8864 4.9379 4.9410 5.6582 5.6593 6.1347 6.1358 6.3570 6.3571 k =-0.0143 0.0077 0.0162 ( 10541 PWs) bands (ev): -14.0869 -14.0869 -13.8914 -13.8914 -13.8171 -13.8171 -13.8168 -13.8168 -7.8459 -7.8459 -6.7948 -6.7948 -6.7920 -6.7919 -6.5546 -6.5546 -4.7893 -4.7892 -3.1448 -3.1376 -3.1352 -3.1286 -3.1132 -3.1001 -2.9195 -2.9063 -2.8544 -2.8458 -2.8321 -2.8290 -2.7848 -2.7826 -2.5547 -2.5538 -1.8158 -1.8146 -1.7810 -1.7807 -1.3123 -1.3111 -1.2515 -1.2501 -0.9519 -0.9518 -0.6570 -0.6537 -0.6534 -0.6513 -0.6195 -0.6166 0.0393 0.0398 0.3401 0.3404 0.3565 0.3568 4.8228 4.8256 4.8872 4.8888 4.9095 4.9111 5.6496 5.6502 6.1363 6.1368 6.3581 6.3582 k = 0.0000 0.0000 0.0000 ( 10519 PWs) bands (ev): -14.0871 -14.0871 -13.8912 -13.8912 -13.8170 -13.8170 -13.8169 -13.8169 -7.8454 -7.8454 -6.7949 -6.7949 -6.7922 -6.7922 -6.5548 -6.5548 -4.7899 -4.7899 -3.1359 -3.1359 -3.1328 -3.1328 -3.1069 -3.1069 -2.9067 -2.9067 -2.8497 -2.8497 -2.8321 -2.8321 -2.7930 -2.7930 -2.5541 -2.5541 -1.8155 -1.8155 -1.7810 -1.7810 -1.3116 -1.3116 -1.2513 -1.2513 -0.9522 -0.9522 -0.6541 -0.6541 -0.6533 -0.6533 -0.6180 -0.6180 0.0401 0.0401 0.3414 0.3414 0.3578 0.3578 4.8396 4.8396 4.8841 4.8841 4.8987 4.8987 5.6469 5.6469 6.1370 6.1370 6.3586 6.3586 k = 0.0000 0.0000 0.0000 ( 10519 PWs) bands (ev): -14.0871 -14.0871 -13.8912 -13.8912 -13.8170 -13.8170 -13.8169 -13.8169 -7.8454 -7.8454 -6.7949 -6.7949 -6.7922 -6.7922 -6.5548 -6.5548 -4.7899 -4.7899 -3.1359 -3.1359 -3.1328 -3.1328 -3.1069 -3.1069 -2.9067 -2.9067 -2.8497 -2.8497 -2.8321 -2.8321 -2.7930 -2.7930 -2.5541 -2.5541 -1.8155 -1.8155 -1.7810 -1.7810 -1.3116 -1.3116 -1.2513 -1.2513 -0.9522 -0.9522 -0.6541 -0.6541 -0.6533 -0.6533 -0.6180 -0.6180 0.0401 0.0401 0.3414 0.3414 0.3578 0.3578 4.8396 4.8396 4.8841 4.8841 4.8987 4.8987 5.6469 5.6469 6.1370 6.1370 6.3586 6.3586 k = 0.0110 0.0203 0.0000 ( 10535 PWs) bands (ev): -14.0869 -14.0869 -13.8910 -13.8910 -13.8172 -13.8172 -13.8171 -13.8171 -7.8455 -7.8455 -6.7946 -6.7946 -6.7919 -6.7919 -6.5560 -6.5560 -4.7891 -4.7891 -3.1365 -3.1365 -3.1330 -3.1330 -3.1074 -3.1074 -2.9091 -2.9091 -2.8483 -2.8483 -2.8304 -2.8304 -2.7906 -2.7905 -2.5528 -2.5528 -1.8156 -1.8156 -1.7812 -1.7812 -1.3136 -1.3136 -1.2513 -1.2513 -0.9518 -0.9518 -0.6546 -0.6546 -0.6536 -0.6536 -0.6190 -0.6190 0.0396 0.0396 0.3410 0.3410 0.3573 0.3573 4.8403 4.8403 4.8853 4.8853 4.8999 4.8999 5.6483 5.6483 6.1369 6.1369 6.3588 6.3588 k = 0.0220 0.0407 0.0000 ( 10535 PWs) bands (ev): -14.0862 -14.0862 -13.8905 -13.8905 -13.8178 -13.8178 -13.8177 -13.8177 -7.8458 -7.8458 -6.7936 -6.7936 -6.7910 -6.7910 -6.5597 -6.5597 -4.7865 -4.7865 -3.1381 -3.1381 -3.1336 -3.1336 -3.1086 -3.1086 -2.9157 -2.9157 -2.8437 -2.8437 -2.8256 -2.8256 -2.7840 -2.7840 -2.5488 -2.5488 -1.8159 -1.8159 -1.7816 -1.7816 -1.3194 -1.3194 -1.2514 -1.2514 -0.9506 -0.9506 -0.6562 -0.6562 -0.6546 -0.6546 -0.6221 -0.6221 0.0381 0.0381 0.3395 0.3395 0.3559 0.3559 4.8425 4.8425 4.8888 4.8888 4.9034 4.9034 5.6525 5.6525 6.1367 6.1367 6.3592 6.3592 k = 0.0331 0.0610 0.0000 ( 10559 PWs) bands (ev): -14.0851 -14.0851 -13.8897 -13.8897 -13.8188 -13.8188 -13.8188 -13.8188 -7.8463 -7.8463 -6.7920 -6.7920 -6.7894 -6.7894 -6.5657 -6.5657 -4.7823 -4.7823 -3.1404 -3.1404 -3.1348 -3.1348 -3.1107 -3.1107 -2.9251 -2.9251 -2.8360 -2.8360 -2.8177 -2.8177 -2.7749 -2.7749 -2.5421 -2.5421 -1.8164 -1.8164 -1.7823 -1.7823 -1.3288 -1.3288 -1.2516 -1.2516 -0.9486 -0.9486 -0.6587 -0.6587 -0.6565 -0.6565 -0.6271 -0.6271 0.0357 0.0357 0.3371 0.3371 0.3534 0.3534 4.8461 4.8461 4.8946 4.8946 4.9092 4.9092 5.6593 5.6593 6.1365 6.1365 6.3597 6.3597 k = 0.0441 0.0814 0.0000 ( 10563 PWs) bands (ev): -14.0836 -14.0836 -13.8886 -13.8886 -13.8202 -13.8202 -13.8202 -13.8202 -7.8470 -7.8470 -6.7898 -6.7898 -6.7871 -6.7871 -6.5740 -6.5740 -4.7766 -4.7766 -3.1432 -3.1432 -3.1365 -3.1365 -3.1135 -3.1134 -2.9359 -2.9359 -2.8252 -2.8252 -2.8071 -2.8071 -2.7648 -2.7648 -2.5328 -2.5328 -1.8171 -1.8171 -1.7831 -1.7831 -1.3414 -1.3414 -1.2523 -1.2523 -0.9458 -0.9458 -0.6624 -0.6624 -0.6591 -0.6591 -0.6337 -0.6337 0.0323 0.0323 0.3337 0.3337 0.3500 0.3500 4.8511 4.8511 4.9027 4.9027 4.9173 4.9173 5.6685 5.6685 6.1363 6.1363 6.3597 6.3597 k = 0.0551 0.1017 0.0000 ( 10547 PWs) bands (ev): -14.0816 -14.0816 -13.8872 -13.8872 -13.8220 -13.8220 -13.8219 -13.8219 -7.8479 -7.8479 -6.7870 -6.7870 -6.7843 -6.7843 -6.5843 -6.5843 -4.7694 -4.7694 -3.1464 -3.1464 -3.1385 -3.1385 -3.1169 -3.1169 -2.9471 -2.9471 -2.8117 -2.8117 -2.7940 -2.7940 -2.7546 -2.7546 -2.5211 -2.5211 -1.8179 -1.8179 -1.7842 -1.7842 -1.3571 -1.3571 -1.2536 -1.2536 -0.9423 -0.9423 -0.6675 -0.6675 -0.6625 -0.6624 -0.6415 -0.6415 0.0280 0.0280 0.3294 0.3294 0.3456 0.3456 4.8578 4.8578 4.9129 4.9129 4.9275 4.9275 5.6800 5.6800 6.1363 6.1363 6.3589 6.3589 k = 0.0661 0.1221 0.0000 ( 10563 PWs) bands (ev): -14.0792 -14.0792 -13.8855 -13.8855 -13.8242 -13.8242 -13.8241 -13.8241 -7.8491 -7.8491 -6.7835 -6.7835 -6.7808 -6.7808 -6.5966 -6.5966 -4.7610 -4.7610 -3.1497 -3.1497 -3.1407 -3.1407 -3.1209 -3.1209 -2.9579 -2.9579 -2.7958 -2.7958 -2.7788 -2.7788 -2.7448 -2.7448 -2.5073 -2.5073 -1.8188 -1.8188 -1.7853 -1.7853 -1.3756 -1.3756 -1.2554 -1.2554 -0.9382 -0.9382 -0.6744 -0.6744 -0.6666 -0.6666 -0.6499 -0.6499 0.0228 0.0228 0.3241 0.3241 0.3402 0.3402 4.8659 4.8659 4.9250 4.9250 4.9397 4.9397 5.6932 5.6932 6.1366 6.1366 6.3567 6.3567 k = 0.0771 0.1424 0.0000 ( 10551 PWs) bands (ev): -14.0764 -14.0764 -13.8834 -13.8834 -13.8267 -13.8267 -13.8266 -13.8266 -7.8505 -7.8505 -6.7794 -6.7794 -6.7767 -6.7767 -6.6106 -6.6106 -4.7514 -4.7514 -3.1530 -3.1530 -3.1430 -3.1430 -3.1254 -3.1254 -2.9680 -2.9680 -2.7778 -2.7778 -2.7618 -2.7617 -2.7356 -2.7356 -2.4917 -2.4917 -1.8196 -1.8196 -1.7865 -1.7865 -1.3965 -1.3965 -1.2579 -1.2579 -0.9337 -0.9337 -0.6834 -0.6834 -0.6714 -0.6714 -0.6580 -0.6580 0.0167 0.0167 0.3179 0.3179 0.3339 0.3339 4.8757 4.8757 4.9390 4.9390 4.9536 4.9536 5.7079 5.7079 6.1375 6.1375 6.3527 6.3527 k = 0.0882 0.1627 0.0000 ( 10551 PWs) bands (ev): -14.0732 -14.0732 -13.8811 -13.8811 -13.8296 -13.8296 -13.8295 -13.8295 -7.8523 -7.8523 -6.7747 -6.7747 -6.7721 -6.7721 -6.6260 -6.6260 -4.7410 -4.7410 -3.1563 -3.1563 -3.1452 -3.1452 -3.1305 -3.1305 -2.9769 -2.9769 -2.7582 -2.7581 -2.7437 -2.7437 -2.7265 -2.7265 -2.4750 -2.4750 -1.8203 -1.8203 -1.7876 -1.7876 -1.4194 -1.4194 -1.2611 -1.2611 -0.9289 -0.9289 -0.6943 -0.6943 -0.6768 -0.6768 -0.6657 -0.6657 0.0098 0.0098 0.3107 0.3107 0.3266 0.3266 4.8870 4.8870 4.9546 4.9546 4.9693 4.9693 5.7236 5.7236 6.1393 6.1393 6.3464 6.3464 k = 0.0992 0.1831 0.0000 ( 10535 PWs) bands (ev): -14.0696 -14.0696 -13.8785 -13.8785 -13.8328 -13.8328 -13.8327 -13.8327 -7.8544 -7.8544 -6.7695 -6.7695 -6.7668 -6.7668 -6.6427 -6.6427 -4.7299 -4.7299 -3.1596 -3.1596 -3.1473 -3.1473 -3.1358 -3.1358 -2.9845 -2.9845 -2.7373 -2.7373 -2.7274 -2.7274 -2.7147 -2.7147 -2.4577 -2.4577 -1.8207 -1.8207 -1.7885 -1.7884 -1.4439 -1.4439 -1.2648 -1.2648 -0.9244 -0.9244 -0.7065 -0.7065 -0.6829 -0.6829 -0.6732 -0.6732 0.0022 0.0022 0.3026 0.3026 0.3184 0.3184 4.8999 4.8999 4.9717 4.9717 4.9863 4.9863 5.7396 5.7396 6.1423 6.1423 6.3375 6.3375 k = 0.1102 0.2034 0.0000 ( 10527 PWs) bands (ev): -14.0656 -14.0656 -13.8757 -13.8757 -13.8363 -13.8363 -13.8363 -13.8363 -7.8568 -7.8568 -6.7636 -6.7636 -6.7610 -6.7610 -6.6603 -6.6603 -4.7182 -4.7182 -3.1630 -3.1630 -3.1490 -3.1490 -3.1412 -3.1412 -2.9907 -2.9907 -2.7201 -2.7200 -2.7126 -2.7126 -2.6962 -2.6962 -2.4407 -2.4407 -1.8208 -1.8208 -1.7891 -1.7891 -1.4695 -1.4695 -1.2692 -1.2692 -0.9206 -0.9206 -0.7190 -0.7190 -0.6895 -0.6895 -0.6805 -0.6805 -0.0061 -0.0061 0.2935 0.2935 0.3093 0.3093 4.9143 4.9143 4.9899 4.9899 5.0044 5.0044 5.7555 5.7555 6.1467 6.1467 6.3260 6.3260 k = 0.1212 0.2238 0.0000 ( 10527 PWs) bands (ev): -14.0613 -14.0613 -13.8726 -13.8726 -13.8402 -13.8402 -13.8401 -13.8401 -7.8596 -7.8596 -6.7573 -6.7573 -6.7546 -6.7546 -6.6786 -6.6786 -4.7062 -4.7062 -3.1668 -3.1668 -3.1506 -3.1506 -3.1460 -3.1460 -2.9956 -2.9956 -2.7123 -2.7123 -2.6902 -2.6902 -2.6743 -2.6742 -2.4246 -2.4246 -1.8204 -1.8204 -1.7892 -1.7892 -1.4956 -1.4956 -1.2742 -1.2742 -0.9182 -0.9182 -0.7307 -0.7307 -0.6966 -0.6966 -0.6881 -0.6881 -0.0150 -0.0150 0.2836 0.2836 0.2992 0.2992 4.9302 4.9302 5.0089 5.0089 5.0234 5.0234 5.7708 5.7708 6.1526 6.1526 6.3120 6.3120 k = 0.1323 0.2441 0.0000 ( 10503 PWs) bands (ev): -14.0566 -14.0566 -13.8692 -13.8692 -13.8443 -13.8443 -13.8443 -13.8443 -7.8628 -7.8628 -6.7504 -6.7504 -6.7477 -6.7477 -6.6974 -6.6974 -4.6941 -4.6941 -3.1716 -3.1716 -3.1524 -3.1524 -3.1491 -3.1491 -2.9990 -2.9990 -2.7065 -2.7065 -2.6663 -2.6663 -2.6510 -2.6510 -2.4102 -2.4102 -1.8195 -1.8195 -1.7889 -1.7889 -1.5215 -1.5215 -1.2798 -1.2798 -0.9180 -0.9180 -0.7405 -0.7405 -0.7041 -0.7041 -0.6958 -0.6958 -0.0244 -0.0244 0.2728 0.2728 0.2882 0.2882 4.9474 4.9474 5.0286 5.0286 5.0430 5.0430 5.7849 5.7849 6.1600 6.1600 6.2958 6.2958 k = 0.1433 0.2645 0.0000 ( 10507 PWs) bands (ev): -14.0517 -14.0517 -13.8656 -13.8656 -13.8487 -13.8487 -13.8487 -13.8486 -7.8665 -7.8665 -6.7430 -6.7430 -6.7404 -6.7404 -6.7164 -6.7164 -4.6819 -4.6819 -3.1776 -3.1776 -3.1543 -3.1543 -3.1503 -3.1503 -3.0012 -3.0012 -2.7013 -2.7013 -2.6418 -2.6418 -2.6271 -2.6271 -2.3985 -2.3985 -1.8178 -1.8178 -1.7879 -1.7879 -1.5465 -1.5465 -1.2859 -1.2859 -0.9207 -0.9207 -0.7474 -0.7474 -0.7120 -0.7120 -0.7037 -0.7037 -0.0341 -0.0341 0.2611 0.2611 0.2764 0.2764 4.9658 4.9658 5.0485 5.0485 5.0628 5.0628 5.7976 5.7976 6.1676 6.1676 6.2790 6.2790 k = 0.1543 0.2848 0.0000 ( 10515 PWs) bands (ev): -14.0464 -14.0464 -13.8619 -13.8619 -13.8533 -13.8533 -13.8533 -13.8533 -7.8707 -7.8707 -6.7356 -6.7356 -6.7350 -6.7350 -6.7325 -6.7325 -4.6698 -4.6698 -3.1847 -3.1847 -3.1555 -3.1555 -3.1504 -3.1504 -3.0022 -3.0022 -2.6964 -2.6964 -2.6171 -2.6171 -2.6029 -2.6029 -2.3902 -2.3902 -1.8153 -1.8153 -1.7861 -1.7861 -1.5699 -1.5699 -1.2926 -1.2926 -0.9266 -0.9266 -0.7510 -0.7510 -0.7202 -0.7202 -0.7119 -0.7119 -0.0442 -0.0442 0.2485 0.2485 0.2637 0.2637 4.9851 4.9851 5.0684 5.0684 5.0825 5.0825 5.8087 5.8087 6.1724 6.1724 6.2651 6.2651 k = 0.1653 0.3051 0.0000 ( 10527 PWs) bands (ev): -14.0409 -14.0409 -13.8582 -13.8582 -13.8581 -13.8581 -13.8579 -13.8579 -7.8754 -7.8754 -6.7543 -6.7543 -6.7269 -6.7269 -6.7243 -6.7243 -4.6579 -4.6579 -3.1927 -3.1927 -3.1557 -3.1557 -3.1499 -3.1499 -3.0020 -3.0020 -2.6918 -2.6918 -2.5923 -2.5923 -2.5786 -2.5786 -2.3859 -2.3859 -1.8119 -1.8119 -1.7834 -1.7834 -1.5912 -1.5912 -1.2998 -1.2998 -0.9358 -0.9358 -0.7513 -0.7513 -0.7285 -0.7284 -0.7200 -0.7200 -0.0545 -0.0545 0.2352 0.2352 0.2502 0.2502 5.0052 5.0052 5.0878 5.0878 5.1018 5.1018 5.8182 5.8182 6.1682 6.1682 6.2605 6.2605 k = 0.1763 0.3255 0.0000 ( 10534 PWs) bands (ev): -14.0351 -14.0351 -13.8632 -13.8632 -13.8632 -13.8632 -13.8538 -13.8538 -7.8806 -7.8806 -6.7727 -6.7727 -6.7182 -6.7182 -6.7156 -6.7156 -4.6464 -4.6464 -3.2012 -3.2012 -3.1552 -3.1552 -3.1488 -3.1488 -3.0008 -3.0008 -2.6874 -2.6874 -2.5678 -2.5678 -2.5545 -2.5545 -2.3863 -2.3863 -1.8074 -1.8074 -1.7797 -1.7797 -1.6100 -1.6100 -1.3075 -1.3075 -0.9473 -0.9473 -0.7492 -0.7492 -0.7366 -0.7366 -0.7278 -0.7278 -0.0647 -0.0647 0.2211 0.2211 0.2359 0.2359 5.0258 5.0258 5.1064 5.1064 5.1202 5.1202 5.8265 5.8265 6.1519 6.1519 6.2687 6.2687 k = 0.1874 0.3458 0.0000 ( 10534 PWs) bands (ev): -14.0291 -14.0291 -13.8684 -13.8684 -13.8684 -13.8684 -13.8495 -13.8495 -7.8863 -7.8863 -6.7905 -6.7905 -6.7091 -6.7091 -6.7065 -6.7065 -4.6352 -4.6352 -3.2101 -3.2101 -3.1539 -3.1539 -3.1473 -3.1473 -2.9987 -2.9987 -2.6831 -2.6831 -2.5437 -2.5437 -2.5308 -2.5308 -2.3916 -2.3916 -1.8019 -1.8019 -1.7750 -1.7750 -1.6260 -1.6260 -1.3154 -1.3154 -0.9605 -0.9605 -0.7489 -0.7489 -0.7428 -0.7428 -0.7333 -0.7333 -0.0749 -0.0749 0.2063 0.2063 0.2209 0.2209 5.0465 5.0465 5.1239 5.1239 5.1374 5.1374 5.8339 5.8339 6.1276 6.1276 6.2859 6.2859 k = 0.1984 0.3662 0.0000 ( 10534 PWs) bands (ev): -14.0229 -14.0229 -13.8738 -13.8738 -13.8737 -13.8737 -13.8451 -13.8451 -7.8926 -7.8926 -6.8077 -6.8077 -6.6997 -6.6997 -6.6971 -6.6971 -4.6245 -4.6245 -3.2193 -3.2193 -3.1521 -3.1521 -3.1454 -3.1454 -2.9957 -2.9957 -2.6791 -2.6791 -2.5203 -2.5203 -2.5078 -2.5078 -2.4017 -2.4017 -1.7951 -1.7951 -1.7691 -1.7691 -1.6394 -1.6394 -1.3235 -1.3235 -0.9743 -0.9743 -0.7556 -0.7556 -0.7484 -0.7484 -0.7308 -0.7307 -0.0849 -0.0849 0.1909 0.1909 0.2053 0.2053 5.0671 5.0671 5.1399 5.1399 5.1532 5.1532 5.8411 5.8411 6.0994 6.0994 6.3081 6.3081 k = 0.2094 0.3865 0.0000 ( 10570 PWs) bands (ev): -14.0166 -14.0166 -13.8792 -13.8792 -13.8792 -13.8792 -13.8406 -13.8406 -7.8994 -7.8994 -6.8239 -6.8239 -6.6900 -6.6900 -6.6874 -6.6874 -4.6144 -4.6144 -3.2287 -3.2287 -3.1497 -3.1497 -3.1431 -3.1431 -2.9920 -2.9920 -2.6755 -2.6755 -2.4977 -2.4977 -2.4856 -2.4856 -2.4163 -2.4163 -1.7872 -1.7872 -1.7621 -1.7621 -1.6507 -1.6507 -1.3315 -1.3315 -0.9881 -0.9881 -0.7636 -0.7636 -0.7559 -0.7559 -0.7234 -0.7234 -0.0944 -0.0944 0.1749 0.1749 0.1891 0.1891 5.0872 5.0872 5.1542 5.1542 5.1671 5.1671 5.8484 5.8484 6.0700 6.0700 6.3331 6.3331 k = 0.2204 0.4069 0.0000 ( 10570 PWs) bands (ev): -14.0101 -14.0101 -13.8848 -13.8848 -13.8848 -13.8848 -13.8360 -13.8360 -7.9068 -7.9068 -6.8392 -6.8392 -6.6801 -6.6801 -6.6775 -6.6775 -4.6049 -4.6049 -3.2383 -3.2383 -3.1469 -3.1469 -3.1404 -3.1404 -2.9877 -2.9877 -2.6725 -2.6725 -2.4762 -2.4762 -2.4647 -2.4647 -2.4342 -2.4342 -1.7781 -1.7781 -1.7540 -1.7540 -1.6605 -1.6605 -1.3393 -1.3393 -1.0011 -1.0011 -0.7716 -0.7716 -0.7636 -0.7636 -0.7146 -0.7146 -0.1034 -0.1034 0.1584 0.1584 0.1723 0.1723 5.1064 5.1064 5.1663 5.1663 5.1789 5.1789 5.8564 5.8564 6.0408 6.0408 6.3598 6.3598 k = 0.2314 0.4272 0.0000 ( 10570 PWs) bands (ev): -14.0035 -14.0035 -13.8904 -13.8904 -13.8904 -13.8904 -13.8314 -13.8314 -7.9146 -7.9146 -6.8535 -6.8535 -6.6699 -6.6699 -6.6673 -6.6673 -4.5959 -4.5959 -3.2479 -3.2479 -3.1438 -3.1438 -3.1374 -3.1374 -2.9827 -2.9827 -2.6706 -2.6706 -2.4602 -2.4602 -2.4533 -2.4533 -2.4419 -2.4419 -1.7679 -1.7679 -1.7448 -1.7448 -1.6697 -1.6697 -1.3466 -1.3466 -1.0131 -1.0131 -0.7792 -0.7792 -0.7711 -0.7711 -0.7052 -0.7052 -0.1118 -0.1118 0.1414 0.1414 0.1552 0.1552 5.1245 5.1245 5.1762 5.1762 5.1883 5.1883 5.8655 5.8655 6.0127 6.0127 6.3874 6.3874 k = 0.2425 0.4475 0.0000 ( 10566 PWs) bands (ev): -13.9968 -13.9968 -13.8961 -13.8961 -13.8960 -13.8960 -13.8267 -13.8267 -7.9230 -7.9230 -6.8666 -6.8666 -6.6595 -6.6595 -6.6570 -6.6570 -4.5876 -4.5876 -3.2577 -3.2577 -3.1402 -3.1402 -3.1341 -3.1341 -2.9773 -2.9773 -2.6705 -2.6705 -2.4794 -2.4794 -2.4357 -2.4357 -2.4242 -2.4242 -1.7568 -1.7568 -1.7349 -1.7349 -1.6788 -1.6788 -1.3532 -1.3532 -1.0237 -1.0236 -0.7864 -0.7864 -0.7782 -0.7782 -0.6955 -0.6955 -0.1193 -0.1193 0.1241 0.1241 0.1376 0.1376 5.1411 5.1411 5.1837 5.1837 5.1952 5.1952 5.8760 5.8760 5.9864 5.9864 6.4156 6.4156 k = 0.2535 0.4679 0.0000 ( 10558 PWs) bands (ev): -13.9901 -13.9901 -13.9017 -13.9017 -13.9017 -13.9017 -13.8219 -13.8219 -7.9318 -7.9318 -6.8786 -6.8786 -6.6491 -6.6491 -6.6465 -6.6465 -4.5800 -4.5800 -3.2674 -3.2674 -3.1364 -3.1364 -3.1306 -3.1306 -2.9715 -2.9715 -2.6733 -2.6733 -2.5007 -2.5007 -2.4177 -2.4177 -2.4066 -2.4066 -1.7450 -1.7450 -1.7248 -1.7248 -1.6881 -1.6881 -1.3591 -1.3591 -1.0326 -1.0326 -0.7929 -0.7929 -0.7847 -0.7847 -0.6858 -0.6858 -0.1260 -0.1260 0.1065 0.1065 0.1198 0.1198 5.1559 5.1559 5.1885 5.1885 5.1995 5.1995 5.8879 5.8879 5.9626 5.9626 6.4441 6.4441 k = 0.2645 0.4882 0.0000 ( 10538 PWs) bands (ev): -13.9834 -13.9834 -13.9073 -13.9073 -13.9073 -13.9073 -13.8172 -13.8172 -7.9410 -7.9410 -6.8893 -6.8893 -6.6385 -6.6385 -6.6360 -6.6360 -4.5731 -4.5731 -3.2772 -3.2772 -3.1324 -3.1324 -3.1268 -3.1268 -2.9654 -2.9654 -2.6804 -2.6804 -2.5192 -2.5192 -2.4009 -2.4009 -2.3902 -2.3902 -1.7332 -1.7332 -1.7168 -1.7168 -1.6952 -1.6952 -1.3644 -1.3644 -1.0397 -1.0397 -0.7988 -0.7988 -0.7904 -0.7904 -0.6762 -0.6762 -0.1316 -0.1316 0.0888 0.0888 0.1019 0.1019 5.1686 5.1686 5.1909 5.1909 5.2011 5.2011 5.9010 5.9010 5.9421 5.9421 6.4731 6.4731 k = 0.2755 0.5086 0.0000 ( 10558 PWs) bands (ev): -13.9766 -13.9766 -13.9129 -13.9129 -13.9129 -13.9129 -13.8125 -13.8125 -7.9505 -7.9505 -6.8990 -6.8990 -6.6280 -6.6280 -6.6254 -6.6254 -4.5669 -4.5669 -3.2869 -3.2869 -3.1281 -3.1281 -3.1229 -3.1229 -2.9591 -2.9591 -2.6932 -2.6932 -2.5330 -2.5330 -2.3854 -2.3854 -2.3750 -2.3750 -1.7280 -1.7280 -1.7134 -1.7134 -1.6921 -1.6921 -1.3694 -1.3694 -1.0451 -1.0451 -0.8038 -0.8038 -0.7954 -0.7954 -0.6668 -0.6668 -0.1362 -0.1362 0.0711 0.0711 0.0839 0.0839 5.1784 5.1784 5.1913 5.1913 5.2001 5.2001 5.9114 5.9114 5.9290 5.9290 6.5028 6.5028 k = 0.2865 0.5289 0.0000 ( 10538 PWs) bands (ev): -13.9700 -13.9700 -13.9184 -13.9184 -13.9184 -13.9184 -13.8079 -13.8079 -7.9602 -7.9602 -6.9074 -6.9074 -6.6174 -6.6174 -6.6149 -6.6149 -4.5615 -4.5615 -3.2965 -3.2965 -3.1237 -3.1237 -3.1189 -3.1189 -2.9525 -2.9525 -2.7119 -2.7119 -2.5410 -2.5410 -2.3712 -2.3712 -2.3611 -2.3611 -1.7389 -1.7389 -1.7025 -1.7025 -1.6816 -1.6816 -1.3743 -1.3743 -1.0487 -1.0487 -0.8079 -0.8079 -0.7995 -0.7995 -0.6577 -0.6577 -0.1396 -0.1396 0.0534 0.0534 0.0659 0.0659 5.1824 5.1824 5.1923 5.1923 5.1971 5.1971 5.9045 5.9045 5.9379 5.9379 6.5332 6.5332 k = 0.2976 0.5493 0.0000 ( 10542 PWs) bands (ev): -13.9634 -13.9634 -13.9238 -13.9238 -13.9238 -13.9238 -13.8033 -13.8033 -7.9702 -7.9702 -6.9148 -6.9148 -6.6070 -6.6070 -6.6045 -6.6045 -4.5568 -4.5568 -3.3059 -3.3059 -3.1192 -3.1192 -3.1147 -3.1147 -2.9459 -2.9459 -2.7354 -2.7354 -2.5439 -2.5439 -2.3581 -2.3581 -2.3485 -2.3485 -1.7551 -1.7551 -1.6893 -1.6893 -1.6695 -1.6695 -1.3795 -1.3795 -1.0507 -1.0507 -0.8110 -0.8110 -0.8027 -0.8027 -0.6489 -0.6489 -0.1418 -0.1418 0.0358 0.0359 0.0481 0.0481 5.1788 5.1788 5.1891 5.1891 5.1989 5.1989 5.8940 5.8940 5.9548 5.9548 6.5648 6.5648 k = 0.3086 0.5696 0.0000 ( 10562 PWs) bands (ev): -13.9570 -13.9570 -13.9291 -13.9291 -13.9291 -13.9291 -13.7989 -13.7989 -7.9802 -7.9802 -6.9211 -6.9211 -6.5967 -6.5967 -6.5942 -6.5942 -4.5528 -4.5528 -3.3152 -3.3152 -3.1146 -3.1146 -3.1105 -3.1105 -2.9392 -2.9392 -2.7620 -2.7620 -2.5429 -2.5429 -2.3463 -2.3463 -2.3370 -2.3370 -1.7734 -1.7734 -1.6760 -1.6760 -1.6571 -1.6571 -1.3853 -1.3853 -1.0512 -1.0512 -0.8130 -0.8130 -0.8049 -0.8049 -0.6405 -0.6405 -0.1429 -0.1429 0.0186 0.0186 0.0306 0.0306 5.1713 5.1713 5.1809 5.1809 5.2031 5.2031 5.8862 5.8862 5.9733 5.9733 6.5974 6.5974 k = 0.3196 0.5899 0.0000 ( 10554 PWs) bands (ev): -13.9507 -13.9507 -13.9343 -13.9342 -13.9342 -13.9342 -13.7945 -13.7945 -7.9903 -7.9903 -6.9263 -6.9263 -6.5866 -6.5866 -6.5841 -6.5841 -4.5496 -4.5496 -3.3241 -3.3241 -3.1100 -3.1100 -3.1061 -3.1061 -2.9325 -2.9325 -2.7902 -2.7902 -2.5393 -2.5393 -2.3355 -2.3355 -2.3266 -2.3266 -1.7930 -1.7930 -1.6630 -1.6630 -1.6450 -1.6450 -1.3919 -1.3919 -1.0503 -1.0503 -0.8141 -0.8141 -0.8060 -0.8060 -0.6325 -0.6325 -0.1428 -0.1428 0.0018 0.0018 0.0135 0.0135 5.1616 5.1616 5.1705 5.1705 5.2061 5.2061 5.8816 5.8816 5.9923 5.9923 6.6307 6.6307 k = 0.3306 0.6103 0.0000 ( 10554 PWs) bands (ev): -13.9445 -13.9445 -13.9392 -13.9392 -13.9392 -13.9392 -13.7903 -13.7903 -8.0003 -8.0003 -6.9307 -6.9307 -6.5767 -6.5767 -6.5742 -6.5742 -4.5472 -4.5472 -3.3326 -3.3326 -3.1054 -3.1054 -3.1018 -3.1018 -2.9260 -2.9260 -2.8188 -2.8188 -2.5340 -2.5340 -2.3258 -2.3258 -2.3173 -2.3173 -1.8133 -1.8133 -1.6505 -1.6505 -1.6333 -1.6333 -1.3994 -1.3994 -1.0484 -1.0484 -0.8141 -0.8141 -0.8062 -0.8062 -0.6250 -0.6250 -0.1417 -0.1417 -0.0144 -0.0144 -0.0030 -0.0030 5.1499 5.1499 5.1583 5.1583 5.2076 5.2076 5.8802 5.8802 6.0114 6.0114 6.6629 6.6629 k = 0.3417 0.6306 0.0000 ( 10570 PWs) bands (ev): -13.9440 -13.9440 -13.9439 -13.9439 -13.9386 -13.9386 -13.7862 -13.7862 -8.0101 -8.0101 -6.9341 -6.9341 -6.5672 -6.5672 -6.5647 -6.5647 -4.5454 -4.5454 -3.3408 -3.3408 -3.1008 -3.1008 -3.0974 -3.0974 -2.9198 -2.9198 -2.8468 -2.8468 -2.5276 -2.5276 -2.3170 -2.3170 -2.3090 -2.3090 -1.8339 -1.8339 -1.6387 -1.6387 -1.6223 -1.6223 -1.4079 -1.4079 -1.0457 -1.0457 -0.8131 -0.8131 -0.8054 -0.8054 -0.6181 -0.6181 -0.1396 -0.1396 -0.0300 -0.0300 -0.0190 -0.0190 5.1369 5.1369 5.1447 5.1447 5.2078 5.2078 5.8818 5.8818 6.0300 6.0300 6.6893 6.6893 k = 0.3527 0.6510 0.0000 ( 10594 PWs) bands (ev): -13.9485 -13.9485 -13.9485 -13.9485 -13.9330 -13.9330 -13.7824 -13.7824 -8.0197 -8.0197 -6.9368 -6.9368 -6.5580 -6.5580 -6.5555 -6.5555 -4.5444 -4.5444 -3.3484 -3.3484 -3.0964 -3.0964 -3.0931 -3.0931 -2.9145 -2.9145 -2.8731 -2.8731 -2.5205 -2.5205 -2.3092 -2.3092 -2.3016 -2.3016 -1.8544 -1.8544 -1.6279 -1.6279 -1.6122 -1.6122 -1.4173 -1.4173 -1.0423 -1.0423 -0.8112 -0.8112 -0.8038 -0.8038 -0.6116 -0.6116 -0.1367 -0.1367 -0.0448 -0.0448 -0.0342 -0.0342 5.1227 5.1227 5.1301 5.1301 5.2070 5.2070 5.8861 5.8861 6.0479 6.0479 6.7043 6.7043 k = 0.3637 0.6713 0.0000 ( 10590 PWs) bands (ev): -13.9528 -13.9528 -13.9528 -13.9528 -13.9276 -13.9276 -13.7787 -13.7787 -8.0290 -8.0290 -6.9388 -6.9388 -6.5492 -6.5492 -6.5468 -6.5468 -4.5439 -4.5439 -3.3554 -3.3554 -3.0921 -3.0921 -3.0888 -3.0888 -2.9144 -2.9144 -2.8932 -2.8932 -2.5131 -2.5131 -2.3023 -2.3022 -2.2950 -2.2950 -1.8746 -1.8746 -1.6179 -1.6179 -1.6029 -1.6029 -1.4273 -1.4273 -1.0386 -1.0386 -0.8086 -0.8086 -0.8015 -0.8014 -0.6058 -0.6058 -0.1330 -0.1330 -0.0587 -0.0587 -0.0485 -0.0485 5.1077 5.1077 5.1147 5.1147 5.2052 5.2052 5.8929 5.8929 6.0647 6.0647 6.7090 6.7090 k = 0.3747 0.6917 0.0000 ( 10562 PWs) bands (ev): -13.9569 -13.9569 -13.9569 -13.9568 -13.9225 -13.9225 -13.7752 -13.7752 -8.0378 -8.0378 -6.9403 -6.9403 -6.5409 -6.5409 -6.5384 -6.5384 -4.5441 -4.5441 -3.3618 -3.3618 -3.0880 -3.0880 -3.0846 -3.0846 -2.9307 -2.9307 -2.8954 -2.8954 -2.5055 -2.5055 -2.2961 -2.2961 -2.2892 -2.2892 -1.8942 -1.8942 -1.6090 -1.6090 -1.5945 -1.5945 -1.4379 -1.4379 -1.0345 -1.0345 -0.8053 -0.8053 -0.7985 -0.7985 -0.6005 -0.6005 -0.1290 -0.1290 -0.0715 -0.0715 -0.0619 -0.0619 5.0924 5.0924 5.0990 5.0990 5.2027 5.2028 5.9018 5.9018 6.0802 6.0802 6.7084 6.7084 k = 0.3857 0.7120 0.0000 ( 10586 PWs) bands (ev): -13.9607 -13.9607 -13.9606 -13.9606 -13.9177 -13.9177 -13.7720 -13.7720 -8.0462 -8.0462 -6.9412 -6.9412 -6.5331 -6.5331 -6.5306 -6.5306 -4.5447 -4.5447 -3.3676 -3.3676 -3.0840 -3.0840 -3.0806 -3.0806 -2.9523 -2.9523 -2.8910 -2.8910 -2.4980 -2.4980 -2.2906 -2.2906 -2.2842 -2.2842 -1.9129 -1.9129 -1.6012 -1.6012 -1.5871 -1.5871 -1.4487 -1.4487 -1.0305 -1.0305 -0.8016 -0.8016 -0.7951 -0.7951 -0.5959 -0.5959 -0.1248 -0.1248 -0.0830 -0.0830 -0.0743 -0.0743 5.0770 5.0770 5.0833 5.0833 5.1998 5.1998 5.9123 5.9123 6.0942 6.0942 6.7055 6.7055 k = 0.3968 0.7323 0.0000 ( 10590 PWs) bands (ev): -13.9641 -13.9641 -13.9641 -13.9641 -13.9133 -13.9133 -13.7690 -13.7690 -8.0541 -8.0541 -6.9417 -6.9417 -6.5258 -6.5258 -6.5234 -6.5234 -4.5458 -4.5458 -3.3727 -3.3727 -3.0804 -3.0804 -3.0767 -3.0767 -2.9731 -2.9731 -2.8858 -2.8858 -2.4907 -2.4907 -2.2859 -2.2859 -2.2798 -2.2798 -1.9305 -1.9305 -1.5943 -1.5943 -1.5806 -1.5806 -1.4596 -1.4596 -1.0264 -1.0264 -0.7976 -0.7976 -0.7915 -0.7915 -0.5918 -0.5918 -0.1211 -0.1211 -0.0928 -0.0928 -0.0855 -0.0855 5.0618 5.0618 5.0680 5.0680 5.1966 5.1966 5.9240 5.9240 6.1064 6.1064 6.7016 6.7016 k = 0.3968 0.7323 0.0000 ( 10590 PWs) bands (ev): -13.9641 -13.9641 -13.9641 -13.9641 -13.9133 -13.9133 -13.7690 -13.7690 -8.0541 -8.0541 -6.9417 -6.9417 -6.5258 -6.5258 -6.5234 -6.5234 -4.5458 -4.5458 -3.3727 -3.3727 -3.0804 -3.0804 -3.0767 -3.0767 -2.9731 -2.9731 -2.8858 -2.8858 -2.4907 -2.4907 -2.2859 -2.2859 -2.2798 -2.2798 -1.9305 -1.9305 -1.5943 -1.5943 -1.5806 -1.5806 -1.4596 -1.4596 -1.0264 -1.0264 -0.7976 -0.7976 -0.7915 -0.7915 -0.5918 -0.5918 -0.1211 -0.1211 -0.0928 -0.0928 -0.0855 -0.0855 5.0618 5.0618 5.0680 5.0680 5.1966 5.1966 5.9240 5.9240 6.1064 6.1064 6.7016 6.7016 k = 0.3915 0.7227 0.0203 ( 10591 PWs) bands (ev): -13.9626 -13.9626 -13.9625 -13.9625 -13.9151 -13.9151 -13.7705 -13.7705 -8.0501 -8.0501 -6.9412 -6.9412 -6.5295 -6.5294 -6.5270 -6.5270 -4.5454 -4.5453 -3.3714 -3.3704 -3.0856 -3.0835 -3.0813 -3.0784 -2.9628 -2.9623 -2.8868 -2.8846 -2.4953 -2.4948 -2.2891 -2.2873 -2.2822 -2.2813 -1.9242 -1.9205 -1.5988 -1.5966 -1.5847 -1.5821 -1.4542 -1.4515 -1.0291 -1.0267 -0.7999 -0.7992 -0.7937 -0.7924 -0.5937 -0.5934 -0.1259 -0.1229 -0.0885 -0.0868 -0.0792 -0.0773 5.0656 5.0672 5.0715 5.0739 5.2011 5.2025 5.9192 5.9193 6.0996 6.0998 6.7027 6.7027 k = 0.3863 0.7130 0.0406 ( 10583 PWs) bands (ev): -13.9614 -13.9614 -13.9609 -13.9609 -13.9166 -13.9166 -13.7722 -13.7721 -8.0454 -8.0454 -6.9401 -6.9401 -6.5340 -6.5337 -6.5311 -6.5309 -4.5453 -4.5450 -3.3711 -3.3691 -3.0972 -3.0939 -3.0852 -3.0801 -2.9516 -2.9504 -2.8829 -2.8786 -2.5019 -2.5009 -2.2933 -2.2890 -2.2846 -2.2818 -1.9178 -1.9106 -1.6043 -1.5989 -1.5887 -1.5835 -1.4455 -1.4407 -1.0309 -1.0261 -0.8022 -0.8008 -0.7956 -0.7925 -0.5955 -0.5948 -0.1323 -0.1278 -0.0839 -0.0807 -0.0678 -0.0650 5.0626 5.0671 5.0706 5.0764 5.2127 5.2151 5.9164 5.9167 6.0904 6.0908 6.7020 6.7021 k = 0.3810 0.7033 0.0609 ( 10577 PWs) bands (ev): -13.9604 -13.9603 -13.9593 -13.9593 -13.9176 -13.9176 -13.7740 -13.7740 -8.0400 -8.0399 -6.9384 -6.9383 -6.5395 -6.5391 -6.5353 -6.5348 -4.5453 -4.5449 -3.3719 -3.3689 -3.1135 -3.1095 -3.0881 -3.0814 -2.9405 -2.9384 -2.8746 -2.8686 -2.5103 -2.5088 -2.2986 -2.2927 -2.2851 -2.2811 -1.9116 -1.9013 -1.6105 -1.6009 -1.5922 -1.5843 -1.4343 -1.4281 -1.0320 -1.0247 -0.8051 -0.8024 -0.7968 -0.7919 -0.5970 -0.5959 -0.1393 -0.1339 -0.0798 -0.0757 -0.0518 -0.0490 5.0537 5.0587 5.0694 5.0762 5.2303 5.2334 5.9153 5.9158 6.0789 6.0795 6.6991 6.6993 k = 0.3758 0.6936 0.0812 ( 10575 PWs) bands (ev): -13.9596 -13.9596 -13.9577 -13.9577 -13.9181 -13.9181 -13.7762 -13.7761 -8.0339 -8.0339 -6.9361 -6.9360 -6.5461 -6.5456 -6.5393 -6.5389 -4.5456 -4.5450 -3.3740 -3.3700 -3.1331 -3.1283 -3.0902 -3.0823 -2.9301 -2.9271 -2.8629 -2.8557 -2.5202 -2.5181 -2.3047 -2.2980 -2.2840 -2.2793 -1.9058 -1.8927 -1.6168 -1.6032 -1.5947 -1.5844 -1.4213 -1.4141 -1.0325 -1.0227 -0.8085 -0.8042 -0.7972 -0.7906 -0.5983 -0.5966 -0.1463 -0.1403 -0.0762 -0.0713 -0.0328 -0.0301 5.0399 5.0450 5.0666 5.0739 5.2520 5.2556 5.9155 5.9162 6.0657 6.0665 6.6935 6.6939 k = 0.3705 0.6840 0.1015 ( 10558 PWs) bands (ev): -13.9592 -13.9592 -13.9561 -13.9561 -13.9182 -13.9182 -13.7785 -13.7785 -8.0273 -8.0273 -6.9332 -6.9330 -6.5535 -6.5531 -6.5434 -6.5429 -4.5460 -4.5453 -3.3773 -3.3724 -3.1546 -3.1492 -3.0913 -3.0822 -2.9204 -2.9166 -2.8490 -2.8408 -2.5314 -2.5288 -2.3115 -2.3043 -2.2818 -2.2767 -1.9004 -1.8849 -1.6228 -1.6063 -1.5957 -1.5838 -1.4071 -1.3993 -1.0325 -1.0203 -0.8124 -0.8063 -0.7965 -0.7886 -0.5991 -0.5968 -0.1531 -0.1466 -0.0730 -0.0673 -0.0115 -0.0089 5.0221 5.0273 5.0625 5.0702 5.2764 5.2801 5.9163 5.9172 6.0515 6.0527 6.6837 6.6846 k = 0.3653 0.6743 0.1219 ( 10563 PWs) bands (ev): -13.9590 -13.9590 -13.9545 -13.9545 -13.9178 -13.9178 -13.7810 -13.7810 -8.0202 -8.0202 -6.9296 -6.9295 -6.5619 -6.5614 -6.5474 -6.5469 -4.5465 -4.5457 -3.3820 -3.3761 -3.1774 -3.1714 -3.0911 -3.0811 -2.9114 -2.9068 -2.8337 -2.8250 -2.5435 -2.5403 -2.3189 -2.3113 -2.2789 -2.2733 -1.8952 -1.8779 -1.6284 -1.6101 -1.5952 -1.5824 -1.3921 -1.3839 -1.0322 -1.0179 -0.8165 -0.8087 -0.7949 -0.7862 -0.5994 -0.5965 -0.1596 -0.1528 -0.0701 -0.0636 0.0115 0.0141 5.0011 5.0063 5.0577 5.0656 5.3019 5.3059 5.9168 5.9180 6.0378 6.0393 6.6677 6.6692 k = 0.3601 0.6646 0.1422 ( 10566 PWs) bands (ev): -13.9591 -13.9590 -13.9529 -13.9528 -13.9170 -13.9170 -13.7837 -13.7837 -8.0128 -8.0127 -6.9255 -6.9253 -6.5710 -6.5706 -6.5514 -6.5510 -4.5470 -4.5462 -3.3880 -3.3813 -3.2011 -3.1943 -3.0894 -3.0787 -2.9029 -2.8976 -2.8180 -2.8090 -2.5562 -2.5523 -2.3268 -2.3189 -2.2754 -2.2695 -1.8903 -1.8715 -1.6335 -1.6141 -1.5935 -1.5803 -1.3768 -1.3683 -1.0319 -1.0156 -0.8205 -0.8111 -0.7926 -0.7833 -0.5991 -0.5956 -0.1658 -0.1585 -0.0675 -0.0602 0.0355 0.0383 4.9776 4.9828 5.0525 5.0606 5.3275 5.3317 5.9162 5.9175 6.0260 6.0278 6.6435 6.6453 k = 0.3548 0.6549 0.1625 ( 10546 PWs) bands (ev): -13.9593 -13.9593 -13.9512 -13.9512 -13.9159 -13.9159 -13.7867 -13.7867 -8.0050 -8.0049 -6.9209 -6.9207 -6.5808 -6.5804 -6.5553 -6.5549 -4.5477 -4.5468 -3.3953 -3.3877 -3.2251 -3.2176 -3.0863 -3.0749 -2.8947 -2.8888 -2.8024 -2.7934 -2.5689 -2.5644 -2.3352 -2.3271 -2.2715 -2.2655 -1.8854 -1.8657 -1.6383 -1.6182 -1.5909 -1.5775 -1.3615 -1.3525 -1.0319 -1.0138 -0.8242 -0.8133 -0.7897 -0.7802 -0.5981 -0.5939 -0.1715 -0.1638 -0.0651 -0.0570 0.0602 0.0633 4.9524 4.9575 5.0470 5.0553 5.3521 5.3564 5.9137 5.9152 6.0177 6.0199 6.6125 6.6143 k = 0.3496 0.6453 0.1828 ( 10556 PWs) bands (ev): -13.9596 -13.9596 -13.9495 -13.9495 -13.9145 -13.9145 -13.7898 -13.7898 -7.9970 -7.9969 -6.9157 -6.9155 -6.5912 -6.5908 -6.5592 -6.5588 -4.5484 -4.5475 -3.4037 -3.3953 -3.2492 -3.2410 -3.0816 -3.0698 -2.8869 -2.8801 -2.7877 -2.7789 -2.5812 -2.5760 -2.3440 -2.3359 -2.2676 -2.2614 -1.8805 -1.8601 -1.6429 -1.6224 -1.5876 -1.5739 -1.3463 -1.3369 -1.0322 -1.0129 -0.8274 -0.8151 -0.7863 -0.7768 -0.5965 -0.5916 -0.1766 -0.1686 -0.0628 -0.0540 0.0848 0.0885 4.9261 4.9312 5.0413 5.0497 5.3746 5.3789 5.9098 5.9112 6.0137 6.0160 6.5780 6.5798 k = 0.3443 0.6356 0.2031 ( 10550 PWs) bands (ev): -13.9601 -13.9600 -13.9478 -13.9478 -13.9128 -13.9128 -13.7931 -13.7931 -7.9889 -7.9888 -6.9101 -6.9098 -6.6020 -6.6017 -6.5629 -6.5625 -4.5491 -4.5482 -3.4130 -3.4039 -3.2732 -3.2642 -3.0756 -3.0633 -2.8793 -2.8715 -2.7744 -2.7659 -2.5925 -2.5864 -2.3531 -2.3450 -2.2637 -2.2574 -1.8753 -1.8547 -1.6475 -1.6269 -1.5834 -1.5697 -1.3316 -1.3215 -1.0332 -1.0130 -0.8297 -0.8163 -0.7825 -0.7732 -0.5941 -0.5886 -0.1811 -0.1728 -0.0607 -0.0512 0.1091 0.1133 4.8994 4.9046 5.0355 5.0439 5.3938 5.3982 5.9057 5.9069 6.0137 6.0161 6.5430 6.5447 k = 0.3391 0.6259 0.2234 ( 10555 PWs) bands (ev): -13.9605 -13.9605 -13.9461 -13.9461 -13.9110 -13.9110 -13.7966 -13.7966 -7.9809 -7.9807 -6.9041 -6.9038 -6.6133 -6.6130 -6.5664 -6.5660 -4.5498 -4.5489 -3.4232 -3.4134 -3.2968 -3.2871 -3.0683 -3.0556 -2.8721 -2.8631 -2.7631 -2.7550 -2.6020 -2.5949 -2.3625 -2.3545 -2.2600 -2.2537 -1.8698 -1.8492 -1.6521 -1.6317 -1.5786 -1.5647 -1.3174 -1.3064 -1.0350 -1.0144 -0.8310 -0.8169 -0.7786 -0.7696 -0.5911 -0.5850 -0.1849 -0.1764 -0.0587 -0.0485 0.1324 0.1372 4.8731 4.8783 5.0293 5.0378 5.4090 5.4134 5.9031 5.9040 6.0169 6.0192 6.5088 6.5105 k = 0.3339 0.6162 0.2437 ( 10559 PWs) bands (ev): -13.9609 -13.9609 -13.9444 -13.9444 -13.9091 -13.9091 -13.8003 -13.8003 -7.9729 -7.9727 -6.8977 -6.8974 -6.6248 -6.6245 -6.5697 -6.5693 -4.5505 -4.5495 -3.4339 -3.4236 -3.3200 -3.3094 -3.0598 -3.0468 -2.8654 -2.8551 -2.7543 -2.7466 -2.6089 -2.6008 -2.3720 -2.3642 -2.2567 -2.2505 -1.8640 -1.8434 -1.6570 -1.6369 -1.5731 -1.5591 -1.3039 -1.2919 -1.0376 -1.0171 -0.8312 -0.8167 -0.7745 -0.7659 -0.5874 -0.5808 -0.1880 -0.1792 -0.0568 -0.0460 0.1543 0.1598 4.8477 4.8528 5.0229 5.0314 5.4197 5.4240 5.9033 5.9040 6.0225 6.0247 6.4763 6.4780 k = 0.3286 0.6066 0.2640 ( 10552 PWs) bands (ev): -13.9612 -13.9612 -13.9426 -13.9426 -13.9071 -13.9071 -13.8041 -13.8041 -7.9651 -7.9648 -6.8910 -6.8907 -6.6365 -6.6361 -6.5727 -6.5724 -4.5511 -4.5502 -3.4450 -3.4342 -3.3424 -3.3310 -3.0505 -3.0372 -2.8595 -2.8475 -2.7480 -2.7408 -2.6127 -2.6037 -2.3816 -2.3741 -2.2539 -2.2478 -1.8578 -1.8374 -1.6623 -1.6426 -1.5670 -1.5529 -1.2912 -1.2780 -1.0410 -1.0211 -0.8302 -0.8156 -0.7704 -0.7623 -0.5832 -0.5761 -0.1903 -0.1812 -0.0551 -0.0437 0.1743 0.1806 4.8236 4.8288 5.0161 5.0245 5.4259 5.4301 5.9066 5.9072 6.0303 6.0323 6.4459 6.4477 k = 0.3234 0.5969 0.2843 ( 10546 PWs) bands (ev): -13.9615 -13.9614 -13.9408 -13.9408 -13.9051 -13.9051 -13.8080 -13.8080 -7.9577 -7.9573 -6.8842 -6.8837 -6.6482 -6.6478 -6.5754 -6.5751 -4.5518 -4.5508 -3.4564 -3.4452 -3.3639 -3.3517 -3.0406 -3.0270 -2.8548 -2.8410 -2.7437 -2.7369 -2.6133 -2.6038 -2.3912 -2.3840 -2.2517 -2.2456 -1.8512 -1.8311 -1.6681 -1.6488 -1.5604 -1.5463 -1.2794 -1.2648 -1.0452 -1.0261 -0.8281 -0.8136 -0.7663 -0.7588 -0.5784 -0.5709 -0.1916 -0.1824 -0.0536 -0.0417 0.1921 0.1992 4.8014 4.8065 5.0089 5.0172 5.4282 5.4322 5.9126 5.9131 6.0402 6.0421 6.4181 6.4200 k = 0.3181 0.5872 0.3046 ( 10541 PWs) bands (ev): -13.9616 -13.9616 -13.9390 -13.9389 -13.9032 -13.9031 -13.8121 -13.8121 -7.9506 -7.9502 -6.8772 -6.8767 -6.6597 -6.6593 -6.5778 -6.5775 -4.5524 -4.5514 -3.4677 -3.4564 -3.3844 -3.3713 -3.0303 -3.0165 -2.8516 -2.8361 -2.7401 -2.7337 -2.6112 -2.6015 -2.4005 -2.3937 -2.2501 -2.2442 -1.8443 -1.8245 -1.6743 -1.6555 -1.5535 -1.5392 -1.2684 -1.2523 -1.0500 -1.0320 -0.8251 -0.8110 -0.7625 -0.7554 -0.5733 -0.5655 -0.1921 -0.1827 -0.0524 -0.0400 0.2075 0.2154 4.7814 4.7864 5.0014 5.0094 5.4274 5.4313 5.9200 5.9206 6.0525 6.0542 6.3930 6.3950 k = 0.3129 0.5775 0.3250 ( 10544 PWs) bands (ev): -13.9616 -13.9616 -13.9371 -13.9371 -13.9012 -13.9012 -13.8162 -13.8162 -7.9439 -7.9435 -6.8701 -6.8696 -6.6710 -6.6706 -6.5799 -6.5796 -4.5529 -4.5519 -3.4789 -3.4676 -3.4038 -3.3898 -3.0200 -3.0060 -2.8504 -2.8332 -2.7358 -2.7299 -2.6073 -2.5980 -2.4094 -2.4031 -2.2491 -2.2434 -1.8370 -1.8177 -1.6810 -1.6627 -1.5463 -1.5319 -1.2585 -1.2408 -1.0553 -1.0385 -0.8213 -0.8077 -0.7589 -0.7521 -0.5680 -0.5598 -0.1917 -0.1821 -0.0515 -0.0387 0.2202 0.2290 4.7636 4.7686 4.9934 5.0012 5.4245 5.4286 5.9275 5.9283 6.0675 6.0690 6.3708 6.3729 k = 0.3077 0.5679 0.3453 ( 10544 PWs) bands (ev): -13.9615 -13.9615 -13.9352 -13.9351 -13.8994 -13.8994 -13.8204 -13.8203 -7.9378 -7.9373 -6.8632 -6.8626 -6.6819 -6.6815 -6.5816 -6.5813 -4.5534 -4.5523 -3.4899 -3.4788 -3.4219 -3.4070 -3.0102 -2.9962 -2.8508 -2.8324 -2.7297 -2.7242 -2.6026 -2.5940 -2.4179 -2.4121 -2.2487 -2.2432 -1.8296 -1.8107 -1.6881 -1.6702 -1.5390 -1.5245 -1.2497 -1.2303 -1.0610 -1.0451 -0.8169 -0.8039 -0.7556 -0.7490 -0.5625 -0.5541 -0.1902 -0.1805 -0.0510 -0.0379 0.2303 0.2398 4.7483 4.7533 4.9853 4.9927 5.4206 5.4249 5.9341 5.9350 6.0852 6.0865 6.3518 6.3539 k = 0.3024 0.5582 0.3656 ( 10540 PWs) bands (ev): -13.9613 -13.9613 -13.9332 -13.9332 -13.8978 -13.8978 -13.8245 -13.8245 -7.9322 -7.9317 -6.8565 -6.8558 -6.6923 -6.6919 -6.5829 -6.5826 -4.5538 -4.5526 -3.5005 -3.4897 -3.4386 -3.4227 -3.0012 -2.9874 -2.8525 -2.8331 -2.7215 -2.7163 -2.5980 -2.5902 -2.4259 -2.4205 -2.2489 -2.2437 -1.8221 -1.8036 -1.6956 -1.6780 -1.5317 -1.5171 -1.2419 -1.2207 -1.0668 -1.0518 -0.8121 -0.7997 -0.7527 -0.7460 -0.5569 -0.5485 -0.1878 -0.1780 -0.0511 -0.0377 0.2376 0.2480 4.7355 4.7403 4.9770 4.9840 5.4164 5.4212 5.9391 5.9401 6.1051 6.1063 6.3362 6.3383 k = 0.2972 0.5485 0.3859 ( 10548 PWs) bands (ev): -13.9609 -13.9609 -13.9313 -13.9312 -13.8964 -13.8964 -13.8286 -13.8285 -7.9273 -7.9267 -6.8501 -6.8493 -6.7020 -6.7016 -6.5838 -6.5835 -4.5541 -4.5529 -3.5105 -3.5002 -3.4537 -3.4370 -2.9935 -2.9801 -2.8544 -2.8342 -2.7114 -2.7065 -2.5938 -2.5870 -2.4333 -2.4283 -2.2495 -2.2446 -1.8146 -1.7966 -1.7032 -1.6858 -1.5245 -1.5099 -1.2352 -1.2123 -1.0726 -1.0582 -0.8071 -0.7954 -0.7502 -0.7432 -0.5515 -0.5430 -0.1843 -0.1744 -0.0519 -0.0384 0.2425 0.2537 4.7249 4.7297 4.9687 4.9752 5.4125 5.4181 5.9423 5.9434 6.1266 6.1277 6.3241 6.3261 k = 0.2919 0.5388 0.4062 ( 10543 PWs) bands (ev): -13.9604 -13.9604 -13.9293 -13.9293 -13.8952 -13.8952 -13.8325 -13.8325 -7.9230 -7.9224 -6.8441 -6.8432 -6.7110 -6.7105 -6.5844 -6.5841 -4.5543 -4.5531 -3.5200 -3.5102 -3.4673 -3.4497 -2.9875 -2.9748 -2.8557 -2.8348 -2.7000 -2.6951 -2.5904 -2.5846 -2.4402 -2.4353 -2.2505 -2.2460 -1.8072 -1.7898 -1.7109 -1.6936 -1.5176 -1.5030 -1.2295 -1.2049 -1.0783 -1.0642 -0.8020 -0.7910 -0.7480 -0.7407 -0.5464 -0.5378 -0.1799 -0.1699 -0.0535 -0.0400 0.2452 0.2571 4.7164 4.7211 4.9607 4.9667 5.4094 5.4158 5.9437 5.9449 6.1487 6.1496 6.3158 6.3177 k = 0.2867 0.5292 0.4265 ( 10555 PWs) bands (ev): -13.9598 -13.9598 -13.9273 -13.9273 -13.8944 -13.8944 -13.8361 -13.8361 -7.9193 -7.9187 -6.8387 -6.8378 -6.7189 -6.7185 -6.5847 -6.5843 -4.5545 -4.5531 -3.5286 -3.5196 -3.4793 -3.4608 -2.9835 -2.9717 -2.8557 -2.8342 -2.6881 -2.6830 -2.5877 -2.5829 -2.4465 -2.4418 -2.2517 -2.2476 -1.8001 -1.7833 -1.7185 -1.7012 -1.5111 -1.4965 -1.2248 -1.1987 -1.0836 -1.0697 -0.7971 -0.7867 -0.7462 -0.7384 -0.5415 -0.5330 -0.1745 -0.1644 -0.0562 -0.0428 0.2460 0.2586 4.7098 4.7145 4.9531 4.9585 5.4073 5.4144 5.9436 5.9449 6.1702 6.1712 6.3115 6.3132 k = 0.2814 0.5195 0.4468 ( 10552 PWs) bands (ev): -13.9591 -13.9591 -13.9253 -13.9253 -13.8940 -13.8940 -13.8394 -13.8394 -7.9163 -7.9156 -6.8340 -6.8330 -6.7259 -6.7255 -6.5846 -6.5843 -4.5545 -4.5531 -3.5365 -3.5281 -3.4897 -3.4704 -2.9814 -2.9706 -2.8542 -2.8321 -2.6762 -2.6709 -2.5855 -2.5816 -2.4526 -2.4478 -2.2530 -2.2493 -1.7934 -1.7774 -1.7258 -1.7082 -1.5052 -1.4906 -1.2209 -1.1935 -1.0884 -1.0747 -0.7925 -0.7827 -0.7446 -0.7364 -0.5371 -0.5287 -0.1682 -0.1580 -0.0599 -0.0469 0.2454 0.2586 4.7048 4.7094 4.9462 4.9509 5.4062 5.4141 5.9422 5.9438 6.1899 6.1912 6.3114 6.3130 k = 0.2762 0.5098 0.4671 ( 10552 PWs) bands (ev): -13.9583 -13.9583 -13.9234 -13.9233 -13.8940 -13.8940 -13.8423 -13.8423 -7.9139 -7.9132 -6.8302 -6.8290 -6.7316 -6.7313 -6.5844 -6.5840 -4.5545 -4.5531 -3.5433 -3.5356 -3.4984 -3.4784 -2.9810 -2.9710 -2.8516 -2.8289 -2.6653 -2.6599 -2.5832 -2.5800 -2.4583 -2.4535 -2.2542 -2.2510 -1.7871 -1.7722 -1.7326 -1.7145 -1.4999 -1.4854 -1.2179 -1.1893 -1.0925 -1.0791 -0.7884 -0.7791 -0.7433 -0.7347 -0.5332 -0.5249 -0.1610 -0.1506 -0.0650 -0.0524 0.2439 0.2576 4.7011 4.7056 4.9401 4.9442 5.4060 5.4147 5.9399 5.9417 6.2067 6.2088 6.3151 6.3169 k = 0.2710 0.5002 0.4874 ( 10562 PWs) bands (ev): -13.9575 -13.9574 -13.9216 -13.9215 -13.8945 -13.8945 -13.8446 -13.8446 -7.9121 -7.9113 -6.8272 -6.8260 -6.7362 -6.7359 -6.5839 -6.5836 -4.5544 -4.5529 -3.5491 -3.5419 -3.5056 -3.4849 -2.9817 -2.9723 -2.8482 -2.8249 -2.6562 -2.6510 -2.5801 -2.5776 -2.4639 -2.4591 -2.2554 -2.2526 -1.7815 -1.7680 -1.7387 -1.7198 -1.4953 -1.4809 -1.2156 -1.1861 -1.0960 -1.0830 -0.7848 -0.7760 -0.7423 -0.7333 -0.5299 -0.5218 -0.1529 -0.1423 -0.0713 -0.0594 0.2420 0.2560 4.6984 4.7029 4.9350 4.9384 5.4065 5.4159 5.9371 5.9392 6.2202 6.2231 6.3220 6.3244 k = 0.2657 0.4905 0.5077 ( 10557 PWs) bands (ev): -13.9567 -13.9566 -13.9199 -13.9199 -13.8954 -13.8953 -13.8463 -13.8463 -7.9108 -7.9100 -6.8251 -6.8238 -6.7395 -6.7392 -6.5835 -6.5831 -4.5543 -4.5527 -3.5537 -3.5469 -3.5111 -3.4900 -2.9829 -2.9740 -2.8447 -2.8210 -2.6495 -2.6448 -2.5758 -2.5741 -2.4691 -2.4643 -2.2563 -2.2539 -1.7766 -1.7648 -1.7439 -1.7239 -1.4916 -1.4773 -1.2140 -1.1838 -1.0987 -1.0863 -0.7819 -0.7735 -0.7415 -0.7322 -0.5273 -0.5193 -0.1441 -0.1331 -0.0788 -0.0679 0.2400 0.2543 4.6966 4.7010 4.9310 4.9338 5.4074 5.4174 5.9343 5.9365 6.2301 6.2339 6.3308 6.3339 k = 0.2605 0.4808 0.5280 ( 10555 PWs) bands (ev): -13.9559 -13.9559 -13.9186 -13.9185 -13.8964 -13.8963 -13.8475 -13.8475 -7.9099 -7.9091 -6.8238 -6.8224 -6.7416 -6.7414 -6.5830 -6.5826 -4.5541 -4.5525 -3.5571 -3.5506 -3.5151 -3.4937 -2.9843 -2.9755 -2.8417 -2.8175 -2.6453 -2.6414 -2.5709 -2.5698 -2.4737 -2.4690 -2.2570 -2.2549 -1.7728 -1.7630 -1.7479 -1.7267 -1.4888 -1.4747 -1.2128 -1.1822 -1.1005 -1.0889 -0.7798 -0.7717 -0.7410 -0.7314 -0.5254 -0.5174 -0.1349 -0.1232 -0.0873 -0.0778 0.2383 0.2528 4.6954 4.6997 4.9282 4.9303 5.4085 5.4189 5.9318 5.9341 6.2369 6.2413 6.3396 6.3433 k = 0.2552 0.4711 0.5484 ( 10559 PWs) bands (ev): -13.9554 -13.9554 -13.9177 -13.9176 -13.8972 -13.8972 -13.8481 -13.8481 -7.9095 -7.9087 -6.8232 -6.8218 -6.7428 -6.7426 -6.5826 -6.5823 -4.5540 -4.5524 -3.5591 -3.5528 -3.5175 -3.4959 -2.9852 -2.9766 -2.8396 -2.8152 -2.6431 -2.6401 -2.5667 -2.5662 -2.4771 -2.4724 -2.2574 -2.2554 -1.7704 -1.7621 -1.7504 -1.7281 -1.4870 -1.4730 -1.2122 -1.1814 -1.1017 -1.0906 -0.7786 -0.7706 -0.7406 -0.7309 -0.5242 -0.5163 -0.1259 -0.1125 -0.0958 -0.0888 0.2372 0.2518 4.6947 4.6990 4.9266 4.9282 5.4094 5.4201 5.9300 5.9325 6.2407 6.2456 6.3462 6.3501 k = 0.2500 0.4615 0.5687 ( 10564 PWs) bands (ev): -13.9552 -13.9552 -13.9174 -13.9173 -13.8975 -13.8975 -13.8483 -13.8483 -7.9094 -7.9085 -6.8230 -6.8216 -6.7431 -6.7430 -6.5825 -6.5821 -4.5539 -4.5523 -3.5598 -3.5535 -3.5184 -3.4966 -2.9856 -2.9770 -2.8389 -2.8144 -2.6425 -2.6399 -2.5649 -2.5647 -2.4783 -2.4736 -2.2575 -2.2556 -1.7696 -1.7620 -1.7512 -1.7285 -1.4864 -1.4724 -1.2121 -1.1812 -1.1020 -1.0911 -0.7781 -0.7702 -0.7405 -0.7307 -0.5238 -0.5160 -0.1209 -0.1034 -0.0995 -0.0992 0.2368 0.2514 4.6945 4.6988 4.9261 4.9275 5.4098 5.4205 5.9293 5.9319 6.2419 6.2469 6.3486 6.3526 k = 0.2500 0.4615 0.5687 ( 10564 PWs) bands (ev): -13.9552 -13.9552 -13.9174 -13.9173 -13.8975 -13.8975 -13.8483 -13.8483 -7.9094 -7.9085 -6.8230 -6.8216 -6.7431 -6.7430 -6.5825 -6.5821 -4.5539 -4.5523 -3.5598 -3.5535 -3.5184 -3.4966 -2.9856 -2.9770 -2.8389 -2.8144 -2.6425 -2.6399 -2.5649 -2.5647 -2.4783 -2.4736 -2.2575 -2.2556 -1.7696 -1.7620 -1.7512 -1.7285 -1.4864 -1.4724 -1.2121 -1.1812 -1.1020 -1.0911 -0.7781 -0.7702 -0.7405 -0.7307 -0.5238 -0.5160 -0.1209 -0.1034 -0.0995 -0.0992 0.2368 0.2514 4.6945 4.6988 4.9261 4.9275 5.4098 5.4205 5.9293 5.9319 6.2419 6.2469 6.3486 6.3525 k = 0.2361 0.4690 0.5529 ( 10556 PWs) bands (ev): -13.9554 -13.9554 -13.9173 -13.9172 -13.8976 -13.8975 -13.8482 -13.8482 -7.9094 -7.9086 -6.8233 -6.8219 -6.7427 -6.7425 -6.5828 -6.5824 -4.5539 -4.5523 -3.5590 -3.5527 -3.5175 -3.4959 -2.9851 -2.9765 -2.8397 -2.8153 -2.6425 -2.6395 -2.5649 -2.5645 -2.4785 -2.4738 -2.2577 -2.2557 -1.7704 -1.7623 -1.7508 -1.7284 -1.4873 -1.4733 -1.2122 -1.1814 -1.1019 -1.0907 -0.7786 -0.7705 -0.7407 -0.7310 -0.5242 -0.5163 -0.1267 -0.1140 -0.0943 -0.0873 0.2370 0.2516 4.6955 4.6998 4.9266 4.9283 5.4093 5.4199 5.9300 5.9325 6.2419 6.2468 6.3444 6.3484 k = 0.2222 0.4765 0.5371 ( 10554 PWs) bands (ev): -13.9560 -13.9560 -13.9169 -13.9169 -13.8976 -13.8976 -13.8478 -13.8478 -7.9096 -7.9088 -6.8243 -6.8229 -6.7413 -6.7411 -6.5836 -6.5833 -4.5539 -4.5524 -3.5569 -3.5503 -3.5149 -3.4935 -2.9839 -2.9752 -2.8420 -2.8179 -2.6426 -2.6383 -2.5648 -2.5639 -2.4789 -2.4741 -2.2582 -2.2561 -1.7726 -1.7635 -1.7498 -1.7280 -1.4900 -1.4758 -1.2127 -1.1820 -1.1013 -1.0894 -0.7799 -0.7716 -0.7412 -0.7316 -0.5254 -0.5175 -0.1371 -0.1265 -0.0827 -0.0738 0.2373 0.2520 4.6983 4.7027 4.9282 4.9305 5.4080 5.4184 5.9319 5.9342 6.2417 6.2465 6.3332 6.3371 k = 0.2083 0.4840 0.5213 ( 10548 PWs) bands (ev): -13.9570 -13.9570 -13.9165 -13.9164 -13.8976 -13.8976 -13.8472 -13.8472 -7.9100 -7.9092 -6.8257 -6.8244 -6.7392 -6.7390 -6.5850 -6.5847 -4.5539 -4.5524 -3.5534 -3.5465 -3.5106 -3.4896 -2.9820 -2.9731 -2.8455 -2.8220 -2.6426 -2.6370 -2.5645 -2.5632 -2.4795 -2.4745 -2.2591 -2.2569 -1.7759 -1.7657 -1.7483 -1.7274 -1.4944 -1.4799 -1.2135 -1.1831 -1.1004 -1.0873 -0.7824 -0.7736 -0.7416 -0.7323 -0.5274 -0.5193 -0.1481 -0.1386 -0.0697 -0.0597 0.2379 0.2526 4.7030 4.7075 4.9309 4.9339 5.4062 5.4161 5.9348 5.9370 6.2411 6.2457 6.3173 6.3211 k = 0.1944 0.4916 0.5055 ( 10538 PWs) bands (ev): -13.9583 -13.9582 -13.9160 -13.9159 -13.8976 -13.8975 -13.8465 -13.8465 -7.9104 -7.9097 -6.8277 -6.8264 -6.7364 -6.7361 -6.5869 -6.5866 -4.5539 -4.5524 -3.5488 -3.5414 -3.5045 -3.4842 -2.9799 -2.9708 -2.8498 -2.8270 -2.6425 -2.6357 -2.5639 -2.5622 -2.4800 -2.4749 -2.2605 -2.2581 -1.7802 -1.7689 -1.7467 -1.7266 -1.5005 -1.4857 -1.2144 -1.1844 -1.0988 -1.0847 -0.7862 -0.7768 -0.7415 -0.7327 -0.5302 -0.5220 -0.1589 -0.1503 -0.0561 -0.0454 0.2385 0.2533 4.7092 4.7139 4.9344 4.9382 5.4042 5.4135 5.9385 5.9405 6.2393 6.2435 6.2988 6.3022 k = 0.1806 0.4991 0.4897 ( 10546 PWs) bands (ev): -13.9597 -13.9597 -13.9155 -13.9154 -13.8974 -13.8973 -13.8456 -13.8456 -7.9110 -7.9103 -6.8299 -6.8288 -6.7329 -6.7326 -6.5894 -6.5891 -4.5539 -4.5525 -3.5432 -3.5353 -3.4967 -3.4771 -2.9782 -2.9686 -2.8542 -2.8323 -2.6425 -2.6348 -2.5632 -2.5610 -2.4802 -2.4749 -2.2625 -2.2598 -1.7852 -1.7731 -1.7449 -1.7255 -1.5081 -1.4930 -1.2154 -1.1861 -1.0967 -1.0815 -0.7915 -0.7813 -0.7407 -0.7325 -0.5339 -0.5255 -0.1694 -0.1616 -0.0419 -0.0307 0.2392 0.2540 4.7169 4.7218 4.9384 4.9431 5.4025 5.4111 5.9427 5.9445 6.2346 6.2380 6.2801 6.2829 k = 0.1667 0.5066 0.4739 ( 10538 PWs) bands (ev): -13.9613 -13.9613 -13.9152 -13.9152 -13.8970 -13.8969 -13.8445 -13.8445 -7.9117 -7.9110 -6.8324 -6.8313 -6.7289 -6.7286 -6.5923 -6.5920 -4.5540 -4.5526 -3.5368 -3.5284 -3.4872 -3.4685 -2.9775 -2.9673 -2.8579 -2.8369 -2.6427 -2.6344 -2.5622 -2.5595 -2.4799 -2.4745 -2.2651 -2.2622 -1.7909 -1.7783 -1.7432 -1.7243 -1.5170 -1.5016 -1.2164 -1.1879 -1.0939 -1.0779 -0.7981 -0.7871 -0.7391 -0.7314 -0.5383 -0.5297 -0.1795 -0.1724 -0.0274 -0.0157 0.2397 0.2545 4.7256 4.7308 4.9428 4.9483 5.4016 5.4095 5.9472 5.9487 6.2239 6.2256 6.2649 6.2667 k = 0.1528 0.5141 0.4581 ( 10542 PWs) bands (ev): -13.9630 -13.9629 -13.9152 -13.9151 -13.8964 -13.8963 -13.8435 -13.8434 -7.9124 -7.9117 -6.8350 -6.8341 -6.7245 -6.7242 -6.5956 -6.5953 -4.5540 -4.5527 -3.5299 -3.5211 -3.4760 -3.4583 -2.9788 -2.9678 -2.8599 -2.8401 -2.6433 -2.6346 -2.5609 -2.5577 -2.4789 -2.4735 -2.2684 -2.2654 -1.7973 -1.7844 -1.7414 -1.7230 -1.5270 -1.5113 -1.2173 -1.1900 -1.0904 -1.0739 -0.8057 -0.7940 -0.7366 -0.7294 -0.5435 -0.5348 -0.1890 -0.1826 -0.0124 -0.0004 0.2398 0.2547 4.7350 4.7404 4.9472 4.9534 5.4019 5.4089 5.9515 5.9529 6.2049 6.2054 6.2545 6.2562 k = 0.1389 0.5216 0.4423 ( 10550 PWs) bands (ev): -13.9646 -13.9646 -13.9153 -13.9153 -13.8955 -13.8955 -13.8423 -13.8423 -7.9132 -7.9125 -6.8377 -6.8368 -6.7198 -6.7194 -6.5993 -6.5991 -4.5540 -4.5528 -3.5228 -3.5136 -3.4633 -3.4467 -2.9828 -2.9708 -2.8596 -2.8410 -2.6442 -2.6355 -2.5592 -2.5556 -2.4772 -2.4718 -2.2724 -2.2693 -1.8042 -1.7913 -1.7398 -1.7219 -1.5376 -1.5218 -1.2181 -1.1923 -1.0864 -1.0696 -0.8140 -0.8019 -0.7333 -0.7264 -0.5493 -0.5406 -0.1980 -0.1922 0.0027 0.0150 0.2396 0.2544 4.7447 4.7503 4.9516 4.9585 5.4036 5.4097 5.9556 5.9568 6.1803 6.1814 6.2460 6.2481 k = 0.1250 0.5292 0.4265 ( 10550 PWs) bands (ev): -13.9662 -13.9662 -13.9156 -13.9156 -13.8946 -13.8945 -13.8412 -13.8412 -7.9140 -7.9134 -6.8403 -6.8395 -6.7149 -6.7145 -6.6033 -6.6031 -4.5541 -4.5530 -3.5155 -3.5062 -3.4492 -3.4338 -2.9895 -2.9770 -2.8566 -2.8393 -2.6455 -2.6371 -2.5571 -2.5531 -2.4750 -2.4695 -2.2773 -2.2740 -1.8115 -1.7988 -1.7383 -1.7209 -1.5484 -1.5327 -1.2189 -1.1946 -1.0819 -1.0652 -0.8227 -0.8103 -0.7293 -0.7226 -0.5559 -0.5471 -0.2063 -0.2011 0.0181 0.0305 0.2389 0.2536 4.7542 4.7599 4.9560 4.9634 5.4067 5.4121 5.9592 5.9603 6.1545 6.1559 6.2373 6.2395 k = 0.1111 0.5367 0.4107 ( 10542 PWs) bands (ev): -13.9678 -13.9678 -13.9161 -13.9161 -13.8935 -13.8935 -13.8401 -13.8401 -7.9147 -7.9142 -6.8429 -6.8422 -6.7098 -6.7093 -6.6075 -6.6074 -4.5541 -4.5531 -3.5083 -3.4992 -3.4341 -3.4198 -2.9988 -2.9860 -2.8512 -2.8352 -2.6469 -2.6391 -2.5545 -2.5501 -2.4722 -2.4667 -2.2829 -2.2795 -1.8190 -1.8069 -1.7371 -1.7203 -1.5590 -1.5437 -1.2194 -1.1972 -1.0770 -1.0607 -0.8314 -0.8190 -0.7247 -0.7180 -0.5629 -0.5542 -0.2138 -0.2093 0.0334 0.0459 0.2375 0.2520 4.7630 4.7687 4.9605 4.9682 5.4112 5.4159 5.9622 5.9632 6.1293 6.1307 6.2276 6.2297 k = 0.0972 0.5442 0.3949 ( 10544 PWs) bands (ev): -13.9692 -13.9692 -13.9166 -13.9166 -13.8925 -13.8924 -13.8391 -13.8391 -7.9155 -7.9150 -6.8452 -6.8446 -6.7046 -6.7041 -6.6120 -6.6119 -4.5542 -4.5533 -3.5015 -3.4928 -3.4183 -3.4052 -3.0099 -2.9973 -2.8441 -2.8293 -2.6485 -2.6415 -2.5512 -2.5466 -2.4692 -2.4637 -2.2891 -2.2857 -1.8265 -1.8151 -1.7360 -1.7203 -1.5689 -1.5542 -1.2198 -1.1998 -1.0718 -1.0562 -0.8398 -0.8278 -0.7195 -0.7129 -0.5704 -0.5618 -0.2206 -0.2167 0.0486 0.0610 0.2355 0.2496 4.7708 4.7762 4.9654 4.9730 5.4168 5.4207 5.9644 5.9653 6.1058 6.1072 6.2167 6.2188 k = 0.0833 0.5517 0.3791 ( 10548 PWs) bands (ev): -13.9705 -13.9705 -13.9172 -13.9172 -13.8914 -13.8914 -13.8381 -13.8381 -7.9162 -7.9158 -6.8474 -6.8468 -6.6993 -6.6990 -6.6166 -6.6165 -4.5542 -4.5534 -3.4950 -3.4870 -3.4023 -3.3903 -3.0222 -3.0102 -2.8360 -2.8226 -2.6501 -2.6441 -2.5472 -2.5426 -2.4661 -2.4607 -2.2958 -2.2924 -1.8337 -1.8234 -1.7353 -1.7209 -1.5777 -1.5641 -1.2201 -1.2024 -1.0664 -1.0520 -0.8476 -0.8362 -0.7138 -0.7073 -0.5780 -0.5697 -0.2266 -0.2232 0.0635 0.0756 0.2328 0.2464 4.7772 4.7823 4.9707 4.9778 5.4228 5.4262 5.9657 5.9665 6.0850 6.0863 6.2053 6.2072 k = 0.0694 0.5593 0.3633 ( 10534 PWs) bands (ev): -13.9716 -13.9716 -13.9177 -13.9177 -13.8905 -13.8905 -13.8373 -13.8373 -7.9169 -7.9165 -6.8492 -6.8488 -6.6942 -6.6939 -6.6212 -6.6211 -4.5543 -4.5536 -3.4891 -3.4821 -3.3864 -3.3758 -3.0347 -3.0237 -2.8276 -2.8158 -2.6517 -2.6467 -2.5427 -2.5382 -2.4631 -2.4579 -2.3026 -2.2992 -1.8403 -1.8312 -1.7347 -1.7220 -1.5850 -1.5729 -1.2201 -1.2051 -1.0612 -1.0482 -0.8545 -0.8442 -0.7079 -0.7015 -0.5856 -0.5777 -0.2317 -0.2289 0.0777 0.0893 0.2296 0.2425 4.7823 4.7867 4.9763 4.9828 5.4290 5.4319 5.9657 5.9665 6.0677 6.0688 6.1940 6.1956 k = 0.0556 0.5668 0.3475 ( 10534 PWs) bands (ev): -13.9726 -13.9726 -13.9182 -13.9182 -13.8897 -13.8897 -13.8366 -13.8366 -7.9174 -7.9171 -6.8508 -6.8505 -6.6894 -6.6890 -6.6256 -6.6255 -4.5543 -4.5538 -3.4839 -3.4781 -3.3714 -3.3623 -3.0467 -3.0371 -2.8196 -2.8096 -2.6530 -2.6491 -2.5378 -2.5336 -2.4605 -2.4556 -2.3091 -2.3060 -1.8461 -1.8385 -1.7343 -1.7237 -1.5907 -1.5805 -1.2199 -1.2077 -1.0561 -1.0451 -0.8603 -0.8514 -0.7018 -0.6959 -0.5928 -0.5856 -0.2358 -0.2336 0.0910 0.1017 0.2261 0.2378 4.7859 4.7896 4.9820 4.9875 5.4348 5.4371 5.9646 5.9654 6.0544 6.0553 6.1835 6.1849 k = 0.0417 0.5743 0.3317 ( 10536 PWs) bands (ev): -13.9733 -13.9733 -13.9186 -13.9186 -13.8890 -13.8890 -13.8360 -13.8360 -7.9178 -7.9176 -6.8521 -6.8518 -6.6849 -6.6846 -6.6297 -6.6296 -4.5543 -4.5539 -3.4796 -3.4750 -3.3580 -3.3506 -3.0572 -3.0494 -2.8125 -2.8046 -2.6541 -2.6512 -2.5329 -2.5294 -2.4582 -2.4539 -2.3149 -2.3123 -1.8507 -1.8448 -1.7339 -1.7257 -1.5947 -1.5867 -1.2194 -1.2101 -1.0515 -1.0428 -0.8648 -0.8576 -0.6959 -0.6907 -0.5992 -0.5930 -0.2391 -0.2374 0.1030 0.1122 0.2228 0.2328 4.7884 4.7912 4.9874 4.9916 5.4397 5.4416 5.9626 5.9633 6.0450 6.0457 6.1745 6.1756 k = 0.0278 0.5818 0.3159 ( 10536 PWs) bands (ev): -13.9739 -13.9739 -13.9189 -13.9189 -13.8885 -13.8885 -13.8356 -13.8356 -7.9181 -7.9180 -6.8530 -6.8528 -6.6812 -6.6810 -6.6332 -6.6331 -4.5543 -4.5541 -3.4762 -3.4731 -3.3470 -3.3418 -3.0653 -3.0596 -2.8066 -2.8012 -2.6548 -2.6530 -2.5285 -2.5259 -2.4563 -2.4531 -2.3194 -2.3174 -1.8538 -1.8498 -1.7333 -1.7278 -1.5971 -1.5916 -1.2186 -1.2124 -1.0476 -1.0416 -0.8677 -0.8627 -0.6906 -0.6866 -0.6041 -0.5994 -0.2413 -0.2402 0.1130 0.1200 0.2202 0.2278 4.7901 4.7920 4.9919 4.9948 5.4436 5.4449 5.9605 5.9610 6.0392 6.0396 6.1676 6.1683 k = 0.0139 0.5894 0.3001 ( 10540 PWs) bands (ev): -13.9742 -13.9742 -13.9191 -13.9191 -13.8882 -13.8882 -13.8354 -13.8354 -7.9183 -7.9183 -6.8535 -6.8534 -6.6786 -6.6785 -6.6355 -6.6355 -4.5543 -4.5542 -3.4738 -3.4722 -3.3394 -3.3366 -3.0699 -3.0670 -2.8024 -2.7996 -2.6551 -2.6542 -2.5252 -2.5239 -2.4548 -2.4531 -2.3221 -2.3210 -1.8554 -1.8534 -1.7325 -1.7297 -1.5978 -1.5951 -1.2175 -1.2144 -1.0445 -1.0414 -0.8689 -0.8663 -0.6865 -0.6843 -0.6068 -0.6043 -0.2426 -0.2420 0.1204 0.1242 0.2192 0.2233 4.7911 4.7921 4.9951 4.9966 5.4461 5.4468 5.9588 5.9591 6.0361 6.0363 6.1633 6.1637 k = 0.0000 0.5969 0.2843 ( 10536 PWs) bands (ev): -13.9743 -13.9743 -13.9192 -13.9192 -13.8881 -13.8881 -13.8353 -13.8353 -7.9184 -7.9184 -6.8537 -6.8537 -6.6777 -6.6777 -6.6364 -6.6364 -4.5543 -4.5543 -3.4724 -3.4724 -3.3358 -3.3358 -3.0705 -3.0705 -2.8000 -2.8000 -2.6549 -2.6549 -2.5236 -2.5236 -2.4537 -2.4537 -2.3226 -2.3226 -1.8553 -1.8553 -1.7313 -1.7313 -1.5971 -1.5971 -1.2161 -1.2161 -1.0424 -1.0424 -0.8684 -0.8684 -0.6843 -0.6843 -0.6069 -0.6069 -0.2428 -0.2428 0.1244 0.1244 0.2203 0.2203 4.7918 4.7918 4.9967 4.9967 5.4472 5.4472 5.9583 5.9583 6.0352 6.0352 6.1620 6.1620 k = 0.0000 0.5969 0.2843 ( 10536 PWs) bands (ev): -13.9743 -13.9743 -13.9192 -13.9192 -13.8881 -13.8881 -13.8353 -13.8353 -7.9184 -7.9184 -6.8537 -6.8537 -6.6777 -6.6777 -6.6364 -6.6364 -4.5543 -4.5543 -3.4724 -3.4724 -3.3358 -3.3358 -3.0705 -3.0705 -2.8000 -2.8000 -2.6549 -2.6549 -2.5236 -2.5236 -2.4537 -2.4537 -2.3226 -2.3226 -1.8553 -1.8553 -1.7313 -1.7313 -1.5971 -1.5971 -1.2161 -1.2161 -1.0424 -1.0424 -0.8684 -0.8684 -0.6843 -0.6843 -0.6069 -0.6069 -0.2428 -0.2428 0.1244 0.1244 0.2203 0.2203 4.7918 4.7918 4.9967 4.9967 5.4472 5.4472 5.9583 5.9583 6.0352 6.0352 6.1620 6.1620 k =-0.0180 0.5907 0.2973 ( 10542 PWs) bands (ev): -13.9742 -13.9742 -13.9192 -13.9192 -13.8887 -13.8887 -13.8347 -13.8347 -7.9189 -7.9189 -6.8544 -6.8543 -6.6768 -6.6768 -6.6359 -6.6359 -4.5543 -4.5542 -3.4720 -3.4713 -3.3353 -3.3347 -3.0709 -3.0707 -2.8004 -2.7997 -2.6571 -2.6557 -2.5254 -2.5245 -2.4534 -2.4516 -2.3221 -2.3212 -1.8566 -1.8536 -1.7315 -1.7294 -1.5979 -1.5967 -1.2178 -1.2161 -1.0440 -1.0405 -0.8689 -0.8678 -0.6859 -0.6841 -0.6075 -0.6063 -0.2427 -0.2422 0.1235 0.1235 0.2188 0.2193 4.7930 4.7936 4.9972 4.9978 5.4467 5.4471 5.9568 5.9573 6.0341 6.0345 6.1655 6.1659 k =-0.0361 0.5846 0.3102 ( 10538 PWs) bands (ev): -13.9739 -13.9739 -13.9193 -13.9193 -13.8904 -13.8904 -13.8331 -13.8331 -7.9205 -7.9205 -6.8566 -6.8564 -6.6743 -6.6742 -6.6346 -6.6345 -4.5542 -4.5540 -3.4699 -3.4686 -3.3333 -3.3320 -3.0719 -3.0714 -2.8010 -2.7996 -2.6620 -2.6593 -2.5298 -2.5279 -2.4507 -2.4472 -2.3198 -2.3181 -1.8576 -1.8516 -1.7300 -1.7258 -1.5991 -1.5967 -1.2211 -1.2178 -1.0453 -1.0382 -0.8693 -0.8671 -0.6890 -0.6855 -0.6079 -0.6057 -0.2420 -0.2409 0.1209 0.1210 0.2148 0.2158 4.7972 4.7983 4.9993 5.0003 5.4456 5.4463 5.9532 5.9541 6.0313 6.0319 6.1763 6.1769 k =-0.0541 0.5784 0.3231 ( 10544 PWs) bands (ev): -13.9734 -13.9734 -13.9195 -13.9195 -13.8931 -13.8931 -13.8307 -13.8307 -7.9232 -7.9232 -6.8599 -6.8597 -6.6702 -6.6700 -6.6323 -6.6322 -4.5540 -4.5537 -3.4664 -3.4644 -3.3298 -3.3278 -3.0735 -3.0727 -2.8018 -2.7998 -2.6694 -2.6655 -2.5361 -2.5334 -2.4459 -2.4408 -2.3161 -2.3137 -1.8583 -1.8495 -1.7268 -1.7206 -1.6007 -1.5970 -1.2261 -1.2213 -1.0461 -1.0358 -0.8694 -0.8662 -0.6935 -0.6884 -0.6082 -0.6051 -0.2405 -0.2389 0.1166 0.1168 0.2084 0.2098 4.8042 4.8059 5.0028 5.0043 5.4438 5.4448 5.9480 5.9493 6.0270 6.0275 6.1937 6.1944 k =-0.0721 0.5723 0.3360 ( 10548 PWs) bands (ev): -13.9728 -13.9728 -13.9198 -13.9197 -13.8964 -13.8964 -13.8276 -13.8276 -7.9268 -7.9268 -6.8643 -6.8641 -6.6647 -6.6645 -6.6292 -6.6290 -4.5537 -4.5534 -3.4615 -3.4588 -3.3247 -3.3221 -3.0756 -3.0745 -2.8029 -2.8003 -2.6789 -2.6741 -2.5437 -2.5403 -2.4391 -2.4328 -2.3115 -2.3086 -1.8586 -1.8472 -1.7221 -1.7142 -1.6025 -1.5976 -1.2325 -1.2265 -1.0465 -1.0333 -0.8692 -0.8650 -0.6993 -0.6927 -0.6085 -0.6046 -0.2383 -0.2362 0.1108 0.1111 0.1997 0.2016 4.8139 4.8161 5.0077 5.0097 5.4411 5.4425 5.9422 5.9436 6.0212 6.0217 6.2167 6.2175 k =-0.0902 0.5661 0.3490 ( 10546 PWs) bands (ev): -13.9720 -13.9720 -13.9201 -13.9201 -13.9003 -13.9002 -13.8240 -13.8240 -7.9314 -7.9314 -6.8695 -6.8692 -6.6582 -6.6579 -6.6253 -6.6251 -4.5534 -4.5530 -3.4554 -3.4520 -3.3181 -3.3148 -3.0780 -3.0767 -2.8044 -2.8014 -2.6902 -2.6845 -2.5516 -2.5478 -2.4309 -2.4234 -2.3065 -2.3033 -1.8588 -1.8451 -1.7161 -1.7065 -1.6046 -1.5984 -1.2405 -1.2334 -1.0465 -1.0307 -0.8686 -0.8635 -0.7062 -0.6982 -0.6087 -0.6042 -0.2354 -0.2328 0.1035 0.1038 0.1888 0.1911 4.8261 4.8287 5.0137 5.0162 5.4375 5.4393 5.9363 5.9380 6.0141 6.0147 6.2447 6.2455 k =-0.1082 0.5600 0.3619 ( 10538 PWs) bands (ev): -13.9710 -13.9710 -13.9205 -13.9204 -13.9044 -13.9044 -13.8202 -13.8202 -7.9369 -7.9368 -6.8752 -6.8749 -6.6507 -6.6505 -6.6207 -6.6204 -4.5529 -4.5524 -3.4482 -3.4441 -3.3100 -3.3060 -3.0808 -3.0794 -2.8065 -2.8031 -2.7029 -2.6965 -2.5592 -2.5551 -2.4215 -2.4132 -2.3016 -2.2982 -1.8588 -1.8431 -1.7090 -1.6981 -1.6069 -1.5992 -1.2499 -1.2420 -1.0460 -1.0282 -0.8674 -0.8617 -0.7141 -0.7049 -0.6088 -0.6039 -0.2318 -0.2288 0.0947 0.0952 0.1759 0.1786 4.8404 4.8435 5.0207 5.0237 5.4328 5.4348 5.9311 5.9329 6.0063 6.0069 6.2769 6.2776 k =-0.1262 0.5538 0.3748 ( 10542 PWs) bands (ev): -13.9699 -13.9699 -13.9209 -13.9209 -13.9088 -13.9088 -13.8163 -13.8163 -7.9431 -7.9430 -6.8813 -6.8810 -6.6426 -6.6423 -6.6156 -6.6152 -4.5524 -4.5518 -3.4402 -3.4355 -3.3004 -3.2958 -3.0839 -3.0823 -2.8093 -2.8058 -2.7168 -2.7097 -2.5657 -2.5615 -2.4115 -2.4024 -2.2971 -2.2936 -1.8588 -1.8414 -1.7011 -1.6890 -1.6092 -1.6001 -1.2606 -1.2522 -1.0453 -1.0258 -0.8656 -0.8593 -0.7227 -0.7125 -0.6089 -0.6037 -0.2275 -0.2240 0.0848 0.0853 0.1613 0.1643 4.8564 4.8600 5.0284 5.0318 5.4266 5.4290 5.9269 5.9288 5.9980 5.9988 6.3127 6.3134 k =-0.1443 0.5476 0.3877 ( 10548 PWs) bands (ev): -13.9686 -13.9686 -13.9214 -13.9214 -13.9133 -13.9132 -13.8123 -13.8123 -7.9500 -7.9499 -6.8876 -6.8873 -6.6340 -6.6337 -6.6098 -6.6094 -4.5518 -4.5512 -3.4316 -3.4263 -3.2894 -3.2842 -3.0870 -3.0854 -2.8130 -2.8095 -2.7315 -2.7239 -2.5705 -2.5665 -2.4009 -2.3914 -2.2932 -2.2896 -1.8589 -1.8402 -1.6926 -1.6796 -1.6114 -1.6008 -1.2726 -1.2637 -1.0442 -1.0236 -0.8631 -0.8564 -0.7319 -0.7207 -0.6090 -0.6037 -0.2225 -0.2186 0.0737 0.0743 0.1450 0.1483 4.8740 4.8779 5.0365 5.0403 5.4187 5.4214 5.9243 5.9261 5.9898 5.9908 6.3515 6.3522 k =-0.1623 0.5415 0.4006 ( 10542 PWs) bands (ev): -13.9673 -13.9673 -13.9219 -13.9219 -13.9177 -13.9177 -13.8083 -13.8083 -7.9574 -7.9573 -6.8939 -6.8936 -6.6250 -6.6247 -6.6037 -6.6031 -4.5511 -4.5504 -3.4227 -3.4168 -3.2770 -3.2712 -3.0901 -3.0886 -2.8178 -2.8144 -2.7470 -2.7388 -2.5733 -2.5695 -2.3902 -2.3803 -2.2901 -2.2864 -1.8594 -1.8396 -1.6839 -1.6703 -1.6134 -1.6013 -1.2856 -1.2765 -1.0431 -1.0218 -0.8599 -0.8530 -0.7414 -0.7295 -0.6090 -0.6037 -0.2167 -0.2126 0.0617 0.0624 0.1275 0.1311 4.8927 4.8969 5.0447 5.0489 5.4089 5.4118 5.9233 5.9250 5.9825 5.9836 6.3927 6.3935 k =-0.1803 0.5353 0.4136 ( 10548 PWs) bands (ev): -13.9659 -13.9659 -13.9231 -13.9231 -13.9216 -13.9216 -13.8043 -13.8043 -7.9653 -7.9652 -6.9001 -6.8998 -6.6159 -6.6155 -6.5972 -6.5966 -4.5503 -4.5496 -3.4138 -3.4075 -3.2633 -3.2569 -3.0930 -3.0915 -2.8237 -2.8207 -2.7628 -2.7542 -2.5740 -2.5704 -2.3795 -2.3694 -2.2878 -2.2840 -1.8603 -1.8398 -1.6751 -1.6612 -1.6150 -1.6015 -1.2995 -1.2903 -1.0419 -1.0205 -0.8558 -0.8490 -0.7509 -0.7384 -0.6090 -0.6038 -0.2104 -0.2060 0.0490 0.0497 0.1090 0.1128 4.9121 4.9166 5.0527 5.0573 5.3970 5.4001 5.9235 5.9250 5.9770 5.9783 6.4357 6.4365 k =-0.1984 0.5292 0.4265 ( 10546 PWs) bands (ev): -13.9645 -13.9644 -13.9270 -13.9270 -13.9226 -13.9226 -13.8005 -13.8004 -7.9734 -7.9734 -6.9060 -6.9058 -6.6068 -6.6062 -6.5906 -6.5898 -4.5496 -4.5488 -3.4052 -3.3985 -3.2483 -3.2414 -3.0955 -3.0942 -2.8309 -2.8283 -2.7787 -2.7698 -2.5726 -2.5692 -2.3689 -2.3587 -2.2863 -2.2824 -1.8618 -1.8410 -1.6665 -1.6526 -1.6160 -1.6012 -1.3142 -1.3049 -1.0408 -1.0198 -0.8511 -0.8444 -0.7601 -0.7473 -0.6089 -0.6039 -0.2035 -0.1989 0.0357 0.0365 0.0897 0.0937 4.9319 4.9367 5.0603 5.0652 5.3829 5.3861 5.9239 5.9252 5.9748 5.9762 6.4797 6.4806 k =-0.2164 0.5230 0.4394 ( 10547 PWs) bands (ev): -13.9631 -13.9630 -13.9313 -13.9312 -13.9231 -13.9231 -13.7967 -13.7967 -7.9818 -7.9818 -6.9117 -6.9115 -6.5976 -6.5970 -6.5837 -6.5830 -4.5487 -4.5480 -3.3970 -3.3903 -3.2322 -3.2249 -3.0974 -3.0964 -2.8394 -2.8373 -2.7945 -2.7852 -2.5690 -2.5659 -2.3586 -2.3483 -2.2855 -2.2815 -1.8640 -1.8433 -1.6581 -1.6447 -1.6164 -1.6005 -1.3294 -1.3200 -1.0398 -1.0196 -0.8457 -0.8394 -0.7688 -0.7559 -0.6086 -0.6039 -0.1962 -0.1913 0.0220 0.0229 0.0700 0.0741 4.9517 4.9567 5.0671 5.0723 5.3667 5.3700 5.9233 5.9243 5.9775 5.9788 6.5239 6.5249 k =-0.2344 0.5169 0.4523 ( 10558 PWs) bands (ev): -13.9617 -13.9617 -13.9355 -13.9355 -13.9235 -13.9234 -13.7931 -13.7931 -7.9903 -7.9903 -6.9170 -6.9168 -6.5886 -6.5879 -6.5769 -6.5761 -4.5479 -4.5472 -3.3896 -3.3830 -3.2151 -3.2076 -3.0987 -3.0979 -2.8494 -2.8477 -2.8098 -2.8005 -2.5637 -2.5607 -2.3487 -2.3385 -2.2854 -2.2813 -1.8670 -1.8468 -1.6501 -1.6376 -1.6159 -1.5995 -1.3449 -1.3356 -1.0390 -1.0200 -0.8398 -0.8341 -0.7768 -0.7639 -0.6081 -0.6038 -0.1884 -0.1835 0.0081 0.0092 0.0501 0.0543 4.9713 4.9764 5.0730 5.0784 5.3486 5.3519 5.9210 5.9218 5.9853 5.9866 6.5672 6.5683 k =-0.2525 0.5107 0.4653 ( 10554 PWs) bands (ev): -13.9606 -13.9605 -13.9395 -13.9395 -13.9236 -13.9236 -13.7897 -13.7896 -7.9988 -7.9987 -6.9219 -6.9217 -6.5797 -6.5790 -6.5701 -6.5692 -4.5472 -4.5465 -3.3832 -3.3768 -3.1972 -3.1896 -3.0992 -3.0986 -2.8607 -2.8592 -2.8245 -2.8152 -2.5567 -2.5540 -2.3391 -2.3292 -2.2858 -2.2815 -1.8710 -1.8515 -1.6425 -1.6313 -1.6144 -1.5980 -1.3605 -1.3513 -1.0384 -1.0209 -0.8337 -0.8286 -0.7837 -0.7713 -0.6073 -0.6035 -0.1804 -0.1753 -0.0057 -0.0046 0.0305 0.0347 4.9902 4.9955 5.0778 5.0834 5.3289 5.3323 5.9177 5.9184 5.9973 5.9984 6.6081 6.6092 k =-0.2705 0.5045 0.4782 ( 10551 PWs) bands (ev): -13.9596 -13.9596 -13.9434 -13.9434 -13.9235 -13.9235 -13.7864 -13.7864 -8.0071 -8.0071 -6.9263 -6.9261 -6.5712 -6.5704 -6.5634 -6.5625 -4.5465 -4.5458 -3.3779 -3.3720 -3.1788 -3.1712 -3.0990 -3.0982 -2.8733 -2.8719 -2.8382 -2.8293 -2.5485 -2.5460 -2.3301 -2.3205 -2.2865 -2.2821 -1.8758 -1.8576 -1.6352 -1.6259 -1.6119 -1.5964 -1.3760 -1.3671 -1.0378 -1.0222 -0.8275 -0.8231 -0.7895 -0.7777 -0.6062 -0.6030 -0.1722 -0.1671 -0.0194 -0.0181 0.0112 0.0155 5.0082 5.0136 5.0813 5.0871 5.3080 5.3115 5.9143 5.9150 6.0120 6.0130 6.6439 6.6448 k =-0.2885 0.4984 0.4911 ( 10556 PWs) bands (ev): -13.9590 -13.9590 -13.9471 -13.9471 -13.9231 -13.9231 -13.7833 -13.7833 -8.0152 -8.0152 -6.9302 -6.9300 -6.5630 -6.5622 -6.5569 -6.5560 -4.5459 -4.5452 -3.3738 -3.3685 -3.1603 -3.1529 -3.0978 -3.0967 -2.8869 -2.8856 -2.8509 -2.8426 -2.5394 -2.5371 -2.3216 -2.3124 -2.2874 -2.2829 -1.8816 -1.8651 -1.6284 -1.6211 -1.6085 -1.5945 -1.3912 -1.3827 -1.0372 -1.0237 -0.8215 -0.8177 -0.7939 -0.7832 -0.6049 -0.6021 -0.1639 -0.1588 -0.0326 -0.0312 -0.0073 -0.0030 5.0249 5.0304 5.0834 5.0893 5.2866 5.2900 5.9114 5.9120 6.0282 6.0290 6.6710 6.6717 k =-0.3066 0.4922 0.5040 ( 10565 PWs) bands (ev): -13.9588 -13.9588 -13.9506 -13.9506 -13.9224 -13.9224 -13.7804 -13.7804 -8.0230 -8.0230 -6.9335 -6.9334 -6.5553 -6.5545 -6.5506 -6.5498 -4.5454 -4.5448 -3.3709 -3.3664 -3.1420 -3.1350 -3.0958 -3.0943 -2.9013 -2.9001 -2.8624 -2.8549 -2.5299 -2.5279 -2.3137 -2.3051 -2.2883 -2.2837 -1.8883 -1.8738 -1.6219 -1.6164 -1.6044 -1.5925 -1.4059 -1.3980 -1.0365 -1.0251 -0.8159 -0.8127 -0.7969 -0.7875 -0.6032 -0.6010 -0.1556 -0.1506 -0.0453 -0.0438 -0.0248 -0.0206 5.0398 5.0454 5.0841 5.0901 5.2653 5.2686 5.9096 5.9101 6.0447 6.0454 6.6878 6.6883 k =-0.3246 0.4861 0.5170 ( 10582 PWs) bands (ev): -13.9590 -13.9590 -13.9538 -13.9538 -13.9213 -13.9213 -13.7777 -13.7777 -8.0304 -8.0303 -6.9363 -6.9362 -6.5481 -6.5474 -6.5446 -6.5438 -4.5451 -4.5446 -3.3692 -3.3656 -3.1245 -3.1181 -3.0930 -3.0912 -2.9161 -2.9152 -2.8724 -2.8659 -2.5203 -2.5187 -2.3064 -2.2986 -2.2887 -2.2842 -1.8959 -1.8837 -1.6159 -1.6116 -1.5999 -1.5904 -1.4197 -1.4127 -1.0355 -1.0264 -0.8109 -0.8083 -0.7985 -0.7907 -0.6012 -0.5996 -0.1475 -0.1427 -0.0573 -0.0557 -0.0410 -0.0370 5.0525 5.0581 5.0832 5.0893 5.2448 5.2480 5.9091 5.9095 6.0605 6.0612 6.6970 6.6973 k =-0.3427 0.4799 0.5299 ( 10582 PWs) bands (ev): -13.9597 -13.9597 -13.9568 -13.9568 -13.9198 -13.9198 -13.7752 -13.7752 -8.0372 -8.0372 -6.9385 -6.9385 -6.5415 -6.5410 -6.5387 -6.5381 -4.5449 -4.5445 -3.3687 -3.3659 -3.1085 -3.1032 -3.0895 -3.0875 -2.9311 -2.9304 -2.8805 -2.8752 -2.5112 -2.5099 -2.2999 -2.2932 -2.2884 -2.2842 -1.9041 -1.8946 -1.6102 -1.6067 -1.5952 -1.5881 -1.4325 -1.4266 -1.0341 -1.0273 -0.8066 -0.8048 -0.7984 -0.7926 -0.5990 -0.5979 -0.1397 -0.1352 -0.0684 -0.0668 -0.0555 -0.0520 5.0622 5.0678 5.0807 5.0868 5.2263 5.2292 5.9101 5.9104 6.0751 6.0756 6.7017 6.7019 k =-0.3607 0.4738 0.5428 ( 10584 PWs) bands (ev): -13.9608 -13.9608 -13.9595 -13.9595 -13.9179 -13.9179 -13.7729 -13.7729 -8.0435 -8.0435 -6.9402 -6.9401 -6.5356 -6.5353 -6.5331 -6.5328 -4.5450 -4.5447 -3.3692 -3.3674 -3.0950 -3.0911 -3.0856 -3.0835 -2.9460 -2.9454 -2.8859 -2.8821 -2.5030 -2.5021 -2.2942 -2.2899 -2.2861 -2.2835 -1.9128 -1.9063 -1.6047 -1.6020 -1.5904 -1.5857 -1.4437 -1.4393 -1.0321 -1.0277 -0.8031 -0.8022 -0.7967 -0.7934 -0.5967 -0.5960 -0.1324 -0.1285 -0.0784 -0.0769 -0.0680 -0.0653 5.0677 5.0730 5.0767 5.0825 5.2112 5.2134 5.9129 5.9131 6.0877 6.0881 6.7035 6.7036 k =-0.3787 0.4676 0.5557 ( 10588 PWs) bands (ev): -13.9623 -13.9623 -13.9620 -13.9620 -13.9158 -13.9157 -13.7708 -13.7708 -8.0491 -8.0491 -6.9412 -6.9412 -6.5304 -6.5303 -6.5279 -6.5279 -4.5453 -4.5451 -3.3706 -3.3697 -3.0853 -3.0835 -3.0810 -3.0795 -2.9602 -2.9598 -2.8879 -2.8859 -2.4961 -2.4956 -2.2896 -2.2879 -2.2828 -2.2820 -1.9217 -1.9184 -1.5993 -1.5978 -1.5855 -1.5831 -1.4529 -1.4505 -1.0296 -1.0274 -0.8003 -0.7998 -0.7942 -0.7929 -0.5942 -0.5939 -0.1259 -0.1233 -0.0869 -0.0858 -0.0782 -0.0766 5.0678 5.0698 5.0739 5.0764 5.2010 5.2022 5.9175 5.9176 6.0982 6.0984 6.7033 6.7034 k =-0.3968 0.4615 0.5687 ( 10590 PWs) bands (ev): -13.9641 -13.9641 -13.9641 -13.9641 -13.9133 -13.9133 -13.7690 -13.7690 -8.0541 -8.0541 -6.9417 -6.9417 -6.5258 -6.5258 -6.5234 -6.5234 -4.5458 -4.5458 -3.3727 -3.3727 -3.0804 -3.0804 -3.0767 -3.0767 -2.9731 -2.9731 -2.8858 -2.8858 -2.4907 -2.4907 -2.2859 -2.2859 -2.2798 -2.2798 -1.9305 -1.9305 -1.5943 -1.5943 -1.5806 -1.5806 -1.4596 -1.4596 -1.0264 -1.0264 -0.7976 -0.7976 -0.7915 -0.7915 -0.5918 -0.5918 -0.1211 -0.1211 -0.0928 -0.0928 -0.0855 -0.0855 5.0618 5.0618 5.0680 5.0680 5.1966 5.1966 5.9240 5.9240 6.1064 6.1064 6.7016 6.7016 k =-0.3968 0.4615 0.5687 ( 10590 PWs) bands (ev): -13.9641 -13.9641 -13.9641 -13.9641 -13.9133 -13.9133 -13.7690 -13.7690 -8.0541 -8.0541 -6.9417 -6.9417 -6.5258 -6.5258 -6.5234 -6.5234 -4.5458 -4.5458 -3.3727 -3.3727 -3.0804 -3.0804 -3.0767 -3.0767 -2.9731 -2.9731 -2.8858 -2.8858 -2.4907 -2.4907 -2.2859 -2.2859 -2.2798 -2.2798 -1.9305 -1.9305 -1.5943 -1.5943 -1.5806 -1.5806 -1.4596 -1.4596 -1.0264 -1.0264 -0.7976 -0.7976 -0.7915 -0.7915 -0.5918 -0.5918 -0.1211 -0.1211 -0.0928 -0.0928 -0.0855 -0.0855 5.0618 5.0618 5.0680 5.0680 5.1966 5.1966 5.9240 5.9240 6.1064 6.1064 6.7016 6.7016 k =-0.4071 0.4424 0.5687 ( 10590 PWs) bands (ev): -13.9671 -13.9671 -13.9671 -13.9671 -13.9095 -13.9095 -13.7664 -13.7664 -8.0609 -8.0609 -6.9418 -6.9418 -6.5196 -6.5196 -6.5172 -6.5172 -4.5471 -4.5471 -3.3768 -3.3768 -3.0772 -3.0772 -3.0733 -3.0733 -2.9910 -2.9910 -2.8810 -2.8810 -2.4841 -2.4841 -2.2821 -2.2821 -2.2763 -2.2763 -1.9458 -1.9458 -1.5888 -1.5888 -1.5753 -1.5753 -1.4696 -1.4696 -1.0228 -1.0228 -0.7937 -0.7937 -0.7880 -0.7880 -0.5885 -0.5885 -0.1194 -0.1194 -0.0993 -0.0993 -0.0948 -0.0948 5.0482 5.0482 5.0542 5.0542 5.1936 5.1936 5.9357 5.9357 6.1162 6.1162 6.6976 6.6976 k =-0.4174 0.4233 0.5687 ( 10554 PWs) bands (ev): -13.9698 -13.9698 -13.9698 -13.9698 -13.9061 -13.9061 -13.7641 -13.7641 -8.0671 -8.0671 -6.9417 -6.9417 -6.5139 -6.5139 -6.5115 -6.5115 -4.5486 -4.5486 -3.3802 -3.3802 -3.0743 -3.0743 -3.0701 -3.0701 -3.0073 -3.0073 -2.8764 -2.8764 -2.4780 -2.4780 -2.2787 -2.2787 -2.2733 -2.2733 -1.9599 -1.9599 -1.5841 -1.5841 -1.5707 -1.5707 -1.4792 -1.4792 -1.0194 -1.0194 -0.7898 -0.7898 -0.7846 -0.7845 -0.5857 -0.5857 -0.1212 -0.1212 -0.1044 -0.1044 -0.1000 -0.1000 5.0353 5.0353 5.0411 5.0412 5.1905 5.1905 5.9477 5.9477 6.1244 6.1244 6.6937 6.6937 k =-0.4277 0.4043 0.5687 ( 10566 PWs) bands (ev): -13.9722 -13.9722 -13.9722 -13.9722 -13.9030 -13.9030 -13.7620 -13.7620 -8.0727 -8.0727 -6.9415 -6.9415 -6.5088 -6.5088 -6.5064 -6.5064 -4.5502 -4.5502 -3.3832 -3.3832 -3.0717 -3.0717 -3.0672 -3.0672 -3.0217 -3.0217 -2.8722 -2.8722 -2.4724 -2.4724 -2.2759 -2.2759 -2.2708 -2.2708 -1.9726 -1.9726 -1.5802 -1.5802 -1.5668 -1.5668 -1.4882 -1.4882 -1.0162 -1.0162 -0.7861 -0.7861 -0.7813 -0.7813 -0.5833 -0.5833 -0.1259 -0.1259 -0.1115 -0.1115 -0.0986 -0.0986 5.0234 5.0234 5.0291 5.0291 5.1875 5.1875 5.9597 5.9597 6.1309 6.1309 6.6899 6.6899 k =-0.4381 0.3852 0.5687 ( 10558 PWs) bands (ev): -13.9743 -13.9743 -13.9743 -13.9743 -13.9003 -13.9003 -13.7602 -13.7602 -8.0776 -8.0776 -6.9412 -6.9412 -6.5043 -6.5043 -6.5019 -6.5019 -4.5518 -4.5518 -3.3855 -3.3855 -3.0696 -3.0696 -3.0647 -3.0647 -3.0342 -3.0342 -2.8684 -2.8684 -2.4674 -2.4674 -2.2735 -2.2735 -2.2688 -2.2688 -1.9838 -1.9838 -1.5771 -1.5771 -1.5634 -1.5634 -1.4963 -1.4963 -1.0134 -1.0134 -0.7827 -0.7827 -0.7782 -0.7782 -0.5814 -0.5814 -0.1310 -0.1310 -0.1179 -0.1179 -0.0956 -0.0956 5.0127 5.0127 5.0183 5.0183 5.1848 5.1848 5.9712 5.9712 6.1358 6.1358 6.6866 6.6866 k =-0.4484 0.3662 0.5687 ( 10534 PWs) bands (ev): -13.9761 -13.9761 -13.9761 -13.9761 -13.8980 -13.8980 -13.7587 -13.7587 -8.0818 -8.0818 -6.9409 -6.9409 -6.5004 -6.5004 -6.4981 -6.4981 -4.5533 -4.5533 -3.3874 -3.3874 -3.0681 -3.0681 -3.0625 -3.0625 -3.0445 -3.0445 -2.8650 -2.8650 -2.4630 -2.4630 -2.2716 -2.2716 -2.2671 -2.2671 -1.9934 -1.9934 -1.5746 -1.5746 -1.5607 -1.5607 -1.5035 -1.5035 -1.0109 -1.0109 -0.7796 -0.7796 -0.7756 -0.7756 -0.5798 -0.5798 -0.1358 -0.1358 -0.1233 -0.1233 -0.0925 -0.0925 5.0033 5.0033 5.0089 5.0089 5.1824 5.1824 5.9819 5.9819 6.1393 6.1393 6.6836 6.6836 k =-0.4587 0.3471 0.5687 ( 10518 PWs) bands (ev): -13.9776 -13.9776 -13.9776 -13.9776 -13.8961 -13.8961 -13.7574 -13.7574 -8.0853 -8.0853 -6.9405 -6.9405 -6.4973 -6.4973 -6.4949 -6.4949 -4.5547 -4.5547 -3.3888 -3.3888 -3.0677 -3.0676 -3.0607 -3.0607 -3.0521 -3.0521 -2.8622 -2.8622 -2.4593 -2.4593 -2.2700 -2.2700 -2.2657 -2.2657 -2.0014 -2.0014 -1.5727 -1.5727 -1.5585 -1.5585 -1.5095 -1.5095 -1.0089 -1.0089 -0.7769 -0.7769 -0.7733 -0.7733 -0.5785 -0.5785 -0.1398 -0.1398 -0.1276 -0.1276 -0.0896 -0.0896 4.9954 4.9954 5.0010 5.0010 5.1803 5.1803 5.9914 5.9914 6.1416 6.1416 6.6812 6.6812 k =-0.4690 0.3281 0.5687 ( 10526 PWs) bands (ev): -13.9788 -13.9788 -13.9787 -13.9787 -13.8946 -13.8946 -13.7564 -13.7564 -8.0880 -8.0880 -6.9402 -6.9402 -6.4948 -6.4948 -6.4924 -6.4924 -4.5559 -4.5559 -3.3899 -3.3899 -3.0690 -3.0690 -3.0596 -3.0596 -3.0561 -3.0561 -2.8600 -2.8600 -2.4564 -2.4564 -2.2689 -2.2689 -2.2647 -2.2647 -2.0077 -2.0077 -1.5713 -1.5713 -1.5568 -1.5568 -1.5142 -1.5142 -1.0072 -1.0072 -0.7748 -0.7747 -0.7715 -0.7715 -0.5776 -0.5776 -0.1429 -0.1429 -0.1310 -0.1310 -0.0872 -0.0872 4.9891 4.9891 4.9947 4.9947 5.1787 5.1787 5.9994 5.9994 6.1429 6.1429 6.6792 6.6792 k =-0.4794 0.3090 0.5687 ( 10526 PWs) bands (ev): -13.9796 -13.9796 -13.9796 -13.9796 -13.8935 -13.8935 -13.7557 -13.7557 -8.0900 -8.0900 -6.9399 -6.9399 -6.4930 -6.4930 -6.4907 -6.4907 -4.5567 -4.5567 -3.3906 -3.3906 -3.0716 -3.0716 -3.0593 -3.0593 -3.0568 -3.0568 -2.8583 -2.8583 -2.4543 -2.4543 -2.2680 -2.2680 -2.2641 -2.2641 -2.0122 -2.0122 -1.5705 -1.5705 -1.5556 -1.5556 -1.5177 -1.5177 -1.0061 -1.0061 -0.7732 -0.7732 -0.7703 -0.7703 -0.5770 -0.5770 -0.1452 -0.1452 -0.1335 -0.1335 -0.0855 -0.0855 4.9846 4.9846 4.9902 4.9902 5.1775 5.1775 6.0054 6.0054 6.1436 6.1436 6.6778 6.6778 k =-0.4897 0.2899 0.5687 ( 10542 PWs) bands (ev): -13.9801 -13.9801 -13.9801 -13.9801 -13.8928 -13.8928 -13.7553 -13.7553 -8.0912 -8.0912 -6.9398 -6.9398 -6.4920 -6.4920 -6.4896 -6.4896 -4.5573 -4.5573 -3.3910 -3.3910 -3.0737 -3.0737 -3.0593 -3.0593 -3.0565 -3.0565 -2.8573 -2.8573 -2.4531 -2.4531 -2.2676 -2.2676 -2.2637 -2.2637 -2.0150 -2.0150 -1.5700 -1.5700 -1.5549 -1.5549 -1.5197 -1.5197 -1.0053 -1.0053 -0.7722 -0.7722 -0.7695 -0.7695 -0.5766 -0.5766 -0.1466 -0.1466 -0.1349 -0.1349 -0.0844 -0.0844 4.9818 4.9818 4.9874 4.9874 5.1767 5.1767 6.0092 6.0092 6.1438 6.1438 6.6770 6.6770 k =-0.5000 0.2709 0.5687 ( 10530 PWs) bands (ev): -13.9802 -13.9802 -13.9802 -13.9802 -13.8926 -13.8926 -13.7551 -13.7551 -8.0916 -8.0916 -6.9397 -6.9397 -6.4916 -6.4916 -6.4892 -6.4892 -4.5575 -4.5575 -3.3911 -3.3911 -3.0745 -3.0745 -3.0592 -3.0592 -3.0564 -3.0564 -2.8570 -2.8570 -2.4526 -2.4526 -2.2674 -2.2674 -2.2635 -2.2635 -2.0159 -2.0159 -1.5698 -1.5698 -1.5546 -1.5546 -1.5204 -1.5204 -1.0051 -1.0051 -0.7719 -0.7719 -0.7692 -0.7692 -0.5765 -0.5765 -0.1470 -0.1470 -0.1354 -0.1354 -0.0840 -0.0840 4.9809 4.9809 4.9865 4.9865 5.1765 5.1765 6.0105 6.0105 6.1439 6.1439 6.6767 6.6767 k = 0.0000 0.0000 0.5687 ( 10562 PWs) bands (ev): -13.9985 -13.9985 -13.9904 -13.9904 -13.8218 -13.8218 -13.8024 -13.8024 -7.9600 -7.9600 -6.7913 -6.7913 -6.6941 -6.6941 -6.5242 -6.5242 -4.6282 -4.6282 -3.4909 -3.4909 -3.3972 -3.3972 -3.1100 -3.1100 -2.9920 -2.9920 -2.9344 -2.9344 -2.7610 -2.7610 -2.3081 -2.3081 -2.1897 -2.1897 -1.7979 -1.7979 -1.6003 -1.6003 -1.4357 -1.4357 -1.1425 -1.1425 -0.8728 -0.8728 -0.8267 -0.8267 -0.6490 -0.6490 -0.5844 -0.5844 -0.2605 -0.2605 -0.0445 -0.0445 0.4118 0.4118 4.1817 4.1817 4.9931 4.9931 5.4670 5.4670 5.6574 5.6574 6.3234 6.3234 6.7148 6.7148 k = 0.0109 0.0201 0.5687 ( 10542 PWs) bands (ev): -13.9983 -13.9983 -13.9902 -13.9902 -13.8220 -13.8220 -13.8026 -13.8026 -7.9598 -7.9598 -6.7911 -6.7911 -6.6948 -6.6947 -6.5244 -6.5244 -4.6278 -4.6277 -3.4914 -3.4910 -3.3988 -3.3966 -3.1092 -3.1087 -2.9916 -2.9907 -2.9345 -2.9327 -2.7616 -2.7612 -2.3086 -2.3080 -2.1896 -2.1896 -1.7984 -1.7971 -1.6003 -1.6000 -1.4362 -1.4353 -1.1441 -1.1420 -0.8741 -0.8734 -0.8268 -0.8261 -0.6499 -0.6494 -0.5843 -0.5838 -0.2603 -0.2601 -0.0449 -0.0445 0.4109 0.4114 4.1840 4.1840 4.9927 4.9929 5.4664 5.4667 5.6591 5.6591 6.3222 6.3224 6.7132 6.7135 k = 0.0217 0.0401 0.5687 ( 10546 PWs) bands (ev): -13.9978 -13.9978 -13.9897 -13.9897 -13.8226 -13.8226 -13.8031 -13.8031 -7.9592 -7.9591 -6.7906 -6.7906 -6.6966 -6.6964 -6.5251 -6.5251 -4.6266 -4.6265 -3.4926 -3.4918 -3.4016 -3.3972 -3.1063 -3.1054 -2.9894 -2.9876 -2.9330 -2.9297 -2.7628 -2.7621 -2.3097 -2.3085 -2.1894 -2.1893 -1.7985 -1.7958 -1.5999 -1.5993 -1.4368 -1.4350 -1.1467 -1.1426 -0.8772 -0.8759 -0.8263 -0.8249 -0.6523 -0.6512 -0.5837 -0.5827 -0.2596 -0.2591 -0.0458 -0.0450 0.4087 0.4098 4.1907 4.1907 4.9917 4.9920 5.4650 5.4657 5.6643 5.6644 6.3189 6.3194 6.7086 6.7091 k = 0.0326 0.0602 0.5687 ( 10540 PWs) bands (ev): -13.9971 -13.9971 -13.9887 -13.9887 -13.8236 -13.8236 -13.8039 -13.8039 -7.9581 -7.9580 -6.7897 -6.7897 -6.6996 -6.6994 -6.5262 -6.5262 -4.6247 -4.6244 -3.4945 -3.4932 -3.4054 -3.3989 -3.1015 -3.1001 -2.9855 -2.9826 -2.9300 -2.9252 -2.7646 -2.7636 -2.3114 -2.3096 -2.1892 -2.1891 -1.7982 -1.7942 -1.5992 -1.5983 -1.4375 -1.4348 -1.1503 -1.1442 -0.8823 -0.8802 -0.8253 -0.8232 -0.6561 -0.6544 -0.5824 -0.5809 -0.2582 -0.2574 -0.0471 -0.0459 0.4053 0.4070 4.2018 4.2018 4.9901 4.9905 5.4629 5.4640 5.6728 5.6730 6.3136 6.3143 6.7018 6.7094 k = 0.0435 0.0803 0.5687 ( 10540 PWs) bands (ev): -13.9960 -13.9960 -13.9874 -13.9874 -13.8250 -13.8250 -13.8050 -13.8050 -7.9567 -7.9565 -6.7885 -6.7884 -6.7038 -6.7034 -6.5278 -6.5278 -4.6220 -4.6217 -3.4969 -3.4952 -3.4102 -3.4016 -3.0948 -3.0929 -2.9797 -2.9758 -2.9256 -2.9196 -2.7669 -2.7655 -2.3135 -2.3111 -2.1889 -2.1888 -1.7975 -1.7923 -1.5985 -1.5972 -1.4383 -1.4348 -1.1549 -1.1467 -0.8891 -0.8864 -0.8238 -0.8210 -0.6609 -0.6587 -0.5805 -0.5786 -0.2560 -0.2550 -0.0488 -0.0473 0.4007 0.4030 4.2170 4.2171 4.9879 4.9884 5.4601 5.4615 5.6846 5.6848 6.3061 6.3071 6.6914 6.6921 k = 0.0543 0.1003 0.5687 ( 10530 PWs) bands (ev): -13.9947 -13.9946 -13.9858 -13.9858 -13.8268 -13.8268 -13.8065 -13.8065 -7.9548 -7.9546 -6.7869 -6.7868 -6.7089 -6.7084 -6.5298 -6.5297 -4.6187 -4.6183 -3.4998 -3.4978 -3.4158 -3.4054 -3.0864 -3.0841 -2.9721 -2.9669 -2.9199 -2.9130 -2.7694 -2.7678 -2.3162 -2.3133 -2.1887 -2.1886 -1.7965 -1.7901 -1.5980 -1.5962 -1.4393 -1.4349 -1.1602 -1.1501 -0.8976 -0.8944 -0.8219 -0.8185 -0.6668 -0.6641 -0.5782 -0.5757 -0.2531 -0.2518 -0.0510 -0.0491 0.3950 0.3978 4.2362 4.2363 4.9851 4.9858 5.4567 5.4585 5.6994 5.6997 6.2967 6.2979 6.6787 6.6797 k = 0.0652 0.1204 0.5687 ( 10540 PWs) bands (ev): -13.9930 -13.9930 -13.9838 -13.9838 -13.8289 -13.8289 -13.8083 -13.8082 -7.9526 -7.9523 -6.7850 -6.7849 -6.7149 -6.7144 -6.5322 -6.5321 -4.6149 -4.6143 -3.5033 -3.5009 -3.4222 -3.4101 -3.0766 -3.0739 -2.9627 -2.9560 -2.9129 -2.9056 -2.7718 -2.7700 -2.3195 -2.3160 -2.1887 -2.1886 -1.7953 -1.7876 -1.5979 -1.5955 -1.4404 -1.4352 -1.1662 -1.1542 -0.9079 -0.9041 -0.8196 -0.8156 -0.6735 -0.6702 -0.5753 -0.5723 -0.2493 -0.2476 -0.0535 -0.0513 0.3882 0.3916 4.2590 4.2592 4.9819 4.9827 5.4527 5.4549 5.7170 5.7173 6.2853 6.2867 6.6636 6.6650 k = 0.0761 0.1404 0.5687 ( 10548 PWs) bands (ev): -13.9911 -13.9911 -13.9814 -13.9814 -13.8314 -13.8314 -13.8103 -13.8103 -7.9500 -7.9497 -6.7829 -6.7828 -6.7218 -6.7212 -6.5349 -6.5348 -4.6105 -4.6099 -3.5071 -3.5043 -3.4291 -3.4155 -3.0658 -3.0626 -2.9517 -2.9432 -2.9046 -2.8975 -2.7739 -2.7718 -2.3233 -2.3193 -2.1890 -2.1889 -1.7937 -1.7849 -1.5985 -1.5955 -1.4418 -1.4357 -1.1726 -1.1588 -0.9196 -0.9154 -0.8169 -0.8124 -0.6806 -0.6768 -0.5720 -0.5685 -0.2446 -0.2425 -0.0564 -0.0538 0.3805 0.3844 4.2851 4.2853 4.9783 4.9792 5.4484 5.4510 5.7369 5.7373 6.2721 6.2737 6.6460 6.6471 k = 0.0870 0.1605 0.5687 ( 10536 PWs) bands (ev): -13.9890 -13.9890 -13.9787 -13.9787 -13.8343 -13.8343 -13.8126 -13.8126 -7.9472 -7.9468 -6.7804 -6.7803 -6.7293 -6.7286 -6.5379 -6.5378 -4.6058 -4.6051 -3.5112 -3.5081 -3.4366 -3.4216 -3.0542 -3.0506 -2.9394 -2.9285 -2.8948 -2.8886 -2.7751 -2.7730 -2.3276 -2.3232 -2.1897 -2.1896 -1.7920 -1.7821 -1.6002 -1.5966 -1.4435 -1.4365 -1.1793 -1.1637 -0.9327 -0.9280 -0.8141 -0.8091 -0.6880 -0.6837 -0.5683 -0.5643 -0.2389 -0.2362 -0.0596 -0.0567 0.3718 0.3764 4.3140 4.3143 4.9743 4.9753 5.4437 5.4468 5.7590 5.7594 6.2574 6.2592 6.6264 6.6275 k = 0.0978 0.1806 0.5687 ( 10540 PWs) bands (ev): -13.9867 -13.9867 -13.9757 -13.9757 -13.8375 -13.8375 -13.8151 -13.8151 -7.9441 -7.9437 -6.7778 -6.7776 -6.7374 -6.7366 -6.5413 -6.5411 -4.6009 -4.6001 -3.5156 -3.5121 -3.4443 -3.4282 -3.0424 -3.0384 -2.9265 -2.9124 -2.8832 -2.8790 -2.7752 -2.7730 -2.3325 -2.3278 -2.1909 -2.1909 -1.7901 -1.7792 -1.6034 -1.5990 -1.4454 -1.4376 -1.1859 -1.1687 -0.9470 -0.9419 -0.8111 -0.8057 -0.6953 -0.6904 -0.5644 -0.5599 -0.2321 -0.2290 -0.0630 -0.0598 0.3623 0.3676 4.3452 4.3457 4.9700 4.9711 5.4389 5.4424 5.7826 5.7831 6.2415 6.2434 6.6060 6.6069 k = 0.1087 0.2006 0.5687 ( 10540 PWs) bands (ev): -13.9841 -13.9841 -13.9723 -13.9723 -13.8410 -13.8410 -13.8178 -13.8178 -7.9409 -7.9404 -6.7749 -6.7747 -6.7459 -6.7450 -6.5448 -6.5447 -4.5958 -4.5949 -3.5202 -3.5163 -3.4522 -3.4351 -3.0308 -3.0263 -2.9137 -2.8956 -2.8690 -2.8677 -2.7737 -2.7714 -2.3381 -2.3330 -2.1928 -2.1928 -1.7881 -1.7762 -1.6084 -1.6032 -1.4476 -1.4391 -1.1921 -1.1733 -0.9621 -0.9566 -0.8080 -0.8022 -0.7023 -0.6969 -0.5603 -0.5554 -0.2244 -0.2206 -0.0667 -0.0632 0.3522 0.3581 4.3783 4.3790 4.9656 4.9667 5.4340 5.4381 5.8073 5.8078 6.2249 6.2270 6.5850 6.5858 k = 0.1196 0.2207 0.5687 ( 10560 PWs) bands (ev): -13.9814 -13.9814 -13.9687 -13.9687 -13.8448 -13.8448 -13.8207 -13.8207 -7.9375 -7.9370 -6.7718 -6.7717 -6.7546 -6.7536 -6.5486 -6.5484 -4.5907 -4.5897 -3.5248 -3.5206 -3.4602 -3.4423 -3.0200 -3.0150 -2.9020 -2.8803 -2.8532 -2.8518 -2.7700 -2.7678 -2.3443 -2.3390 -2.1954 -2.1953 -1.7861 -1.7733 -1.6155 -1.6094 -1.4502 -1.4409 -1.1978 -1.1775 -0.9779 -0.9720 -0.8049 -0.7988 -0.7089 -0.7029 -0.5561 -0.5508 -0.2157 -0.2113 -0.0705 -0.0668 0.3414 0.3480 4.4127 4.4136 4.9610 4.9622 5.4293 5.4339 5.8324 5.8330 6.2084 6.2106 6.5638 6.5644 k = 0.1304 0.2408 0.5687 ( 10570 PWs) bands (ev): -13.9786 -13.9786 -13.9648 -13.9648 -13.8488 -13.8488 -13.8237 -13.8237 -7.9340 -7.9335 -6.7686 -6.7685 -6.7633 -6.7623 -6.5525 -6.5523 -4.5856 -4.5846 -3.5294 -3.5249 -3.4681 -3.4494 -3.0105 -3.0050 -2.8915 -2.8679 -2.8341 -2.8316 -2.7640 -2.7619 -2.3512 -2.3457 -2.1989 -2.1987 -1.7840 -1.7704 -1.6246 -1.6177 -1.4531 -1.4431 -1.2027 -1.1810 -0.9939 -0.9876 -0.8018 -0.7954 -0.7148 -0.7083 -0.5518 -0.5462 -0.2061 -0.2010 -0.0744 -0.0705 0.3303 0.3376 4.4476 4.4488 4.9564 4.9577 5.4249 5.4301 5.8571 5.8578 6.1926 6.1949 6.5426 6.5430 k = 0.1413 0.2608 0.5687 ( 10562 PWs) bands (ev): -13.9757 -13.9757 -13.9607 -13.9607 -13.8532 -13.8532 -13.8268 -13.8268 -7.9306 -7.9300 -6.7720 -6.7709 -6.7653 -6.7652 -6.5564 -6.5562 -4.5807 -4.5796 -3.5339 -3.5291 -3.4757 -3.4564 -3.0025 -2.9965 -2.8823 -2.8581 -2.8111 -2.8086 -2.7554 -2.7534 -2.3589 -2.3533 -2.2032 -2.2028 -1.7819 -1.7677 -1.6358 -1.6281 -1.4563 -1.4457 -1.2066 -1.1836 -1.0099 -1.0031 -0.7988 -0.7922 -0.7199 -0.7130 -0.5477 -0.5417 -0.1959 -0.1900 -0.0783 -0.0742 0.3188 0.3268 4.4826 4.4840 4.9519 4.9532 5.4209 5.4267 5.8804 5.8812 6.1787 6.1812 6.5215 6.5218 k = 0.1522 0.2809 0.5687 ( 10562 PWs) bands (ev): -13.9727 -13.9727 -13.9563 -13.9563 -13.8577 -13.8577 -13.8299 -13.8299 -7.9272 -7.9265 -6.7805 -6.7793 -6.7620 -6.7619 -6.5603 -6.5601 -4.5761 -4.5748 -3.5382 -3.5332 -3.4830 -3.4632 -2.9963 -2.9897 -2.8741 -2.8498 -2.7856 -2.7835 -2.7443 -2.7425 -2.3675 -2.3619 -2.2083 -2.2078 -1.7799 -1.7651 -1.6489 -1.6403 -1.4599 -1.4487 -1.2095 -1.1852 -1.0254 -1.0182 -0.7958 -0.7890 -0.7243 -0.7170 -0.5437 -0.5373 -0.1853 -0.1785 -0.0822 -0.0780 0.3072 0.3160 4.5169 4.5186 4.9476 4.9489 5.4174 5.4239 5.9011 5.9020 6.1681 6.1706 6.5007 6.5008 k = 0.1630 0.3009 0.5687 ( 10562 PWs) bands (ev): -13.9698 -13.9698 -13.9517 -13.9517 -13.8625 -13.8625 -13.8330 -13.8330 -7.9239 -7.9232 -6.7885 -6.7872 -6.7588 -6.7586 -6.5642 -6.5639 -4.5717 -4.5704 -3.5423 -3.5371 -3.4899 -3.4696 -2.9918 -2.9847 -2.8669 -2.8425 -2.7585 -2.7567 -2.7310 -2.7294 -2.3772 -2.3715 -2.2142 -2.2135 -1.7780 -1.7628 -1.6634 -1.6539 -1.4637 -1.4520 -1.2114 -1.1860 -1.0401 -1.0325 -0.7929 -0.7860 -0.7280 -0.7203 -0.5399 -0.5332 -0.1744 -0.1667 -0.0860 -0.0817 0.2956 0.3052 4.5498 4.5519 4.9435 4.9448 5.4146 5.4217 5.9179 5.9190 6.1621 6.1646 6.4801 6.4802 k = 0.1739 0.3210 0.5687 ( 10552 PWs) bands (ev): -13.9669 -13.9669 -13.9469 -13.9469 -13.8674 -13.8674 -13.8360 -13.8360 -7.9208 -7.9201 -6.7959 -6.7947 -6.7556 -6.7555 -6.5679 -6.5676 -4.5677 -4.5664 -3.5461 -3.5407 -3.4962 -3.4755 -2.9887 -2.9813 -2.8605 -2.8361 -2.7307 -2.7288 -2.7159 -2.7147 -2.3879 -2.3824 -2.2208 -2.2199 -1.7763 -1.7609 -1.6789 -1.6683 -1.4677 -1.4555 -1.2126 -1.1861 -1.0538 -1.0456 -0.7901 -0.7831 -0.7310 -0.7229 -0.5363 -0.5295 -0.1636 -0.1549 -0.0895 -0.0852 0.2843 0.2947 4.5808 4.5832 4.9396 4.9410 5.4124 5.4202 5.9297 5.9311 6.1618 6.1643 6.4596 6.4600 k = 0.1848 0.3411 0.5687 ( 10552 PWs) bands (ev): -13.9642 -13.9642 -13.9420 -13.9420 -13.8724 -13.8724 -13.8389 -13.8389 -7.9180 -7.9172 -6.8027 -6.8014 -6.7527 -6.7525 -6.5714 -6.5711 -4.5642 -4.5628 -3.5496 -3.5439 -3.5018 -3.4809 -2.9868 -2.9791 -2.8549 -2.8304 -2.7052 -2.7020 -2.6976 -2.6970 -2.3999 -2.3945 -2.2278 -2.2267 -1.7747 -1.7593 -1.6945 -1.6828 -1.4717 -1.4591 -1.2131 -1.1856 -1.0661 -1.0574 -0.7874 -0.7804 -0.7335 -0.7251 -0.5332 -0.5261 -0.1533 -0.1435 -0.0927 -0.0885 0.2735 0.2848 4.6090 4.6119 4.9362 4.9376 5.4109 5.4193 5.9362 5.9379 6.1677 6.1702 6.4395 6.4402 k = 0.1957 0.3611 0.5687 ( 10572 PWs) bands (ev): -13.9617 -13.9617 -13.9370 -13.9370 -13.8776 -13.8776 -13.8415 -13.8415 -7.9155 -7.9147 -6.8087 -6.8073 -6.7500 -6.7498 -6.5745 -6.5742 -4.5611 -4.5597 -3.5526 -3.5467 -3.5067 -3.4855 -2.9859 -2.9778 -2.8501 -2.8256 -2.6876 -2.6848 -2.6706 -2.6702 -2.4132 -2.4081 -2.2350 -2.2337 -1.7732 -1.7584 -1.7095 -1.6965 -1.4756 -1.4626 -1.2131 -1.1848 -1.0768 -1.0676 -0.7849 -0.7777 -0.7356 -0.7269 -0.5304 -0.5231 -0.1438 -0.1327 -0.0954 -0.0915 0.2635 0.2756 4.6340 4.6372 4.9332 4.9346 5.4099 5.4190 5.9381 5.9401 6.1789 6.1815 6.4197 6.4208 k = 0.2065 0.3812 0.5687 ( 10564 PWs) bands (ev): -13.9595 -13.9595 -13.9320 -13.9320 -13.8827 -13.8827 -13.8438 -13.8438 -7.9133 -7.9126 -6.8137 -6.8123 -6.7477 -6.7475 -6.5773 -6.5769 -4.5586 -4.5571 -3.5551 -3.5491 -3.5108 -3.4895 -2.9854 -2.9772 -2.8461 -2.8216 -2.6729 -2.6704 -2.6424 -2.6421 -2.4278 -2.4229 -2.2419 -2.2405 -1.7720 -1.7582 -1.7232 -1.7083 -1.4791 -1.4658 -1.2129 -1.1837 -1.0857 -1.0760 -0.7827 -0.7754 -0.7372 -0.7283 -0.5281 -0.5206 -0.1355 -0.1231 -0.0975 -0.0940 0.2546 0.2675 4.6552 4.6587 4.9307 4.9321 5.4095 5.4191 5.9371 5.9393 6.1936 6.1965 6.4005 6.4020 k = 0.2174 0.4013 0.5687 ( 10564 PWs) bands (ev): -13.9577 -13.9577 -13.9271 -13.9271 -13.8877 -13.8877 -13.8457 -13.8457 -7.9116 -7.9108 -6.8177 -6.8163 -6.7457 -6.7456 -6.5795 -6.5791 -4.5565 -4.5550 -3.5571 -3.5510 -3.5141 -3.4926 -2.9854 -2.9770 -2.8429 -2.8185 -2.6603 -2.6579 -2.6155 -2.6151 -2.4434 -2.4387 -2.2482 -2.2465 -1.7710 -1.7588 -1.7348 -1.7177 -1.4822 -1.4685 -1.2126 -1.1827 -1.0928 -1.0826 -0.7808 -0.7733 -0.7386 -0.7293 -0.5262 -0.5186 -0.1289 -0.1150 -0.0989 -0.0961 0.2472 0.2607 4.6721 4.6760 4.9287 4.9301 5.4095 5.4195 5.9346 5.9369 6.2100 6.2132 6.3821 6.3842 k = 0.2283 0.4213 0.5687 ( 10544 PWs) bands (ev): -13.9563 -13.9563 -13.9226 -13.9225 -13.8923 -13.8923 -13.8471 -13.8471 -7.9104 -7.9096 -6.8206 -6.8192 -6.7443 -6.7441 -6.5811 -6.5808 -4.5551 -4.5535 -3.5586 -3.5524 -3.5164 -3.4948 -2.9854 -2.9769 -2.8407 -2.8162 -2.6507 -2.6482 -2.5912 -2.5908 -2.4591 -2.4545 -2.2531 -2.2514 -1.7702 -1.7601 -1.7437 -1.7240 -1.4845 -1.4706 -1.2123 -1.1819 -1.0979 -1.0873 -0.7794 -0.7716 -0.7396 -0.7301 -0.5249 -0.5171 -0.1243 -0.1088 -0.0995 -0.0977 0.2415 0.2557 4.6845 4.6886 4.9272 4.9286 5.4096 5.4200 5.9319 5.9344 6.2255 6.2294 6.3658 6.3686 k = 0.2391 0.4414 0.5687 ( 10540 PWs) bands (ev): -13.9555 -13.9554 -13.9189 -13.9189 -13.8960 -13.8960 -13.8480 -13.8480 -7.9096 -7.9088 -6.8224 -6.8210 -6.7434 -6.7432 -6.5821 -6.5818 -4.5542 -4.5526 -3.5595 -3.5532 -3.5179 -3.4962 -2.9855 -2.9770 -2.8393 -2.8148 -2.6445 -2.6420 -2.5725 -2.5722 -2.4725 -2.4679 -2.2564 -2.2545 -1.7697 -1.7614 -1.7493 -1.7274 -1.4859 -1.4720 -1.2121 -1.1813 -1.1010 -1.0902 -0.7784 -0.7706 -0.7403 -0.7306 -0.5241 -0.5163 -0.1217 -0.1048 -0.0996 -0.0988 0.2380 0.2525 4.6920 4.6962 4.9264 4.9278 5.4097 5.4204 5.9300 5.9325 6.2373 6.2419 6.3534 6.3570 k = 0.2500 0.4615 0.5687 ( 10564 PWs) bands (ev): -13.9552 -13.9552 -13.9174 -13.9173 -13.8975 -13.8975 -13.8483 -13.8483 -7.9094 -7.9085 -6.8230 -6.8216 -6.7431 -6.7430 -6.5825 -6.5821 -4.5539 -4.5523 -3.5598 -3.5535 -3.5184 -3.4966 -2.9856 -2.9770 -2.8389 -2.8144 -2.6425 -2.6399 -2.5649 -2.5647 -2.4783 -2.4736 -2.2575 -2.2556 -1.7696 -1.7620 -1.7512 -1.7285 -1.4864 -1.4724 -1.2121 -1.1812 -1.1020 -1.0911 -0.7781 -0.7702 -0.7405 -0.7307 -0.5238 -0.5160 -0.1209 -0.1034 -0.0995 -0.0992 0.2368 0.2514 4.6945 4.6988 4.9261 4.9275 5.4098 5.4205 5.9293 5.9319 6.2419 6.2469 6.3486 6.3525 Writing output data file Si5xH2Clx4.save init_run : 1.31s CPU 0.82s WALL ( 1 calls) electrons : 468.08s CPU 402.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.13s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 468.06s CPU 402.30s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.48s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.44s CPU 0.45s WALL ( 231 calls) cegterg : 401.35s CPU 364.79s WALL ( 546 calls) Called by sum_band: Called by *egterg: h_psi : 252.46s CPU 200.52s WALL ( 9325 calls) s_psi : 21.70s CPU 17.63s WALL ( 9325 calls) g_psi : 0.34s CPU 0.35s WALL ( 8548 calls) cdiaghg : 141.25s CPU 136.87s WALL ( 8779 calls) cegterg:over : 15.80s CPU 15.32s WALL ( 8548 calls) cegterg:upda : 11.58s CPU 11.28s WALL ( 8548 calls) cegterg:last : 6.16s CPU 6.17s WALL ( 1238 calls) cdiaghg:chol : 6.09s CPU 6.05s WALL ( 8779 calls) cdiaghg:inve : 3.76s CPU 3.95s WALL ( 8779 calls) cdiaghg:para : 7.93s CPU 7.61s WALL ( 17558 calls) Called by h_psi: h_psi:vloc : 203.66s CPU 160.19s WALL ( 9325 calls) h_psi:vnl : 48.31s CPU 39.94s WALL ( 9325 calls) add_vuspsi : 27.22s CPU 21.98s WALL ( 9325 calls) General routines calbec : 21.03s CPU 17.93s WALL ( 9325 calls) fft : 0.10s CPU 0.07s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 195.96s CPU 153.55s WALL ( 937380 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.30s CPU 0.89s WALL ( 462 calls) Parallel routines fft_scatter : 135.47s CPU 115.75s WALL ( 937403 calls) PWSCF : 8m26.36s CPU 7m45.94s WALL This run was terminated on: 23:28:34 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=