! Pwscf input file created with ciftopw.py ! Compound: V4As3 &control calculation = 'bands' prefix = 'V4As3' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 13.3586874716199198 celldm(2) = 1.0000000000000000 celldm(3) = 1.3056375484288707 celldm(4) = 0.1772603399049295 celldm(5) = 0.1772603399049295 celldm(6) = 0.8848254256781370 nat = 14 ntyp = 2 ecutwfc = 48.00000000 ecutrho = 646.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES As 74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF V 50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 361 0.00000000 0.00000000 0.00000000 1.0 0.02083333 0.02083333 0.00000000 1.0 0.04166667 0.04166667 0.00000000 1.0 0.06250000 0.06250000 0.00000000 1.0 0.08333333 0.08333333 0.00000000 1.0 0.10416667 0.10416667 0.00000000 1.0 0.12500000 0.12500000 0.00000000 1.0 0.14583333 0.14583333 0.00000000 1.0 0.16666667 0.16666667 0.00000000 1.0 0.18750000 0.18750000 0.00000000 1.0 0.20833333 0.20833333 0.00000000 1.0 0.22916667 0.22916667 0.00000000 1.0 0.25000000 0.25000000 0.00000000 1.0 0.27083333 0.27083333 0.00000000 1.0 0.29166667 0.29166667 0.00000000 1.0 0.31250000 0.31250000 0.00000000 1.0 0.33333333 0.33333333 0.00000000 1.0 0.35416667 0.35416667 0.00000000 1.0 0.37500000 0.37500000 0.00000000 1.0 0.39583333 0.39583333 -0.00000000 1.0 0.41666667 0.41666667 0.00000000 1.0 0.43750000 0.43750000 0.00000000 1.0 0.45833333 0.45833333 0.00000000 1.0 0.47916667 0.47916667 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50378417 0.50378417 0.02787289 1.0 0.50756834 0.50756834 0.05574577 1.0 0.51135252 0.51135252 0.08361866 1.0 0.51513669 0.51513669 0.11149155 1.0 0.51892086 0.51892086 0.13936444 1.0 0.52270503 0.52270503 0.16723732 1.0 0.52648921 0.52648921 0.19511021 1.0 0.53027338 0.53027338 0.22298310 1.0 0.53405755 0.53405755 0.25085598 1.0 0.53784172 0.53784172 0.27872887 1.0 0.54162590 0.54162590 0.30660176 1.0 0.54541007 0.54541007 0.33447464 1.0 0.54919424 0.54919424 0.36234753 1.0 0.55297841 0.55297841 0.39022042 1.0 0.55297841 0.55297841 0.39022042 1.0 0.54238273 0.54238273 0.41217633 1.0 0.53178705 0.53178705 0.43413225 1.0 0.52119136 0.52119136 0.45608817 1.0 0.51059568 0.51059568 0.47804408 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50529973 0.49470027 0.50000000 1.0 0.51059945 0.48940055 0.50000000 1.0 0.51589918 0.48410082 0.50000000 1.0 0.52119890 0.47880110 0.50000000 1.0 0.52649863 0.47350137 0.50000000 1.0 0.53179835 0.46820165 0.50000000 1.0 0.53709808 0.46290192 0.50000000 1.0 0.54239781 0.45760219 0.50000000 1.0 0.54769753 0.45230247 0.50000000 1.0 0.55299726 0.44700274 0.50000000 1.0 0.55829698 0.44170302 0.50000000 1.0 0.56359671 0.43640329 0.50000000 1.0 0.56889644 0.43110356 0.50000000 1.0 0.57419616 0.42580384 0.50000000 1.0 0.57949589 0.42050411 0.50000000 1.0 0.58479561 0.41520439 0.50000000 1.0 0.59009534 0.40990466 0.50000000 1.0 0.59539506 0.40460494 0.50000000 1.0 0.60069479 0.39930521 0.50000000 1.0 0.60599452 0.39400548 0.50000000 1.0 0.61129424 0.38870576 0.50000000 1.0 0.61659397 0.38340603 0.50000000 1.0 0.62189369 0.37810631 0.50000000 1.0 0.62719342 0.37280658 0.50000000 1.0 0.63249315 0.36750685 0.50000000 1.0 0.63779287 0.36220713 0.50000000 1.0 0.64309260 0.35690740 0.50000000 1.0 0.64839232 0.35160768 0.50000000 1.0 0.65369205 0.34630795 0.50000000 1.0 0.65899177 0.34100823 0.50000000 1.0 0.66429150 0.33570850 0.50000000 1.0 0.66959123 0.33040877 0.50000000 1.0 0.67489095 0.32510905 0.50000000 1.0 0.68019068 0.31980932 0.50000000 1.0 0.68549040 0.31450960 0.50000000 1.0 0.69079013 0.30920987 0.50000000 1.0 0.69608985 0.30391015 0.50000000 1.0 0.70138958 0.29861042 0.50000000 1.0 0.70668931 0.29331069 0.50000000 1.0 0.71198903 0.28801097 0.50000000 1.0 0.71728876 0.28271124 0.50000000 1.0 0.72258848 0.27741152 0.50000000 1.0 0.72788821 0.27211179 0.50000000 1.0 0.73318794 0.26681206 0.50000000 1.0 0.73848766 0.26151234 0.50000000 1.0 0.26151234 -0.26151234 0.50000000 1.0 0.25617535 -0.25617535 0.50000000 1.0 0.25083837 -0.25083837 0.50000000 1.0 0.24550138 -0.24550138 0.50000000 1.0 0.24016439 -0.24016439 0.50000000 1.0 0.23482741 -0.23482741 0.50000000 1.0 0.22949042 -0.22949042 0.50000000 1.0 0.22415343 -0.22415343 0.50000000 1.0 0.21881645 -0.21881645 0.50000000 1.0 0.21347946 -0.21347946 0.50000000 1.0 0.20814247 -0.20814247 0.50000000 1.0 0.20280549 -0.20280549 0.50000000 1.0 0.19746850 -0.19746850 0.50000000 1.0 0.19213151 -0.19213151 0.50000000 1.0 0.18679453 -0.18679453 0.50000000 1.0 0.18145754 -0.18145754 0.50000000 1.0 0.17612055 -0.17612055 0.50000000 1.0 0.17078357 -0.17078357 0.50000000 1.0 0.16544658 -0.16544658 0.50000000 1.0 0.16010960 -0.16010960 0.50000000 1.0 0.15477261 -0.15477261 0.50000000 1.0 0.14943562 -0.14943562 0.50000000 1.0 0.14409864 -0.14409864 0.50000000 1.0 0.13876165 -0.13876165 0.50000000 1.0 0.13342466 -0.13342466 0.50000000 1.0 0.12808768 -0.12808768 0.50000000 1.0 0.12275069 -0.12275069 0.50000000 1.0 0.11741370 -0.11741370 0.50000000 1.0 0.11207672 -0.11207672 0.50000000 1.0 0.10673973 -0.10673973 0.50000000 1.0 0.10140274 -0.10140274 0.50000000 1.0 0.09606576 -0.09606576 0.50000000 1.0 0.09072877 -0.09072877 0.50000000 1.0 0.08539178 -0.08539178 0.50000000 1.0 0.08005480 -0.08005480 0.50000000 1.0 0.07471781 -0.07471781 0.50000000 1.0 0.06938082 -0.06938082 0.50000000 1.0 0.06404384 -0.06404384 0.50000000 1.0 0.05870685 -0.05870685 0.50000000 1.0 0.05336987 -0.05336987 0.50000000 1.0 0.04803288 -0.04803288 0.50000000 1.0 0.04269589 -0.04269589 0.50000000 1.0 0.03735891 -0.03735891 0.50000000 1.0 0.03202192 -0.03202192 0.50000000 1.0 0.02668493 -0.02668493 0.50000000 1.0 0.02134795 -0.02134795 0.50000000 1.0 0.01601096 -0.01601096 0.50000000 1.0 0.01067397 -0.01067397 0.50000000 1.0 0.00533699 -0.00533699 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.02128674 0.02128674 0.50522760 1.0 0.04257348 0.04257348 0.51045520 1.0 0.06386023 0.06386023 0.51568280 1.0 0.08514697 0.08514697 0.52091040 1.0 0.10643371 0.10643371 0.52613800 1.0 0.12772045 0.12772045 0.53136559 1.0 0.14900720 0.14900720 0.53659319 1.0 0.17029394 0.17029394 0.54182079 1.0 0.19158068 0.19158068 0.54704839 1.0 0.21286742 0.21286742 0.55227599 1.0 0.23415417 0.23415417 0.55750359 1.0 0.25544091 0.25544091 0.56273119 1.0 0.27672765 0.27672765 0.56795879 1.0 0.29801439 0.29801439 0.57318639 1.0 0.31930113 0.31930113 0.57841399 1.0 0.34058788 0.34058788 0.58364159 1.0 0.36187462 0.36187462 0.58886918 1.0 0.38316136 0.38316136 0.59409678 1.0 0.40444810 0.40444810 0.59932438 1.0 0.42573485 0.42573485 0.60455198 1.0 0.44702159 0.44702159 0.60977958 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50532265 0.49467735 0.00000000 1.0 0.51064530 0.48935470 0.00000000 1.0 0.51596795 0.48403205 0.00000000 1.0 0.52129059 0.47870941 0.00000000 1.0 0.52661324 0.47338676 0.00000000 1.0 0.53193589 0.46806411 0.00000000 1.0 0.53725854 0.46274146 0.00000000 1.0 0.54258119 0.45741881 0.00000000 1.0 0.54790384 0.45209616 0.00000000 1.0 0.55322649 0.44677351 0.00000000 1.0 0.55854913 0.44145087 0.00000000 1.0 0.56387178 0.43612822 0.00000000 1.0 0.56919443 0.43080557 0.00000000 1.0 0.57451708 0.42548292 0.00000000 1.0 0.57983973 0.42016027 0.00000000 1.0 0.58516238 0.41483762 0.00000000 1.0 0.59048502 0.40951498 0.00000000 1.0 0.59580767 0.40419233 0.00000000 1.0 0.60113032 0.39886968 0.00000000 1.0 0.60645297 0.39354703 0.00000000 1.0 0.61177562 0.38822438 0.00000000 1.0 0.61709827 0.38290173 0.00000000 1.0 0.62242092 0.37757908 0.00000000 1.0 0.62774356 0.37225644 0.00000000 1.0 0.63306621 0.36693379 0.00000000 1.0 0.63838886 0.36161114 0.00000000 1.0 0.64371151 0.35628849 0.00000000 1.0 0.64903416 0.35096584 0.00000000 1.0 0.65435681 0.34564319 0.00000000 1.0 0.65967946 0.34032054 0.00000000 1.0 0.66500210 0.33499790 0.00000000 1.0 0.67032475 0.32967525 0.00000000 1.0 0.67564740 0.32435260 0.00000000 1.0 0.68097005 0.31902995 0.00000000 1.0 0.68629270 0.31370730 0.00000000 1.0 0.69161535 0.30838465 0.00000000 1.0 0.69693800 0.30306200 0.00000000 1.0 0.70226064 0.29773936 0.00000000 1.0 0.70758329 0.29241671 0.00000000 1.0 0.71290594 0.28709406 0.00000000 1.0 0.71822859 0.28177141 0.00000000 1.0 0.72355124 0.27644876 0.00000000 1.0 0.72887389 0.27112611 0.00000000 1.0 0.73419654 0.26580346 0.00000000 1.0 0.26580346 -0.26580346 0.00000000 1.0 0.26048740 -0.26048740 0.00000000 1.0 0.25517133 -0.25517133 0.00000000 1.0 0.24985526 -0.24985526 0.00000000 1.0 0.24453919 -0.24453919 0.00000000 1.0 0.23922312 -0.23922312 0.00000000 1.0 0.23390705 -0.23390705 0.00000000 1.0 0.22859098 -0.22859098 0.00000000 1.0 0.22327491 -0.22327491 0.00000000 1.0 0.21795884 -0.21795884 0.00000000 1.0 0.21264277 -0.21264277 0.00000000 1.0 0.20732670 -0.20732670 0.00000000 1.0 0.20201063 -0.20201063 0.00000000 1.0 0.19669456 -0.19669456 0.00000000 1.0 0.19137849 -0.19137849 0.00000000 1.0 0.18606243 -0.18606243 0.00000000 1.0 0.18074636 -0.18074636 0.00000000 1.0 0.17543029 -0.17543029 0.00000000 1.0 0.17011422 -0.17011422 0.00000000 1.0 0.16479815 -0.16479815 0.00000000 1.0 0.15948208 -0.15948208 0.00000000 1.0 0.15416601 -0.15416601 0.00000000 1.0 0.14884994 -0.14884994 0.00000000 1.0 0.14353387 -0.14353387 0.00000000 1.0 0.13821780 -0.13821780 0.00000000 1.0 0.13290173 -0.13290173 0.00000000 1.0 0.12758566 -0.12758566 0.00000000 1.0 0.12226959 -0.12226959 0.00000000 1.0 0.11695352 -0.11695352 0.00000000 1.0 0.11163746 -0.11163746 0.00000000 1.0 0.10632139 -0.10632139 0.00000000 1.0 0.10100532 -0.10100532 0.00000000 1.0 0.09568925 -0.09568925 0.00000000 1.0 0.09037318 -0.09037318 0.00000000 1.0 0.08505711 -0.08505711 0.00000000 1.0 0.07974104 -0.07974104 0.00000000 1.0 0.07442497 -0.07442497 0.00000000 1.0 0.06910890 -0.06910890 0.00000000 1.0 0.06379283 -0.06379283 0.00000000 1.0 0.05847676 -0.05847676 0.00000000 1.0 0.05316069 -0.05316069 0.00000000 1.0 0.04784462 -0.04784462 0.00000000 1.0 0.04252855 -0.04252855 0.00000000 1.0 0.03721249 -0.03721249 0.00000000 1.0 0.03189642 -0.03189642 0.00000000 1.0 0.02658035 -0.02658035 0.00000000 1.0 0.02126428 -0.02126428 0.00000000 1.0 0.01594821 -0.01594821 0.00000000 1.0 0.01063214 -0.01063214 0.00000000 1.0 0.00531607 -0.00531607 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.01041667 0.00000000 0.00000000 1.0 0.02083333 0.00000000 0.00000000 1.0 0.03125000 0.00000000 0.00000000 1.0 0.04166667 0.00000000 0.00000000 1.0 0.05208333 0.00000000 0.00000000 1.0 0.06250000 0.00000000 0.00000000 1.0 0.07291667 -0.00000000 0.00000000 1.0 0.08333333 0.00000000 0.00000000 1.0 0.09375000 -0.00000000 0.00000000 1.0 0.10416667 0.00000000 0.00000000 1.0 0.11458333 -0.00000000 0.00000000 1.0 0.12500000 0.00000000 0.00000000 1.0 0.13541667 -0.00000000 0.00000000 1.0 0.14583333 -0.00000000 0.00000000 1.0 0.15625000 0.00000000 0.00000000 1.0 0.16666667 0.00000000 0.00000000 1.0 0.17708333 -0.00000000 0.00000000 1.0 0.18750000 -0.00000000 0.00000000 1.0 0.19791667 -0.00000000 -0.00000000 1.0 0.20833333 0.00000000 0.00000000 1.0 0.21875000 0.00000000 0.00000000 1.0 0.22916667 -0.00000000 0.00000000 1.0 0.23958333 -0.00000000 0.00000000 1.0 0.25000000 0.00000000 0.00000000 1.0 0.26041667 0.00000000 0.00000000 1.0 0.27083333 -0.00000000 0.00000000 1.0 0.28125000 0.00000000 0.00000000 1.0 0.29166667 -0.00000000 0.00000000 1.0 0.30208333 -0.00000000 0.00000000 1.0 0.31250000 0.00000000 0.00000000 1.0 0.32291667 -0.00000000 -0.00000000 1.0 0.33333333 0.00000000 0.00000000 1.0 0.34375000 -0.00000000 0.00000000 1.0 0.35416667 -0.00000000 0.00000000 1.0 0.36458333 0.00000000 0.00000000 1.0 0.37500000 -0.00000000 0.00000000 1.0 0.38541667 -0.00000000 0.00000000 1.0 0.39583333 -0.00000000 -0.00000000 1.0 0.40625000 -0.00000000 -0.00000000 1.0 0.41666667 0.00000000 0.00000000 1.0 0.42708333 -0.00000000 0.00000000 1.0 0.43750000 0.00000000 0.00000000 1.0 0.44791667 -0.00000000 0.00000000 1.0 0.45833333 -0.00000000 0.00000000 1.0 0.46875000 -0.00000000 0.00000000 1.0 0.47916667 -0.00000000 0.00000000 1.0 0.48958333 0.00000000 -0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.49019608 0.00000000 0.49019608 1.0 0.48039216 0.00000000 0.48039216 1.0 0.47058824 -0.00000000 0.47058824 1.0 0.46078431 -0.00000000 0.46078431 1.0 0.45098039 0.00000000 0.45098039 1.0 0.44117647 -0.00000000 0.44117647 1.0 0.43137255 -0.00000000 0.43137255 1.0 0.42156863 -0.00000000 0.42156863 1.0 0.41176471 -0.00000000 0.41176471 1.0 0.40196078 0.00000000 0.40196078 1.0 0.39215686 -0.00000000 0.39215686 1.0 0.38235294 -0.00000000 0.38235294 1.0 0.37254902 -0.00000000 0.37254902 1.0 0.36274510 -0.00000000 0.36274510 1.0 0.35294118 -0.00000000 0.35294118 1.0 0.34313725 0.00000000 0.34313725 1.0 0.33333333 0.00000000 0.33333333 1.0 0.32352941 0.00000000 0.32352941 1.0 0.31372549 0.00000000 0.31372549 1.0 0.30392157 -0.00000000 0.30392157 1.0 0.29411765 -0.00000000 0.29411765 1.0 0.28431373 -0.00000000 0.28431373 1.0 0.27450980 -0.00000000 0.27450980 1.0 0.26470588 0.00000000 0.26470588 1.0 0.25490196 -0.00000000 0.25490196 1.0 0.24509804 -0.00000000 0.24509804 1.0 0.23529412 -0.00000000 0.23529412 1.0 0.22549020 -0.00000000 0.22549020 1.0 0.21568627 -0.00000000 0.21568627 1.0 0.20588235 0.00000000 0.20588235 1.0 0.19607843 0.00000000 0.19607843 1.0 0.18627451 -0.00000000 0.18627451 1.0 0.17647059 -0.00000000 0.17647059 1.0 0.16666667 -0.00000000 0.16666667 1.0 0.15686275 -0.00000000 0.15686275 1.0 0.14705882 -0.00000000 0.14705882 1.0 0.13725490 -0.00000000 0.13725490 1.0 0.12745098 -0.00000000 0.12745098 1.0 0.11764706 0.00000000 0.11764706 1.0 0.10784314 -0.00000000 0.10784314 1.0 0.09803922 -0.00000000 0.09803922 1.0 0.08823529 0.00000000 0.08823529 1.0 0.07843137 0.00000000 0.07843137 1.0 0.06862745 -0.00000000 0.06862745 1.0 0.05882353 -0.00000000 0.05882353 1.0 0.04901961 -0.00000000 0.04901961 1.0 0.03921569 -0.00000000 0.03921569 1.0 0.02941176 0.00000000 0.02941176 1.0 0.01960784 0.00000000 0.01960784 1.0 0.00980392 0.00000000 0.00980392 1.0 0.00000000 0.00000000 0.00000000 1.0