! Pwscf input file created with ciftopw.py ! Compound: SbAs &control calculation = 'bands' prefix = 'SbAs' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 8.1171380395291681 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000000 celldm(4) = 0.5608615397233112 celldm(5) = 0.5608615397233112 celldm(6) = 0.5608615397233111 nat = 2 ntyp = 2 ecutwfc = 27.00000000 ecutrho = 242.00000000 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 Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 344 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 0.00000000 1.0 0.50000000 0.00636912 -0.00636912 1.0 0.50000000 0.01273824 -0.01273824 1.0 0.50000000 0.01910737 -0.01910737 1.0 0.50000000 0.02547649 -0.02547649 1.0 0.50000000 0.03184561 -0.03184561 1.0 0.50000000 0.03821473 -0.03821473 1.0 0.50000000 0.04458386 -0.04458386 1.0 0.50000000 0.05095298 -0.05095298 1.0 0.50000000 0.05732210 -0.05732210 1.0 0.50000000 0.06369122 -0.06369122 1.0 0.50000000 0.07006034 -0.07006034 1.0 0.50000000 0.07642947 -0.07642947 1.0 0.50000000 0.08279859 -0.08279859 1.0 0.50000000 0.08916771 -0.08916771 1.0 0.50000000 0.09553683 -0.09553683 1.0 0.50000000 0.10190595 -0.10190595 1.0 0.50000000 0.10827508 -0.10827508 1.0 0.50000000 0.11464420 -0.11464420 1.0 0.50000000 0.12101332 -0.12101332 1.0 0.50000000 0.12738244 -0.12738244 1.0 0.50000000 0.13375157 -0.13375157 1.0 0.50000000 0.14012069 -0.14012069 1.0 0.50000000 0.14648981 -0.14648981 1.0 0.50000000 0.15285893 -0.15285893 1.0 0.50000000 0.15922805 -0.15922805 1.0 0.50000000 0.16559718 -0.16559718 1.0 0.50000000 0.17196630 -0.17196630 1.0 0.50000000 0.17833542 -0.17833542 1.0 0.50000000 0.18470454 -0.18470454 1.0 0.50000000 0.19107367 -0.19107367 1.0 0.50000000 0.19744279 -0.19744279 1.0 0.50000000 0.20381191 -0.20381191 1.0 0.50000000 0.21018103 -0.21018103 1.0 0.50000000 0.21655015 -0.21655015 1.0 0.50000000 0.22291928 -0.22291928 1.0 0.50000000 0.22928840 -0.22928840 1.0 0.50000000 0.23565752 -0.23565752 1.0 0.76434248 0.50000000 0.23565752 1.0 0.75804861 0.50000000 0.24195139 1.0 0.75175474 0.50000000 0.24824526 1.0 0.74546087 0.50000000 0.25453913 1.0 0.73916701 0.50000000 0.26083299 1.0 0.73287314 0.50000000 0.26712686 1.0 0.72657927 0.50000000 0.27342073 1.0 0.72028540 0.50000000 0.27971460 1.0 0.71399153 0.50000000 0.28600847 1.0 0.70769766 0.50000000 0.29230234 1.0 0.70140379 0.50000000 0.29859621 1.0 0.69510993 0.50000000 0.30489007 1.0 0.68881606 0.50000000 0.31118394 1.0 0.68252219 0.50000000 0.31747781 1.0 0.67622832 0.50000000 0.32377168 1.0 0.66993445 0.50000000 0.33006555 1.0 0.66364058 0.50000000 0.33635942 1.0 0.65734671 0.50000000 0.34265329 1.0 0.65105285 0.50000000 0.34894715 1.0 0.64475898 0.50000000 0.35524102 1.0 0.63846511 0.50000000 0.36153489 1.0 0.63217124 0.50000000 0.36782876 1.0 0.62587737 0.50000000 0.37412263 1.0 0.61958350 0.50000000 0.38041650 1.0 0.61328963 0.50000000 0.38671037 1.0 0.60699577 0.50000000 0.39300423 1.0 0.60070190 0.50000000 0.39929810 1.0 0.59440803 0.50000000 0.40559197 1.0 0.58811416 0.50000000 0.41188584 1.0 0.58182029 0.50000000 0.41817971 1.0 0.57552642 0.50000000 0.42447358 1.0 0.56923255 0.50000000 0.43076745 1.0 0.56293869 0.50000000 0.43706131 1.0 0.55664482 0.50000000 0.44335518 1.0 0.55035095 0.50000000 0.44964905 1.0 0.54405708 0.50000000 0.45594292 1.0 0.53776321 0.50000000 0.46223679 1.0 0.53146934 0.50000000 0.46853066 1.0 0.52517547 0.50000000 0.47482453 1.0 0.51888161 0.50000000 0.48111839 1.0 0.51258774 0.50000000 0.48741226 1.0 0.50629387 0.50000000 0.49370613 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48863636 0.48863636 0.48863636 1.0 0.47727273 0.47727273 0.47727273 1.0 0.46590909 0.46590909 0.46590909 1.0 0.45454545 0.45454545 0.45454545 1.0 0.44318182 0.44318182 0.44318182 1.0 0.43181818 0.43181818 0.43181818 1.0 0.42045455 0.42045455 0.42045455 1.0 0.40909091 0.40909091 0.40909091 1.0 0.39772727 0.39772727 0.39772727 1.0 0.38636364 0.38636364 0.38636364 1.0 0.37500000 0.37500000 0.37500000 1.0 0.36363636 0.36363636 0.36363636 1.0 0.35227273 0.35227273 0.35227273 1.0 0.34090909 0.34090909 0.34090909 1.0 0.32954545 0.32954545 0.32954545 1.0 0.31818182 0.31818182 0.31818182 1.0 0.30681818 0.30681818 0.30681818 1.0 0.29545455 0.29545455 0.29545455 1.0 0.28409091 0.28409091 0.28409091 1.0 0.27272727 0.27272727 0.27272727 1.0 0.26136364 0.26136364 0.26136364 1.0 0.25000000 0.25000000 0.25000000 1.0 0.23863636 0.23863636 0.23863636 1.0 0.22727273 0.22727273 0.22727273 1.0 0.21590909 0.21590909 0.21590909 1.0 0.20454545 0.20454545 0.20454545 1.0 0.19318182 0.19318182 0.19318182 1.0 0.18181818 0.18181818 0.18181818 1.0 0.17045455 0.17045455 0.17045455 1.0 0.15909091 0.15909091 0.15909091 1.0 0.14772727 0.14772727 0.14772727 1.0 0.13636364 0.13636364 0.13636364 1.0 0.12500000 0.12500000 0.12500000 1.0 0.11363636 0.11363636 0.11363636 1.0 0.10227273 0.10227273 0.10227273 1.0 0.09090909 0.09090909 0.09090909 1.0 0.07954545 0.07954545 0.07954545 1.0 0.06818182 0.06818182 0.06818182 1.0 0.05681818 0.05681818 0.05681818 1.0 0.04545455 0.04545455 0.04545455 1.0 0.03409091 0.03409091 0.03409091 1.0 0.02272727 0.02272727 0.02272727 1.0 0.01136364 0.01136364 0.01136364 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00634188 0.00000000 -0.00634188 1.0 0.01268375 0.00000000 -0.01268375 1.0 0.01902563 0.00000000 -0.01902563 1.0 0.02536750 0.00000000 -0.02536750 1.0 0.03170938 -0.00000000 -0.03170938 1.0 0.03805125 0.00000000 -0.03805125 1.0 0.04439313 -0.00000000 -0.04439313 1.0 0.05073500 0.00000000 -0.05073500 1.0 0.05707688 -0.00000000 -0.05707688 1.0 0.06341875 -0.00000000 -0.06341875 1.0 0.06976063 0.00000000 -0.06976063 1.0 0.07610250 0.00000000 -0.07610250 1.0 0.08244438 -0.00000000 -0.08244438 1.0 0.08878625 -0.00000000 -0.08878625 1.0 0.09512813 0.00000000 -0.09512813 1.0 0.10147000 0.00000000 -0.10147000 1.0 0.10781188 0.00000000 -0.10781188 1.0 0.11415375 -0.00000000 -0.11415375 1.0 0.12049563 0.00000000 -0.12049563 1.0 0.12683750 -0.00000000 -0.12683750 1.0 0.13317938 -0.00000000 -0.13317938 1.0 0.13952125 0.00000000 -0.13952125 1.0 0.14586313 -0.00000000 -0.14586313 1.0 0.15220500 0.00000000 -0.15220500 1.0 0.15854688 0.00000000 -0.15854688 1.0 0.16488875 -0.00000000 -0.16488875 1.0 0.17123063 -0.00000000 -0.17123063 1.0 0.17757250 -0.00000000 -0.17757250 1.0 0.18391438 0.00000000 -0.18391438 1.0 0.19025626 0.00000000 -0.19025626 1.0 0.19659813 -0.00000000 -0.19659813 1.0 0.20294001 0.00000000 -0.20294001 1.0 0.20928188 0.00000000 -0.20928188 1.0 0.21562376 0.00000000 -0.21562376 1.0 0.22196563 -0.00000000 -0.22196563 1.0 0.22830751 -0.00000000 -0.22830751 1.0 0.23464938 -0.00000000 -0.23464938 1.0 0.24099126 0.00000000 -0.24099126 1.0 0.24733313 0.00000000 -0.24733313 1.0 0.25367501 -0.00000000 -0.25367501 1.0 0.26001688 0.00000000 -0.26001688 1.0 0.26635876 -0.00000000 -0.26635876 1.0 0.27270063 0.00000000 -0.27270063 1.0 0.27904251 0.00000000 -0.27904251 1.0 0.28538438 0.00000000 -0.28538438 1.0 0.29172626 -0.00000000 -0.29172626 1.0 0.29806813 0.00000000 -0.29806813 1.0 0.30441001 0.00000000 -0.30441001 1.0 0.31075188 0.00000000 -0.31075188 1.0 0.31709376 0.00000000 -0.31709376 1.0 0.32343563 0.00000000 -0.32343563 1.0 0.32977751 -0.00000000 -0.32977751 1.0 0.33611938 -0.00000000 -0.33611938 1.0 0.34246126 -0.00000000 -0.34246126 1.0 0.34880313 0.00000000 -0.34880313 1.0 0.35514501 -0.00000000 -0.35514501 1.0 0.36148689 -0.00000000 -0.36148689 1.0 0.36782876 0.00000000 -0.36782876 1.0 0.63217124 0.36782876 0.00000000 1.0 0.62587737 0.37412263 0.00000000 1.0 0.61958350 0.38041650 0.00000000 1.0 0.61328963 0.38671037 0.00000000 1.0 0.60699577 0.39300423 0.00000000 1.0 0.60070190 0.39929810 0.00000000 1.0 0.59440803 0.40559197 0.00000000 1.0 0.58811416 0.41188584 0.00000000 1.0 0.58182029 0.41817971 0.00000000 1.0 0.57552642 0.42447358 0.00000000 1.0 0.56923255 0.43076745 0.00000000 1.0 0.56293869 0.43706131 0.00000000 1.0 0.55664482 0.44335518 0.00000000 1.0 0.55035095 0.44964905 0.00000000 1.0 0.54405708 0.45594292 0.00000000 1.0 0.53776321 0.46223679 0.00000000 1.0 0.53146934 0.46853066 0.00000000 1.0 0.52517547 0.47482453 0.00000000 1.0 0.51888161 0.48111839 0.00000000 1.0 0.51258774 0.48741226 0.00000000 1.0 0.50629387 0.49370613 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50734285 0.50734285 0.01309208 1.0 0.51468569 0.51468569 0.02618417 1.0 0.52202854 0.52202854 0.03927625 1.0 0.52937139 0.52937139 0.05236834 1.0 0.53671423 0.53671423 0.06546042 1.0 0.54405708 0.54405708 0.07855251 1.0 0.55139993 0.55139993 0.09164459 1.0 0.55874277 0.55874277 0.10473668 1.0 0.56608562 0.56608562 0.11782876 1.0 0.57342847 0.57342847 0.13092084 1.0 0.58077131 0.58077131 0.14401293 1.0 0.58811416 0.58811416 0.15710501 1.0 0.59545701 0.59545701 0.17019710 1.0 0.60279985 0.60279985 0.18328918 1.0 0.61014270 0.61014270 0.19638127 1.0 0.61748555 0.61748555 0.20947335 1.0 0.62482839 0.62482839 0.22256544 1.0 0.63217124 0.63217124 0.23565752 1.0 0.63217124 0.63217124 0.23565752 1.0 0.62849982 0.62849982 0.24300037 1.0 0.62482839 0.62482839 0.25034321 1.0 0.62115697 0.62115697 0.25768606 1.0 0.61748555 0.61748555 0.26502891 1.0 0.61381412 0.61381412 0.27237175 1.0 0.61014270 0.61014270 0.27971460 1.0 0.60647128 0.60647128 0.28705745 1.0 0.60279985 0.60279985 0.29440029 1.0 0.59912843 0.59912843 0.30174314 1.0 0.59545701 0.59545701 0.30908599 1.0 0.59178558 0.59178558 0.31642883 1.0 0.58811416 0.58811416 0.32377168 1.0 0.58444274 0.58444274 0.33111453 1.0 0.58077131 0.58077131 0.33845737 1.0 0.57709989 0.57709989 0.34580022 1.0 0.57342847 0.57342847 0.35314307 1.0 0.56975704 0.56975704 0.36048591 1.0 0.56608562 0.56608562 0.36782876 1.0 0.56241420 0.56241420 0.37517161 1.0 0.55874277 0.55874277 0.38251445 1.0 0.55507135 0.55507135 0.38985730 1.0 0.55139993 0.55139993 0.39720015 1.0 0.54772850 0.54772850 0.40454299 1.0 0.54405708 0.54405708 0.41188584 1.0 0.54038566 0.54038566 0.41922869 1.0 0.53671423 0.53671423 0.42657153 1.0 0.53304281 0.53304281 0.43391438 1.0 0.52937139 0.52937139 0.44125723 1.0 0.52569996 0.52569996 0.44860007 1.0 0.52202854 0.52202854 0.45594292 1.0 0.51835712 0.51835712 0.46328577 1.0 0.51468569 0.51468569 0.47062861 1.0 0.51101427 0.51101427 0.47797146 1.0 0.50734285 0.50734285 0.48531431 1.0 0.50367142 0.50367142 0.49265715 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50852718 0.01186544 0.01186544 1.0 0.51705435 0.02373089 0.02373089 1.0 0.52558153 0.03559633 0.03559633 1.0 0.53410871 0.04746178 0.04746178 1.0 0.54263588 0.05932722 0.05932722 1.0 0.55116306 0.07119266 0.07119266 1.0 0.55969024 0.08305811 0.08305811 1.0 0.56821741 0.09492355 0.09492355 1.0 0.57674459 0.10678899 0.10678899 1.0 0.58527177 0.11865444 0.11865444 1.0 0.59379894 0.13051988 0.13051988 1.0 0.60232612 0.14238533 0.14238533 1.0 0.61085330 0.15425077 0.15425077 1.0 0.61938047 0.16611621 0.16611621 1.0 0.62790765 0.17798166 0.17798166 1.0 0.63643483 0.18984710 0.18984710 1.0 0.64496200 0.20171255 0.20171255 1.0 0.65348918 0.21357799 0.21357799 1.0 0.66201636 0.22544343 0.22544343 1.0 0.67054354 0.23730888 0.23730888 1.0 0.67907071 0.24917432 0.24917432 1.0 0.68759789 0.26103977 0.26103977 1.0 0.69612507 0.27290521 0.27290521 1.0 0.70465224 0.28477065 0.28477065 1.0 0.71317942 0.29663610 0.29663610 1.0 0.72170660 0.30850154 0.30850154 1.0 0.73023377 0.32036698 0.32036698 1.0 0.73876095 0.33223243 0.33223243 1.0 0.74728813 0.34409787 0.34409787 1.0 0.75581530 0.35596332 0.35596332 1.0 0.76434248 0.36782876 0.36782876 1.0