! Pwscf input file created with ciftopw.py ! Compound: InBO6 &control calculation = 'bands' prefix = 'InBO6' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.1199411681597136 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000000 celldm(4) = 0.2016812320338340 celldm(5) = 0.2016812320338340 celldm(6) = 0.2016812320338340 nat = 8 ntyp = 3 ecutwfc = 47.00000000 ecutrho = 325.00000000 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 O 15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF B 10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 342 0.00000000 0.00000000 0.00000000 1.0 0.01136364 -0.00000000 0.00000000 1.0 0.02272727 -0.00000000 0.00000000 1.0 0.03409091 0.00000000 0.00000000 1.0 0.04545455 -0.00000000 0.00000000 1.0 0.05681818 0.00000000 0.00000000 1.0 0.06818182 0.00000000 0.00000000 1.0 0.07954545 0.00000000 0.00000000 1.0 0.09090909 -0.00000000 0.00000000 1.0 0.10227273 0.00000000 0.00000000 1.0 0.11363636 0.00000000 0.00000000 1.0 0.12500000 0.00000000 0.00000000 1.0 0.13636364 0.00000000 0.00000000 1.0 0.14772727 0.00000000 0.00000000 1.0 0.15909091 0.00000000 0.00000000 1.0 0.17045455 -0.00000000 -0.00000000 1.0 0.18181818 -0.00000000 0.00000000 1.0 0.19318182 0.00000000 0.00000000 1.0 0.20454545 0.00000000 0.00000000 1.0 0.21590909 0.00000000 0.00000000 1.0 0.22727273 0.00000000 0.00000000 1.0 0.23863636 0.00000000 0.00000000 1.0 0.25000000 0.00000000 0.00000000 1.0 0.26136364 0.00000000 0.00000000 1.0 0.27272727 0.00000000 0.00000000 1.0 0.28409091 0.00000000 0.00000000 1.0 0.29545455 0.00000000 0.00000000 1.0 0.30681818 0.00000000 0.00000000 1.0 0.31818182 0.00000000 0.00000000 1.0 0.32954545 0.00000000 -0.00000000 1.0 0.34090909 -0.00000000 -0.00000000 1.0 0.35227273 -0.00000000 0.00000000 1.0 0.36363636 -0.00000000 0.00000000 1.0 0.37500000 0.00000000 -0.00000000 1.0 0.38636364 0.00000000 0.00000000 1.0 0.39772727 0.00000000 0.00000000 1.0 0.40909091 0.00000000 0.00000000 1.0 0.42045455 0.00000000 0.00000000 1.0 0.43181818 0.00000000 0.00000000 1.0 0.44318182 0.00000000 0.00000000 1.0 0.45454545 0.00000000 0.00000000 1.0 0.46590909 0.00000000 0.00000000 1.0 0.47727273 0.00000000 0.00000000 1.0 0.48863636 -0.00000000 -0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00742265 -0.00742265 1.0 0.50000000 0.01484530 -0.01484530 1.0 0.50000000 0.02226795 -0.02226795 1.0 0.50000000 0.02969060 -0.02969060 1.0 0.50000000 0.03711324 -0.03711324 1.0 0.50000000 0.04453589 -0.04453589 1.0 0.50000000 0.05195854 -0.05195854 1.0 0.50000000 0.05938119 -0.05938119 1.0 0.50000000 0.06680384 -0.06680384 1.0 0.50000000 0.07422649 -0.07422649 1.0 0.50000000 0.08164914 -0.08164914 1.0 0.50000000 0.08907179 -0.08907179 1.0 0.50000000 0.09649443 -0.09649443 1.0 0.50000000 0.10391708 -0.10391708 1.0 0.50000000 0.11133973 -0.11133973 1.0 0.50000000 0.11876238 -0.11876238 1.0 0.50000000 0.12618503 -0.12618503 1.0 0.50000000 0.13360768 -0.13360768 1.0 0.50000000 0.14103033 -0.14103033 1.0 0.50000000 0.14845298 -0.14845298 1.0 0.50000000 0.15587562 -0.15587562 1.0 0.50000000 0.16329827 -0.16329827 1.0 0.50000000 0.17072092 -0.17072092 1.0 0.50000000 0.17814357 -0.17814357 1.0 0.50000000 0.18556622 -0.18556622 1.0 0.50000000 0.19298887 -0.19298887 1.0 0.50000000 0.20041152 -0.20041152 1.0 0.50000000 0.20783417 -0.20783417 1.0 0.50000000 0.21525681 -0.21525681 1.0 0.50000000 0.22267946 -0.22267946 1.0 0.50000000 0.23010211 -0.23010211 1.0 0.50000000 0.23752476 -0.23752476 1.0 0.50000000 0.24494741 -0.24494741 1.0 0.50000000 0.25237006 -0.25237006 1.0 0.50000000 0.25979271 -0.25979271 1.0 0.50000000 0.26721536 -0.26721536 1.0 0.50000000 0.27463800 -0.27463800 1.0 0.50000000 0.28206065 -0.28206065 1.0 0.50000000 0.28948330 -0.28948330 1.0 0.50000000 0.29690595 -0.29690595 1.0 0.50000000 0.30432860 -0.30432860 1.0 0.50000000 0.31175125 -0.31175125 1.0 0.50000000 0.31917390 -0.31917390 1.0 0.50000000 0.32659655 -0.32659655 1.0 0.50000000 0.33401919 -0.33401919 1.0 0.50000000 0.34144184 -0.34144184 1.0 0.50000000 0.34886449 -0.34886449 1.0 0.50000000 0.35628714 -0.35628714 1.0 0.64371286 0.50000000 0.35628714 1.0 0.63614902 0.50000000 0.36385098 1.0 0.62858519 0.50000000 0.37141481 1.0 0.62102136 0.50000000 0.37897864 1.0 0.61345752 0.50000000 0.38654248 1.0 0.60589369 0.50000000 0.39410631 1.0 0.59832985 0.50000000 0.40167015 1.0 0.59076602 0.50000000 0.40923398 1.0 0.58320218 0.50000000 0.41679782 1.0 0.57563835 0.50000000 0.42436165 1.0 0.56807451 0.50000000 0.43192549 1.0 0.56051068 0.50000000 0.43948932 1.0 0.55294684 0.50000000 0.44705316 1.0 0.54538301 0.50000000 0.45461699 1.0 0.53781917 0.50000000 0.46218083 1.0 0.53025534 0.50000000 0.46974466 1.0 0.52269150 0.50000000 0.47730850 1.0 0.51512767 0.50000000 0.48487233 1.0 0.50756383 0.50000000 0.49243617 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.49180328 0.49180328 0.49180328 1.0 0.48360656 0.48360656 0.48360656 1.0 0.47540984 0.47540984 0.47540984 1.0 0.46721311 0.46721311 0.46721311 1.0 0.45901639 0.45901639 0.45901639 1.0 0.45081967 0.45081967 0.45081967 1.0 0.44262295 0.44262295 0.44262295 1.0 0.43442623 0.43442623 0.43442623 1.0 0.42622951 0.42622951 0.42622951 1.0 0.41803279 0.41803279 0.41803279 1.0 0.40983607 0.40983607 0.40983607 1.0 0.40163934 0.40163934 0.40163934 1.0 0.39344262 0.39344262 0.39344262 1.0 0.38524590 0.38524590 0.38524590 1.0 0.37704918 0.37704918 0.37704918 1.0 0.36885246 0.36885246 0.36885246 1.0 0.36065574 0.36065574 0.36065574 1.0 0.35245902 0.35245902 0.35245902 1.0 0.34426230 0.34426230 0.34426230 1.0 0.33606557 0.33606557 0.33606557 1.0 0.32786885 0.32786885 0.32786885 1.0 0.31967213 0.31967213 0.31967213 1.0 0.31147541 0.31147541 0.31147541 1.0 0.30327869 0.30327869 0.30327869 1.0 0.29508197 0.29508197 0.29508197 1.0 0.28688525 0.28688525 0.28688525 1.0 0.27868852 0.27868852 0.27868852 1.0 0.27049180 0.27049180 0.27049180 1.0 0.26229508 0.26229508 0.26229508 1.0 0.25409836 0.25409836 0.25409836 1.0 0.24590164 0.24590164 0.24590164 1.0 0.23770492 0.23770492 0.23770492 1.0 0.22950820 0.22950820 0.22950820 1.0 0.22131148 0.22131148 0.22131148 1.0 0.21311475 0.21311475 0.21311475 1.0 0.20491803 0.20491803 0.20491803 1.0 0.19672131 0.19672131 0.19672131 1.0 0.18852459 0.18852459 0.18852459 1.0 0.18032787 0.18032787 0.18032787 1.0 0.17213115 0.17213115 0.17213115 1.0 0.16393443 0.16393443 0.16393443 1.0 0.15573770 0.15573770 0.15573770 1.0 0.14754098 0.14754098 0.14754098 1.0 0.13934426 0.13934426 0.13934426 1.0 0.13114754 0.13114754 0.13114754 1.0 0.12295082 0.12295082 0.12295082 1.0 0.11475410 0.11475410 0.11475410 1.0 0.10655738 0.10655738 0.10655738 1.0 0.09836066 0.09836066 0.09836066 1.0 0.09016393 0.09016393 0.09016393 1.0 0.08196721 0.08196721 0.08196721 1.0 0.07377049 0.07377049 0.07377049 1.0 0.06557377 0.06557377 0.06557377 1.0 0.05737705 0.05737705 0.05737705 1.0 0.04918033 0.04918033 0.04918033 1.0 0.04098361 0.04098361 0.04098361 1.0 0.03278689 0.03278689 0.03278689 1.0 0.02459016 0.02459016 0.02459016 1.0 0.01639344 0.01639344 0.01639344 1.0 0.00819672 0.00819672 0.00819672 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00751129 0.00000000 -0.00751129 1.0 0.01502258 0.00000000 -0.01502258 1.0 0.02253387 0.00000000 -0.02253387 1.0 0.03004516 0.00000000 -0.03004516 1.0 0.03755645 0.00000000 -0.03755645 1.0 0.04506774 0.00000000 -0.04506774 1.0 0.05257903 0.00000000 -0.05257903 1.0 0.06009033 0.00000000 -0.06009033 1.0 0.06760162 0.00000000 -0.06760162 1.0 0.07511291 0.00000000 -0.07511291 1.0 0.08262420 0.00000000 -0.08262420 1.0 0.09013549 0.00000000 -0.09013549 1.0 0.09764678 -0.00000000 -0.09764678 1.0 0.10515807 0.00000000 -0.10515807 1.0 0.11266936 -0.00000000 -0.11266936 1.0 0.12018065 0.00000000 -0.12018065 1.0 0.12769194 0.00000000 -0.12769194 1.0 0.13520323 0.00000000 -0.13520323 1.0 0.14271452 0.00000000 -0.14271452 1.0 0.15022581 0.00000000 -0.15022581 1.0 0.15773710 0.00000000 -0.15773710 1.0 0.16524840 0.00000000 -0.16524840 1.0 0.17275969 0.00000000 -0.17275969 1.0 0.18027098 0.00000000 -0.18027098 1.0 0.18778227 0.00000000 -0.18778227 1.0 0.19529356 -0.00000000 -0.19529356 1.0 0.20280485 0.00000000 -0.20280485 1.0 0.21031614 0.00000000 -0.21031614 1.0 0.21782743 0.00000000 -0.21782743 1.0 0.22533872 -0.00000000 -0.22533872 1.0 0.23285001 0.00000000 -0.23285001 1.0 0.24036130 0.00000000 -0.24036130 1.0 0.24787259 0.00000000 -0.24787259 1.0 0.25538388 0.00000000 -0.25538388 1.0 0.26289517 0.00000000 -0.26289517 1.0 0.27040647 0.00000000 -0.27040647 1.0 0.27791776 0.00000000 -0.27791776 1.0 0.28542905 0.00000000 -0.28542905 1.0 0.29294034 0.00000000 -0.29294034 1.0 0.30045163 0.00000000 -0.30045163 1.0 0.30796292 0.00000000 -0.30796292 1.0 0.31547421 0.00000000 -0.31547421 1.0 0.32298550 0.00000000 -0.32298550 1.0 0.33049679 0.00000000 -0.33049679 1.0 0.33800808 0.00000000 -0.33800808 1.0 0.34551937 0.00000000 -0.34551937 1.0 0.35303066 0.00000000 -0.35303066 1.0 0.36054195 0.00000000 -0.36054195 1.0 0.36805324 0.00000000 -0.36805324 1.0 0.37556454 0.00000000 -0.37556454 1.0 0.38307583 0.00000000 -0.38307583 1.0 0.39058712 -0.00000000 -0.39058712 1.0 0.39809841 0.00000000 -0.39809841 1.0 0.40560970 0.00000000 -0.40560970 1.0 0.41312099 0.00000000 -0.41312099 1.0 0.42063228 0.00000000 -0.42063228 1.0 0.42814357 0.00000000 -0.42814357 1.0 0.57185643 0.42814357 0.00000000 1.0 0.56467079 0.43532921 0.00000000 1.0 0.55748514 0.44251486 0.00000000 1.0 0.55029950 0.44970050 0.00000000 1.0 0.54311386 0.45688614 0.00000000 1.0 0.53592821 0.46407179 0.00000000 1.0 0.52874257 0.47125743 0.00000000 1.0 0.52155693 0.47844307 0.00000000 1.0 0.51437129 0.48562871 0.00000000 1.0 0.50718564 0.49281436 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50239521 0.50239521 0.01187624 1.0 0.50479043 0.50479043 0.02375248 1.0 0.50718564 0.50718564 0.03562871 1.0 0.50958086 0.50958086 0.04750495 1.0 0.51197607 0.51197607 0.05938119 1.0 0.51437129 0.51437129 0.07125743 1.0 0.51676650 0.51676650 0.08313367 1.0 0.51916171 0.51916171 0.09500990 1.0 0.52155693 0.52155693 0.10688614 1.0 0.52395214 0.52395214 0.11876238 1.0 0.52634736 0.52634736 0.13063862 1.0 0.52874257 0.52874257 0.14251486 1.0 0.53113779 0.53113779 0.15439109 1.0 0.53353300 0.53353300 0.16626733 1.0 0.53592821 0.53592821 0.17814357 1.0 0.53832343 0.53832343 0.19001981 1.0 0.54071864 0.54071864 0.20189605 1.0 0.54311386 0.54311386 0.21377228 1.0 0.54550907 0.54550907 0.22564852 1.0 0.54790429 0.54790429 0.23752476 1.0 0.55029950 0.55029950 0.24940100 1.0 0.55269471 0.55269471 0.26127724 1.0 0.55508993 0.55508993 0.27315347 1.0 0.55748514 0.55748514 0.28502971 1.0 0.55988036 0.55988036 0.29690595 1.0 0.56227557 0.56227557 0.30878219 1.0 0.56467079 0.56467079 0.32065843 1.0 0.56706600 0.56706600 0.33253466 1.0 0.56946122 0.56946122 0.34441090 1.0 0.57185643 0.57185643 0.35628714 1.0 0.57185643 0.57185643 0.35628714 1.0 0.56762958 0.56762958 0.36474084 1.0 0.56340273 0.56340273 0.37319454 1.0 0.55917588 0.55917588 0.38164823 1.0 0.55494903 0.55494903 0.39010193 1.0 0.55072219 0.55072219 0.39855563 1.0 0.54649534 0.54649534 0.40700933 1.0 0.54226849 0.54226849 0.41546302 1.0 0.53804164 0.53804164 0.42391672 1.0 0.53381479 0.53381479 0.43237042 1.0 0.52958794 0.52958794 0.44082412 1.0 0.52536109 0.52536109 0.44927781 1.0 0.52113424 0.52113424 0.45773151 1.0 0.51690740 0.51690740 0.46618521 1.0 0.51268055 0.51268055 0.47463891 1.0 0.50845370 0.50845370 0.48309260 1.0 0.50422685 0.50422685 0.49154630 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50305772 0.00910944 0.00910944 1.0 0.50611544 0.01821888 0.01821888 1.0 0.50917316 0.02732831 0.02732831 1.0 0.51223088 0.03643775 0.03643775 1.0 0.51528860 0.04554719 0.04554719 1.0 0.51834632 0.05465663 0.05465663 1.0 0.52140404 0.06376606 0.06376606 1.0 0.52446176 0.07287550 0.07287550 1.0 0.52751948 0.08198494 0.08198494 1.0 0.53057720 0.09109438 0.09109438 1.0 0.53363492 0.10020381 0.10020381 1.0 0.53669264 0.10931325 0.10931325 1.0 0.53975037 0.11842269 0.11842269 1.0 0.54280809 0.12753213 0.12753213 1.0 0.54586581 0.13664157 0.13664157 1.0 0.54892353 0.14575100 0.14575100 1.0 0.55198125 0.15486044 0.15486044 1.0 0.55503897 0.16396988 0.16396988 1.0 0.55809669 0.17307932 0.17307932 1.0 0.56115441 0.18218875 0.18218875 1.0 0.56421213 0.19129819 0.19129819 1.0 0.56726985 0.20040763 0.20040763 1.0 0.57032757 0.20951707 0.20951707 1.0 0.57338529 0.21862650 0.21862650 1.0 0.57644301 0.22773594 0.22773594 1.0 0.57950073 0.23684538 0.23684538 1.0 0.58255845 0.24595482 0.24595482 1.0 0.58561617 0.25506425 0.25506425 1.0 0.58867389 0.26417369 0.26417369 1.0 0.59173161 0.27328313 0.27328313 1.0 0.59478933 0.28239257 0.28239257 1.0 0.59784705 0.29150201 0.29150201 1.0 0.60090477 0.30061144 0.30061144 1.0 0.60396249 0.30972088 0.30972088 1.0 0.60702021 0.31883032 0.31883032 1.0 0.61007793 0.32793976 0.32793976 1.0 0.61313566 0.33704919 0.33704919 1.0 0.61619338 0.34615863 0.34615863 1.0 0.61925110 0.35526807 0.35526807 1.0 0.62230882 0.36437751 0.36437751 1.0 0.62536654 0.37348694 0.37348694 1.0 0.62842426 0.38259638 0.38259638 1.0 0.63148198 0.39170582 0.39170582 1.0 0.63453970 0.40081526 0.40081526 1.0 0.63759742 0.40992470 0.40992470 1.0 0.64065514 0.41903413 0.41903413 1.0 0.64371286 0.42814357 0.42814357 1.0