! Pwscf input file created with ciftopw.py ! Compound: SrN &control calculation = 'bands' prefix = 'SrN' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 13.2174361926645361 celldm(2) = 1.0000000000000000 celldm(3) = 0.9611735357496831 celldm(4) = 0.0790590543185329 celldm(5) = 0.0790590543185329 celldm(6) = 0.8516689786367760 nat = 8 ntyp = 2 ecutwfc = 44.00000000 ecutrho = 321.00000000 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 Sr 87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF N 14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 340 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 0.50172761 0.50172761 0.02100369 1.0 0.50345522 0.50345522 0.04200738 1.0 0.50518283 0.50518283 0.06301107 1.0 0.50691043 0.50691043 0.08401476 1.0 0.50863804 0.50863804 0.10501844 1.0 0.51036565 0.51036565 0.12602213 1.0 0.51209326 0.51209326 0.14702582 1.0 0.51382087 0.51382087 0.16802951 1.0 0.51554848 0.51554848 0.18903320 1.0 0.51727609 0.51727609 0.21003689 1.0 0.51900370 0.51900370 0.23104058 1.0 0.52073130 0.52073130 0.25204427 1.0 0.52245891 0.52245891 0.27304796 1.0 0.52418652 0.52418652 0.29405164 1.0 0.52591413 0.52591413 0.31505533 1.0 0.52764174 0.52764174 0.33605902 1.0 0.52936935 0.52936935 0.35706271 1.0 0.53109696 0.53109696 0.37806640 1.0 0.53282457 0.53282457 0.39907009 1.0 0.53455217 0.53455217 0.42007378 1.0 0.53627978 0.53627978 0.44107747 1.0 0.53800739 0.53800739 0.46208116 1.0 0.53800739 0.53800739 0.46208116 1.0 0.52533826 0.52533826 0.47472077 1.0 0.51266913 0.51266913 0.48736039 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50597831 0.49402169 0.50000000 1.0 0.51195662 0.48804338 0.50000000 1.0 0.51793493 0.48206507 0.50000000 1.0 0.52391324 0.47608676 0.50000000 1.0 0.52989155 0.47010845 0.50000000 1.0 0.53586986 0.46413014 0.50000000 1.0 0.54184817 0.45815183 0.50000000 1.0 0.54782648 0.45217352 0.50000000 1.0 0.55380479 0.44619521 0.50000000 1.0 0.55978310 0.44021690 0.50000000 1.0 0.56576141 0.43423859 0.50000000 1.0 0.57173972 0.42826028 0.50000000 1.0 0.57771803 0.42228197 0.50000000 1.0 0.58369634 0.41630366 0.50000000 1.0 0.58967465 0.41032535 0.50000000 1.0 0.59565296 0.40434704 0.50000000 1.0 0.60163127 0.39836873 0.50000000 1.0 0.60760958 0.39239042 0.50000000 1.0 0.61358789 0.38641211 0.50000000 1.0 0.61956620 0.38043380 0.50000000 1.0 0.62554451 0.37445549 0.50000000 1.0 0.63152283 0.36847717 0.50000000 1.0 0.63750114 0.36249886 0.50000000 1.0 0.64347945 0.35652055 0.50000000 1.0 0.64945776 0.35054224 0.50000000 1.0 0.65543607 0.34456393 0.50000000 1.0 0.66141438 0.33858562 0.50000000 1.0 0.66739269 0.33260731 0.50000000 1.0 0.67337100 0.32662900 0.50000000 1.0 0.67934931 0.32065069 0.50000000 1.0 0.68532762 0.31467238 0.50000000 1.0 0.69130593 0.30869407 0.50000000 1.0 0.69728424 0.30271576 0.50000000 1.0 0.70326255 0.29673745 0.50000000 1.0 0.70924086 0.29075914 0.50000000 1.0 0.71521917 0.28478083 0.50000000 1.0 0.72119748 0.27880252 0.50000000 1.0 0.72717579 0.27282421 0.50000000 1.0 0.73315410 0.26684590 0.50000000 1.0 0.26684590 -0.26684590 0.50000000 1.0 0.26091599 -0.26091599 0.50000000 1.0 0.25498608 -0.25498608 0.50000000 1.0 0.24905617 -0.24905617 0.50000000 1.0 0.24312627 -0.24312627 0.50000000 1.0 0.23719636 -0.23719636 0.50000000 1.0 0.23126645 -0.23126645 0.50000000 1.0 0.22533654 -0.22533654 0.50000000 1.0 0.21940663 -0.21940663 0.50000000 1.0 0.21347672 -0.21347672 0.50000000 1.0 0.20754681 -0.20754681 0.50000000 1.0 0.20161690 -0.20161690 0.50000000 1.0 0.19568699 -0.19568699 0.50000000 1.0 0.18975708 -0.18975708 0.50000000 1.0 0.18382718 -0.18382718 0.50000000 1.0 0.17789727 -0.17789727 0.50000000 1.0 0.17196736 -0.17196736 0.50000000 1.0 0.16603745 -0.16603745 0.50000000 1.0 0.16010754 -0.16010754 0.50000000 1.0 0.15417763 -0.15417763 0.50000000 1.0 0.14824772 -0.14824772 0.50000000 1.0 0.14231781 -0.14231781 0.50000000 1.0 0.13638790 -0.13638790 0.50000000 1.0 0.13045800 -0.13045800 0.50000000 1.0 0.12452809 -0.12452809 0.50000000 1.0 0.11859818 -0.11859818 0.50000000 1.0 0.11266827 -0.11266827 0.50000000 1.0 0.10673836 -0.10673836 0.50000000 1.0 0.10080845 -0.10080845 0.50000000 1.0 0.09487854 -0.09487854 0.50000000 1.0 0.08894863 -0.08894863 0.50000000 1.0 0.08301872 -0.08301872 0.50000000 1.0 0.07708882 -0.07708882 0.50000000 1.0 0.07115891 -0.07115891 0.50000000 1.0 0.06522900 -0.06522900 0.50000000 1.0 0.05929909 -0.05929909 0.50000000 1.0 0.05336918 -0.05336918 0.50000000 1.0 0.04743927 -0.04743927 0.50000000 1.0 0.04150936 -0.04150936 0.50000000 1.0 0.03557945 -0.03557945 0.50000000 1.0 0.02964954 -0.02964954 0.50000000 1.0 0.02371964 -0.02371964 0.50000000 1.0 0.01778973 -0.01778973 0.50000000 1.0 0.01185982 -0.01185982 0.50000000 1.0 0.00592991 -0.00592991 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.02099966 0.02099966 0.50172358 1.0 0.04199933 0.04199933 0.50344717 1.0 0.06299899 0.06299899 0.50517075 1.0 0.08399866 0.08399866 0.50689434 1.0 0.10499832 0.10499832 0.50861792 1.0 0.12599798 0.12599798 0.51034150 1.0 0.14699765 0.14699765 0.51206509 1.0 0.16799731 0.16799731 0.51378867 1.0 0.18899698 0.18899698 0.51551225 1.0 0.20999664 0.20999664 0.51723584 1.0 0.23099630 0.23099630 0.51895942 1.0 0.25199597 0.25199597 0.52068301 1.0 0.27299563 0.27299563 0.52240659 1.0 0.29399530 0.29399530 0.52413017 1.0 0.31499496 0.31499496 0.52585376 1.0 0.33599462 0.33599462 0.52757734 1.0 0.35699429 0.35699429 0.52930093 1.0 0.37799395 0.37799395 0.53102451 1.0 0.39899362 0.39899362 0.53274809 1.0 0.41999328 0.41999328 0.53447168 1.0 0.44099294 0.44099294 0.53619526 1.0 0.46199261 0.46199261 0.53791884 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50604835 0.49395165 0.00000000 1.0 0.51209670 0.48790330 0.00000000 1.0 0.51814504 0.48185496 0.00000000 1.0 0.52419339 0.47580661 0.00000000 1.0 0.53024174 0.46975826 0.00000000 1.0 0.53629009 0.46370991 0.00000000 1.0 0.54233843 0.45766157 0.00000000 1.0 0.54838678 0.45161322 0.00000000 1.0 0.55443513 0.44556487 0.00000000 1.0 0.56048348 0.43951652 0.00000000 1.0 0.56653183 0.43346817 0.00000000 1.0 0.57258017 0.42741983 0.00000000 1.0 0.57862852 0.42137148 0.00000000 1.0 0.58467687 0.41532313 0.00000000 1.0 0.59072522 0.40927478 0.00000000 1.0 0.59677356 0.40322644 0.00000000 1.0 0.60282191 0.39717809 0.00000000 1.0 0.60887026 0.39112974 0.00000000 1.0 0.61491861 0.38508139 0.00000000 1.0 0.62096696 0.37903304 0.00000000 1.0 0.62701530 0.37298470 0.00000000 1.0 0.63306365 0.36693635 0.00000000 1.0 0.63911200 0.36088800 0.00000000 1.0 0.64516035 0.35483965 0.00000000 1.0 0.65120869 0.34879131 0.00000000 1.0 0.65725704 0.34274296 0.00000000 1.0 0.66330539 0.33669461 0.00000000 1.0 0.66935374 0.33064626 0.00000000 1.0 0.67540209 0.32459791 0.00000000 1.0 0.68145043 0.31854957 0.00000000 1.0 0.68749878 0.31250122 0.00000000 1.0 0.69354713 0.30645287 0.00000000 1.0 0.69959548 0.30040452 0.00000000 1.0 0.70564382 0.29435618 0.00000000 1.0 0.71169217 0.28830783 0.00000000 1.0 0.71774052 0.28225948 0.00000000 1.0 0.72378887 0.27621113 0.00000000 1.0 0.72983721 0.27016279 0.00000000 1.0 0.27016279 -0.27016279 -0.00000000 1.0 0.26415917 -0.26415917 -0.00000000 1.0 0.25815555 -0.25815555 -0.00000000 1.0 0.25215193 -0.25215193 -0.00000000 1.0 0.24614832 -0.24614832 -0.00000000 1.0 0.24014470 -0.24014470 -0.00000000 1.0 0.23414108 -0.23414108 -0.00000000 1.0 0.22813746 -0.22813746 -0.00000000 1.0 0.22213385 -0.22213385 -0.00000000 1.0 0.21613023 -0.21613023 -0.00000000 1.0 0.21012661 -0.21012661 -0.00000000 1.0 0.20412299 -0.20412299 -0.00000000 1.0 0.19811938 -0.19811938 -0.00000000 1.0 0.19211576 -0.19211576 -0.00000000 1.0 0.18611214 -0.18611214 -0.00000000 1.0 0.18010852 -0.18010852 -0.00000000 1.0 0.17410491 -0.17410491 -0.00000000 1.0 0.16810129 -0.16810129 -0.00000000 1.0 0.16209767 -0.16209767 -0.00000000 1.0 0.15609405 -0.15609405 -0.00000000 1.0 0.15009044 -0.15009044 -0.00000000 1.0 0.14408682 -0.14408682 -0.00000000 1.0 0.13808320 -0.13808320 -0.00000000 1.0 0.13207958 -0.13207958 -0.00000000 1.0 0.12607597 -0.12607597 -0.00000000 1.0 0.12007235 -0.12007235 -0.00000000 1.0 0.11406873 -0.11406873 -0.00000000 1.0 0.10806511 -0.10806511 -0.00000000 1.0 0.10206150 -0.10206150 -0.00000000 1.0 0.09605788 -0.09605788 -0.00000000 1.0 0.09005426 -0.09005426 -0.00000000 1.0 0.08405064 -0.08405064 -0.00000000 1.0 0.07804703 -0.07804703 -0.00000000 1.0 0.07204341 -0.07204341 -0.00000000 1.0 0.06603979 -0.06603979 -0.00000000 1.0 0.06003617 -0.06003617 -0.00000000 1.0 0.05403256 -0.05403256 -0.00000000 1.0 0.04802894 -0.04802894 -0.00000000 1.0 0.04202532 -0.04202532 -0.00000000 1.0 0.03602170 -0.03602170 -0.00000000 1.0 0.03001809 -0.03001809 -0.00000000 1.0 0.02401447 -0.02401447 -0.00000000 1.0 0.01801085 -0.01801085 -0.00000000 1.0 0.01200723 -0.01200723 -0.00000000 1.0 0.00600362 -0.00600362 -0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.01162791 0.00000000 -0.00000000 1.0 0.02325581 0.00000000 -0.00000000 1.0 0.03488372 0.00000000 0.00000000 1.0 0.04651163 0.00000000 -0.00000000 1.0 0.05813953 0.00000000 -0.00000000 1.0 0.06976744 0.00000000 0.00000000 1.0 0.08139535 0.00000000 0.00000000 1.0 0.09302326 0.00000000 -0.00000000 1.0 0.10465116 0.00000000 -0.00000000 1.0 0.11627907 0.00000000 -0.00000000 1.0 0.12790698 0.00000000 0.00000000 1.0 0.13953488 0.00000000 0.00000000 1.0 0.15116279 0.00000000 -0.00000000 1.0 0.16279070 0.00000000 0.00000000 1.0 0.17441860 0.00000000 -0.00000000 1.0 0.18604651 0.00000000 -0.00000000 1.0 0.19767442 0.00000000 -0.00000000 1.0 0.20930233 0.00000000 -0.00000000 1.0 0.22093023 0.00000000 0.00000000 1.0 0.23255814 0.00000000 -0.00000000 1.0 0.24418605 0.00000000 0.00000000 1.0 0.25581395 0.00000000 0.00000000 1.0 0.26744186 0.00000000 -0.00000000 1.0 0.27906977 0.00000000 0.00000000 1.0 0.29069767 0.00000000 -0.00000000 1.0 0.30232558 0.00000000 -0.00000000 1.0 0.31395349 0.00000000 -0.00000000 1.0 0.32558140 0.00000000 0.00000000 1.0 0.33720930 0.00000000 0.00000000 1.0 0.34883721 0.00000000 -0.00000000 1.0 0.36046512 0.00000000 -0.00000000 1.0 0.37209302 0.00000000 -0.00000000 1.0 0.38372093 0.00000000 0.00000000 1.0 0.39534884 0.00000000 -0.00000000 1.0 0.40697674 0.00000000 -0.00000000 1.0 0.41860465 0.00000000 -0.00000000 1.0 0.43023256 0.00000000 0.00000000 1.0 0.44186047 0.00000000 0.00000000 1.0 0.45348837 0.00000000 -0.00000000 1.0 0.46511628 0.00000000 -0.00000000 1.0 0.47674419 0.00000000 -0.00000000 1.0 0.48837209 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.48979592 0.00000000 0.48979592 1.0 0.47959184 0.00000000 0.47959184 1.0 0.46938776 0.00000000 0.46938776 1.0 0.45918367 0.00000000 0.45918367 1.0 0.44897959 0.00000000 0.44897959 1.0 0.43877551 0.00000000 0.43877551 1.0 0.42857143 0.00000000 0.42857143 1.0 0.41836735 0.00000000 0.41836735 1.0 0.40816327 0.00000000 0.40816327 1.0 0.39795918 0.00000000 0.39795918 1.0 0.38775510 0.00000000 0.38775510 1.0 0.37755102 0.00000000 0.37755102 1.0 0.36734694 0.00000000 0.36734694 1.0 0.35714286 0.00000000 0.35714286 1.0 0.34693878 0.00000000 0.34693878 1.0 0.33673469 0.00000000 0.33673469 1.0 0.32653061 -0.00000000 0.32653061 1.0 0.31632653 0.00000000 0.31632653 1.0 0.30612245 0.00000000 0.30612245 1.0 0.29591837 0.00000000 0.29591837 1.0 0.28571429 0.00000000 0.28571429 1.0 0.27551020 0.00000000 0.27551020 1.0 0.26530612 0.00000000 0.26530612 1.0 0.25510204 0.00000000 0.25510204 1.0 0.24489796 0.00000000 0.24489796 1.0 0.23469388 0.00000000 0.23469388 1.0 0.22448980 0.00000000 0.22448980 1.0 0.21428571 0.00000000 0.21428571 1.0 0.20408163 0.00000000 0.20408163 1.0 0.19387755 -0.00000000 0.19387755 1.0 0.18367347 0.00000000 0.18367347 1.0 0.17346939 0.00000000 0.17346939 1.0 0.16326531 -0.00000000 0.16326531 1.0 0.15306122 0.00000000 0.15306122 1.0 0.14285714 0.00000000 0.14285714 1.0 0.13265306 0.00000000 0.13265306 1.0 0.12244898 0.00000000 0.12244898 1.0 0.11224490 -0.00000000 0.11224490 1.0 0.10204082 0.00000000 0.10204082 1.0 0.09183673 -0.00000000 0.09183673 1.0 0.08163265 0.00000000 0.08163265 1.0 0.07142857 0.00000000 0.07142857 1.0 0.06122449 0.00000000 0.06122449 1.0 0.05102041 0.00000000 0.05102041 1.0 0.04081633 -0.00000000 0.04081633 1.0 0.03061224 -0.00000000 0.03061224 1.0 0.02040816 -0.00000000 0.02040816 1.0 0.01020408 0.00000000 0.01020408 1.0 0.00000000 0.00000000 0.00000000 1.0