! Pwscf input file created with ciftopw.py ! Compound: CoSb3 &control calculation = 'bands' prefix = 'CoSb3' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 14.7857447237205548 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000000 celldm(4) = -0.3333333333333331 celldm(5) = -0.3333333333333331 celldm(6) = -0.3333333333333331 nat = 16 ntyp = 2 ecutwfc = 80.00000000 ecutrho = 320.00000000 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 Co 58.9332 Co.rel-pbe-oncvpsp.UPF Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 171 0.00000000 0.00000000 0.00000000 1.0 0.01428571 -0.01428571 0.01428571 1.0 0.02857143 -0.02857143 0.02857143 1.0 0.04285714 -0.04285714 0.04285714 1.0 0.05714286 -0.05714286 0.05714286 1.0 0.07142857 -0.07142857 0.07142857 1.0 0.08571429 -0.08571429 0.08571429 1.0 0.10000000 -0.10000000 0.10000000 1.0 0.11428571 -0.11428571 0.11428571 1.0 0.12857143 -0.12857143 0.12857143 1.0 0.14285714 -0.14285714 0.14285714 1.0 0.15714286 -0.15714286 0.15714286 1.0 0.17142857 -0.17142857 0.17142857 1.0 0.18571429 -0.18571429 0.18571429 1.0 0.20000000 -0.20000000 0.20000000 1.0 0.21428571 -0.21428571 0.21428571 1.0 0.22857143 -0.22857143 0.22857143 1.0 0.24285714 -0.24285714 0.24285714 1.0 0.25714286 -0.25714286 0.25714286 1.0 0.27142857 -0.27142857 0.27142857 1.0 0.28571429 -0.28571429 0.28571429 1.0 0.30000000 -0.30000000 0.30000000 1.0 0.31428571 -0.31428571 0.31428571 1.0 0.32857143 -0.32857143 0.32857143 1.0 0.34285714 -0.34285714 0.34285714 1.0 0.35714286 -0.35714286 0.35714286 1.0 0.37142857 -0.37142857 0.37142857 1.0 0.38571429 -0.38571429 0.38571429 1.0 0.40000000 -0.40000000 0.40000000 1.0 0.41428571 -0.41428571 0.41428571 1.0 0.42857143 -0.42857143 0.42857143 1.0 0.44285714 -0.44285714 0.44285714 1.0 0.45714286 -0.45714286 0.45714286 1.0 0.47142857 -0.47142857 0.47142857 1.0 0.48571429 -0.48571429 0.48571429 1.0 0.50000000 -0.50000000 0.50000000 1.0 0.50000000 -0.50000000 0.50000000 1.0 0.48000000 -0.48000000 0.50000000 1.0 0.46000000 -0.46000000 0.50000000 1.0 0.44000000 -0.44000000 0.50000000 1.0 0.42000000 -0.42000000 0.50000000 1.0 0.40000000 -0.40000000 0.50000000 1.0 0.38000000 -0.38000000 0.50000000 1.0 0.36000000 -0.36000000 0.50000000 1.0 0.34000000 -0.34000000 0.50000000 1.0 0.32000000 -0.32000000 0.50000000 1.0 0.30000000 -0.30000000 0.50000000 1.0 0.28000000 -0.28000000 0.50000000 1.0 0.26000000 -0.26000000 0.50000000 1.0 0.24000000 -0.24000000 0.50000000 1.0 0.22000000 -0.22000000 0.50000000 1.0 0.20000000 -0.20000000 0.50000000 1.0 0.18000000 -0.18000000 0.50000000 1.0 0.16000000 -0.16000000 0.50000000 1.0 0.14000000 -0.14000000 0.50000000 1.0 0.12000000 -0.12000000 0.50000000 1.0 0.10000000 -0.10000000 0.50000000 1.0 0.08000000 -0.08000000 0.50000000 1.0 0.06000000 -0.06000000 0.50000000 1.0 0.04000000 -0.04000000 0.50000000 1.0 0.02000000 -0.02000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.48000000 1.0 0.00000000 0.00000000 0.46000000 1.0 0.00000000 0.00000000 0.44000000 1.0 0.00000000 0.00000000 0.42000000 1.0 0.00000000 0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.38000000 1.0 0.00000000 0.00000000 0.36000000 1.0 0.00000000 0.00000000 0.34000000 1.0 0.00000000 0.00000000 0.32000000 1.0 0.00000000 0.00000000 0.30000000 1.0 0.00000000 0.00000000 0.28000000 1.0 0.00000000 0.00000000 0.26000000 1.0 0.00000000 0.00000000 0.24000000 1.0 0.00000000 0.00000000 0.22000000 1.0 0.00000000 0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.18000000 1.0 0.00000000 0.00000000 0.16000000 1.0 0.00000000 0.00000000 0.14000000 1.0 0.00000000 0.00000000 0.12000000 1.0 0.00000000 0.00000000 0.10000000 1.0 0.00000000 0.00000000 0.08000000 1.0 0.00000000 0.00000000 0.06000000 1.0 0.00000000 0.00000000 0.04000000 1.0 0.00000000 0.00000000 0.02000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00806452 0.00806452 0.00806452 1.0 0.01612903 0.01612903 0.01612903 1.0 0.02419355 0.02419355 0.02419355 1.0 0.03225806 0.03225806 0.03225806 1.0 0.04032258 0.04032258 0.04032258 1.0 0.04838710 0.04838710 0.04838710 1.0 0.05645161 0.05645161 0.05645161 1.0 0.06451613 0.06451613 0.06451613 1.0 0.07258065 0.07258065 0.07258065 1.0 0.08064516 0.08064516 0.08064516 1.0 0.08870968 0.08870968 0.08870968 1.0 0.09677419 0.09677419 0.09677419 1.0 0.10483871 0.10483871 0.10483871 1.0 0.11290323 0.11290323 0.11290323 1.0 0.12096774 0.12096774 0.12096774 1.0 0.12903226 0.12903226 0.12903226 1.0 0.13709677 0.13709677 0.13709677 1.0 0.14516129 0.14516129 0.14516129 1.0 0.15322581 0.15322581 0.15322581 1.0 0.16129032 0.16129032 0.16129032 1.0 0.16935484 0.16935484 0.16935484 1.0 0.17741935 0.17741935 0.17741935 1.0 0.18548387 0.18548387 0.18548387 1.0 0.19354839 0.19354839 0.19354839 1.0 0.20161290 0.20161290 0.20161290 1.0 0.20967742 0.20967742 0.20967742 1.0 0.21774194 0.21774194 0.21774194 1.0 0.22580645 0.22580645 0.22580645 1.0 0.23387097 0.23387097 0.23387097 1.0 0.24193548 0.24193548 0.24193548 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25806452 0.22580645 0.25806452 1.0 0.26612903 0.20161290 0.26612903 1.0 0.27419355 0.17741935 0.27419355 1.0 0.28225806 0.15322581 0.28225806 1.0 0.29032258 0.12903226 0.29032258 1.0 0.29838710 0.10483871 0.29838710 1.0 0.30645161 0.08064516 0.30645161 1.0 0.31451613 0.05645161 0.31451613 1.0 0.32258065 0.03225806 0.32258065 1.0 0.33064516 0.00806452 0.33064516 1.0 0.33870968 -0.01612903 0.33870968 1.0 0.34677419 -0.04032258 0.34677419 1.0 0.35483871 -0.06451613 0.35483871 1.0 0.36290323 -0.08870968 0.36290323 1.0 0.37096774 -0.11290323 0.37096774 1.0 0.37903226 -0.13709677 0.37903226 1.0 0.38709677 -0.16129032 0.38709677 1.0 0.39516129 -0.18548387 0.39516129 1.0 0.40322581 -0.20967742 0.40322581 1.0 0.41129032 -0.23387097 0.41129032 1.0 0.41935484 -0.25806452 0.41935484 1.0 0.42741935 -0.28225806 0.42741935 1.0 0.43548387 -0.30645161 0.43548387 1.0 0.44354839 -0.33064516 0.44354839 1.0 0.45161290 -0.35483871 0.45161290 1.0 0.45967742 -0.37903226 0.45967742 1.0 0.46774194 -0.40322581 0.46774194 1.0 0.47580645 -0.42741935 0.47580645 1.0 0.48387097 -0.45161290 0.48387097 1.0 0.49193548 -0.47580645 0.49193548 1.0 0.50000000 -0.50000000 0.50000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.23611111 0.23611111 0.26388889 1.0 0.22222222 0.22222222 0.27777778 1.0 0.20833333 0.20833333 0.29166667 1.0 0.19444444 0.19444444 0.30555556 1.0 0.18055556 0.18055556 0.31944444 1.0 0.16666667 0.16666667 0.33333333 1.0 0.15277778 0.15277778 0.34722222 1.0 0.13888889 0.13888889 0.36111111 1.0 0.12500000 0.12500000 0.37500000 1.0 0.11111111 0.11111111 0.38888889 1.0 0.09722222 0.09722222 0.40277778 1.0 0.08333333 0.08333333 0.41666667 1.0 0.06944444 0.06944444 0.43055556 1.0 0.05555556 0.05555556 0.44444444 1.0 0.04166667 0.04166667 0.45833333 1.0 0.02777778 0.02777778 0.47222222 1.0 0.01388889 0.01388889 0.48611111 1.0 0.00000000 0.00000000 0.50000000 1.0