! Pwscf input file created with ciftopw.py ! Compound: Sr2CoWO6 &control calculation = 'bands' prefix = 'Sr2CoWO6' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 10.5589006553171707 celldm(2) = 1.0044993047017197 celldm(3) = 1.7336927055600506 celldm(4) = 0.5788151726729337 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 20 ntyp = 4 ecutwfc = 80.00000000 ecutrho = 374.00000000 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 W 183.8400 W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Co 58.9332 Co.rel-pbe-oncvpsp.UPF Sr 87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 236 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.02500000 1.0 0.00000000 0.00000000 0.05000000 1.0 0.00000000 0.00000000 0.07500000 1.0 0.00000000 0.00000000 0.10000000 1.0 0.00000000 0.00000000 0.12500000 1.0 0.00000000 0.00000000 0.15000000 1.0 0.00000000 0.00000000 0.17500000 1.0 0.00000000 0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.22500000 1.0 0.00000000 0.00000000 0.25000000 1.0 0.00000000 0.00000000 0.27500000 1.0 0.00000000 0.00000000 0.30000000 1.0 0.00000000 0.00000000 0.32500000 1.0 0.00000000 0.00000000 0.35000000 1.0 0.00000000 0.00000000 0.37500000 1.0 0.00000000 0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.42500000 1.0 0.00000000 0.00000000 0.45000000 1.0 0.00000000 0.00000000 0.47500000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.01784807 0.51783010 1.0 0.00000000 0.03569615 0.53566019 1.0 0.00000000 0.05354422 0.55349029 1.0 0.00000000 0.07139229 0.57132039 1.0 0.00000000 0.08924036 0.58915049 1.0 0.00000000 0.10708844 0.60698058 1.0 0.00000000 0.12493651 0.62481068 1.0 0.00000000 0.14278458 0.64264078 1.0 0.00000000 0.16063265 0.66047088 1.0 0.00000000 0.17848073 0.67830097 1.0 0.00000000 0.19632880 0.69613107 1.0 0.00000000 0.21417687 0.71396117 1.0 0.00000000 0.23202495 0.73179127 1.0 0.00000000 0.24987302 0.74962136 1.0 0.00000000 0.26772109 0.76745146 1.0 0.00000000 0.28556916 0.78528156 1.0 0.00000000 0.30341724 0.80311166 1.0 0.00000000 0.32126531 0.82094175 1.0 0.00000000 0.33911338 0.83877185 1.0 0.00000000 0.35696146 0.85660195 1.0 0.00000000 0.37480953 0.87443205 1.0 0.00000000 0.39265760 0.89226214 1.0 0.00000000 0.41050567 0.91009224 1.0 0.00000000 0.42835375 0.92792234 1.0 0.00000000 0.44620182 0.94575244 1.0 0.00000000 0.46404989 0.96358253 1.0 0.00000000 0.48189796 0.98141263 1.0 0.00000000 0.49974604 0.99924273 1.0 0.00000000 0.49974604 0.99924273 1.0 0.00000000 0.49975874 0.97428059 1.0 0.00000000 0.49977143 0.94931846 1.0 0.00000000 0.49978413 0.92435632 1.0 0.00000000 0.49979683 0.89939418 1.0 0.00000000 0.49980953 0.87443205 1.0 0.00000000 0.49982223 0.84946991 1.0 0.00000000 0.49983492 0.82450777 1.0 0.00000000 0.49984762 0.79954564 1.0 0.00000000 0.49986032 0.77458350 1.0 0.00000000 0.49987302 0.74962136 1.0 0.00000000 0.49988572 0.72465923 1.0 0.00000000 0.49989842 0.69969709 1.0 0.00000000 0.49991111 0.67473495 1.0 0.00000000 0.49992381 0.64977282 1.0 0.00000000 0.49993651 0.62481068 1.0 0.00000000 0.49994921 0.59984855 1.0 0.00000000 0.49996191 0.57488641 1.0 0.00000000 0.49997460 0.54992427 1.0 0.00000000 0.49998730 0.52496214 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01724138 0.50000000 0.50000000 1.0 0.03448276 0.50000000 0.50000000 1.0 0.05172414 0.50000000 0.50000000 1.0 0.06896552 0.50000000 0.50000000 1.0 0.08620690 0.50000000 0.50000000 1.0 0.10344828 0.50000000 0.50000000 1.0 0.12068966 0.50000000 0.50000000 1.0 0.13793103 0.50000000 0.50000000 1.0 0.15517241 0.50000000 0.50000000 1.0 0.17241379 0.50000000 0.50000000 1.0 0.18965517 0.50000000 0.50000000 1.0 0.20689655 0.50000000 0.50000000 1.0 0.22413793 0.50000000 0.50000000 1.0 0.24137931 0.50000000 0.50000000 1.0 0.25862069 0.50000000 0.50000000 1.0 0.27586207 0.50000000 0.50000000 1.0 0.29310345 0.50000000 0.50000000 1.0 0.31034483 0.50000000 0.50000000 1.0 0.32758621 0.50000000 0.50000000 1.0 0.34482759 0.50000000 0.50000000 1.0 0.36206897 0.50000000 0.50000000 1.0 0.37931034 0.50000000 0.50000000 1.0 0.39655172 0.50000000 0.50000000 1.0 0.41379310 0.50000000 0.50000000 1.0 0.43103448 0.50000000 0.50000000 1.0 0.44827586 0.50000000 0.50000000 1.0 0.46551724 0.50000000 0.50000000 1.0 0.48275862 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50001270 0.47503786 1.0 0.50000000 0.50002540 0.45007573 1.0 0.50000000 0.50003809 0.42511359 1.0 0.50000000 0.50005079 0.40015145 1.0 0.50000000 0.50006349 0.37518932 1.0 0.50000000 0.50007619 0.35022718 1.0 0.50000000 0.50008889 0.32526505 1.0 0.50000000 0.50010158 0.30030291 1.0 0.50000000 0.50011428 0.27534077 1.0 0.50000000 0.50012698 0.25037864 1.0 0.50000000 0.50013968 0.22541650 1.0 0.50000000 0.50015238 0.20045436 1.0 0.50000000 0.50016508 0.17549223 1.0 0.50000000 0.50017777 0.15053009 1.0 0.50000000 0.50019047 0.12556795 1.0 0.50000000 0.50020317 0.10060582 1.0 0.50000000 0.50021587 0.07564368 1.0 0.50000000 0.50022857 0.05068154 1.0 0.50000000 0.50024126 0.02571941 1.0 0.50000000 0.50025396 0.00075727 1.0 0.50000000 0.50025396 0.00075727 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48275862 0.50000000 0.00000000 1.0 0.46551724 0.50000000 0.00000000 1.0 0.44827586 0.50000000 0.00000000 1.0 0.43103448 0.50000000 0.00000000 1.0 0.41379310 0.50000000 0.00000000 1.0 0.39655172 0.50000000 0.00000000 1.0 0.37931034 0.50000000 0.00000000 1.0 0.36206897 0.50000000 0.00000000 1.0 0.34482759 0.50000000 0.00000000 1.0 0.32758621 0.50000000 0.00000000 1.0 0.31034483 0.50000000 0.00000000 1.0 0.29310345 0.50000000 0.00000000 1.0 0.27586207 0.50000000 0.00000000 1.0 0.25862069 0.50000000 0.00000000 1.0 0.24137931 0.50000000 0.00000000 1.0 0.22413793 0.50000000 0.00000000 1.0 0.20689655 0.50000000 0.00000000 1.0 0.18965517 0.50000000 0.00000000 1.0 0.17241379 0.50000000 0.00000000 1.0 0.15517241 0.50000000 0.00000000 1.0 0.13793103 0.50000000 0.00000000 1.0 0.12068966 0.50000000 0.00000000 1.0 0.10344828 0.50000000 0.00000000 1.0 0.08620690 0.50000000 0.00000000 1.0 0.06896552 0.50000000 0.00000000 1.0 0.05172414 0.50000000 0.00000000 1.0 0.03448276 0.50000000 0.00000000 1.0 0.01724138 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50025396 0.00075727 1.0 0.50000000 0.49974604 0.99924273 1.0 0.50000000 0.48189796 0.98141263 1.0 0.50000000 0.46404989 0.96358253 1.0 0.50000000 0.44620182 0.94575244 1.0 0.50000000 0.42835375 0.92792234 1.0 0.50000000 0.41050567 0.91009224 1.0 0.50000000 0.39265760 0.89226214 1.0 0.50000000 0.37480953 0.87443205 1.0 0.50000000 0.35696146 0.85660195 1.0 0.50000000 0.33911338 0.83877185 1.0 0.50000000 0.32126531 0.82094175 1.0 0.50000000 0.30341724 0.80311166 1.0 0.50000000 0.28556916 0.78528156 1.0 0.50000000 0.26772109 0.76745146 1.0 0.50000000 0.24987302 0.74962136 1.0 0.50000000 0.23202495 0.73179127 1.0 0.50000000 0.21417687 0.71396117 1.0 0.50000000 0.19632880 0.69613107 1.0 0.50000000 0.17848073 0.67830097 1.0 0.50000000 0.16063265 0.66047088 1.0 0.50000000 0.14278458 0.64264078 1.0 0.50000000 0.12493651 0.62481068 1.0 0.50000000 0.10708844 0.60698058 1.0 0.50000000 0.08924036 0.58915049 1.0 0.50000000 0.07139229 0.57132039 1.0 0.50000000 0.05354422 0.55349029 1.0 0.50000000 0.03569615 0.53566019 1.0 0.50000000 0.01784807 0.51783010 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.47500000 1.0 0.50000000 0.00000000 0.45000000 1.0 0.50000000 0.00000000 0.42500000 1.0 0.50000000 0.00000000 0.40000000 1.0 0.50000000 0.00000000 0.37500000 1.0 0.50000000 0.00000000 0.35000000 1.0 0.50000000 0.00000000 0.32500000 1.0 0.50000000 0.00000000 0.30000000 1.0 0.50000000 0.00000000 0.27500000 1.0 0.50000000 0.00000000 0.25000000 1.0 0.50000000 0.00000000 0.22500000 1.0 0.50000000 0.00000000 0.20000000 1.0 0.50000000 0.00000000 0.17500000 1.0 0.50000000 0.00000000 0.15000000 1.0 0.50000000 0.00000000 0.12500000 1.0 0.50000000 0.00000000 0.10000000 1.0 0.50000000 0.00000000 0.07500000 1.0 0.50000000 0.00000000 0.05000000 1.0 0.50000000 0.00000000 0.02500000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01724138 0.00000000 0.50000000 1.0 0.03448276 0.00000000 0.50000000 1.0 0.05172414 0.00000000 0.50000000 1.0 0.06896552 0.00000000 0.50000000 1.0 0.08620690 0.00000000 0.50000000 1.0 0.10344828 0.00000000 0.50000000 1.0 0.12068966 0.00000000 0.50000000 1.0 0.13793103 0.00000000 0.50000000 1.0 0.15517241 0.00000000 0.50000000 1.0 0.17241379 0.00000000 0.50000000 1.0 0.18965517 0.00000000 0.50000000 1.0 0.20689655 0.00000000 0.50000000 1.0 0.22413793 0.00000000 0.50000000 1.0 0.24137931 0.00000000 0.50000000 1.0 0.25862069 0.00000000 0.50000000 1.0 0.27586207 0.00000000 0.50000000 1.0 0.29310345 0.00000000 0.50000000 1.0 0.31034483 0.00000000 0.50000000 1.0 0.32758621 0.00000000 0.50000000 1.0 0.34482759 0.00000000 0.50000000 1.0 0.36206897 0.00000000 0.50000000 1.0 0.37931034 0.00000000 0.50000000 1.0 0.39655172 0.00000000 0.50000000 1.0 0.41379310 0.00000000 0.50000000 1.0 0.43103448 0.00000000 0.50000000 1.0 0.44827586 0.00000000 0.50000000 1.0 0.46551724 0.00000000 0.50000000 1.0 0.48275862 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0