! Pwscf input file created with ciftopw.py ! Compound: Hf2CuGe4 &control calculation = 'bands' prefix = 'Hf2CuGe4' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 31.3256806106001306 celldm(2) = 1.0000000000000000 celldm(3) = 0.2261589403539946 celldm(4) = 0.0000000000000001 celldm(5) = -0.0000000000000004 celldm(6) = -0.9743031318420390 nat = 14 ntyp = 3 ecutwfc = 48.00000000 ecutrho = 266.00000000 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 Ge 72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF Hf 178.4900 Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Cu 63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 380 0.00000000 0.00000000 0.00000000 1.0 0.00588963 0.00588963 0.00000000 1.0 0.01177925 0.01177925 0.00000000 1.0 0.01766888 0.01766888 0.00000000 1.0 0.02355850 0.02355850 0.00000000 1.0 0.02944813 0.02944813 0.00000000 1.0 0.03533776 0.03533776 0.00000000 1.0 0.04122738 0.04122738 0.00000000 1.0 0.04711701 0.04711701 0.00000000 1.0 0.05300663 0.05300663 0.00000000 1.0 0.05889626 0.05889626 0.00000000 1.0 0.06478589 0.06478589 0.00000000 1.0 0.07067551 0.07067551 0.00000000 1.0 0.07656514 0.07656514 0.00000000 1.0 0.08245476 0.08245476 0.00000000 1.0 0.08834439 0.08834439 0.00000000 1.0 0.09423402 0.09423402 0.00000000 1.0 0.10012364 0.10012364 0.00000000 1.0 0.10601327 0.10601327 0.00000000 1.0 0.11190289 0.11190289 0.00000000 1.0 0.11779252 0.11779252 0.00000000 1.0 0.12368215 0.12368215 0.00000000 1.0 0.12957177 0.12957177 0.00000000 1.0 0.13546140 0.13546140 0.00000000 1.0 0.14135102 0.14135102 0.00000000 1.0 0.14724065 0.14724065 0.00000000 1.0 0.15313027 0.15313027 0.00000000 1.0 0.15901990 0.15901990 0.00000000 1.0 0.16490953 0.16490953 0.00000000 1.0 0.17079915 0.17079915 0.00000000 1.0 0.17668878 0.17668878 0.00000000 1.0 0.18257840 0.18257840 0.00000000 1.0 0.18846803 0.18846803 0.00000000 1.0 0.19435766 0.19435766 0.00000000 1.0 0.20024728 0.20024728 0.00000000 1.0 0.20613691 0.20613691 0.00000000 1.0 0.21202653 0.21202653 0.00000000 1.0 0.21791616 0.21791616 0.00000000 1.0 0.22380579 0.22380579 0.00000000 1.0 0.22969541 0.22969541 0.00000000 1.0 0.23558504 0.23558504 0.00000000 1.0 0.24147466 0.24147466 0.00000000 1.0 0.24736429 0.24736429 0.00000000 1.0 0.25325392 0.25325392 0.00000000 1.0 0.25325392 0.25325392 0.00000000 1.0 0.20260313 0.30260313 0.00000000 1.0 0.15195235 0.35195235 0.00000000 1.0 0.10130157 0.40130157 0.00000000 1.0 0.05065078 0.45065078 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.01190476 1.0 -0.00000000 0.50000000 0.02380952 1.0 -0.00000000 0.50000000 0.03571429 1.0 -0.00000000 0.50000000 0.04761905 1.0 -0.00000000 0.50000000 0.05952381 1.0 0.00000000 0.50000000 0.07142857 1.0 0.00000000 0.50000000 0.08333333 1.0 0.00000000 0.50000000 0.09523810 1.0 0.00000000 0.50000000 0.10714286 1.0 -0.00000000 0.50000000 0.11904762 1.0 -0.00000000 0.50000000 0.13095238 1.0 -0.00000000 0.50000000 0.14285714 1.0 -0.00000000 0.50000000 0.15476190 1.0 -0.00000000 0.50000000 0.16666667 1.0 -0.00000000 0.50000000 0.17857143 1.0 0.00000000 0.50000000 0.19047619 1.0 0.00000000 0.50000000 0.20238095 1.0 0.00000000 0.50000000 0.21428571 1.0 0.00000000 0.50000000 0.22619048 1.0 -0.00000000 0.50000000 0.23809524 1.0 -0.00000000 0.50000000 0.25000000 1.0 -0.00000000 0.50000000 0.26190476 1.0 -0.00000000 0.50000000 0.27380952 1.0 -0.00000000 0.50000000 0.28571429 1.0 -0.00000000 0.50000000 0.29761905 1.0 -0.00000000 0.50000000 0.30952381 1.0 0.00000000 0.50000000 0.32142857 1.0 0.00000000 0.50000000 0.33333333 1.0 0.00000000 0.50000000 0.34523810 1.0 0.00000000 0.50000000 0.35714286 1.0 0.00000000 0.50000000 0.36904762 1.0 0.00000000 0.50000000 0.38095238 1.0 0.00000000 0.50000000 0.39285714 1.0 0.00000000 0.50000000 0.40476190 1.0 0.00000000 0.50000000 0.41666667 1.0 0.00000000 0.50000000 0.42857143 1.0 0.00000000 0.50000000 0.44047619 1.0 0.00000000 0.50000000 0.45238095 1.0 0.00000000 0.50000000 0.46428571 1.0 0.00000000 0.50000000 0.47619048 1.0 0.00000000 0.50000000 0.48809524 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.05065078 0.45065078 0.50000000 1.0 0.10130157 0.40130157 0.50000000 1.0 0.15195235 0.35195235 0.50000000 1.0 0.20260313 0.30260313 0.50000000 1.0 0.25325392 0.25325392 0.50000000 1.0 0.25325392 0.25325392 0.50000000 1.0 0.24736429 0.24736429 0.50000000 1.0 0.24147466 0.24147466 0.50000000 1.0 0.23558504 0.23558504 0.50000000 1.0 0.22969541 0.22969541 0.50000000 1.0 0.22380579 0.22380579 0.50000000 1.0 0.21791616 0.21791616 0.50000000 1.0 0.21202653 0.21202653 0.50000000 1.0 0.20613691 0.20613691 0.50000000 1.0 0.20024728 0.20024728 0.50000000 1.0 0.19435766 0.19435766 0.50000000 1.0 0.18846803 0.18846803 0.50000000 1.0 0.18257840 0.18257840 0.50000000 1.0 0.17668878 0.17668878 0.50000000 1.0 0.17079915 0.17079915 0.50000000 1.0 0.16490953 0.16490953 0.50000000 1.0 0.15901990 0.15901990 0.50000000 1.0 0.15313027 0.15313027 0.50000000 1.0 0.14724065 0.14724065 0.50000000 1.0 0.14135102 0.14135102 0.50000000 1.0 0.13546140 0.13546140 0.50000000 1.0 0.12957177 0.12957177 0.50000000 1.0 0.12368215 0.12368215 0.50000000 1.0 0.11779252 0.11779252 0.50000000 1.0 0.11190289 0.11190289 0.50000000 1.0 0.10601327 0.10601327 0.50000000 1.0 0.10012364 0.10012364 0.50000000 1.0 0.09423402 0.09423402 0.50000000 1.0 0.08834439 0.08834439 0.50000000 1.0 0.08245476 0.08245476 0.50000000 1.0 0.07656514 0.07656514 0.50000000 1.0 0.07067551 0.07067551 0.50000000 1.0 0.06478589 0.06478589 0.50000000 1.0 0.05889626 0.05889626 0.50000000 1.0 0.05300663 0.05300663 0.50000000 1.0 0.04711701 0.04711701 0.50000000 1.0 0.04122738 0.04122738 0.50000000 1.0 0.03533776 0.03533776 0.50000000 1.0 0.02944813 0.02944813 0.50000000 1.0 0.02355850 0.02355850 0.50000000 1.0 0.01766888 0.01766888 0.50000000 1.0 0.01177925 0.01177925 0.50000000 1.0 0.00588963 0.00588963 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 0.00000000 -0.00000000 0.48809524 1.0 0.00000000 -0.00000000 0.47619048 1.0 0.00000000 -0.00000000 0.46428571 1.0 0.00000000 0.00000000 0.45238095 1.0 0.00000000 -0.00000000 0.44047619 1.0 0.00000000 -0.00000000 0.42857143 1.0 0.00000000 0.00000000 0.41666667 1.0 0.00000000 -0.00000000 0.40476190 1.0 0.00000000 -0.00000000 0.39285714 1.0 0.00000000 0.00000000 0.38095238 1.0 0.00000000 -0.00000000 0.36904762 1.0 0.00000000 -0.00000000 0.35714286 1.0 0.00000000 -0.00000000 0.34523810 1.0 0.00000000 -0.00000000 0.33333333 1.0 0.00000000 -0.00000000 0.32142857 1.0 0.00000000 -0.00000000 0.30952381 1.0 0.00000000 0.00000000 0.29761905 1.0 0.00000000 -0.00000000 0.28571429 1.0 0.00000000 -0.00000000 0.27380952 1.0 0.00000000 -0.00000000 0.26190476 1.0 0.00000000 -0.00000000 0.25000000 1.0 0.00000000 -0.00000000 0.23809524 1.0 0.00000000 -0.00000000 0.22619048 1.0 0.00000000 -0.00000000 0.21428571 1.0 0.00000000 -0.00000000 0.20238095 1.0 0.00000000 -0.00000000 0.19047619 1.0 0.00000000 0.00000000 0.17857143 1.0 0.00000000 -0.00000000 0.16666667 1.0 0.00000000 -0.00000000 0.15476190 1.0 0.00000000 -0.00000000 0.14285714 1.0 0.00000000 -0.00000000 0.13095238 1.0 0.00000000 -0.00000000 0.11904762 1.0 0.00000000 0.00000000 0.10714286 1.0 -0.00000000 0.00000000 0.09523810 1.0 0.00000000 -0.00000000 0.08333333 1.0 0.00000000 0.00000000 0.07142857 1.0 0.00000000 -0.00000000 0.05952381 1.0 -0.00000000 0.00000000 0.04761905 1.0 0.00000000 -0.00000000 0.03571429 1.0 0.00000000 -0.00000000 0.02380952 1.0 0.00000000 -0.00000000 0.01190476 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.05000000 0.05000000 0.00000000 1.0 -0.10000000 0.10000000 0.00000000 1.0 -0.15000000 0.15000000 0.00000000 1.0 -0.20000000 0.20000000 0.00000000 1.0 -0.25000000 0.25000000 0.00000000 1.0 -0.30000000 0.30000000 0.00000000 1.0 -0.35000000 0.35000000 0.00000000 1.0 -0.40000000 0.40000000 0.00000000 1.0 -0.45000000 0.45000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.49412509 0.50587491 0.00000000 1.0 -0.48825019 0.51174981 0.00000000 1.0 -0.48237528 0.51762472 0.00000000 1.0 -0.47650037 0.52349963 0.00000000 1.0 -0.47062547 0.52937453 0.00000000 1.0 -0.46475056 0.53524944 0.00000000 1.0 -0.45887565 0.54112435 0.00000000 1.0 -0.45300075 0.54699925 0.00000000 1.0 -0.44712584 0.55287416 0.00000000 1.0 -0.44125093 0.55874907 0.00000000 1.0 -0.43537603 0.56462397 0.00000000 1.0 -0.42950112 0.57049888 0.00000000 1.0 -0.42362621 0.57637379 0.00000000 1.0 -0.41775131 0.58224869 0.00000000 1.0 -0.41187640 0.58812360 0.00000000 1.0 -0.40600149 0.59399851 0.00000000 1.0 -0.40012659 0.59987341 0.00000000 1.0 -0.39425168 0.60574832 0.00000000 1.0 -0.38837677 0.61162323 0.00000000 1.0 -0.38250186 0.61749814 0.00000000 1.0 -0.37662696 0.62337304 0.00000000 1.0 -0.37075205 0.62924795 0.00000000 1.0 -0.36487714 0.63512286 0.00000000 1.0 -0.35900224 0.64099776 0.00000000 1.0 -0.35312733 0.64687267 0.00000000 1.0 -0.34725242 0.65274758 0.00000000 1.0 -0.34137752 0.65862248 0.00000000 1.0 -0.33550261 0.66449739 0.00000000 1.0 -0.32962770 0.67037230 0.00000000 1.0 -0.32375280 0.67624720 0.00000000 1.0 -0.31787789 0.68212211 0.00000000 1.0 -0.31200298 0.68799702 0.00000000 1.0 -0.30612808 0.69387192 0.00000000 1.0 -0.30025317 0.69974683 0.00000000 1.0 -0.29437826 0.70562174 0.00000000 1.0 -0.28850336 0.71149664 0.00000000 1.0 -0.28262845 0.71737155 0.00000000 1.0 -0.27675354 0.72324646 0.00000000 1.0 -0.27087864 0.72912136 0.00000000 1.0 -0.26500373 0.73499627 0.00000000 1.0 -0.25912882 0.74087118 0.00000000 1.0 -0.25325392 0.74674608 0.00000000 1.0 -0.25325392 0.74674608 0.00000000 1.0 -0.25325392 0.74674608 0.01190476 1.0 -0.25325392 0.74674608 0.02380952 1.0 -0.25325392 0.74674608 0.03571429 1.0 -0.25325392 0.74674608 0.04761905 1.0 -0.25325392 0.74674608 0.05952381 1.0 -0.25325392 0.74674608 0.07142857 1.0 -0.25325392 0.74674608 0.08333333 1.0 -0.25325392 0.74674608 0.09523810 1.0 -0.25325392 0.74674608 0.10714286 1.0 -0.25325392 0.74674608 0.11904762 1.0 -0.25325392 0.74674608 0.13095238 1.0 -0.25325392 0.74674608 0.14285714 1.0 -0.25325392 0.74674608 0.15476190 1.0 -0.25325392 0.74674608 0.16666667 1.0 -0.25325392 0.74674608 0.17857143 1.0 -0.25325392 0.74674608 0.19047619 1.0 -0.25325392 0.74674608 0.20238095 1.0 -0.25325392 0.74674608 0.21428571 1.0 -0.25325392 0.74674608 0.22619048 1.0 -0.25325392 0.74674608 0.23809524 1.0 -0.25325392 0.74674608 0.25000000 1.0 -0.25325392 0.74674608 0.26190476 1.0 -0.25325392 0.74674608 0.27380952 1.0 -0.25325392 0.74674608 0.28571429 1.0 -0.25325392 0.74674608 0.29761905 1.0 -0.25325392 0.74674608 0.30952381 1.0 -0.25325392 0.74674608 0.32142857 1.0 -0.25325392 0.74674608 0.33333333 1.0 -0.25325392 0.74674608 0.34523810 1.0 -0.25325392 0.74674608 0.35714286 1.0 -0.25325392 0.74674608 0.36904762 1.0 -0.25325392 0.74674608 0.38095238 1.0 -0.25325392 0.74674608 0.39285714 1.0 -0.25325392 0.74674608 0.40476190 1.0 -0.25325392 0.74674608 0.41666667 1.0 -0.25325392 0.74674608 0.42857143 1.0 -0.25325392 0.74674608 0.44047619 1.0 -0.25325392 0.74674608 0.45238095 1.0 -0.25325392 0.74674608 0.46428571 1.0 -0.25325392 0.74674608 0.47619048 1.0 -0.25325392 0.74674608 0.48809524 1.0 -0.25325392 0.74674608 0.50000000 1.0 -0.25325392 0.74674608 0.50000000 1.0 -0.25912882 0.74087118 0.50000000 1.0 -0.26500373 0.73499627 0.50000000 1.0 -0.27087864 0.72912136 0.50000000 1.0 -0.27675354 0.72324646 0.50000000 1.0 -0.28262845 0.71737155 0.50000000 1.0 -0.28850336 0.71149664 0.50000000 1.0 -0.29437826 0.70562174 0.50000000 1.0 -0.30025317 0.69974683 0.50000000 1.0 -0.30612808 0.69387192 0.50000000 1.0 -0.31200298 0.68799702 0.50000000 1.0 -0.31787789 0.68212211 0.50000000 1.0 -0.32375280 0.67624720 0.50000000 1.0 -0.32962770 0.67037230 0.50000000 1.0 -0.33550261 0.66449739 0.50000000 1.0 -0.34137752 0.65862248 0.50000000 1.0 -0.34725242 0.65274758 0.50000000 1.0 -0.35312733 0.64687267 0.50000000 1.0 -0.35900224 0.64099776 0.50000000 1.0 -0.36487714 0.63512286 0.50000000 1.0 -0.37075205 0.62924795 0.50000000 1.0 -0.37662696 0.62337304 0.50000000 1.0 -0.38250186 0.61749814 0.50000000 1.0 -0.38837677 0.61162323 0.50000000 1.0 -0.39425168 0.60574832 0.50000000 1.0 -0.40012659 0.59987341 0.50000000 1.0 -0.40600149 0.59399851 0.50000000 1.0 -0.41187640 0.58812360 0.50000000 1.0 -0.41775131 0.58224869 0.50000000 1.0 -0.42362621 0.57637379 0.50000000 1.0 -0.42950112 0.57049888 0.50000000 1.0 -0.43537603 0.56462397 0.50000000 1.0 -0.44125093 0.55874907 0.50000000 1.0 -0.44712584 0.55287416 0.50000000 1.0 -0.45300075 0.54699925 0.50000000 1.0 -0.45887565 0.54112435 0.50000000 1.0 -0.46475056 0.53524944 0.50000000 1.0 -0.47062547 0.52937453 0.50000000 1.0 -0.47650037 0.52349963 0.50000000 1.0 -0.48237528 0.51762472 0.50000000 1.0 -0.48825019 0.51174981 0.50000000 1.0 -0.49412509 0.50587491 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.48809524 1.0 -0.50000000 0.50000000 0.47619048 1.0 -0.50000000 0.50000000 0.46428571 1.0 -0.50000000 0.50000000 0.45238095 1.0 -0.50000000 0.50000000 0.44047619 1.0 -0.50000000 0.50000000 0.42857143 1.0 -0.50000000 0.50000000 0.41666667 1.0 -0.50000000 0.50000000 0.40476190 1.0 -0.50000000 0.50000000 0.39285714 1.0 -0.50000000 0.50000000 0.38095238 1.0 -0.50000000 0.50000000 0.36904762 1.0 -0.50000000 0.50000000 0.35714286 1.0 -0.50000000 0.50000000 0.34523810 1.0 -0.50000000 0.50000000 0.33333333 1.0 -0.50000000 0.50000000 0.32142857 1.0 -0.50000000 0.50000000 0.30952381 1.0 -0.50000000 0.50000000 0.29761905 1.0 -0.50000000 0.50000000 0.28571429 1.0 -0.50000000 0.50000000 0.27380952 1.0 -0.50000000 0.50000000 0.26190476 1.0 -0.50000000 0.50000000 0.25000000 1.0 -0.50000000 0.50000000 0.23809524 1.0 -0.50000000 0.50000000 0.22619048 1.0 -0.50000000 0.50000000 0.21428571 1.0 -0.50000000 0.50000000 0.20238095 1.0 -0.50000000 0.50000000 0.19047619 1.0 -0.50000000 0.50000000 0.17857143 1.0 -0.50000000 0.50000000 0.16666667 1.0 -0.50000000 0.50000000 0.15476190 1.0 -0.50000000 0.50000000 0.14285714 1.0 -0.50000000 0.50000000 0.13095238 1.0 -0.50000000 0.50000000 0.11904762 1.0 -0.50000000 0.50000000 0.10714286 1.0 -0.50000000 0.50000000 0.09523810 1.0 -0.50000000 0.50000000 0.08333333 1.0 -0.50000000 0.50000000 0.07142857 1.0 -0.50000000 0.50000000 0.05952381 1.0 -0.50000000 0.50000000 0.04761905 1.0 -0.50000000 0.50000000 0.03571429 1.0 -0.50000000 0.50000000 0.02380952 1.0 -0.50000000 0.50000000 0.01190476 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 -0.05000000 0.05000000 0.50000000 1.0 -0.10000000 0.10000000 0.50000000 1.0 -0.15000000 0.15000000 0.50000000 1.0 -0.20000000 0.20000000 0.50000000 1.0 -0.25000000 0.25000000 0.50000000 1.0 -0.30000000 0.30000000 0.50000000 1.0 -0.35000000 0.35000000 0.50000000 1.0 -0.40000000 0.40000000 0.50000000 1.0 -0.45000000 0.45000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0