! Pwscf input file created with ciftopw.py ! Compound: Al6Re &control calculation = 'bands' prefix = 'Al6Re' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 9.5245273582902250 celldm(2) = 1.0000000000000002 celldm(3) = 1.7902198143098065 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.1395867532068840 nat = 14 ntyp = 2 ecutwfc = 54.00000000 ecutrho = 290.00000000 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 Re 186.2070 Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Al 26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 320 0.00000000 0.00000000 0.00000000 1.0 0.01044656 0.01044656 0.00000000 1.0 0.02089312 0.02089312 0.00000000 1.0 0.03133968 0.03133968 0.00000000 1.0 0.04178624 0.04178624 0.00000000 1.0 0.05223280 0.05223280 0.00000000 1.0 0.06267936 0.06267936 0.00000000 1.0 0.07312592 0.07312592 0.00000000 1.0 0.08357248 0.08357248 0.00000000 1.0 0.09401904 0.09401904 0.00000000 1.0 0.10446560 0.10446560 0.00000000 1.0 0.11491216 0.11491216 0.00000000 1.0 0.12535873 0.12535873 0.00000000 1.0 0.13580529 0.13580529 0.00000000 1.0 0.14625185 0.14625185 0.00000000 1.0 0.15669841 0.15669841 0.00000000 1.0 0.16714497 0.16714497 0.00000000 1.0 0.17759153 0.17759153 0.00000000 1.0 0.18803809 0.18803809 0.00000000 1.0 0.19848465 0.19848465 0.00000000 1.0 0.20893121 0.20893121 0.00000000 1.0 0.21937777 0.21937777 0.00000000 1.0 0.22982433 0.22982433 0.00000000 1.0 0.24027089 0.24027089 0.00000000 1.0 0.25071745 0.25071745 0.00000000 1.0 0.26116401 0.26116401 0.00000000 1.0 0.27161057 0.27161057 0.00000000 1.0 0.28205713 0.28205713 0.00000000 1.0 0.29250369 0.29250369 0.00000000 1.0 0.30295025 0.30295025 0.00000000 1.0 0.31339681 0.31339681 0.00000000 1.0 0.32384337 0.32384337 0.00000000 1.0 0.33428993 0.33428993 0.00000000 1.0 0.34473649 0.34473649 0.00000000 1.0 0.35518306 0.35518306 0.00000000 1.0 0.36562962 0.36562962 0.00000000 1.0 0.37607618 0.37607618 0.00000000 1.0 0.38652274 0.38652274 0.00000000 1.0 0.39696930 0.39696930 0.00000000 1.0 0.40741586 0.40741586 0.00000000 1.0 0.41786242 0.41786242 0.00000000 1.0 0.42830898 0.42830898 0.00000000 1.0 0.43875554 0.43875554 0.00000000 1.0 0.43875554 0.43875554 0.00000000 1.0 0.42308570 0.44094284 0.00000000 1.0 0.40741586 0.44313014 0.00000000 1.0 0.39174602 0.44531745 0.00000000 1.0 0.37607618 0.44750475 0.00000000 1.0 0.36040634 0.44969205 0.00000000 1.0 0.34473649 0.45187935 0.00000000 1.0 0.32906665 0.45406665 0.00000000 1.0 0.31339681 0.45625396 0.00000000 1.0 0.29772697 0.45844126 0.00000000 1.0 0.28205713 0.46062856 0.00000000 1.0 0.26638729 0.46281586 0.00000000 1.0 0.25071745 0.46500317 0.00000000 1.0 0.23504761 0.46719047 0.00000000 1.0 0.21937777 0.46937777 0.00000000 1.0 0.20370793 0.47156507 0.00000000 1.0 0.18803809 0.47375237 0.00000000 1.0 0.17236825 0.47593968 0.00000000 1.0 0.15669841 0.47812698 0.00000000 1.0 0.14102857 0.48031428 0.00000000 1.0 0.12535873 0.48250158 0.00000000 1.0 0.10968888 0.48468888 0.00000000 1.0 0.09401904 0.48687619 0.00000000 1.0 0.07834920 0.48906349 0.00000000 1.0 0.06267936 0.49125079 0.00000000 1.0 0.04700952 0.49343809 0.00000000 1.0 0.03133968 0.49562540 0.00000000 1.0 0.01566984 0.49781270 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.02777778 1.0 -0.00000000 0.50000000 0.05555556 1.0 -0.00000000 0.50000000 0.08333333 1.0 -0.00000000 0.50000000 0.11111111 1.0 -0.00000000 0.50000000 0.13888889 1.0 -0.00000000 0.50000000 0.16666667 1.0 -0.00000000 0.50000000 0.19444444 1.0 -0.00000000 0.50000000 0.22222222 1.0 -0.00000000 0.50000000 0.25000000 1.0 -0.00000000 0.50000000 0.27777778 1.0 -0.00000000 0.50000000 0.30555556 1.0 -0.00000000 0.50000000 0.33333333 1.0 -0.00000000 0.50000000 0.36111111 1.0 -0.00000000 0.50000000 0.38888889 1.0 -0.00000000 0.50000000 0.41666667 1.0 -0.00000000 0.50000000 0.44444444 1.0 -0.00000000 0.50000000 0.47222222 1.0 -0.00000000 0.50000000 0.50000000 1.0 -0.00000000 0.50000000 0.50000000 1.0 0.01566984 0.49781270 0.50000000 1.0 0.03133968 0.49562540 0.50000000 1.0 0.04700952 0.49343809 0.50000000 1.0 0.06267936 0.49125079 0.50000000 1.0 0.07834920 0.48906349 0.50000000 1.0 0.09401904 0.48687619 0.50000000 1.0 0.10968888 0.48468888 0.50000000 1.0 0.12535873 0.48250158 0.50000000 1.0 0.14102857 0.48031428 0.50000000 1.0 0.15669841 0.47812698 0.50000000 1.0 0.17236825 0.47593968 0.50000000 1.0 0.18803809 0.47375237 0.50000000 1.0 0.20370793 0.47156507 0.50000000 1.0 0.21937777 0.46937777 0.50000000 1.0 0.23504761 0.46719047 0.50000000 1.0 0.25071745 0.46500317 0.50000000 1.0 0.26638729 0.46281586 0.50000000 1.0 0.28205713 0.46062856 0.50000000 1.0 0.29772697 0.45844126 0.50000000 1.0 0.31339681 0.45625396 0.50000000 1.0 0.32906665 0.45406665 0.50000000 1.0 0.34473649 0.45187935 0.50000000 1.0 0.36040634 0.44969205 0.50000000 1.0 0.37607618 0.44750475 0.50000000 1.0 0.39174602 0.44531745 0.50000000 1.0 0.40741586 0.44313014 0.50000000 1.0 0.42308570 0.44094284 0.50000000 1.0 0.43875554 0.43875554 0.50000000 1.0 0.43875554 0.43875554 0.50000000 1.0 0.42830898 0.42830898 0.50000000 1.0 0.41786242 0.41786242 0.50000000 1.0 0.40741586 0.40741586 0.50000000 1.0 0.39696930 0.39696930 0.50000000 1.0 0.38652274 0.38652274 0.50000000 1.0 0.37607618 0.37607618 0.50000000 1.0 0.36562962 0.36562962 0.50000000 1.0 0.35518306 0.35518306 0.50000000 1.0 0.34473649 0.34473649 0.50000000 1.0 0.33428993 0.33428993 0.50000000 1.0 0.32384337 0.32384337 0.50000000 1.0 0.31339681 0.31339681 0.50000000 1.0 0.30295025 0.30295025 0.50000000 1.0 0.29250369 0.29250369 0.50000000 1.0 0.28205713 0.28205713 0.50000000 1.0 0.27161057 0.27161057 0.50000000 1.0 0.26116401 0.26116401 0.50000000 1.0 0.25071745 0.25071745 0.50000000 1.0 0.24027089 0.24027089 0.50000000 1.0 0.22982433 0.22982433 0.50000000 1.0 0.21937777 0.21937777 0.50000000 1.0 0.20893121 0.20893121 0.50000000 1.0 0.19848465 0.19848465 0.50000000 1.0 0.18803809 0.18803809 0.50000000 1.0 0.17759153 0.17759153 0.50000000 1.0 0.16714497 0.16714497 0.50000000 1.0 0.15669841 0.15669841 0.50000000 1.0 0.14625185 0.14625185 0.50000000 1.0 0.13580529 0.13580529 0.50000000 1.0 0.12535873 0.12535873 0.50000000 1.0 0.11491216 0.11491216 0.50000000 1.0 0.10446560 0.10446560 0.50000000 1.0 0.09401904 0.09401904 0.50000000 1.0 0.08357248 0.08357248 0.50000000 1.0 0.07312592 0.07312592 0.50000000 1.0 0.06267936 0.06267936 0.50000000 1.0 0.05223280 0.05223280 0.50000000 1.0 0.04178624 0.04178624 0.50000000 1.0 0.03133968 0.03133968 0.50000000 1.0 0.02089312 0.02089312 0.50000000 1.0 0.01044656 0.01044656 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.47222222 1.0 0.00000000 -0.00000000 0.44444444 1.0 0.00000000 -0.00000000 0.41666667 1.0 0.00000000 0.00000000 0.38888889 1.0 0.00000000 -0.00000000 0.36111111 1.0 0.00000000 -0.00000000 0.33333333 1.0 0.00000000 0.00000000 0.30555556 1.0 0.00000000 -0.00000000 0.27777778 1.0 0.00000000 -0.00000000 0.25000000 1.0 0.00000000 -0.00000000 0.22222222 1.0 0.00000000 -0.00000000 0.19444444 1.0 0.00000000 -0.00000000 0.16666667 1.0 0.00000000 0.00000000 0.13888889 1.0 0.00000000 -0.00000000 0.11111111 1.0 0.00000000 0.00000000 0.08333333 1.0 0.00000000 -0.00000000 0.05555556 1.0 0.00000000 -0.00000000 0.02777778 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01190476 0.01190476 0.00000000 1.0 -0.02380952 0.02380952 0.00000000 1.0 -0.03571429 0.03571429 0.00000000 1.0 -0.04761905 0.04761905 0.00000000 1.0 -0.05952381 0.05952381 0.00000000 1.0 -0.07142857 0.07142857 0.00000000 1.0 -0.08333333 0.08333333 0.00000000 1.0 -0.09523810 0.09523810 0.00000000 1.0 -0.10714286 0.10714286 0.00000000 1.0 -0.11904762 0.11904762 0.00000000 1.0 -0.13095238 0.13095238 0.00000000 1.0 -0.14285714 0.14285714 0.00000000 1.0 -0.15476190 0.15476190 0.00000000 1.0 -0.16666667 0.16666667 0.00000000 1.0 -0.17857143 0.17857143 0.00000000 1.0 -0.19047619 0.19047619 0.00000000 1.0 -0.20238095 0.20238095 0.00000000 1.0 -0.21428571 0.21428571 0.00000000 1.0 -0.22619048 0.22619048 0.00000000 1.0 -0.23809524 0.23809524 0.00000000 1.0 -0.25000000 0.25000000 0.00000000 1.0 -0.26190476 0.26190476 0.00000000 1.0 -0.27380952 0.27380952 0.00000000 1.0 -0.28571429 0.28571429 0.00000000 1.0 -0.29761905 0.29761905 0.00000000 1.0 -0.30952381 0.30952381 0.00000000 1.0 -0.32142857 0.32142857 0.00000000 1.0 -0.33333333 0.33333333 0.00000000 1.0 -0.34523810 0.34523810 0.00000000 1.0 -0.35714286 0.35714286 0.00000000 1.0 -0.36904762 0.36904762 0.00000000 1.0 -0.38095238 0.38095238 0.00000000 1.0 -0.39285714 0.39285714 0.00000000 1.0 -0.40476190 0.40476190 0.00000000 1.0 -0.41666667 0.41666667 0.00000000 1.0 -0.42857143 0.42857143 0.00000000 1.0 -0.44047619 0.44047619 0.00000000 1.0 -0.45238095 0.45238095 0.00000000 1.0 -0.46428571 0.46428571 0.00000000 1.0 -0.47619048 0.47619048 0.00000000 1.0 -0.48809524 0.48809524 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.48979259 0.51020741 0.00000000 1.0 -0.47958518 0.52041482 0.00000000 1.0 -0.46937777 0.53062223 0.00000000 1.0 -0.45917036 0.54082964 0.00000000 1.0 -0.44896295 0.55103705 0.00000000 1.0 -0.43875554 0.56124446 0.00000000 1.0 -0.43875554 0.56124446 0.00000000 1.0 -0.43875554 0.56124446 0.02777778 1.0 -0.43875554 0.56124446 0.05555556 1.0 -0.43875554 0.56124446 0.08333333 1.0 -0.43875554 0.56124446 0.11111111 1.0 -0.43875554 0.56124446 0.13888889 1.0 -0.43875554 0.56124446 0.16666667 1.0 -0.43875554 0.56124446 0.19444444 1.0 -0.43875554 0.56124446 0.22222222 1.0 -0.43875554 0.56124446 0.25000000 1.0 -0.43875554 0.56124446 0.27777778 1.0 -0.43875554 0.56124446 0.30555556 1.0 -0.43875554 0.56124446 0.33333333 1.0 -0.43875554 0.56124446 0.36111111 1.0 -0.43875554 0.56124446 0.38888889 1.0 -0.43875554 0.56124446 0.41666667 1.0 -0.43875554 0.56124446 0.44444444 1.0 -0.43875554 0.56124446 0.47222222 1.0 -0.43875554 0.56124446 0.50000000 1.0 -0.43875554 0.56124446 0.50000000 1.0 -0.44896295 0.55103705 0.50000000 1.0 -0.45917036 0.54082964 0.50000000 1.0 -0.46937777 0.53062223 0.50000000 1.0 -0.47958518 0.52041482 0.50000000 1.0 -0.48979259 0.51020741 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.47222222 1.0 -0.50000000 0.50000000 0.44444444 1.0 -0.50000000 0.50000000 0.41666667 1.0 -0.50000000 0.50000000 0.38888889 1.0 -0.50000000 0.50000000 0.36111111 1.0 -0.50000000 0.50000000 0.33333333 1.0 -0.50000000 0.50000000 0.30555556 1.0 -0.50000000 0.50000000 0.27777778 1.0 -0.50000000 0.50000000 0.25000000 1.0 -0.50000000 0.50000000 0.22222222 1.0 -0.50000000 0.50000000 0.19444444 1.0 -0.50000000 0.50000000 0.16666667 1.0 -0.50000000 0.50000000 0.13888889 1.0 -0.50000000 0.50000000 0.11111111 1.0 -0.50000000 0.50000000 0.08333333 1.0 -0.50000000 0.50000000 0.05555556 1.0 -0.50000000 0.50000000 0.02777778 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 -0.01190476 0.01190476 0.50000000 1.0 -0.02380952 0.02380952 0.50000000 1.0 -0.03571429 0.03571429 0.50000000 1.0 -0.04761905 0.04761905 0.50000000 1.0 -0.05952381 0.05952381 0.50000000 1.0 -0.07142857 0.07142857 0.50000000 1.0 -0.08333333 0.08333333 0.50000000 1.0 -0.09523810 0.09523810 0.50000000 1.0 -0.10714286 0.10714286 0.50000000 1.0 -0.11904762 0.11904762 0.50000000 1.0 -0.13095238 0.13095238 0.50000000 1.0 -0.14285714 0.14285714 0.50000000 1.0 -0.15476190 0.15476190 0.50000000 1.0 -0.16666667 0.16666667 0.50000000 1.0 -0.17857143 0.17857143 0.50000000 1.0 -0.19047619 0.19047619 0.50000000 1.0 -0.20238095 0.20238095 0.50000000 1.0 -0.21428571 0.21428571 0.50000000 1.0 -0.22619048 0.22619048 0.50000000 1.0 -0.23809524 0.23809524 0.50000000 1.0 -0.25000000 0.25000000 0.50000000 1.0 -0.26190476 0.26190476 0.50000000 1.0 -0.27380952 0.27380952 0.50000000 1.0 -0.28571429 0.28571429 0.50000000 1.0 -0.29761905 0.29761905 0.50000000 1.0 -0.30952381 0.30952381 0.50000000 1.0 -0.32142857 0.32142857 0.50000000 1.0 -0.33333333 0.33333333 0.50000000 1.0 -0.34523810 0.34523810 0.50000000 1.0 -0.35714286 0.35714286 0.50000000 1.0 -0.36904762 0.36904762 0.50000000 1.0 -0.38095238 0.38095238 0.50000000 1.0 -0.39285714 0.39285714 0.50000000 1.0 -0.40476190 0.40476190 0.50000000 1.0 -0.41666667 0.41666667 0.50000000 1.0 -0.42857143 0.42857143 0.50000000 1.0 -0.44047619 0.44047619 0.50000000 1.0 -0.45238095 0.45238095 0.50000000 1.0 -0.46428571 0.46428571 0.50000000 1.0 -0.47619048 0.47619048 0.50000000 1.0 -0.48809524 0.48809524 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0