! Pwscf input file created with ciftopw.py
! Compound: NbFeP
&control
calculation = 'bands'
prefix = 'NbFeP'
restart_mode = 'from_scratch'
outdir = './'
wf_collect = .true.
verbosity = 'high'
/
&system
ibrav = 14
celldm(1) = 6.7746676705650000
celldm(2) = 1.7124128312412832
celldm(3) = 1.9542538354253836
celldm(4) = 0.0000000000000001
celldm(5) = 0.0000000000000001
celldm(6) = 0.0000000000000001
nat = 12
ntyp = 3
ecutwfc = 48.00000000
ecutrho = 267.00000000
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
Nb 92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
Fe 55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF
P 30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF
ATOMIC_POSITIONS crystal
K_POINTS crystal
384
0.00000000 0.00000000 0.00000000 1.0
0.01136364 0.00000000 0.00000000 1.0
0.02272727 0.00000000 0.00000000 1.0
0.03409091 0.00000000 0.00000000 1.0
0.04545455 0.00000000 0.00000000 1.0
0.05681818 0.00000000 0.00000000 1.0
0.06818182 0.00000000 0.00000000 1.0
0.07954545 0.00000000 0.00000000 1.0
0.09090909 0.00000000 0.00000000 1.0
0.10227273 0.00000000 0.00000000 1.0
0.11363636 0.00000000 0.00000000 1.0
0.12500000 0.00000000 0.00000000 1.0
0.13636364 0.00000000 0.00000000 1.0
0.14772727 0.00000000 0.00000000 1.0
0.15909091 0.00000000 0.00000000 1.0
0.17045455 0.00000000 0.00000000 1.0
0.18181818 0.00000000 0.00000000 1.0
0.19318182 0.00000000 0.00000000 1.0
0.20454545 0.00000000 0.00000000 1.0
0.21590909 0.00000000 0.00000000 1.0
0.22727273 0.00000000 0.00000000 1.0
0.23863636 0.00000000 0.00000000 1.0
0.25000000 0.00000000 0.00000000 1.0
0.26136364 0.00000000 0.00000000 1.0
0.27272727 0.00000000 0.00000000 1.0
0.28409091 0.00000000 0.00000000 1.0
0.29545455 0.00000000 0.00000000 1.0
0.30681818 0.00000000 0.00000000 1.0
0.31818182 0.00000000 0.00000000 1.0
0.32954545 0.00000000 0.00000000 1.0
0.34090909 0.00000000 0.00000000 1.0
0.35227273 0.00000000 0.00000000 1.0
0.36363636 0.00000000 0.00000000 1.0
0.37500000 0.00000000 0.00000000 1.0
0.38636364 0.00000000 0.00000000 1.0
0.39772727 0.00000000 0.00000000 1.0
0.40909091 0.00000000 0.00000000 1.0
0.42045455 0.00000000 0.00000000 1.0
0.43181818 0.00000000 0.00000000 1.0
0.44318182 0.00000000 0.00000000 1.0
0.45454545 0.00000000 0.00000000 1.0
0.46590909 0.00000000 0.00000000 1.0
0.47727273 0.00000000 0.00000000 1.0
0.48863636 0.00000000 0.00000000 1.0
0.50000000 0.00000000 0.00000000 1.0
0.50000000 0.00000000 0.00000000 1.0
0.50000000 0.01923077 0.00000000 1.0
0.50000000 0.03846154 0.00000000 1.0
0.50000000 0.05769231 0.00000000 1.0
0.50000000 0.07692308 0.00000000 1.0
0.50000000 0.09615385 0.00000000 1.0
0.50000000 0.11538462 0.00000000 1.0
0.50000000 0.13461538 0.00000000 1.0
0.50000000 0.15384615 0.00000000 1.0
0.50000000 0.17307692 0.00000000 1.0
0.50000000 0.19230769 0.00000000 1.0
0.50000000 0.21153846 0.00000000 1.0
0.50000000 0.23076923 0.00000000 1.0
0.50000000 0.25000000 0.00000000 1.0
0.50000000 0.26923077 0.00000000 1.0
0.50000000 0.28846154 0.00000000 1.0
0.50000000 0.30769231 0.00000000 1.0
0.50000000 0.32692308 0.00000000 1.0
0.50000000 0.34615385 0.00000000 1.0
0.50000000 0.36538462 0.00000000 1.0
0.50000000 0.38461538 0.00000000 1.0
0.50000000 0.40384615 0.00000000 1.0
0.50000000 0.42307692 0.00000000 1.0
0.50000000 0.44230769 0.00000000 1.0
0.50000000 0.46153846 0.00000000 1.0
0.50000000 0.48076923 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.48863636 0.50000000 0.00000000 1.0
0.47727273 0.50000000 0.00000000 1.0
0.46590909 0.50000000 0.00000000 1.0
0.45454545 0.50000000 0.00000000 1.0
0.44318182 0.50000000 0.00000000 1.0
0.43181818 0.50000000 0.00000000 1.0
0.42045455 0.50000000 0.00000000 1.0
0.40909091 0.50000000 0.00000000 1.0
0.39772727 0.50000000 0.00000000 1.0
0.38636364 0.50000000 0.00000000 1.0
0.37500000 0.50000000 0.00000000 1.0
0.36363636 0.50000000 0.00000000 1.0
0.35227273 0.50000000 0.00000000 1.0
0.34090909 0.50000000 0.00000000 1.0
0.32954545 0.50000000 0.00000000 1.0
0.31818182 0.50000000 0.00000000 1.0
0.30681818 0.50000000 0.00000000 1.0
0.29545455 0.50000000 0.00000000 1.0
0.28409091 0.50000000 0.00000000 1.0
0.27272727 0.50000000 0.00000000 1.0
0.26136364 0.50000000 0.00000000 1.0
0.25000000 0.50000000 0.00000000 1.0
0.23863636 0.50000000 0.00000000 1.0
0.22727273 0.50000000 0.00000000 1.0
0.21590909 0.50000000 0.00000000 1.0
0.20454545 0.50000000 0.00000000 1.0
0.19318182 0.50000000 0.00000000 1.0
0.18181818 0.50000000 0.00000000 1.0
0.17045455 0.50000000 0.00000000 1.0
0.15909091 0.50000000 0.00000000 1.0
0.14772727 0.50000000 0.00000000 1.0
0.13636364 0.50000000 0.00000000 1.0
0.12500000 0.50000000 0.00000000 1.0
0.11363636 0.50000000 0.00000000 1.0
0.10227273 0.50000000 0.00000000 1.0
0.09090909 0.50000000 0.00000000 1.0
0.07954545 0.50000000 0.00000000 1.0
0.06818182 0.50000000 0.00000000 1.0
0.05681818 0.50000000 0.00000000 1.0
0.04545455 0.50000000 0.00000000 1.0
0.03409091 0.50000000 0.00000000 1.0
0.02272727 0.50000000 0.00000000 1.0
0.01136364 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.48076923 0.00000000 1.0
0.00000000 0.46153846 0.00000000 1.0
0.00000000 0.44230769 0.00000000 1.0
0.00000000 0.42307692 0.00000000 1.0
0.00000000 0.40384615 0.00000000 1.0
0.00000000 0.38461538 0.00000000 1.0
0.00000000 0.36538462 0.00000000 1.0
0.00000000 0.34615385 0.00000000 1.0
0.00000000 0.32692308 0.00000000 1.0
0.00000000 0.30769231 0.00000000 1.0
0.00000000 0.28846154 0.00000000 1.0
0.00000000 0.26923077 0.00000000 1.0
0.00000000 0.25000000 0.00000000 1.0
0.00000000 0.23076923 0.00000000 1.0
0.00000000 0.21153846 0.00000000 1.0
0.00000000 0.19230769 0.00000000 1.0
0.00000000 0.17307692 0.00000000 1.0
0.00000000 0.15384615 0.00000000 1.0
0.00000000 0.13461538 0.00000000 1.0
0.00000000 0.11538462 0.00000000 1.0
0.00000000 0.09615385 0.00000000 1.0
0.00000000 0.07692308 0.00000000 1.0
0.00000000 0.05769231 0.00000000 1.0
0.00000000 0.03846154 0.00000000 1.0
0.00000000 0.01923077 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.02173913 1.0
0.00000000 0.00000000 0.04347826 1.0
-0.00000000 0.00000000 0.06521739 1.0
0.00000000 0.00000000 0.08695652 1.0
0.00000000 0.00000000 0.10869565 1.0
-0.00000000 0.00000000 0.13043478 1.0
0.00000000 -0.00000000 0.15217391 1.0
0.00000000 0.00000000 0.17391304 1.0
0.00000000 0.00000000 0.19565217 1.0
0.00000000 0.00000000 0.21739130 1.0
0.00000000 0.00000000 0.23913043 1.0
-0.00000000 0.00000000 0.26086957 1.0
0.00000000 0.00000000 0.28260870 1.0
0.00000000 -0.00000000 0.30434783 1.0
0.00000000 0.00000000 0.32608696 1.0
0.00000000 0.00000000 0.34782609 1.0
0.00000000 0.00000000 0.36956522 1.0
0.00000000 0.00000000 0.39130435 1.0
0.00000000 -0.00000000 0.41304348 1.0
0.00000000 0.00000000 0.43478261 1.0
0.00000000 0.00000000 0.45652174 1.0
0.00000000 0.00000000 0.47826087 1.0
0.00000000 0.00000000 0.50000000 1.0
0.00000000 0.00000000 0.50000000 1.0
0.01136364 0.00000000 0.50000000 1.0
0.02272727 0.00000000 0.50000000 1.0
0.03409091 0.00000000 0.50000000 1.0
0.04545455 0.00000000 0.50000000 1.0
0.05681818 0.00000000 0.50000000 1.0
0.06818182 0.00000000 0.50000000 1.0
0.07954545 0.00000000 0.50000000 1.0
0.09090909 -0.00000000 0.50000000 1.0
0.10227273 0.00000000 0.50000000 1.0
0.11363636 0.00000000 0.50000000 1.0
0.12500000 -0.00000000 0.50000000 1.0
0.13636364 0.00000000 0.50000000 1.0
0.14772727 0.00000000 0.50000000 1.0
0.15909091 0.00000000 0.50000000 1.0
0.17045455 0.00000000 0.50000000 1.0
0.18181818 0.00000000 0.50000000 1.0
0.19318182 0.00000000 0.50000000 1.0
0.20454545 0.00000000 0.50000000 1.0
0.21590909 0.00000000 0.50000000 1.0
0.22727273 0.00000000 0.50000000 1.0
0.23863636 0.00000000 0.50000000 1.0
0.25000000 0.00000000 0.50000000 1.0
0.26136364 0.00000000 0.50000000 1.0
0.27272727 0.00000000 0.50000000 1.0
0.28409091 0.00000000 0.50000000 1.0
0.29545455 0.00000000 0.50000000 1.0
0.30681818 0.00000000 0.50000000 1.0
0.31818182 0.00000000 0.50000000 1.0
0.32954545 -0.00000000 0.50000000 1.0
0.34090909 0.00000000 0.50000000 1.0
0.35227273 0.00000000 0.50000000 1.0
0.36363636 0.00000000 0.50000000 1.0
0.37500000 0.00000000 0.50000000 1.0
0.38636364 0.00000000 0.50000000 1.0
0.39772727 0.00000000 0.50000000 1.0
0.40909091 0.00000000 0.50000000 1.0
0.42045455 0.00000000 0.50000000 1.0
0.43181818 0.00000000 0.50000000 1.0
0.44318182 0.00000000 0.50000000 1.0
0.45454545 0.00000000 0.50000000 1.0
0.46590909 0.00000000 0.50000000 1.0
0.47727273 0.00000000 0.50000000 1.0
0.48863636 0.00000000 0.50000000 1.0
0.50000000 0.00000000 0.50000000 1.0
0.50000000 0.00000000 0.50000000 1.0
0.50000000 0.01923077 0.50000000 1.0
0.50000000 0.03846154 0.50000000 1.0
0.50000000 0.05769231 0.50000000 1.0
0.50000000 0.07692308 0.50000000 1.0
0.50000000 0.09615385 0.50000000 1.0
0.50000000 0.11538462 0.50000000 1.0
0.50000000 0.13461538 0.50000000 1.0
0.50000000 0.15384615 0.50000000 1.0
0.50000000 0.17307692 0.50000000 1.0
0.50000000 0.19230769 0.50000000 1.0
0.50000000 0.21153846 0.50000000 1.0
0.50000000 0.23076923 0.50000000 1.0
0.50000000 0.25000000 0.50000000 1.0
0.50000000 0.26923077 0.50000000 1.0
0.50000000 0.28846154 0.50000000 1.0
0.50000000 0.30769231 0.50000000 1.0
0.50000000 0.32692308 0.50000000 1.0
0.50000000 0.34615385 0.50000000 1.0
0.50000000 0.36538462 0.50000000 1.0
0.50000000 0.38461538 0.50000000 1.0
0.50000000 0.40384615 0.50000000 1.0
0.50000000 0.42307692 0.50000000 1.0
0.50000000 0.44230769 0.50000000 1.0
0.50000000 0.46153846 0.50000000 1.0
0.50000000 0.48076923 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.48863636 0.50000000 0.50000000 1.0
0.47727273 0.50000000 0.50000000 1.0
0.46590909 0.50000000 0.50000000 1.0
0.45454545 0.50000000 0.50000000 1.0
0.44318182 0.50000000 0.50000000 1.0
0.43181818 0.50000000 0.50000000 1.0
0.42045455 0.50000000 0.50000000 1.0
0.40909091 0.50000000 0.50000000 1.0
0.39772727 0.50000000 0.50000000 1.0
0.38636364 0.50000000 0.50000000 1.0
0.37500000 0.50000000 0.50000000 1.0
0.36363636 0.50000000 0.50000000 1.0
0.35227273 0.50000000 0.50000000 1.0
0.34090909 0.50000000 0.50000000 1.0
0.32954545 0.50000000 0.50000000 1.0
0.31818182 0.50000000 0.50000000 1.0
0.30681818 0.50000000 0.50000000 1.0
0.29545455 0.50000000 0.50000000 1.0
0.28409091 0.50000000 0.50000000 1.0
0.27272727 0.50000000 0.50000000 1.0
0.26136364 0.50000000 0.50000000 1.0
0.25000000 0.50000000 0.50000000 1.0
0.23863636 0.50000000 0.50000000 1.0
0.22727273 0.50000000 0.50000000 1.0
0.21590909 0.50000000 0.50000000 1.0
0.20454545 0.50000000 0.50000000 1.0
0.19318182 0.50000000 0.50000000 1.0
0.18181818 0.50000000 0.50000000 1.0
0.17045455 0.50000000 0.50000000 1.0
0.15909091 0.50000000 0.50000000 1.0
0.14772727 0.50000000 0.50000000 1.0
0.13636364 0.50000000 0.50000000 1.0
0.12500000 0.50000000 0.50000000 1.0
0.11363636 0.50000000 0.50000000 1.0
0.10227273 0.50000000 0.50000000 1.0
0.09090909 0.50000000 0.50000000 1.0
0.07954545 0.50000000 0.50000000 1.0
0.06818182 0.50000000 0.50000000 1.0
0.05681818 0.50000000 0.50000000 1.0
0.04545455 0.50000000 0.50000000 1.0
0.03409091 0.50000000 0.50000000 1.0
0.02272727 0.50000000 0.50000000 1.0
0.01136364 0.50000000 0.50000000 1.0
0.00000000 0.50000000 0.50000000 1.0
0.00000000 0.50000000 0.50000000 1.0
0.00000000 0.48076923 0.50000000 1.0
0.00000000 0.46153846 0.50000000 1.0
0.00000000 0.44230769 0.50000000 1.0
0.00000000 0.42307692 0.50000000 1.0
0.00000000 0.40384615 0.50000000 1.0
0.00000000 0.38461538 0.50000000 1.0
0.00000000 0.36538462 0.50000000 1.0
0.00000000 0.34615385 0.50000000 1.0
0.00000000 0.32692308 0.50000000 1.0
0.00000000 0.30769231 0.50000000 1.0
0.00000000 0.28846154 0.50000000 1.0
0.00000000 0.26923077 0.50000000 1.0
0.00000000 0.25000000 0.50000000 1.0
0.00000000 0.23076923 0.50000000 1.0
0.00000000 0.21153846 0.50000000 1.0
0.00000000 0.19230769 0.50000000 1.0
0.00000000 0.17307692 0.50000000 1.0
0.00000000 0.15384615 0.50000000 1.0
0.00000000 0.13461538 0.50000000 1.0
0.00000000 0.11538462 0.50000000 1.0
0.00000000 0.09615385 0.50000000 1.0
0.00000000 0.07692308 0.50000000 1.0
0.00000000 0.05769231 0.50000000 1.0
0.00000000 0.03846154 0.50000000 1.0
0.00000000 0.01923077 0.50000000 1.0
0.00000000 0.00000000 0.50000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.02173913 1.0
0.00000000 0.50000000 0.04347826 1.0
-0.00000000 0.50000000 0.06521739 1.0
0.00000000 0.50000000 0.08695652 1.0
0.00000000 0.50000000 0.10869565 1.0
-0.00000000 0.50000000 0.13043478 1.0
0.00000000 0.50000000 0.15217391 1.0
0.00000000 0.50000000 0.17391304 1.0
0.00000000 0.50000000 0.19565217 1.0
0.00000000 0.50000000 0.21739130 1.0
0.00000000 0.50000000 0.23913043 1.0
-0.00000000 0.50000000 0.26086957 1.0
0.00000000 0.50000000 0.28260870 1.0
0.00000000 0.50000000 0.30434783 1.0
0.00000000 0.50000000 0.32608696 1.0
0.00000000 0.50000000 0.34782609 1.0
0.00000000 0.50000000 0.36956522 1.0
0.00000000 0.50000000 0.39130435 1.0
0.00000000 0.50000000 0.41304348 1.0
0.00000000 0.50000000 0.43478261 1.0
0.00000000 0.50000000 0.45652174 1.0
0.00000000 0.50000000 0.47826087 1.0
0.00000000 0.50000000 0.50000000 1.0
0.50000000 0.00000000 0.50000000 1.0
0.50000000 0.00000000 0.47826087 1.0
0.50000000 -0.00000000 0.45652174 1.0
0.50000000 0.00000000 0.43478261 1.0
0.50000000 -0.00000000 0.41304348 1.0
0.50000000 0.00000000 0.39130435 1.0
0.50000000 0.00000000 0.36956522 1.0
0.50000000 -0.00000000 0.34782609 1.0
0.50000000 0.00000000 0.32608696 1.0
0.50000000 -0.00000000 0.30434783 1.0
0.50000000 0.00000000 0.28260870 1.0
0.50000000 0.00000000 0.26086957 1.0
0.50000000 0.00000000 0.23913043 1.0
0.50000000 -0.00000000 0.21739130 1.0
0.50000000 0.00000000 0.19565217 1.0
0.50000000 -0.00000000 0.17391304 1.0
0.50000000 0.00000000 0.15217391 1.0
0.50000000 -0.00000000 0.13043478 1.0
0.50000000 0.00000000 0.10869565 1.0
0.50000000 0.00000000 0.08695652 1.0
0.50000000 0.00000000 0.06521739 1.0
0.50000000 0.00000000 0.04347826 1.0
0.50000000 0.00000000 0.02173913 1.0
0.50000000 0.00000000 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.02173913 1.0
0.50000000 0.50000000 0.04347826 1.0
0.50000000 0.50000000 0.06521739 1.0
0.50000000 0.50000000 0.08695652 1.0
0.50000000 0.50000000 0.10869565 1.0
0.50000000 0.50000000 0.13043478 1.0
0.50000000 0.50000000 0.15217391 1.0
0.50000000 0.50000000 0.17391304 1.0
0.50000000 0.50000000 0.19565217 1.0
0.50000000 0.50000000 0.21739130 1.0
0.50000000 0.50000000 0.23913043 1.0
0.50000000 0.50000000 0.26086957 1.0
0.50000000 0.50000000 0.28260870 1.0
0.50000000 0.50000000 0.30434783 1.0
0.50000000 0.50000000 0.32608696 1.0
0.50000000 0.50000000 0.34782609 1.0
0.50000000 0.50000000 0.36956522 1.0
0.50000000 0.50000000 0.39130435 1.0
0.50000000 0.50000000 0.41304348 1.0
0.50000000 0.50000000 0.43478261 1.0
0.50000000 0.50000000 0.45652174 1.0
0.50000000 0.50000000 0.47826087 1.0
0.50000000 0.50000000 0.50000000 1.0