! Pwscf input file created with ciftopw.py
! Compound: Rb2Te3
&control
calculation = 'bands'
prefix = 'Rb2Te3'
restart_mode = 'from_scratch'
outdir = './'
wf_collect = .true.
verbosity = 'high'
/
&system
ibrav = 14
celldm(1) = 9.0442285833539984
celldm(2) = 2.2129126619306314
celldm(3) = 3.3658587547012129
celldm(4) = 0.0000000000000001
celldm(5) = 0.0000000000000001
celldm(6) = 0.0000000000000001
nat = 20
ntyp = 2
ecutwfc = 35.00000000
ecutrho = 259.00000000
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
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF
Rb 85.4678 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
ATOMIC_POSITIONS crystal
K_POINTS crystal
244
0.00000000 0.00000000 0.00000000 1.0
0.01515152 0.00000000 0.00000000 1.0
0.03030303 0.00000000 0.00000000 1.0
0.04545455 0.00000000 0.00000000 1.0
0.06060606 0.00000000 0.00000000 1.0
0.07575758 0.00000000 0.00000000 1.0
0.09090909 0.00000000 0.00000000 1.0
0.10606061 0.00000000 0.00000000 1.0
0.12121212 0.00000000 0.00000000 1.0
0.13636364 -0.00000000 0.00000000 1.0
0.15151515 0.00000000 0.00000000 1.0
0.16666667 -0.00000000 0.00000000 1.0
0.18181818 0.00000000 0.00000000 1.0
0.19696970 -0.00000000 0.00000000 1.0
0.21212121 0.00000000 0.00000000 1.0
0.22727273 -0.00000000 0.00000000 1.0
0.24242424 0.00000000 0.00000000 1.0
0.25757576 0.00000000 0.00000000 1.0
0.27272727 -0.00000000 0.00000000 1.0
0.28787879 -0.00000000 0.00000000 1.0
0.30303030 0.00000000 0.00000000 1.0
0.31818182 -0.00000000 0.00000000 1.0
0.33333333 -0.00000000 0.00000000 1.0
0.34848485 0.00000000 0.00000000 1.0
0.36363636 0.00000000 0.00000000 1.0
0.37878788 -0.00000000 0.00000000 1.0
0.39393939 -0.00000000 0.00000000 1.0
0.40909091 0.00000000 0.00000000 1.0
0.42424242 0.00000000 0.00000000 1.0
0.43939394 0.00000000 0.00000000 1.0
0.45454545 -0.00000000 0.00000000 1.0
0.46969697 -0.00000000 0.00000000 1.0
0.48484848 0.00000000 0.00000000 1.0
0.50000000 0.00000000 0.00000000 1.0
0.50000000 0.00000000 0.00000000 1.0
0.50000000 0.03333333 0.00000000 1.0
0.50000000 0.06666667 0.00000000 1.0
0.50000000 0.10000000 0.00000000 1.0
0.50000000 0.13333333 0.00000000 1.0
0.50000000 0.16666667 0.00000000 1.0
0.50000000 0.20000000 0.00000000 1.0
0.50000000 0.23333333 0.00000000 1.0
0.50000000 0.26666667 0.00000000 1.0
0.50000000 0.30000000 0.00000000 1.0
0.50000000 0.33333333 0.00000000 1.0
0.50000000 0.36666667 0.00000000 1.0
0.50000000 0.40000000 0.00000000 1.0
0.50000000 0.43333333 0.00000000 1.0
0.50000000 0.46666667 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.48484848 0.50000000 0.00000000 1.0
0.46969697 0.50000000 0.00000000 1.0
0.45454545 0.50000000 0.00000000 1.0
0.43939394 0.50000000 0.00000000 1.0
0.42424242 0.50000000 0.00000000 1.0
0.40909091 0.50000000 0.00000000 1.0
0.39393939 0.50000000 0.00000000 1.0
0.37878788 0.50000000 0.00000000 1.0
0.36363636 0.50000000 0.00000000 1.0
0.34848485 0.50000000 0.00000000 1.0
0.33333333 0.50000000 0.00000000 1.0
0.31818182 0.50000000 0.00000000 1.0
0.30303030 0.50000000 0.00000000 1.0
0.28787879 0.50000000 0.00000000 1.0
0.27272727 0.50000000 0.00000000 1.0
0.25757576 0.50000000 0.00000000 1.0
0.24242424 0.50000000 0.00000000 1.0
0.22727273 0.50000000 0.00000000 1.0
0.21212121 0.50000000 0.00000000 1.0
0.19696970 0.50000000 0.00000000 1.0
0.18181818 0.50000000 0.00000000 1.0
0.16666667 0.50000000 0.00000000 1.0
0.15151515 0.50000000 0.00000000 1.0
0.13636364 0.50000000 0.00000000 1.0
0.12121212 0.50000000 0.00000000 1.0
0.10606061 0.50000000 0.00000000 1.0
0.09090909 0.50000000 0.00000000 1.0
0.07575758 0.50000000 0.00000000 1.0
0.06060606 0.50000000 0.00000000 1.0
0.04545455 0.50000000 0.00000000 1.0
0.03030303 0.50000000 0.00000000 1.0
0.01515152 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.46666667 0.00000000 1.0
0.00000000 0.43333333 0.00000000 1.0
0.00000000 0.40000000 0.00000000 1.0
0.00000000 0.36666667 0.00000000 1.0
0.00000000 0.33333333 0.00000000 1.0
0.00000000 0.30000000 0.00000000 1.0
0.00000000 0.26666667 0.00000000 1.0
0.00000000 0.23333333 0.00000000 1.0
0.00000000 0.20000000 0.00000000 1.0
0.00000000 0.16666667 0.00000000 1.0
0.00000000 0.13333333 0.00000000 1.0
0.00000000 0.10000000 0.00000000 1.0
0.00000000 0.06666667 0.00000000 1.0
0.00000000 0.03333333 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 0.00000000 0.00000000 1.0
0.00000000 -0.00000000 0.05000000 1.0
0.00000000 -0.00000000 0.10000000 1.0
-0.00000000 -0.00000000 0.15000000 1.0
0.00000000 -0.00000000 0.20000000 1.0
-0.00000000 -0.00000000 0.25000000 1.0
-0.00000000 -0.00000000 0.30000000 1.0
-0.00000000 -0.00000000 0.35000000 1.0
0.00000000 -0.00000000 0.40000000 1.0
-0.00000000 -0.00000000 0.45000000 1.0
-0.00000000 -0.00000000 0.50000000 1.0
-0.00000000 -0.00000000 0.50000000 1.0
0.01515152 -0.00000000 0.50000000 1.0
0.03030303 0.00000000 0.50000000 1.0
0.04545455 0.00000000 0.50000000 1.0
0.06060606 -0.00000000 0.50000000 1.0
0.07575758 0.00000000 0.50000000 1.0
0.09090909 0.00000000 0.50000000 1.0
0.10606061 0.00000000 0.50000000 1.0
0.12121212 0.00000000 0.50000000 1.0
0.13636364 0.00000000 0.50000000 1.0
0.15151515 0.00000000 0.50000000 1.0
0.16666667 0.00000000 0.50000000 1.0
0.18181818 0.00000000 0.50000000 1.0
0.19696970 -0.00000000 0.50000000 1.0
0.21212121 0.00000000 0.50000000 1.0
0.22727273 -0.00000000 0.50000000 1.0
0.24242424 -0.00000000 0.50000000 1.0
0.25757576 0.00000000 0.50000000 1.0
0.27272727 0.00000000 0.50000000 1.0
0.28787879 0.00000000 0.50000000 1.0
0.30303030 0.00000000 0.50000000 1.0
0.31818182 0.00000000 0.50000000 1.0
0.33333333 0.00000000 0.50000000 1.0
0.34848485 0.00000000 0.50000000 1.0
0.36363636 0.00000000 0.50000000 1.0
0.37878788 -0.00000000 0.50000000 1.0
0.39393939 -0.00000000 0.50000000 1.0
0.40909091 -0.00000000 0.50000000 1.0
0.42424242 0.00000000 0.50000000 1.0
0.43939394 0.00000000 0.50000000 1.0
0.45454545 -0.00000000 0.50000000 1.0
0.46969697 -0.00000000 0.50000000 1.0
0.48484848 0.00000000 0.50000000 1.0
0.50000000 0.00000000 0.50000000 1.0
0.50000000 0.00000000 0.50000000 1.0
0.50000000 0.03333333 0.50000000 1.0
0.50000000 0.06666667 0.50000000 1.0
0.50000000 0.10000000 0.50000000 1.0
0.50000000 0.13333333 0.50000000 1.0
0.50000000 0.16666667 0.50000000 1.0
0.50000000 0.20000000 0.50000000 1.0
0.50000000 0.23333333 0.50000000 1.0
0.50000000 0.26666667 0.50000000 1.0
0.50000000 0.30000000 0.50000000 1.0
0.50000000 0.33333333 0.50000000 1.0
0.50000000 0.36666667 0.50000000 1.0
0.50000000 0.40000000 0.50000000 1.0
0.50000000 0.43333333 0.50000000 1.0
0.50000000 0.46666667 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.50000000 0.50000000 0.50000000 1.0
0.48484848 0.50000000 0.50000000 1.0
0.46969697 0.50000000 0.50000000 1.0
0.45454545 0.50000000 0.50000000 1.0
0.43939394 0.50000000 0.50000000 1.0
0.42424242 0.50000000 0.50000000 1.0
0.40909091 0.50000000 0.50000000 1.0
0.39393939 0.50000000 0.50000000 1.0
0.37878788 0.50000000 0.50000000 1.0
0.36363636 0.50000000 0.50000000 1.0
0.34848485 0.50000000 0.50000000 1.0
0.33333333 0.50000000 0.50000000 1.0
0.31818182 0.50000000 0.50000000 1.0
0.30303030 0.50000000 0.50000000 1.0
0.28787879 0.50000000 0.50000000 1.0
0.27272727 0.50000000 0.50000000 1.0
0.25757576 0.50000000 0.50000000 1.0
0.24242424 0.50000000 0.50000000 1.0
0.22727273 0.50000000 0.50000000 1.0
0.21212121 0.50000000 0.50000000 1.0
0.19696970 0.50000000 0.50000000 1.0
0.18181818 0.50000000 0.50000000 1.0
0.16666667 0.50000000 0.50000000 1.0
0.15151515 0.50000000 0.50000000 1.0
0.13636364 0.50000000 0.50000000 1.0
0.12121212 0.50000000 0.50000000 1.0
0.10606061 0.50000000 0.50000000 1.0
0.09090909 0.50000000 0.50000000 1.0
0.07575758 0.50000000 0.50000000 1.0
0.06060606 0.50000000 0.50000000 1.0
0.04545455 0.50000000 0.50000000 1.0
0.03030303 0.50000000 0.50000000 1.0
0.01515152 0.50000000 0.50000000 1.0
0.00000000 0.50000000 0.50000000 1.0
-0.00000000 0.50000000 0.50000000 1.0
-0.00000000 0.46666667 0.50000000 1.0
-0.00000000 0.43333333 0.50000000 1.0
-0.00000000 0.40000000 0.50000000 1.0
-0.00000000 0.36666667 0.50000000 1.0
-0.00000000 0.33333333 0.50000000 1.0
-0.00000000 0.30000000 0.50000000 1.0
-0.00000000 0.26666667 0.50000000 1.0
-0.00000000 0.23333333 0.50000000 1.0
-0.00000000 0.20000000 0.50000000 1.0
-0.00000000 0.16666667 0.50000000 1.0
-0.00000000 0.13333333 0.50000000 1.0
-0.00000000 0.10000000 0.50000000 1.0
-0.00000000 0.06666667 0.50000000 1.0
-0.00000000 0.03333333 0.50000000 1.0
-0.00000000 0.00000000 0.50000000 1.0
0.00000000 0.50000000 0.00000000 1.0
0.00000000 0.50000000 0.05000000 1.0
0.00000000 0.50000000 0.10000000 1.0
-0.00000000 0.50000000 0.15000000 1.0
0.00000000 0.50000000 0.20000000 1.0
-0.00000000 0.50000000 0.25000000 1.0
-0.00000000 0.50000000 0.30000000 1.0
-0.00000000 0.50000000 0.35000000 1.0
0.00000000 0.50000000 0.40000000 1.0
-0.00000000 0.50000000 0.45000000 1.0
-0.00000000 0.50000000 0.50000000 1.0
0.50000000 0.00000000 0.50000000 1.0
0.50000000 -0.00000000 0.45000000 1.0
0.50000000 -0.00000000 0.40000000 1.0
0.50000000 -0.00000000 0.35000000 1.0
0.50000000 0.00000000 0.30000000 1.0
0.50000000 0.00000000 0.25000000 1.0
0.50000000 -0.00000000 0.20000000 1.0
0.50000000 0.00000000 0.15000000 1.0
0.50000000 -0.00000000 0.10000000 1.0
0.50000000 -0.00000000 0.05000000 1.0
0.50000000 0.00000000 0.00000000 1.0
0.50000000 0.50000000 0.00000000 1.0
0.50000000 0.50000000 0.05000000 1.0
0.50000000 0.50000000 0.10000000 1.0
0.50000000 0.50000000 0.15000000 1.0
0.50000000 0.50000000 0.20000000 1.0
0.50000000 0.50000000 0.25000000 1.0
0.50000000 0.50000000 0.30000000 1.0
0.50000000 0.50000000 0.35000000 1.0
0.50000000 0.50000000 0.40000000 1.0
0.50000000 0.50000000 0.45000000 1.0
0.50000000 0.50000000 0.50000000 1.0