&control
 calculation='scf'
 restart_mode='from_scratch'
 prefix='ni'
 pseudo_dir = './'
 outdir = './outdir'
! forc_conv_thr = 0.0005
! tstress = .TRUE.
! tprnfor = .true.
verbosity='high'
/
&system
 ibrav= 0
! celldm(1) = 6.473099331
! celldm(2) = 0.8217527
! celldm(3) = 2.4707851
 nat= 9
 ntyp= 4
 ecutwfc = 150
! ecutrho = 640
 occupations = 'smearing'
 smearing='gaussian'
 degauss = 0.01
 starting_magnetization(4) = 1.0
! nspin = 2
 nbnd = 84
! vdw_corr = 'grimme-d2'
lspinorb = .true.
noncolin = .true.
angle1(4) = 0.0
angle2(4) = 0.0
/
&electrons
 conv_thr = 1.0d-8
 startingwfc='random'
diagonalization='cg'
! electron_maxstep = 1000
! mixing_beta = 0.4
/
ATOMIC_SPECIES
Sr  87.620  Sr.r.upf
Ti  47.867  Ti.r.upf
O   15.999  O.r.upf
Ni  58.6934 Ni.r.upf
ATOMIC_POSITIONS (angstrom)
Sr               0.0000000000        0.0000000000        2.1311168147
Ti               1.9550000430        1.9550000430        3.8931201239
O                1.9550000430        1.9550000430        1.8743186300
O                0.0000000000        1.9550000430        3.9186852638
O                1.9550000430        0.0000000000        3.9186852638
Ni               0.0000000000        0.0000000000        7.1677945000
Ni               1.9550000430        1.9550000430        7.2152896910
Ni               1.9550000430        0.0000000000        5.8504948569
Ni               0.0000000000        1.9550000430        5.8504948569

K_POINTS AUTOMATIC
12 12 2 0 0 0
CELL_PARAMETERS {angstrom}
3.9100000000         0.0000000000         0.0000000000
0.0000000000         3.9100000000         0.0000000000
0.0000000000         0.0000000000         20.000000000
