&control
calculation='scf'
pseudo_dir = '/home/poonam/node5.6/pseudo',
outdir='2'
prefix='1'
forc_conv_thr =   1.0000000000d-04
etot_conv_thr =   2.4000000000d-04
wf_collect   = .true.
tstress      = .true.
tprnfor      = .true.
/
&system
ibrav = 4, a = 5.949, c = 11.721 
nat= 24, ntyp= 3,
ecutwfc = 120.0, 
ecutrho = 1.4400000000d+03
occupations='smearing', smearing='cold', degauss=0.06
nspin = 2,
nbnd = 120 
starting_magnetization(1)= 0.5
starting_magnetization(2)=-0.5,
lda_plus_u = .true.,
!U_projection_type = 'ortho-atomic'
Hubbard_U(1) = 7.1,
Hubbard_U(2) = 7.1
/
&electrons
conv_thr = 1.0e-4
mixing_mode = 'local-TF'
/
!CELL_PARAMETERS alat
!       2.9745   -5.1519  0.0000 
!       2.9745    5.1519  0.0000  
!       0.0000    0.0000  11.721
ATOMIC_SPECIES
Fe1   1. Fe.pz-nd-rrkjus.UPF
Fe2   1. Fe.pz-nd-rrkjus.UPF
S   1. S.pz-n-rrkjus_psl.0.1.UPF 
ATOMIC_POSITIONS crystal
Fe1  0.3954866316692124  0.0721204949184797  0.1217724210678790
Fe1  0.9278795160815250  0.3233661487507409  0.1217724210678790
Fe1  0.6766338512492591  0.6045133683307876  0.1217724210678790
Fe2  0.3954866316692124  0.0721204949184797  0.3782275859321179
Fe2  0.9278795160815250  0.3233661487507409  0.3782275859321179
Fe2  0.6766338512492591  0.6045133683307876  0.3782275859321179
Fe2  0.0721204949184797  0.3954866316692124  0.8782275859321180
Fe2  0.3233661487507409  0.9278795160815250  0.8782275859321180
Fe2  0.6045133683307876  0.6766338512492591  0.8782275859321180
Fe1  0.0721204949184797  0.3954866316692124  0.6217724140678820
Fe1  0.3233661487507409  0.9278795160815250  0.6217724140678820
Fe1  0.6045133683307876  0.6766338512492591  0.6217724140678820
S   -0.0000000000000000 -0.0000000000000000  0.0000000000000000
S   -0.0000000000000000 -0.0000000000000000  0.5000000000000000
S    0.3333333429999996  0.6666666870000029  0.0251416953082458
S    0.3333333429999996  0.6666666870000029  0.4748582936917498
S    0.6666666870000029  0.3333333429999996  0.9748582936917498
S    0.6666666870000029  0.3333333429999996  0.5251417063082502
S    0.6643064194527374  0.9999477489745914  0.2500000000000000
S    0.0000522750254107  0.6643586704781460  0.2500000000000000
S    0.3356412995218515  0.3356935805472627  0.2500000000000000
S    0.9999477489745914  0.6643064194527374  0.7500000000000000
S    0.6643586704781460  0.0000522750254107  0.7500000000000000
S    0.3356935805472627  0.3356412995218515  0.7500000000000000
K_POINTS (automatic)
8 8 8 0 0 0
