&control
calculation  = "relax",
restart_mode = "from_scratch",
wf_collect   = .true.
tstress      = .true.
tprnfor      = .true.
pseudo_dir = '/home/poonam/fes2/pseudo',
outdir='ps'
prefix='Fe'
/
&system
ibrav = 0,  
nat= 24, ntyp= 3,
ecutwfc =90.0, 
occupations='smearing', smearing='cold', degauss=0.01
nspin = 2, 
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
    
/
&ions
/
&cell
/
CELL_PARAMETERS angstrom
 5.9487492159093023   -0.0000000000000000   -0.0000000000000000
-2.9743746079546511    5.1517679417117126    0.0000000000000000
-0.0000000000000000    0.0000000000000000   11.7211034581915818
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
Fe1  0.0721204949184797  0.3954866316692124  0.6217724140678820
Fe1  0.3233661487507409  0.9278795160815250  0.6217724140678820
Fe1  0.6045133683307876  0.6766338512492591  0.6217724140678820
Fe2  0.0721204949184797  0.3954866316692124  0.8782275859321180
Fe2  0.3233661487507409  0.9278795160815250  0.8782275859321180
Fe2  0.6045133683307876  0.6766338512492591  0.8782275859321180
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)
6 6 6 0 0 0
