&CONTROL
calculation=’scf’
outdir=’./outdir’
prefix=’Cr’
pseudo_dir=’.’
verbosity=’low’
tprnfor=.true.
tstress=.true.
/
&SYSTEM
ibrav = 0
A = 2.88400
nat = 2
ntyp = 2
ecutwfc=90
ecutrho=360
input_dft=’pbe’
occupations=’smearing’
smearing=’mv’
degauss=0.005d0
nspin=2
starting_magnetization(1)=1
starting_magnetization(2)=-1
/
&ELECTRONS
conv_thr=1d-08
mixing_beta=0.7d0
/
CELL_PARAMETERS {alat}
1.000000000000000 0.000000000000000 0.000000000000000
0.000000000000000 1.000000000000000 0.000000000000000
0.000000000000000 0.000000000000000 1.000000000000000
ATOMIC_SPECIES
Cr1 51.99610 Cr.pbe-sp-van.UPF
Cr2 51.99610 Cr.pbe-sp-van.UPF
ATOMIC_POSITIONS {crystal}
Cr1 0.000000000000000 0.000000000000000 0.000000000000000
Cr2 0.500000000000000 0.500000000000000 0.500000000000000
K_POINTS {automatic}
21 21 21 0 0 0

OUTCOME
Magnetic moment per site:
atom: 1 charge: 12.2618 magn: 1.5864 constr: 0.0000
atom: 2 charge: 12.2618 magn: -1.5864 constr: 0.0000
! total energy = -348.18572857 Ry
total magnetization = 0.00 Bohr mag/cell
absolute magnetization = 3.41 Bohr mag/cell

Task 2 (quiet time-consuming :1 hours)
&CONTROL
calculation=’scf’
restart_mode=’from_scratch’
prefix=’Fe’
outdir=’./outdir’
pseudo_dir=’.’
/
&SYSTEM
ibrav = 0
A = 2.772172827
nat = 2
ntyp = 1
ecutwfc=90
ecutrho=360
occupations=’smearing’
smearing=’mv’
degauss=0.005d0
noncolin=.true.
starting_magnetization(1)=1
angle1(1)=90.0
angle2(1)=0.0
/
&ELECTRONS
conv_thr=1d-08
mixing_beta=0.7d0
/
CELL_PARAMETERS {alat}
1.000000000000000 0.000000000000000 0.000000000000000
0.000000000000000 1.000000000000000 0.000000000000000
0.000000000000000 0.000000000000000 1.000000000000000
ATOMIC_SPECIES
Fe 55.84500 Fe.pbe-spn-kjpaw_psl.0.2.1.UPF
ATOMIC_POSITIONS {crystal}
Fe 0.000000000000000 0.000000000000000 0.000000000000000
Fe 0.500000000000000 0.500000000000000 0.500000000000000
K_POINTS {automatic}
21 21 21 0 0 0

OUTCOME
atom number 1 relative position : 0.0000 0.0000 0.0000
charge : 14.339197
magnetization : 2.102376 -0.000000 -0.000000
magnetization/charge: 0.146617 -0.000000 -0.000000
polar coord.: r, theta, phi [deg] : 2.102376 90.000000 -0.000000

==============================================================================

==============================================================================
atom number 2 relative position : 0.5000 0.5000 0.5000
charge : 14.339159
magnetization : 2.102292 0.000000 0.000000
magnetization/charge: 0.146612 0.000000 0.000000
polar coord.: r, theta, phi [deg] : 2.102292 90.000000 0.000000
! total energy = -658.53904655 Ry