Fe_afm.pwi

! Slightly modified from
! https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/raw/master/Day-1/example5.Fe/pw.fe_afm.scf.in

 &CONTROL
    prefix='fe',

    !pseudo_dir = 'directory with pseudopotentials',
    !outdir = 'temporary directory for large files'
    !verbosity = 'high',
 /

 &SYSTEM
    ibrav = 1,
    celldm(1) = 5.42,
    nat = 2,
    ntyp = 2,
    ecutwfc = 25.0,
    ecutrho = 200.0,

    occupations='smearing',
    smearing='mv',
    degauss=0.01,

    nspin=2,
    starting_magnetization(1) =  0.6
    starting_magnetization(2) = -0.6
 /

 &ELECTRONS
 /

ATOMIC_SPECIES
# the second field, atomic mass, is not actually used
# except for MD calculations
   Fe1  1.  Fe.pbe-nd-rrkjus.UPF
   Fe2  1.  Fe.pbe-nd-rrkjus.UPF

ATOMIC_POSITIONS crystal
   Fe1 0.0  0.0  0.0
   Fe2 0.5  0.5  0.0
! this is a comment that the code will ignore

K_POINTS automatic
   8 8 8   1 1 1