&CONTROL
    calculation   = "relax"
    dipfield      = .TRUE.
    forc_conv_thr =  1.00000e-03
    max_seconds   =  5.18400e+05
    nstep         = 197
    pseudo_dir    = "C:\Users\USER\.burai\.pseudopot"
    tefield       = .TRUE.
/

&SYSTEM
    a                         =  5.56600e+00
    angle1(1)                 =  0.00000e+00
    angle1(2)                 =  0.00000e+00
    angle1(3)                 =  0.00000e+00
    angle2(1)                 =  0.00000e+00
    angle2(2)                 =  0.00000e+00
    angle2(3)                 =  0.00000e+00
    c                         =  3.44236e+01
    degauss                   =  1.46997e-02
    eamp                      =  1.00000e-03
    ecutrho                   =  4.80000e+02
    ecutwfc                   =  6.00000e+01
    edir                      = 3
    emaxpos                   =  9.50000e-01
    eopreg                    =  5.00000e-02
    ibrav                     = 6
    nat                       = 17
    nspin                     = 2
    ntyp                      = 3
    occupations               = "smearing"
    smearing                  = "methfessel-paxton"
    starting_magnetization(1) =  3.33300e-01
    starting_magnetization(2) =  3.12500e-01
    starting_magnetization(3) =  1.00000e-01
/

&ELECTRONS
    conv_thr         =  1.00000e-06
    diagonalization  = "rmm"
    electron_maxstep = 1001
    mixing_beta      =  1.00000e-01
    mixing_mode      = "local-TF"
    startingpot      = "atomic"
    startingwfc      = "atomic+random"
/

&IONS
    ion_dynamics = "bfgs"
/

&CELL
/

K_POINTS {automatic}
 8  8  1  0 0 0

ATOMIC_SPECIES
Mn     54.93805  Mn.pbe-spn-kjpaw_psl.1.0.0.UPF
Pt    195.07800  Pt.pbe-n-kjpaw_psl.1.0.0.UPF
H       1.00794  H.pbe-kjpaw_psl.1.0.0.UPF

ATOMIC_POSITIONS {crystal}
Pt      0.250000   0.250000   0.560634
Mn      0.000000   0.000000   0.520212
Mn      0.250000   0.250000   0.479789  0 0 0
Mn      0.000000   0.000000   0.439366  0 0 0
Pt      0.250000   0.750000   0.560634
Mn      0.000000   0.500000   0.520212
Mn      0.250000   0.750000   0.479789  0 0 0
Mn      0.000000   0.500000   0.439366  0 0 0
Pt      0.750000   0.250000   0.560634
Mn      0.500000   0.000000   0.520212
Mn      0.750000   0.250000   0.479789  0 0 0
Mn      0.500000   0.000000   0.439366  0 0 0
Pt      0.750000   0.750000   0.560634
Mn      0.500000   0.500000   0.520212
Mn      0.750000   0.750000   0.479789  0 0 0
Mn      0.500000   0.500000   0.439366  0 0 0
H       0.500000   0.250000   0.618734


