for vc-relax
&CONTROL
calculation   = 'scf'
title         = 'G-10-scf'
verbosity     = 'high'
restart_mode  = 'from_scratch'
wf_collect    = .FALSE.
tstress       = .TRUE.
tprnfor       = .TRUE.
prefix        = 'G-10-scf'
etot_conv_thr = 1.0e-4
forc_conv_thr = 1.0e-3
disk_io       = 'low'
pseudo_dir    = '/home/hwang/espresso-4.2.1/pseudo'
/

&SYSTEM
ibrav         = 2
celldm        = 14.20419765 !bohr
nat           = 10
ntyp          = 4
nbnd          = 50
ecutwfc       = 50
ecutrho       = 400
nosym         = .FALSE.
!occupations   = 'fixed'
occupations   = 'smearing'
smearing      = 'gauss'
degauss       = 0.0002
nspin                     = 2
!tot_magnetization         = 0
starting_magnetization(1) = 1
starting_magnetization(2) = -1
starting_magnetization(3) = 0
starting_magnetization(4) = 0
/

&ELECTRONS
electron_maxstep  = 100
conv_thr          = 1.0e-7
!conv_thr          = 1.0e-2
mixing_mode       = 'plain'
mixing_beta       = 0.7
mixing_ndim       = 8
diagonalization   = 'david'
diago_david_ndim  = 4
/

ATOMIC_SPECIES
 Mn1 55  Mn.pbe-sp-van.UPF
 Mn2 55  Mn.pbe-sp-van.UPF
 Ca  40  Ca.pbe-nsp-van.UPF
 O  16  O.pbe-rrkjus.UPF

ATOMIC_POSITIONS {crystal}
 Mn1 0.00    0.00    0.00
 Mn2 0.50    0.50    0.50
 Ca  0.25    0.25    0.25
 Ca  0.75    0.75    0.75
 O   0.75    0.25    0.75
 O   0.25    0.75    0.25
 O   0.75    0.75    0.25
 O   0.25    0.25    0.75
 O   0.25    0.75    0.75
 O   0.75    0.25    0.25
 

K_POINTS {automatic}
   6, 6, 6, 0, 0, 0