Dst01_01
&CONTROL
   prefix           = '***'
   calculation      = 'relax'
   restart_mode     = 'from_scratch'
   pseudo_dir       = './'
   outdir           = './'
   forc_conv_thr    = 3.8d-4
   nstep            = 99
   etot_conv_thr    = 1.0d-4
   tstress          = .true.
   tprnfor          = .true.
 /
&SYSTEM
   ibrav            = 0
   nat              = 64
   ntyp             = 1
   ecutwfc          = 40
   ecutrho          = 360
   occupations      = 'smearing'
   smearing         = 'gaussian'
   degauss          = 0.0022
   !nspin           = 2
   !starting_magnetization(1) = 0.5
   !starting_magnetization(2) = 0.012
   !starting_magnetization(3) = 0.01
   !vdw_corr        = 'DFT-D3'
   celldm(1)        = 14.381854253590324
   celldm(1)        = 1.8896447467876039
 /
&ELECTRONS
   !conv_thr        = 1e-9
   mixing_beta      = 0.3
   electron_maxstep = 500
 /
&IONS
 /
ATOMIC_SPECIES
C      12.0107 C.pbe-n-rrkjus_psl.0.1.UPF
ATOMIC_POSITIONS (crystal)
   C      0.3539225904    0.3539225904    0.3539225904
   C      0.3539225403    0.1460770318    0.1460770318
   C      0.1460770318    0.1460770318    0.3539225403
   C      0.1460770318    0.3539225403    0.1460770318
   C      0.2499995733    0.0000000000    0.2499995733
   C      0.0000000000    0.0000000000    0.0000000000
   C     -0.0000000000    0.2499995733    0.2499995733
   C      0.2499995733    0.2499995733    0.0000000000
   C      0.3539225904    0.3539225904    0.6460774096
   C      0.3539225403    0.1460770318    0.8539229682
   C      0.1460770318    0.1460770318    0.6460774597
   C      0.1460770318    0.3539225403    0.8539229682
   C      0.2499995733    0.0000000000    0.7500004267
   C      0.0000000000    0.0000000000    0.5000000000
   C      0.0000000000    0.2499995733    0.7500004267
   C      0.2499993080    0.2499993080    0.5000000000
   C      0.3539225904    0.6460774096    0.3539225904
   C      0.3539225403    0.8539229682    0.1460770318
   C      0.1460770318    0.8539229682    0.3539225403
   C      0.1460770318    0.6460774597    0.1460770318
   C      0.2499993080    0.5000000000    0.2499993080
   C      0.0000000000    0.5000000000    0.0000000000
   C     -0.0000000000    0.7500004267    0.2499995733
   C      0.2499995733    0.7500004267    0.0000000000
   C      0.3539225904    0.6460774096    0.6460774096
   C      0.3539225403    0.8539229682    0.8539229682
   C      0.1460770318    0.8539229682    0.6460774597
   C      0.1460770318    0.6460774597    0.8539229682
   C      0.2499993080    0.5000000000    0.7500006920
   C      0.0000000000    0.5000000000    0.5000000000
   C      0.0000000000    0.7500004267    0.7500004267
   C      0.2499993080    0.7500006920    0.5000000000
   C      0.6460774096    0.3539225904    0.3539225904
   C      0.6460774597    0.1460770318    0.1460770318
   C      0.8539229682    0.1460770318    0.3539225403
   C      0.8539229682    0.3539225403    0.1460770318
   C      0.7500004267    0.0000000000    0.2499995733
   C      0.5000000000    0.0000000000    0.0000000000
   C      0.5000000000    0.2499993080    0.2499993080
   C      0.7500004267    0.2499995733   -0.0000000000
   C      0.6460774096    0.3539225904    0.6460774096
   C      0.6460774597    0.1460770318    0.8539229682
   C      0.8539229682    0.1460770318    0.6460774597
   C      0.8539229682    0.3539225403    0.8539229682
   C      0.7500004267    0.0000000000    0.7500004267
   C      0.5000000000    0.0000000000    0.5000000000
   C      0.5000000000    0.2499993080    0.7500006920
   C      0.7500006920    0.2499993080    0.5000000000
   C      0.6460774096    0.6460774096    0.3539225904
   C      0.6460774597    0.8539229682    0.1460770318
   C      0.8539229682    0.8539229682    0.3539225403
   C      0.8539229682    0.6460774597    0.1460770318
   C      0.7500006920    0.5000000000    0.2499993080
   C      0.5000000000    0.5000000000    0.0000000000
   C      0.5000000000    0.7500006920    0.2499993080
   C      0.7500004267    0.7500004267   -0.0000000000
   C      0.6460774096    0.6460774096    0.6460774096
   C      0.6460774597    0.8539229682    0.8539229682
   C      0.8539229682    0.8539229682    0.6460774597
   C      0.8539229682    0.6460774597    0.8539229682
   C      0.7500006920    0.5000000000    0.7500006920
   C      0.5000000000    0.5000000000    0.5000000000
   C      0.5000000000    0.7500006920    0.7500006920
   C      0.7500006920    0.7500006920    0.5000000000
K_POINTS automatic
5 5 5 0 0 0
CELL_PARAMETERS {alat}
   0.9273618496    0.0000000000    0.0000000000
   0.0000000000    0.9273618496    0.0000000000
   0.0000000000    0.0000000000    0.9273618496
