&CONTROL
calculation = “scf”
max_seconds = 8.64000e+04
pseudo_dir = “./”
restart_mode = “restart”
tprnfor = .FALSE.
tstress = .FALSE.
/
&SYSTEM
a = 3.67166e+00
c = 7.59423e+00
degauss = 1.00000e-02
ecutrho = 3.92686e+02
ecutwfc = 4.36317e+01
ibrav = 0
nat = 2
ntyp = 2
occupations = “smearing”
smearing = “gaussian”
/
&ELECTRONS
conv_thr = 1.00000e-06
electron_maxstep = 200
mixing_beta = 7.00000e-01
startingpot = “atomic”
startingwfc = “atomic+random”
/
K_POINTS {automatic}
3 3 3 0 0 0
ATOMIC_SPECIES
Zn 65.39000 Zn.pbe-dnl-rrkjus_psl.1.0.0.UPF
C 12.01070 C.pbe-n-rrkjus_psl.1.0.0.UPF
ATOMIC_POSITIONS {angstrom}
Zn 0.000000 1.835829 1.898557
C 1.835829 1.835829 3.797114