&CONTROL
    calculation  = "nscf",
    prefix       = "GeSe_1x1_PBE",
    pseudo_dir   = "C:\Users\kozmo\.burai\.pseudopot",
    restart_mode = "from_scratch",
	tprnfor = .true.
	tstress = .true.
	verbosity = 'high'
/

&SYSTEM
	ibrav = 0,
    nat = 2,
    ntyp = 2,
    ecutwfc = 50,
    ecutrho = 200,
    occupations = 'smearing',
    smearing = 'gaussian',
    degauss = 0.01,
/
&ELECTRONS
	conv_thr = 1.0d-8,
	mixing_beta = 0.7,
/
CELL_PARAMETERS angstrom
    4.38  0.00  0.00
    0.00  3.83  0.00
    0.00  0.00  20.00
ATOMIC_SPECIES
	Ge  72.63  Ge.pbe-dn-kjpaw_psl.1.0.0.UPF
    Se  78.96  Se.pbe-n-kjpaw_psl.1.0.0.UPF
ATOMIC_POSITIONS angstrom
    Ge  0.0000  0.0000  10.0000
    Se  2.1900  1.9150  10.0000
K_POINTS automatic
24 24 1 0 0 0
