3_ionMin_GaAs.in

&control
	title = 'Electron Ground State for GaAs_1',
	calculation = 'cp',
	restart_mode = 'restart',
	ndr = 51,
	ndw = 51,
	nstep = 50, 
	iprint = 10,
	isave = 100,
	tstress = .TRUE.,
	tprnfor = .TRUE.,
	dt = 1.0d0,
	etot_conv_thr = 1.d-4,
	ekin_conv_thr = 1.d-4,
	prefix = 'GaAs',
	pseudo_dir = './',
	outdir = '/OUTPUT/',
/

&system
	ibrav = 2,
	celldm(1) = 7.6836264,
	nat = 2,
	ntyp = 2,
	nbnd = 36,
	ecutwfc = 33,
	ecutrho = 180
	nr1b=10, nr2b=10, nr3b=10
	noncolin=.true.,
	lspinorb=.true.,
/

&electrons
	emass = 400.d0,
	emass_cutoff = 2.5d0,
	electron_dynamics = 'damp'
	electron_damping = 1.591798051

/

&ions
	ion_dynamics = 'none'
/

&cell
	cell_dynamics = 'none',
	press = 0.0d0,
/

ATOMIC_SPECIES
Ga 2.0d0 Ga.rel-pbe-dn-rrkjus_psl.0.2.UPF
As 1.5d0 As.rel-pbe-n-rrkjus_psl.0.2.UPF

ATOMIC_POSITIONS
Ga	0.00	0.00	0.00
As	0.75	0.75	0.75