control {
	condition = initial
}

accuracy {
	paw = on
	cutoff_wf = 30 Rydberg
	cutoff_cd = 270 Rydberg
	num_bands = 20
	ksampling {
		method = monk
		mesh { nx = 8, ny = 8, nz = 8 }
	}
	scf_convergence { delta_total_energy = 1.0E-9 }
	force_convergence { max_force = 2.0E-4 }
	initial_charge_density = atomic_charge_density
	initial_wavefunctions = atomic_orbitals
}

structure {
	unit_cell_type = bravais
	unit_cell {
	!	Cryst. Res. Technol., 1992, 27, , 97-100, Leszczynski M., Micovic M., Mendonca C.A.C., Ciepielewska A., Ciepielewski P.
	#units angstrom
		a = 5.6533, b = 5.6533, c = 5.6533
		alpha = 90 , beta = 90 , gamma = 90
	}
	symmetry {
		method = automatic
		tspace { lattice_system = facecentered }
	}
	atom_list {
		atoms {
		#default mobile = on
		#tag element rx ry rz
			Ga   0.00   0.00   0.00
			As   0.25   0.25   0.25
		}
	}
!	magnetic_state = ferro
	element_list {
	#tag element atomicnumber
		Ga   31
		As   33
	}

}

structure_evolution {
	stress {
		sw_stress = on
		sw_stress_correction = on
	}
	lattice {
		sw_optimize_lattice = on
		sw_uniform = on
	}
}
