control {
	condition = initial
}

accuracy {
	paw = on
	cutoff_wf = 30 Rydberg
	cutoff_cd = 270 Rydberg
	num_bands = 30
	ksampling {
		method = monk
		mesh { nx = 6, ny = 6, nz = 6 }
	}
	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 {
	atom_list {
		coordinate_system = internal ! { internal|cartesian }
		atoms {
		#default mobile=yes
		#tag element rx ry rz
			Ga  -0.15490000000000   0.15490000000000   0.08100000000000  !  //  Ga
			Ga   0.65490000000000   0.34510000000000   0.58100000000000  !  //  Ga
			Ga   0.34510000000000   0.65490000000000   0.41900000000000  !  //  Ga
			Ga   0.15490000000000  -0.15490000000000  -0.08100000000000  !  //  Ga
		}
	}

	element_list {
	#tag element atomicnumber
		Ga   31
	}
	unit_cell_type = bravais
	unit_cell {
	#units angstrom
		a_vector = 2.26150000000000 -3.83050000000456 0.00000000000000
		b_vector = 2.26150000000000 3.83050000000456 0.00000000000000
		c_vector = 0.00000000000000 0.00000000000000 4.52400000002060
	}

	symmetry {
		method = automatic
	}
}
!charge_mixing {
!mixing_methods {
!#tag no   method   rmxs   rmxe   prec istr  nbmix  update
!1 pulay 0.01 0.01 on 3 15 RENEW
!}
!}
structure_evolution {
	stress {
		sw_stress = on
		sw_stress_correction = on
	}
	lattice {
		sw_optimize_lattice = on
	!	sw_uniform = on
		sw_rebuild_pws = on
		fix_angle_alpha = yes
		fix_angle_beta = yes
	}
}
