&CONTROL	
	calculation = 'scf'
	prefix = 'HgSe_wz_scf_spinorb'
	lkpoint_dir=.false.
	wf_collect=.false.
	max_seconds=169200
/

&SYSTEM
	ibrav = 0
	celldm(1) = 8.12582
	nat = 4
	ntyp = 2
	ecutwfc = 100
        ecutrho = 400
        input_dft='PBE0'
        nqx1=6
        nqx2=6
        nqx3=4
        exxdiv_treatment='none'
	x_gamma_extrapolation=.false.
	occupations='smearing'
	smearing='m-v'
	degauss=0.0019
	nbnd=54
        noncolin=.true.
        lspinorb=.true.
        starting_magnetization(1)=0
	starting_magnetization(2)=0
/

&ELECTRONS
/


ATOMIC_SPECIES
  Hg  200.590  Hg_ONCVr_PBE-1.0.UPF
  Se   78.971  Se.pbe-hgh.UPF
ATOMIC_POSITIONS crystal
Se      -0.000000000  -0.000000000   0.000563799
Hg       0.666667000   0.333333000   0.874436201
Se       0.666667000   0.333333000   0.500563799
Hg       0.000000000   0.000000000   0.374436201
K_POINTS automatic
 6 6 4 0 0 0

CELL_PARAMETERS alat
   1.028492862   0.000000000  -0.000000000
  -0.514246431   0.890700946  -0.000000000
  -0.000000000  -0.000000000   1.689364342	

