INPUT_PARAMETERS
#Parameters (1.General)
suffix				autotest
calculation     	md
ntype				2
symmetry			0
nspin				1
pseudo_dir			../../PP_ORB
orbital_dir			../../PP_ORB

#Parameters (2.PW)
ecutwfc				20
scf_thr				1e-3

#Parameters (4.Relaxation)
scf_nmax			100

#Parameters (5.LCAO)
basis_type			lcao
gamma_only			1

#Parameters (6.Smearing)
smearing_method		gaussian
smearing_sigma		0.02

#Parameters (7.Charge Mixing)
mixing_type			broyden
mixing_beta			0.4

#Parameters (9.Molecular dynamics)
md_type				nve
md_nstep			2
md_dt				1
md_tfirst			300

#Parameters (14.exx)
dft_functional		hse
exx_pca_threshold	1E-1
exx_ccp_rmesh_times	1
exx_separate_loop	1
exx_hybrid_step		2
