INPUT_PARAMETERS
#Parameters	(General)
basis_type	lcao
ks_solver 	genelpa
suffix          md
#pseudo_dir	./
ntype		6	
nbands		1800
calculation     md
gamma_only	1
relax_method     cg
#stress		1
#force           1
chg_extrap       second-order





#Parameters (Accuracy)
ecutwfc		60
scf_nmax	400
scf_thr		1.0e-5
symmetry	0
md_nstep	5000
out_level	m

#Parameters (Smearing)
smearing_method      	gaussian
smearing_sigma      	0.2

#Parameters (6.Mixing)
mixing_type		pulay-kerker
mixing_beta		0.2
mixing_gg0              1.5

#Parameters (md)
md_type 1 //choose ensemble
md_dt 1 //time step
md_tfirst 298 //the first target temperature
md_restart 0 //whether restart md
md_tfreq            0.01
md_dumpfreq       1