INPUT_PARAMETERS
suffix tutorial
pseudo_dir ../../PP_ORB
ntype 1
basis_type pw
calculation md
ecutwfc 40
nbands 64
ks_solver cg
symmetry 0
device gpu
precision double
scf_thr 1e-7
scf_nmax 100
smearing_method gaussian
smearing_sigma 0.01
cal_force 1
cal_stress 1
out_chg 0
md_type nvt
md_nstep 80
md_dt 0.5
md_tfirst 300
md_seed 12345
md_dumpfreq 1
md_restartfreq 40
dft_functional pz
init_vel 1
md_tlast 300
dump_force 1
dump_vel 1
dump_virial 1
md_thermostat rescaling
md_nraise 10
md_tolerance 10
