INPUT_PARAMETERS
#Parameters (General)
suffix              autotest

calculation         md
pseudo_dir          ../../PP_ORB

#Parameters (esolver)
esolver_type        lj
lj_rcut             8.5
lj_epsilon          0.01032
lj_sigma            3.405

cal_force           1
cal_stress          1

#Parameters (MD)
md_nstep            5
md_type             npt
md_dt               1
md_tchain           3
md_tfirst           300
md_tlast            300
md_tfreq            0.01

init_vel            1

#Parameters (NPT)
md_pmode            tri
md_pcouple          none
md_pchain           3
md_pfirst           10
md_plast            10
md_pfreq            0.001
