INPUT_PARAMETERS
 #Parameters	(General)
 suffix          autotest
 pseudo_dir	../../tests/PP_ORB
 orbital_dir	../../tests/PP_ORB
 nbands			8
 calculation     md

 #Parameters (Accuracy)
 ecutwfc			 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
 scf_nmax			20

 basis_type		lcao
 md_nstep           10

 cal_stress          1
 stress_thr      1e-6
 cal_force           1
 force_thr_ev    1.0e-3

 ks_solver       genelpa
 mixing_type     broyden
 mixing_beta     0.7

 md_type          nve
 md_restart         0
 md_tfirst        10
 init_vel         1

 read_file_dir   ./

 gamma_only       1 ### Abacus will generate/overwrite a KPT file when gamma_only is set to 1.

 out_wfc_lcao     1
 out_mat_hs           1
 cal_syns	1
 dmax		0.01


### [1] Energy cutoff determines the quality of numerical quadratures in your calculations.
###     So it is strongly recommended to test whether your result (such as converged SCF energies) is
###     converged with respect to the energy cutoff.
