  0   0   0   0   0   0                                      : normal input for H2 
  5.000 15.0000   1   2   2                                  : @ GMAX(25Ry), GMAXP(225Ry), NTYP, NATM, NATM2
   1  0                                                      : @ number of space group, type of bravis lattice
    12.0000 12.0000  12.0000  90.0   90.0  90.0              : @ a,b,c,alpha,beta,gamma
    1      1       1       1      1     1                    : knx,kny,knz, k-point shift
    1   0                                                    : NCORD(1=cartesian), NINV(1=inversion symmetry counted)
    0.000000000     0.0000000000    0.0000000000  1  1  1    : @ atomic_position, iwei(1 or 2) imdtyp(1=move) ityp(first type)
    1.600000000     0.0000000000    0.0000000000  1  1  1    : @ for H
    1  0.1500      1.00 3 1 0.0d0  : @ IATOMN(O),ALFA(init_chg),AMION(nucl_mass_for_MD),ILOC(3=d_local),IVAN(1=u_soft),zeta1(init_spin)
    1   0  0  0  0                     @  0-->1              : @ ICOND 0-MD, 1-CONT.MD, 2-WAVE FN,, 3-WAVE FN CONT.,  iconstpw
    0   1                                                    : IPRE, IPRI <--- do not change
   100    30      0     3600.00  0     @  100-->10           : @ NMD1(max_ite_SCF), NMD2(max_ite_tot), iter_last, CPUMAX,ifstop
    6   1                                                    : Simple=1,Broyd2=3,Blugel=6,    1:charge, 2:potential mix.
    0    8  0.80                                             : @ starting mixing, kbxmix,alpha
   0.60  0.50  0.60  0.70  1.00                              : DTIM1, DTIM2, DTIM3, DTIM4, dtim_last <-- time incr for WF in MD
 600.0      4     1    0.10D-07                              : DTIO ,IMDALG(4=DIIS_MD), IEXPL(1=WF extrp), EDELTA(convergence EPS)
   0.0010  1.00D-03    0                                     : WIDTH(k-pt broadening),FORCCR(min_val_for_MD),ISTRESS
ggapbe          1                                            : XCTYPE, nspin(2=LSDA)
   1.00     3                                                : destm(energy_width_STM), n_stm
 102                                                         : NBZTYP(linear corrected TD) 0-SF, 1-BK, 2-SC, 3-BCC, 4-FCC, 5-DIA, 6-HEX
    0   0   0                                                : NKX, NKY, NKZ <--- dummy
    0   0   0                                                : NKX2,NKY2,NKZ2 <--- dummy
    4                                                        : @ NEG(#eigenvalues)
        1                              @    0-->1            : NEXTST(MB)(1=real_space)
        0                                                    : 0; random numbers for trial WF, 1; matrix diagon
        2      0      0      0(MB)     @    2-->1            : imsd(2=davidson), i_2lm, i_sd2another, wksz for phase
        0                                                    : evaluation of eko difference.0 = no ,1 = yes
        2                                                    : npdosao, number of atoms for which PDOS is calculated
        1  2                                                 : list atom_numbers for npdosao times 
 -15.00 5.00 0.20 501                                        : energy range and broadening (eV), maybe requiring redundant parameters
   2.50  0.12                                                : cut-off radius and broadening for Pt
   1.00  0.12                                                : cut-off radius and broadening for H
   0.20  14                                                  : do not change
        0    0.0                                             : sm_n, dopping
