   0 0 0 0 0 0                               : Water molecule in a big box 
  5.00 15.00  1   2   2                      : GMAX, GMAXP, NTYP, NATM, NATM2
   1  0                                      : num_space_group, type of bravis lattice
  25.0  25.0  25.0  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, NINV
   0.0000000   0.0000000   0.00000000  1  1  1
   0.0000000   0.0000000   2.28000000  1  1  1
    8  0.1500  15.9994  3 1 0.4d0            : TYPE 2IATOMN,ALFA,AMION,ILOC,IVAN
 0 0 0 0 0                                   : ICOND 0-MD, 1-CONT.MD, 2-WAVE FN,, 3-WAVE FN CONT.,  iconstpw
    0   1                                    : IPRE, IPRI
    100   200     0    57200.00  0           : NMD1, NMD2, iter_last, CPUMAX,ifstop
    3   1                                    : Simple=1,Broyd2=3,Blugel=6,    1:charge, 2:potential mix.
    0   30  0.2                              : starting mixing, kbxmix,alpha
   0.60  0.50  0.60  0.70  1.00              : DTIM1, DTIM2, DTIM3, DTIM4, dtim_last
  30.00     4     1    0.10D-08  1.d-06      : DTIO ,IMDALG, IEXPL, EDELTA
   0.0010  0.50D+03    0                     : WIDTH,FORCCR,ISTRESS
ggapbe          2                            : XCTYPE, nspin
   1.00     3                                : destm, n_stm
 101                                         : NBZTYP 0-SF, 1-BK, 2-SC, 3-BCC, 4-FCC, 5-DIA, 6-HEX
    0   0   0                                : NKX, NKY, NKZ 
    0   0   0                                : NKX2,NKY2,NKZ2
   16                                        : NEG
        1                                    : NEXTST(MB)
        0                                    : 0; random numbers, 1; matrix diagon
        2      0      0      0(MB)           : imsd, i_2lm, i_sd2another, wksz for phase
        0                                    : evaluation of eko difference.0 = no ,1 = yes
        0                                    : npdosao
        0    0.0                             : SM_N, dopping
