   0  0  0  0  0  0
   5.0000  15.0000   2   6   6   : GMAX, GMAXP, NTYP, NATM, NATM2
    136   0  :number of space group,type of bravis lattice
   8.6808000000    8.6808000000    5.5894000000  90.0d0 90.0d0 90.0d0 :a,b,c,alpha,belta,gamma
     6  6  8    2   2   2   : n1  n2  n3   m1   m2   m3
    0   0   : NCORD, NINV,   : IWEI, IMDTYP, ITYP
   0.0000000000    0.0000000000    0.0000000000    1    0    1
   0.5000000000    0.5000000000    0.5000000000    1    0    1
   0.3048297777    0.3048297777    0.0000000000    1    1    2
   0.8048297777    0.1951702223    0.5000000000    1    1    2
  -0.3048297777   -0.3048297777    0.0000000000    1    1    2
  -0.8048297777   -0.1951702223    0.5000000000    1    1    2
   22  0.2000  51577.50 6 1 0.0  : TYPE 2IATOMN,ALFA,AMION,ILOC,IVAN
    8  0.2000  51577.50 6 1 0.0  : TYPE 2IATOMN,ALFA,AMION,ILOC,IVAN
    0   0   0   0   0  : ICOND 0-MD, 1-CONT.MD, 2-WAVE FN,, 3-CHARGE DEN.
    0   1   : IPRE, IPRI
   050   600    0   36000.00   0   : NMD1, NMD2, iter_last, CPUMAX, ifstop
    6  1  : SIMPLE=1,BROYD1=2,BROYD2=3,DFP=4,PULAY=5
    0  10   0.10 :  iter_start, kbxmix, alpha
   0.2     0.3  0.20  0.20  0.20    : DTIM1, DTIM2, DTIM3, DTIM4, dtim_last
 300.00     2    1    0.50D-08   : DTIO ,IMDALG, IEXPL, EDELTA
   0.0002  0.05D+02        0        : WIDTH
lda+u    1                       : XCTYPE, NSPIN
   1.00   3                         : DESTM
   102  : NBZTYP 0-SF, 1-BK, 2-SC, 3-BCC, 4-FCC, 5-DIA, 6-HEX
    2   2   2   : NKX, NKY, NKZ 
    2   2   2   : NKX2,NKY2,NKZ2
     30          : NEG
        1       : NEXTST(MB)
        0       : 0; random numbers, 1; matrix diagon
        2       :  imsd 1; MSD, 2; Preconditioned
        0       : evaluation of eko difference.0 = no ,1 = yes
        2       : npdosao
        1   8.0
        2   8.0
        -15.00  5.00  0.20   501
        2.30000   0.200000
        1.60000   0.120000
        0.20000    12
1  0
5  5  6  7  8  9
3.0  1.0
        0  0.0  : sm_n
