
 **** DERIVATIVE DATABASE ****    
+DDB, Version number    100401

  Note : temporary (transfer) database                                                                                                                                                                                                                                   

    usepaw         0
     natom         2
      nkpt         1
    nsppol         1
      nsym        16
    ntypat         1
    occopt         1
     nband         1
     acell  0.10000000000000D+02  0.10000000000000D+02  0.10000000000000D+02
       amu  0.10079400000000D+01
   dilatmx  0.10000000000000D+01
      ecut  0.10000000000000D+02
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf         7
       ixc         7
       kpt  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        30   30   30
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01
     rprim  0.10000000000000D+01  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.10000000000000D+01  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.10000000000000D+01
     sciss  0.00000000000000D+00
    spinat  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    symafm         1    1    1    1    1    1    1    1    1    1    1    1
                   1    1    1    1
    symrel         1    0    0    0    1    0    0    0    1
                  -1    0    0    0   -1    0    0    0   -1
                  -1    0    0    0    1    0    0    0   -1
                   1    0    0    0   -1    0    0    0    1
                  -1    0    0    0   -1    0    0    0    1
                   1    0    0    0    1    0    0    0   -1
                   1    0    0    0   -1    0    0    0   -1
                  -1    0    0    0    1    0    0    0    1
                   1    0    0    0    0    1    0    1    0
                  -1    0    0    0    0   -1    0   -1    0
                  -1    0    0    0    0    1    0   -1    0
                   1    0    0    0    0   -1    0    1    0
                  -1    0    0    0    0   -1    0    1    0
                   1    0    0    0    0    1    0   -1    0
                   1    0    0    0    0   -1    0   -1    0
                  -1    0    0    0    0    1    0    1    0
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.40000000000000D-01
     typat         1    1
       wtk  0.10000000000000D+01
      xred -0.72647505425348D-01  0.00000000000000D+00  0.00000000000000D+00
            0.72647505425348D-01  0.00000000000000D+00  0.00000000000000D+00
     znucl  0.10000000000000D+01
      zion  0.10000000000000D+01
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 Total energy                 - # elements :       1
 -0.11276435507172D+01  0.00000000000000D+00
  
 1st derivatives              - # elements :      12
   1   1 -0.16588548518868D-03  0.00000000000000D+00
   2   1  0.00000000000000D+00  0.00000000000000D+00
   3   1  0.00000000000000D+00  0.00000000000000D+00
   1   2  0.16588548518868D-03  0.00000000000000D+00
   2   2  0.00000000000000D+00  0.00000000000000D+00
   3   2  0.00000000000000D+00  0.00000000000000D+00
   1   5  0.31899811494217D-04  0.00000000000000D+00
   2   5  0.29219080320410D-04  0.00000000000000D+00
   3   5  0.29219080320410D-04  0.00000000000000D+00
   1   6  0.00000000000000D+00  0.00000000000000D+00
   2   6  0.00000000000000D+00  0.00000000000000D+00
   3   6  0.00000000000000D+00  0.00000000000000D+00
