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

  Note : temporary (transfer) database

    usepaw         0
     natom         5
      nkpt        20
    nsppol         1
      nsym        48
    ntypat         3
    occopt         1
     nband        16
     acell  0.18897261328856D+01  0.18897261328856D+01  0.18897261328856D+01
       amu  0.88905850000000D+02  0.26981539000000D+02  0.15999400000000D+02
   dilatmx  0.11000000000000D+01
      ecut  0.44999989941710D+02
    ecutsm  0.50000000000000D+00
     intxc         0
      iscf         7
       ixc   -116133
       kpt  0.62500000000000D-01  0.62500000000000D-01  0.62500000000000D-01
            0.18750000000000D+00  0.62500000000000D-01  0.62500000000000D-01
            0.31250000000000D+00  0.62500000000000D-01  0.62500000000000D-01
            0.43750000000000D+00  0.62500000000000D-01  0.62500000000000D-01
            0.18750000000000D+00  0.18750000000000D+00  0.62500000000000D-01
            0.31250000000000D+00  0.18750000000000D+00  0.62500000000000D-01
            0.43750000000000D+00  0.18750000000000D+00  0.62500000000000D-01
            0.31250000000000D+00  0.31250000000000D+00  0.62500000000000D-01
            0.43750000000000D+00  0.31250000000000D+00  0.62500000000000D-01
            0.43750000000000D+00  0.43750000000000D+00  0.62500000000000D-01
            0.18750000000000D+00  0.18750000000000D+00  0.18750000000000D+00
            0.31250000000000D+00  0.18750000000000D+00  0.18750000000000D+00
            0.43750000000000D+00  0.18750000000000D+00  0.18750000000000D+00
            0.31250000000000D+00  0.31250000000000D+00  0.18750000000000D+00
            0.43750000000000D+00  0.31250000000000D+00  0.18750000000000D+00
            0.43750000000000D+00  0.43750000000000D+00  0.18750000000000D+00
            0.31250000000000D+00  0.31250000000000D+00  0.31250000000000D+00
            0.43750000000000D+00  0.31250000000000D+00  0.31250000000000D+00
            0.43750000000000D+00  0.43750000000000D+00  0.31250000000000D+00
            0.43750000000000D+00  0.43750000000000D+00  0.43750000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        48   48   48
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01
     rprim  0.36726737270599D+01  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.36726737270599D+01  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.36726737270599D+01
  dfpt_sciss  0.00000000000000D+00
    spinat  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
    symafm         1    1    1    1    1    1    1    1    1    1    1    1
                   1    1    1    1    1    1    1    1    1    1    1    1
                   1    1    1    1    1    1    1    1    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
                   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    1    0    0    0    0    1
                   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    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
                  -1    0    0    0    0    1    0    1    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    1    0    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
            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
            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  0.10000000000000D-01
     typat         1    2    3    3    3
       wtk  0.15625000000000D-01  0.46875000000000D-01  0.46875000000000D-01
            0.46875000000000D-01  0.46875000000000D-01  0.93750000000000D-01
            0.93750000000000D-01  0.46875000000000D-01  0.93750000000000D-01
            0.46875000000000D-01  0.15625000000000D-01  0.46875000000000D-01
            0.46875000000000D-01  0.46875000000000D-01  0.93750000000000D-01
            0.46875000000000D-01  0.15625000000000D-01  0.46875000000000D-01
            0.46875000000000D-01  0.15625000000000D-01
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
     znucl  0.39000000000000D+02  0.13000000000000D+02  0.80000000000000D+01
      zion  0.11000000000000D+02  0.30000000000000D+01  0.60000000000000D+01
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 Total energy                 - # elements :       1
 -0.92922797373196D+02  0.00000000000000D+00
  
 1st derivatives              - # elements :      21
   1   1  0.00000000000000D+00  0.00000000000000D+00
   2   1  0.00000000000000D+00  0.00000000000000D+00
   3   1  0.00000000000000D+00  0.00000000000000D+00
   1   2  0.00000000000000D+00  0.00000000000000D+00
   2   2  0.00000000000000D+00  0.00000000000000D+00
   3   2  0.00000000000000D+00  0.00000000000000D+00
   1   3  0.00000000000000D+00  0.00000000000000D+00
   2   3  0.00000000000000D+00  0.00000000000000D+00
   3   3  0.00000000000000D+00  0.00000000000000D+00
   1   4  0.00000000000000D+00  0.00000000000000D+00
   2   4  0.00000000000000D+00  0.00000000000000D+00
   3   4  0.00000000000000D+00  0.00000000000000D+00
   1   5  0.00000000000000D+00  0.00000000000000D+00
   2   5  0.00000000000000D+00  0.00000000000000D+00
   3   5  0.00000000000000D+00  0.00000000000000D+00
   1   8 -0.69747079396720D-08  0.00000000000000D+00
   2   8 -0.69747079344679D-08  0.00000000000000D+00
   3   8 -0.69747079205901D-08  0.00000000000000D+00
   1   9  0.00000000000000D+00  0.00000000000000D+00
   2   9  0.00000000000000D+00  0.00000000000000D+00
   3   9  0.00000000000000D+00  0.00000000000000D+00
