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

  Note : temporary (transfer) database                                                                                                                                                                                                                                   

    usepaw         0
     natom         1
      nkpt         6
    nsppol         1
      nsym        48
    ntypat         1
    occopt         3
     nband         8
     acell  0.54200000000000D+01  0.54200000000000D+01  0.54200000000000D+01
       amu  0.55847000000000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.18000000000000D+02
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf         5
       ixc         1
       kpt  0.12500000000000D+00  0.12500000000000D+00  0.12500000000000D+00
            0.37500000000000D+00  0.12500000000000D+00  0.12500000000000D+00
           -0.12500000000000D+00  0.12500000000000D+00  0.12500000000000D+00
           -0.37500000000000D+00  0.37500000000000D+00  0.12500000000000D+00
           -0.37500000000000D+00 -0.37500000000000D+00  0.12500000000000D+00
           -0.37500000000000D+00  0.37500000000000D+00  0.37500000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        18   18   18
    nspden         1
   nspinor         1
       occ  0.19999999992439D+01  0.19998907138898D+01  0.19998907138886D+01
            0.12291512900095D+01  0.12291512885254D+01  0.28675590494093D+00
            0.00000000000000D+00  0.00000000000000D+00
     rprim -0.50000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00 -0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00 -0.50000000000000D+00
     sciss  0.00000000000000D+00
    spinat  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   -1   -1    0    0    1    0    1    0
                   1    1    1    0    0   -1    0   -1    0
                   0    1    0    1    0    0   -1   -1   -1
                   0   -1    0   -1    0    0    1    1    1
                   0    0    1   -1   -1   -1    1    0    0
                   0    0   -1    1    1    1   -1    0    0
                   0    1    0    1    0    0    0    0    1
                   0   -1    0   -1    0    0    0    0   -1
                  -1   -1   -1    0    0    1    1    0    0
                   1    1    1    0    0   -1   -1    0    0
                   1    0    0    0    1    0   -1   -1   -1
                  -1    0    0    0   -1    0    1    1    1
                   0    0    1   -1   -1   -1    0    1    0
                   0    0   -1    1    1    1    0   -1    0
                  -1   -1   -1    1    0    0    0    0    1
                   1    1    1   -1    0    0    0    0   -1
                   0    1    0    0    0    1    1    0    0
                   0   -1    0    0    0   -1   -1    0    0
                   1    0    0   -1   -1   -1    0    1    0
                  -1    0    0    1    1    1    0   -1    0
                   0    0    1    0    1    0   -1   -1   -1
                   0    0   -1    0   -1    0    1    1    1
                   1    0    0   -1   -1   -1    0    0    1
                  -1    0    0    1    1    1    0    0   -1
                   0    1    0    0    0    1   -1   -1   -1
                   0   -1    0    0    0   -1    1    1    1
                  -1   -1   -1    1    0    0    0    1    0
                   1    1    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    1    0   -1   -1   -1    0    0    1
                   0   -1    0    1    1    1    0    0   -1
                   1    0    0    0    0    1   -1   -1   -1
                  -1    0    0    0    0   -1    1    1    1
                  -1   -1   -1    0    1    0    1    0    0
                   1    1    1    0   -1    0   -1    0    0
                   0    0    1    1    0    0    0    1    0
                   0    0   -1   -1    0    0    0   -1    0
                  -1   -1   -1    0    1    0    0    0    1
                   1    1    1    0   -1    0    0    0   -1
                   1    0    0    0    0    1    0    1    0
                  -1    0    0    0    0   -1    0   -1    0
                   0    1    0   -1   -1   -1    1    0    0
                   0   -1    0    1    1    1   -1    0    0
                   0    0    1    1    0    0   -1   -1   -1
                   0    0   -1   -1    0    0    1    1    1
     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
       wtk  0.12500000000000D+00  0.18750000000000D+00  0.93750000000000D-01
            0.37500000000000D+00  0.12500000000000D+00  0.93750000000000D-01
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
     znucl  0.26000000000000D+02
      zion  0.80000000000000D+01
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 Total energy                 - # elements :       1
 -0.24661707267544D+02  0.00000000000000D+00
  
 1st derivatives              - # elements :       9
   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   4  0.18895258935011D-01  0.00000000000000D+00
   2   4  0.18895258935011D-01  0.00000000000000D+00
   3   4  0.18895258935011D-01  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
