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

  Note : temporary (transfer) database

    usepaw         0
     natom         2
      nkpt         4
    nsppol         1
      nsym        24
    ntypat         2
    occopt         1
     nband         5
     acell  0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
       amu  0.69723000000000D+02  0.74921590000000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.50000000000000D+01
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf         7
       ixc         1
       kpt  0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.75000000000000D+00
            0.25000000000000D+00  0.75000000000000D+00  0.75000000000000D+00
            0.75000000000000D+00  0.75000000000000D+00  0.75000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        16   16   16
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01  0.00000000000000D+00
     rprim  0.00000000000000D+00  0.53417833227859D+01  0.53417833227859D+01
            0.53417833227859D+01  0.00000000000000D+00  0.53417833227859D+01
            0.53417833227859D+01  0.53417833227859D+01  0.00000000000000D+00
  dfpt_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    1    1    1    1    1    1    1    1
    symrel         1    0    0    0    1    0    0    0    1
                   1    0   -1    0    1   -1    0    0   -1
                   0    1   -1    0    0   -1    1    0   -1
                  -1    1    0   -1    0    0   -1    0    1
                   0   -1    0    0   -1    1    1   -1    0
                  -1    0    0   -1    0    1   -1    1    0
                   0    1    0    1    0    0    0    0    1
                   0    1   -1    1    0   -1    0    0   -1
                  -1    0    0   -1    1    0   -1    0    1
                   0    0   -1    0    1   -1    1    0   -1
                   0   -1    1    0   -1    0    1   -1    0
                  -1    0    1   -1    0    0   -1    1    0
                   0    1    0    0    0    1    1    0    0
                  -1    1    0   -1    0    1   -1    0    0
                   1    0   -1    0    0   -1    0    1   -1
                   1   -1    0    0   -1    0    0   -1    1
                   0    0    1    0    1    0    1    0    0
                  -1    0    1   -1    1    0   -1    0    0
                   0   -1    0    1   -1    0    0   -1    1
                   0    0   -1    1    0   -1    0    1   -1
                   1    0    0    0    0    1    0    1    0
                   1   -1    0    0   -1    1    0   -1    0
                   0   -1    1    1   -1    0    0   -1    0
                   0    0    1    1    0    0    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
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  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
       wtk  0.12500000000000D+00  0.37500000000000D+00  0.37500000000000D+00
            0.12500000000000D+00
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
     znucl  0.31000000000000D+02  0.33000000000000D+02
      zion  0.30000000000000D+01  0.50000000000000D+01
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 Total energy                 - # elements :       1
 -0.10720201258787D+02  0.00000000000000D+00
  
 1st derivatives              - # elements :      12
   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  0.15777218104420D-29  0.00000000000000D+00
   1   5  0.35576386837114D-03  0.00000000000000D+00
   2   5  0.35576386837114D-03  0.00000000000000D+00
   3   5  0.35576386837114D-03  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
