
 **** DERIVATIVE DATABASE ****    
+DDB, Version number  20230401

  Note : temporary (transfer) database

    usepaw         0
     natom         2
      nkpt         4
    nsppol         1
      nsym        16
    ntypat         1
    occopt         3
     nband        20
     acell  0.66000000000000D+01  0.66000000000000D+01  0.66000000000000D+01
       amu  0.55847000000000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.25000000000000D+02
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf         7
       ixc     -1012
       kpt  0.12500000000000D+00  0.12500000000000D+00  0.25000000000000D+00
            0.37500000000000D+00  0.12500000000000D+00  0.25000000000000D+00
            0.12500000000000D+00  0.37500000000000D+00  0.25000000000000D+00
            0.37500000000000D+00  0.37500000000000D+00  0.25000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        24   24   30
    nspden         2
   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
            0.19999999800920D+01  0.19518589611228D+01  0.43818292459278D-06
            0.00000000000000D+00  0.00000000000000D+00
     rprim  0.50000000000000D+00 -0.50000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.10000000000000D+01
  dfpt_sciss  0.00000000000000D+00
    spinat  0.00000000000000D+00  0.00000000000000D+00  0.40000000000000D+01
            0.00000000000000D+00  0.00000000000000D+00 -0.40000000000000D+01
    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   -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
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.10000000000000D-02
     typat         1    1
       wtk  0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.25000000000000D+00
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.65183548794280D-17  0.50000000000000D+00
     znucl  0.26000000000000D+02
      zion  0.16000000000000D+02
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 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  0.00000000000000D+00  0.00000000000000D+00
     1     5  0.21997262204091D-01  0.00000000000000D+00
     2     5  0.21997262204091D-01  0.00000000000000D+00
     3     5  0.18941350464465D-01  0.00000000000000D+00
     1     6  0.00000000000000D+00  0.00000000000000D+00
     2     6  0.00000000000000D+00  0.00000000000000D+00
     3     6  0.90272255825842D-03  0.00000000000000D+00
  
 Total energy                 - # elements :           1
 -0.24972993197836D+03  0.00000000000000D+00
