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

  Note : temporary (transfer) database

    usepaw         1
     natom         1
      nkpt         1
    nsppol         1
      nsym         1
    ntypat         1
    occopt         7
     nband        24
     acell  0.10000000000000D+02  0.10000000000000D+02  0.10000000000000D+02
       amu  0.20898037000000D+03
   dilatmx  0.10000000000000D+01
      ecut  0.80000000000000D+01
 pawecutdg  0.15000000000000D+02
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf        17
       ixc     -1012
       kpt  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        27   27   27
    nspden         1
   nspinor         2
       occ  0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
            0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
            0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
            0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
            0.99999061922253D+00  0.99999061922253D+00  0.25000611515568D+00
            0.25000611515559D+00  0.25000293447830D+00  0.25000293447816D+00
            0.33114361738401D-06  0.33114361731516D-06  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
     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
  dfpt_sciss  0.00000000000000D+00
    spinat  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    symafm         1
    symrel         1    0    0    0    1    0    0    0    1
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.20000000000000D-01
     typat         1
       wtk  0.10000000000000D+01
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
     znucl  0.83000000000000D+02
      zion  0.15000000000000D+02
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 1st derivatives              - # elements :           9
     1     1 -0.34803526982633D-05  0.00000000000000D+00
     2     1 -0.78921379124001D-06  0.00000000000000D+00
     3     1  0.32403341086551D-05  0.00000000000000D+00
     1     4  0.12011102484508D-03  0.00000000000000D+00
     2     4  0.12011582915809D-03  0.00000000000000D+00
     3     4  0.12011579842286D-03  0.00000000000000D+00
     1     5  0.18824909911227D-08  0.00000000000000D+00
     2     5  0.10105984463203D-08  0.00000000000000D+00
     3     5  0.16616931982244D-09  0.00000000000000D+00
  
 Total energy                 - # elements :           1
 -0.72202149678697D+02  0.00000000000000D+00
