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

  Note : temporary (transfer) database

    usepaw         0
     natom         1
      nkpt         6
    nsppol         2
      nsym        48
    ntypat         1
    occopt         3
     nband        10
     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         7
       ixc        11
       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         2
   nspinor         1
       occ  0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
            0.10000000000000D+01  0.99999999996069D+00  0.99999939402357D+00
            0.99999939402357D+00  0.99292875162288D+00  0.99292875161444D+00
            0.75283119033432D+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
  dfpt_sciss  0.00000000000000D+00
    spinat  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    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  0.16000000000000D+02
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 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  0.57552819900083D-01  0.00000000000000D+00
     2     4  0.57552819900083D-01  0.00000000000000D+00
     3     4  0.57552819900083D-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
  
 Total energy                 - # elements :           1
 -0.12354634980735D+03  0.00000000000000D+00
