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

  Note : temporary (transfer) database

    usepaw         0
     natom         2
      nkpt         1
    nsppol         1
      nsym         1
    ntypat         2
    occopt         1
     nband         8
     acell  0.10000000000000D+01  0.10000000000000D+01  0.10000000000000D+01
       amu  0.69410000000000D+01  0.18998403200000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.10000000000000D+02
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf        -2
       ixc         1
       kpt  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+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  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00
     rprim  0.00000000000000D+00  0.38515039744370D+01  0.38515039744370D+01
            0.38515039744370D+01  0.00000000000000D+00  0.38515039744370D+01
            0.38515039744370D+01  0.38515039744370D+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
    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  0.10000000000000D-01
     typat         1    2
       wtk  0.10000000000000D+01
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
     znucl  0.30000000000000D+01  0.90000000000000D+01
      zion  0.10000000000000D+01  0.70000000000000D+01
 
  Description of the potentials (KB energies)
  vrsio8 (for pseudopotentials)=100401
  usepaw =  0
  dimekb =  1       lmnmax=  1
  Atom type=    1   pspso=  0   nekb=   1
  iln lpsang iproj  ekb(:)
     1     0     1     1.2427973E+00
  Atom type=    2   pspso=  0   nekb=   1
  iln lpsang iproj  ekb(:)
     1     0     1     6.3102278E+00
 
 **** Database of total energy derivatives ****
 Number of data blocks=    1

 2nd derivatives (non-stat.)  - # elements :      36
 qpt  0.00000000E+00  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.62087700656981D-01  0.00000000000000D+00
   1   1   2   1  0.31043851082890D-01  0.00000000000000D+00
   1   1   3   1  0.31043850160262D-01  0.00000000000000D+00
   1   1   1   2 -0.33895531779844D+00  0.00000000000000D+00
   1   1   2   2 -0.16947765820200D+00  0.00000000000000D+00
   1   1   3   2 -0.16947765951972D+00  0.00000000000000D+00
   2   1   1   1  0.31043850534281D-01  0.00000000000000D+00
   2   1   2   1  0.62087701443916D-01  0.00000000000000D+00
   2   1   3   1  0.31043850706115D-01  0.00000000000000D+00
   2   1   1   2 -0.16947765275307D+00  0.00000000000000D+00
   2   1   2   2 -0.33895531245657D+00  0.00000000000000D+00
   2   1   3   2 -0.16947765547042D+00  0.00000000000000D+00
   3   1   1   1  0.31043849885351D-01  0.00000000000000D+00
   3   1   2   1  0.31043850933408D-01  0.00000000000000D+00
   3   1   3   1  0.62087701013317D-01  0.00000000000000D+00
   3   1   1   2 -0.16947766181101D+00  0.00000000000000D+00
   3   1   2   2 -0.16947766119547D+00  0.00000000000000D+00
   3   1   3   2 -0.33895531982888D+00  0.00000000000000D+00
   1   2   1   1 -0.20568840308310D+02  0.00000000000000D+00
   1   2   2   1 -0.10284420151837D+02  0.00000000000000D+00
   1   2   3   1 -0.10284420174118D+02  0.00000000000000D+00
   1   2   1   2  0.93044899637166D+02  0.00000000000000D+00
   1   2   2   2  0.46522449834751D+02  0.00000000000000D+00
   1   2   3   2  0.46522449771845D+02  0.00000000000000D+00
   2   2   1   1 -0.10284420154256D+02  0.00000000000000D+00
   2   2   2   1 -0.20568840304728D+02  0.00000000000000D+00
   2   2   3   1 -0.10284420156495D+02  0.00000000000000D+00
   2   2   1   2  0.46522449853845D+02  0.00000000000000D+00
   2   2   2   2  0.93044899567731D+02  0.00000000000000D+00
   2   2   3   2  0.46522449775927D+02  0.00000000000000D+00
   3   2   1   1 -0.10284420150736D+02  0.00000000000000D+00
   3   2   2   1 -0.10284420144096D+02  0.00000000000000D+00
   3   2   3   1 -0.20568840328074D+02  0.00000000000000D+00
   3   2   1   2  0.46522449812637D+02  0.00000000000000D+00
   3   2   2   2  0.46522449749083D+02  0.00000000000000D+00
   3   2   3   2  0.93044899616762D+02  0.00000000000000D+00
