
 **** 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  2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.74269316668268D+00 -0.10242034969844D-16
   1   1   2   1  0.37454746515639D+00 -0.51686113530702D-04
   1   1   3   1  0.36815488144163D+00 -0.51686139149172D-04
   1   1   1   2  0.23737589661764D-07  0.29113897429260D+00
   1   1   2   2 -0.10252650202040D-02  0.25365280498651D+00
   1   1   3   2 -0.10252810804496D-02  0.37304091454487D-01
   2   1   1   1  0.37454746541437D+00  0.51686701805606D-04
   2   1   2   1  0.74258888782624D+00  0.74032997758297D-17
   2   1   3   1  0.36805060321577D+00  0.51686825464406D-04
   2   1   1   2  0.10253074181252D-02  0.25365279818334D+00
   2   1   2   2  0.11703185619865D-07  0.29320749670889D+00
   2   1   3   2  0.10252715233743D-02  0.39372605514350D-01
   3   1   1   1  0.36815488137469D+00  0.51686625661027D-04
   3   1   2   1  0.36805060323600D+00 -0.51686220259779D-04
   3   1   3   1  0.73620548492367D+00  0.78394374781856D-18
   3   1   1   2  0.10252783671139D-02  0.37304091794170D-01
   3   1   2   2 -0.10252805011103D-02  0.39372607618250D-01
   3   1   3   2 -0.71392887685449D-08  0.76676698767990D-01
   1   2   1   1 -0.49938522194261D-08 -0.14433392606085D+02
   1   2   2   1 -0.12561810976007D-02 -0.12607384970993D+02
   1   2   3   1 -0.12561675350453D-02 -0.18262307420320D+01
   1   2   1   2  0.17630915713369D+03 -0.50185971352235D-15
   1   2   2   2  0.11142933381379D+03 -0.32015161233867D+00
   1   2   3   2  0.64936681125442D+02 -0.32015176758551D+00
   2   2   1   1  0.12561808974360D-02 -0.12607384969606D+02
   2   2   2   1  0.21863624478426D-07 -0.14430858244070D+02
   2   2   3   1  0.12562110633256D-02 -0.18236963605477D+01
   2   2   1   2  0.11142933383766D+03  0.32015206349145D+00
   2   2   2   2  0.17566324513000D+03  0.36276168901566D-15
   2   2   3   2  0.64290769290515D+02  0.32015173959931D+00
   3   2   1   1  0.12561975884352D-02 -0.18262307362807D+01
   3   2   2   1 -0.12561716716611D-02 -0.18236963551499D+01
   3   2   3   1  0.14939708084436D-07 -0.36499271019927D+01
   3   2   1   2  0.64936681137385D+02  0.32015173428776D+00
   3   2   2   2  0.64290769251983D+02 -0.32015175977275D+00
   3   2   3   2  0.12922745040290D+03  0.38413243643109D-16
