
 **** 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  5.00000000E-01  5.00000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.63888675442202D+00  0.00000000000000D+00
   1   1   2   1  0.33628440463261D+00  0.65352011267698D-10
   1   1   3   1  0.30274414996001D+00 -0.11576079779038D-09
   1   1   1   2  0.14316462059163D-01  0.29021908000292D-09
   1   1   2   2 -0.23048214163410D+00 -0.46286014727109D-09
   1   1   3   2  0.24138905148880D+00 -0.28879314814767D-09
   2   1   1   1  0.33628440464222D+00  0.76260960393393D-10
   2   1   2   1  0.63884145127770D+00  0.00000000000000D+00
   2   1   3   1  0.30269884524288D+00  0.10548859403984D-09
   2   1   1   2 -0.23048222585663D+00  0.35879424614824D-09
   2   1   2   2  0.15412327621778D-01 -0.13344539075468D-08
   2   1   3   2  0.24248495222550D+00  0.29520106930136D-09
   3   1   1   1  0.30274371813493D+00 -0.17664097517008D-09
   3   1   2   1  0.30269841370271D+00 -0.46702085177034D-10
   3   1   3   1  0.60544250184013D+00  0.00000000000000D+00
   3   1   1   2  0.24136273864894D+00  0.27438500680127D-09
   3   1   2   2  0.24245863993472D+00 -0.96617835885857D-09
   3   1   3   2  0.48384503696185D+00 -0.14050311827894D-08
   1   2   1   1  0.30084074979258D+01 -0.60804885271228D-09
   1   2   2   1  0.12018987259990D+01  0.38868973809424D-09
   1   2   3   1  0.18164699659173D+01 -0.68137718828476D-09
   1   2   1   2  0.14807988380840D+03  0.00000000000000D+00
   1   2   2   2  0.97317784705891D+02 -0.18263667712406D-07
   1   2   3   2  0.52034067249876D+02  0.30863612552884D-08
   2   2   1   1  0.12018986032068D+01 -0.73220923282795D-11
   2   2   2   1  0.30052274592254D+01  0.13876471787154D-08
   2   2   3   1  0.18132899161469D+01  0.14808630793484D-08
   2   2   1   2  0.97317786218006D+02 -0.34456572389301D-07
   2   2   2   2  0.14767390531930D+03  0.00000000000000D+00
   2   2   3   2  0.51628077656304D+02 -0.49640982156116D-08
   3   2   1   1  0.18164465815612D+01 -0.44691086415344D-09
   3   2   2   1  0.18132665243177D+01  0.10627081147239D-08
   3   2   3   1  0.36297093062104D+01  0.45015856146596D-09
   3   2   1   2  0.52034133317795D+02 -0.46162511080259D-07
   3   2   2   2  0.51628143713584D+02 -0.23545099703655D-07
   3   2   3   2  0.10365518474024D+03  0.00000000000000D+00
