
 **** 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  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.11530802839211D+01 -0.30608408700252D-17
   1   1   2   1  0.37310854444751D+00  0.10877281243980D-10
   1   1   3   1  0.35077087089796D+00  0.45379067529197D-09
   1   1   1   2 -0.46076695671178D-01 -0.46076705683858D-01
   1   1   2   2  0.15433316644424D+00  0.15433315764147D+00
   1   1   3   2  0.71266229070624D-01  0.71266227390316D-01
   2   1   1   1  0.33082358817298D+00  0.19240170705358D-09
   2   1   2   1  0.71567872270240D+00  0.77751510584310D-17
   2   1   3   1  0.35077091964658D+00 -0.29516876499662D-09
   2   1   1   2 -0.66246941272051D-01 -0.66246956163720D-01
   2   1   2   2 -0.23080507762651D-01 -0.23080519771086D-01
   2   1   3   2  0.71267173583668D-01  0.71267168526864D-01
   3   1   1   1  0.35077060450560D+00  0.16878144979111D-09
   3   1   2   1  0.35077071809161D+00  0.61355717585677D-10
   3   1   3   1  0.70154156698208D+00  0.16516618926684D-18
   3   1   1   2  0.71254928601830D-01  0.71254926909172D-01
   3   1   2   2  0.71258359819809D-01  0.71258357292823D-01
   3   1   3   2  0.14252239450340D+00  0.14252239076488D+00
   1   2   1   1  0.28239059631361D+01 -0.28239059676513D+01
   1   2   2   1  0.11403874976668D+01 -0.11403874972711D+01
   1   2   3   1  0.45248451117701D+00 -0.45248450275678D+00
   1   2   1   2  0.19128426077257D+03 -0.14998120263123D-15
   1   2   2   2  0.88037307498251D+02  0.11378932548160D-06
   1   2   3   2  0.57641479554728D+02  0.16117112960914D-07
   2   2   1   1  0.35901935704335D+01 -0.35901935708341D+01
   2   2   2   1  0.21626580513801D+01 -0.21626580333585D+01
   2   2   3   1  0.45247540384258D+00 -0.45247539970124D+00
   2   2   1   2  0.88342511839282D+02  0.19097423197870D-06
   2   2   2   2  0.15703715831556D+03  0.38098240186312D-15
   2   2   3   2  0.57639625434941D+02 -0.25083936108435D-07
   3   2   1   1  0.45248235106195D+00 -0.45248233794705D+00
   3   2   2   1  0.45246870835154D+00 -0.45246870236764D+00
   3   2   3   1  0.90493981616352D+00 -0.90493980087441D+00
   3   2   1   2  0.57641477081421D+02 -0.12967614009241D-07
   3   2   2   2  0.57639568329555D+02 -0.19122949741254D-07
   3   2   3   2  0.11527723620491D+03  0.80931432740753D-17
