
 **** 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  0.77030079150000D+01  0.77030079150000D+01  0.77030079150000D+01
       amu  0.69410000000000D+01  0.18998403200000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.50000000000000D+01
    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        12   12   12
    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  0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  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 -0.80789975629834D+00  0.00000000000000D+00
   1   1   2   1 -0.40394604226033D+00  0.00000000000000D+00
   1   1   3   1 -0.40394637979404D+00  0.00000000000000D+00
   1   1   1   2  0.12053087902795D+01  0.00000000000000D+00
   1   1   2   2  0.60264960450665D+00  0.00000000000000D+00
   1   1   3   2  0.60264891196398D+00  0.00000000000000D+00
   2   1   1   1 -0.40394732068389D+00  0.00000000000000D+00
   2   1   2   1 -0.80789851940528D+00  0.00000000000000D+00
   2   1   3   1 -0.40394724524238D+00  0.00000000000000D+00
   2   1   1   2  0.60264240501590D+00  0.00000000000000D+00
   2   1   2   2  0.12053087378622D+01  0.00000000000000D+00
   2   1   3   2  0.60264276281271D+00  0.00000000000000D+00
   3   1   1   1 -0.40394649547348D+00  0.00000000000000D+00
   3   1   2   1 -0.40394603362135D+00  0.00000000000000D+00
   3   1   3   1 -0.80789981672380D+00  0.00000000000000D+00
   3   1   1   2  0.60264840092571D+00  0.00000000000000D+00
   3   1   2   2  0.60264949916054D+00  0.00000000000000D+00
   3   1   3   2  0.12053087286090D+01  0.00000000000000D+00
   1   2   1   1 -0.34710827586684D+02  0.00000000000000D+00
   1   2   2   1 -0.17355416537183D+02  0.00000000000000D+00
   1   2   3   1 -0.17355417446057D+02  0.00000000000000D+00
   1   2   1   2  0.32812806782438D+03  0.00000000000000D+00
   1   2   2   2  0.16406400578029D+03  0.00000000000000D+00
   1   2   3   2  0.16406401132459D+03  0.00000000000000D+00
   2   2   1   1 -0.17355415138592D+02  0.00000000000000D+00
   2   2   2   1 -0.34710828602161D+02  0.00000000000000D+00
   2   2   3   1 -0.17355415660999D+02  0.00000000000000D+00
   2   2   1   2  0.16406403695799D+03  0.00000000000000D+00
   2   2   2   2  0.32812805278543D+03  0.00000000000000D+00
   2   2   3   2  0.16406402575382D+03  0.00000000000000D+00
   3   2   1   1 -0.17355417559216D+02  0.00000000000000D+00
   3   2   2   1 -0.17355417272134D+02  0.00000000000000D+00
   3   2   3   1 -0.34710828380436D+02  0.00000000000000D+00
   3   2   1   2  0.16406401477505D+03  0.00000000000000D+00
   3   2   2   2  0.16406400010299D+03  0.00000000000000D+00
   3   2   3   2  0.32812805262885D+03  0.00000000000000D+00
