
 **** 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  5.00000000E-01  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.35441750978878D+01  0.00000000000000D+00
   1   1   2   1  0.12206147901376D+01  0.37565199470508D-07
   1   1   3   1  0.12206116047132D+01  0.59805202504691D-07
   1   1   1   2 -0.33764970078931D-06 -0.24639727810790D-06
   1   1   2   2 -0.13217488633276D-06  0.22860448557146D-06
   1   1   3   2 -0.85749789525492D-07  0.31194569616905D-06
   2   1   1   1  0.12206161457849D+01  0.53450341648092D-07
   2   1   2   1  0.24412334620153D+01  0.00000000000000D+00
   2   1   3   1  0.12206121870777D+01  0.56068587779532D-07
   2   1   1   2 -0.39386617471747D-06  0.67451659982041D-07
   2   1   2   2 -0.11688110475461D-05 -0.15179866039532D-06
   2   1   3   2 -0.19362437842254D-06  0.16037999748173D-06
   3   1   1   1  0.12206154099500D+01  0.16103751761344D-07
   3   1   2   1  0.12206068287057D+01 -0.39517639192618D-07
   3   1   3   1  0.24412177909257D+01  0.00000000000000D+00
   3   1   1   2 -0.54021979792848D-06 -0.78658478826422D-07
   3   1   2   2 -0.92670035242355D-07 -0.29420415243282D-07
   3   1   3   2 -0.13925723998966D-06  0.45484347853156D-07
   1   2   1   1 -0.35912087027105D-05 -0.22165870505517D-05
   1   2   2   1  0.38277523892933D-06  0.13409709608464D-06
   1   2   3   1  0.68280750771408D-06  0.11983514542694D-06
   1   2   1   2  0.36495256037655D+03  0.00000000000000D+00
   1   2   2   2  0.13362482853243D+03  0.61064372114883D-06
   1   2   3   2  0.13362482086632D+03 -0.41774056895594D-05
   2   2   1   1 -0.10763340730928D-05  0.90602093460125D-07
   2   2   2   1 -0.33040850926630D-06 -0.59499539693802D-07
   2   2   3   1 -0.45513346120721D-06  0.34155139455347D-06
   2   2   1   2  0.13362484149452D+03  0.12129691113164D-05
   2   2   2   2  0.26724966290129D+03  0.00000000000000D+00
   2   2   3   2  0.13362481859302D+03 -0.42618930349079D-05
   3   2   1   1  0.13528129366496D-06  0.29346274198399D-06
   3   2   2   1  0.11260481135479D-06 -0.32672449429141D-07
   3   2   3   1 -0.33185984761498D-06  0.49647917767351D-06
   3   2   1   2  0.13362485739503D+03  0.26264689366057D-06
   3   2   2   2  0.13362482554600D+03  0.37712336449196D-05
   3   2   3   2  0.26724964447862D+03  0.00000000000000D+00
