
 **** 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  5.00000000E-01  2.50000000E-01   1.0
   1   1   1   1  0.84194554555595D+00 -0.72355024654594D-17
   1   1   2   1  0.41345637900220D+00 -0.41684903946842D-09
   1   1   3   1  0.42848923309634D+00 -0.41786292910526D-09
   1   1   1   2 -0.47843166079625D-08 -0.83923702793147D-01
   1   1   2   2 -0.19753306335800D-08 -0.83937585179179D-01
   1   1   3   2 -0.41868773883716D-08 -0.14667227958401D-04
   2   1   1   1  0.41345637908680D+00 -0.70554356410217D-09
   2   1   2   1  0.82691275641739D+00  0.40493821796668D-17
   2   1   3   1  0.41345637842388D+00 -0.10780277897882D-08
   2   1   1   2 -0.41913776924077D-08 -0.83909815596154D-01
   2   1   2   2  0.11814211297573D-08 -0.31033246186656D-08
   2   1   3   2  0.59673218465471D-09  0.83908248864416D-01
   3   1   1   1  0.42848925651726D+00 -0.77371183190802D-09
   3   1   2   1  0.41345637886591D+00  0.35064454156640D-09
   3   1   3   1  0.84194558572452D+00 -0.63870167254358D-17
   3   1   1   2 -0.35829708885048D-08  0.11001096723504D-04
   3   1   2   2  0.41099631605305D-08  0.83931812615972D-01
   3   1   3   2  0.33862251015716D-10  0.83920030834374D-01
   1   2   1   1  0.32886732688204D-08 -0.36959763277329D+00
   1   2   2   1 -0.83088435410034D-08 -0.36959306424115D+00
   1   2   3   1 -0.52663799801310D-08  0.58019482160236D-05
   1   2   1   2  0.15650427474824D+03 -0.35453962080751D-15
   1   2   2   2  0.94222307773804D+02 -0.14883310203659D-07
   1   2   3   2  0.62286008425847D+02 -0.22589429105423D-07
   2   2   1   1  0.43054601522747D-08 -0.36960219903871D+00
   2   2   2   1 -0.65472455608759D-08  0.40843190939991D-08
   2   2   3   1 -0.11001278026751D-08  0.36960466349090D+00
   2   2   1   2  0.94222307829962D+02  0.94297417200790D-07
   2   2   2   2  0.18844461569952D+03  0.19841972680367D-15
   2   2   3   2  0.94222307840051D+02  0.79071034519477D-07
   3   2   1   1  0.17322747445480D-08 -0.56278030358350D-05
   3   2   2   1 -0.82815578024030D-08  0.36959094314652D+00
   3   2   3   1 -0.93993216860070D-08  0.36959780423149D+00
   3   2   1   2  0.62286008679640D+02 -0.21073984082811D-07
   3   2   2   2  0.94222307828322D+02  0.49872499035758D-07
   3   2   3   2  0.15650427522616D+03 -0.31296381954636D-15
