
 **** 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  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.19394353456720D+01  0.00000000000000D+00
   1   1   2   1  0.39298636519677D+00  0.37781440838745D-09
   1   1   3   1  0.39298636431511D+00  0.52225837507978D-09
   1   1   1   2  0.41558707748915D-08  0.83485830824492D-05
   1   1   2   2  0.32091746827910D-08  0.37704716153817D-05
   1   1   3   2  0.21596352512185D-08  0.37713061530176D-05
   2   1   1   1  0.39298631726052D+00 -0.22499499995155D-09
   2   1   2   1  0.78597266378384D+00  0.00000000000000D+00
   2   1   3   1  0.39298632371437D+00 -0.35530082326067D-10
   2   1   1   2  0.10191367054059D-07  0.42095521176196D-06
   2   1   2   2  0.76372650977335D-08 -0.21782918567425D-06
   2   1   3   2  0.65937701501896D-08  0.28667656773045D-06
   3   1   1   1  0.39298631673683D+00 -0.10569319001201D-09
   3   1   2   1  0.39298632388013D+00 -0.90224046582065D-10
   3   1   3   1  0.78597266593458D+00  0.00000000000000D+00
   3   1   1   2  0.88030953635263D-09  0.41867617526646D-06
   3   1   2   2  0.40143019378256D-08  0.28610951489812D-06
   3   1   3   2  0.41103236218037D-08 -0.21992077963703D-06
   1   2   1   1 -0.10586350311363D-07 -0.52689918572980D-04
   1   2   2   1 -0.37585540117786D-08 -0.17689696340422D-04
   1   2   3   1  0.24439210088015D-08 -0.17688178741154D-04
   1   2   1   2  0.19924867601134D+03  0.00000000000000D+00
   1   2   2   2  0.48641800226920D+02  0.10117152166450D-08
   1   2   3   2  0.48641800216088D+02  0.21000076556290D-07
   2   2   1   1 -0.30020814021132D-08 -0.26725398652956D-04
   2   2   2   1  0.84691408226418D-08 -0.92129857726917D-05
   2   2   3   1  0.53580328160042D-09 -0.90080273557157D-05
   2   2   1   2  0.48641831068186D+02 -0.57328882145977D-08
   2   2   2   2  0.97278055509972D+02  0.00000000000000D+00
   2   2   3   2  0.48639968473001D+02 -0.47911375716831D-08
   3   2   1   1  0.87012258479640D-08 -0.26723600115640D-04
   3   2   2   1 -0.11639619239557D-09 -0.90065854338979D-05
   3   2   3   1  0.79142588499919D-08 -0.92102939784607D-05
   3   2   1   2  0.48641831055306D+02 -0.16427865294146D-07
   3   2   2   2  0.48639968460253D+02 -0.60638708419076D-08
   3   2   3   2  0.97278055722190D+02  0.00000000000000D+00
