
 **** 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  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.10210591452542D+01  0.12756840409488D-17
   1   1   2   1  0.20795550526012D+00 -0.13047771077586D-08
   1   1   3   1  0.33364560276703D+00 -0.15309089303048D-08
   1   1   1   2  0.14238856106980D+00  0.21097630085944D-07
   1   1   2   2  0.16476097802156D+00 -0.52257586745300D-08
   1   1   3   2  0.14367766167516D+00  0.18435822537650D-07
   2   1   1   1  0.20795550567168D+00 -0.28889331572702D-09
   2   1   2   1  0.10210591455309D+01  0.59678805663032D-17
   2   1   3   1  0.33364560213251D+00 -0.19150299494445D-10
   2   1   1   2  0.16476097970183D+00  0.80238117702233D-08
   2   1   2   2  0.14238855007447D+00 -0.53666670491693D-08
   2   1   3   2  0.14367765918773D+00 -0.11610416301540D-07
   3   1   1   1  0.33364560274096D+00  0.51256175274262D-09
   3   1   2   1  0.33364560289579D+00  0.42902715496209D-09
   3   1   3   1  0.66729120474727D+00 -0.77518461805101D-18
   3   1   1   2  0.14367766311745D+00  0.28754794222568D-07
   3   1   2   2  0.14367765810169D+00 -0.11916683455259D-07
   3   1   3   2  0.28735532026849D+00  0.95627694703476D-08
   1   2   1   1 -0.41371263093963D+01  0.92002564785334D-08
   1   2   2   1  0.11013028624903D+01  0.13211335680595D-07
   1   2   3   1 -0.24923089565370D+01  0.16428345336163D-07
   1   2   1   2  0.16692672224216D+03  0.62508518006490D-16
   1   2   2   2  0.54450513298126D+02 -0.17301129436432D-07
   1   2   3   2  0.52287480458157D+02  0.21524874865004D-06
   2   2   1   1  0.11013028818943D+01 -0.42543375753918D-09
   2   2   2   1 -0.41371262861546D+01  0.41216477365537D-08
   2   2   3   1 -0.24923089456442D+01 -0.12109880362214D-07
   2   2   1   2  0.54450513184203D+02 -0.13584541232129D-07
   2   2   2   2  0.16692672217540D+03  0.29242614774886D-15
   2   2   3   2  0.52287480365958D+02 -0.31680848198695D-06
   3   2   1   1 -0.24923089544501D+01  0.14362310398503D-07
   3   2   2   1 -0.24923089557084D+01  0.11726488422043D-08
   3   2   3   1 -0.49846179039232D+01  0.76152061409092D-08
   3   2   1   2  0.52287480437067D+02  0.20792489514719D-06
   3   2   2   2  0.52287480443012D+02 -0.84889244646314D-07
   3   2   3   2  0.10457496074741D+03 -0.37984046284500D-16
