
 **** 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  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.12111518573468D+01 -0.53726577017929D-17
   1   1   2   1  0.28960770603778D+00 -0.11231954866948D-10
   1   1   3   1  0.28960770508764D+00  0.55251307342503D-09
   1   1   1   2 -0.48691611367964D+00  0.48691613297429D+00
   1   1   2   2 -0.17650285542133D+00  0.17650285927809D+00
   1   1   3   2 -0.17650285971732D+00  0.17650285621694D+00
   2   1   1   1  0.28960770583055D+00  0.26623654075874D-11
   2   1   2   1  0.57921541022570D+00 -0.73164295060928D-18
   2   1   3   1  0.28960770558453D+00  0.55302224466404D-10
   2   1   1   2 -0.17650285293465D+00  0.17650285319061D+00
   2   1   2   2 -0.35300570695768D+00  0.35300571931538D+00
   2   1   3   2 -0.17650285175982D+00  0.17650285861572D+00
   3   1   1   1  0.28960770447593D+00 -0.48187636942734D-09
   3   1   2   1  0.28960770570440D+00  0.40842380198237D-10
   3   1   3   1  0.57921541097422D+00  0.10462353450184D-17
   3   1   1   2 -0.17650286080449D+00  0.17650285730145D+00
   3   1   2   2 -0.17650285349942D+00  0.17650286592528D+00
   3   1   3   2 -0.35300571064345D+00  0.35300572238479D+00
   1   2   1   1 -0.16291154244234D+02 -0.16291154264083D+02
   1   2   2   1 -0.33469026053131D+01 -0.33469026260196D+01
   1   2   3   1 -0.33469026009296D+01 -0.33469026337446D+01
   1   2   1   2  0.17505759193674D+03 -0.26326022738785D-15
   1   2   2   2  0.41899106124560D+02 -0.93203455452942D-08
   1   2   3   2  0.41899106233432D+02 -0.14290455734938D-06
   2   2   1   1 -0.33469026084678D+01 -0.33469026294910D+01
   2   2   2   1 -0.66938052060354D+01 -0.66938052511304D+01
   2   2   3   1 -0.33469025991732D+01 -0.33469026238006D+01
   2   2   1   2  0.41899106153507D+02  0.36146495955953D-07
   2   2   2   2  0.83798212319450D+02 -0.35850504579855D-16
   2   2   3   2  0.41899106223707D+02  0.12043415288380D-06
   3   2   1   1 -0.33469025974069D+01 -0.33469026280254D+01
   3   2   2   1 -0.33469026027750D+01 -0.33469026244761D+01
   3   2   3   1 -0.66938052135299D+01 -0.66938052563005D+01
   3   2   1   2  0.41899106251026D+02 -0.10418049991345D-06
   3   2   2   2  0.41899106193471D+02  0.32905222331038D-07
   3   2   3   2  0.83798212428139D+02  0.51265531905903D-16
