
 **** 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  5.00000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.18897397193274D+01  0.00000000000000D+00
   1   1   2   1  0.89813632917184D+00 -0.12309297399625D-06
   1   1   3   1  0.99161539889085D+00  0.23951764300262D-06
   1   1   1   2 -0.15264549829584D+01  0.89154025299394D-06
   1   1   2   2 -0.32790298834936D+01  0.55593428920604D-06
   1   1   3   2  0.17525666457160D+01 -0.44700881309121D-06
   2   1   1   1  0.89813183483154D+00  0.14277612670725D-06
   2   1   2   1  0.18897414710859D+01  0.00000000000000D+00
   2   1   3   1  0.99161135604167D+00  0.20616732262391D-06
   2   1   1   2 -0.32790271011426D+01  0.23168369677884D-06
   2   1   2   2 -0.15264530196687D+01  0.24499054534197D-06
   2   1   3   2  0.17525671655316D+01 -0.49260662227602D-06
   3   1   1   1  0.99160332443395D+00  0.99556481701467D-07
   3   1   2   1  0.99160483890596D+00 -0.18191366428862D-06
   3   1   3   1  0.19832191212279D+01  0.00000000000000D+00
   3   1   1   2  0.17525805863938D+01 -0.14706869332107D-05
   3   1   2   2  0.17525791150386D+01 -0.13479088044245D-05
   3   1   3   2  0.35051448517359D+01  0.46005820347737D-07
   1   2   1   1  0.27578264270476D+01  0.19607975512897D-06
   1   2   2   1 -0.22684688082680D+00  0.22588873619876D-04
   1   2   3   1  0.29846600332848D+01  0.87442006776646D-05
   1   2   1   2  0.35441263869912D+03  0.00000000000000D+00
   1   2   2   2  0.19177815649027D+03 -0.12104935971049D-04
   1   2   3   2  0.16263428411711D+03 -0.61323109876399D-04
   2   2   1   1 -0.22684878792441D+00 -0.22354808813464D-04
   2   2   2   1  0.27578054934983D+01  0.60431475781612D-07
   2   2   3   1  0.29846483871664D+01 -0.12509868362564D-04
   2   2   1   2  0.19177814264619D+03 -0.69990581366014D-05
   2   2   2   2  0.35441237652276D+03  0.00000000000000D+00
   2   2   3   2  0.16263428617128D+03 -0.68730842745025D-04
   3   2   1   1  0.29846114261105D+01 -0.22997090992474D-04
   3   2   2   1  0.29845927182835D+01  0.21943061682289D-04
   3   2   3   1  0.59692804569366D+01 -0.58282369119456D-07
   3   2   1   2  0.16263431153629D+03  0.61115940379781D-04
   3   2   2   2  0.16263430021400D+03  0.70510798271216D-04
   3   2   3   2  0.32526871140173D+03  0.00000000000000D+00
