
 **** DERIVATIVE DATABASE ****    
+DDB, Version number    100401

 Interpolated DDB using interatomic force constants

    usepaw         0
     natom         2
      nkpt        64
    nsppol         1
      nsym        48
    ntypat         1
    occopt         1
     nband         4
     acell  0.67034680500000D+01  0.67034680500000D+01  0.67034680500000D+01
       amu  0.12011000000000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.10000000000000D+02
    ecutsm  0.50000000000000D+00
     intxc         0
      iscf         7
       ixc         1
       kpt  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
           -0.25000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.25000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.25000000000000D+00  0.00000000000000D+00
           -0.25000000000000D+00  0.25000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
           -0.25000000000000D+00  0.50000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00 -0.25000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00 -0.25000000000000D+00  0.00000000000000D+00
            0.50000000000000D+00 -0.25000000000000D+00  0.00000000000000D+00
           -0.25000000000000D+00 -0.25000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.25000000000000D+00
            0.25000000000000D+00  0.00000000000000D+00  0.25000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.25000000000000D+00
           -0.25000000000000D+00  0.00000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.50000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
           -0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
            0.25000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
           -0.25000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00 -0.25000000000000D+00  0.25000000000000D+00
            0.25000000000000D+00 -0.25000000000000D+00  0.25000000000000D+00
            0.50000000000000D+00 -0.25000000000000D+00  0.25000000000000D+00
           -0.25000000000000D+00 -0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
            0.25000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
           -0.25000000000000D+00  0.00000000000000D+00  0.50000000000000D+00
            0.00000000000000D+00  0.25000000000000D+00  0.50000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.25000000000000D+00  0.50000000000000D+00
           -0.25000000000000D+00  0.25000000000000D+00  0.50000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.25000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
           -0.25000000000000D+00  0.50000000000000D+00  0.50000000000000D+00
            0.00000000000000D+00 -0.25000000000000D+00  0.50000000000000D+00
            0.25000000000000D+00 -0.25000000000000D+00  0.50000000000000D+00
            0.50000000000000D+00 -0.25000000000000D+00  0.50000000000000D+00
           -0.25000000000000D+00 -0.25000000000000D+00  0.50000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00 -0.25000000000000D+00
            0.25000000000000D+00  0.00000000000000D+00 -0.25000000000000D+00
            0.50000000000000D+00  0.00000000000000D+00 -0.25000000000000D+00
           -0.25000000000000D+00  0.00000000000000D+00 -0.25000000000000D+00
            0.00000000000000D+00  0.25000000000000D+00 -0.25000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00 -0.25000000000000D+00
            0.50000000000000D+00  0.25000000000000D+00 -0.25000000000000D+00
           -0.25000000000000D+00  0.25000000000000D+00 -0.25000000000000D+00
            0.00000000000000D+00  0.50000000000000D+00 -0.25000000000000D+00
            0.25000000000000D+00  0.50000000000000D+00 -0.25000000000000D+00
            0.50000000000000D+00  0.50000000000000D+00 -0.25000000000000D+00
           -0.25000000000000D+00  0.50000000000000D+00 -0.25000000000000D+00
            0.00000000000000D+00 -0.25000000000000D+00 -0.25000000000000D+00
            0.25000000000000D+00 -0.25000000000000D+00 -0.25000000000000D+00
            0.50000000000000D+00 -0.25000000000000D+00 -0.25000000000000D+00
           -0.25000000000000D+00 -0.25000000000000D+00 -0.25000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        15   15   15
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01  0.20000000000000D+01  0.20000000000000D+01
            0.20000000000000D+01
     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    1    1    1    1    1    1    1    1    1    1    1
                   1    1    1    1    1    1    1    1    1    1    1    1
                   1    1    1    1    1    1    1    1    1    1    1    1
                   1    1    1    1    1    1    1    1    1    1    1    1
    symrel         1    0    0    0    1    0    0    0    1
                  -1    0    0    0   -1    0    0    0   -1
                   0   -1    1    0   -1    0    1   -1    0
                   0    1   -1    0    1    0   -1    1    0
                  -1    0    0   -1    0    1   -1    1    0
                   1    0    0    1    0   -1    1   -1    0
                   0    1   -1    1    0   -1    0    0   -1
                   0   -1    1   -1    0    1    0    0    1
                  -1    0    0   -1    1    0   -1    0    1
                   1    0    0    1   -1    0    1    0   -1
                   0   -1    1    1   -1    0    0   -1    0
                   0    1   -1   -1    1    0    0    1    0
                   1    0    0    0    0    1    0    1    0
                  -1    0    0    0    0   -1    0   -1    0
                   0    1   -1    0    0   -1    1    0   -1
                   0   -1    1    0    0    1   -1    0    1
                  -1    0    1   -1    1    0   -1    0    0
                   1    0   -1    1   -1    0    1    0    0
                   0   -1    0    1   -1    0    0   -1    1
                   0    1    0   -1    1    0    0    1   -1
                   1    0   -1    0    0   -1    0    1   -1
                  -1    0    1    0    0    1    0   -1    1
                   0    1    0    0    0    1    1    0    0
                   0   -1    0    0    0   -1   -1    0    0
                   1    0   -1    0    1   -1    0    0   -1
                  -1    0    1    0   -1    1    0    0    1
                   0   -1    0    0   -1    1    1   -1    0
                   0    1    0    0    1   -1   -1    1    0
                  -1    0    1   -1    0    0   -1    1    0
                   1    0   -1    1    0    0    1   -1    0
                   0    1    0    1    0    0    0    0    1
                   0   -1    0   -1    0    0    0    0   -1
                   0    0   -1    0    1   -1    1    0   -1
                   0    0    1    0   -1    1   -1    0    1
                   1   -1    0    0   -1    1    0   -1    0
                  -1    1    0    0    1   -1    0    1    0
                   0    0    1    1    0    0    0    1    0
                   0    0   -1   -1    0    0    0   -1    0
                  -1    1    0   -1    0    0   -1    0    1
                   1   -1    0    1    0    0    1    0   -1
                   0    0    1    0    1    0    1    0    0
                   0    0   -1    0   -1    0   -1    0    0
                   1   -1    0    0   -1    0    0   -1    1
                  -1    1    0    0    1    0    0    1   -1
                   0    0   -1    1    0   -1    0    1   -1
                   0    0    1   -1    0    1    0   -1    1
                  -1    1    0   -1    0    1   -1    0    0
                   1   -1    0    1    0   -1    1    0    0
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.10000000000000D-01
     typat         1    1
       wtk  0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01  0.15625000000000D-01  0.15625000000000D-01
            0.15625000000000D-01
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
     znucl  0.60000000000000D+01
      zion  0.40000000000000D+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     4.9214663E+00
 
 **** Database of total energy derivatives ****
 Number of data blocks=    8
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  0.00000000E+00  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.14433122771385D+02  0.00000000000000D+00
   2   1   1   1  0.72165613856925D+01  0.00000000000000D+00
   3   1   1   1  0.72165613856925D+01  0.00000000000000D+00
   1   2   1   1 -0.14432774953066D+02  0.00000000000000D+00
   2   2   1   1 -0.72163874765331D+01  0.00000000000000D+00
   3   2   1   1 -0.72163874765331D+01  0.00000000000000D+00
   1   1   2   1  0.72165613856925D+01  0.00000000000000D+00
   2   1   2   1  0.14433122771385D+02  0.00000000000000D+00
   3   1   2   1  0.72165613856925D+01  0.00000000000000D+00
   1   2   2   1 -0.72163874765331D+01  0.00000000000000D+00
   2   2   2   1 -0.14432774953066D+02  0.00000000000000D+00
   3   2   2   1 -0.72163874765331D+01  0.00000000000000D+00
   1   1   3   1  0.72165613856925D+01  0.00000000000000D+00
   2   1   3   1  0.72165613856925D+01  0.00000000000000D+00
   3   1   3   1  0.14433122771385D+02  0.00000000000000D+00
   1   2   3   1 -0.72163874765331D+01  0.00000000000000D+00
   2   2   3   1 -0.72163874765331D+01  0.00000000000000D+00
   3   2   3   1 -0.14432774953066D+02  0.00000000000000D+00
   1   1   1   2 -0.14432774953066D+02  0.00000000000000D+00
   2   1   1   2 -0.72163874765331D+01  0.00000000000000D+00
   3   1   1   2 -0.72163874765331D+01  0.00000000000000D+00
   1   2   1   2  0.14433122771385D+02  0.00000000000000D+00
   2   2   1   2  0.72165613856925D+01  0.00000000000000D+00
   3   2   1   2  0.72165613856925D+01  0.00000000000000D+00
   1   1   2   2 -0.72163874765331D+01  0.00000000000000D+00
   2   1   2   2 -0.14432774953066D+02  0.00000000000000D+00
   3   1   2   2 -0.72163874765331D+01  0.00000000000000D+00
   1   2   2   2  0.72165613856925D+01  0.00000000000000D+00
   2   2   2   2  0.14433122771385D+02  0.00000000000000D+00
   3   2   2   2  0.72165613856925D+01  0.00000000000000D+00
   1   1   3   2 -0.72163874765331D+01  0.00000000000000D+00
   2   1   3   2 -0.72163874765331D+01  0.00000000000000D+00
   3   1   3   2 -0.14432774953066D+02  0.00000000000000D+00
   1   2   3   2  0.72165613856925D+01  0.00000000000000D+00
   2   2   3   2  0.72165613856925D+01  0.00000000000000D+00
   3   2   3   2  0.14433122771385D+02  0.00000000000000D+00
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  2.50000000E-01  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.15946774443416D+02  0.33381495466392D-16
   2   1   1   1  0.71940051004139D+01  0.26434794426274D-16
   3   1   1   1  0.71940051004139D+01 -0.64509641375786D-16
   1   2   1   1 -0.90239809669945D+01 -0.57380353004508D+01
   2   2   1   1 -0.65823779942498D+01 -0.73917608804117D+00
   3   2   1   1 -0.65823779942498D+01 -0.73917608804117D+00
   1   1   2   1  0.71940051004139D+01  0.52418918941148D-16
   2   1   2   1  0.14388010200828D+02  0.59365619981267D-16
   3   1   2   1  0.71940051004139D+01 -0.12541392346038D-16
   1   2   2   1 -0.65823779942498D+01 -0.73917608804117D+00
   2   2   2   1 -0.13164755988500D+02 -0.14783521760823D+01
   3   2   2   1 -0.65823779942498D+01 -0.73917608804117D+00
   1   1   3   1  0.71940051004139D+01  0.13442732168837D-16
   2   1   3   1  0.71940051004139D+01  0.13442732168837D-16
   3   1   3   1  0.14388010200828D+02 -0.12090722434638D-16
   1   2   3   1 -0.65823779942498D+01 -0.73917608804117D+00
   2   2   3   1 -0.65823779942498D+01 -0.73917608804117D+00
   3   2   3   1 -0.13164755988500D+02 -0.14783521760823D+01
   1   1   1   2 -0.90239809669945D+01  0.57380353004508D+01
   2   1   1   2 -0.65823779942498D+01  0.73917608804117D+00
   3   1   1   2 -0.65823779942498D+01  0.73917608804117D+00
   1   2   1   2  0.15946774443416D+02  0.46373557723829D-16
   2   2   1   2  0.71940051004139D+01  0.52418918941148D-16
   3   2   1   2  0.71940051004139D+01 -0.25533454603475D-16
   1   1   2   2 -0.65823779942498D+01  0.73917608804117D+00
   2   1   2   2 -0.13164755988500D+02  0.14783521760823D+01
   3   1   2   2 -0.65823779942498D+01  0.73917608804117D+00
   1   2   2   2  0.71940051004139D+01  0.65410981198585D-16
   2   2   2   2  0.14388010200828D+02  0.85349744496141D-16
   3   2   2   2  0.71940051004139D+01  0.26434794426274D-16
   1   1   3   2 -0.65823779942498D+01  0.73917608804117D+00
   2   1   3   2 -0.65823779942498D+01  0.73917608804117D+00
   3   1   3   2 -0.13164755988500D+02  0.14783521760823D+01
   1   2   3   2  0.71940051004139D+01  0.13442732168837D-16
   2   2   3   2  0.71940051004139D+01  0.13442732168837D-16
   3   2   3   2  0.14388010200828D+02 -0.12090722434638D-16
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.17461121752085D+02  0.00000000000000D+00
   2   1   1   1  0.71717966334541D+01  0.00000000000000D+00
   3   1   1   1  0.71717966334541D+01  0.00000000000000D+00
   1   2   1   1 -0.36151869809228D+01  0.15914991751607D-09
   2   2   1   1 -0.59483685119664D+01  0.15914991751607D-09
   3   2   1   1 -0.59483685119664D+01  0.15914991751607D-09
   1   1   2   1  0.71717966334541D+01  0.00000000000000D+00
   2   1   2   1  0.14343593266908D+02  0.00000000000000D+00
   3   1   2   1  0.71717966334541D+01  0.00000000000000D+00
   1   2   2   1 -0.59483685119664D+01  0.15914991751607D-09
   2   2   2   1 -0.11896737023933D+02  0.31829983503213D-09
   3   2   2   1 -0.59483685119664D+01  0.15914991751607D-09
   1   1   3   1  0.71717966334541D+01  0.00000000000000D+00
   2   1   3   1  0.71717966334541D+01  0.00000000000000D+00
   3   1   3   1  0.14343593266908D+02  0.00000000000000D+00
   1   2   3   1 -0.59483685119664D+01  0.15914991751607D-09
   2   2   3   1 -0.59483685119664D+01  0.15914991751607D-09
   3   2   3   1 -0.11896737023933D+02  0.31829983503213D-09
   1   1   1   2 -0.36151869809228D+01  0.15914991751607D-09
   2   1   1   2 -0.59483685119664D+01  0.15914991751606D-09
   3   1   1   2 -0.59483685119664D+01  0.15914991751606D-09
   1   2   1   2  0.17461121752085D+02  0.00000000000000D+00
   2   2   1   2  0.71717966334541D+01  0.00000000000000D+00
   3   2   1   2  0.71717966334541D+01  0.00000000000000D+00
   1   1   2   2 -0.59483685119664D+01  0.15914991751607D-09
   2   1   2   2 -0.11896737023933D+02  0.31829983503213D-09
   3   1   2   2 -0.59483685119664D+01  0.15914991751606D-09
   1   2   2   2  0.71717966334541D+01  0.00000000000000D+00
   2   2   2   2  0.14343593266908D+02  0.00000000000000D+00
   3   2   2   2  0.71717966334541D+01  0.00000000000000D+00
   1   1   3   2 -0.59483685119664D+01  0.15914991751607D-09
   2   1   3   2 -0.59483685119664D+01  0.15914991751607D-09
   3   1   3   2 -0.11896737023933D+02  0.31829983503213D-09
   1   2   3   2  0.71717966334541D+01  0.00000000000000D+00
   2   2   3   2  0.71717966334541D+01  0.00000000000000D+00
   3   2   3   2  0.14343593266908D+02  0.00000000000000D+00
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.15859815254281D+02 -0.19884706125744D-17
   2   1   1   1  0.86986559094125D+01  0.18493858079869D-16
   3   1   1   1  0.71611593448681D+01  0.18493858079869D-16
   1   2   1   1 -0.73962456518313D+01 -0.73962456518314D+01
   2   2   1   1 -0.58874184395316D+01 -0.15088272122998D+01
   3   2   1   1 -0.58874184395316D+01 -0.15088272122998D+01
   1   1   2   1  0.86986559094125D+01  0.18493858079869D-16
   2   1   2   1  0.15859815254281D+02  0.36987716159737D-16
   3   1   2   1  0.71611593448681D+01  0.18493858079869D-16
   1   2   2   1 -0.58874184395316D+01 -0.15088272122997D+01
   2   2   2   1 -0.73962456518313D+01 -0.73962456518313D+01
   3   2   2   1 -0.58874184395316D+01 -0.15088272122998D+01
   1   1   3   1  0.71611593448681D+01  0.18493858079869D-16
   2   1   3   1  0.71611593448681D+01  0.18493858079869D-16
   3   1   3   1  0.14322318689736D+02 -0.19884706125744D-17
   1   2   3   1 -0.58874184395316D+01 -0.15088272122998D+01
   2   2   3   1 -0.58874184395316D+01 -0.15088272122997D+01
   3   2   3   1 -0.11774836879063D+02 -0.30176544245995D+01
   1   1   1   2 -0.73962456518313D+01  0.73962456518313D+01
   2   1   1   2 -0.58874184395316D+01  0.15088272122997D+01
   3   1   1   2 -0.58874184395316D+01  0.15088272122997D+01
   1   2   1   2  0.15859815254281D+02 -0.19884706125744D-17
   2   2   1   2  0.86986559094125D+01  0.18493858079869D-16
   3   2   1   2  0.71611593448681D+01  0.18493858079869D-16
   1   1   2   2 -0.58874184395316D+01  0.15088272122997D+01
   2   1   2   2 -0.73962456518313D+01  0.73962456518313D+01
   3   1   2   2 -0.58874184395316D+01  0.15088272122997D+01
   1   2   2   2  0.86986559094125D+01  0.18493858079869D-16
   2   2   2   2  0.15859815254281D+02  0.36987716159737D-16
   3   2   2   2  0.71611593448681D+01  0.18493858079869D-16
   1   1   3   2 -0.58874184395316D+01  0.15088272122997D+01
   2   1   3   2 -0.58874184395316D+01  0.15088272122997D+01
   3   1   3   2 -0.11774836879063D+02  0.30176544245995D+01
   1   2   3   2  0.71611593448681D+01  0.18493858079869D-16
   2   2   3   2  0.71611593448681D+01  0.18493858079869D-16
   3   2   3   2  0.14322318689736D+02 -0.19884706125744D-17
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.17308866365589D+02  0.21255123625287D-17
   2   1   1   1  0.86437993437725D+01 -0.30900815827268D-16
   3   1   1   1  0.71063027792281D+01 -0.49170903376789D-16
   1   2   1   1 -0.18075934904614D+01 -0.16582103513806D+01
   2   2   1   1 -0.52229339210308D+01 -0.76965112425858D+00
   3   2   1   1 -0.52229339210308D+01 -0.76965112425858D+00
   1   1   2   1  0.86437993437725D+01  0.80753709450436D-17
   2   1   2   1  0.15750102123001D+02 -0.58738454656690D-16
   3   1   2   1  0.71063027792281D+01 -0.88553092094645D-16
   1   2   2   1 -0.52229339210308D+01 -0.76965112425858D+00
   2   2   2   1 -0.59483685119664D+01 -0.59178934757490D+01
   3   2   2   1 -0.52229339210308D+01 -0.76965112425858D+00
   1   1   3   1  0.71063027792281D+01  0.41773532425271D-16
   2   1   3   1  0.71063027792281D+01  0.23913437074149D-17
   3   1   3   1  0.14212605558456D+02 -0.33787497411937D-16
   1   2   3   1 -0.52229339210308D+01 -0.76965112425858D+00
   2   2   3   1 -0.52229339210308D+01 -0.76965112425858D+00
   3   2   3   1 -0.10445867842062D+02 -0.15393022485172D+01
   1   1   1   2 -0.18075934904614D+01  0.16582103513806D+01
   2   1   1   2 -0.52229339210308D+01  0.76965112425858D+00
   3   1   1   2 -0.52229339210308D+01  0.76965112425858D+00
   1   2   1   2  0.17308866365589D+02  0.15117574619966D-16
   2   2   1   2  0.86437993437725D+01  0.34059495459918D-16
   3   2   1   2  0.71063027792281D+01  0.28781470167834D-16
   1   1   2   2 -0.52229339210308D+01  0.76965112425858D+00
   2   1   2   2 -0.59483685119664D+01  0.59178934757490D+01
   3   1   2   2 -0.52229339210308D+01  0.76965112425858D+00
   1   2   2   2  0.86437993437725D+01  0.21067433202481D-16
   2   2   2   2  0.15750102123001D+02  0.62218566304958D-17
   3   2   2   2  0.71063027792281D+01 -0.10600718550022D-16
   1   1   3   2 -0.52229339210308D+01  0.76965112425858D+00
   2   1   3   2 -0.52229339210308D+01  0.76965112425858D+00
   3   1   3   2 -0.10445867842062D+02  0.15393022485172D+01
   1   2   3   2  0.71063027792281D+01  0.41773532425271D-16
   2   2   3   2  0.71063027792281D+01  0.23913437074149D-17
   3   2   3   2  0.14212605558456D+02 -0.33787497411937D-16
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt -2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.15837061312136D+02  0.77952373544623D-16
   2   1   1   1  0.71391485347739D+01  0.19488093386156D-16
   3   1   1   1  0.71391485347739D+01  0.19488093386156D-16
   1   2   1   1 -0.75761038271296D+01  0.42596831243684D+01
   2   2   1   1 -0.59178934757490D+01  0.13726795610747D-15
   3   2   1   1 -0.59178934757490D+01  0.50938518480493D-15
   1   1   2   1  0.71391485347739D+01 -0.19488093386156D-16
   2   1   2   1  0.15837061312136D+02 -0.77952373544623D-16
   3   1   2   1  0.71391485347739D+01  0.19488093386156D-16
   1   2   2   1 -0.59178934757490D+01 -0.43741320365232D-15
   2   2   2   1 -0.75761038271296D+01 -0.42596831243684D+01
   3   2   2   1 -0.59178934757490D+01  0.50938518480493D-15
   1   1   3   1  0.71391485347739D+01 -0.19488093386156D-16
   2   1   3   1  0.71391485347739D+01 -0.19488093386156D-16
   3   1   3   1  0.14278297069548D+02  0.00000000000000D+00
   1   2   3   1 -0.59178934757490D+01  0.34638239118311D-15
   2   2   3   1 -0.59178934757490D+01  0.34638239118311D-15
   3   2   3   1 -0.11835786951498D+02  0.54981282982482D-15
   1   1   1   2 -0.75761038271296D+01 -0.42596831243684D+01
   2   1   1   2 -0.59178934757490D+01  0.11230276922901D-14
   3   1   1   2 -0.59178934757490D+01  0.37879323489520D-15
   1   2   1   2  0.15837061312136D+02  0.77952373544623D-16
   2   2   1   2  0.71391485347739D+01  0.58464280158467D-16
   3   2   1   2  0.71391485347739D+01  0.58464280158467D-16
   1   1   2   2 -0.59178934757490D+01  0.43741320365232D-15
   2   1   2   2 -0.75761038271296D+01  0.42596831243684D+01
   3   1   2   2 -0.59178934757490D+01  0.37879323489520D-15
   1   2   2   2  0.71391485347739D+01 -0.19488093386156D-16
   2   2   2   2  0.15837061312136D+02 -0.38976186772311D-16
   3   2   2   2  0.71391485347739D+01  0.58464280158467D-16
   1   1   3   2 -0.59178934757490D+01  0.51036790947366D-15
   2   1   3   2 -0.59178934757490D+01  0.51036790947366D-15
   3   1   3   2 -0.11835786951498D+02 -0.83550205225243D-16
   1   2   3   2  0.71391485347739D+01 -0.19488093386156D-16
   2   2   3   2  0.71391485347739D+01 -0.19488093386156D-16
   3   2   3   2  0.14278297069548D+02  0.00000000000000D+00
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  5.00000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.17157306615731D+02  0.00000000000000D+00
   2   1   1   1  0.10116149872410D+02  0.00000000000000D+00
   3   1   1   1  0.70411567433210D+01  0.00000000000000D+00
   1   2   1   1  0.56596179313620D-17  0.54379473306545D-25
   2   2   1   1 -0.44974993300953D+01 -0.89820268428223D-09
   3   2   1   1 -0.44974993300953D+01 -0.89820268428223D-09
   1   1   2   1  0.10116149872410D+02  0.00000000000000D+00
   2   1   2   1  0.17157306615731D+02  0.00000000000000D+00
   3   1   2   1  0.70411567433210D+01  0.00000000000000D+00
   1   2   2   1 -0.44974993300953D+01 -0.89820268428223D-09
   2   2   2   1  0.77631599083970D-16  0.54379473306545D-25
   3   2   2   1 -0.44974993300953D+01 -0.89820268428223D-09
   1   1   3   1  0.70411567433210D+01  0.00000000000000D+00
   2   1   3   1  0.70411567433210D+01  0.00000000000000D+00
   3   1   3   1  0.14082313486642D+02  0.00000000000000D+00
   1   2   3   1 -0.44974993300953D+01 -0.89820268428222D-09
   2   2   3   1 -0.44974993300953D+01 -0.89820268428222D-09
   3   2   3   1 -0.89949986601905D+01 -0.17964053685645D-08
   1   1   1   2  0.56596179313620D-17 -0.39119348862822D-25
   2   1   1   2 -0.44974993300953D+01 -0.89820268428222D-09
   3   1   1   2 -0.44974993300953D+01 -0.89820268428222D-09
   1   2   1   2  0.17157306615731D+02  0.00000000000000D+00
   2   2   1   2  0.10116149872410D+02  0.00000000000000D+00
   3   2   1   2  0.70411567433210D+01  0.00000000000000D+00
   1   1   2   2 -0.44974993300953D+01 -0.89820268428223D-09
   2   1   2   2  0.77631599083970D-16  0.54379473306545D-25
   3   1   2   2 -0.44974993300953D+01 -0.89820268428222D-09
   1   2   2   2  0.10116149872410D+02  0.00000000000000D+00
   2   2   2   2  0.17157306615731D+02  0.00000000000000D+00
   3   2   2   2  0.70411567433210D+01  0.00000000000000D+00
   1   1   3   2 -0.44974993300953D+01 -0.89820268428223D-09
   2   1   3   2 -0.44974993300953D+01 -0.89820268428222D-09
   3   1   3   2 -0.89949986601905D+01 -0.17964053685644D-08
   1   2   3   2  0.70411567433210D+01  0.00000000000000D+00
   2   2   3   2  0.70411567433210D+01  0.00000000000000D+00
   3   2   3   2  0.14082313486642D+02  0.00000000000000D+00
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt -2.50000000E-01  5.00000000E-01  2.50000000E-01   1.0
   1   1   1   1  0.15684410611909D+02  0.00000000000000D+00
   2   1   1   1  0.86109535882268D+01 -0.97440466930779D-17
   3   1   1   1  0.70734570236823D+01 -0.97440466930779D-17
   1   2   1   1 -0.43785912272318D+01  0.43785912272318D+01
   2   2   1   1 -0.43785912272318D+01  0.75288656689844D-15
   3   2   1   1 -0.43785912272318D+01  0.11250037955959D-14
   1   1   2   1  0.86109535882268D+01  0.29232140079233D-16
   2   1   2   1  0.17221907176454D+02  0.77952373544623D-16
   3   1   2   1  0.86109535882268D+01  0.29232140079234D-16
   1   2   2   1 -0.43785912272318D+01  0.54456457258396D-15
   2   2   2   1 -0.28128567836660D-15 -0.41989220725045D-15
   3   2   2   1 -0.43785912272318D+01  0.13760565570599D-14
   1   1   3   1  0.70734570236823D+01 -0.48720233465389D-16
   2   1   3   1  0.86109535882268D+01 -0.97440466930780D-17
   3   1   3   1  0.15684410611909D+02  0.19488093386156D-16
   1   2   3   1 -0.43785912272318D+01  0.11250037955959D-14
   2   2   3   1 -0.43785912272318D+01  0.23682537589577D-15
   3   2   3   1 -0.43785912272318D+01 -0.43785912272318D+01
   1   1   1   2 -0.43785912272318D+01 -0.43785912272318D+01
   2   1   1   2 -0.43785912272318D+01 -0.38076933820098D-15
   3   1   1   2 -0.43785912272318D+01 -0.14971210242933D-14
   1   2   1   2  0.15684410611909D+02 -0.38976186772311D-16
   2   2   1   2  0.86109535882268D+01 -0.97440466930779D-17
   3   2   1   2  0.70734570236823D+01 -0.48720233465389D-16
   1   1   2   2 -0.43785912272318D+01 -0.74208873867364D-15
   2   1   2   2 -0.29472356418457D-15  0.54290235758638D-15
   3   1   2   2 -0.43785912272318D+01 -0.16791412289913D-14
   1   2   2   2  0.86109535882268D+01 -0.97440466930780D-17
   2   2   2   2  0.17221907176454D+02  0.77952373544623D-16
   3   2   2   2  0.86109535882268D+01 -0.97440466930779D-17
   1   1   3   2 -0.43785912272318D+01 -0.11250037955959D-14
   2   1   3   2 -0.43785912272318D+01 -0.23682537589577D-15
   3   1   3   2 -0.43785912272318D+01  0.43785912272318D+01
   1   2   3   2  0.70734570236823D+01 -0.48720233465389D-16
   2   2   3   2  0.86109535882268D+01 -0.97440466930780D-17
   3   2   3   2  0.15684410611909D+02  0.19488093386156D-16

 List of bloks and their characteristics 
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  0.00000000E+00  0.00000000E+00  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  2.50000000E-01  0.00000000E+00  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  0.00000000E+00  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  2.50000000E-01  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt -2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  5.00000000E-01  0.00000000E+00   1.0
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt -2.50000000E-01  5.00000000E-01  2.50000000E-01   1.0
