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

 AlAs phonons on 4 4 4 mesh                                                                                                                                                                                                                                              

    usepaw         0
     natom         2
      nkpt       256
    nsppol         1
      nsym        24
    ntypat         2
    occopt         1
     nband         4
     acell  0.10610000000000D+02  0.10610000000000D+02  0.10610000000000D+02
       amu  0.26981539000000D+02  0.74921590000000D+02
   dilatmx  0.10000000000000D+01
      ecut  0.30000000000000D+01
    ecutsm  0.00000000000000D+00
     intxc         0
      iscf         5
       ixc         1
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    kptnrm  0.10000000000000D+01
     ngfft        12   12   12
    nspden         1
   nspinor         1
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                  -1    0    1   -1    1    0   -1    0    0
                   0   -1    0    1   -1    0    0   -1    1
                   1    0   -1    0    0   -1    0    1   -1
                   0    1    0    0    0    1    1    0    0
                   1    0   -1    0    1   -1    0    0   -1
                   0   -1    0    0   -1    1    1   -1    0
                  -1    0    1   -1    0    0   -1    1    0
                   0    1    0    1    0    0    0    0    1
                   0    0   -1    0    1   -1    1    0   -1
                   1   -1    0    0   -1    1    0   -1    0
                   0    0    1    1    0    0    0    1    0
                  -1    1    0   -1    0    0   -1    0    1
                   0    0    1    0    1    0    1    0    0
                   1   -1    0    0   -1    0    0   -1    1
                   0    0   -1    1    0   -1    0    1   -1
                  -1    1    0   -1    0    1   -1    0    0
     tnons  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.40000000000000D-01
     typat         1    2
       wtk  0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02  0.39062500000000D-02  0.39062500000000D-02
            0.39062500000000D-02
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
            0.25000000000000D+00  0.25000000000000D+00  0.25000000000000D+00
     znucl  0.13000000000000D+02  0.33000000000000D+02
      zion  0.30000000000000D+01  0.50000000000000D+01
 
  Description of the potentials (KB energies)
  vrsio8 (for pseudopotentials)=100401
  usepaw =  0
  dimekb =  3       lmnmax=  3
  Atom type=    1   pspso=  0   nekb=   2
  iln lpsang iproj  ekb(:)
     1     0     1     1.7687444E+00  0.0000000E+00
     2     1     1     0.0000000E+00  9.0055415E-01
  Atom type=    2   pspso=  0   nekb=   1
  iln lpsang iproj  ekb(:)
     1     0     1     8.3875106E-01
 
 **** Database of total energy derivatives ****
 Number of data blocks=    8
  
 2nd derivatives (non-stat.)  - # elements :      81
 qpt  0.00000000E+00  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.50078591836110D+01  0.00000000000000D+00
   2   1   1   1  0.25039295959813D+01  0.00000000000000D+00
   3   1   1   1  0.25039295959813D+01  0.00000000000000D+00
   1   2   1   1 -0.50077765401294D+01  0.73319347970208D-18
   2   2   1   1 -0.25038883549924D+01 -0.22662441458424D-17
   3   2   1   1 -0.25038883549924D+01 -0.32760426586439D-17
   1   4   1   1 -0.56274744675046D+01  0.00000000000000D+00
   2   4   1   1 -0.10983982612345D-07  0.00000000000000D+00
   3   4   1   1 -0.10983982612345D-07  0.00000000000000D+00
   1   1   2   1  0.25039295959813D+01  0.00000000000000D+00
   2   1   2   1  0.50078591836110D+01  0.00000000000000D+00
   3   1   2   1  0.25039295876297D+01  0.00000000000000D+00
   1   2   2   1 -0.25038954014227D+01 -0.22662441458424D-17
   2   2   2   1 -0.50077765401294D+01  0.28893229789905D-17
   3   2   2   1 -0.25038811387066D+01 -0.21964918420478D-17
   1   4   2   1 -0.19090001298494D-07  0.00000000000000D+00
   2   4   2   1 -0.56274745087260D+01  0.00000000000000D+00
   3   4   2   1  0.19090001298494D-07  0.00000000000000D+00
   1   1   3   1  0.25039295959813D+01  0.00000000000000D+00
   2   1   3   1  0.25039295876297D+01  0.00000000000000D+00
   3   1   3   1  0.50078591752594D+01  0.00000000000000D+00
   1   2   3   1 -0.25038954014227D+01 -0.32760426586439D-17
   2   2   3   1 -0.25038881851370D+01 -0.21964918420478D-17
   3   2   3   1 -0.50077693238437D+01 -0.72872500766219D-17
   1   4   3   1  0.41221391201421D-07  0.00000000000000D+00
   2   4   3   1 -0.41221391201421D-07  0.00000000000000D+00
   3   4   3   1 -0.56274744484146D+01  0.00000000000000D+00
   1   1   1   2 -0.50077908218085D+01 -0.73319347970208D-18
   2   1   1   2 -0.25038954014227D+01  0.22662441458424D-17
   3   1   1   2 -0.25038954014227D+01  0.32760426586439D-17
   1   2   1   2  0.50077787281259D+01  0.00000000000000D+00
   2   2   1   2  0.25038893477885D+01  0.00000000000000D+00
   3   2   1   2  0.25038893477884D+01  0.00000000000000D+00
   1   4   1   2 -0.44781700500764D+02  0.00000000000000D+00
   2   4   1   2  0.86415870015344D-08  0.00000000000000D+00
   3   4   1   2  0.86415870015344D-08  0.00000000000000D+00
   1   1   2   2 -0.25038883549924D+01  0.22662441458424D-17
   2   1   2   2 -0.50077908218085D+01 -0.28893229789905D-17
   3   1   2   2 -0.25039024668161D+01  0.21964918420478D-17
   1   2   2   2  0.25038893477885D+01  0.00000000000000D+00
   2   2   2   2  0.50077787281269D+01  0.00000000000000D+00
   3   2   2   2  0.25038893803379D+01  0.00000000000000D+00
   1   4   2   2  0.22733959867030D-06  0.00000000000000D+00
   2   4   2   2 -0.44781699985861D+02  0.00000000000000D+00
   3   4   2   2 -0.22733959867030D-06  0.00000000000000D+00
   1   1   3   2 -0.25038883549924D+01  0.32760426586439D-17
   2   1   3   2 -0.25038954203858D+01  0.21964918420478D-17
   3   1   3   2 -0.50077978872019D+01  0.72872500766219D-17
   1   2   3   2  0.25038893477884D+01  0.00000000000000D+00
   2   2   3   2  0.25038893803379D+01  0.00000000000000D+00
   3   2   3   2  0.50077787606759D+01  0.00000000000000D+00
   1   4   3   2 -0.51490265254361D-06  0.00000000000000D+00
   2   4   3   2  0.51490265254361D-06  0.00000000000000D+00
   3   4   3   2 -0.44781700728103D+02  0.00000000000000D+00
   1   1   1   4 -0.56274965115414D+01  0.00000000000000D+00
   2   1   1   4 -0.19090001298494D-07  0.00000000000000D+00
   3   1   1   4  0.41221391201421D-07  0.00000000000000D+00
   1   2   1   4 -0.44781668656326D+02  0.00000000000000D+00
   2   2   1   4  0.22733959867030D-06  0.00000000000000D+00
   3   2   1   4 -0.51490265254361D-06  0.00000000000000D+00
   1   4   1   4 -0.21900831719175D+03  0.00000000000000D+00
   2   4   1   4  0.73002772588953D+02  0.00000000000000D+00
   3   4   1   4  0.73002771986939D+02  0.00000000000000D+00
   1   1   2   4 -0.10983982612345D-07  0.00000000000000D+00
   2   1   2   4 -0.56274965527628D+01  0.00000000000000D+00
   3   1   2   4 -0.19253426689759D-07  0.00000000000000D+00
   1   2   2   4  0.86415870015344D-08  0.00000000000000D+00
   2   2   2   4 -0.44781668141424D+02  0.00000000000000D+00
   3   2   2   4  0.49761948076418D-06  0.00000000000000D+00
   1   4   2   4  0.73002772588953D+02  0.00000000000000D+00
   2   4   2   4 -0.21900831719175D+03  0.00000000000000D+00
   3   4   2   4  0.73002772615855D+02  0.00000000000000D+00
   1   1   3   4 -0.10983982612345D-07  0.00000000000000D+00
   2   1   3   4  0.19090001298494D-07  0.00000000000000D+00
   3   1   3   4 -0.56274964924514D+01  0.00000000000000D+00
   1   2   3   4  0.86415870015344D-08  0.00000000000000D+00
   2   2   3   4 -0.22733959867030D-06  0.00000000000000D+00
   3   2   3   4 -0.44781668883666D+02  0.00000000000000D+00
   1   4   3   4  0.73002771986939D+02  0.00000000000000D+00
   2   4   3   4  0.73002772615855D+02  0.00000000000000D+00
   3   4   3   4 -0.21900831719175D+03  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  0.60199143877123D+01 -0.46347282336361D-16
   2   1   1   1  0.24130386290785D+01  0.29983654044596D-06
   3   1   1   1  0.24130386290785D+01  0.29983654137790D-06
   1   2   1   1 -0.32844866969726D+01 -0.23483067899731D+01
   2   2   1   1 -0.22820152543410D+01 -0.16845213737303D+00
   3   2   1   1 -0.22820152543410D+01 -0.16845213737303D+00
   1   1   2   1  0.24130453528161D+01 -0.15089449076745D-05
   2   1   2   1  0.48260771656308D+01  0.11386184578630D-16
   3   1   2   1  0.24130389282304D+01  0.20644356040866D-06
   1   2   2   1 -0.22820025292118D+01 -0.16845627326163D+00
   2   2   2   1 -0.45640381938845D+01 -0.33690511880364D+00
   3   2   2   1 -0.22820182450548D+01 -0.16845212789385D+00
   1   1   3   1  0.24130386290785D+01 -0.29983654131282D-06
   2   1   3   1  0.24130389282304D+01 -0.20644356041778D-06
   3   1   3   1  0.48260771656308D+01 -0.16158839132251D-17
   1   2   3   1 -0.22820156601459D+01 -0.16845250423525D+00
   2   2   3   1 -0.22820177921515D+01 -0.16845403628328D+00
   3   2   3   1 -0.45640381938845D+01 -0.33690511880364D+00
   1   1   1   2 -0.32844874904195D+01  0.23483075890395D+01
   2   1   1   2 -0.22820156601460D+01  0.16845250423525D+00
   3   1   1   2 -0.22820156601459D+01  0.16845250423525D+00
   1   2   1   2  0.59965350754053D+01 -0.12874245093434D-15
   2   2   1   2  0.25317729168193D+01 -0.63503507885837D-06
   3   2   1   2  0.25317729168193D+01 -0.63503507859625D-06
   1   1   2   2 -0.22820209775684D+01  0.16845033375204D+00
   2   1   2   2 -0.45640373172579D+01  0.33690881930143D+00
   3   1   2   2 -0.22820177921515D+01  0.16845403628328D+00
   1   2   2   2  0.25317602026396D+01 -0.56846015167117D-05
   2   2   2   2  0.50635527935058D+01  0.31628290496195D-16
   3   2   2   2  0.25317742024951D+01  0.41820056571072D-07
   1   1   3   2 -0.22820152543410D+01  0.16845213737303D+00
   2   1   3   2 -0.22820182450548D+01  0.16845212789385D+00
   3   1   3   2 -0.45640373172579D+01  0.33690881930143D+00
   1   2   3   2  0.25317729168193D+01  0.63503507877702D-06
   2   2   3   2  0.25317742024951D+01 -0.41820056596408D-07
   3   2   3   2  0.50635527935059D+01 -0.44885664256253D-17
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  0.00000000E+00  0.00000000E+00   1.0
   1   1   1   1  0.63142155078246D+01  0.00000000000000D+00
   2   1   1   1  0.24061221412705D+01 -0.43218000229451D-05
   3   1   1   1  0.24061221412705D+01 -0.43218000228492D-05
   1   2   1   1 -0.84323306470928D+00 -0.10684702595122D-04
   2   2   1   1 -0.22069847626537D+01  0.57632210370648D-05
   3   2   1   1 -0.22069847626537D+01  0.57632210371092D-05
   1   1   2   1  0.24061227906061D+01 -0.17139464536053D-04
   2   1   2   1  0.48122563554095D+01  0.00000000000000D+00
   3   1   2   1  0.24061288627724D+01 -0.32953143903271D-05
   1   2   2   1 -0.22069778873958D+01 -0.11419693747501D-04
   2   2   2   1 -0.44140136889196D+01  0.61018915663624D-07
   3   2   2   1 -0.22070053312260D+01  0.28644075371923D-06
   1   1   3   1  0.24061221412705D+01  0.43218000228492D-05
   2   1   3   1  0.24061288627724D+01  0.32953143903271D-05
   3   1   3   1  0.48122563554095D+01  0.00000000000000D+00
   1   2   3   1 -0.22070257203592D+01  0.97512074490936D-05
   2   2   3   1 -0.22070318866947D+01  0.84867339445915D-05
   3   2   3   1 -0.44140136889196D+01  0.61018915660447D-07
   1   1   1   2 -0.84319577009218D+00 -0.20610939737589D-04
   2   1   1   2 -0.22070257203592D+01 -0.97512074487220D-05
   3   1   1   2 -0.22070257203592D+01 -0.97512074490936D-05
   1   2   1   2  0.61714396618447D+01  0.00000000000000D+00
   2   2   1   2  0.25268181198803D+01 -0.39161696640732D-05
   3   2   1   2  0.25268181198802D+01 -0.39161696647463D-05
   1   1   2   2 -0.22070255775281D+01 -0.18946653658240D-04
   2   1   2   2 -0.44140773911268D+01 -0.91651255419676D-05
   3   1   2   2 -0.22070318866947D+01 -0.84867339445915D-05
   1   2   2   2  0.25268087094862D+01  0.15758757048278D-04
   2   2   2   2  0.50537669244880D+01  0.00000000000000D+00
   3   2   2   2  0.25268608775387D+01  0.35722723188654D-05
   1   1   3   2 -0.22069847626537D+01 -0.57632210371092D-05
   2   1   3   2 -0.22070053312260D+01 -0.28644075371923D-06
   3   1   3   2 -0.44140773911268D+01 -0.91651255419644D-05
   1   2   3   2  0.25268181198802D+01  0.39161696647463D-05
   2   2   3   2  0.25268608775387D+01 -0.35722723188654D-05
   3   2   3   2  0.50537669244882D+01  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  0.57575676828415D+01  0.15270870683956D-16
   2   1   1   1  0.35263998161306D+01 -0.36229666845812D-07
   3   1   1   1  0.22311687855100D+01  0.40517733300937D-07
   1   2   1   1 -0.27225658630159D+01 -0.27225654414176D+01
   2   2   1   1 -0.24163781886961D+01 -0.67322734003273D+00
   3   2   1   1 -0.20493358984815D+01 -0.30618473615026D+00
   1   1   2   1  0.35263998161306D+01  0.36229666909514D-07
   2   1   2   1  0.57575676828415D+01  0.16709080736064D-15
   3   1   2   1  0.22311678667109D+01  0.36229666982294D-07
   1   2   2   1 -0.24163758445516D+01 -0.67321355026442D+00
   2   2   2   1 -0.27225654414176D+01 -0.27225658630159D+01
   3   2   2   1 -0.20493523127515D+01 -0.30618959686598D+00
   1   1   3   1  0.22311687855100D+01 -0.40517733369328D-07
   2   1   3   1  0.22311678667109D+01 -0.36229666773032D-07
   3   1   3   1  0.44623357334218D+01 -0.26864573309349D-17
   1   2   3   1 -0.20493419832975D+01 -0.30618000271382D+00
   2   2   3   1 -0.20493385229831D+01 -0.30618725272148D+00
   3   2   3   1 -0.40986904141364D+01 -0.61237727118570D+00
   1   1   1   2 -0.27225580563909D+01  0.27225576347930D+01
   2   1   1   2 -0.24163758445516D+01  0.67321355026442D+00
   3   1   1   2 -0.20493419832975D+01  0.30618000271382D+00
   1   2   1   2  0.58482299844667D+01  0.42419085233211D-16
   2   2   1   2  0.32359516953506D+01 -0.34709626785953D-06
   3   2   1   2  0.26122707319036D+01 -0.86431287216927D-06
   1   1   2   2 -0.24163781886961D+01  0.67322734003273D+00
   2   1   2   2 -0.27225576347930D+01  0.27225580563909D+01
   3   1   2   2 -0.20493307163582D+01  0.30617944609684D+00
   1   2   2   2  0.32359516953506D+01  0.34709626803648D-06
   2   2   2   2  0.58482299844677D+01  0.46414113155733D-15
   3   2   2   2  0.26122782891167D+01  0.34709626827088D-06
   1   1   3   2 -0.20493358984815D+01  0.30618473615026D+00
   2   1   3   2 -0.20493445061265D+01  0.30618179024135D+00
   3   1   3   2 -0.40986748008868D+01  0.61236165793613D+00
   1   2   3   2  0.26122707319036D+01  0.86431287197930D-06
   2   2   3   2  0.26122782891167D+01 -0.34709626768960D-06
   3   2   3   2  0.52245565782335D+01 -0.74623814748192D-17
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.57623619819591D+01 -0.17745588925576D-16
   2   1   1   1  0.31339953662662D+01  0.31835100816347D+00
   3   1   1   1  0.22170229386239D+01 -0.11583443630426D-04
   1   2   1   1 -0.38909646935259D+00 -0.47570805028861D+00
   2   2   1   1 -0.20231953514880D+01 -0.31992519423425D+00
   3   2   1   1 -0.19750964859519D+01 -0.16327035937898D+00
   1   1   2   1  0.31340109958567D+01 -0.31840899641535D+00
   2   1   2   1  0.53044172074790D+01  0.12465495080948D-16
   3   1   2   1  0.22170283328169D+01 -0.14233044114922D-04
   1   2   2   1 -0.22788906734899D+01 -0.22840291849862D+00
   2   2   2   1 -0.23055249164723D+01 -0.21281734800400D+01
   3   2   2   1 -0.19751097353600D+01 -0.16327666431592D+00
   1   1   3   1  0.22170161222052D+01 -0.28408345080590D-04
   2   1   3   1  0.22170261522327D+01 -0.17618796503013D-04
   3   1   3   1  0.44340616670436D+01 -0.20141033150851D-17
   1   2   3   1 -0.19751132056156D+01 -0.16328384349728D+00
   2   2   3   1 -0.19751141545199D+01 -0.16328371028780D+00
   3   2   3   1 -0.39502165357538D+01 -0.32656593866642D+00
   1   1   1   2 -0.38910778982757D+00  0.47559516551699D+00
   2   1   1   2 -0.22789398351105D+01  0.22834465742435D+00
   3   1   1   2 -0.19751506332406D+01  0.16320835426710D+00
   1   2   1   2  0.61417074153938D+01 -0.49293302571043D-16
   2   2   1   2  0.29856772367826D+01  0.31825068785216D+00
   3   2   1   2  0.26045341500792D+01  0.19036782593463D-04
   1   1   2   2 -0.20232500737205D+01  0.31985511653365D+00
   2   1   2   2 -0.23055422799608D+01  0.21281499324329D+01
   3   1   2   2 -0.19751565749018D+01  0.16321701401756D+00
   1   2   2   2  0.29856480731077D+01 -0.31822855724699D+00
   2   2   2   2  0.57324165404182D+01  0.34626375224857D-16
   3   2   2   2  0.26045766305674D+01  0.26416800981823D-04
   1   1   3   2 -0.19751387311393D+01  0.16319786737151D+00
   2   1   3   2 -0.19751483875302D+01  0.16321389577244D+00
   3   1   3   2 -0.39503116503897D+01  0.32644366049093D+00
   1   2   3   2  0.26045408590757D+01  0.37980897089912D-04
   2   2   3   2  0.26045765165963D+01  0.27063821238112D-04
   3   2   3   2  0.52091915128310D+01 -0.55947314307921D-17
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt -2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.52327650892278D+01  0.21340993941289D-16
   2   1   1   1  0.25084092735010D+01  0.41681325966921D+00
   3   1   1   1  0.23261189823702D+01 -0.21898121835329D-06
   1   2   1   1 -0.25646721807125D+01  0.18789488482826D+01
   2   2   1   1 -0.21091909741540D+01 -0.21542800069858D+00
   3   2   1   1 -0.20476745505256D+01 -0.17601864376510D-07
   1   1   2   1  0.25084092735010D+01 -0.41681325966921D+00
   2   1   2   1  0.52327650951436D+01 -0.70209775277177D-06
   3   1   2   1  0.23261195766036D+01  0.69754158340211D-06
   1   2   2   1 -0.21091943381999D+01  0.21542652898644D+00
   2   2   2   1 -0.25646751931883D+01 -0.18789494743231D+01
   3   2   2   1 -0.20476734525213D+01  0.18755208871624D-05
   1   1   3   1  0.23261197140689D+01 -0.48311653442804D-06
   2   1   3   1  0.23261195766036D+01 -0.69754158327493D-06
   3   1   3   1  0.46522387023549D+01  0.15634175469737D-17
   1   2   3   1 -0.20476732546329D+01 -0.76299173363885D-06
   2   2   3   1 -0.20476750853088D+01 -0.12766590588159D-05
   3   2   3   1 -0.40953508176343D+01 -0.15455306198594D-06
   1   1   1   2 -0.25646638545900D+01 -0.18789578868505D+01
   2   1   1   2 -0.21091943381999D+01 -0.21542652898644D+00
   3   1   1   2 -0.20476747974902D+01 -0.32017173920576D-07
   1   2   1   2  0.58037745404266D+01  0.59280538725804D-16
   2   2   1   2  0.26412936058329D+01  0.34415233257099D+00
   3   2   1   2  0.25458192869823D+01  0.42747483458578D-07
   1   1   2   2 -0.21091909741540D+01  0.21542800069858D+00
   2   1   2   2 -0.25646648188322D+01  0.18789564765663D+01
   3   1   2   2 -0.20476750853088D+01  0.12766590588159D-05
   1   2   2   2  0.26412936058329D+01 -0.34415233257099D+00
   2   2   2   2  0.58037699616430D+01 -0.71077754856971D-06
   3   2   2   2  0.25458081315797D+01  0.28746533867826D-06
   1   1   3   2 -0.20476722226831D+01 -0.16206954152444D-05
   2   1   3   2 -0.20476734525213D+01 -0.18755208871624D-05
   3   1   3   2 -0.40953479844155D+01 -0.24242842786621D-06
   1   2   3   2  0.25458213566231D+01 -0.75352503205483D-06
   2   2   3   2  0.25458081315797D+01 -0.28746533832497D-06
   3   2   3   2  0.50916360648221D+01  0.43428265193713D-17
  
 2nd derivatives (non-stat.)  - # elements :      36
 qpt  5.00000000E-01  5.00000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.61836565951128D+01  0.00000000000000D+00
   2   1   1   1  0.40598975991005D+01  0.12845437950707D-04
   3   1   1   1  0.21237421197742D+01  0.20405170400049D-04
   1   2   1   1 -0.14237549147799D-04  0.11794919515602D-04
   2   2   1   1 -0.19208535998743D+01  0.80040700346496D-05
   3   2   1   1 -0.19208461960612D+01  0.20156409958659D-04
   1   1   2   1  0.40598975991005D+01 -0.12845437950707D-04
   2   1   2   1  0.61836565951129D+01  0.00000000000000D+00
   3   1   2   1  0.21237589960123D+01  0.12845437950707D-04
   1   2   2   1 -0.19208911409969D+01  0.17512329431867D-04
   2   2   2   1  0.74926622120056D-14 -0.38044803205067D-15
   3   2   2   1 -0.19208911409969D+01  0.17512329433443D-04
   1   1   3   1  0.21237421197742D+01 -0.20405170400049D-04
   2   1   3   1  0.21237589960123D+01 -0.12845437950707D-04
   3   1   3   1  0.42475179920247D+01  0.00000000000000D+00
   1   2   3   1 -0.19208934191317D+01  0.16186622509993D-04
   2   2   3   1 -0.19208535998743D+01  0.80040700362252D-05
   3   2   3   1 -0.38417305033220D+01  0.13721479953350D-04
   1   1   1   2  0.77330341710621D-05 -0.29241009306656D-04
   2   1   1   2 -0.19208911409969D+01 -0.17512329431867D-04
   3   1   1   2 -0.19208934191317D+01 -0.16186622509993D-04
   1   2   1   2  0.59880577927565D+01  0.00000000000000D+00
   2   2   1   2  0.33389353772591D+01  0.29563201823551D-05
   3   2   1   2  0.26490356430574D+01 -0.57105022458285D-05
   1   1   2   2 -0.19208535998743D+01 -0.80040700346496D-05
   2   1   2   2  0.74926622120056D-14  0.38044803205067D-15
   3   1   2   2 -0.19208535998743D+01 -0.80040700362252D-05
   1   2   2   2  0.33389353772591D+01 -0.29563201823551D-05
   2   2   2   2  0.59880577927575D+01  0.00000000000000D+00
   3   2   2   2  0.26491224154980D+01  0.29563201823045D-05
   1   1   3   2 -0.19208461960612D+01 -0.20156409958659D-04
   2   1   3   2 -0.19208911409969D+01 -0.17512329433443D-04
   3   1   3   2 -0.38417524739053D+01  0.37246098377036D-05
   1   2   3   2  0.26490356430574D+01  0.57105022458285D-05
   2   2   3   2  0.26491224154980D+01 -0.29563201823045D-05
   3   2   3   2  0.52982448309962D+01  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  0.48496703106445D+01 -0.68327796342839D-16
   2   1   1   1  0.27335277564200D+01  0.23411122037080D+00
   3   1   1   1  0.21161194891316D+01  0.23412270991784D+00
   1   2   1   1 -0.18114052870018D+01  0.18114083103918D+01
   2   2   1   1 -0.19223425772306D+01  0.87945725744548D-05
   3   2   1   1 -0.18114178304473D+01 -0.11091613187289D+00
   1   1   2   1  0.27335282650188D+01 -0.23410029054091D+00
   2   1   2   1  0.54670565635248D+01 -0.23163192147146D-16
   3   1   2   1  0.27335282181594D+01  0.23413205077535D+00
   1   2   2   1 -0.17004696064770D+01  0.89163851788896D-05
   2   2   2   1 -0.24129155395374D-06  0.17811862508637D-04
   3   2   2   1 -0.17004943690337D+01  0.87876659733516D-05
   1   1   3   1  0.21161194891316D+01 -0.23412270991784D+00
   2   1   3   1  0.27335282181594D+01 -0.23413205077535D+00
   3   1   3   1  0.48496708527304D+01 -0.10929829892321D-04
   1   2   3   1 -0.18114209511535D+01  0.11093028329414D+00
   2   2   3   1 -0.19223491393079D+01  0.92379848966655D-05
   3   2   3   1 -0.18114066554142D+01 -0.18114084112965D+01
   1   1   1   2 -0.18114258083217D+01 -0.18114402957471D+01
   2   1   1   2 -0.17004876488785D+01 -0.12101756219546D-04
   3   1   1   2 -0.18114209511535D+01 -0.11093028329414D+00
   1   2   1   2  0.58469211904537D+01 -0.18979943428566D-15
   2   2   1   2  0.30510752251909D+01  0.30320940423045D+00
   3   2   1   2  0.27957415958511D+01  0.30319888776942D+00
   1   1   2   2 -0.19223525533380D+01 -0.90610107048935D-05
   2   1   2   2  0.31927953988294D-06 -0.17987825840493D-04
   3   1   2   2 -0.19223491393079D+01 -0.92379848966655D-05
   1   2   2   2  0.30510645349613D+01 -0.30319201386313D+00
   2   2   2   2  0.61021303624274D+01 -0.64342200408738D-16
   3   2   2   2  0.30510633838592D+01  0.30317315319065D+00
   1   1   3   2 -0.18114178304473D+01  0.11091613187289D+00
   2   1   3   2 -0.17004943690337D+01 -0.87876659733516D-05
   3   1   3   2 -0.18114147131743D+01  0.18114371208060D+01
   1   2   3   2  0.27957415958511D+01 -0.30319888776942D+00
   2   2   3   2  0.30510633838592D+01 -0.30317315319065D+00
   3   2   3   2  0.58469117927292D+01 -0.17390367319156D-04

 List of bloks and their characteristics 
  
 2nd derivatives (non-stat.)  - # elements :      81
 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
