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

  Note : temporary (transfer) database

    usepaw         1
     natom         1
      nkpt       145
    nsppol         1
      nsym        48
    ntypat         1
    occopt         3
     nband         4
     acell  0.75251269285069D+01  0.75251269285069D+01  0.75251269285069D+01
       amu  0.26981539000000D+02
   dilatmx  0.11500000000000D+01
      ecut  0.20000000000000D+02
 pawecutdg  0.20000000000000D+02
    ecutsm  0.50000000000000D+00
     intxc         0
      iscf        17
       ixc         7
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           -0.31250000000000D+00  0.50000000000000D+00  0.18750000000000D+00
           -0.25000000000000D+00  0.50000000000000D+00  0.25000000000000D+00
    kptnrm  0.10000000000000D+01
     ngfft        27   27   27
    nspden         1
   nspinor         1
       occ  0.20000000000000D+01  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
    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
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                   0   -1    1    0   -1    0    1   -1    0
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                   1    0    0    1    0   -1    1   -1    0
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    tolwfr  0.10000000000000D+01
   tphysel  0.00000000000000D+00
    tsmear  0.10000000000000D-02
     typat         1
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            0.11718750000000D-01  0.58593750000000D-02  0.58593750000000D-02
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.58593750000000D-02  0.58593750000000D-02  0.11718750000000D-01
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.58593750000000D-02  0.58593750000000D-02  0.11718750000000D-01
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.11718750000000D-01  0.58593750000000D-02  0.58593750000000D-02
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.58593750000000D-02  0.58593750000000D-02  0.11718750000000D-01
            0.58593750000000D-02  0.29296875000000D-02  0.58593750000000D-02
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.58593750000000D-02  0.58593750000000D-02  0.11718750000000D-01
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.11718750000000D-01  0.58593750000000D-02  0.58593750000000D-02
            0.11718750000000D-01  0.11718750000000D-01  0.11718750000000D-01
            0.58593750000000D-02  0.58593750000000D-02  0.11718750000000D-01
            0.58593750000000D-02  0.29296875000000D-02  0.58593750000000D-02
            0.11718750000000D-01  0.58593750000000D-02  0.58593750000000D-02
            0.11718750000000D-01  0.58593750000000D-02  0.29296875000000D-02
            0.14648437500000D-02
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
     znucl  0.13000000000000D+02
      zion  0.30000000000000D+01
 
 No information on the potentials yet 
 
 **** Database of total energy derivatives ****
 Number of data blocks=    2
  
 Total energy                 - # elements :       1
 -0.21308505529193D+01  0.00000000000000D+00
  
 1st derivatives              - # elements :       9
   1   1  0.00000000000000D+00  0.00000000000000D+00
   2   1  0.00000000000000D+00  0.00000000000000D+00
   3   1  0.00000000000000D+00  0.00000000000000D+00
   1   4  0.93915229157707D-07  0.00000000000000D+00
   2   4  0.93915229156839D-07  0.00000000000000D+00
   3   4  0.93915229157056D-07  0.00000000000000D+00
   1   5  0.00000000000000D+00  0.00000000000000D+00
   2   5  0.00000000000000D+00  0.00000000000000D+00
   3   5  0.00000000000000D+00  0.00000000000000D+00
