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

  Note : temporary (transfer) database

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            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03  0.24414062500000D-03  0.24414062500000D-03
            0.24414062500000D-03
      xred  0.00000000000000D+00  0.00000000000000D+00  0.00000000000000D+00
     znucl  0.13000000000000D+02
      zion  0.30000000000000D+01
 
  Description of the PAW dataset(s)
  vrsio8 (for pseudopotentials)=100401
  usepaw =  1
  Atom type=   1 basis_size=  4   lmn_size=    8
    Basis functions= 0 0 1 1
    r_PAW=  1.904 shape_type=  2  r_shape=  1.608
    Dij0=     (only the  12 values different from zero)
       i    j     Dij0        i    j     Dij0        i    j     Dij0        i    j     Dij0
       1    1  2.57099E-01    1    2 -1.55838E+00    2    2  6.82212E+01    3    3  1.07586E-01
       4    4  1.07586E-01    5    5  1.07586E-01    3    6 -2.50027E+00    6    6  1.23021E+02
       4    7 -2.50027E+00    7    7  1.23021E+02    5    8 -2.50027E+00    8    8  1.23021E+02
 
 **** Database of total energy derivatives ****
 Number of data blocks=    1

 2nd derivatives (non-stat.)  - # elements :       9
 qpt  2.50000000E-01  2.50000000E-01  0.00000000E+00   1.0
   1   1   1   1  0.12671828631059D+01  0.19925616413341D-16
   1   1   2   1  0.94627076697035D+00  0.26404063361115D-16
   1   1   3   1  0.32091209613557D+00 -0.12216492970424D-16
   2   1   1   1  0.94627076697035D+00  0.26404063361115D-16
   2   1   2   1  0.12671828631059D+01  0.10353703421942D-16
   2   1   3   1  0.32091209613557D+00 -0.46556049641567D-16
   3   1   1   1  0.32091209613557D+00 -0.12216492970424D-16
   3   1   2   1  0.32091209613557D+00 -0.46556049641567D-16
   3   1   3   1  0.64182419227112D+00 -0.28679483024204D-17
