Specifying the electron-electron correlation function

The Jastrow function is specified using the CORRFUN JASTROW keywords:

CORRFUN JASTROW  a1 b1 a2 b2

For the SMBH function the parameters for each atom are read in from a file named corr.dat if the keywords CORRFUN SMBH is encountered in the input file. The corr.dat file defines the number of atomic centers to be read in, the inverse range of the electron-electron terms, $b_3$, then the coefficients for the {0,0,1},{0,0,2},{0,0,3},{0,0,4} terms, followed by the {1,0,0}, {2,0,0}, {3,0,0}, {4,0,0}, {2,2,0}, and {2,0,2} terms for each nuclei. The file corr.dat has the following format:

EXAMPLE:

Comment line 1
Comment line 2
number of nuclei                                          < comment line
     2
electron-electron inverse range                           < comment line
   1.0000000                                              < b_3
electron-electron coefficients                            < comment line
   0.5000000    -0.1518282     0.1787974     0.2740077    < 001,002,003,004
inverse range for nucleus 1                               < comment line
   1.0000000                                              < b_1 for nuc. 1
electron-nucleus coefficients                             < comment line
   0.8600000    -0.8610000     2.0936000    -3.2190000    < 100,200,300,400
electron-electron-nucleus coefficients                    < comment line
  -0.0820000     0.5607000                                < 220,202
inverse range for nucleus 2                               < comment line
   1.0000000                                              < b_1 for nuc. 2
electron-nucleus coefficients                             < comment line
   0.8600000    -0.8610000     2.0936000    -3.2190000    < 100,200,300,400
electron-electron-nucleus coefficients                    < comment line
  -0.0820000     0.5607000                                < 220,202
<EOF>