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17.2.8 Dump integrand values(DFTDUMP)

DFTDUMP,file,status

Write out values of the integrand at grid points to the file file. The first line of file contains the number of functional components; there then follows a line for each functional giving the input key of the functional. Subsequent lines give the functional number, cartesian coordinates, integrand value and integration weight with Fortran format (I2,3F15.10,F23.15).



molpro@molpro.net 2017-12-13