Up: Keywords for Modules Dscf
If the keyword $senex is found in the control file,
ridft performs a Hartree-Fock-
SCF calculation using the seminumerical approximation for HF-exchange.
Standard dft-grids can be used for the numerical integration.
Smaller grids (-1,0) and the corresponding m-grids (m1,m2) have been defined as well.
Grids of at least size m3 are recommended for heavy atoms.
The gridsize can be modified just like in dft-calculations.
The keyword $dsenex activates seminumerical gradient calculations.
An example using the default grid for SCF (m1) and grid 5 for gradients (default grid: 3) looks like this: