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Seminumeric HF-Exchange

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:
$senex
$dsenex
 gridsize 5


TURBOMOLE M