SICOEP

This option [10] is not yet available. It will become available in the future.

Additionally, the program will accept an (experimental) block key:

SICOEP

The only meaningful subkey at this time is:

SICOEP
  READV file-with-OEP-potential
END

However, at present (adf2004.01) one should not use this subkey, but instead use SAVE TAPE10 in the adf calculation, and use TAPE10 as input for the NMR/EPR program. On TAPE10 the SCF potential is written, which is read in by the NMR/EPR program.

The maximum memory usage may be specified with MAXMEMORYUSAGE key, see ADF documentation for the description. Memory requirements of the NMR/EPR calculation can be reduced by decreasing numerical integration vector length (see VECTORLENGTH) in the preceding SCF calculation.