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SICOEPThis 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. | |