I'm trying to do calculations with an external potential made up of
point charges using the keyword EFIELD. After a single point
calculation (which works), I want to calculate NMR shifts (with the NMR
I get the following error message:
Inconsistent nr. of ChargeTypes
Is it possible to do NMR calculations including an external potential?
Do I have to include some special keywords to make it work?
Received on 2003-05-21 09:45:22
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