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by asp.gomes
19 Feb 2019, 23:53
Forum: Running Dalton
Topic: Frozen density embedding and TPA
Replies: 2
Views: 381

Re: Frozen density embedding and TPA

Hi, Strictly speaking, no. You should be able to use the keywords together (though I haven't tested it). If you do so, however, you should be aware that the current implementation will only contain contributions coming from the embedding potential, and lack any contributions from its derivatives. Fo...