[Pw_forum] QHA

2014-01-19 Thread Uri Argaman
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[Pw_forum] Interaction energies between molecules

2014-01-19 Thread Paolo Giannozzi
If you can assume that only two-body interactions between the various fragment pairs are relevant, what Stefano suggests is perfectly appropriate. If you cannot or do not want to make such assumption, you may choose a model and extract the parameters for your model by fitting it to a few (or many)

[Pw_forum] Interaction energies between molecules

2014-01-19 Thread Stefano de Gironcoli
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[Pw_forum] Interaction energies between molecules

2014-01-19 Thread Manuel Fernandes
gt; Thanking you in advance, > > Manuel Fernandes > > > > __ _ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140119/5561e872/attachment.html