[Pw_forum] Why the energies are different when two molecules are calculated together and separate?

Nicola Marzari marzari at MIT.EDU
Wed Apr 12 20:31:41 CEST 2006


you make an excellent point, but then it should be seen in
Gaussian as well.

OK, enough mails for today.


Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

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