[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


Nichols,

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

OK, enough mails for today.

			nicola


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Prof Nicola Marzari   Department of Materials Science and Engineering
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