[Pw_forum] Hartree calculations for small molecules

Paolo Giannozzi giannozz at democritos.it
Wed Feb 29 18:30:41 CET 2012

On Wed, 2012-02-29 at 17:26 +0330, Seyed Javad Hashemifar wrote:

> For educational purpose, I am looking for some Hartree calculations 
> on small molecules such as H2.

not sure QE is the right tool for such a simple problem. Here some
simpler tools:

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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