[Pw_forum] Hartree calculations for small molecules

[Paolo Giannozzi]

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:
   http://www.fisica.uniud.it/~giannozz/Corsi/MQ/mq.html

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