[Pw_forum] Hartree calculations for small molecules

[Seyed Javad Hashemifar]

Dear Giuseppe and Paolo
Thank you very much for your kind answers.
I will use the classroom codes of Paolo to provide some Hartree
calculations on Helium atom.
Kind regards
SJ Hashemifar
======================================
Seyed Javad  Hashemifar
Department of Physics, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel: +98 311 391 2375     Fax:+98 311 3912376
Email:  hashemifar at cc.iut.ac.ir
Group Homepage:      http://cmsgroup.iut.ac.ir
Personal Homepage:  http://hashemifar.iut.ac.ir
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On Wed, Feb 29, 2012 at 9:00 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> 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
>
>
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