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 ---------------------------------------------------------------------------
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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120302/1912aa69/attachment.htm
