Dear Colleagues Foe educational purpose, I am looking for some Hartree calculations on small molecules such as H2. Is it possible to do Hartree calculations with Quantum Espresso, If yes please explain some detail? Moreover, is there any published computational results on hydrogen molecule based on Hartree method.
Your kind answers are highly appreciated. S. Javad 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 --------------------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120229/01db203c/attachment.htm
