[Pw_forum] Hartree calculations for small molecules

[Seyed Javad Hashemifar]

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

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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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