[Pw_forum] Pseudopotential generation problem
Paolo Giannozzi
giannozz at democritos.it
Thu Oct 30 08:44:20 CET 2008
yumin qian wrote:
> config='[Kr] 4p6 5s2 '
> from el_config : error # 9
> wavefunction 4P found too many times
[Kr] = Kripton electron configuration. If you do not have a
periodic table, you find one in www.webelements.com
> 1 I do know how to generate pseudopotential properly and is there any
> detailed reference or examples about the usage of the code atomic ?
documentation and examples in atomic_doc/
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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