[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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