[Pw_forum] Hello, I have some problemof QE.

[Paolo Giannozzi]

On May 4, 2011, at 9:33 , yhho wrote:

>   nat =41,
>   nelup=6,
>   neldw=1,

41 atoms with 7 electrons in total?
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222