[Pw_forum] hybrid functional error

Paolo Giannozzi giannozz at democritos.it
Sat Dec 17 12:42:40 CET 2011


On Dec 17, 2011, at 12:40 , Paolo Giannozzi wrote:

> Please specify which version of QE you are using: there have been
> several minor changes to the HSE routines since the first release.

and also please specify if your calculation is spin-polarized or not.

P.
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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







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