[Pw_forum] problem with chdens with ibrav=0

Paolo Giannozzi giannozz at democritos.it
Thu May 31 22:05:39 CEST 2012

On May 30, 2012, at 12:10 , Guido Fratesi wrote:

> By removing the check the code produces the results expected,
> yet this is not *the* solution.

"the" solution is a little bit complex to implement; an approximate
solution is to remove the check if ibrav=0 (done in development
version). Thank you for reporting this

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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