[Pw_forum] Problem in Xspectra calculation

Paolo Giannozzi giannozz at democritos.it
Thu Aug 11 09:11:00 CEST 2011


On Aug 10, 2011, at 9:53 , Niharika Joshi wrote:

> wrong fft dimensions

> The Quantum espresso version that i am using is espresso 4.3

there is a known problem with XSpectra in  version 4.3:
http://www.democritos.it/pipermail/pw_forum/2011-April/020230.html
Update to the current version (4.3.2)

P.
--
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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