[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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