[Pw_forum] Error in vc-relax

Paolo Giannozzi giannozz at nest.sns.it
Tue Sep 18 10:49:41 CEST 2007


On Sep 17, 2007, at 20:16 , Konstantin Kudin wrote:

> A fix would involve either making the code respect the input
> symmetry such that the cell changes do not alter it

this is something that the code is already supposed to do
(at least with the Wentzcovitch lagrangian)

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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