[Pw_forum] cell_dofree = volume not yet implemented

Paolo Giannozzi giannozz at democritos.it
Mon Jan 12 09:04:03 CET 2009


lzh-ming wrote:

>       cell_dofree = volume not yet implemented  
> So, what's the problem?

the problem is, I think, that keeping the volume fixed
requires a slightly different algorithm from all other
cases. Unless somebody volunteers to implement it,
that case should not be mentioned in the documentation
(unfortunately it is)

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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