[Pw_forum] question about vc-relax

[Lorenzo Paulatto]

On Fri, 02 Jan 2009 14:52:10 +0100, Bipul Rakshit <bipulrr at gmail.com> wrote:
> getting relaxed cell volume, CELL_PARAMETER AND relaxed atomic position
> ...  
> But this is not the case. The pressure changes to some other value  
> (-10.38 kbar).

Dear Bipul,
if you had not used ibrav=0 in the initial input file, reconstructiong input cell parameters from the output can be a bit tricky, please double check it. Otherwise provide more detail so we can take a more educated guess.

regards


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