[Pw_forum] optimization of any structure

[Paolo Giannozzi]

On Jul 30, 2008, at 8:28 , sathya subramanyan wrote:
> I'm doing the vc-relax calculation but it has been running for more  
> than 36 hours.
>
>                forc_conv_thr = 1.0D-10
>
is this the threshold used to decide when the structure is optimized?
then it will take 36 days

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