[Pw_forum] vc-relax applied to my 60 atom supercell

Paolo Giannozzi giannozz at democritos.it
Sat Aug 14 12:26:23 CEST 2010

On Aug 2, 2010, at 15:47 , Elie Moujaes wrote:

> The next calculation started but it stopped at iteration #4. What  
> does that mean?

it depends. Why did it stop? if it stopped for no apparent reason, it  
may have
simply exceeded the maximum amount of time:

>      total cpu time spent up to now is 846460.78 secs

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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