[Pw_forum] Fw: relax is too slow

Paolo Giannozzi giannozz at democritos.it
Fri Sep 12 11:27:44 CEST 2008


vega wrote:

> As far as I tested, the energy would be within 1% for large supercells, 
> but the coordinates of several atoms may differ 200%. 

doesn't make sense
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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