[Pw_forum] 回复： Pw_forum Digest, Vol 12, Issue 11

[Paolo Giannozzi]

On Jun 9, 2008, at 14:44 , jiming an wrote:

> the criteria of relax  is Total foce equal 0.

that would be a bad criterion, since forces are never exactly zero
except in some high-symmetry crystals! P.
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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