[Pw_forum] which criterion does not meet during relax progresss

[Paolo Giannozzi]

On Oct 12, 2011, at 4:53 , xu yuehua wrote:

> I relaxed a system, my relaxation criterion is
>  etot_conv_thr=1.D-5

this is a quite strict crterion. It means that the energy (in Ry)
should not change by more than 1.D-5 between successive
iterations

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222