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

jiming an anjmanqi at yahoo.com.cn
Mon Jun 9 14:44:16 CEST 2008


1. The criteria of relax ? (wangqj1)

dear pwscf users
I want to know the criteria of relax ,after I completing one relax ,I don't know whether the result conform to request or not .How to set the key parameter of relax , e.g ,the trust_radius_max,trust_radius_min,trust_radius_ini,and so on .what's the basis of set them ?
I long for someone to help me .
Thank you .
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the criteria of relax  is Total foce equal 0.
Jiming An 


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