[SIESTA-L] DM.AllowExtrapolation for VariableCell Structural relaxation optimization.

Tue, 26 Jul 2011 00:24:28 -0700 

Hi all,
When I do the VariableCell Structural relaxation optimization, I noted there has a optiion named as DM.AllowExtrapolation. 


Could someone please give me some hints on the set of the option?   I 
mean, for a VariableCell Structural relaxation, should I always set the 
DM.AllowExtrapolation to true?


Regards
--
Hongyi Zhao <[email protected]>
Institute of Semiconductors, Chinese Academy of Sciences
GnuPG DSA: 0xD108493






















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