[Pw_forum] Counterpoise correction

Tone Kokalj tone.kokalj at ijs.si
Thu May 29 11:06:49 CEST 2014


On Thu, 2014-05-29 at 16:50 +0800, Francis Jing wrote:
> Dear all,
> 
> 
> I want to study weak interactions using vdw-DF, and have two
> questions:
> 
> 
> 1. How to do counterpoise correction?
> I have searched the manual and the web, but cannot find a detailed
> instruction.

You have not find any instruction, because there is no basis-set
superposition error with plane-wave basis set, hence the counterpoise
correction = 0.

Regards,
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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See:  http://www.gnu.org/philosophy/no-word-attachments.html




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