[xcrysden] How to include core electron density when exporting charge density?

Tone Kokalj tone.kokalj at ijs.si
Mon Aug 30 13:00:01 CEST 2010


On Fri, 2010-08-13 at 03:59 -0400, Yunpeng Wang wrote:
> Dear all:
> 
> Using pp.x, I can export the valence charge density. My question is,
> how can I export the total charge density, that is, the sum of valence
> charge density and core charge density? 

You should address this question to Pw_forum, as there you will like;y
obtain the help needed.

As far as I know is that the total charge density option is
available only when PAW potentials are used.

Regards, Tone

-- 
Anton Kokalj
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(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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