Laplacian of charge density

Bader charge density analysis

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erogen
Posts: 2
Joined: Thu Feb 22, 2007 2:59 am

Laplacian of charge density

Post by erogen »

Hello folks.

I'm just wondering wether bader analysis package is implemented for laplacian of (decomposed) charge density in VASP or not. Is there any perl script for it in VASP?

Any comment will be helpful.
Thanks. Y. Kim.
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graeme
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Post by graeme »

We have not implemented this yet.
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minyu2
Posts: 1
Joined: Tue Feb 24, 2009 10:49 pm

Re: Laplacian of charge density

Post by minyu2 »

check file "elf.F"
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