UT theoretical chemistry code forum

Posted: **Mon Dec 17, 2007 2:39 am**

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.

Posted: **Mon Dec 17, 2007 5:24 am**

We have not implemented this yet.

Posted: **Tue Feb 24, 2009 10:57 pm**

check file "elf.F"

UT theoretical chemistry code forum

Laplacian of charge density

Laplacian of charge density

Re: Laplacian of charge density