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.
Search found 2 matches
- Mon Dec 17, 2007 2:39 am
- Forum: Bader
- Topic: Laplacian of charge density
- Replies: 2
- Views: 9263
- Thu Feb 22, 2007 3:18 am
- Forum: VTSTTools
- Topic: Recipe of dimer method
- Replies: 3
- Views: 11474
Recipe of dimer method
Hello, Dr Henkelman. I would like to ask a question for dimer method. Even though I read all of the threads in the board, I can't grab the details in a right way. 1) Starting from NEBM If I know the two optimized states after NEB, I can interpolate the tentative intermediate stages. interpolate.pl P...