My Community

Dear Vaspians.

I am a new comer from chemistry background, therefore
looking forward to preforming COOP analysis.

I have searched through the forum archive, but only can find a clue.

Would you please recommend me some "practical" references
(except <Solids and Surfaces> by Prof. Roald Hoffmann)
for building up COOP script dealing with PROCAR (or PROOUT, I am not sure :-()?

What should I integrate along the PROCAR or PROOUT?

Many thanks in advance :-)




<span class='smallblacktext'>[ Edited ]</span>

COHP is the same only different. There's some information on that here: http://www.cohp.de

It's a pain that the orbitdos program doesn't work with the current versions of vasp. If you get something working let us know.

Thank you for your advice :-)

I will try :-)