Feature request (COHP)

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crischawo
Posts: 7
Joined: Thu Jan 19, 2012 10:35 am

Feature request (COHP)

Post by crischawo » Wed Dec 19, 2012 4:13 pm

Dear abiniters,

may I kindly ask/propose to add the I/COHP (Lmto) feature to ABINIT? As a chemist I find this weighting of the DOS extremely helpful.

I found this article:
"Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets", available here: http://www.qcc.ru/~tch/papers/095.pdf

Sincerely yours,
Christian

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