Feature request (COHP)
Posted: 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
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