[Wien] potential energy surface
Vinayak Mishra
vinayak at ipr.res.in
Thu Apr 12 00:17:12 CEST 2007
Dear WIEN2k users,
Can potential energy surface for hydrocarbons by generated by
using WIEN-2k code? If yes the how? For example I want to calculate
potential energy of single molecule of CH4 (methane) as a function of
the bond lenghths and its orientations, then how can i calculate it by
using wien-2k?
vinayak
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