[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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