VMD-L Mailing List

From: leila karami (karami.leila1_at_gmail.com)
Date: Tue May 01 2012 - 04:26:06 CDT

Dear VMD users

I am working CPMD software for molecular orbital. At first, I created the
input file, then I converted to .cube file by cpmd2cube.

I visualized this file in VMD with an isosurface but I can not get required
information.

I want to observe molecular orbital (such as HOMO&LUMO) like what is in the
manual.

Any help will highly appreciated.