Miguel and Bob,
I do not think that you should add the flag for units in the
.cube file. I was having problems with .cube files I generated from
surfaces generated in the program MacMolPlt in Angstroms. Since the
Gaussian .cube files seem to be in Bohr. I will just convert to
Bohr. I have now done this in the Java tools I provide on my web
site for doing the conversion.
Thanks for your help.
Jonathan
--
---------------------------------------------------------------------------
Dr. Jonathan H. Gutow
Chemistry Department [EMAIL PROTECTED]
UW-Oshkosh Office:920-424-1326
800 Algoma Boulevard FAX:920-424-2042
Oshkosh, WI 54901
http://www.uwosh.edu/faculty_staff/gutow/
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