Plotting orbitals

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Clicked A Few Times
Threads 10
Posts 26
Thank you so much for your reply. I can print the orbitals with "ORBITALS; <NO. OF ORBITALS> ; <ORBITAL 1 2 ....>. But I can not visualize them in molden when I generate the cube file through directive "gaussian" and output "mo.cube". Also my system has 900 orbitals. Can you please suggest how can I print all of them without putting like 1 2 3 ...900 in the input and further visualize them. Thanks in advance.
Edited On 2:37:40 PM PST - Tue, Dec 4th 2012 by Himadride

Who's here now Members 0 Guests 0 Bots/Crawler 0

AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC