How to calculate the Free energy

From NWChem

Viewed 1369 times, With a total of 1 Posts
Jump to: navigation, search

Clicked A Few Times
Threads 15
Posts 31
Hi,
can anyone please tell me how to calculate/output Gibbs free energy for a particular system.
Is there any key word I should use?

Thanks in advance.

Clicked A Few Times
Threads 7
Posts 18
This is very late reply. Adding "task dft frequencies numerical" can yield you more output about thermochemistry.


Forum >> NWChem's corner >> General Topics



Who's here now Members 0 Guests 0 Bots/Crawler 1


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