Bismuth's CRENBL ECP potential do not match with people-clarkson website.

From NWChem

Viewed 538 times, With a total of 0 Posts
Jump to: navigation, search

Just Got Here
Threads 2
Posts 2
I want to use CRENBL ECP and basis set for Bismuth but why ECP does not match with the one
from PEOPLE-CLARKSON WEBSITE. I want to use the SO potential for SO_DFT.
I am now not sure if it is correct to use the libraryof NWCHEM. 
Can anyone help?
Edited On 1:46:48 PM PDT - Mon, May 2nd 2016 by SP

Forum >> NWChem's corner >> Running NWChem

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

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