Skip to first unread message
Siddharth Sankar Dutta
Aug 25, 2020, 10:36:58 AM8/25/20
to nwchem...@googlegroups.com
Hi
I want to know about the bhandhlyp method is available in nwchem
Govind, Niri
Aug 25, 2020, 10:42:00 AM8/25/20
to nwchem...@googlegroups.com
Hi, This the BHLYP functional. Please use xc bhlyp in your dft block.
Best,
-Niri
Niri Govind
PNNL
--
You received this message because you are subscribed to the Google Groups "NWChem Forum" group.
To unsubscribe from this group and stop receiving emails from it, send an email to
nwchem-forum...@googlegroups.com.
To view this discussion on the web visit
https://groups.google.com/d/msgid/nwchem-forum/CAEQouF8SVdj7vumWicNHcePjpq0k7AY4Z4aL4wBmbZCba3onOw%40mail.gmail.com.
Siddharth Sankar Dutta
Aug 25, 2020, 1:18:50 PM8/25/20
to nwchem...@googlegroups.com
Ok.. Bhandhlyp and bhlyp are same.. Thanks in advance
To view this discussion on the web visit https://groups.google.com/d/msgid/nwchem-forum/SJ0PR09MB6192FB35BF5095E922A3C4CA99570%40SJ0PR09MB6192.namprd09.prod.outlook.com.
Reply all
Reply to author
Forward
0 new messages