How to calculate Chemical Shifts

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
JohnnyTsien
Newbie
Newbie
Posts: 8
Joined: Mon Jan 26, 2009 6:48 pm
License Nr.: 84, upgraded to paw

How to calculate Chemical Shifts

#1 Post by JohnnyTsien » Thu Mar 31, 2011 7:55 pm

Hi folks,

Can we calculate chemical shifts using VASP?

-Johnny
Last edited by JohnnyTsien on Thu Mar 31, 2011 7:55 pm, edited 1 time in total.
Top
alex
Hero Member
Hero Member
Posts: 585
Joined: Tue Nov 16, 2004 2:21 pm
License Nr.: 5-67
Location: Germany

How to calculate Chemical Shifts

#2 Post by alex » Fri Apr 01, 2011 6:42 am

Not at all. Use CPMD instead ... :-(

Cheers,

Alex
Last edited by alex on Fri Apr 01, 2011 6:42 am, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”