How to calculate Madelung energy?

Question on input files/tags, interpreting output, etc.

Please check whether the answer to your question is given in the VASP online manual or has been discussed in this forum previously!

Moderators: Global Moderator, Moderator

Post Reply
Message
Author
heyao
Newbie
Newbie
Posts: 1
Joined: Thu Dec 01, 2005 6:56 am

How to calculate Madelung energy?

#1 Post by heyao » Thu Dec 01, 2005 7:08 am

Is it Ewald energy in OUTCAR? Thanks a lot.
Last edited by heyao on Thu Dec 01, 2005 7:08 am, edited 1 time in total.
Top
admin
Administrator
Administrator
Posts: 2922
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

How to calculate Madelung energy?

#2 Post by admin » Thu Dec 01, 2005 3:31 pm

yes, please search for the string "br>
Ewald energy TEWEN =
Last edited by admin on Thu Dec 01, 2005 3:31 pm, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”