The VASP developers supply some scripts about charge density. Now I have a question about the algorithm of chgdiff.pl usage:
chgdiff.pl (CHGCAR1) (CHGCAR2).
Does that means CHGCAR_diff = CHGCAR2 - CHGCAR1
or the reverse CHGCAR1 - CHGCAR2?
Note: I notice there is a description in the chgdiff.pl script written in Perl language.
usage: chgdiff.pl <reference CHGCAR> <CHGCAR2>\n
Thank you in advance for any confirmation.
<span class='smallblacktext'>[ Edited ]</span>
One question about the chgdiff.pl script
Moderators: Global Moderator, Moderator
One question about the chgdiff.pl script
Last edited by Lizhe on Mon Nov 23, 2009 8:27 am, edited 1 time in total.
-
- Jr. Member
- Posts: 54
- Joined: Sat Jul 02, 2005 6:11 am
- Location: Austin, TX
- Contact:
One question about the chgdiff.pl script
It is CHGCAR2 - CHGCAR1
Last edited by graeme on Tue Nov 24, 2009 3:29 am, edited 1 time in total.
One question about the chgdiff.pl script
[quote="graeme"]It is CHGCAR2 - CHGCAR1[/quote]
Thank you very much for the response.
Thank you very much for the response.
Last edited by Lizhe on Tue Dec 08, 2009 1:46 am, edited 1 time in total.