One question about the chgdiff.pl script

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


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Lizhe

One question about the chgdiff.pl script

#1 Post by Lizhe » Mon Nov 23, 2009 8:27 am

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>
Last edited by Lizhe on Mon Nov 23, 2009 8:27 am, edited 1 time in total.

graeme
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One question about the chgdiff.pl script

#2 Post by graeme » Tue Nov 24, 2009 3:29 am

It is CHGCAR2 - CHGCAR1
Last edited by graeme on Tue Nov 24, 2009 3:29 am, edited 1 time in total.

Lizhe

One question about the chgdiff.pl script

#3 Post by Lizhe » Tue Dec 08, 2009 1:46 am

[quote="graeme"]It is CHGCAR2 - CHGCAR1[/quote]

Thank you very much for the response.
Last edited by Lizhe on Tue Dec 08, 2009 1:46 am, edited 1 time in total.

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