about chgdiff.pl

Vasp transition state theory tools

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lgxyz
Posts: 51
Joined: Tue Sep 07, 2010 1:52 pm

about chgdiff.pl

Post by lgxyz »

When using chgdiff.pl CHGCAR1 CHGCAR2, we want CHGCAR1-CHGCAR2, but I note in the code that is CHGCAR2-CHGCAR1. Is this a proplem? Pls give some suggestion. Thanks!
graeme
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Re: about chgdiff.pl

Post by graeme »

Can't you just run chgdiff.pl CHGCAR2 CHGCAR1 ?
lgxyz
Posts: 51
Joined: Tue Sep 07, 2010 1:52 pm

Re: about chgdiff.pl

Post by lgxyz »

Ok! But I means that many people want to use chgdiff.pl CHGCAR1 CHGCAR2, giving the result of CHGCAR1-CHGCAR2. In fact they will get CHGCAR2-CHGCAR1. Pls note this when one uses chgdiff.pl.
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