Do not set LAECHG=.TRUE. in the new VASP version?

Bader charge density analysis

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jianmin
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Joined: Fri Jan 15, 2010 2:39 am

Do not set LAECHG=.TRUE. in the new VASP version?

Post by jianmin »

Dear Prof. Graeme,
I am learning how to perform the Bader charge analysis. I was told that I should set LAECHG=.TRUE. in the INCAR file and then run the job. By this I will get the corresponding output files AECCAR0 AECCAR1 AECCER2. But I don't see this piece of information in the webpage: http://theory.cm.utexas.edu/henkelman/code/bader.
Does it mean that for the latest version of Bader, running the "bader chargefile" conmmand is enough?
graeme
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Re: Do not set LAECHG=.TRUE. in the new VASP version?

Post by graeme »

The information is past half way down that page under the section entitled: Note for VASP users
jianmin
Posts: 71
Joined: Fri Jan 15, 2010 2:39 am

Re: Do not set LAECHG=.TRUE. in the new VASP version?

Post by jianmin »

Thanks for the tip. Problem solved.
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