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

Posted: Thu May 07, 2015 4:29 am
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?

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

Posted: Thu May 07, 2015 1:09 pm
by graeme
The information is past half way down that page under the section entitled: Note for VASP users

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

Posted: Wed May 13, 2015 2:11 am
by jianmin
Thanks for the tip. Problem solved.