Charge density with vasp

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


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sepideh_kavousi
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Charge density with vasp

#1 Post by sepideh_kavousi » Tue Dec 06, 2022 5:54 pm

Hello, I am new in using VASP and I have a problem. I want to calculate the charge density profile. In the INCAR file I set:

LCHARG = .TRUE.
LAECHG = .TRUE.

Based on the following tutorial I found online ( https://www.youtube.com/watch?v=UxPrN7KcswA ), setting LAECHG should write three output files (AECCAR0, AECCAR1, AECCAR2) which I should open later on using VESTA to calculate charge density. But for some reason these files are not written and I only have CHG and CHGCAR files. Can someone help me what I am doing wrong?
Best,
Sepideh

ferenc_karsai
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Re: Charge density with vasp

#2 Post by ferenc_karsai » Fri Dec 09, 2022 1:45 pm

Please upload your calculation files according to the forum guidelines (INCAR, KPOINTS, POSCAR, POTCAR, OUTCAR).

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