Charge density plots using VESTA

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apple · #1 Post by **apple** » Tue Jul 27, 2010 6:58 pm

hi,
I am trying to plot charge density with VESTA. Those of you who use VESTA, could you please tell me how to do it. In particular, I am would like to know it VESTA can read the CHGCAR file directly, or if the file has to be modified (if so, what format should it be in?). I would like to see atoms + charge density could in my plot.
Thanks a lot in advance.

Danny · #2 Post by **Danny** » Tue Aug 03, 2010 7:41 am

you can read the CHGCAR file with VESTA + you need the OUTCAR file in the same folder. Then proceed as usual.

Danny

apple · #3 Post by **apple** » Thu Aug 05, 2010 4:15 pm

hi Danny,
thanks for your reply. It works!!! The key was to have the OUTCAR file in the same folder as you suggested.
One more question: If I want to look at a supercell (repeat the unit cell in any direction several times), how do I do it? Is it possible?
Thanks.

metosa · #4 Post by **metosa** » Tue Aug 10, 2010 7:45 am

For supercell, click on Boundary icon on the left.

In addition, if you use latest vesta, you do not need OUTCAR .

apple · #5 Post by **apple** » Tue Aug 17, 2010 4:17 pm

Thanks! It works, of course..

senersen · #6 Post by **senersen** » Sun Jun 26, 2011 2:38 pm

When i try to plot CHGCAR file or CONTCAR file in VESTA (Windows version) it says "VESTA.exe has encountered a problem" and the program closes itself. Do you know a way to make VESTA read CHGCAR files in windows xp?

Thanks, sener.

Danny · #7 Post by **Danny** » Fri Jul 01, 2011 6:52 pm

check if you are using VASP5 CHGCAR files and an old version of VESTA. In VASP5 1 line is added containing the symbols of the chemica elements (which crashes older versions of VESTA, remove that line and all works fine.

Danny

Peeyush · #8 Post by **Peeyush** » Tue Aug 13, 2013 6:57 pm

Hi
I have another question on similar lines
Even when I have the CHGCAR file in the same folder as OUTCAR, then also I am getting an error saying that it is not the correct file format?
Has it got something to do with the way I ran my calculations?
Thanks

askhetan · #9 Post by **askhetan** » Wed Aug 14, 2013 4:03 pm

Why is all of this happening? My VESTA on windows and linux both, reads the CHGCAR files without needing to have the OUTCAR in the same folder! Does anybody else also "not" have this problem ?