My Community

Dear Vaspusers,

how can i read rho(x), rho(y), rho(z) values from CHGCAR file seperately?
What is the algorithm that VASP used to write datas to CHGCAR file?

Best regards,

Beyza

The way the CHGCAR file is written is stated in the manual:

http://cms.mpi.univie.ac.at/vasp/vasp/CHGCAR_file.html

There have also been multiple threads on the format structure. So for a more elobaration on the format, please just search the forum threads.

Cheers,
/Dan

Thank you for your advice but,
what does it mean that the x index is the fastest index, and the z index is the slowest index that written in manual?
How can i exactly read rho(x), rho(y) and rho(z) from CHGCAR file?
Which one is rho(x), rho(y) and rho(z) in CHGCAR file?

Best regards

Beyza

you can examine my read_chg.m matlab function which i use to plot average charge density profile along z-direction. Just copy all the files at http://unam.bilkent.edu.tr/mt2/random/read_chg/ into your computer and type chg_profile in matlab or octave console.

Mehmet

Dear everyone~
I find there have many negative values in my CHGCAR file,I wonder know why?Dos any body have gain the same situation,how to deal with it?
thank you!
<span class='smallblacktext'>[ Edited Sat Aug 14 2010, 03:32PM ]</span>