Search found 2 matches

by pranoy
Tue Jun 22, 2021 7:10 pm
Forum: Bader
Topic: CHGCAR file
Replies: 8
Views: 45092

Re: CHGCAR file

Thank you for your reply. That info was very beneficial. But how does VESTA rearrange the data for visualization? I am just trying to understand the ground reality of post processing the CHGCAR data, and will be personally looking for methods to improve it.
by pranoy
Tue Jun 22, 2021 7:33 am
Forum: Bader
Topic: CHGCAR file
Replies: 8
Views: 45092

Re: CHGCAR file

May I ask what is the pattern in which the data is stored? I understand that it is a 3D Fortran array but why are there 5 columns wrt NX, NY and NZ? Shouldn't there be 3 columns? What are the 2 extra columns for? I know this might be a dumb question, but I request you to please help me with it. Also...