CHGCAR and Opendx

Message

opvu · #1 Post by **opvu** » Wed May 10, 2006 10:23 am

Dear all,

I want to visualize CHGCAR with Opendx: www.opendx.org, so I need help:

1. I don,t understand the structure of CHGCAR: what column is corresponding to what quatity?

2. How to change the CHGCAR so that it can be visualized by Opendx.

Anyone have experience please help me!
Thanks very much.

lahaye · #2 Post by **lahaye** » Mon May 15, 2006 2:36 am

Hi opvu,

Last week I wrote an interface code so that I can display the CHGCAR
with OpenDX. I can share that with you, if you like.

Rob.

bandy · #3 Post by **bandy** » Thu Jun 08, 2006 4:45 am

Hi Rob.

I am interested in your interface code to receive via email. Thans
bandy

lcyin · #4 Post by **lcyin** » Thu Jun 08, 2006 12:45 pm

Hi Rob

I am also interested in your interface code, can you share it with me. Thks.

lcyin

lahaye · #5 Post by **lahaye** » Fri Jun 09, 2006 6:10 am

My OpenDX interface is very basic and plain. It's here:
http://mbm.snu.ac.kr/~lahaye/chgcar.tar.gz
Please be aware that I have written this code, but never really used it.
There might be bugs and it's certainly incomplete. Read it yourself
carefully and fix it whereever you think it needs repair.

I have not used it, because very soon I found out about VMD and
an interface for VASP which is much better than my piece of code.
VMD is free and an execellent tool:
http://www.ks.uiuc.edu/Research/vmd
and the interface to VMD is here:
http://www.uni-ulm.de/~ssakong/?file=vmdplugins.html

Cheers,
Rob.