[gpaw-users] Plot pseudo charge density

[Rizwan Ahmed]

Hi Niels,

I remember I used VMD once but it did not generate nice isosurfaces as you mentioned.

I was interested in plotting planner xy-average potential along z. So, I generated cube files and wrote a script to do planner xy-avg along z and then plot. if you interested in it, I can send it to you,

BR,

Rizwan
________________________________________
From: gpaw-users-bounces at listserv.fysik.dtu.dk [gpaw-users-bounces at listserv.fysik.dtu.dk] on behalf of Niels Bendtsen Halck [ntben at fysik.dtu.dk]
Sent: Wednesday, November 05, 2014 1:00 PM
To: gpaw-users at listserv.fysik.dtu.dk
Subject: [gpaw-users] Plot pseudo charge density

Hi

I am interested in plotting some isosurfaces with the pseudo charge density.

However most of the solutions that I have found fails for non cubic cells such as the trick at the summer school:
https://wiki.fysik.dtu.dk/gpaw/exercises/faeq.html#making-x-y-plots

Also I have tried VMD which does not generate very nice isosurfaces for some reason and then J-mol. J-mol seems fine but I am unsure if I can get publishable quality images.

I would really like to use Mayavi for it. Do any of you have a script that can do charge density isosurfaces on non-cubic cells?

Sincerely
Niels Bendtsen Halck
Ph.d.-studerende
FYS-CAMD
DTU Fysik
Bygning 307
2800 Kgs. Lyngby
Direkte telefon 45253177
ntben at fysik.dtu.dk
www.fysik.dtu.dk
_______________________________________________
gpaw-users mailing list
gpaw-users at listserv.fysik.dtu.dk
https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users