Dear VASP users,
I just discovered the (undocumented?) keyword "LSTOCKHOLDER" in VASP. I would be highly interested in using this to obtain atomic densities - but when trying to use it on a simple a-Silicon calculation the run crashes with a seg fault after 255 loops trying to minimize some "DQ" value. Is this analysis ready to use or still under development as of vasp.5.2.12?
regards
Georg Eickerling
LSTOCKHOLDER
Moderators: Global Moderator, Moderator
-
GeorgE
- Newbie
- Posts: 2
- Joined: Wed Jun 27, 2012 12:16 pm
LSTOCKHOLDER
Last edited by GeorgE on Wed Jun 27, 2012 1:01 pm, edited 1 time in total.
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
LSTOCKHOLDER
the formalism is still under development and not supported therefore.
Last edited by admin on Thu Jul 12, 2012 3:28 pm, edited 1 time in total.