Search found 2 matches

by mrkent
Wed Sep 05, 2012 7:06 pm
Forum: Bader
Topic: Problem compiling with DOS Projection vasp 5.2
Replies: 3
Views: 21981

Re: Problem compiling with DOS Projection vasp 5.2

Thanks for the quick response. I ran vasp with
LAECHG = .TRUE.
LADDGRID=.TRUE.
added to the INCAR, but I neglected the NGX, NGY, NGZ and NGXF, NGYF, NGZF-tags.
Bader ran successfully and gave perhaps reasonable results.

What are appropriate range of NG values?
I got a total electron number of 174 ...
by mrkent
Tue Sep 04, 2012 5:53 pm
Forum: Bader
Topic: Problem compiling with DOS Projection vasp 5.2
Replies: 3
Views: 21981

Problem compiling with DOS Projection vasp 5.2

I followed the directions specified here (http://theory.cm.utexas.edu/vtsttools/dos/) to compile this on Kraken (http://www.nics.tennessee.edu/computing-resources/kraken/). It compiled successfully, but when I try to run the example Cu_3Pt inputs, but I get this error when running vasp:

internal ...