Search found 4 matches

by stauff
Thu Sep 04, 2014 5:54 pm
Forum: VTSTTools
Topic: Usage of split_dos, for plotting total DOS
Replies: 3
Views: 13957

Re: Usage of split_dos, for plotting total DOS

Hi Sudda, I am assuming you have used LORBIT=11 if you are trying to get out the projected and decomposed DOS, but correct me if I am wrong. You should use split_dos to parse the DOSCAR into DOSi for each i atom. The script plots is meant to only plot the DOS0 file which contains only the...
by stauff
Tue Jun 18, 2013 3:32 pm
Forum: eOn
Topic: memory leak/OOM kill
Replies: 13
Views: 43340

Re: memory leak/OOM kill

Hi guys,

We are trying to resolve this issue. Can either of you provide a workunitid or resultid of jobs that have crashed--this will greatly speedup our search for the source of this issue.
by stauff
Wed May 01, 2013 4:04 pm
Forum: eOn
Topic: process got signal 8
Replies: 2
Views: 17109

Re: process got signal 8

The signal 8 error means " SIGFPE 8 Core Floating point exception" and is project-related. I have edited my input parameters handle this error and have not had such an error has not occurred since.
by stauff
Mon Feb 13, 2012 5:05 pm
Forum: VTSTTools
Topic: VASP-MD velocities and VACF
Replies: 15
Views: 34046

Re: VASP-MD velocities and VACF

The script has been updated for vasp5.2-format XDATCAR files. It also requires the associated OUTCAR file. It can be found with the other vtstscripts.