Search found 2 matches

by mrubes
Fri Mar 08, 2013 10:53 pm
Forum: VTSTTools
Topic: VTST 3.x code updates
Replies: 11
Views: 38936

Re: VTST 3.x code updates

I was just testing the dimer run from your webpages. I don't know what exactly going on, but it seems that even following the instruction on the webpages and no compilation complains the vtst is somehow bypassed and vasp goes to its default optimizaton algorithm (thus when i set ibrion=3 and potim=0...
by mrubes
Thu Mar 07, 2013 9:49 am
Forum: VTSTTools
Topic: VTST 3.x code updates
Replies: 11
Views: 38936

Re: VTST 3.x code updates

I am having the same issues the optimization does not update a geometry during the run (vasp version 5.3.3 and the lateste VTST tools installed). Any hints where the problem is? Architecture is linux(x86_64) and two different intel compilers tested (ifort 11.0 and ifort 13.0). Small update I am havi...