Search found 2 matches
- Wed Oct 20, 2010 12:02 pm
- Forum: VTSTTools
- Topic: Can the NEB be run with deactivated IMAGES-tag
- Replies: 5
- Views: 14256
Can the NEB be run with deactivated IMAGES-tag
To run NEB for a few 0*/ directories in parallel required large number of CPUs. Is it possible to submit the jobs from each 0*/ separately? Thank you.
- Tue Oct 19, 2010 2:13 pm
- Forum: VTSTTools
- Topic: What files generated from the converged computations
- Replies: 1
- Views: 5809
What files generated from the converged computations
For the barrier use of NEB I have performed computations by VASP and the results have been converged for 4 images. OUTCAR and STDOUT files have been generated in In the subdirectories 0X for the OX/POSCARS. Are these two files OUTCAR and STDOUT or one of them sufficient to generate climbing image? H...