Dear Graeme,
Oops, my bad! Sorry for such an improductive thread in the forum.
Despite many years working with VASP, I'm afraid I can still produce this kind of typos...
Thanks a lot,
MCV
Search found 5 matches
- Fri Jul 05, 2024 6:52 am
- Forum: VTSTTools
- Topic: VASP aborting ... with vasp.6.4.2+vtstcode6.4
- Replies: 6
- Views: 12079
- Thu Jul 04, 2024 11:36 am
- Forum: VTSTTools
- Topic: VASP aborting ... with vasp.6.4.2+vtstcode6.4
- Replies: 6
- Views: 12079
Re: VASP aborting ... with vasp.6.4.2+vtstcode6.4
Hello,
There it is.
Thanks.
MCV
There it is.
Thanks.
MCV
- Tue Jul 02, 2024 6:03 am
- Forum: VTSTTools
- Topic: VASP aborting ... with vasp.6.4.2+vtstcode6.4
- Replies: 6
- Views: 12079
Re: VASP aborting ... with vasp.6.4.2+vtstcode6.4
P.S.: I forgot to mention one additional comment. Below there are the last lines writtent in the OUTCAR file. There is a message from the VTST script that makes no sense. "[...] VTST: version 4.1, (05/19/21) CHAIN: initializing optimizer OPT: Using Conjugate-Gradient optimizer OPT: CG, Init OPT...
- Mon Jul 01, 2024 1:30 pm
- Forum: VTSTTools
- Topic: VASP aborting ... with vasp.6.4.2+vtstcode6.4
- Replies: 6
- Views: 12079
VASP aborting ... with vasp.6.4.2+vtstcode6.4
Dear VTST developpers, I have compiled vasp.6.4.2 with vtstcode6.4 according to instructions in your group [webpage](https://theory.cm.utexas.edu/vtsttools/installation.html). I have done that in two HPC clusters with the help of my institue's computer engineer. Although plain vasp calculations work...
- Thu Nov 13, 2014 9:29 am
- Forum: VTSTTools
- Topic: order of images in NEB calculations
- Replies: 1
- Views: 6864
order of images in NEB calculations
Hi,
I have a very simple question. Does it make a difference, for a NEB calculation, if the energy of the initial state is lower than that of the final state ?
I would think it doesn't, but I want to make sure.
Cheers,
MCV
I have a very simple question. Does it make a difference, for a NEB calculation, if the energy of the initial state is lower than that of the final state ?
I would think it doesn't, but I want to make sure.
Cheers,
MCV