Queries about input and output files, running specific calculations, etc.
Moderators: Global Moderator, Moderator
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Abdulrahman_Allangawi
- Newbie
- Posts: 18
- Joined: Wed May 07, 2025 10:19 am
#1
Post
by Abdulrahman_Allangawi » Thu Feb 26, 2026 10:33 am
Dear Admins,
I have some confusion on the usage of the VTST tool and its differences from the normal TS tools within VASP versions 6.x onwards.
In particular, I am using VASP 6.5.1, with the vaspsol module implemented. In this regard, I want to run NEB calculations.
To achieve this goal, I used the VTST scripts to create the intermediate POSCAR files. However, it is not clear to me if the usage of CI-NEB through the LCLIMB command is available through the VASP installation or if it is only available once the VTST module is patched on VASP.
Can you clarify this please?
Regards,
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ahampel
- Global Moderator
- Posts: 197
- Joined: Tue Feb 16, 2016 11:41 am
#2
Post
by ahampel » Thu Feb 26, 2026 12:39 pm
Hi Abdulrahman_Allangawi,
Thank you for reaching out to us on the official VASP forum. I would like to briefly clarify that we do not provide support for running NEB (or CI-NEB) via VTST tools/patches; if you use VTST scripts or a VTST-patched VASP, support needs to come from the VTST documentation/community.
What we can say for stock VASP 6.5.1:
- The VASP source includes the standard “chain” (elastic band / NEB) implementation that is activated via IMAGES.
- There is no LCLIMB tag, i.e. no climbing image method
See https://www.vasp.at/wiki/Nudged_elastic_bands for a tutorial on NEB calculations via VASP.
If you need CI-NEB controlled by LCLIMB, that would require a VASP version/build where that functionality has been added via VTST. See also https://theory.cm.utexas.edu/vtsttools/neb.html for more details.
Best regards,
Alex