compile vasp.6.3.0 with vtst-197

Vasp transition state theory tools

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wkq
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Joined: Sun Apr 16, 2023 1:17 am

compile vasp.6.3.0 with vtst-197

Post by wkq »

Hello everyone,
when I compile vasp.6.3.0 with vtst-197 and set " ICHAIN = 1 " in INCAR file, the output of OUTCAR are following :


VTST: version 4.1, (05/19/21)

CHAIN: initializing optimizer

OPT: Using VASP Quick-Min optimizer
CHAIN: Read ICHAIN 1

POSCAR: Si
positions in direct lattice
No initial velocities read in
CHAIN: Running the Dynamical Matrix
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| The following INCAR tags have not been used: |
| In line 27: ICHAIN |
| Please check whether the tags are spelled correctly, have the |
| correct format, and do not appear multiple times in the file. |
| |
-----------------------------------------------------------------------------


I did not receive any errors during the compilation process, but why does the program not recognize the ICHAIN parameter? The attachment is a complete OUTCAR file.

However, when I use vasp.6.1.0 with vtst-197, I do not have this error.

thank you in advance.
wkq
Attachments
OUTCAR.txt
OUTCAR file
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