VTSTCODE for VASP 6.3.0

Vasp transition state theory tools

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Huan Wang
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Joined: Sun Mar 13, 2022 10:01 am

VTSTCODE for VASP 6.3.0

Post by Huan Wang »

Dear VTSTTools developers,

I am not sure if the codes in vtstcode-184.tgz match with the VASP 6.3.0. The online description of the installation http://theory.cm.utexas.edu/vtsttools/installation.html only instructs the usage for the VASP 6.1x and 6.2x versions.

For the VASP 6.3.0, should I use the codes in the "vtstcode6.1" directory?

Best regrads,
Huan
graeme
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Re: VTSTCODE for VASP 6.3.0

Post by graeme »

Use the vtst code in the main directory for vasp.6.3.0. The code in the subdirectories is for older version of vasp.
Huan Wang
Posts: 2
Joined: Sun Mar 13, 2022 10:01 am

Re: VTSTCODE for VASP 6.3.0

Post by Huan Wang »

Hi graeme,

Thank you very much for your response.

I compared the codes in the main directory and in the vtstcode6.1. Four of them (lanczos.F, instanton.F, dimer.F, and chain.F) are different.

The chain.F in the main directory shows that it's VTST: version 4.2, (08/11/21), while the chain.F in the vtstcode6.1 directory shows that it's VTST: version 4.0, (05/15/20).

I will compile VASP 6.3 with the VTST codes in the main directory. Thank you again.

Have a nice day,

Huan
graeme
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Re: VTSTCODE for VASP 6.3.0

Post by graeme »

Perfect, thanks for letting me know that it works!
Graeme
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