UT theoretical chemistry code forum

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

Use the vtst code in the main directory for vasp.6.3.0. The code in the subdirectories is for older version of vasp.

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

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