Examples to test if VTSTTool has been installed properly

Vasp transition state theory tools

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rs1
Posts: 4
Joined: Thu Jun 02, 2011 2:45 am

Examples to test if VTSTTool has been installed properly

Post by rs1 »

Dear all,

I was wondering if there is a *.tar.gz file containing INCAR, POSCAR, POTCAR, and KPOINTS of a system for which the activation-energy barrier and total-energies of their respective images have been calculated previously.

I want to check if my compilation of the VTSTools is accurate enough to reproduce the activation-energies of, let's say, a standard system for this type of computations (i.e., CI-NEB with VASP).

Thanks,
rs
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