Examples to test if VTSTTool has been installed properly
Posted: Thu Jun 02, 2011 3:51 am
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
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