Dear Dr. Graeme,
It works wonderfully! Thank you very much for your prompt support!
Best regards,
Search found 2 matches
- Tue Aug 11, 2020 5:27 am
- Forum: VTSTTools
- Topic: Illegal division error while using dymmatrix.pl
- Replies: 2
- Views: 10858
- Sun Aug 09, 2020 12:57 pm
- Forum: VTSTTools
- Topic: Illegal division error while using dymmatrix.pl
- Replies: 2
- Views: 10858
Illegal division error while using dymmatrix.pl
I am attempting to perform a vibrational analysis on my system, which is a huge organic molecule (DMMP) adsorbed on a TiO2(110) oxide. However after the calculation was done, while extracting the frequencies using dymmatrix.pl, I encountered an error stating:
-----
Building Hessian matrix
Illegal ...
-----
Building Hessian matrix
Illegal ...