Multiwfn forum / Theoretical calculation at high pressures with xp-pcm model

Re: Theoretical calculation at high pressures with xp-pcm model

dummy@example.com (sobereva) — Sat, 31 Aug 2024 00:48:03 +0000

It seems that the GOSTSHYP method implemented in Q-Chem is able to realize similar purpose of XP-PCM. I am not aware of which public program is able to realize XP-PCM, I suggest you contacting the method author.

Theoretical calculation at high pressures with xp-pcm model

dummy@example.com (Driss) — Fri, 30 Aug 2024 18:04:50 +0000

Dear Dr. Tian,

Is there a simple program or script to perform theoretical calculations at high pressures using the XP-PCM model?

Thank you.