<![CDATA[Multiwfn forum / Theoretical calculation at high pressures with xp-pcm model]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1523 Sat, 31 Aug 2024 00:48:03 +0000 FluxBB <![CDATA[Re: Theoretical calculation at high pressures with xp-pcm model]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4580#p4580 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.

]]> Sat, 31 Aug 2024 00:48:03 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4580#p4580 <![CDATA[Theoretical calculation at high pressures with xp-pcm model]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4579#p4579 Dear Dr. Tian,

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


Thank you.

]]> Fri, 30 Aug 2024 18:04:50 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4579#p4579