<![CDATA[Multiwfn forum / IQA analysis over a non-stationary point]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=1436 Wed, 05 Jun 2024 16:54:23 +0000 FluxBB <![CDATA[Re: IQA analysis over a non-stationary point]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4277#p4277 Dear Tian,

Thank you very very much, my nice friend.

Sincerely,
Saeed

]]> Wed, 05 Jun 2024 16:54:23 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4277#p4277 <![CDATA[Re: IQA analysis over a non-stationary point]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4275#p4275 Dear Saeed,

In principle IQA is applicable to any geometry.

Best,

Tian

]]> Wed, 05 Jun 2024 06:31:22 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4275#p4275 <![CDATA[IQA analysis over a non-stationary point]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4274#p4274 Dear Tian,
If possible, please let me know are we allowed to perform IQA analysis for a given geometry (as a non-stationary point) along an IRC profile? Indeed, are we allowed to decompose interaction energy between two fragments using IQA shceme over the IRC profile where structures are not stationary point (fully optimized geometries)?

Sincerely yours,
Saeed

]]> Tue, 04 Jun 2024 19:04:00 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4274#p4274