PCM with geometry optimization and properties

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Posts: 5
Joined: 04 Mar 2016, 22:50
First name(s): Miroslav
Last name(s): Iliaš
Affiliation: Matej Bel University
Country: Slovakia

PCM with geometry optimization and properties

Post by miro_ilias » 23 Nov 2019, 08:08


is PCM with the geometry optimization and subsequent property calculations supported in Dalton ?

I hit problem here, https://gitlab.com/dalton/dalton/issues ... _248763282 , to me it seems that PCM does not like Dalton's geometry optimizer.


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