[CP2K-user] [CP2K:17383] Basis sets and potentials for Actinides

[Jürg Hutter]

Hi

have a look in BASIS_MOLOPT_AcPP1 in the data directory.

regards

Juerg Hutter

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Niharendu Choudhury <niharc2007 at gmail.com>
Sent: Tuesday, July 26, 2022 8:18 AM
To: cp2k
Subject: [CP2K:17383] Basis sets and potentials for Actinides

Are the basis sets and potentials for actinides e.g. U, Pu etc available?

It is not included in the CP2K distribution.

Can anybody help me in this matter?

Regards
N. Choudhury

--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/5dc8bf25-b135-4abf-8935-a3fe61bfe94fn%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/5dc8bf25-b135-4abf-8935-a3fe61bfe94fn%40googlegroups.com?utm_medium=email&utm_source=footer>.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ZR0P278MB0759E59A07082EAE0812E9D99F949%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM.