[CP2K-user] [CP2K:12527] RPBE functional in CP2K

[Thomas Kühne]

Dear Wanlu, 

the RPBE is not natively implemented in CP2K, but is nevertheless 
available as GGA_X_RPBE via the libXC library. 

Cheers, 
Thomas

> Am 22.11.2019 um 01:21 schrieb Wan-Lu Li <wanlu... at gmail.com>:
> 
> Dear users,
> 
> Does anyone know how to use RPBE functional in CP2K input file? I didn't find it in the manual. Thanks in advance.
> 
> Best regards,
> Wanlu
> 
> -- 
> 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 cp... at googlegroups.com <mailto:cp... at googlegroups.com>.
> To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/CA%2BSPXOj-%2Bu0Bz8sfF2yZ8pTmbLXHbe6hgcNxM8CrZXqGEjjeAA%40mail.gmail.com <https://groups.google.com/d/msgid/cp2k/CA%2BSPXOj-%2Bu0Bz8sfF2yZ8pTmbLXHbe6hgcNxM8CrZXqGEjjeAA%40mail.gmail.com?utm_medium=email&utm_source=footer>.



==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
tdku... at mail.upb.de
+49/(0)5251/60-5726

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191122/63baf0d9/attachment.htm>