[CP2K-user] [CP2K:14666] Re: PBE0 Pseudopotential file

Monu Joy monuj... at gmail.com
Sun Jan 31 16:46:24 UTC 2021

Hi Frederick
Thanks for the response, and please see the attached file. I wasn't able to find the PBE0 Pseudopotential file in the default cp2k Pseudopotential/basis set file directory (...cp2k/cp2k/data) and I can ask my system admin to put the file in, but before that, I would like to make sure this file is error-free. I have tried both with and without the extension (.txt) but the error is the same.
For the test calculation, I used this file from the local working directory.
Thank you so much.
-Monu    On Sunday, 31 January, 2021, 05:06:01 am GMT-5, 'Frederick Stein' via cp2k <cp... at googlegroups.com> wrote:  
 Hi Monu,
Your pseudopotentials file seems to be self-made. Can you upload it too?

Monu Joy schrieb am Sonntag, 31. Januar 2021 um 01:34:04 UTC+1:

Hi there
How can I eliminate this error...? I was trying to do a PBE0 calculation but I was getting this error.

Monu JoyGraduate Student & Teaching Assistant
Functional Materials Design & X-ray Diffraction Lab (Office: CAMP 328)
Department of Chemistry & Biomolecular Science, Box 5814
Clarkson University, Potsdam, NY 13699, USA
E-mail: j... at clarkson.edu | Mob: +1 (315) 323-4313
Web Page======================================

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.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/bf465ba3-ac21-4c28-9af6-3336cf313a9cn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210131/c363a0ae/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PBE0 Pseudopotentials
Type: application/octet-stream
Size: 128952 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210131/c363a0ae/attachment.obj>

More information about the CP2K-user mailing list