[CP2K-user] [CP2K:14675] Re: PBE0 Pseudopotential file

[Monu Joy]

I replaced it with what you suggested but still getting the same error. Do you think that I would be able to download it from the cp2k page...?
-Monu 

    On Wednesday, 3 February, 2021, 02:05:07 pm GMT-5, 'Frederick Stein' via cp2k <cp... at googlegroups.com> wrote:  
 
 Hi Monu,
Can you replace line 1186 by "  1  0  10  "?
Best,
Frederick

Monu Joy schrieb am Sonntag, 31. Januar 2021 um 17:46:36 UTC+1:

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 <c... at googlegroups.com> wrote:  
 
 Hi Monu,
Your pseudopotentials file seems to be self-made. Can you upload it too?
Best,
Frederick

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======================================
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======================================


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