[CP2K-user] error (v. 8.2, windows)

Трояна Кисслер troyana... at gmail.com
Thu Jul 22 11:38:13 UTC 2021

Thank you very much!!! 
I forgot that I can find information about error in .out file. 
I've deleted ".dat" and now there are no errors. 

Can I ask you one more question? How can I understand that calculations are 
I see the .out file, but his size is 0 kb

четверг, 22 июля 2021 г. в 14:19:10 UTC+3, brhr: 

> I think the details of the error was written in the output 
> "CP2K_diamond_2x2_DZVP-MOLOPT.out".
> Could you post the details of the error?
> When I calculated with your input, the almost same error was regenerated
> due to BASIS_SET_FILE_NAME specification BASIS_MOLOPT.dat instead of 
> BASIS_MOLOPT in the DFT section.
> brhr
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