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

brhr iwao.... at gmail.com
Thu Jul 22 11:19:10 UTC 2021

I think the details of the error was written in the output 
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.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210722/117b15aa/attachment.htm>

More information about the CP2K-user mailing list