[CP2K-user] [CP2K:18494] Re: Warning from PBE0+HSE method

'Frederick Stein' via cp2k cp2k at googlegroups.com
Sat Feb 25 17:35:51 UTC 2023

Dear Janson,

If your calculations run numerically stable and your quantities of interest 
do not change significantly while decreasing EPS_PGF_ORB, you can ignore 
this warning. Check the provided link in the warning for further 
information if necessary.


Janson Shi schrieb am Samstag, 25. Februar 2023 um 15:02:12 UTC+1:

> Dear sir,
> Even though I have set the EPS_PGF_ORB 1E-32 to my input file, there is 
> the warning. Is there any problem with my calculation?[image: 
> 1677333074182.jpg]
> Best regards,
> Janson Shi

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