[CP2K-user] [CP2K:16549] *** WARNING in qs_scf_post_gpw.F:446 :: Print MO Cubes not implemented *** *** for k-point calculations!! *** *** WARNING in qs_scf_post_gpw.F:538 :: Localization and MO related *** *** output not impleme

Ly Li lilang8497 at gmail.com
Mon Feb 7 02:35:57 UTC 2022


Dear SIr/Madam,

Thanks for your attention in advance.
I plan to do cell_optimazation of Pt(111) bulk. But in my output, it 
reported: 

 *** WARNING in qs_scf_post_gpw.F:446 :: Print MO Cubes not implemented ***

 *** for k-point calculations!!                                         ***


 *** WARNING in qs_scf_post_gpw.F:538 :: Localization and MO related ***

 *** output not implemented for k-point calculations!                ***


Please find the attached files below.
I will pleasure If you can give me any advice.

Best wishes,

Lang Li

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