[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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