[CP2K-user] [CP2K:16554] Re: CPASSERT failed issue

[Marcella Iannuzzi]

Dear Zac

You need to add empty states using the following keyword in  DFT%SCF

   - ADDED_MOS 
   <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF.html#list_ADDED_MOS>

Regards
Marcella

On Friday, February 4, 2022 at 8:33:12 PM UTC+1 qingxi... at gmail.com wrote:

> Dear all,
> I am new to use CP2K.  I check previous conversations about CPASSERT 
> failed.
> Seems like different reasons can cause CPASSERT failed.
>
> Can you help me to figure my  CPASSERT failed issue?
> (attach my input and output files for you to check)Thanks.
>
>
> Have a good day
> Zac
>

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