[CP2K-user] [CP2K:17388] Re: Spin-Density could not be print out by CP2K 2022.1 (Develop Version)

Marcella Iannuzzi marci.akira at gmail.com
Tue Jul 26 16:23:17 UTC 2022

Dear ..

Are you sure that you are running a spin polarised calculation?

On Sunday, July 24, 2022 at 4:12:43 PM UTC+2 cqs... at gmail.com wrote:

> Hello.
> Spin-Density could not be print out by CP2K 2022.1 (Develop Version) but 
> Electronic Density  could be.
> All warnings are below and the input script has been attached.
>  *** WARNING in qs_scf_post_gpw.F:1764 :: Projected density of states ***
>  *** WARNING in qs_scf_post_gpw.F:963 :: Lowdin charges not implemented ***
>  *** WARNING in qs_scf_post_gpw.F:1236 :: Moments not implemented for ***
>  *** WARNING in qs_scf_post_gpw.F:463 :: Print MO cubes not implemented ***
>  *** WARNING in qs_scf_post_gpw.F:555 :: Localization and MO related ***
>  *** WARNING in force_env_methods.F:417 :: To print the stress tensor ***

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