[QE-developers] Modified files for magnetization, ?==?utf-8?q? paw, lda+U

[Filippo Spiga]

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--
Filippo SPIGA ~ http://fspiga.github.io ~ skype: filippo.spiga


On Wed, 9 Sep 2020 at 08:13, Antoine Jay <ajay at laas.fr> wrote:

> Dear developers,
>
> Please find in attachment light modifications of PW/remove_atomic_rho.f90
> and PW/potinit.f90 files.
> They allow to use input_drho and output_drho in combination with nspin>1,
> paw, lda+U.
> Note that their optimal use must be done while using startingpot='file'
> that call read_scf and read the separated files as paw.txt or occup.txt.
>
> Could you please change the acutal files by these new ones in the future
> 6.7 version?
>
> Thank you very much
>
> Antoine Jay
> LAAS-CNRS
> Toulouse France
>
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