[Dune] DUNE Numerics based Orbital Free Density Functional Theory Code

Oliver Sander oliver.sander at tu-dresden.de
Mon Jun 22 11:38:18 CEST 2020


Dear Swayam,

thanks for letting us know!  I haven't seen anybody using Dune for DFT before.
Good luck, and don't hesitate to write to the list when you have any questions.

Best regards,
Oliver

On 08.06.20 13:53, S Swayamjyoti wrote:
> Dear all, DUNE-users, 
> 
> Please find below the implementation of finite element based orbital-free density functional theory using DUNE Numerics.
> 
> https://github.com/sswayamjyoti/Orbital-Free-Density-Functional-Theory
> 
> Any of you interested to develop this further, please feel free to contact me. 
> 
> Regards,
> Swayam
> 
> 
>> 
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