[Pw_forum] all-electrons calculations

dario rocca roccad at gmail.com
Sat Jan 28 18:40:41 CET 2017


Dear Farah,
You don't need any additional flag, just select  PAW pseudopotentials for
your calculation. Not all the the functionalities of QE can be used with PAW
Best,
Dario Rocca

On Sat, Jan 28, 2017 at 4:18 PM, FARAH MARSUSI <marsusi at aut.ac.ir> wrote:

> Dear All,
>
> I could not find any documentation regarding paw method and descriptions
> of its input flags in QE. Would be very grateful, if introduce any.
>
>
> Best regards,
>
> F. Marsusi,
>
>
> Amirkabir University of Technology.​
>
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