[Pw_forum] Ruthenium fully relativistic pseudopotential

[Antimo Marrazzo]

Dear Ram,

have a look at the pslibrary 1.0: 
http://www.qe-forge.org/gf/project/pslibrary/frs/?action=FrsReleaseBrowse&frs_package_id=41
There you find fully relativistic PAW and US pseudopotentials for Ru.

HTH

P.S.
Your affiliation is missing.

-- 
Antimo Marrazzo
Doctoral Assistant
EPFL STI IMX THEOS
ME-D2 1019 (Bâtiment ME)
Station 9
CH-1015 Lausanne (Switzerland)




On 04/27/2016 11:22 PM, Ram Krishna Ghosh wrote:
> Hi All,
> I am trying to calculate the spin orbit effect on the Ru atom but 
> there is no fully relativistic pseudopotential in the QE 
> pseudopotential repository. Can any one help me out to get that?
>
> Thanks
> Ram
>
>
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