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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