[Pw_forum] fully relativistic US-PP for Fe
Cyrille Barreteau
cbarreteau at cea.fr
Fri Nov 19 11:20:19 CET 2004
Dear pwscf...
I would like to perform a pwscf calculation of Iron
including spin-orbit.
I would therefore need a fully relativistic US-PP For Fe.
It would be very nice if some of you could either provide
me such US-PP or tell me how I can generate such pseudos..
thanks
cyrille
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Cyrille Barreteau | phone:+33 (0)1 69 08 29 51
CEA Saclay | fax : +33 (0)1 69 08 84 46
DSM/DRECAM/SPCSI | email: cbarreteau at cea.fr
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