Author Topic: Ionic Pseudo-potential - Fe  (Read 5438 times)

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Offline devesh

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Ionic Pseudo-potential - Fe
« on: February 14, 2012, 22:48 »
I Want a Norm conserving Pseudopotential using the scalar-relavistic
TM Scheme in KB factorised method with non linear core correction of
Iron (Fe) having 3d5 4s0 electronic configuration in UHP format for
SGGA-PBE.

Can anyone please help me with this?  ???

I know i can use Opium Generator, but as i am not still good with scripting  :( , i would request if some one can help me with this?