QuantumATK Forum
QuantumATK => Scripts, Tutorials and Applications => Topic started by: devesh on February 14, 2012, 22:48
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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?