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For my calculation, I need fully relativistic LDA Norm conserving pseudopotential. I have searched for this in the existing library like PseudoDojo, SSSP, SG15, PSLibrary etc., but failed. However, I am getting fully relativistic ultrasoft LDA pseudopotentials. Does anybody know where to get fully relativistic LDA pseudos?

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This GitHub repository collects optimized norm-conserving Vanderbilt pseudopotentials, both scalar and full relativistic, generated from LDA, PBE, and PBEsol. Looks like for LDA you can use either the Sg15 or Abinit ones!

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