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sci-libs/pslibrary

A collection of input files for the ld1.x atomic code which is distributed with the Quantum ESPRESSO package. It allows the generation of PAW data-sets or US pseudopotentials, scalar relativistic or fully relativistic, for several elements.

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  • pslibrary-9999
    H He Li Be B +C +N +O F Ne Na Mg +Al +Si P S Cl Ar K Ca Sc Ti V Cr Mn +Fe +Co +Ni +Cu Zn +Ga Ge +As Se +Br Kr Rb Sr Y Zr Nb +Mo Tc Ru Rh Pd +Ag Cd In Sn Sb Te I Xe +Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu

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    Overlay: phackerlay (layman)