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-9999H 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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Browse License: GPL-2 Overlay: phackerlay
ChangeLog
commit 68989b7692217049c7173cbe5ac0a26db082ffba
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Tue Jul 20 21:12:22 2021 +0300
quantum-espresso
commit be8e9e255d942538293d6c59408ff53b9e063fed
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sun Jun 7 20:55:52 2020 +0300
fixes + slurm-magic
Author: Alexander B. Ustinov <ustinov@phys-el.ru>
Date: Tue Jul 20 21:12:22 2021 +0300
quantum-espresso
commit be8e9e255d942538293d6c59408ff53b9e063fed
Author: Alexander B. Ustinov <ustinov@physics.spbstu.ru>
Date: Sun Jun 7 20:55:52 2020 +0300
fixes + slurm-magic