Extends DFPT lattice dynamics to magnetic materials with fully relativistic ultrasoft pseudopotentials via time-reversal symmetry on the Sternheimer system, validated on fcc Ni and Pt wire.
Dal Corso, Phys
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Density functional perturbation theory for lattice dynamics with fully relativistic ultrasoft pseudopotentials: the magnetic case
Extends DFPT lattice dynamics to magnetic materials with fully relativistic ultrasoft pseudopotentials via time-reversal symmetry on the Sternheimer system, validated on fcc Ni and Pt wire.