A spin-polarized energy density method derived from spin-density functional theory decomposes total energies into atomic contributions and is implemented in VASP for applications to paramagnetic Fe and Ni-doped GaN.
Katayama-Yoshida and K
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Spin-polarized Energy Density Method from Spin-Density Functional Theory
A spin-polarized energy density method derived from spin-density functional theory decomposes total energies into atomic contributions and is implemented in VASP for applications to paramagnetic Fe and Ni-doped GaN.