Fully relativistic pseudopotentials
Fully relativistic pseudopotentials (for s-, p-, d-, and f-states) generated
by the TM and Hamman's scheme within LDA (CA) and GGA (PBE) which contain
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partial core correction
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full relativistic effects including spin-orbit coupling
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Pseudo-atomic orbitals
The number below the symbol means a cutoff radius (a.u.) of the confinement
potential. These file includes five radial parts for each angular
momentum quantum number l (=0,1,2,3). Since Fe_CA.vps and Fe_PBE.vps include the 3p,
3d, and 4s states (14 electrons) as the valence states, the minimal basis
set is Fe*.*-s1p1d1.
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