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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fully 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 (=0,1,2,3,4).
Since Hg_CA.vps and Hg_PBE.vps include the 5p, 5d, and 6s states (18 electrons)
as the valence states, the minimal basis set is Hg*.*-s1p1d1.
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