Fully relativistic pseudopotentials
Fully relativistic pseudopotentials (for s, p and d-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 Si_CA.vps and Si_PBE.vps include the 3s
and 3p states (4 electrons) as the valence states, the minimal basis set is Si*.*-s1p1.
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