Fully relativistic pseudo potentials
Pseudo potentials generated by the TM scheme within LDA and GGA,
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).
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Fully relativistic pseudo potentials with semi core states
Pseudo potentials generated by the TM scheme within LDA and GGA,
which contain
-
partial core correction
-
fully relativistic effects including spin-orbit coupling
-
|
-
|
Pseudo atomic orbitals with semi core states
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).
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|
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|
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|
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|
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