5.12. gthΒΆ
Utilities to use Goedecker, Teter, and Hutter pseudopotentials.
Classes
GTH object that holds non-local projectors and parameters for all atoms in the SCF object. |
Functions
Calculate the non-local pseudopotential, applied on the basis functions W. |
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Evaluate GTH projector functions in G-space. |
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Initialize parameters to calculate local contributions of GTH pseudopotentials. |
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Initialize parameters to calculate non-local contributions of GTH pseudopotentials. |