5.11. 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. | |
Evaluate GTH projector functions in G-space. | |
Initialize parameters to calculate local contributions of GTH pseudopotentials. | |
Initialize parameters to calculate non-local contributions of GTH pseudopotentials. |