triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup
- class triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup(gr_pars, shells, eigvals)[source]
Container of projectors defined within a certain energy window.
The constructor selects a subset of projectors according to the parameters from the config-file (passed in pars).
- Parameters:
gr_pars (dict) : group parameters from the config-file
shells ([ProjectorShell]) : array of ProjectorShell objects
eigvals (numpy.array) : array of KS eigenvalues
Methods
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Constructor |
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Calculate the complement for a group of projectors. |
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Calculate H(k) for a group by applying the projectors P to the eigenvalues eps. |
Generates a map from a set of projectors belonging to different shells and ions onto a set of block projector matrices, each of which is orthonormalized. |
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Determines the total number of electrons within the window. |
Orthogonalize a group of projectors. |
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Orthogonalizes a projector defined by a rectangular matrix p_matrix. |
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Select a subset of bands lying within a given energy window. |