Generate the self-energy at a single q-point finalize to ensure that it's reasonable.
Type | Intent | Optional | Attributes | Name | ||
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class(lo_phonon_selfenergy), | intent(out) | :: | se | self energy |
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class(lo_qpoint), | intent(in) | :: | qpoint | qpoint of interest |
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type(lo_phonon_dispersions_qpoint), | intent(in) | :: | ompoint | harmonic properties at this q-point |
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type(lo_crystalstructure), | intent(in) | :: | uc | crystal structure |
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type(lo_forceconstant_secondorder), | intent(inout) | :: | fc | second order force constant |
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type(lo_forceconstant_thirdorder), | intent(in) | :: | fct | third order force constant |
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type(lo_forceconstant_fourthorder), | intent(in) | :: | fcf | fourth order force constant |
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class(lo_qpoint_mesh), | intent(in) | :: | qp | q-point mesh |
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type(lo_phonon_dispersions), | intent(in) | :: | dr | harmonic properties on this mesh |
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type(lo_opts), | intent(in) | :: | opts | all settings |
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type(lo_mpi_helper), | intent(inout) | :: | mw | MPI communicator |