triqs_dftkit.wien2k
Wien2k converter and driver for DFT+DMFT calculations
Modules
Wien2k converter |
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WIEN2k driver for TRIQS+DFT workflow automation. |
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Pure-Python generation of the dmftproj band-window file (case.oubwin), replacing the corresponding output of the dmftproj Fortran executable. |
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Pure-Python generation of the dmftproj correlated-shell symmetry file (case.symqmc), replacing the corresponding output of the dmftproj Fortran executable. |