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345fd14a39
dft_tools/test/python/w90_optics
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phibeck 345fd14a39 feat: optical prop with Wannier90 and WannierBerri 
All existing transport features from SumkDFTTools are now integrated in sumk_dft_transport.py as functions.

    feat: new code = "wannier90"
    refactor: free functions instead of sum_k members

If code is chosen as wannier90:

    feat: compute transport function
    feat: compute OC in Wannier or Hamiltonian basis
    feat: compute intra- and interband contributions separately in OC
2023-03-23 12:24:38 -04:00
..
sro_hr.dat feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
sro.chk feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
sro.eig feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
sro.inp feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
sro.mmn feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00
sro.wout feat: optical prop with Wannier90 and WannierBerri 2023-03-23 12:24:38 -04:00