All pull requests

Pull requests

• [wien2k] fix dmftproj port for non-centrosymmetric cells

  #19·krystophny opened Jun 24, 2026·

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• [wien2k] rotate the symmetry matrices into the local solver frame (dft_tools#148)

  #18·krystophny opened Jun 24, 2026·

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• [wien2k] fix improper-rotation parity for odd l; cover p and f shells

  #16·krystophny opened Jun 16, 2026·

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• [wien2k] port and verify the non-spin-orbit (ifSO=0) path

  #15·krystophny opened Jun 16, 2026·

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• [dmftproj] eliminate single-precision loss in the projector construction

  #14·krystophny opened Jun 16, 2026·

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• [wien2k] pure-Python dmftproj driver; remove the Fortran executable

  #13·krystophny opened Jun 16, 2026·

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• [wien2k] complete the port to machine precision: shared module, fromfile, proj_mode, outband

  #12·krystophny opened Jun 16, 2026·

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• [wien2k] pure-Python case.parproj partial projectors

  #11·krystophny opened Jun 16, 2026·

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• [wien2k] pure-Python case.sympar partial-shell symmetry matrices

  #10·krystophny opened Jun 16, 2026·

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• [wien2k] pure-Python case.ctqmcout correlated-shell projectors

  #9·krystophny opened Jun 16, 2026·

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