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Use rotloc matrix in add_dc only when use_rotations is True (Issue #190)
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Hermann Schnait authored and the-hampel committed Mar 8, 2022
1 parent c4db7e6 commit 9bac476
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions python/triqs_dft_tools/sumk_dft.py
Original file line number Diff line number Diff line change
Expand Up @@ -1801,8 +1801,12 @@ def add_dc(self, iw_or_w="iw"):
for icrsh in range(self.n_corr_shells):
for bname, gf in sigma_minus_dc[icrsh]:
# Transform dc_imp to global coordinate system
dccont = numpy.dot(self.rot_mat[icrsh], numpy.dot(self.dc_imp[icrsh][
bname], self.rot_mat[icrsh].conjugate().transpose()))
if self.use_rotations:
dccont = numpy.dot(self.rot_mat[icrsh], numpy.dot(self.dc_imp[icrsh][
bname], self.rot_mat[icrsh].conjugate().transpose()))
else:
dccont = self.dc_imp[icrsh][bname]

sigma_minus_dc[icrsh][bname] -= dccont

return sigma_minus_dc
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