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[feat] allow dc_imp to be a triqs Gf object (freq dependent)

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This commit is contained in:
Alexander Hampel 2023-12-12 12:32:10 -05:00
parent c54f346ba3
commit 4951b15fa4
1 changed files with 14 additions and 11 deletions
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7
python/triqs_dft_tools/sumk_dft.py
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@ -1790,8 +1790,11 @@ class SumkDFT(object):
for bname, gf in sigma_minus_dc[icrsh]: for bname, gf in sigma_minus_dc[icrsh]:
# Transform dc_imp to global coordinate system # Transform dc_imp to global coordinate system
if self.use_rotations: if self.use_rotations:
gf -= np.dot(self.rot_mat[icrsh], np.dot(self.dc_imp[icrsh][ # if dc_imp is an numpy array simple rotate by hand, otherwise assume it is a triqs Gf
bname], self.rot_mat[icrsh].conjugate().transpose())) if isinstance(self.dc_imp[icrsh][bname], np.ndarray):
gf -= np.dot(self.rot_mat[icrsh], np.dot(self.dc_imp[icrsh][bname], self.rot_mat[icrsh].conjugate().transpose()))
else:
gf -= self.rotloc(icrsh, self.dc_imp[icrsh][bname], direction='toGlobal')
else: else:
gf -= self.dc_imp[icrsh][bname] gf -= self.dc_imp[icrsh][bname]