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make mesh parameter in lattice_gf a triqs mesh object

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Jonathan Karp 2021-10-05 14:13:17 -04:00 committed by Alexander Hampel
parent 5c8071a6ac
commit 5f2a0c763e
1 changed files with 3 additions and 4 deletions
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python/triqs_dft_tools/sumk_dft.py
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@ -494,9 +494,8 @@ class SumkDFT(object):
broadening : real, optional broadening : real, optional
Imaginary shift for the axis along which the real-axis GF is calculated. Imaginary shift for the axis along which the real-axis GF is calculated.
If not provided, broadening will be set to double of the distance between mesh points in 'mesh'. If not provided, broadening will be set to double of the distance between mesh points in 'mesh'.
mesh : list, optional mesh : MeshReFreq or MeshImFreq, optional
Data defining mesh on which the real-axis GF will be calculated, given in the form Mesh to be used if with_Sigma=False. If with Sigma=False and mesh is none then self.mesh is used.
(om_min,om_max,n_points), where om_min is the minimum omega, om_max is the maximum omega and n_points is the number of points.
with_Sigma : boolean, optional with_Sigma : boolean, optional
If True the GF will be calculated with the self-energy stored in self.Sigmaimp_(w/iw), for real/Matsubara GF, respectively. If True the GF will be calculated with the self-energy stored in self.Sigmaimp_(w/iw), for real/Matsubara GF, respectively.
In this case the mesh is taken from the self.Sigma_imp object. In this case the mesh is taken from the self.Sigma_imp object.
@ -547,7 +546,7 @@ class SumkDFT(object):
if isinstance(mesh, MeshReFreq) and broadening > 0 and mpi.is_master_node(): if isinstance(mesh, MeshReFreq) and broadening > 0 and mpi.is_master_node():
warn('lattice_gf called with Sigma and broadening > 0 (broadening = {}). You might want to explicitly set the broadening to 0.'.format(broadening)) warn('lattice_gf called with Sigma and broadening > 0 (broadening = {}). You might want to explicitly set the broadening to 0.'.format(broadening))
elif not mesh is None: elif not mesh is None:
mesh = MeshReFreq(mesh[0], mesh[1], mesh[2]) assert isinstance(mesh, MreshReFreq) or isinstance(mesh, MeshImFreq), "mesh must be a triqs MeshReFreq or MeshImFreq"
else: else:
mesh = self.mesh mesh = self.mesh