LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-06-25 22:52:20 +02:00
Code Issues Releases Wiki Activity

fixed bug when calling extract_G_loc for re freq without broadening

Browse Source
This commit is contained in:
Gernot J. Kraberger 2016-08-23 15:40:58 +02:00
parent 03ea26ec6f
commit d419f1a37d
1 changed files with 5 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
python/sumk_dft.py
View File

@ -29,6 +29,7 @@ from pytriqs.archive import *
from symmetry import *
from sets import Set
from itertools import product
from warnings import warn
class SumkDFT:
@ -491,6 +492,8 @@ class SumkDFT:
mesh = Sigma_imp[0].mesh
elif iw_or_w == "w":
mesh = Sigma_imp[0].mesh
if 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))
else:
if iw_or_w == "iw":
if beta is None:
@ -666,8 +669,9 @@ class SumkDFT:
G_latt = self.lattice_gf(
ik=ik, mu=mu, iw_or_w=iw_or_w, with_Sigma=with_Sigma, with_dc=with_dc, beta=beta)
elif iw_or_w == 'w':
mesh_parameters = (G_loc[0].mesh.omega_min,G_loc[0].mesh.omega_max,len(G_loc[0].mesh))
G_latt = self.lattice_gf(
ik=ik, mu=mu, iw_or_w=iw_or_w, with_Sigma=with_Sigma, with_dc=with_dc, broadening=broadening, mesh=mesh)
ik=ik, mu=mu, iw_or_w=iw_or_w, with_Sigma=with_Sigma, with_dc=with_dc, broadening=broadening, mesh=mesh_parameters)
G_latt *= self.bz_weights[ik]
for icrsh in range(self.n_corr_shells):