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Correcting another bug in dos_*_basis

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om_mesh was wrongly determined to zero (due to integer division...)
if no Sigma was given.
This commit is contained in:
Manuel Zingl 2015-04-14 15:44:07 +02:00
parent 8d0bc912af
commit b42a51fe17
1 changed files with 4 additions and 6 deletions
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10
python/sumk_dft_tools.py
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@ -52,9 +52,8 @@ class SumkDFTTools(SumkDFT):
mesh = (om_min,om_max,n_om) mesh = (om_min,om_max,n_om)
else: else:
om_min,om_max,n_om = mesh om_min,om_max,n_om = mesh
delta_om = (om_max-om_min)/(n_om-1) om_mesh = numpy.linspace(om_min, om_max, n_om)
om_mesh = [om_min + delta_om * i for i in range(n_om)]
G_loc = [] G_loc = []
for icrsh in range(self.n_corr_shells): for icrsh in range(self.n_corr_shells):
spn = self.spin_block_names[self.corr_shells[icrsh]['SO']] spn = self.spin_block_names[self.corr_shells[icrsh]['SO']]
@ -148,9 +147,8 @@ class SumkDFTTools(SumkDFT):
mesh = (om_min,om_max,n_om) mesh = (om_min,om_max,n_om)
else: else:
om_min,om_max,n_om = mesh om_min,om_max,n_om = mesh
delta_om = (om_max-om_min)/(n_om-1) om_mesh = numpy.linspace(om_min, om_max, n_om)
om_mesh = [om_min + delta_om * i for i in range(n_om)]
G_loc = [] G_loc = []
spn = self.spin_block_names[self.SO] spn = self.spin_block_names[self.SO]
gf_struct_parproj = [ [ (sp, range(self.shells[ish]['dim'])) for sp in spn ] gf_struct_parproj = [ [ (sp, range(self.shells[ish]['dim'])) for sp in spn ]