LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
Code Issues Releases Wiki Activity

Commenting parts of SVO examples because issue #98 is not fixed.

Browse Source
This commit is contained in:
Manuel 2018-07-03 15:48:39 -04:00
parent 8a53a80e1e
commit 2af2bac8d6
2 changed files with 16 additions and 14 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

15
doc/guide/images_scripts/dft_dmft_cthyb.py
View File

@ -102,14 +102,15 @@ for iteration_number in range(1,loops+1):
if mpi.is_master_node(): if mpi.is_master_node():
# We can do a mixing of Delta in order to stabilize the DMFT iterations: # We can do a mixing of Delta in order to stabilize the DMFT iterations:
S.G0_iw << S.Sigma_iw + inverse(S.G_iw) S.G0_iw << S.Sigma_iw + inverse(S.G_iw)
ar = HDFArchive(dft_filename+'.h5','a') # The following lines are uncommented until issue #98 is fixed in TRIQS
if (iteration_number>1 or previous_present): # ar = HDFArchive(dft_filename+'.h5','a')
mpi.report("Mixing input Delta with factor %s"%delta_mix) # if (iteration_number>1 or previous_present):
Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw'] # mpi.report("Mixing input Delta with factor %s"%delta_mix)
S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta # Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw']
ar['dmft_output']['Delta_iw'] = delta(S.G0_iw) # S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta
# ar['dmft_output']['Delta_iw'] = delta(S.G0_iw)
S.G0_iw << inverse(S.G0_iw) S.G0_iw << inverse(S.G0_iw)
del ar # del ar
S.G0_iw << mpi.bcast(S.G0_iw) S.G0_iw << mpi.bcast(S.G0_iw)

15
doc/guide/images_scripts/dft_dmft_cthyb_slater.py
View File

@ -105,14 +105,15 @@ for iteration_number in range(1,loops+1):
if mpi.is_master_node(): if mpi.is_master_node():
# We can do a mixing of Delta in order to stabilize the DMFT iterations: # We can do a mixing of Delta in order to stabilize the DMFT iterations:
S.G0_iw << S.Sigma_iw + inverse(S.G_iw) S.G0_iw << S.Sigma_iw + inverse(S.G_iw)
ar = HDFArchive(dft_filename+'.h5','a') # The following lines are uncommented until issue #98 is fixed in TRIQS
if (iteration_number>1 or previous_present): # ar = HDFArchive(dft_filename+'.h5','a')
mpi.report("Mixing input Delta with factor %s"%delta_mix) # if (iteration_number>1 or previous_present):
Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw'] # mpi.report("Mixing input Delta with factor %s"%delta_mix)
S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta # Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw']
ar['dmft_output']['Delta_iw'] = delta(S.G0_iw) # S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta
# ar['dmft_output']['Delta_iw'] = delta(S.G0_iw)
S.G0_iw << inverse(S.G0_iw) S.G0_iw << inverse(S.G0_iw)
del ar # del ar
S.G0_iw << mpi.bcast(S.G0_iw) S.G0_iw << mpi.bcast(S.G0_iw)