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Commenting parts of SVO examples because issue #98 is not fixed.
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@ -102,14 +102,15 @@ for iteration_number in range(1,loops+1):
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if mpi.is_master_node():
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if mpi.is_master_node():
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# We can do a mixing of Delta in order to stabilize the DMFT iterations:
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# We can do a mixing of Delta in order to stabilize the DMFT iterations:
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S.G0_iw << S.Sigma_iw + inverse(S.G_iw)
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S.G0_iw << S.Sigma_iw + inverse(S.G_iw)
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ar = HDFArchive(dft_filename+'.h5','a')
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# The following lines are uncommented until issue #98 is fixed in TRIQS
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if (iteration_number>1 or previous_present):
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# ar = HDFArchive(dft_filename+'.h5','a')
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mpi.report("Mixing input Delta with factor %s"%delta_mix)
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# if (iteration_number>1 or previous_present):
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Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw']
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# mpi.report("Mixing input Delta with factor %s"%delta_mix)
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S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta
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# Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw']
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ar['dmft_output']['Delta_iw'] = delta(S.G0_iw)
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# S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta
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# ar['dmft_output']['Delta_iw'] = delta(S.G0_iw)
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S.G0_iw << inverse(S.G0_iw)
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S.G0_iw << inverse(S.G0_iw)
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del ar
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# del ar
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S.G0_iw << mpi.bcast(S.G0_iw)
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S.G0_iw << mpi.bcast(S.G0_iw)
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@ -105,14 +105,15 @@ for iteration_number in range(1,loops+1):
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if mpi.is_master_node():
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if mpi.is_master_node():
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# We can do a mixing of Delta in order to stabilize the DMFT iterations:
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# We can do a mixing of Delta in order to stabilize the DMFT iterations:
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S.G0_iw << S.Sigma_iw + inverse(S.G_iw)
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S.G0_iw << S.Sigma_iw + inverse(S.G_iw)
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ar = HDFArchive(dft_filename+'.h5','a')
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# The following lines are uncommented until issue #98 is fixed in TRIQS
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if (iteration_number>1 or previous_present):
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# ar = HDFArchive(dft_filename+'.h5','a')
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mpi.report("Mixing input Delta with factor %s"%delta_mix)
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# if (iteration_number>1 or previous_present):
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Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw']
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# mpi.report("Mixing input Delta with factor %s"%delta_mix)
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S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta
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# Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw']
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ar['dmft_output']['Delta_iw'] = delta(S.G0_iw)
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# S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta
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# ar['dmft_output']['Delta_iw'] = delta(S.G0_iw)
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S.G0_iw << inverse(S.G0_iw)
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S.G0_iw << inverse(S.G0_iw)
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del ar
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# del ar
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S.G0_iw << mpi.bcast(S.G0_iw)
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S.G0_iw << mpi.bcast(S.G0_iw)
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