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small fix to dft_dmft_cthyb.py

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This commit is contained in:
Priyanka Seth 2015-08-03 16:40:39 +02:00
parent b6e33ecc23
commit 8911eac67c
1 changed files with 6 additions and 0 deletions
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6
dft_dmft_cthyb.py
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@ -60,10 +60,16 @@ h_int = h_int_density(spin_names, orb_names, map_operator_structure=SK.sumk_to_s
S = Solver(beta=beta, gf_struct=gf_struct) S = Solver(beta=beta, gf_struct=gf_struct)
if previous_present: if previous_present:
chemical_potential = 0
dc_imp = 0
dc_energ = 0
if mpi.is_master_node(): if mpi.is_master_node():
S.Sigma_iw << HDFArchive(dft_filename+'.h5','a')['dmft_output']['Sigma_iw'] S.Sigma_iw << HDFArchive(dft_filename+'.h5','a')['dmft_output']['Sigma_iw']
chemical_potential,dc_imp,dc_energ = SK.load(['chemical_potential','dc_imp','dc_energ']) chemical_potential,dc_imp,dc_energ = SK.load(['chemical_potential','dc_imp','dc_energ'])
S.Sigma_iw << mpi.bcast(S.Sigma_iw) S.Sigma_iw << mpi.bcast(S.Sigma_iw)
chemical_potential = mpi.bcast(chemical_potential)
dc_imp = mpi.bcast(dc_imp)
dc_energ = mpi.bcast(dc_energ)
SK.set_mu(chemical_potential) SK.set_mu(chemical_potential)
SK.set_dc(dc_imp,dc_energ) SK.set_dc(dc_imp,dc_energ)