################################################################################ # # TRIQS: a Toolbox for Research in Interacting Quantum Systems # # Copyright (C) 2011 by M. Aichhorn, L. Pourovskii, V. Vildosola # # TRIQS is free software: you can redistribute it and/or modify it under the # terms of the GNU General Public License as published by the Free Software # Foundation, either version 3 of the License, or (at your option) any later # version. # # TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # # You should have received a copy of the GNU General Public License along with # TRIQS. If not, see . # ################################################################################ from pytriqs.archive import * from pytriqs.applications.dft.sumk_lda import * from pytriqs.applications.dft.converters.wien2k_converter import * from pytriqs.applications.impurity_solvers.cthyb import * from pytriqs.operators.hamiltonians import set_operator_structure # Basic input parameters beta = 40 # Init the SumK class SK=SumkLDA(hdf_file='SrVO3.h5',use_lda_blocks=True) num_orbitals = SK.corr_shells[0][3] l = SK.corr_shells[0][2] spin_names = ["up","down"] orb_names = ["%s"%i for i in range(num_orbitals)] orb_hybridized = False S = Solver(beta=beta, gf_struct=set_operator_structure(spin_names,orb_names,orb_hybridized)) SK.put_Sigma([S.Sigma_iw]) Gloc=SK.extract_G_loc() ar = HDFArchive('srvo3_Gloc.output.h5','w') ar['Gloc'] = Gloc[0] del ar