from pytriqs.archive import * from pytriqs.gf.local import * from pytriqs.gf.local.tools import * from pytriqs.applications.dft.sumk_dft_tools import * import numpy as np # Read self energy from hdf file ar = HDFArchive('SrVO3_Sigma.h5','r') Sigma_hdf = ar['dmft_transp_input']['Sigma_w'] # Save self energy to txt files for name, s in Sigma_hdf: mesh = np.array([p for p in s.mesh]).reshape(-1,1).real re_data = s.data.real.reshape((s.data.shape[0],-1)) im_data = s.data.imag.reshape((s.data.shape[0],-1)) mesh_a_data = np.hstack((mesh,re_data,im_data)) np.savetxt('Sigma_' + name + '.dat', mesh_a_data) # Read self energy from txt files SK = SumkDFTTools(hdf_file = 'SrVO3.h5', use_dft_blocks = True) a_list = [a for a,al in SK.gf_struct_solver[0].iteritems()] g_list = [read_gf_from_txt([['Sigma_' + a + '.dat']], a) for a in a_list] Sigma_txt = BlockGf(name_list = a_list, block_list = g_list, make_copies=False) SK.set_Sigma([Sigma_txt]) SK.hdf_file = 'sigma_from_file.output.h5' SK.save(['Sigma_imp_w']) if ((Sigma_txt - Sigma_hdf).real < 1e-6) & ((Sigma_txt - Sigma_hdf).imag < 1e-6): print 'Conversion: HDF -> TRIQS -> TXT -> TRIQS successful!'