From 172de04bffd8ca09ecbf4988a386254cf60e652c Mon Sep 17 00:00:00 2001 From: Priyanka Seth Date: Wed, 26 Nov 2014 13:40:12 +0100 Subject: [PATCH] Updated template script --- lda_dmft_cthyb.py | 11 ++++------- 1 file changed, 4 insertions(+), 7 deletions(-) diff --git a/lda_dmft_cthyb.py b/lda_dmft_cthyb.py index 9ca48c0b..e3ead752 100644 --- a/lda_dmft_cthyb.py +++ b/lda_dmft_cthyb.py @@ -1,18 +1,16 @@ import pytriqs.utility.mpi as mpi -from itertools import * -from pytriqs.operators import * +from pytriqs.operators.hamiltonians import * from pytriqs.archive import HDFArchive from pytriqs.applications.impurity_solvers.cthyb import * from pytriqs.gf.local import * from pytriqs.applications.dft.sumk_dft import * from pytriqs.applications.dft.converters.wien2k_converter import * -from pytriqs.applications.dft.solver_multiband import * dft_filename='Gd_fcc' U = 9.6 J = 0.8 beta = 40 -loops = 10 # Number of DMFT sc-loops +loops = 10 # Number of DMFT sc-loops sigma_mix = 1.0 # Mixing factor of Sigma after solution of the AIM delta_mix = 1.0 # Mixing factor of Delta as input for the AIM dc_type = 0 # DC type: 0 FLL, 1 Held, 2 AMF @@ -24,7 +22,6 @@ p = {} p["max_time"] = -1 p["random_name"] = "" p["random_seed"] = 123 * mpi.rank + 567 -p["verbosity"] = 3 p["length_cycle"] = 50 p["n_warmup_cycles"] = 50 p["n_cycles"] = 5000 @@ -52,8 +49,8 @@ calc_blocs = use_blocks and (not previous_present) SK=SumkDFT(hdf_file=dft_filename+'.h5',use_dft_blocks=calc_blocs) -n_orb = SK.corr_shells[0][3] -l = SK.corr_shells[0][2] +n_orb = SK.corr_shells[0]['dim'] +l = SK.corr_shells[0]['l'] spin_names = ["up","down"] orb_names = ["%s"%i for i in range(num_orbitals)] orb_hybridized = False