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The dmft_config.toml is the following :
#############
[general]
seedname = "svo"
jobname = "out"
enforce_off_diag = true
block_threshold = 0.001
prec_mu = 0.001
h_int_type = "kanamori"
U = 2.0
J = 0.65
mu_initial_guess = 12.297745
beta = 40
n_iter_dmft = 8
dc_type = 1
dc = true
dc_dmft = false
calc_energies = false
sigma_mix = 1.0
h5_save_freq = 2
[solver]
type = "cthyb"
n_l = 35
length_cycle = 120
n_warmup_cycles = 8000
n_cycles_tot = 10e+6
imag_threshold = 1e-5
measure_G_l = true
perform_tail_fit = false
############
So, how can I get an accurate svo.h5 like svo_example.h5?
Question2:
I tried to plot the self-energy of the above svo.h5 with the 01s-solid_dmft.py in this tutorial. https://github.com/TRIQS/tutorials/blob/3.3.x/AbinitioDMFT/solutions/01s-solid_dmft.ipynb
But the results were confusing.
I guess this because there are three orbitals (dxy,dxz,dyz) in svo system. How can I plot the self-energy in the svo system?
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Dear Alex and all,
Question1:
I want to plot the spectral function with this tutorial https://triqs.github.io/solid_dmft/tutorials/correlated_bandstructure/plot_correlated_bands.html.
I can run the Python script successfully using the svo_example.h5 file.https://github.com/TRIQS/solid_dmft/tree/3.3.x/doc/tutorials/correlated_bandstructure.
However, there is an error if I run the solid_dmft with these input documents to get svo.h5. https://github.com/TRIQS/solid_dmft/tree/3.3.x/doc/tutorials/SVO_os_qe
input.zip
The dmft_config.toml is the following :
#############
[general]
seedname = "svo"
jobname = "out"
enforce_off_diag = true
block_threshold = 0.001
prec_mu = 0.001
h_int_type = "kanamori"
U = 2.0
J = 0.65
mu_initial_guess = 12.297745
beta = 40
n_iter_dmft = 8
dc_type = 1
dc = true
dc_dmft = false
calc_energies = false
sigma_mix = 1.0
h5_save_freq = 2
[solver]
type = "cthyb"
n_l = 35
length_cycle = 120
n_warmup_cycles = 8000
n_cycles_tot = 10e+6
imag_threshold = 1e-5
measure_G_l = true
perform_tail_fit = false
############
So, how can I get an accurate svo.h5 like svo_example.h5?
Question2:
I tried to plot the self-energy of the above svo.h5 with the 01s-solid_dmft.py in this tutorial. https://github.com/TRIQS/tutorials/blob/3.3.x/AbinitioDMFT/solutions/01s-solid_dmft.ipynb
But the results were confusing.
I guess this because there are three orbitals (dxy,dxz,dyz) in svo system. How can I plot the self-energy in the svo system?
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