Encountered error with the tutorials of NdNiO2

[debasis919ntu]

Hi. I am trying to reproduce AFM ground state calculation for NdNiO2 using solid_dmft using the tutorials:-"https://triqs.github.io/solid_dmft/tutorials/NNO_os_plo_mag/tutorial.html". I have encountered a error using the same input. Can someone please help me to figure it out what am I missing? I have attached the log files here.

log.txt
I correctly got the PDOS plot as described in the manual. The used config.toml file is:- "[general]
seedname = "nno"
jobname = "NNO_lowT"

enforce_off_diag = false
block_threshold = 0.001

n_iw = 2001
n_tau = 20001

prec_mu = 0.001

h_int_type = "density_density"
U = 8.0
J = 1.0

temperature ~290 K

beta = 40

magnetic = true
magmom = [-0.3, 0.3]
afm_order = true

n_iter_dmft = 14

g0_mix = 0.9

dc_type = 0
dc = true
dc_dmft = false

load_sigma = false
path_to_sigma = "pre_AFM.h5"

[solver]
type = "cthyb"
length_cycle= 2000
n_warmup_cycles = 5e+3
n_cycles_tot = 1e+7
imag_threshold = 1e-5

perform_tail_fit = true
fit_max_moment = 6
fit_min_w = 10
fit_max_w = 16
measure_density_matrix = true
"

[the-hampel]

Same problem as #117 . I will answer on issue #117 This is currently a bug that I have to fix.

[the-hampel]

Hi @debasis919ntu ,

This is now fixed on both on the unstable and 3.3.x branch. The corresponding changes are in 2020a55 , d3b9e8b , b753ef6, e6bd23d . These commits also add a new test to cover this problem. The tutorial should now work again as well. I am planning to overhaul it a bit to use the triqs_ctseg solver instead of triqs_cthyb . This will speed up the calculation a lot.

To install the updates please build for now the 3.3.x branch from source. I will prepare a PyPi release shortly.