mu_initial_guess

[KeyuAN95]

Dear Alex and all,

I run the solid_dmft with the following dmft_config.toml:
#######################################
[general]
seedname = "test_wannier"
jobname = "U3.1"
beta = 40
n_iw = 251
n_tau = 5001
n_iter_dmft = 10
prec_mu = 0.0001
mu_initial_guess = 13.3115
h_int_type = "kanamori"
U = 3.1
J = 0.0

dc_type = 0
dc_dmft = false
h5_save_freq = 1
[solver]
type = "cthyb"
length_cycle = 60
n_warmup_cycles = 1e+4
n_cycles_tot = 2e+6
imag_threshold = 1e-6
measure_density_matrix = true
delta_interface=true
perform_tail_fit = true
####################################
it | mu | G(beta/2) per orbital | orbital occs up+down | impurity occ
0 | 0.55267 | -0.04555 -0.06437 | 0.98401 0.97000 | 1.95402
1 | 0.55267 | -0.04519 -0.06516 | 1.00095 0.95128 | 1.95223
2 | 0.54320 | -0.04623 -0.06262 | 0.97786 0.95671 | 1.93457
3 | 0.54569 | -0.04363 -0.06560 | 0.96887 0.94197 | 1.91084
4 | 0.55155 | -0.04418 -0.06334 | 0.98258 0.95281 | 1.93539
5 | 0.56119 | -0.04419 -0.06583 | 0.96832 0.94570 | 1.91402
6 | 0.56700 | -0.04438 -0.06588 | 0.96992 0.95199 | 1.92191
7 | 0.57212 | -0.04386 -0.06572 | 0.99978 0.98294 | 1.98273
8 | 0.56013 | -0.04249 -0.06476 | 0.99534 0.94508 | 1.94041
9 | 0.56597 | -0.04259 -0.06269 | 0.97671 0.96611 | 1.94282
10 | 0.56296 | -0.04551 -0.06560 | 0.99362 0.97021 | 1.96383
11 | 0.55860 | -0.04308 -0.06911 | 0.97626 0.95802 | 1.93428
12 | 0.54908 | -0.04250 -0.06567 | 0.99067 0.96105 | 1.95172
13 | 0.54729 | -0.04468 -0.06503 | 0.98642 0.94993 | 1.93635
14 | 0.54440 | -0.04401 -0.06558 | 0.97823 0.95619 | 1.93442
15 | 0.54615 | -0.04377 -0.06541 | 0.98066 0.94751 | 1.92818
16 | 0.54934 | -0.04522 -0.06455 | 0.97793 0.95845 | 1.93638
17 | 0.55049 | -0.04417 -0.06407 | 0.97252 0.95499 | 1.92751
18 | 0.55487 | -0.04380 -0.06579 | 0.96830 0.96988 | 1.93818
19 | 0.55017 | -0.04273 -0.06703 | 0.96811 0.94844 | 1.91655
20 | 0.55858 | -0.04452 -0.06304 | 0.96412 0.94878 | 1.91291
21 | 0.55739 | -0.04497 -0.06566 | 0.98887 0.96901 | 1.95788
22 | 0.55346 | -0.04397 -0.06506 | 0.98979 0.95225 | 1.94204
23 | 0.55253 | -0.04305 -0.06582 | 0.97203 0.94926 | 1.92129
24 | 0.55842 | -0.04342 -0.06513 | 0.97468 0.96106 | 1.93574
25 | 0.56121 | -0.04355 -0.06468 | 0.98758 0.94158 | 1.92915
26 | 0.56668 | -0.04331 -0.06546 | 0.98298 0.94715 | 1.93013
27 | 0.56503 | -0.04498 -0.06393 | 0.98962 0.93672 | 1.92634
28 | 0.56664 | -0.04342 -0.06412 | 1.00418 0.95557 | 1.95975
29 | 0.56685 | -0.04350 -0.06405 | 0.98903 0.94795 | 1.93698
30 | 0.56777 | -0.04442 -0.06585 | 0.98341 0.96469 | 1.94809
##################################################################################
After the running, the chemical potential μ did not converge to a fixed value. How can I deal with this?

[KeyuAN95]

I can achieve convergence of the chemical potential mu to a fixed value by removing the Fermi energy in .inp.