SrVO3

[Reyhanehe]

Dear all

Hi

I executed DFT+DMFT calculation for SrVO3 compound . At the end of each itration I have the below context when I used "cat nohup.out" in the folder that I run the DFT+DMFT calculation for SrVO3 on it , for example foe itration 21 I have :

*"Iteration = 21 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.204657
Total Density = 12.937535 0.295343 < Chemical Potential < -0.204657 13.092914 < Total Density < 12.937535 0.295343 < Chemical Potential < 0.294309 13.092914 < Total Density < 13.092523 Chemical Potential found in 2 iterations : Total Density = 13.092523;Chemical Potential = 0.294309 Total charge of Gloc : 1.095606 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.49783C^+(down_0,0)C(down_0,0) + -5.49783C^+(down_1,0)C(down_1,0) + -5.49783C^+(down_2,0)C(down_2,0) + -5.49783C^+(up_0,0)C(up_0,0) + -5.49783C^+(up_1,0)C(up_1,0) + -5.49783C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; Insert error : recovering ... 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; Insert error : recovering ... 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0111467 Move Insert Delta_down_0: 0.0109014 Move Insert Delta_down_1: 0.0109503 Move Insert Delta_down_2: 0.0110411 Move Insert Delta_up_0: 0.0113811 Move Insert Delta_up_1: 0.0111705 Move Insert Delta_up_2: 0.0114359 Move set Remove two operators: 0.0111465 Move Remove Delta_down_0: 0.0109043 Move Remove Delta_down_1: 0.0109496 Move Remove Delta_down_2: 0.0110389 Move Remove Delta_up_0: 0.0113763 Move Remove Delta_up_1: 0.0111686 Move Remove Delta_up_2: 0.0114414 Move Shift one operator: 0.170339 [Node 0] Simulation lasted: 3188 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.107030 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.784678 DC for shell 0 and block down = 5.784678 DC energy for shell 0 = 0.766440115718"**

Is it error in my calculation or not?

if "yes" how can I solve this problem?

.I need to know this subject as soon as possible .

thanks to all for your attention to my request

best

[the-hampel]

Hi Reyhanehe,

You mean the "insert error"? That should be nothing to be concerned about. Strictly speaking this is something related to the cthyb solver and not to DFTTools I guess. Anyway, as you can see here in line 70: https://github.com/TRIQS/cthyb/blob/cb64b596314344e3f59249cbd0816366a5252516/c%2B%2B/triqs_cthyb/moves/insert.cpp , it can happen that the solver can't "do" a certain move, even if it is accepted. Than the error above occurs and the move needs to be rejected... If it only happens a few times in millions of accepted moves that should be fine. Or is there another Error that I didn't see here? - Best Alex

[Reyhanehe]

Dear Alex. thanks for your comment. I had not another error in my calculation.but these lines are repeated in each itration:

"Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0111467 Move Insert Delta_down_0: 0.0109014 Move Insert Delta_down_1: 0.0109503 Move Insert Delta_down_2: 0.0110411 Move Insert Delta_up_0: 0.0113811 Move Insert Delta_up_1: 0.0111705 Move Insert Delta_up_2: 0.0114359 Move set Remove two operators: 0.0111465 Move Remove Delta_down_0: 0.0109043 Move Remove Delta_down_1: 0.0109496 Move Remove Delta_down_2: 0.0110389 Move Remove Delta_up_0: 0.0113763 Move Remove Delta_up_1: 0.0111686 Move Remove Delta_up_2: 0.0114414 Move Shift one operator: 0.170339"

I use the below "case.py" for my calculation:

" U = 9.6 J = 0.8 beta = 40 loops = 400 # 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 use_blocks = True # use bloc structure from DFT input prec_mu = 0.0001 h_field = 0.0

Solver parameters

p = {} p["max_time"] = -1 p["random_seed"] = 123 * mpi.rank + 567 p["length_cycle"] = 200 p["n_warmup_cycles"] = 100000 p["n_cycles"] = 1000000 p["perform_tail_fit"] = True p["fit_max_moment"] = 4 p["fit_min_n"] = 30 p["fit_max_n"] = 60

Converter = Wien2kConverter(filename=dft_filename, repacking=True) Converter.convert_dft_input() mpi.barrier()

previous_runs = 0 previous_present = False if mpi.is_master_node(): f = HDFArchive(dft_filename+'.h5','a') if 'dmft_output' in f: ar = f['dmft_output'] if 'iterations' in ar: previous_present = True previous_runs = ar['iterations'] else: f.create_group('dmft_output') del f previous_runs = mpi.bcast(previous_runs) previous_present = mpi.bcast(previous_present)

SK=SumkDFT(hdf_file=dft_filename+'.h5',use_dft_blocks=use_blocks,h_field=h_field)

n_orb = SK.corr_shells[0]['dim'] l = SK.corr_shells[0]['l'] spin_names = ["up","down"] orb_names = [i for i in range(n_orb)]

Use GF structure determined by DFT blocks

gf_struct = SK.gf_struct_solver[0]

Construct U matrix for density-density calculations

Umat, Upmat = U_matrix_kanamori(n_orb=n_orb, U_int=U, J_hund=J) ... ... ... if previous_present: chemical_potential = 0 dc_imp = 0 dc_energ = 0 if mpi.is_master_node(): S.Sigma_iw << HDFArchive(dft_filename+'.h5','a')['dmft_output']['Sigma_iw'] chemical_potential,dc_imp,dc_energ = SK.load(['chemical_potential','dc_imp','dc_energ']) S.Sigma_iw << mpi.bcast(S.Sigma_iw) chemical_potential = mpi.bcast(chemical_potential) dc_imp = mpi.bcast(dc_imp) dc_energ = mpi.bcast(dc_energ) SK.set_mu(chemical_potential) SK.set_dc(dc_imp,dc_energ)

... .... ... ... .... if mpi.is_master_node(): ar = HDFArchive("dftdmft.h5",'w') ar["G_tau"] = S.G_tau ar["G_iw"] = S.G_iw ar["Sigma_iw"] = S.Sigma_iw "

and after running it , the results of my calculation for 21 itrations are:

"Starting on 1 Nodes at : 2018-08-26 12:09:13.269087 Reading input from 5.ctqmcout... Reading input from 5.symqmc... Reading input from 5.oubwin... Reading input from 5.struct... Reading input from 5.outputs... Iteration = 1 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.500000
Total Density = 12.328482 0.000000 < Chemical Potential < -0.500000 13.158315 < Total Density < 12.328482 0.000000 < Chemical Potential < -0.039600 13.158315 < Total Density < 13.052260 -0.024540 < Chemical Potential < -0.039600 13.093337 < Total Density < 13.052260 -0.024540 < Chemical Potential < -0.024813 13.093337 < Total Density < 13.092589 Chemical Potential found in 4 iterations : Total Density = 13.092589;Chemical Potential = -0.024813 Total charge of Gloc : 1.140228 DC for shell 0 and block up = 6.090100 DC for shell 0 and block down = 6.090100 DC energy for shell 0 = 0.963549945341 The local Hamiltonian of the problem: -5.39341C^+(down_0,0)C(down_0,0) + -5.39341C^+(down_1,0)C(down_1,0) + -5.39341C^+(down_2,0)C(down_2,0) + -5.39341C^+(up_0,0)C(up_0,0) + -5.39341C^+(up_1,0)C(up_1,0) + -5.39341C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; Insert error : recovering ... 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0130775 Move Insert Delta_down_0: 0.0130632 Move Insert Delta_down_1: 0.013071 Move Insert Delta_down_2: 0.0130685 Move Insert Delta_up_0: 0.013062 Move Insert Delta_up_1: 0.0130857 Move Insert Delta_up_2: 0.0131148 Move set Remove two operators: 0.0130772 Move Remove Delta_down_0: 0.0130666 Move Remove Delta_down_1: 0.0130703 Move Remove Delta_down_2: 0.0130653 Move Remove Delta_up_0: 0.0130567 Move Remove Delta_up_1: 0.0130832 Move Remove Delta_up_2: 0.0131211 Move Shift one operator: 0.291877 [Node 0] Simulation lasted: 4800 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.188300 DC for shell 0 and block up = 6.532356 DC for shell 0 and block down = 6.532356 DC energy for shell 0 = 1.26693880701 Iteration = 2 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.524813
Total Density = 12.969095 -0.024813 < Chemical Potential < -0.524813 13.419197 < Total Density < 12.969095 -0.024813 < Chemical Potential < -0.387624 13.419197 < Total Density < 13.074584 -0.024813 < Chemical Potential < -0.368664 13.419197 < Total Density < 13.090595 -0.024813 < Chemical Potential < -0.366575 13.419197 < Total Density < 13.092382 -0.024813 < Chemical Potential < -0.366355 13.419197 < Total Density < 13.092570 Chemical Potential found in 5 iterations : Total Density = 13.092570;Chemical Potential = -0.366355 Total charge of Gloc : 1.114400 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.49412C^+(down_0,0)C(down_0,0) + -5.49412C^+(down_1,0)C(down_1,0) + -5.49412C^+(down_2,0)C(down_2,0) + -5.49412C^+(up_0,0)C(up_0,0) + -5.49412C^+(up_1,0)C(up_1,0) + -5.49412C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0122488 Move Insert Delta_down_0: 0.0122253 Move Insert Delta_down_1: 0.0122341 Move Insert Delta_down_2: 0.0121171 Move Insert Delta_up_0: 0.0123314 Move Insert Delta_up_1: 0.0123454 Move Insert Delta_up_2: 0.0122396 Move set Remove two operators: 0.0122487 Move Remove Delta_down_0: 0.0122287 Move Remove Delta_down_1: 0.0122335 Move Remove Delta_down_2: 0.0121142 Move Remove Delta_up_0: 0.0123264 Move Remove Delta_up_1: 0.0123432 Move Remove Delta_up_2: 0.0122461 Move Shift one operator: 0.22799 [Node 0] Simulation lasted: 3895 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.156437 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 6.239220 DC for shell 0 and block down = 6.239220 DC energy for shell 0 = 1.06347082497 Iteration = 3 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.133645
Total Density = 13.252744 -0.366355 < Chemical Potential < 0.133645 12.952715 < Total Density < 13.252744 -0.133248 < Chemical Potential < 0.133645 13.074995 < Total Density < 13.252744 -0.106826 < Chemical Potential < 0.133645 13.090737 < Total Density < 13.252744 -0.104072 < Chemical Potential < 0.133645 13.092400 < Total Density < 13.252744 -0.103788 < Chemical Potential < 0.133645 13.092573 < Total Density < 13.252744 Chemical Potential found in 5 iterations : Total Density = 13.092573;Chemical Potential = -0.103788 Total charge of Gloc : 1.101801 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.46355C^+(down_0,0)C(down_0,0) + -5.46355C^+(down_1,0)C(down_1,0) + -5.46355C^+(down_2,0)C(down_2,0) + -5.46355C^+(up_0,0)C(up_0,0) + -5.46355C^+(up_1,0)C(up_1,0) + -5.46355C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0117447 Move Insert Delta_down_0: 0.011601 Move Insert Delta_down_1: 0.0116709 Move Insert Delta_down_2: 0.0117808 Move Insert Delta_up_0: 0.011737 Move Insert Delta_up_1: 0.0118238 Move Insert Delta_up_2: 0.011855 Move set Remove two operators: 0.0117444 Move Remove Delta_down_0: 0.0116036 Move Remove Delta_down_1: 0.0116702 Move Remove Delta_down_2: 0.0117778 Move Remove Delta_up_0: 0.0117322 Move Remove Delta_up_1: 0.0118219 Move Remove Delta_up_2: 0.0118607 Move Shift one operator: 0.19752 [Node 0] Simulation lasted: 3564 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.132791 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 6.021678 DC for shell 0 and block down = 6.021678 DC energy for shell 0 = 0.918511050657 Iteration = 4 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.396212
Total Density = 13.292204 -0.103788 < Chemical Potential < 0.396212 13.047279 < Total Density < 13.292204 -0.011282 < Chemical Potential < 0.396212 13.084536 < Total Density < 13.292204 0.004525 < Chemical Potential < 0.396212 13.091236 < Total Density < 13.292204 0.007170 < Chemical Potential < 0.396212 13.092366 < Total Density < 13.292204 0.007610 < Chemical Potential < 0.396212 13.092555 < Total Density < 13.292204 Chemical Potential found in 5 iterations : Total Density = 13.092555;Chemical Potential = 0.007610 Total charge of Gloc : 1.099088 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.35741C^+(down_0,0)C(down_0,0) + -5.35741C^+(down_1,0)C(down_1,0) + -5.35741C^+(down_2,0)C(down_2,0) + -5.35741C^+(up_0,0)C(up_0,0) + -5.35741C^+(up_1,0)C(up_1,0) + -5.35741C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; Insert error : recovering ... 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0112577 Move Insert Delta_down_0: 0.0112262 Move Insert Delta_down_1: 0.0113392 Move Insert Delta_down_2: 0.0110511 Move Insert Delta_up_0: 0.0112778 Move Insert Delta_up_1: 0.0114474 Move Insert Delta_up_2: 0.0112047 Move set Remove two operators: 0.0112574 Move Remove Delta_down_0: 0.0112287 Move Remove Delta_down_1: 0.0113387 Move Remove Delta_down_2: 0.0110487 Move Remove Delta_up_0: 0.0112728 Move Remove Delta_up_1: 0.0114455 Move Remove Delta_up_2: 0.0112099 Move Shift one operator: 0.175687 [Node 0] Simulation lasted: 2900 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: -1 Total charge of impurity problem : 1.100669 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.726156 DC for shell 0 and block down = 5.726156 DC energy for shell 0 = 0.729829716833 Iteration = 5 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.507610
Total Density = 13.252924 0.007610 < Chemical Potential < 0.507610 13.059124 < Total Density < 13.252924 0.093957 < Chemical Potential < 0.507610 13.088435 < Total Density < 13.252924 0.104412 < Chemical Potential < 0.507610 13.092086 < Total Density < 13.252924 0.105682 < Chemical Potential < 0.507610 13.092531 < Total Density < 13.252924 Chemical Potential found in 4 iterations : Total Density = 13.092531;Chemical Potential = 0.105682 Total charge of Gloc : 1.090465 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.15996C^+(down_0,0)C(down_0,0) + -5.15996C^+(down_1,0)C(down_1,0) + -5.15996C^+(down_2,0)C(down_2,0) + -5.15996C^+(up_0,0)C(up_0,0) + -5.15996C^+(up_1,0)C(up_1,0) + -5.15996C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.010982 Move Insert Delta_down_0: 0.0109147 Move Insert Delta_down_1: 0.0108353 Move Insert Delta_down_2: 0.0110854 Move Insert Delta_up_0: 0.0107423 Move Insert Delta_up_1: 0.0111642 Move Insert Delta_up_2: 0.0111501 Move set Remove two operators: 0.0109819 Move Remove Delta_down_0: 0.0109179 Move Remove Delta_down_1: 0.0108349 Move Remove Delta_down_2: 0.0110831 Move Remove Delta_up_0: 0.0107378 Move Remove Delta_up_1: 0.0111627 Move Remove Delta_up_2: 0.0111552 Move Shift one operator: 0.164705 [Node 0] Simulation lasted: 2897 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.092963 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.655263 DC for shell 0 and block down = 5.655263 DC energy for shell 0 = 0.685978536929 Iteration = 6 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.394318
Total Density = 13.149359 Chemical Potential = -0.894318
Total Density = 12.989935 0.105682 < Chemical Potential < -0.894318 13.344924 < Total Density < 12.989935 0.105682 < Chemical Potential < -0.605134 13.344924 < Total Density < 13.078143 0.105682 < Chemical Potential < -0.566635 13.344924 < Total Density < 13.090694 0.105682 < Chemical Potential < -0.561614 13.344924 < Total Density < 13.092345 0.105682 < Chemical Potential < -0.560961 13.344924 < Total Density < 13.092560 Chemical Potential found in 6 iterations : Total Density = 13.092560;Chemical Potential = -0.560961 Total charge of Gloc : 1.091311 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -4.42242C^+(down_0,0)C(down_0,0) + -4.42242C^+(down_1,0)C(down_1,0) + -4.42242C^+(down_2,0)C(down_2,0) + -4.42242C^+(up_0,0)C(up_0,0) + -4.42242C^+(up_1,0)C(up_1,0) + -4.42242C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; Insert error : recovering ... 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0108917 Move Insert Delta_down_0: 0.0112737 Move Insert Delta_down_1: 0.0114066 Move Insert Delta_down_2: 0.011266 Move Insert Delta_up_0: 0.0107405 Move Insert Delta_up_1: 0.00993039 Move Insert Delta_up_2: 0.0107334 Move set Remove two operators: 0.0108917 Move Remove Delta_down_0: 0.0112771 Move Remove Delta_down_1: 0.011406 Move Remove Delta_down_2: 0.0112632 Move Remove Delta_up_0: 0.0107362 Move Remove Delta_up_1: 0.0099293 Move Remove Delta_up_2: 0.0107388 Move Shift one operator: 0.161572 [Node 0] Simulation lasted: 3102 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.085711 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.588543 DC for shell 0 and block down = 5.588543 DC energy for shell 0 = 0.645207366997 Iteration = 7 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.060961
Total Density = 12.180859 Chemical Potential = 0.439039
Total Density = 12.242264 Chemical Potential = 0.939039
Total Density = 12.686299 Chemical Potential = 1.439039
Total Density = 13.543698 -0.560961 < Chemical Potential < 1.439039 12.163809 < Total Density < 13.543698 0.785210 < Chemical Potential < 1.439039 12.501937 < Total Density < 13.543698 1.155917 < Chemical Potential < 1.439039 13.031227 < Total Density < 13.543698 1.189819 < Chemical Potential < 1.439039 13.091265 < Total Density < 13.543698 1.190550 < Chemical Potential < 1.439039 13.092553 < Total Density < 13.543698 Chemical Potential found in 8 iterations : Total Density = 13.092553;Chemical Potential = 1.190550 Total charge of Gloc : 1.052514 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -6.10721C^+(down_0,0)C(down_0,0) + -6.10721C^+(down_1,0)C(down_1,0) + -6.10721C^+(down_2,0)C(down_2,0) + -6.10721C^+(up_0,0)C(up_0,0) + -6.10721C^+(up_1,0)C(up_1,0) + -6.10721C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0139129 Move Insert Delta_down_0: 0.0138999 Move Insert Delta_down_1: 0.0139099 Move Insert Delta_down_2: 0.0139122 Move Insert Delta_up_0: 0.0138823 Move Insert Delta_up_1: 0.0139493 Move Insert Delta_up_2: 0.013924 Move set Remove two operators: 0.0139126 Move Remove Delta_down_0: 0.0139034 Move Remove Delta_down_1: 0.0139095 Move Remove Delta_down_2: 0.0139091 Move Remove Delta_up_0: 0.0138769 Move Remove Delta_up_1: 0.0139464 Move Remove Delta_up_2: 0.0139301 Move Shift one operator: 0.31565 [Node 0] Simulation lasted: 4937 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.255573 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 7.151274 DC for shell 0 and block down = 7.151274 DC energy for shell 0 = 1.72721304919 Iteration = 8 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.690550
Total Density = 14.645871 Chemical Potential = 0.190550
Total Density = 13.699400 Chemical Potential = -0.309450
Total Density = 13.128400 Chemical Potential = -0.809450
Total Density = 12.764979 1.190550 < Chemical Potential < -0.809450 15.622475 < Total Density < 12.764979 1.190550 < Chemical Potential < -0.580149 15.622475 < Total Density < 12.909961 1.190550 < Chemical Potential < -0.460929 15.622475 < Total Density < 12.999032 1.190550 < Chemical Potential < -0.402032 15.622475 < Total Density < 13.046293 1.190550 < Chemical Potential < -0.373410 15.622475 < Total Density < 13.070551 1.190550 < Chemical Potential < -0.359902 15.622475 < Total Density < 13.082342 1.190550 < Chemical Potential < -0.353645 15.622475 < Total Density < 13.087881 1.190550 < Chemical Potential < -0.350774 15.622475 < Total Density < 13.090438 1.190550 < Chemical Potential < -0.349463 15.622475 < Total Density < 13.091610 1.190550 < Chemical Potential < -0.348865 15.622475 < Total Density < 13.092145 1.190550 < Chemical Potential < -0.348593 15.622475 < Total Density < 13.092389 1.190550 < Chemical Potential < -0.348469 15.622475 < Total Density < 13.092500 Chemical Potential found in 15 iterations : Total Density = 13.092500;Chemical Potential = -0.348469 Total charge of Gloc : 1.120673 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -6.13092C^+(down_0,0)C(down_0,0) + -6.13092C^+(down_1,0)C(down_1,0) + -6.13092C^+(down_2,0)C(down_2,0) + -6.13092C^+(up_0,0)C(up_0,0) + -6.13092C^+(up_1,0)C(up_1,0) + -6.13092C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0129194 Move Insert Delta_down_0: 0.0129113 Move Insert Delta_down_1: 0.0128791 Move Insert Delta_down_2: 0.0128502 Move Insert Delta_up_0: 0.0129902 Move Insert Delta_up_1: 0.0129268 Move Insert Delta_up_2: 0.0129588 Move set Remove two operators: 0.0129191 Move Remove Delta_down_0: 0.0129148 Move Remove Delta_down_1: 0.0128783 Move Remove Delta_down_2: 0.0128473 Move Remove Delta_up_0: 0.0129853 Move Remove Delta_up_1: 0.0129243 Move Remove Delta_up_2: 0.0129643 Move Shift one operator: 0.258887 [Node 0] Simulation lasted: 4059 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.193002 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 6.575622 DC for shell 0 and block down = 6.575622 DC energy for shell 0 = 1.29776087544 Iteration = 9 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.151531
Total Density = 13.143302 -0.348469 < Chemical Potential < 0.151531 12.837974 < Total Density < 13.143302 0.068489 < Chemical Potential < 0.151531 13.080515 < Total Density < 13.143302 0.084463 < Chemical Potential < 0.151531 13.092188 < Total Density < 13.143302 0.084994 < Chemical Potential < 0.151531 13.092579 < Total Density < 13.143302 Chemical Potential found in 4 iterations : Total Density = 13.092579;Chemical Potential = 0.084994 Total charge of Gloc : 1.101194 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.98873C^+(down_0,0)C(down_0,0) + -5.98873C^+(down_1,0)C(down_1,0) + -5.98873C^+(down_2,0)C(down_2,0) + -5.98873C^+(up_0,0)C(up_0,0) + -5.98873C^+(up_1,0)C(up_1,0) + -5.98873C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; Insert error : recovering ... 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0125569 Move Insert Delta_down_0: 0.0125777 Move Insert Delta_down_1: 0.0125712 Move Insert Delta_down_2: 0.0125821 Move Insert Delta_up_0: 0.0124828 Move Insert Delta_up_1: 0.0125862 Move Insert Delta_up_2: 0.0125413 Move set Remove two operators: 0.0125567 Move Remove Delta_down_0: 0.0125811 Move Remove Delta_down_1: 0.0125708 Move Remove Delta_down_2: 0.0125793 Move Remove Delta_up_0: 0.0124781 Move Remove Delta_up_1: 0.0125834 Move Remove Delta_up_2: 0.0125474 Move Shift one operator: 0.23156 [Node 0] Simulation lasted: 4059 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.182029 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 6.474669 DC for shell 0 and block down = 6.474669 DC energy for shell 0 = 1.22615995019 Iteration = 10 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.584994
Total Density = 13.489667 0.084994 < Chemical Potential < 0.584994 13.081270 < Total Density < 13.489667 0.098856 < Chemical Potential < 0.584994 13.090168 < Total Density < 13.489667 0.101807 < Chemical Potential < 0.584994 13.092078 < Total Density < 13.489667 0.102432 < Chemical Potential < 0.584994 13.092483 < Total Density < 13.489667 0.102564 < Chemical Potential < 0.584994 13.092569 < Total Density < 13.489667 Chemical Potential found in 5 iterations : Total Density = 13.092569;Chemical Potential = 0.102564 Total charge of Gloc : 1.101195 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.90535C^+(down_0,0)C(down_0,0) + -5.90535C^+(down_1,0)C(down_1,0) + -5.90535C^+(down_2,0)C(down_2,0) + -5.90535C^+(up_0,0)C(up_0,0) + -5.90535C^+(up_1,0)C(up_1,0) + -5.90535C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0122236 Move Insert Delta_down_0: 0.0123092 Move Insert Delta_down_1: 0.012261 Move Insert Delta_down_2: 0.0121916 Move Insert Delta_up_0: 0.0122336 Move Insert Delta_up_1: 0.0122173 Move Insert Delta_up_2: 0.0121288 Move set Remove two operators: 0.0122235 Move Remove Delta_down_0: 0.0123123 Move Remove Delta_down_1: 0.0122606 Move Remove Delta_down_2: 0.0121894 Move Remove Delta_up_0: 0.0122289 Move Remove Delta_up_1: 0.012215 Move Remove Delta_up_2: 0.0121345 Move Shift one operator: 0.215487 [Node 0] Simulation lasted: 3539 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.149488 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 6.175289 DC for shell 0 and block down = 6.175289 DC energy for shell 0 = 1.02033632506 Iteration = 11 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.602564
Total Density = 13.309616 0.102564 < Chemical Potential < 0.602564 13.005989 < Total Density < 13.309616 0.245178 < Chemical Potential < 0.602564 13.076909 < Total Density < 13.309616 0.269265 < Chemical Potential < 0.602564 13.090051 < Total Density < 13.309616 0.273123 < Chemical Potential < 0.602564 13.092188 < Total Density < 13.309616 0.273735 < Chemical Potential < 0.602564 13.092528 < Total Density < 13.309616 Chemical Potential found in 5 iterations : Total Density = 13.092528;Chemical Potential = 0.273735 Total charge of Gloc : 1.096217 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.77714C^+(down_0,0)C(down_0,0) + -5.77714C^+(down_1,0)C(down_1,0) + -5.77714C^+(down_2,0)C(down_2,0) + -5.77714C^+(up_0,0)C(up_0,0) + -5.77714C^+(up_1,0)C(up_1,0) + -5.77714C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0118584 Move Insert Delta_down_0: 0.0116871 Move Insert Delta_down_1: 0.0116919 Move Insert Delta_down_2: 0.0117547 Move Insert Delta_up_0: 0.0119716 Move Insert Delta_up_1: 0.0119733 Move Insert Delta_up_2: 0.0120717 Move set Remove two operators: 0.011858 Move Remove Delta_down_0: 0.0116898 Move Remove Delta_down_1: 0.0116909 Move Remove Delta_down_2: 0.0117521 Move Remove Delta_up_0: 0.011967 Move Remove Delta_up_1: 0.0119709 Move Remove Delta_up_2: 0.0120773 Move Shift one operator: 0.197719 [Node 0] Simulation lasted: 3589 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.127111 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.969422 DC for shell 0 and block down = 5.969422 DC energy for shell 0 = 0.884456655601 Iteration = 12 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.773735
Total Density = 13.316917 0.273735 < Chemical Potential < 0.773735 13.037300 < Total Density < 13.316917 0.372607 < Chemical Potential < 0.773735 13.081615 < Total Density < 13.316917 0.391321 < Chemical Potential < 0.773735 13.090552 < Total Density < 13.316917 0.394768 < Chemical Potential < 0.773735 13.092218 < Total Density < 13.316917 0.395399 < Chemical Potential < 0.773735 13.092524 < Total Density < 13.316917 Chemical Potential found in 5 iterations : Total Density = 13.092524;Chemical Potential = 0.395399 Total charge of Gloc : 1.093163 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.69294C^+(down_0,0)C(down_0,0) + -5.69294C^+(down_1,0)C(down_1,0) + -5.69294C^+(down_2,0)C(down_2,0) + -5.69294C^+(up_0,0)C(up_0,0) + -5.69294C^+(up_1,0)C(up_1,0) + -5.69294C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; Insert error : recovering ... 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0115607 Move Insert Delta_down_0: 0.0113379 Move Insert Delta_down_1: 0.0112816 Move Insert Delta_down_2: 0.0112916 Move Insert Delta_up_0: 0.0117994 Move Insert Delta_up_1: 0.0118566 Move Insert Delta_up_2: 0.0117967 Move set Remove two operators: 0.0115605 Move Remove Delta_down_0: 0.0113408 Move Remove Delta_down_1: 0.0112808 Move Remove Delta_down_2: 0.0112891 Move Remove Delta_up_0: 0.0117948 Move Remove Delta_up_1: 0.0118545 Move Remove Delta_up_2: 0.0118028 Move Shift one operator: 0.184656 [Node 0] Simulation lasted: 3275 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.130579 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 6.001324 DC for shell 0 and block down = 6.001324 DC energy for shell 0 = 0.905211660411 Iteration = 13 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.104601
Total Density = 12.945631 0.395399 < Chemical Potential < -0.104601 13.123070 < Total Density < 12.945631 0.395399 < Chemical Potential < 0.309516 13.123070 < Total Density < 13.086368 0.395399 < Chemical Potential < 0.324081 13.123070 < Total Density < 13.092370 0.395399 < Chemical Potential < 0.324599 13.123070 < Total Density < 13.092584 Chemical Potential found in 4 iterations : Total Density = 13.092584;Chemical Potential = 0.324599 Total charge of Gloc : 1.097113 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.65404C^+(down_0,0)C(down_0,0) + -5.65404C^+(down_1,0)C(down_1,0) + -5.65404C^+(down_2,0)C(down_2,0) + -5.65404C^+(up_0,0)C(up_0,0) + -5.65404C^+(up_1,0)C(up_1,0) + -5.65404C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0113184 Move Insert Delta_down_0: 0.0109556 Move Insert Delta_down_1: 0.0111212 Move Insert Delta_down_2: 0.0112986 Move Insert Delta_up_0: 0.0113079 Move Insert Delta_up_1: 0.0116008 Move Insert Delta_up_2: 0.0116265 Move set Remove two operators: 0.0113181 Move Remove Delta_down_0: 0.0109578 Move Remove Delta_down_1: 0.0111202 Move Remove Delta_down_2: 0.0112962 Move Remove Delta_up_0: 0.011303 Move Remove Delta_up_1: 0.011599 Move Remove Delta_up_2: 0.0116323 Move Shift one operator: 0.174827 [Node 0] Simulation lasted: 2868 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.099997 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.719974 DC for shell 0 and block down = 5.719974 DC energy for shell 0 = 0.725984056746 Iteration = 14 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.824599
Total Density = 13.251336 0.324599 < Chemical Potential < 0.824599 13.051545 < Total Density < 13.251336 0.427324 < Chemical Potential < 0.824599 13.087071 < Total Density < 13.251336 0.440679 < Chemical Potential < 0.824599 13.091862 < Total Density < 13.251336 0.442436 < Chemical Potential < 0.824599 13.092496 < Total Density < 13.251336 Chemical Potential found in 4 iterations : Total Density = 13.092496;Chemical Potential = 0.442436 Total charge of Gloc : 1.088431 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.49053C^+(down_0,0)C(down_0,0) + -5.49053C^+(down_1,0)C(down_1,0) + -5.49053C^+(down_2,0)C(down_2,0) + -5.49053C^+(up_0,0)C(up_0,0) + -5.49053C^+(up_1,0)C(up_1,0) + -5.49053C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; Insert error : recovering ... 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0110555 Move Insert Delta_down_0: 0.0115231 Move Insert Delta_down_1: 0.0113278 Move Insert Delta_down_2: 0.0113392 Move Insert Delta_up_0: 0.0109791 Move Insert Delta_up_1: 0.0105499 Move Insert Delta_up_2: 0.0106139 Move set Remove two operators: 0.0110555 Move Remove Delta_down_0: 0.0115268 Move Remove Delta_down_1: 0.0113269 Move Remove Delta_down_2: 0.0113368 Move Remove Delta_up_0: 0.0109747 Move Remove Delta_up_1: 0.0105483 Move Remove Delta_up_2: 0.0106198 Move Shift one operator: 0.165324 [Node 0] Simulation lasted: 2330 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.090859 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.635902 DC for shell 0 and block down = 5.635902 DC energy for shell 0 = 0.674097300446 Iteration = 15 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = -0.057564
Total Density = 13.024462 0.442436 < Chemical Potential < -0.057564 13.207276 < Total Density < 13.024462 0.442436 < Chemical Potential < 0.128775 13.207276 < Total Density < 13.087493 0.442436 < Chemical Potential < 0.142128 13.207276 < Total Density < 13.092229 0.442436 < Chemical Potential < 0.143076 13.207276 < Total Density < 13.092567 Chemical Potential found in 4 iterations : Total Density = 13.092567;Chemical Potential = 0.143076 Total charge of Gloc : 1.090844 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -5.1071C^+(down_0,0)C(down_0,0) + -5.1071C^+(down_1,0)C(down_1,0) + -5.1071C^+(down_2,0)C(down_2,0) + -5.1071C^+(up_0,0)C(up_0,0) + -5.1071C^+(up_1,0)C(up_1,0) + -5.1071C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; Insert error : recovering ... 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.0110142 Move Insert Delta_down_0: 0.01148 Move Insert Delta_down_1: 0.0114497 Move Insert Delta_down_2: 0.0114073 Move Insert Delta_up_0: 0.0108721 Move Insert Delta_up_1: 0.00999196 Move Insert Delta_up_2: 0.0108843 Move set Remove two operators: 0.0110141 Move Remove Delta_down_0: 0.0114832 Move Remove Delta_down_1: 0.0114486 Move Remove Delta_down_2: 0.0114043 Move Remove Delta_up_0: 0.010868 Move Remove Delta_up_1: 0.00999074 Move Remove Delta_up_2: 0.0108897 Move Shift one operator: 0.163313 [Node 0] Simulation lasted: 3029 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.105939 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 5.774634 DC for shell 0 and block down = 5.774634 DC energy for shell 0 = 0.760130574623 Iteration = 16 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.643076
Total Density = 12.581582 Chemical Potential = 1.143076
Total Density = 13.373597 0.143076 < Chemical Potential < 1.143076 12.229385 < Total Density < 13.373597 0.897488 < Chemical Potential < 1.143076 12.935916 < Total Density < 13.373597 0.985400 < Chemical Potential < 1.143076 13.087777 < Total Density < 13.373597 0.988057 < Chemical Potential < 1.143076 13.092565 < Total Density < 13.373597 Chemical Potential found in 5 iterations : Total Density = 13.092565;Chemical Potential = 0.988057 Total charge of Gloc : 1.065640 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -6.09081C^+(down_0,0)C(down_0,0) + -6.09081C^+(down_1,0)C(down_1,0) + -6.09081C^+(down_2,0)C(down_2,0) + -6.09081C^+(up_0,0)C(up_0,0) + -6.09081C^+(up_1,0)C(up_1,0) + -6.09081C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C^+(up_2,0)C(up_2,0)C(up_0,0) + 7.2*C^+(up_1,0)C^+(up_2,0)C(up_2,0)C(up_1,0) Using autopartition algorithm to partition the local Hilbert space Found 64 subspaces.

Warming up ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%; Accumulating ... 1%; 2%; 3%; 4%; 5%; 6%; 7%; 8%; 9%; 10%; 11%; 12%; 13%; 14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; 23%; 24%; 25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; 36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; 44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; 100%;

[Node 0] Acceptance rate for all moves: Move set Insert two operators: 0.013847 Move Insert Delta_down_0: 0.0138475 Move Insert Delta_down_1: 0.0138899 Move Insert Delta_down_2: 0.0138318 Move Insert Delta_up_0: 0.0138379 Move Insert Delta_up_1: 0.0138294 Move Insert Delta_up_2: 0.0138455 Move set Remove two operators: 0.0138468 Move Remove Delta_down_0: 0.013852 Move Remove Delta_down_1: 0.0138896 Move Remove Delta_down_2: 0.0138286 Move Remove Delta_up_0: 0.0138323 Move Remove Delta_up_1: 0.0138264 Move Remove Delta_up_2: 0.0138519 Move Shift one operator: 0.311111 [Node 0] Simulation lasted: 4225 seconds [Node 0] Number of measures: 1000000 Total number of measures: 1000000 Average sign: 1 Total charge of impurity problem : 1.251325 Mixing Sigma and G with factor 1.0 DC for shell 0 and block up = 7.112191 DC for shell 0 and block down = 7.112191 DC energy for shell 0 = 1.69691599688 Iteration = 17 Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100 Chemical Potential = 0.488057
Total Density = 14.188735 Chemical Potential = -0.011943
Total Density = 13.436116 Chemical Potential = -0.511943
Total Density = 12.965913 0.988057 < Chemical Potential < -0.511943 15.252982 < Total Density < 12.965913 0.988057 < Chemical Potential < -0.428859 15.252982 < Total Density < 13.029613 0.988057 < Chemical Potential < -0.388723 15.252982 < Total Density < 13.062400 0.988057 < Chemical Potential < -0.369747 15.252982 < Total Density < 13.078507 0.988057 < Chemical Potential < -0.360952 15.252982 < Total Density < 13.086115 0.988057 < Chemical Potential < -0.356919 15.252982 < Total Density < 13.089634 0.988057 < Chemical Potential < -0.355080 15.252982 < Total Density < 13.091245 0.988057 < Chemical Potential < -0.354243 15.252982 < Total Density < 13.091980 0.988057 < Chemical Potential < -0.353863 15.252982 < Total Density < 13.092314 0.988057 < Chemical Potential < -0.353690 15.252982 < Total Density < 13.092466 0.988057 < Chemical Potential < -0.353611 15.252982 < Total Density < 13.092535 Chemical Potential found in 13 iterations : Total Density = 13.092535;Chemical Potential = -0.353611 Total charge of Gloc : 1.120890 Mixing input Delta with factor 1.0 The local Hamiltonian of the problem: -6.0867C^+(down_0,0)C(down_0,0) + -6.0867C^+(down_1,0)C(down_1,0) + -6.0867C^+(down_2,0)C(down_2,0) + -6.0867C^+(up_0,0)C(up_0,0) + -6.0867C^+(up_1,0)C(up_1,0) + -6.0867C^+(up_2,0)C(up_2,0) + 7.2C^+(down_0,0)C^+(down_1,0)C(down_1,0)C(down_0,0) + 7.2C^+(down_0,0)C^+(down_2,0)C(down_2,0)C(down_0,0) + 9.6C^+(down_0,0)C^+(up_0,0)C(up_0,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_1,0)C(up_1,0)C(down_0,0) + 8C^+(down_0,0)C^+(up_2,0)C(up_2,0)C(down_0,0) + 7.2C^+(down_1,0)C^+(down_2,0)C(down_2,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_0,0)C(up_0,0)C(down_1,0) + 9.6C^+(down_1,0)C^+(up_1,0)C(up_1,0)C(down_1,0) + 8C^+(down_1,0)C^+(up_2,0)C(up_2,0)C(down_1,0) + 8C^+(down_2,0)C^+(up_0,0)C(up_0,0)C(down_2,0) + 8C^+(down_2,0)C^+(up_1,0)C(up_1,0)C(down_2,0) + 9.6C^+(down_2,0)C^+(up_2,0)C(up_2,0)C(down_2,0) + 7.2C^+(up_0,0)C^+(up_1,0)C(up_1,0)C(up_0,0) + 7.2C^+(up_0,0)C"

I want to know that my calculation is true or not? and if it is not correct how can I solve it?

the best.Reyhaneh

[the-hampel]

At first glance that looks all fine to me. The output is of course repeated after each DMFT cycle/iteration. I do not understand your confusion or concern here, please explain a bit more which specific point you mean? Perhaps the calculation is not fully converged yet, but this is not an error..

[Reyhanehe]

Dear Alex I want to be assure oneself of the correction of my calculation and from your help I know that I have not error in my calculation yet. thank you very much best, Reyhaneh

[aichhorn]

Technically, the calculation looks fine. If it makes sense physics-wise is difficult to say. For instanc, when you set your chemical potential, I can see the line:

Dichotomy adjustment of Chemical Potential to obtain Total Density = 13.092592 +/- 0.000100

What is your projection window? You ask for a non-integer charge, that means you are cutting some bands, which makes no sense for SrVO3. The window must be large in your case, otherwise the values for U and J are really much too big. To be sure if you get meaningful results, you have to look at some properties like the self energy, and compare to existing results (or post it here).

[Reyhanehe]

Dear Aichhorn

Hi

I use the below case.indmftpr for my calculation and choose W=[-0.6 ,0.9].

Is it suitable ? or must increase it?

"3 ! Nsort 1 1 3 ! Mult(Nsort) 3 ! lmax complex ! choice of angular harmonics 1 1 0 0 ! l included for each sort 0 0 0 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0) cubic ! choice of angular harmonics 1 1 2 0 ! l included for each sort 0 0 2 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0) 01 ! 0 ! SO flag complex ! choice of angular harmonics 1 1 0 0 ! l included for each sort 0 0 0 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0) -0.6 0.9 ! t2g + eg + Op "

thank you very much

Reyhaneh

[gkraberger]

Hi Reyhaneh,

the energy units in the indmftpr file for the window are rydberg, not eV. That means that you have a large window. If you use such a large window, you have to change the values of U and J accordingly compared to a small window (as suggested by Markus Aichhorn). For a t2g-only model in SrVO3, you would typically use a window of about -2 to 2 eV, but of course using larger windows is possible.

Best Gernot

[Reyhanehe]

Hi Dear Gernot thanks a lot for your comment. so I should reduce my window energy in this case. Best Reyhaneh