# CODE: ST-WSLDA-1D # VERSION: 2026.01.27 # API_VERSION: 20240131 # BUILD TIME: Jan 28 2026, 13:40:31 # RUN TIME : Jan 28 2026, 13:44:30 # LATTICE: 256 x 16 x 16 # SPACING: 1.000000 x 1.000000 x 1.000000 # SOMETHING FUNNY FROM W-SLDA FOR A GOOD START: # Why did the biologist go on a diet? # Because he had too much cell-u-lite. # ENERGY DENSITY FUNCTIONAL: SLDAE # USING ELPA. # SPINSYMMETRY MODE IS ACTIVE. # MIXING TYPE: (p)otentials. # NUMBER OF k-MODES TO CONSIDER: 34 # AUTOMATIC DIVISION OF WORK - MAY NOT BE OPTIMAL! # SETTINGS 4 KZGROUPS, EACH WITH GRID PROCESSES OF SIZE [1 x 1] # GROUP 0 WITH 1 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 2 WITH 1 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 1 WITH 1 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 3 WITH 1 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 0 COMPUTES FOR 9 k-MODES [0,9) # GROUP 2 COMPUTES FOR 8 k-MODES [18,26) # GROUP 3 COMPUTES FOR 8 k-MODES [26,34) # GROUP 1 COMPUTES FOR 9 k-MODES [9,18) # HAMILTONIAN SIZE: 512 x 512 # HAMILTONIAN TOTAL STORAGE: 4.00MB # CREATING CBLACS GRIDS OF SIZE [1 x 1] WITH BLOCK SIZE [32 x 32] # CREATING UNIFORM SOLUTION... # UNIFORM SOLUTION: delta/eF_a= 0.4773, mu_a/eF_a= 0.3899, delta/eF_b= 0.4773, mu_b/eF_b= 0.3899, ec= 4.5163 # UNIFORM SOLUTION: energy_kin= 1.830302239099, energy_pot= -0.481426927078, energy_pair= -0.988925620371, energy_tot= 0.359949691650 # ENTROPY PER PARTICLE: S/NkB= 0.000000000000 # UNIFORM SOLUTION: nwf=33951 # CREATING FFTW PLANS... # EXECUTING: process_params(input->params, [1.000062], [0.194960,0.194960], 0, extra_data) # SETTING UP ELPA... # ELPA: SETTINGS SOLVER: `ELPA_SOLVER_1STAGE` # ELPA: SETTINGS COMPLEX KERNEL: `ELPA_2STAGE_COMPLEX_DEFAULT` # SETTING UP OF ELPA DONE. # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 0 0... # DIAGONALIZATION 0 0 DONE [1 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 0 1... # DIAGONALIZATION 0 1 DONE [1 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 0 2... # DIAGONALIZATION 0 2 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 0 3... # DIAGONALIZATION 0 3 DONE [0 sec] (EXTRACTED 245 STATES) # DIAGONALIZATION 0 4... # DIAGONALIZATION 0 4 DONE [0 sec] (EXTRACTED 231 STATES) # DIAGONALIZATION 0 5... # DIAGONALIZATION 0 5 DONE [0 sec] (EXTRACTED 209 STATES) # DIAGONALIZATION 0 6... # DIAGONALIZATION 0 6 DONE [0 sec] (EXTRACTED 181 STATES) # DIAGONALIZATION 0 7... # DIAGONALIZATION 0 7 DONE [0 sec] (EXTRACTED 139 STATES) # DIAGONALIZATION 0 8... # DIAGONALIZATION 0 8 DONE [0 sec] (EXTRACTED 256 STATES) # NWF=36776 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36776 (28.1% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ENTROPY [T/eF= 1e-09]: it=0 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=0 SPINA: NEW= 842.37949 OLD= 1106.903 DIFF= -264.52355 CONVSTATUS= PASS NPARTCONV= 0.34237949 SPINB: NEW= 842.37949 OLD= 1106.903 DIFF= -264.52355 CONVSTATUS= PASS NPARTCONV= 0.34237949 # CONVERGENCE REPORT ENERGY: it=0 [in Effg=505.427696 units] E_kin: NEW= 1.9132749 OLD= 2.4053505 DIFF= -0.49207555 CONVSTATUS= FAIL E_pot: NEW= -0.41557854 OLD= -0.63268267 DIFF= 0.21710413 CONVSTATUS= FAIL E_pair: NEW= -1.2018519 OLD= -1.2996284 DIFF= 0.097776529 CONVSTATUS= FAIL E_curr: NEW= 3.8457708e-34 OLD= 0 DIFF= 3.8457708e-34 CONVSTATUS= PASS E_potext: NEW= 0.27413681 OLD= 0 DIFF= 0.27413681 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.56998136 OLD= 0.47303945 DIFF= 0.09694191 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -40.37627844 # FUNCTION CHANGED BY: 152.14015866 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.26: rt_diag= 3.97[93.13%] rt_dens= 0.06[ 1.35%] rt_pot= 0.00[ 0.08%] rt_me= 0.19[ 4.36%] rt_redistrib= 0.02[ 0.47%] rt_other= 0.03[ 0.61%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 1 0... # DIAGONALIZATION 1 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 1 1... # DIAGONALIZATION 1 1 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 1 2... # DIAGONALIZATION 1 2 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 1 3... # DIAGONALIZATION 1 3 DONE [0 sec] (EXTRACTED 245 STATES) # DIAGONALIZATION 1 4... # DIAGONALIZATION 1 4 DONE [0 sec] (EXTRACTED 231 STATES) # DIAGONALIZATION 1 5... # DIAGONALIZATION 1 5 DONE [0 sec] (EXTRACTED 209 STATES) # DIAGONALIZATION 1 6... # DIAGONALIZATION 1 6 DONE [0 sec] (EXTRACTED 181 STATES) # DIAGONALIZATION 1 7... # DIAGONALIZATION 1 7 DONE [0 sec] (EXTRACTED 139 STATES) # DIAGONALIZATION 1 8... # DIAGONALIZATION 1 8 DONE [0 sec] (EXTRACTED 256 STATES) # NWF=36632 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36632 (27.9% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ENTROPY [T/eF= 1e-09]: it=1 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=1 SPINA: NEW= 782.9907 OLD= 842.37949 DIFF= -59.38879 CONVSTATUS= PASS NPARTCONV= 0.2829907 SPINB: NEW= 782.9907 OLD= 842.37949 DIFF= -59.38879 CONVSTATUS= PASS NPARTCONV= 0.2829907 # CONVERGENCE REPORT ENERGY: it=1 [in Effg=469.794422 units] E_kin: NEW= 1.885857 OLD= 2.0583943 DIFF= -0.17253723 CONVSTATUS= FAIL E_pot: NEW= -0.40480757 OLD= -0.44709961 DIFF= 0.042292039 CONVSTATUS= FAIL E_pair: NEW= -1.1931304 OLD= -1.2930107 DIFF= 0.099880327 CONVSTATUS= FAIL E_curr: NEW= 3.9983399e-34 OLD= 4.1374673e-34 DIFF= -1.3912746e-35 CONVSTATUS= PASS E_potext: NEW= 0.25302112 OLD= 0.29492971 DIFF= -0.041908592 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.54094022 OLD= 0.61321368 DIFF= -0.07227346 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -51.17306743 # FUNCTION CHANGED BY: -10.79678899 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.04: rt_diag= 3.77[93.52%] rt_dens= 0.06[ 1.38%] rt_pot= 0.00[ 0.09%] rt_me= 0.17[ 4.29%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.01[ 0.31%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 2 0... # DIAGONALIZATION 2 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 2 1... # DIAGONALIZATION 2 1 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 2 2... # DIAGONALIZATION 2 2 DONE [0 sec] (EXTRACTED 254 STATES) # DIAGONALIZATION 2 3... # DIAGONALIZATION 2 3 DONE [0 sec] (EXTRACTED 245 STATES) # DIAGONALIZATION 2 4... # DIAGONALIZATION 2 4 DONE [0 sec] (EXTRACTED 229 STATES) # DIAGONALIZATION 2 5... # DIAGONALIZATION 2 5 DONE [0 sec] (EXTRACTED 209 STATES) # DIAGONALIZATION 2 6... # DIAGONALIZATION 2 6 DONE [0 sec] (EXTRACTED 179 STATES) # DIAGONALIZATION 2 7... # DIAGONALIZATION 2 7 DONE [0 sec] (EXTRACTED 137 STATES) # DIAGONALIZATION 2 8... # DIAGONALIZATION 2 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=36472 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36472 (27.8% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ENTROPY [T/eF= 1e-09]: it=2 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=2 SPINA: NEW= 737.86272 OLD= 782.9907 DIFF= -45.127984 CONVSTATUS= PASS NPARTCONV= 0.23786272 SPINB: NEW= 737.86272 OLD= 782.9907 DIFF= -45.127984 CONVSTATUS= PASS NPARTCONV= 0.23786272 # CONVERGENCE REPORT ENERGY: it=2 [in Effg=442.717632 units] E_kin: NEW= 1.8561483 OLD= 2.0011968 DIFF= -0.14504848 CONVSTATUS= FAIL E_pot: NEW= -0.39805346 OLD= -0.42956577 DIFF= 0.031512313 CONVSTATUS= FAIL E_pair: NEW= -1.1739695 OLD= -1.2661027 DIFF= 0.092133231 CONVSTATUS= FAIL E_curr: NEW= 3.7821169e-34 OLD= 4.24288e-34 DIFF= -4.6076304e-35 CONVSTATUS= PASS E_potext: NEW= 0.2354923 OLD= 0.268496 DIFF= -0.033003693 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.51961772 OLD= 0.57402435 DIFF= -0.054406631 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -57.66353697 # FUNCTION CHANGED BY: -6.49046954 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.98: rt_diag= 3.72[93.48%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.09%] rt_me= 0.17[ 4.32%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.31%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 3 0... # DIAGONALIZATION 3 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 3 1... # DIAGONALIZATION 3 1 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 3 2... # DIAGONALIZATION 3 2 DONE [0 sec] (EXTRACTED 254 STATES) # DIAGONALIZATION 3 3... # DIAGONALIZATION 3 3 DONE [0 sec] (EXTRACTED 245 STATES) # DIAGONALIZATION 3 4... # DIAGONALIZATION 3 4 DONE [0 sec] (EXTRACTED 229 STATES) # DIAGONALIZATION 3 5... # DIAGONALIZATION 3 5 DONE [0 sec] (EXTRACTED 209 STATES) # DIAGONALIZATION 3 6... # DIAGONALIZATION 3 6 DONE [0 sec] (EXTRACTED 179 STATES) # DIAGONALIZATION 3 7... # DIAGONALIZATION 3 7 DONE [0 sec] (EXTRACTED 137 STATES) # DIAGONALIZATION 3 8... # DIAGONALIZATION 3 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=36416 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36416 (27.8% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ENTROPY [T/eF= 1e-09]: it=3 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=3 SPINA: NEW= 702.60225 OLD= 737.86272 DIFF= -35.260472 CONVSTATUS= PASS NPARTCONV= 0.20260225 SPINB: NEW= 702.60225 OLD= 737.86272 DIFF= -35.260472 CONVSTATUS= PASS NPARTCONV= 0.20260225 # CONVERGENCE REPORT ENERGY: it=3 [in Effg=421.561348 units] E_kin: NEW= 1.8272152 OLD= 1.9493001 DIFF= -0.12208493 CONVSTATUS= FAIL E_pot: NEW= -0.39377253 OLD= -0.41802998 DIFF= 0.024257454 CONVSTATUS= FAIL E_pair: NEW= -1.1512621 OLD= -1.2328858 DIFF= 0.081623651 CONVSTATUS= FAIL E_curr: NEW= 4.058099e-34 OLD= 3.9719245e-34 DIFF= 8.6174543e-36 CONVSTATUS= PASS E_potext: NEW= 0.2208219 OLD= 0.24731061 DIFF= -0.026488714 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.50300247 OLD= 0.54569501 DIFF= -0.042692543 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -61.91229837 # FUNCTION CHANGED BY: -4.24876139 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.00: rt_diag= 3.74[93.53%] rt_dens= 0.05[ 1.36%] rt_pot= 0.00[ 0.08%] rt_me= 0.17[ 4.28%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.30%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 4 0... # DIAGONALIZATION 4 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 4 1... # DIAGONALIZATION 4 1 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 4 2... # DIAGONALIZATION 4 2 DONE [0 sec] (EXTRACTED 254 STATES) # DIAGONALIZATION 4 3... # DIAGONALIZATION 4 3 DONE [0 sec] (EXTRACTED 245 STATES) # DIAGONALIZATION 4 4... # DIAGONALIZATION 4 4 DONE [0 sec] (EXTRACTED 229 STATES) # DIAGONALIZATION 4 5... # DIAGONALIZATION 4 5 DONE [0 sec] (EXTRACTED 208 STATES) # DIAGONALIZATION 4 6... # DIAGONALIZATION 4 6 DONE [0 sec] (EXTRACTED 179 STATES) # DIAGONALIZATION 4 7... # DIAGONALIZATION 4 7 DONE [0 sec] (EXTRACTED 137 STATES) # DIAGONALIZATION 4 8... # DIAGONALIZATION 4 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=36300 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36300 (27.7% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ENTROPY [T/eF= 1e-09]: it=4 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=4 SPINA: NEW= 674.44136 OLD= 702.60225 DIFF= -28.160886 CONVSTATUS= PASS NPARTCONV= 0.17444136 SPINB: NEW= 674.44136 OLD= 702.60225 DIFF= -28.160886 CONVSTATUS= PASS NPARTCONV= 0.17444136 # CONVERGENCE REPORT ENERGY: it=4 [in Effg=404.664817 units] E_kin: NEW= 1.7992244 OLD= 1.9035095 DIFF= -0.10428511 CONVSTATUS= FAIL E_pot: NEW= -0.39105011 OLD= -0.41021426 DIFF= 0.019164148 CONVSTATUS= FAIL E_pair: NEW= -1.12635 OLD= -1.1993324 DIFF= 0.072982368 CONVSTATUS= FAIL E_curr: NEW= 4.0225546e-34 OLD= 4.2275425e-34 DIFF= -2.0498786e-35 CONVSTATUS= PASS E_potext: NEW= 0.20846616 OLD= 0.23004218 DIFF= -0.021576022 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.49029041 OLD= 0.52400503 DIFF= -0.033714618 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -64.57492415 # FUNCTION CHANGED BY: -2.66262578 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.04: rt_diag= 3.78[93.54%] rt_dens= 0.06[ 1.36%] rt_pot= 0.00[ 0.08%] rt_me= 0.17[ 4.28%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.01[ 0.30%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 5 0... # DIAGONALIZATION 5 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 5 1... # DIAGONALIZATION 5 1 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 5 2... # DIAGONALIZATION 5 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 5 3... # DIAGONALIZATION 5 3 DONE [0 sec] (EXTRACTED 244 STATES) # DIAGONALIZATION 5 4... # DIAGONALIZATION 5 4 DONE [0 sec] (EXTRACTED 229 STATES) # DIAGONALIZATION 5 5... # DIAGONALIZATION 5 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 5 6... # DIAGONALIZATION 5 6 DONE [0 sec] (EXTRACTED 179 STATES) # DIAGONALIZATION 5 7... # DIAGONALIZATION 5 7 DONE [0 sec] (EXTRACTED 137 STATES) # DIAGONALIZATION 5 8... # DIAGONALIZATION 5 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=36252 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36252 (27.7% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ENTROPY [T/eF= 1e-09]: it=5 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=5 SPINA: NEW= 651.49843 OLD= 674.44136 DIFF= -22.942927 CONVSTATUS= PASS NPARTCONV= 0.15149843 SPINB: NEW= 651.49843 OLD= 674.44136 DIFF= -22.942927 CONVSTATUS= PASS NPARTCONV= 0.15149843 # CONVERGENCE REPORT ENERGY: it=5 [in Effg=390.899061 units] E_kin: NEW= 1.7736809 OLD= 1.8625852 DIFF= -0.088904235 CONVSTATUS= FAIL E_pot: NEW= -0.38931705 OLD= -0.40482119 DIFF= 0.015504134 CONVSTATUS= FAIL E_pair: NEW= -1.102447 OLD= -1.1660151 DIFF= 0.063568114 CONVSTATUS= FAIL E_curr: NEW= 4.0744953e-34 OLD= 4.1642114e-34 DIFF= -8.9716126e-36 CONVSTATUS= PASS E_potext: NEW= 0.19798775 OLD= 0.21580743 DIFF= -0.017819672 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.47990464 OLD= 0.50755629 DIFF= -0.027651659 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -66.43802471 # FUNCTION CHANGED BY: -1.86310056 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.95: rt_diag= 3.69[93.42%] rt_dens= 0.05[ 1.39%] rt_pot= 0.00[ 0.08%] rt_me= 0.17[ 4.33%] rt_redistrib= 0.02[ 0.45%] rt_other= 0.01[ 0.33%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 6 0... # DIAGONALIZATION 6 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 6 1... # DIAGONALIZATION 6 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 6 2... # DIAGONALIZATION 6 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 6 3... # DIAGONALIZATION 6 3 DONE [0 sec] (EXTRACTED 244 STATES) # DIAGONALIZATION 6 4... # DIAGONALIZATION 6 4 DONE [0 sec] (EXTRACTED 229 STATES) # DIAGONALIZATION 6 5... # DIAGONALIZATION 6 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 6 6... # DIAGONALIZATION 6 6 DONE [0 sec] (EXTRACTED 179 STATES) # DIAGONALIZATION 6 7... # DIAGONALIZATION 6 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 6 8... # DIAGONALIZATION 6 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=36192 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 36192 (27.6% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=6 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=6 SPINA: NEW= 632.54234 OLD= 651.49843 DIFF= -18.956098 CONVSTATUS= PASS NPARTCONV= 0.13254234 SPINB: NEW= 632.54234 OLD= 651.49843 DIFF= -18.956098 CONVSTATUS= PASS NPARTCONV= 0.13254234 # CONVERGENCE REPORT ENERGY: it=6 [in Effg=379.525402 units] E_kin: NEW= 1.7504469 OLD= 1.8268348 DIFF= -0.07638793 CONVSTATUS= FAIL E_pot: NEW= -0.38822874 OLD= -0.40098415 DIFF= 0.012755406 CONVSTATUS= FAIL E_pair: NEW= -0.86518629 OLD= -1.1354853 DIFF= 0.27029896 CONVSTATUS= FAIL E_curr: NEW= 4.105389e-34 OLD= 4.1966002e-34 DIFF= -9.121125e-36 CONVSTATUS= PASS E_potext: NEW= 0.18905967 OLD= 0.20392107 DIFF= -0.014861406 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.6860915 OLD= 0.49428647 DIFF= 0.19180503 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: 13.74821923 # FUNCTION CHANGED BY: 80.18624394 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.93: rt_diag= 3.67[93.42%] rt_dens= 0.05[ 1.38%] rt_pot= 0.00[ 0.08%] rt_me= 0.17[ 4.32%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.37%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 7 0... # DIAGONALIZATION 7 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 7 1... # DIAGONALIZATION 7 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 7 2... # DIAGONALIZATION 7 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 7 3... # DIAGONALIZATION 7 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 7 4... # DIAGONALIZATION 7 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 7 5... # DIAGONALIZATION 7 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 7 6... # DIAGONALIZATION 7 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 7 7... # DIAGONALIZATION 7 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 7 8... # DIAGONALIZATION 7 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35952 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35952 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=7 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=7 SPINA: NEW= 520.50537 OLD= 632.54234 DIFF= -112.03697 CONVSTATUS= PASS NPARTCONV= 0.020505366 SPINB: NEW= 520.50537 OLD= 632.54234 DIFF= -112.03697 CONVSTATUS= PASS NPARTCONV= 0.020505366 # CONVERGENCE REPORT ENERGY: it=7 [in Effg=312.303220 units] E_kin: NEW= 1.5885008 OLD= 2.1272245 DIFF= -0.53872371 CONVSTATUS= FAIL E_pot: NEW= -0.38705103 OLD= -0.47179363 DIFF= 0.084742606 CONVSTATUS= FAIL E_pair: NEW= -0.91667648 OLD= -1.0514146 DIFF= 0.13473815 CONVSTATUS= FAIL E_curr: NEW= 5.010894e-34 OLD= 4.9890597e-34 DIFF= 2.1834341e-36 CONVSTATUS= PASS E_potext: NEW= 0.1342339 OLD= 0.2297541 DIFF= -0.095520201 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41900716 OLD= 0.83377031 DIFF= -0.41476315 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -72.09818794 # FUNCTION CHANGED BY: -85.84640718 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.95: rt_diag= 3.69[93.45%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.30%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.01[ 0.37%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 8 0... # DIAGONALIZATION 8 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 8 1... # DIAGONALIZATION 8 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 8 2... # DIAGONALIZATION 8 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 8 3... # DIAGONALIZATION 8 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 8 4... # DIAGONALIZATION 8 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 8 5... # DIAGONALIZATION 8 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 8 6... # DIAGONALIZATION 8 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 8 7... # DIAGONALIZATION 8 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 8 8... # DIAGONALIZATION 8 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35952 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35952 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=8 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=8 SPINA: NEW= 521.36295 OLD= 520.50537 DIFF= 0.85758264 CONVSTATUS= PASS NPARTCONV= 0.021362949 SPINB: NEW= 521.36295 OLD= 520.50537 DIFF= 0.85758264 CONVSTATUS= PASS NPARTCONV= 0.021362949 # CONVERGENCE REPORT ENERGY: it=8 [in Effg=312.817769 units] E_kin: NEW= 1.5923412 OLD= 1.5858879 DIFF= 0.0064533883 CONVSTATUS= FAIL E_pot: NEW= -0.38698111 OLD= -0.38641437 DIFF= -0.00056674073 CONVSTATUS= FAIL E_pair: NEW= -0.89516409 OLD= -0.91516865 DIFF= 0.020004553 CONVSTATUS= FAIL E_curr: NEW= 4.50603e-34 OLD= 5.0026517e-34 DIFF= -4.9662162e-35 CONVSTATUS= PASS E_potext: NEW= 0.13469049 OLD= 0.1340131 DIFF= 0.00067738538 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.44488653 OLD= 0.41831794 DIFF= 0.026568586 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -64.12145079 # FUNCTION CHANGED BY: 7.97673715 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.97: rt_diag= 3.71[93.45%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.08%] rt_me= 0.17[ 4.28%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.02[ 0.39%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 9 0... # DIAGONALIZATION 9 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 9 1... # DIAGONALIZATION 9 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 9 2... # DIAGONALIZATION 9 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 9 3... # DIAGONALIZATION 9 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 9 4... # DIAGONALIZATION 9 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 9 5... # DIAGONALIZATION 9 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 9 6... # DIAGONALIZATION 9 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 9 7... # DIAGONALIZATION 9 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 9 8... # DIAGONALIZATION 9 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35928 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35928 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=9 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=9 SPINA: NEW= 511.46994 OLD= 521.36295 DIFF= -9.8930096 CONVSTATUS= PASS NPARTCONV= 0.011469939 SPINB: NEW= 511.46994 OLD= 521.36295 DIFF= -9.8930096 CONVSTATUS= PASS NPARTCONV= 0.011469939 # CONVERGENCE REPORT ENERGY: it=9 [in Effg=306.881964 units] E_kin: NEW= 1.5729557 OLD= 1.6231408 DIFF= -0.050185151 CONVSTATUS= FAIL E_pot: NEW= -0.38724577 OLD= -0.39446622 DIFF= 0.0072204473 CONVSTATUS= FAIL E_pair: NEW= -0.88955555 OLD= -0.91247863 DIFF= 0.022923089 CONVSTATUS= FAIL E_curr: NEW= 4.6341458e-34 OLD= 4.5931871e-34 DIFF= 4.0958756e-36 CONVSTATUS= PASS E_potext: NEW= 0.13001261 OLD= 0.13729571 DIFF= -0.0072831063 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.42616694 OLD= 0.45349166 DIFF= -0.02732472 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -68.64943197 # FUNCTION CHANGED BY: -4.52798118 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.99: rt_diag= 3.73[93.47%] rt_dens= 0.05[ 1.35%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.28%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.02[ 0.39%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 10 0... # DIAGONALIZATION 10 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 10 1... # DIAGONALIZATION 10 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 10 2... # DIAGONALIZATION 10 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 10 3... # DIAGONALIZATION 10 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 10 4... # DIAGONALIZATION 10 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 10 5... # DIAGONALIZATION 10 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 10 6... # DIAGONALIZATION 10 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 10 7... # DIAGONALIZATION 10 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 10 8... # DIAGONALIZATION 10 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35928 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35928 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=10 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=10 SPINA: NEW= 509.42911 OLD= 511.46994 DIFF= -2.0408246 CONVSTATUS= PASS NPARTCONV= 0.0094291146 SPINB: NEW= 509.42911 OLD= 511.46994 DIFF= -2.0408246 CONVSTATUS= PASS NPARTCONV= 0.0094291146 # CONVERGENCE REPORT ENERGY: it=10 [in Effg=305.657469 units] E_kin: NEW= 1.5684624 OLD= 1.5792571 DIFF= -0.010794629 CONVSTATUS= FAIL E_pot: NEW= -0.38731193 OLD= -0.38879712 DIFF= 0.0014851884 CONVSTATUS= FAIL E_pair: NEW= -0.88475823 OLD= -0.8931192 DIFF= 0.0083609668 CONVSTATUS= FAIL E_curr: NEW= 4.7119243e-34 OLD= 4.6527107e-34 DIFF= 5.9213659e-36 CONVSTATUS= PASS E_potext: NEW= 0.12905331 OLD= 0.13053345 DIFF= -0.0014801408 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.42544559 OLD= 0.42787421 DIFF= -0.0024286149 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -68.59599784 # FUNCTION CHANGED BY: 0.05343413 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.97: rt_diag= 3.70[93.43%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.30%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.02[ 0.39%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 11 0... # DIAGONALIZATION 11 0 DONE [1 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 11 1... # DIAGONALIZATION 11 1 DONE [1 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 11 2... # DIAGONALIZATION 11 2 DONE [1 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 11 3... # DIAGONALIZATION 11 3 DONE [1 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 11 4... # DIAGONALIZATION 11 4 DONE [1 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 11 5... # DIAGONALIZATION 11 5 DONE [1 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 11 6... # DIAGONALIZATION 11 6 DONE [1 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 11 7... # DIAGONALIZATION 11 7 DONE [1 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 11 8... # DIAGONALIZATION 11 8 DONE [1 sec] (EXTRACTED 255 STATES) # NWF=35928 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35928 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=11 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=11 SPINA: NEW= 507.564 OLD= 509.42911 DIFF= -1.8651192 CONVSTATUS= PASS NPARTCONV= 0.0075639954 SPINB: NEW= 507.564 OLD= 509.42911 DIFF= -1.8651192 CONVSTATUS= PASS NPARTCONV= 0.0075639954 # CONVERGENCE REPORT ENERGY: it=11 [in Effg=304.538397 units] E_kin: NEW= 1.564824 OLD= 1.574226 DIFF= -0.0094019415 CONVSTATUS= FAIL E_pot: NEW= -0.3874457 OLD= -0.38873516 DIFF= 0.001289462 CONVSTATUS= FAIL E_pair: NEW= -0.87567435 OLD= -0.8880094 DIFF= 0.012335049 CONVSTATUS= FAIL E_curr: NEW= 5.0386743e-34 OLD= 4.729239e-34 DIFF= 3.0943534e-35 CONVSTATUS= PASS E_potext: NEW= 0.12810937 OLD= 0.12952753 DIFF= -0.0014181676 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.42981336 OLD= 0.42700896 DIFF= 0.002804402 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -67.01470239 # FUNCTION CHANGED BY: 1.58129544 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.84: rt_diag= 4.53[93.60%] rt_dens= 0.07[ 1.36%] rt_pot= 0.00[ 0.06%] rt_me= 0.21[ 4.30%] rt_redistrib= 0.02[ 0.39%] rt_other= 0.01[ 0.29%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 12 0... # DIAGONALIZATION 12 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 12 1... # DIAGONALIZATION 12 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 12 2... # DIAGONALIZATION 12 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 12 3... # DIAGONALIZATION 12 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 12 4... # DIAGONALIZATION 12 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 12 5... # DIAGONALIZATION 12 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 12 6... # DIAGONALIZATION 12 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 12 7... # DIAGONALIZATION 12 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 12 8... # DIAGONALIZATION 12 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35920 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35920 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=12 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=12 SPINA: NEW= 503.5325 OLD= 507.564 DIFF= -4.0314935 CONVSTATUS= PASS NPARTCONV= 0.0035325019 SPINB: NEW= 503.5325 OLD= 507.564 DIFF= -4.0314935 CONVSTATUS= PASS NPARTCONV= 0.0035325019 # CONVERGENCE REPORT ENERGY: it=12 [in Effg=302.119501 units] E_kin: NEW= 1.5580572 OLD= 1.5773527 DIFF= -0.019295502 CONVSTATUS= FAIL E_pot: NEW= -0.38786138 OLD= -0.39054776 DIFF= 0.0026863806 CONVSTATUS= FAIL E_pair: NEW= -0.87437112 OLD= -0.88268537 DIFF= 0.0083142492 CONVSTATUS= FAIL E_curr: NEW= 4.5762607e-34 OLD= 5.0790161e-34 DIFF= -5.027554e-35 CONVSTATUS= PASS E_potext: NEW= 0.12597335 OLD= 0.12913506 DIFF= -0.0031617125 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.42179804 OLD= 0.43325462 DIFF= -0.011456585 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -68.90399999 # FUNCTION CHANGED BY: -1.88929760 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.98: rt_diag= 3.72[93.42%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.30%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.02[ 0.39%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 13 0... # DIAGONALIZATION 13 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 13 1... # DIAGONALIZATION 13 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 13 2... # DIAGONALIZATION 13 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 13 3... # DIAGONALIZATION 13 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 13 4... # DIAGONALIZATION 13 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 13 5... # DIAGONALIZATION 13 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 13 6... # DIAGONALIZATION 13 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 13 7... # DIAGONALIZATION 13 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 13 8... # DIAGONALIZATION 13 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=13 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=13 SPINA: NEW= 502.76147 OLD= 503.5325 DIFF= -0.77103141 CONVSTATUS= PASS NPARTCONV= 0.0027614705 SPINB: NEW= 502.76147 OLD= 503.5325 DIFF= -0.77103141 CONVSTATUS= PASS NPARTCONV= 0.0027614705 # CONVERGENCE REPORT ENERGY: it=13 [in Effg=301.656882 units] E_kin: NEW= 1.5574305 OLD= 1.5604466 DIFF= -0.0030161611 CONVSTATUS= FAIL E_pot: NEW= -0.38798753 OLD= -0.3884562 DIFF= 0.00046866234 CONVSTATUS= FAIL E_pair: NEW= -0.87155626 OLD= -0.87571205 DIFF= 0.0041557947 CONVSTATUS= FAIL E_curr: NEW= 3.9555186e-34 OLD= 4.5832788e-34 DIFF= -6.2776025e-35 CONVSTATUS= PASS E_potext: NEW= 0.12553076 OLD= 0.12616654 DIFF= -0.00063577878 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.42341742 OLD= 0.42244491 DIFF= 0.00097251709 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -68.30999292 # FUNCTION CHANGED BY: 0.59400707 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.97: rt_diag= 3.71[93.48%] rt_dens= 0.05[ 1.36%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.29%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.35%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 14 0... # DIAGONALIZATION 14 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 14 1... # DIAGONALIZATION 14 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 14 2... # DIAGONALIZATION 14 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 14 3... # DIAGONALIZATION 14 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 14 4... # DIAGONALIZATION 14 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 14 5... # DIAGONALIZATION 14 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 14 6... # DIAGONALIZATION 14 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 14 7... # DIAGONALIZATION 14 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 14 8... # DIAGONALIZATION 14 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=14 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=14 SPINA: NEW= 500.9032 OLD= 502.76147 DIFF= -1.8582702 CONVSTATUS= PASS NPARTCONV= 0.00090320036 SPINB: NEW= 500.9032 OLD= 502.76147 DIFF= -1.8582702 CONVSTATUS= PASS NPARTCONV= 0.00090320036 # CONVERGENCE REPORT ENERGY: it=14 [in Effg=300.541920 units] E_kin: NEW= 1.5561439 OLD= 1.5632083 DIFF= -0.0070643853 CONVSTATUS= FAIL E_pot: NEW= -0.38836926 OLD= -0.38942691 DIFF= 0.0010576499 CONVSTATUS= FAIL E_pair: NEW= -0.8729787 OLD= -0.87478959 DIFF= 0.001810892 CONVSTATUS= FAIL E_curr: NEW= 4.6906657e-34 OLD= 3.9701929e-34 DIFF= 7.2047275e-35 CONVSTATUS= PASS E_potext: NEW= 0.12440627 OLD= 0.12599646 DIFF= -0.0015901948 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.4192022 OLD= 0.42498823 DIFF= -0.0057860382 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.32436317 # FUNCTION CHANGED BY: -1.01437025 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.10: rt_diag= 3.78[92.07%] rt_dens= 0.12[ 2.84%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.21%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.02[ 0.38%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 15 0... # DIAGONALIZATION 15 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 15 1... # DIAGONALIZATION 15 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 15 2... # DIAGONALIZATION 15 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 15 3... # DIAGONALIZATION 15 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 15 4... # DIAGONALIZATION 15 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 15 5... # DIAGONALIZATION 15 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 15 6... # DIAGONALIZATION 15 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 15 7... # DIAGONALIZATION 15 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 15 8... # DIAGONALIZATION 15 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=15 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=15 SPINA: NEW= 501.23966 OLD= 500.9032 DIFF= 0.33645605 CONVSTATUS= PASS NPARTCONV= 0.0012396564 SPINB: NEW= 501.23966 OLD= 500.9032 DIFF= 0.33645605 CONVSTATUS= PASS NPARTCONV= 0.0012396564 # CONVERGENCE REPORT ENERGY: it=15 [in Effg=300.743794 units] E_kin: NEW= 1.5568695 OLD= 1.5550993 DIFF= 0.0017701725 CONVSTATUS= FAIL E_pot: NEW= -0.38843123 OLD= -0.38810856 DIFF= -0.00032266227 CONVSTATUS= FAIL E_pair: NEW= -0.87286846 OLD= -0.87239271 DIFF= -0.00047574755 CONVSTATUS= FAIL E_curr: NEW= 4.394368e-34 OLD= 4.6875171e-34 DIFF= -2.9314904e-35 CONVSTATUS= PASS E_potext: NEW= 0.12449944 OLD= 0.12432276 DIFF= 0.00017668252 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.42006925 OLD= 0.41892081 DIFF= 0.0011484452 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.11016635 # FUNCTION CHANGED BY: 0.21419682 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.00: rt_diag= 3.73[93.45%] rt_dens= 0.05[ 1.36%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.32%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.02[ 0.38%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 16 0... # DIAGONALIZATION 16 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 16 1... # DIAGONALIZATION 16 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 16 2... # DIAGONALIZATION 16 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 16 3... # DIAGONALIZATION 16 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 16 4... # DIAGONALIZATION 16 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 16 5... # DIAGONALIZATION 16 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 16 6... # DIAGONALIZATION 16 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 16 7... # DIAGONALIZATION 16 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 16 8... # DIAGONALIZATION 16 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=16 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=16 SPINA: NEW= 501.06079 OLD= 501.23966 DIFF= -0.17886862 CONVSTATUS= PASS NPARTCONV= 0.0010607878 SPINB: NEW= 501.06079 OLD= 501.23966 DIFF= -0.17886862 CONVSTATUS= PASS NPARTCONV= 0.0010607878 # CONVERGENCE REPORT ENERGY: it=16 [in Effg=300.636473 units] E_kin: NEW= 1.5572501 OLD= 1.5574253 DIFF= -0.00017518702 CONVSTATUS= FAIL E_pot: NEW= -0.38861071 OLD= -0.38856989 DIFF= -4.0817536e-05 CONVSTATUS= FAIL E_pair: NEW= -0.87367218 OLD= -0.87318006 DIFF= -0.00049212446 CONVSTATUS= FAIL E_curr: NEW= 4.0592631e-34 OLD= 4.3959367e-34 DIFF= -3.366736e-35 CONVSTATUS= PASS E_potext: NEW= 0.12427494 OLD= 0.12454389 DIFF= -0.00026894844 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41924213 OLD= 0.42021921 DIFF= -0.00097707746 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.33416701 # FUNCTION CHANGED BY: -0.22400066 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.40: rt_diag= 3.73[84.76%] rt_dens= 0.45[10.24%] rt_pot= 0.01[ 0.16%] rt_me= 0.17[ 3.90%] rt_redistrib= 0.02[ 0.40%] rt_other= 0.02[ 0.54%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 17 0... # DIAGONALIZATION 17 0 DONE [1 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 17 1... # DIAGONALIZATION 17 1 DONE [1 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 17 2... # DIAGONALIZATION 17 2 DONE [1 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 17 3... # DIAGONALIZATION 17 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 17 4... # DIAGONALIZATION 17 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 17 5... # DIAGONALIZATION 17 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 17 6... # DIAGONALIZATION 17 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 17 7... # DIAGONALIZATION 17 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 17 8... # DIAGONALIZATION 17 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=17 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=17 SPINA: NEW= 501.28796 OLD= 501.06079 DIFF= 0.22717005 CONVSTATUS= PASS NPARTCONV= 0.0012879578 SPINB: NEW= 501.28796 OLD= 501.06079 DIFF= 0.22717005 CONVSTATUS= PASS NPARTCONV= 0.0012879578 # CONVERGENCE REPORT ENERGY: it=17 [in Effg=300.772775 units] E_kin: NEW= 1.5580327 OLD= 1.5565444 DIFF= 0.0014882809 CONVSTATUS= FAIL E_pot: NEW= -0.38870217 OLD= -0.3884346 DIFF= -0.00026757057 CONVSTATUS= FAIL E_pair: NEW= -0.87430711 OLD= -0.87327626 DIFF= -0.0010308523 CONVSTATUS= FAIL E_curr: NEW= 4.844294e-34 OLD= 4.0574236e-34 DIFF= 7.868704e-35 CONVSTATUS= PASS E_potext: NEW= 0.1242973 OLD= 0.12421862 DIFF= 7.8682543e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41932068 OLD= 0.41905214 DIFF= 0.00026854061 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.34197546 # FUNCTION CHANGED BY: -0.00780845 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.65: rt_diag= 4.01[86.26%] rt_dens= 0.39[ 8.45%] rt_pot= 0.00[ 0.06%] rt_me= 0.21[ 4.51%] rt_redistrib= 0.02[ 0.39%] rt_other= 0.02[ 0.33%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 18 0... # DIAGONALIZATION 18 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 18 1... # DIAGONALIZATION 18 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 18 2... # DIAGONALIZATION 18 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 18 3... # DIAGONALIZATION 18 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 18 4... # DIAGONALIZATION 18 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 18 5... # DIAGONALIZATION 18 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 18 6... # DIAGONALIZATION 18 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 18 7... # DIAGONALIZATION 18 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 18 8... # DIAGONALIZATION 18 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=18 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=18 SPINA: NEW= 501.41669 OLD= 501.28796 DIFF= 0.12873449 CONVSTATUS= PASS NPARTCONV= 0.0014166923 SPINB: NEW= 501.41669 OLD= 501.28796 DIFF= 0.12873449 CONVSTATUS= PASS NPARTCONV= 0.0014166923 # CONVERGENCE REPORT ENERGY: it=18 [in Effg=300.850015 units] E_kin: NEW= 1.558996 OLD= 1.5576326 DIFF= 0.0013633373 CONVSTATUS= FAIL E_pot: NEW= -0.38888933 OLD= -0.38860237 DIFF= -0.00028695979 CONVSTATUS= FAIL E_pair: NEW= -0.87503656 OLD= -0.87408264 DIFF= -0.00095392032 CONVSTATUS= FAIL E_curr: NEW= 4.5577671e-34 OLD= 4.8430502e-34 DIFF= -2.8528312e-35 CONVSTATUS= PASS E_potext: NEW= 0.12419971 OLD= 0.12426539 DIFF= -6.5684507e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.4192698 OLD= 0.41921303 DIFF= 5.6772685e-05 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.37509156 # FUNCTION CHANGED BY: -0.03311610 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.95: rt_diag= 3.69[93.43%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.07%] rt_me= 0.17[ 4.34%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.36%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 19 0... # DIAGONALIZATION 19 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 19 1... # DIAGONALIZATION 19 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 19 2... # DIAGONALIZATION 19 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 19 3... # DIAGONALIZATION 19 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 19 4... # DIAGONALIZATION 19 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 19 5... # DIAGONALIZATION 19 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 19 6... # DIAGONALIZATION 19 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 19 7... # DIAGONALIZATION 19 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 19 8... # DIAGONALIZATION 19 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=19 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=19 SPINA: NEW= 501.60786 OLD= 501.41669 DIFF= 0.19116609 CONVSTATUS= PASS NPARTCONV= 0.0016078584 SPINB: NEW= 501.60786 OLD= 501.41669 DIFF= 0.19116609 CONVSTATUS= PASS NPARTCONV= 0.0016078584 # CONVERGENCE REPORT ENERGY: it=19 [in Effg=300.964715 units] E_kin: NEW= 1.5597532 OLD= 1.5584018 DIFF= 0.0013513593 CONVSTATUS= FAIL E_pot: NEW= -0.3890105 OLD= -0.38874112 DIFF= -0.00026938052 CONVSTATUS= FAIL E_pair: NEW= -0.87541587 OLD= -0.87470308 DIFF= -0.00071279499 CONVSTATUS= FAIL E_curr: NEW= 4.5102099e-34 OLD= 4.5560301e-34 DIFF= -4.5820248e-36 CONVSTATUS= PASS E_potext: NEW= 0.12418316 OLD= 0.12415237 DIFF= 3.078338e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41950998 OLD= 0.41911001 DIFF= 0.00039996716 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.32925504 # FUNCTION CHANGED BY: 0.04583651 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.96: rt_diag= 3.70[93.48%] rt_dens= 0.05[ 1.36%] rt_pot= 0.00[ 0.06%] rt_me= 0.17[ 4.29%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.37%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 20 0... # DIAGONALIZATION 20 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 20 1... # DIAGONALIZATION 20 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 20 2... # DIAGONALIZATION 20 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 20 3... # DIAGONALIZATION 20 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 20 4... # DIAGONALIZATION 20 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 20 5... # DIAGONALIZATION 20 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 20 6... # DIAGONALIZATION 20 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 20 7... # DIAGONALIZATION 20 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 20 8... # DIAGONALIZATION 20 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=20 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=20 SPINA: NEW= 501.70643 OLD= 501.60786 DIFF= 0.098567965 CONVSTATUS= PASS NPARTCONV= 0.0017064264 SPINB: NEW= 501.70643 OLD= 501.60786 DIFF= 0.098567965 CONVSTATUS= PASS NPARTCONV= 0.0017064264 # CONVERGENCE REPORT ENERGY: it=20 [in Effg=301.023856 units] E_kin: NEW= 1.5601218 OLD= 1.5594468 DIFF= 0.00067504998 CONVSTATUS= FAIL E_pot: NEW= -0.38905923 OLD= -0.38893408 DIFF= -0.00012515177 CONVSTATUS= FAIL E_pair: NEW= -0.8755989 OLD= -0.87524388 DIFF= -0.00035501619 CONVSTATUS= FAIL E_curr: NEW= 4.6986211e-34 OLD= 4.5093238e-34 DIFF= 1.8929732e-35 CONVSTATUS= PASS E_potext: NEW= 0.12418625 OLD= 0.12415876 DIFF= 2.7492625e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41964993 OLD= 0.41942756 DIFF= 0.00022237465 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.30074859 # FUNCTION CHANGED BY: 0.02850645 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.95: rt_diag= 3.69[93.24%] rt_dens= 0.06[ 1.55%] rt_pot= 0.00[ 0.09%] rt_me= 0.17[ 4.32%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.36%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 21 0... # DIAGONALIZATION 21 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 21 1... # DIAGONALIZATION 21 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 21 2... # DIAGONALIZATION 21 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 21 3... # DIAGONALIZATION 21 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 21 4... # DIAGONALIZATION 21 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 21 5... # DIAGONALIZATION 21 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 21 6... # DIAGONALIZATION 21 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 21 7... # DIAGONALIZATION 21 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 21 8... # DIAGONALIZATION 21 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=21 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=21 SPINA: NEW= 501.73549 OLD= 501.70643 DIFF= 0.029061779 CONVSTATUS= PASS NPARTCONV= 0.0017354882 SPINB: NEW= 501.73549 OLD= 501.70643 DIFF= 0.029061779 CONVSTATUS= PASS NPARTCONV= 0.0017354882 # CONVERGENCE REPORT ENERGY: it=21 [in Effg=301.041293 units] E_kin: NEW= 1.5603305 OLD= 1.5600314 DIFF= 0.00029905036 CONVSTATUS= FAIL E_pot: NEW= -0.38909039 OLD= -0.38903669 DIFF= -5.369383e-05 CONVSTATUS= FAIL E_pair: NEW= -0.87558741 OLD= -0.87554818 DIFF= -3.9223183e-05 CONVSTATUS= FAIL E_curr: NEW= 4.5408845e-34 OLD= 4.6983489e-34 DIFF= -1.5746444e-35 CONVSTATUS= PASS E_potext: NEW= 0.1241738 OLD= 0.12417906 DIFF= -5.2631871e-06 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.4198265 OLD= 0.41962563 DIFF= 0.00020087016 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.25161015 # FUNCTION CHANGED BY: 0.04913844 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.06: rt_diag= 3.68[90.58%] rt_dens= 0.07[ 1.75%] rt_pot= 0.00[ 0.06%] rt_me= 0.17[ 4.16%] rt_redistrib= 0.02[ 0.42%] rt_other= 0.12[ 3.03%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 22 0... # DIAGONALIZATION 22 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 22 1... # DIAGONALIZATION 22 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 22 2... # DIAGONALIZATION 22 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 22 3... # DIAGONALIZATION 22 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 22 4... # DIAGONALIZATION 22 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 22 5... # DIAGONALIZATION 22 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 22 6... # DIAGONALIZATION 22 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 22 7... # DIAGONALIZATION 22 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 22 8... # DIAGONALIZATION 22 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=22 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=22 SPINA: NEW= 501.67719 OLD= 501.73549 DIFF= -0.058297374 CONVSTATUS= PASS NPARTCONV= 0.0016771908 SPINB: NEW= 501.67719 OLD= 501.73549 DIFF= -0.058297374 CONVSTATUS= PASS NPARTCONV= 0.0016771908 # CONVERGENCE REPORT ENERGY: it=22 [in Effg=301.006314 units] E_kin: NEW= 1.5603159 OLD= 1.5605118 DIFF= -0.00019594974 CONVSTATUS= FAIL E_pot: NEW= -0.38909331 OLD= -0.3891356 DIFF= 4.2287541e-05 CONVSTATUS= FAIL E_pair: NEW= -0.87559749 OLD= -0.87568915 DIFF= 9.1666032e-05 CONVSTATUS= FAIL E_curr: NEW= 4.8737865e-34 OLD= 4.5414122e-34 DIFF= 3.3237437e-35 CONVSTATUS= PASS E_potext: NEW= 0.12414718 OLD= 0.12418823 DIFF= -4.1048148e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41977224 OLD= 0.41987528 DIFF= -0.00010304431 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.25989583 # FUNCTION CHANGED BY: -0.00828567 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.98: rt_diag= 3.67[92.39%] rt_dens= 0.10[ 2.52%] rt_pot= 0.00[ 0.06%] rt_me= 0.17[ 4.25%] rt_redistrib= 0.02[ 0.42%] rt_other= 0.01[ 0.35%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 23 0... # DIAGONALIZATION 23 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 23 1... # DIAGONALIZATION 23 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 23 2... # DIAGONALIZATION 23 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 23 3... # DIAGONALIZATION 23 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 23 4... # DIAGONALIZATION 23 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 23 5... # DIAGONALIZATION 23 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 23 6... # DIAGONALIZATION 23 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 23 7... # DIAGONALIZATION 23 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 23 8... # DIAGONALIZATION 23 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=23 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=23 SPINA: NEW= 501.65481 OLD= 501.67719 DIFF= -0.022378404 CONVSTATUS= PASS NPARTCONV= 0.0016548124 SPINB: NEW= 501.65481 OLD= 501.67719 DIFF= -0.022378404 CONVSTATUS= PASS NPARTCONV= 0.0016548124 # CONVERGENCE REPORT ENERGY: it=23 [in Effg=300.992887 units] E_kin: NEW= 1.5602994 OLD= 1.5603855 DIFF= -8.6064678e-05 CONVSTATUS= FAIL E_pot: NEW= -0.3890933 OLD= -0.38911067 DIFF= 1.7369801e-05 CONVSTATUS= FAIL E_pair: NEW= -0.87555172 OLD= -0.87563655 DIFF= 8.483199e-05 CONVSTATUS= FAIL E_curr: NEW= 4.515137e-34 OLD= 4.8740039e-34 DIFF= -3.5886697e-35 CONVSTATUS= PASS E_potext: NEW= 0.12413799 OLD= 0.12415272 DIFF= -1.4728867e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41979237 OLD= 0.41979096 DIFF= 1.4082458e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.25074617 # FUNCTION CHANGED BY: 0.00914966 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.99: rt_diag= 3.67[92.13%] rt_dens= 0.11[ 2.76%] rt_pot= 0.00[ 0.06%] rt_me= 0.17[ 4.27%] rt_redistrib= 0.02[ 0.42%] rt_other= 0.01[ 0.37%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 24 0... # DIAGONALIZATION 24 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 24 1... # DIAGONALIZATION 24 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 24 2... # DIAGONALIZATION 24 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 24 3... # DIAGONALIZATION 24 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 24 4... # DIAGONALIZATION 24 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 24 5... # DIAGONALIZATION 24 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 24 6... # DIAGONALIZATION 24 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 24 7... # DIAGONALIZATION 24 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 24 8... # DIAGONALIZATION 24 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=24 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=24 SPINA: NEW= 501.63003 OLD= 501.65481 DIFF= -0.024786527 CONVSTATUS= PASS NPARTCONV= 0.0016300259 SPINB: NEW= 501.63003 OLD= 501.65481 DIFF= -0.024786527 CONVSTATUS= PASS NPARTCONV= 0.0016300259 # CONVERGENCE REPORT ENERGY: it=24 [in Effg=300.978016 units] E_kin: NEW= 1.5602451 OLD= 1.5603765 DIFF= -0.00013139625 CONVSTATUS= FAIL E_pot: NEW= -0.38909137 OLD= -0.38911253 DIFF= 2.1152867e-05 CONVSTATUS= FAIL E_pair: NEW= -0.87551324 OLD= -0.87559498 DIFF= 8.1740027e-05 CONVSTATUS= FAIL E_curr: NEW= 3.5829062e-34 OLD= 4.5153601e-34 DIFF= -9.324539e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412951 OLD= 0.12414412 DIFF= -1.4612282e-05 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41977 OLD= 0.41981312 DIFF= -4.3115634e-05 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.25405826 # FUNCTION CHANGED BY: -0.00331209 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.00: rt_diag= 3.69[92.13%] rt_dens= 0.11[ 2.77%] rt_pot= 0.00[ 0.06%] rt_me= 0.17[ 4.27%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.01[ 0.35%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 25 0... # DIAGONALIZATION 25 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 25 1... # DIAGONALIZATION 25 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 25 2... # DIAGONALIZATION 25 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 25 3... # DIAGONALIZATION 25 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 25 4... # DIAGONALIZATION 25 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 25 5... # DIAGONALIZATION 25 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 25 6... # DIAGONALIZATION 25 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 25 7... # DIAGONALIZATION 25 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 25 8... # DIAGONALIZATION 25 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=25 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=25 SPINA: NEW= 501.61847 OLD= 501.63003 DIFF= -0.011553183 CONVSTATUS= PASS NPARTCONV= 0.0016184727 SPINB: NEW= 501.61847 OLD= 501.63003 DIFF= -0.011553183 CONVSTATUS= PASS NPARTCONV= 0.0016184727 # CONVERGENCE REPORT ENERGY: it=25 [in Effg=300.971084 units] E_kin: NEW= 1.5602043 OLD= 1.560281 DIFF= -7.6751436e-05 CONVSTATUS= FAIL E_pot: NEW= -0.38908893 OLD= -0.38910034 DIFF= 1.1407866e-05 CONVSTATUS= FAIL E_pair: NEW= -0.87549961 OLD= -0.8755334 DIFF= 3.3796026e-05 CONVSTATUS= FAIL E_curr: NEW= 4.1359997e-34 OLD= 3.5829887e-34 DIFF= 5.53011e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412666 OLD= 0.12413237 DIFF= -5.7067935e-06 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41974241 OLD= 0.41977967 DIFF= -3.7254338e-05 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.26076592 # FUNCTION CHANGED BY: -0.00670766 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.00: rt_diag= 3.67[91.94%] rt_dens= 0.11[ 2.85%] rt_pot= 0.00[ 0.05%] rt_me= 0.17[ 4.25%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.02[ 0.48%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 26 0... # DIAGONALIZATION 26 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 26 1... # DIAGONALIZATION 26 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 26 2... # DIAGONALIZATION 26 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 26 3... # DIAGONALIZATION 26 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 26 4... # DIAGONALIZATION 26 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 26 5... # DIAGONALIZATION 26 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 26 6... # DIAGONALIZATION 26 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 26 7... # DIAGONALIZATION 26 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 26 8... # DIAGONALIZATION 26 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=26 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=26 SPINA: NEW= 501.61624 OLD= 501.61847 DIFF= -0.0022290102 CONVSTATUS= PASS NPARTCONV= 0.0016162437 SPINB: NEW= 501.61624 OLD= 501.61847 DIFF= -0.0022290102 CONVSTATUS= PASS NPARTCONV= 0.0016162437 # CONVERGENCE REPORT ENERGY: it=26 [in Effg=300.969746 units] E_kin: NEW= 1.5601994 OLD= 1.5602112 DIFF= -1.1862042e-05 CONVSTATUS= FAIL E_pot: NEW= -0.38908902 OLD= -0.38909066 DIFF= 1.6330675e-06 CONVSTATUS= FAIL E_pair: NEW= -0.87549854 OLD= -0.8755035 DIFF= 4.9589447e-06 CONVSTATUS= FAIL E_curr: NEW= 4.8671392e-34 OLD= 4.1360181e-34 DIFF= 7.3112113e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412567 OLD= 0.12412721 DIFF= -1.5410919e-06 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973747 OLD= 0.41974428 DIFF= -6.8111212e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.26194673 # FUNCTION CHANGED BY: -0.00118081 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.96: rt_diag= 3.68[92.86%] rt_dens= 0.08[ 2.03%] rt_pot= 0.00[ 0.05%] rt_me= 0.17[ 4.27%] rt_redistrib= 0.02[ 0.42%] rt_other= 0.01[ 0.35%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 27 0... # DIAGONALIZATION 27 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 27 1... # DIAGONALIZATION 27 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 27 2... # DIAGONALIZATION 27 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 27 3... # DIAGONALIZATION 27 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 27 4... # DIAGONALIZATION 27 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 27 5... # DIAGONALIZATION 27 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 27 6... # DIAGONALIZATION 27 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 27 7... # DIAGONALIZATION 27 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 27 8... # DIAGONALIZATION 27 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=27 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=27 SPINA: NEW= 501.61509 OLD= 501.61624 DIFF= -0.0011520999 CONVSTATUS= PASS NPARTCONV= 0.0016150916 SPINB: NEW= 501.61509 OLD= 501.61624 DIFF= -0.0011520999 CONVSTATUS= PASS NPARTCONV= 0.0016150916 # CONVERGENCE REPORT ENERGY: it=27 [in Effg=300.969055 units] E_kin: NEW= 1.5602021 OLD= 1.5602029 DIFF= -8.2107202e-07 CONVSTATUS= PASS E_pot: NEW= -0.38909021 OLD= -0.38908992 DIFF= -2.9656565e-07 CONVSTATUS= PASS E_pair: NEW= -0.87550091 OLD= -0.87550055 DIFF= -3.5733467e-07 CONVSTATUS= PASS E_curr: NEW= 4.076687e-34 OLD= 4.8671504e-34 DIFF= -7.9046343e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412427 OLD= 0.12412596 DIFF= -1.6848786e-06 CONVSTATUS= FAIL E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973527 OLD= 0.41973843 DIFF= -3.1598509e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.26244852 # FUNCTION CHANGED BY: -0.00050179 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.94: rt_diag= 3.68[93.41%] rt_dens= 0.06[ 1.41%] rt_pot= 0.00[ 0.05%] rt_me= 0.17[ 4.29%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.02[ 0.41%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 28 0... # DIAGONALIZATION 28 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 28 1... # DIAGONALIZATION 28 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 28 2... # DIAGONALIZATION 28 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 28 3... # DIAGONALIZATION 28 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 28 4... # DIAGONALIZATION 28 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 28 5... # DIAGONALIZATION 28 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 28 6... # DIAGONALIZATION 28 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 28 7... # DIAGONALIZATION 28 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 28 8... # DIAGONALIZATION 28 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=28 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=28 SPINA: NEW= 501.61478 OLD= 501.61509 DIFF= -0.00030793844 CONVSTATUS= PASS NPARTCONV= 0.0016147836 SPINB: NEW= 501.61478 OLD= 501.61509 DIFF= -0.00030793844 CONVSTATUS= PASS NPARTCONV= 0.0016147836 # CONVERGENCE REPORT ENERGY: it=28 [in Effg=300.968870 units] E_kin: NEW= 1.5602048 OLD= 1.5602031 DIFF= 1.7292198e-06 CONVSTATUS= FAIL E_pot: NEW= -0.38909074 OLD= -0.38909045 DIFF= -2.8167336e-07 CONVSTATUS= PASS E_pair: NEW= -0.87550103 OLD= -0.87550144 DIFF= 4.1422258e-07 CONVSTATUS= PASS E_curr: NEW= 4.3882915e-34 OLD= 4.0766895e-34 DIFF= 3.1160205e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412374 OLD= 0.12412435 DIFF= -6.029417e-07 CONVSTATUS= PASS E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973679 OLD= 0.41973553 DIFF= 1.2588273e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -69.26194958 # FUNCTION CHANGED BY: 0.00049894 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.93: rt_diag= 3.67[93.45%] rt_dens= 0.05[ 1.38%] rt_pot= 0.00[ 0.05%] rt_me= 0.17[ 4.29%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.02[ 0.40%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 29 0... # DIAGONALIZATION 29 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 29 1... # DIAGONALIZATION 29 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 29 2... # DIAGONALIZATION 29 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 29 3... # DIAGONALIZATION 29 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 29 4... # DIAGONALIZATION 29 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 29 5... # DIAGONALIZATION 29 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 29 6... # DIAGONALIZATION 29 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 29 7... # DIAGONALIZATION 29 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 29 8... # DIAGONALIZATION 29 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=29 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=29 SPINA: NEW= 501.61404 OLD= 501.61478 DIFF= -0.00074831137 CONVSTATUS= PASS NPARTCONV= 0.0016140353 SPINB: NEW= 501.61404 OLD= 501.61478 DIFF= -0.00074831137 CONVSTATUS= PASS NPARTCONV= 0.0016140353 # CONVERGENCE REPORT ENERGY: it=29 [in Effg=300.968421 units] E_kin: NEW= 1.5602039 OLD= 1.5602071 DIFF= -3.2824362e-06 CONVSTATUS= FAIL E_pot: NEW= -0.38909061 OLD= -0.38909132 DIFF= 7.0344627e-07 CONVSTATUS= PASS E_pair: NEW= -0.87550034 OLD= -0.87550234 DIFF= 1.9924484e-06 CONVSTATUS= FAIL E_curr: NEW= 3.9107538e-34 OLD= 4.3882981e-34 DIFF= -4.7754425e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412354 OLD= 0.12412393 DIFF= -3.8899118e-07 CONVSTATUS= PASS E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973644 OLD= 0.41973741 DIFF= -9.7553274e-07 CONVSTATUS= PASS # MINIMIZATION FUNCTION: -69.26195140 # FUNCTION CHANGED BY: -0.00000182 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 3.99: rt_diag= 3.73[93.47%] rt_dens= 0.05[ 1.37%] rt_pot= 0.00[ 0.05%] rt_me= 0.17[ 4.28%] rt_redistrib= 0.02[ 0.43%] rt_other= 0.02[ 0.40%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 30 0... # DIAGONALIZATION 30 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 30 1... # DIAGONALIZATION 30 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 30 2... # DIAGONALIZATION 30 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 30 3... # DIAGONALIZATION 30 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 30 4... # DIAGONALIZATION 30 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 30 5... # DIAGONALIZATION 30 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 30 6... # DIAGONALIZATION 30 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 30 7... # DIAGONALIZATION 30 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 30 8... # DIAGONALIZATION 30 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=30 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=30 SPINA: NEW= 501.6139 OLD= 501.61404 DIFF= -0.00013631488 CONVSTATUS= PASS NPARTCONV= 0.001613899 SPINB: NEW= 501.6139 OLD= 501.61404 DIFF= -0.00013631488 CONVSTATUS= PASS NPARTCONV= 0.001613899 # CONVERGENCE REPORT ENERGY: it=30 [in Effg=300.968339 units] E_kin: NEW= 1.5602017 OLD= 1.5602043 DIFF= -2.5774054e-06 CONVSTATUS= FAIL E_pot: NEW= -0.38909019 OLD= -0.38909072 DIFF= 5.322802e-07 CONVSTATUS= PASS E_pair: NEW= -0.87549946 OLD= -0.87550058 DIFF= 1.1169613e-06 CONVSTATUS= FAIL E_curr: NEW= 4.5812181e-34 OLD= 3.9107549e-34 DIFF= 6.7046327e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412382 OLD= 0.12412357 DIFF= 2.4994258e-07 CONVSTATUS= PASS E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973588 OLD= 0.41973655 DIFF= -6.7822124e-07 CONVSTATUS= PASS # MINIMIZATION FUNCTION: -69.26210237 # FUNCTION CHANGED BY: -0.00015097 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.14: rt_diag= 3.87[93.52%] rt_dens= 0.06[ 1.35%] rt_pot= 0.00[ 0.05%] rt_me= 0.18[ 4.31%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.33%] # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 31 0... # DIAGONALIZATION 31 0 DONE [0 sec] (EXTRACTED 256 STATES) # DIAGONALIZATION 31 1... # DIAGONALIZATION 31 1 DONE [0 sec] (EXTRACTED 255 STATES) # DIAGONALIZATION 31 2... # DIAGONALIZATION 31 2 DONE [0 sec] (EXTRACTED 253 STATES) # DIAGONALIZATION 31 3... # DIAGONALIZATION 31 3 DONE [0 sec] (EXTRACTED 243 STATES) # DIAGONALIZATION 31 4... # DIAGONALIZATION 31 4 DONE [0 sec] (EXTRACTED 227 STATES) # DIAGONALIZATION 31 5... # DIAGONALIZATION 31 5 DONE [0 sec] (EXTRACTED 207 STATES) # DIAGONALIZATION 31 6... # DIAGONALIZATION 31 6 DONE [0 sec] (EXTRACTED 177 STATES) # DIAGONALIZATION 31 7... # DIAGONALIZATION 31 7 DONE [0 sec] (EXTRACTED 135 STATES) # DIAGONALIZATION 31 8... # DIAGONALIZATION 31 8 DONE [0 sec] (EXTRACTED 255 STATES) # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE BROY: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: BROYDEN MIXING # ENTROPY [T/eF= 1e-09]: it=31 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=31 SPINA: NEW= 501.61405 OLD= 501.6139 DIFF= 0.00015481495 CONVSTATUS= PASS NPARTCONV= 0.0016140538 SPINB: NEW= 501.61405 OLD= 501.6139 DIFF= 0.00015481495 CONVSTATUS= PASS NPARTCONV= 0.0016140538 # CONVERGENCE REPORT ENERGY: it=31 [in Effg=300.968432 units] E_kin: NEW= 1.5602006 OLD= 1.5602012 DIFF= -6.1511897e-07 CONVSTATUS= PASS E_pot: NEW= -0.38908995 OLD= -0.38909007 DIFF= 1.1541981e-07 CONVSTATUS= PASS E_pair: NEW= -0.87549851 OLD= -0.87549919 DIFF= 6.8226961e-07 CONVSTATUS= PASS E_curr: NEW= 4.697482e-34 OLD= 4.5812167e-34 DIFF= 1.1626531e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412408 OLD= 0.12412379 DIFF= 2.9276921e-07 CONVSTATUS= PASS E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973622 OLD= 0.41973575 DIFF= 4.7533965e-07 CONVSTATUS= PASS # MINIMIZATION FUNCTION: -69.26201968 # FUNCTION CHANGED BY: 0.00008270 # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.26: rt_diag= 3.98[93.45%] rt_dens= 0.06[ 1.38%] rt_pot= 0.00[ 0.06%] rt_me= 0.18[ 4.32%] rt_redistrib= 0.02[ 0.44%] rt_other= 0.01[ 0.35%] # ALGORITHM CONVERGED! # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DIAGONALIZATION 32 0... # WRITING WAVE-FUNCTIONS FOR ikz=9 AND |E_n/eF|<1e+12 # WRITING WAVE-FUNCTIONS FOR ikz=26 AND |E_n/eF|<1e+12 # WRITING WAVE-FUNCTIONS FOR ikz=18 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=26 TOOK 0.0 SEC. WRITTEN 1.26MB. WRITTEN STATES=161 # DATA WRITING FOR ikz=9 TOOK 0.0 SEC. WRITTEN 1.96MB. WRITTEN STATES=251 # DIAGONALIZATION 32 0 DONE [0 sec] (EXTRACTED 256 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=0 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=18 TOOK 0.1 SEC. WRITTEN 1.54MB. WRITTEN STATES=197 # DATA WRITING FOR ikz=0 TOOK 0.1 SEC. WRITTEN 2.00MB. WRITTEN STATES=256 # DIAGONALIZATION 32 1... # WRITING WAVE-FUNCTIONS FOR ikz=27 AND |E_n/eF|<1e+12 # WRITING WAVE-FUNCTIONS FOR ikz=10 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=27 TOOK 0.0 SEC. WRITTEN 0.96MB. WRITTEN STATES=123 # DATA WRITING FOR ikz=10 TOOK 0.0 SEC. WRITTEN 1.88MB. WRITTEN STATES=241 # WRITING WAVE-FUNCTIONS FOR ikz=19 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=19 TOOK 0.0 SEC. WRITTEN 1.29MB. WRITTEN STATES=165 # DIAGONALIZATION 32 1 DONE [0 sec] (EXTRACTED 255 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=1 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=1 TOOK 0.0 SEC. WRITTEN 1.99MB. WRITTEN STATES=255 # DIAGONALIZATION 32 2... # WRITING WAVE-FUNCTIONS FOR ikz=28 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=28 TOOK 0.0 SEC. WRITTEN 0.29MB. WRITTEN STATES=37 # WRITING WAVE-FUNCTIONS FOR ikz=11 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=11 TOOK 0.0 SEC. WRITTEN 1.76MB. WRITTEN STATES=225 # WRITING WAVE-FUNCTIONS FOR ikz=20 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=20 TOOK 0.0 SEC. WRITTEN 0.91MB. WRITTEN STATES=117 # DIAGONALIZATION 32 2 DONE [0 sec] (EXTRACTED 253 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=2 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=2 TOOK 0.0 SEC. WRITTEN 1.98MB. WRITTEN STATES=253 # DIAGONALIZATION 32 3... # WRITING WAVE-FUNCTIONS FOR ikz=29 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=29 TOOK 0.0 SEC. WRITTEN 0.59MB. WRITTEN STATES=75 # WRITING WAVE-FUNCTIONS FOR ikz=12 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=12 TOOK 0.0 SEC. WRITTEN 1.59MB. WRITTEN STATES=203 # WRITING WAVE-FUNCTIONS FOR ikz=21 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=21 TOOK 0.0 SEC. WRITTEN 1.74MB. WRITTEN STATES=223 # DIAGONALIZATION 32 3 DONE [0 sec] (EXTRACTED 243 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=3 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=3 TOOK 0.0 SEC. WRITTEN 1.90MB. WRITTEN STATES=243 # DIAGONALIZATION 32 4... # WRITING WAVE-FUNCTIONS FOR ikz=22 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=22 TOOK 0.0 SEC. WRITTEN 1.43MB. WRITTEN STATES=183 # DIAGONALIZATION 32 4 DONE [0 sec] (EXTRACTED 227 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=4 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=4 TOOK 0.0 SEC. WRITTEN 1.77MB. WRITTEN STATES=227 # WRITING WAVE-FUNCTIONS FOR ikz=13 AND |E_n/eF|<1e+12 # DIAGONALIZATION 32 5... # DATA WRITING FOR ikz=13 TOOK 0.0 SEC. WRITTEN 1.37MB. WRITTEN STATES=175 # WRITING WAVE-FUNCTIONS FOR ikz=23 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=23 TOOK 0.0 SEC. WRITTEN 1.16MB. WRITTEN STATES=149 # DIAGONALIZATION 32 5 DONE [0 sec] (EXTRACTED 207 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=5 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=5 TOOK 0.0 SEC. WRITTEN 1.62MB. WRITTEN STATES=207 # DIAGONALIZATION 32 6... # WRITING WAVE-FUNCTIONS FOR ikz=14 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=14 TOOK 0.0 SEC. WRITTEN 1.02MB. WRITTEN STATES=131 # WRITING WAVE-FUNCTIONS FOR ikz=24 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=24 TOOK 0.0 SEC. WRITTEN 0.73MB. WRITTEN STATES=93 # DIAGONALIZATION 32 6 DONE [0 sec] (EXTRACTED 177 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=6 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=6 TOOK 0.0 SEC. WRITTEN 1.38MB. WRITTEN STATES=177 # DIAGONALIZATION 32 7... # WRITING WAVE-FUNCTIONS FOR ikz=15 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=15 TOOK 0.0 SEC. WRITTEN 1.91MB. WRITTEN STATES=245 # WRITING WAVE-FUNCTIONS FOR ikz=25 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=25 TOOK 0.0 SEC. WRITTEN 1.48MB. WRITTEN STATES=189 # DIAGONALIZATION 32 7 DONE [0 sec] (EXTRACTED 135 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=7 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=7 TOOK 0.0 SEC. WRITTEN 1.05MB. WRITTEN STATES=135 # DIAGONALIZATION 32 8... # WRITING WAVE-FUNCTIONS FOR ikz=16 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=16 TOOK 0.0 SEC. WRITTEN 1.84MB. WRITTEN STATES=235 # DIAGONALIZATION 32 8 DONE [0 sec] (EXTRACTED 255 STATES) # WRITING WAVE-FUNCTIONS FOR ikz=8 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=8 TOOK 0.0 SEC. WRITTEN 1.99MB. WRITTEN STATES=255 # SYSTEM: cp -f jj-r1_checkpoint.dat jj-r1/checkpoint.dat # SYSTEM: cp -f jj-r1_checkpoint.dat.init jj-r1/checkpoint.dat.init # WRITING WAVE-FUNCTIONS FOR ikz=17 AND |E_n/eF|<1e+12 # DATA WRITING FOR ikz=17 TOOK 0.0 SEC. WRITTEN 1.71MB. WRITTEN STATES=219 # NWF=35912 # NUMBER OF EXTRACTED nwf IN ENERGY RANGE [-ecut,+ecut] IS 35912 (27.4% OF TOTAL NUMBER OF STATES) # REFERENCE VALUES: kF=1.000000, eF=0.500000 # MUCHANGE FROM: mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # MUCHANGE TO : mu_a/eF= 0.38992004 mu_b/eF= 0.38992004 # DENSITIES MIX: SPECIAL CASE: SAVING ITERATION! MIXING SKIPPED! # ENTROPY [T/eF= 1e-09]: it=32 S/NkB: NEW= 0 OLD= 0 DIFF= 0 # CONVERGENCE REPORT PARTICLE NUMBER: it=32 SPINA: NEW= 501.6141 OLD= 501.61405 DIFF= 4.2457896e-05 CONVSTATUS= PASS NPARTCONV= 0.0016140963 SPINB: NEW= 501.6141 OLD= 501.61405 DIFF= 4.2457896e-05 CONVSTATUS= PASS NPARTCONV= 0.0016140963 # CONVERGENCE REPORT ENERGY: it=32 [in Effg=300.968458 units] E_kin: NEW= 1.5601995 OLD= 1.5602005 DIFF= -9.3797115e-07 CONVSTATUS= PASS E_pot: NEW= -0.38908978 OLD= -0.38908992 DIFF= 1.3571914e-07 CONVSTATUS= PASS E_pair: NEW= -0.87549813 OLD= -0.87549844 DIFF= 3.0499397e-07 CONVSTATUS= PASS E_curr: NEW= 4.0604127e-34 OLD= 4.6974816e-34 DIFF= -6.3706897e-35 CONVSTATUS= PASS E_potext: NEW= 0.12412424 OLD= 0.12412407 DIFF= 1.6942159e-07 CONVSTATUS= PASS E_pairext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_velext: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS ------------------------------------------------------------------------------------------ E_tot: NEW= 0.41973586 OLD= 0.41973619 DIFF= -3.2783645e-07 CONVSTATUS= PASS # MINIMIZATION FUNCTION: -69.26213490 # FUNCTION CHANGED BY: -0.00011522 # CREATING CHECK STAMP FILE: `jj-r1_check.stamp` # WRITING CHECKPOINT FILE `jj-r1_checkpoint.dat` # TIMING rt_tot= 4.48: rt_diag= 3.89[86.81%] rt_dens= 0.17[ 3.81%] rt_pot= 0.00[ 0.04%] rt_me= 0.20[ 4.53%] rt_redistrib= 0.02[ 0.39%] rt_other= 0.20[ 4.41%] # CREATING WAVE-FUNCTIONS REPRODUCIBILITY PACK: jj-r1/reprowf.tar # SYSTEM: tar -cf jj-r1/reprowf.tar jj-r1_machine.h jj-r1_predefines.h jj-r1_problem-definition.h jj-r1_logger.h jj-r1/checkpoint.dat* jj-r1_input.txt jj-r1.wlog jj-r1.stdout jj-r1_check.stamp # EXTRA SAVING ITERATION DONE.