# CODE: ST-WSLDA-2D # LATTICE: 48 x 48 x 16 # USING ELPA. # ENERGY DENSITY FUNCTIONAL: BDG # SPINSYMMETRY MODE IS ACTIVE. # GROUP 1 WITH 4 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 1 COMPUTES FOR 2 k-values [2,4) # GROUP 2 WITH 4 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 2 COMPUTES FOR 1 k-values [4,5) # GROUP 3 WITH 4 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 3 COMPUTES FOR 1 k-values [5,6) # GROUP 4 WITH 4 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 4 COMPUTES FOR 1 k-values [6,7) # GROUP 5 WITH 4 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 5 COMPUTES FOR 1 k-values [7,8) # NUMBER OF PLAN WAVES TO CONSIDER: 8 # SETTINGS 6 KZGROUPS, EACH WITH GRID PROCESSES OF SIZE [2 x 2] # GROUP 0 WITH 4 PROCESSES HAS BEEN SUCCESSFULLY CREATED. # GROUP 0 COMPUTES FOR 2 k-values [0,2) # HAMILTONIAN SIZE: 4608 x 4608 # HAMILTONIAN TOTAL STORAGE: 324.00MB # CREATING CBLACS GRIDs OF SIZE (pzheev): [2 x 2] # READING CHECKPOINT FILE `tube/checkpoint.s2dpca` # CHECKPOINT READ: it=21 # CHECKPOINT READ: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # CHECKPOINT READ: dc_ec= 4.9348022 beta= 400 # CHECKPOINT READ: eF= 0.5 kF= 1 Effg= 232.86874 # CHECKPOINT READ: ------- NPART ------- SPINA: NEW= 388.11456 OLD= 388.11456 DIFF= 0 SPINB: NEW= 388.11456 OLD= 388.11456 DIFF= 0 # CHECKPOINT READ: ------- ENERGY ------- E_kin: NEW= 1.1428049 OLD= 1.1428049 DIFF= 0 E_pot: NEW= 0 OLD= 0 DIFF= 0 E_pair: NEW= -0.17036586 OLD= -0.17036586 DIFF= 0 E_curr: NEW= 5.4861207e-33 OLD= 5.4861207e-33 DIFF= 0 E_potext: NEW= 0.025815076 OLD= 0.025815076 DIFF= 0 E_pairext: NEW= 0 OLD= 0 DIFF= 0 E_velext: NEW= 0 OLD= 0 DIFF= 0 ------------------------------------------------------------------------ E_tot: NEW= 0.99825409 OLD= 0.99825409 DIFF= 0 # CREATING FFTW PLANS... # EXECUTING: process_params(md.params, 1.000000) # SETTING UP ELPA... # ELPA: ACTIVATING GPUs # ELPA: SETTINGS COMPLEX KERNEL: `ELPA_2STAGE_COMPLEX_DEFAULT` # ELPA: SETTINGS SOLVER: `ELPA_SOLVER_1STAGE` # SETTING UP OF ELPA DONE. # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 0 7... # DIAGONALIZATION 0 5... # DIAGONALIZATION 0 6... # DIAGONALIZATION 0 0... # DIAGONALIZATION 0 2... # DIAGONALIZATION 0 4... # DIAGONALIZATION 0 6 DONE [21 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 0 4 DONE [21 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 0 0 DONE [21 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 0 2 DONE [21 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 0 5 DONE [21 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 0 7 DONE [21 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 0 3... # DIAGONALIZATION 0 1... # DIAGONALIZATION 0 3 DONE [13 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 0 1 DONE [13 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: LINEAR MIXING # ANGULAR MOMENTUM: it=0 LZ_A: NEW= 0.25030727 OLD= 0 DIFF= 0.25030727 LZ_B: NEW= 0.25030727 OLD= 0 DIFF= 0.25030727 LZ_T: NEW= 0.25030727 OLD= 0 DIFF= 0.25030727 # CONVERGENCE REPORT PARTICLE NUMBER: it=0 SPINA: NEW= 387.36242 OLD= 388.11456 DIFF= -0.75214237 CONVSTATUS= PASS NPARTCONV= 0.39631627 SPINB: NEW= 387.36242 OLD= 388.11456 DIFF= -0.75214237 CONVSTATUS= PASS NPARTCONV= 0.39631627 # CONVERGENCE REPORT ENERGY: it=0 E_kin: NEW= 1.1426116 OLD= 1.1450239 DIFF= -0.0024122214 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.072008797 OLD= -0.17069666 DIFF= 0.098687862 CONVSTATUS= FAIL E_curr: NEW= 0.00087824519 OLD= 5.4967731e-33 DIFF= 0.00087824519 CONVSTATUS= FAIL E_potext: NEW= 0.025852285 OLD= 0.025865201 DIFF= -1.2915967e-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= 1.0973334 OLD= 1.0001924 DIFF= 0.09714097 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -118.88522064 # FUNCTION CHANGED BY: 23.30330684 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 28.66: rt_zheev= 26.68[93.11%] rt_dens= 0.46[ 1.60%] rt_pot= 0.01[ 0.04%] rt_me= 0.72[ 2.52%] rt_redistrib= 0.24[ 0.85%] rt_other= 0.54[ 1.89%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 1 6... # DIAGONALIZATION 1 5... # DIAGONALIZATION 1 7... # DIAGONALIZATION 1 4... # DIAGONALIZATION 1 0... # DIAGONALIZATION 1 2... # DIAGONALIZATION 1 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 1 4 DONE [10 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 1 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 1 5 DONE [11 sec] (EXTRACTED 1149 STATES) # DIAGONALIZATION 1 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 1 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 1 3... # DIAGONALIZATION 1 1... # DIAGONALIZATION 1 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 1 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19867 # Number of nwf in [-ecut,+ecut] to be extracted is: 19867 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: LINEAR MIXING # ANGULAR MOMENTUM: it=1 LZ_A: NEW= 0.36909541 OLD= 0.24982125 DIFF= 0.11927416 LZ_B: NEW= 0.36909541 OLD= 0.24982125 DIFF= 0.11927416 LZ_T: NEW= 0.36909541 OLD= 0.24982125 DIFF= 0.11927416 # CONVERGENCE REPORT PARTICLE NUMBER: it=1 SPINA: NEW= 384.11075 OLD= 387.36242 DIFF= -3.25167 CONVSTATUS= PASS NPARTCONV= 0.39718663 SPINB: NEW= 384.11075 OLD= 387.36242 DIFF= -3.25167 CONVSTATUS= PASS NPARTCONV= 0.39718663 # CONVERGENCE REPORT ENERGY: it=1 E_kin: NEW= 1.1013439 OLD= 1.1522844 DIFF= -0.050940439 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.07834417 OLD= -0.072618384 DIFF= -0.0057257859 CONVSTATUS= FAIL E_curr: NEW= 0.0015760551 OLD= 0.00088567993 DIFF= 0.00069037514 CONVSTATUS= FAIL E_potext: NEW= 0.026047296 OLD= 0.026071137 DIFF= -2.3840817e-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= 1.0506231 OLD= 1.1066228 DIFF= -0.05599969 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -128.65240230 # FUNCTION CHANGED BY: -9.76718166 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.16: rt_zheev= 16.47[90.71%] rt_dens= 0.50[ 2.76%] rt_pot= 0.01[ 0.06%] rt_me= 0.52[ 2.87%] rt_redistrib= 0.23[ 1.29%] rt_other= 0.42[ 2.31%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 2 5... # DIAGONALIZATION 2 7... # DIAGONALIZATION 2 6... # DIAGONALIZATION 2 4... # DIAGONALIZATION 2 2... # DIAGONALIZATION 2 0... # DIAGONALIZATION 2 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 2 5 DONE [11 sec] (EXTRACTED 1149 STATES) # DIAGONALIZATION 2 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 2 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 2 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 2 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 2 1... # DIAGONALIZATION 2 3... # DIAGONALIZATION 2 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 2 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19867 # Number of nwf in [-ecut,+ecut] to be extracted is: 19867 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: LINEAR MIXING # ANGULAR MOMENTUM: it=2 LZ_A: NEW= 0.42423435 OLD= 0.36597085 DIFF= 0.058263501 LZ_B: NEW= 0.42423435 OLD= 0.36597085 DIFF= 0.058263501 LZ_T: NEW= 0.42423435 OLD= 0.36597085 DIFF= 0.058263501 # CONVERGENCE REPORT PARTICLE NUMBER: it=2 SPINA: NEW= 382.34243 OLD= 384.11075 DIFF= -1.7683166 CONVSTATUS= PASS NPARTCONV= 0.39765995 SPINB: NEW= 382.34243 OLD= 384.11075 DIFF= -1.7683166 CONVSTATUS= PASS NPARTCONV= 0.39765995 # CONVERGENCE REPORT ENERGY: it=2 E_kin: NEW= 1.0781862 OLD= 1.1064376 DIFF= -0.028251387 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.081941446 OLD= -0.078706508 DIFF= -0.0032349379 CONVSTATUS= FAIL E_curr: NEW= 0.0019717374 OLD= 0.0015833443 DIFF= 0.00038839315 CONVSTATUS= FAIL E_potext: NEW= 0.02615379 OLD= 0.026167763 DIFF= -1.3973063e-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= 1.0243703 OLD= 1.0554822 DIFF= -0.031111904 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -134.08267007 # FUNCTION CHANGED BY: -5.43026776 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.14: rt_zheev= 16.33[90.00%] rt_dens= 0.46[ 2.52%] rt_pot= 0.01[ 0.06%] rt_me= 0.52[ 2.87%] rt_redistrib= 0.25[ 1.37%] rt_other= 0.58[ 3.18%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 3 6... # DIAGONALIZATION 3 5... # DIAGONALIZATION 3 2... # DIAGONALIZATION 3 4... # DIAGONALIZATION 3 7... # DIAGONALIZATION 3 0... # DIAGONALIZATION 3 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 3 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 3 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 3 5 DONE [11 sec] (EXTRACTED 1149 STATES) # DIAGONALIZATION 3 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 3 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 3 1... # DIAGONALIZATION 3 3... # DIAGONALIZATION 3 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 3 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19867 # Number of nwf in [-ecut,+ecut] to be extracted is: 19867 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: LINEAR MIXING # ANGULAR MOMENTUM: it=3 LZ_A: NEW= 0.45447918 OLD= 0.42227229 DIFF= 0.032206897 LZ_B: NEW= 0.45447918 OLD= 0.42227229 DIFF= 0.032206897 LZ_T: NEW= 0.45447918 OLD= 0.42227229 DIFF= 0.032206897 # CONVERGENCE REPORT PARTICLE NUMBER: it=3 SPINA: NEW= 381.49218 OLD= 382.34243 DIFF= -0.8502489 CONVSTATUS= PASS NPARTCONV= 0.39788753 SPINB: NEW= 381.49218 OLD= 382.34243 DIFF= -0.8502489 CONVSTATUS= PASS NPARTCONV= 0.39788753 # CONVERGENCE REPORT ENERGY: it=3 E_kin: NEW= 1.0670862 OLD= 1.0805892 DIFF= -0.01350298 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.085036589 OLD= -0.082124073 DIFF= -0.0029125156 CONVSTATUS= FAIL E_curr: NEW= 0.0022295115 OLD= 0.0019761319 DIFF= 0.00025337962 CONVSTATUS= FAIL E_potext: NEW= 0.026203452 OLD= 0.02621208 DIFF= -8.6288044e-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= 1.0104826 OLD= 1.0266533 DIFF= -0.016170745 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -136.96332425 # FUNCTION CHANGED BY: -2.88065418 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.04: rt_zheev= 16.34[90.57%] rt_dens= 0.46[ 2.53%] rt_pot= 0.01[ 0.06%] rt_me= 0.54[ 3.00%] rt_redistrib= 0.22[ 1.21%] rt_other= 0.48[ 2.64%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 4 6... # DIAGONALIZATION 4 5... # DIAGONALIZATION 4 7... # DIAGONALIZATION 4 4... # DIAGONALIZATION 4 2... # DIAGONALIZATION 4 0... # DIAGONALIZATION 4 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 4 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 4 5 DONE [11 sec] (EXTRACTED 1149 STATES) # DIAGONALIZATION 4 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 4 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 4 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 4 1... # DIAGONALIZATION 4 3... # DIAGONALIZATION 4 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 4 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19867 # Number of nwf in [-ecut,+ecut] to be extracted is: 19867 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: LINEAR MIXING # ANGULAR MOMENTUM: it=4 LZ_A: NEW= 0.47215396 OLD= 0.45346627 DIFF= 0.018687692 LZ_B: NEW= 0.47215396 OLD= 0.45346627 DIFF= 0.018687692 LZ_T: NEW= 0.47215396 OLD= 0.45346627 DIFF= 0.018687692 # CONVERGENCE REPORT PARTICLE NUMBER: it=4 SPINA: NEW= 381.14203 OLD= 381.49218 DIFF= -0.35015437 CONVSTATUS= PASS NPARTCONV= 0.39798126 SPINB: NEW= 381.14203 OLD= 381.49218 DIFF= -0.35015437 CONVSTATUS= PASS NPARTCONV= 0.39798126 # CONVERGENCE REPORT ENERGY: it=4 E_kin: NEW= 1.0627284 OLD= 1.0680666 DIFF= -0.0053381627 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.088057701 OLD= -0.085114712 DIFF= -0.0029429898 CONVSTATUS= FAIL E_curr: NEW= 0.0024107511 OLD= 0.0022315598 DIFF= 0.00017919134 CONVSTATUS= FAIL E_potext: NEW= 0.026222012 OLD= 0.026227525 DIFF= -5.5124403e-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= 1.0033035 OLD= 1.0114109 DIFF= -0.0081074736 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -138.47937626 # FUNCTION CHANGED BY: -1.51605201 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.70: rt_zheev= 15.85[89.56%] rt_dens= 0.50[ 2.84%] rt_pot= 0.01[ 0.06%] rt_me= 0.60[ 3.39%] rt_redistrib= 0.23[ 1.30%] rt_other= 0.50[ 2.85%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 5 6... # DIAGONALIZATION 5 5... # DIAGONALIZATION 5 2... # DIAGONALIZATION 5 4... # DIAGONALIZATION 5 7... # DIAGONALIZATION 5 0... # DIAGONALIZATION 5 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 5 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 5 4 DONE [10 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 5 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 5 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 5 5 DONE [10 sec] (EXTRACTED 1149 STATES) # DIAGONALIZATION 5 3... # DIAGONALIZATION 5 1... # DIAGONALIZATION 5 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 5 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19867 # Number of nwf in [-ecut,+ecut] to be extracted is: 19867 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ANGULAR MOMENTUM: it=5 LZ_A: NEW= 0.4827305 OLD= 0.47172019 DIFF= 0.011010306 LZ_B: NEW= 0.4827305 OLD= 0.47172019 DIFF= 0.011010306 LZ_T: NEW= 0.4827305 OLD= 0.47172019 DIFF= 0.011010306 # CONVERGENCE REPORT PARTICLE NUMBER: it=5 SPINA: NEW= 381.05571 OLD= 381.14203 DIFF= -0.086314192 CONVSTATUS= PASS NPARTCONV= 0.39800436 SPINB: NEW= 381.05571 OLD= 381.14203 DIFF= -0.086314192 CONVSTATUS= PASS NPARTCONV= 0.39800436 # CONVERGENCE REPORT ENERGY: it=5 E_kin: NEW= 1.0619669 OLD= 1.0629691 DIFF= -0.0010021948 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.091117834 OLD= -0.088077648 DIFF= -0.0030401862 CONVSTATUS= FAIL E_curr: NEW= 0.0025453835 OLD= 0.0024112972 DIFF= 0.00013408637 CONVSTATUS= FAIL E_potext: NEW= 0.026224384 OLD= 0.026227952 DIFF= -3.567529e-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= 0.99961885 OLD= 1.0035307 DIFF= -0.0039118622 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -139.29043881 # FUNCTION CHANGED BY: -0.81106255 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.05: rt_zheev= 16.02[88.76%] rt_dens= 0.47[ 2.58%] rt_pot= 0.01[ 0.06%] rt_me= 0.78[ 4.32%] rt_redistrib= 0.26[ 1.46%] rt_other= 0.51[ 2.82%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 6 7... # DIAGONALIZATION 6 6... # DIAGONALIZATION 6 5... # DIAGONALIZATION 6 4... # DIAGONALIZATION 6 2... # DIAGONALIZATION 6 0... # DIAGONALIZATION 6 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 6 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 6 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 6 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 6 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 6 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 6 1... # DIAGONALIZATION 6 3... # DIAGONALIZATION 6 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 6 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ANGULAR MOMENTUM: it=6 LZ_A: NEW= 0.48911049 OLD= 0.48262115 DIFF= 0.0064893376 LZ_B: NEW= 0.48911049 OLD= 0.48262115 DIFF= 0.0064893376 LZ_T: NEW= 0.48911049 OLD= 0.48262115 DIFF= 0.0064893376 # CONVERGENCE REPORT PARTICLE NUMBER: it=6 SPINA: NEW= 381.10834 OLD= 381.05571 DIFF= 0.05262873 CONVSTATUS= PASS NPARTCONV= 0.39799027 SPINB: NEW= 381.10834 OLD= 381.05571 DIFF= 0.05262873 CONVSTATUS= PASS NPARTCONV= 0.39799027 # CONVERGENCE REPORT ENERGY: it=6 E_kin: NEW= 1.0630991 OLD= 1.0618203 DIFF= 0.0012788762 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.094239584 OLD= -0.091105251 DIFF= -0.0031343331 CONVSTATUS= FAIL E_curr: NEW= 0.0026494122 OLD= 0.002545032 DIFF= 0.0001043802 CONVSTATUS= FAIL E_potext: NEW= 0.026218464 OLD= 0.026220763 DIFF= -2.2989814e-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= 0.99772744 OLD= 0.99948081 DIFF= -0.0017533757 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -139.74217749 # FUNCTION CHANGED BY: -0.45173868 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.39: rt_zheev= 16.57[90.08%] rt_dens= 0.58[ 3.18%] rt_pot= 0.01[ 0.06%] rt_me= 0.56[ 3.02%] rt_redistrib= 0.23[ 1.26%] rt_other= 0.44[ 2.40%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 7 6... # DIAGONALIZATION 7 7... # DIAGONALIZATION 7 5... # DIAGONALIZATION 7 4... # DIAGONALIZATION 7 2... # DIAGONALIZATION 7 0... # DIAGONALIZATION 7 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 7 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 7 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 7 5 DONE [10 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 7 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 7 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 7 1... # DIAGONALIZATION 7 3... # DIAGONALIZATION 7 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 7 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ANGULAR MOMENTUM: it=7 LZ_A: NEW= 0.49296728 OLD= 0.48917803 DIFF= 0.0037892471 LZ_B: NEW= 0.49296728 OLD= 0.48917803 DIFF= 0.0037892471 LZ_T: NEW= 0.49296728 OLD= 0.48917803 DIFF= 0.0037892471 # CONVERGENCE REPORT PARTICLE NUMBER: it=7 SPINA: NEW= 381.23539 OLD= 381.10834 DIFF= 0.12704332 CONVSTATUS= PASS NPARTCONV= 0.39795627 SPINB: NEW= 381.23539 OLD= 381.10834 DIFF= 0.12704332 CONVSTATUS= PASS NPARTCONV= 0.39795627 # CONVERGENCE REPORT ENERGY: it=7 E_kin: NEW= 1.0652328 OLD= 1.0627449 DIFF= 0.0024879564 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.097419141 OLD= -0.09420818 DIFF= -0.0032109616 CONVSTATUS= FAIL E_curr: NEW= 0.0027319621 OLD= 0.0026485294 DIFF= 8.343272e-05 CONVSTATUS= FAIL E_potext: NEW= 0.026208312 OLD= 0.026209727 DIFF= -1.4147999e-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= 0.99675396 OLD= 0.99739495 DIFF= -0.00064098731 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -140.01143385 # FUNCTION CHANGED BY: -0.26925636 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.68: rt_zheev= 15.75[89.08%] rt_dens= 0.57[ 3.21%] rt_pot= 0.01[ 0.06%] rt_me= 0.66[ 3.72%] rt_redistrib= 0.22[ 1.25%] rt_other= 0.47[ 2.68%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 8 5... # DIAGONALIZATION 8 7... # DIAGONALIZATION 8 2... # DIAGONALIZATION 8 4... # DIAGONALIZATION 8 6... # DIAGONALIZATION 8 0... # DIAGONALIZATION 8 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 8 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 8 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 8 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 8 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 8 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 8 1... # DIAGONALIZATION 8 3... # DIAGONALIZATION 8 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 8 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ANGULAR MOMENTUM: it=8 LZ_A: NEW= 0.49530781 OLD= 0.49313156 DIFF= 0.0021762571 LZ_B: NEW= 0.49530781 OLD= 0.49313156 DIFF= 0.0021762571 LZ_T: NEW= 0.49530781 OLD= 0.49313156 DIFF= 0.0021762571 # CONVERGENCE REPORT PARTICLE NUMBER: it=8 SPINA: NEW= 381.40357 OLD= 381.23539 DIFF= 0.16818604 CONVSTATUS= PASS NPARTCONV= 0.39791125 SPINB: NEW= 381.40357 OLD= 381.23539 DIFF= 0.16818604 CONVSTATUS= PASS NPARTCONV= 0.39791125 # CONVERGENCE REPORT ENERGY: it=8 E_kin: NEW= 1.0679014 OLD= 1.0647631 DIFF= 0.0031382927 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.10063982 OLD= -0.097376183 DIFF= -0.0032636411 CONVSTATUS= FAIL E_curr: NEW= 0.0027990392 OLD= 0.0027307574 DIFF= 6.8281866e-05 CONVSTATUS= FAIL E_potext: NEW= 0.026196036 OLD= 0.026196755 DIFF= -7.1906609e-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= 0.99625664 OLD= 0.99631443 DIFF= -5.7785648e-05 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -140.18700923 # FUNCTION CHANGED BY: -0.17557538 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.76: rt_zheev= 16.04[90.29%] rt_dens= 0.46[ 2.60%] rt_pot= 0.01[ 0.06%] rt_me= 0.52[ 2.93%] rt_redistrib= 0.23[ 1.30%] rt_other= 0.50[ 2.81%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 9 5... # DIAGONALIZATION 9 7... # DIAGONALIZATION 9 4... # DIAGONALIZATION 9 6... # DIAGONALIZATION 9 2... # DIAGONALIZATION 9 0... # DIAGONALIZATION 9 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 9 4 DONE [10 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 9 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 9 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 9 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 9 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 9 3... # DIAGONALIZATION 9 1... # DIAGONALIZATION 9 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 9 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ANGULAR MOMENTUM: it=9 LZ_A: NEW= 0.49674632 OLD= 0.49552623 DIFF= 0.0012200942 LZ_B: NEW= 0.49674632 OLD= 0.49552623 DIFF= 0.0012200942 LZ_T: NEW= 0.49674632 OLD= 0.49552623 DIFF= 0.0012200942 # CONVERGENCE REPORT PARTICLE NUMBER: it=9 SPINA: NEW= 381.59538 OLD= 381.40357 DIFF= 0.19180719 CONVSTATUS= PASS NPARTCONV= 0.39785991 SPINB: NEW= 381.59538 OLD= 381.40357 DIFF= 0.19180719 CONVSTATUS= PASS NPARTCONV= 0.39785991 # CONVERGENCE REPORT ENERGY: it=9 E_kin: NEW= 1.0708565 OLD= 1.0673646 DIFF= 0.0034918573 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.10388114 OLD= -0.10058924 DIFF= -0.0032919073 CONVSTATUS= FAIL E_curr: NEW= 0.0028550942 OLD= 0.0027976323 DIFF= 5.7461839e-05 CONVSTATUS= FAIL E_potext: NEW= 0.026182762 OLD= 0.026182869 DIFF= -1.0719142e-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= 0.99601318 OLD= 0.99575588 DIFF= 0.00025730463 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -140.31325079 # FUNCTION CHANGED BY: -0.12624156 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.82: rt_zheev= 15.94[89.43%] rt_dens= 0.52[ 2.91%] rt_pot= 0.02[ 0.12%] rt_me= 0.65[ 3.67%] rt_redistrib= 0.22[ 1.22%] rt_other= 0.47[ 2.64%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 10 5... # DIAGONALIZATION 10 6... # DIAGONALIZATION 10 7... # DIAGONALIZATION 10 4... # DIAGONALIZATION 10 2... # DIAGONALIZATION 10 0... # DIAGONALIZATION 10 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 10 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 10 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 10 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 10 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 10 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 10 3... # DIAGONALIZATION 10 1... # DIAGONALIZATION 10 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 10 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN IS STORING DATA, MIXING=LINEAR # ANGULAR MOMENTUM: it=10 LZ_A: NEW= 0.49765442 OLD= 0.49699601 DIFF= 0.00065841275 LZ_B: NEW= 0.49765442 OLD= 0.49699601 DIFF= 0.00065841275 LZ_T: NEW= 0.49765442 OLD= 0.49699601 DIFF= 0.00065841275 # CONVERGENCE REPORT PARTICLE NUMBER: it=10 SPINA: NEW= 381.80113 OLD= 381.59538 DIFF= 0.20575416 CONVSTATUS= PASS NPARTCONV= 0.39780484 SPINB: NEW= 381.80113 OLD= 381.59538 DIFF= 0.20575416 CONVSTATUS= PASS NPARTCONV= 0.39780484 # CONVERGENCE REPORT ENERGY: it=10 E_kin: NEW= 1.0739604 OLD= 1.0702794 DIFF= 0.0036810186 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.10712155 OLD= -0.10382516 DIFF= -0.0032963874 CONVSTATUS= FAIL E_curr: NEW= 0.0029034644 OLD= 0.0028535555 DIFF= 4.9908867e-05 CONVSTATUS= FAIL E_potext: NEW= 0.026169113 OLD= 0.026168652 DIFF= 4.6163434e-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= 0.99591143 OLD= 0.99547643 DIFF= 0.00043500162 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -140.41221678 # FUNCTION CHANGED BY: -0.09896599 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.98: rt_zheev= 16.18[89.96%] rt_dens= 0.55[ 3.04%] rt_pot= 0.01[ 0.06%] rt_me= 0.60[ 3.34%] rt_redistrib= 0.23[ 1.27%] rt_other= 0.42[ 2.34%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 11 5... # DIAGONALIZATION 11 6... # DIAGONALIZATION 11 7... # DIAGONALIZATION 11 2... # DIAGONALIZATION 11 4... # DIAGONALIZATION 11 0... # DIAGONALIZATION 11 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 11 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 11 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 11 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 11 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 11 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 11 1... # DIAGONALIZATION 11 3... # DIAGONALIZATION 11 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 11 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=11 LZ_A: NEW= 0.50321974 OLD= 0.49792261 DIFF= 0.00529713 LZ_B: NEW= 0.50321974 OLD= 0.49792261 DIFF= 0.00529713 LZ_T: NEW= 0.50321974 OLD= 0.49792261 DIFF= 0.00529713 # CONVERGENCE REPORT PARTICLE NUMBER: it=11 SPINA: NEW= 385.88382 OLD= 381.80113 DIFF= 4.0826833 CONVSTATUS= PASS NPARTCONV= 0.39671204 SPINB: NEW= 385.88382 OLD= 381.80113 DIFF= 4.0826833 CONVSTATUS= PASS NPARTCONV= 0.39671204 # CONVERGENCE REPORT ENERGY: it=11 E_kin: NEW= 1.1299646 OLD= 1.0625978 DIFF= 0.067366812 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16142531 OLD= -0.1059882 DIFF= -0.055437111 CONVSTATUS= FAIL E_curr: NEW= 0.0033839963 OLD= 0.0028727455 DIFF= 0.0005112508 CONVSTATUS= FAIL E_potext: NEW= 0.02595184 OLD= 0.025892242 DIFF= 5.9598138e-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= 0.99787515 OLD= 0.9853746 DIFF= 0.01250055 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.45901407 # FUNCTION CHANGED BY: -1.04679729 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.98: rt_zheev= 15.99[88.94%] rt_dens= 0.61[ 3.40%] rt_pot= 0.01[ 0.06%] rt_me= 0.60[ 3.32%] rt_redistrib= 0.23[ 1.26%] rt_other= 0.54[ 3.02%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 12 6... # DIAGONALIZATION 12 7... # DIAGONALIZATION 12 4... # DIAGONALIZATION 12 0... # DIAGONALIZATION 12 5... # DIAGONALIZATION 12 2... # DIAGONALIZATION 12 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 12 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 12 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 12 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 12 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 12 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 12 3... # DIAGONALIZATION 12 1... # DIAGONALIZATION 12 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 12 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=12 LZ_A: NEW= 0.49924101 OLD= 0.49845346 DIFF= 0.00078755188 LZ_B: NEW= 0.49924101 OLD= 0.49845346 DIFF= 0.00078755188 LZ_T: NEW= 0.49924101 OLD= 0.49845346 DIFF= 0.00078755188 # CONVERGENCE REPORT PARTICLE NUMBER: it=12 SPINA: NEW= 385.97305 OLD= 385.88382 DIFF= 0.089234633 CONVSTATUS= PASS NPARTCONV= 0.39668816 SPINB: NEW= 385.97305 OLD= 385.88382 DIFF= 0.089234633 CONVSTATUS= PASS NPARTCONV= 0.39668816 # CONVERGENCE REPORT ENERGY: it=12 E_kin: NEW= 1.1315527 OLD= 1.1297034 DIFF= 0.0018492756 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16398081 OLD= -0.16138799 DIFF= -0.0025928223 CONVSTATUS= FAIL E_curr: NEW= 0.0034114166 OLD= 0.0033832139 DIFF= 2.8202634e-05 CONVSTATUS= FAIL E_potext: NEW= 0.025941565 OLD= 0.02594584 DIFF= -4.2754577e-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= 0.99692483 OLD= 0.99764445 DIFF= -0.00071961952 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.71180536 # FUNCTION CHANGED BY: -0.25279129 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.30: rt_zheev= 16.50[90.16%] rt_dens= 0.50[ 2.72%] rt_pot= 0.01[ 0.06%] rt_me= 0.56[ 3.06%] rt_redistrib= 0.26[ 1.41%] rt_other= 0.47[ 2.59%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 13 6... # DIAGONALIZATION 13 7... # DIAGONALIZATION 13 4... # DIAGONALIZATION 13 5... # DIAGONALIZATION 13 2... # DIAGONALIZATION 13 0... # DIAGONALIZATION 13 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 13 5 DONE [10 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 13 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 13 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 13 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 13 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 13 3... # DIAGONALIZATION 13 1... # DIAGONALIZATION 13 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 13 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=13 LZ_A: NEW= 0.49921613 OLD= 0.49928279 DIFF= -6.6662687e-05 LZ_B: NEW= 0.49921613 OLD= 0.49928279 DIFF= -6.6662687e-05 LZ_T: NEW= 0.49921613 OLD= 0.49928279 DIFF= -6.6662687e-05 # CONVERGENCE REPORT PARTICLE NUMBER: it=13 SPINA: NEW= 385.83119 OLD= 385.97305 DIFF= -0.14185979 CONVSTATUS= PASS NPARTCONV= 0.39672613 SPINB: NEW= 385.83119 OLD= 385.97305 DIFF= -0.14185979 CONVSTATUS= PASS NPARTCONV= 0.39672613 # CONVERGENCE REPORT ENERGY: it=13 E_kin: NEW= 1.129468 OLD= 1.1319687 DIFF= -0.0025007424 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.15787636 OLD= -0.1640411 DIFF= 0.0061647422 CONVSTATUS= FAIL E_curr: NEW= 0.0033382462 OLD= 0.0034126709 DIFF= -7.4424677e-05 CONVSTATUS= FAIL E_potext: NEW= 0.025947558 OLD= 0.025951103 DIFF= -3.5441609e-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= 1.0008774 OLD= 0.99729137 DIFF= 0.0035860309 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -140.74470520 # FUNCTION CHANGED BY: 0.96710015 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.23: rt_zheev= 16.43[90.09%] rt_dens= 0.53[ 2.91%] rt_pot= 0.01[ 0.06%] rt_me= 0.53[ 2.92%] rt_redistrib= 0.25[ 1.39%] rt_other= 0.48[ 2.62%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 14 5... # DIAGONALIZATION 14 6... # DIAGONALIZATION 14 4... # DIAGONALIZATION 14 7... # DIAGONALIZATION 14 2... # DIAGONALIZATION 14 0... # DIAGONALIZATION 14 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 14 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 14 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 14 4 DONE [10 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 14 5 DONE [10 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 14 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 14 3... # DIAGONALIZATION 14 1... # DIAGONALIZATION 14 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 14 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=14 LZ_A: NEW= 0.50105488 OLD= 0.499668 DIFF= 0.0013868802 LZ_B: NEW= 0.50105488 OLD= 0.499668 DIFF= 0.0013868802 LZ_T: NEW= 0.50105488 OLD= 0.499668 DIFF= 0.0013868802 # CONVERGENCE REPORT PARTICLE NUMBER: it=14 SPINA: NEW= 386.04846 OLD= 385.83119 DIFF= 0.21726575 CONVSTATUS= PASS NPARTCONV= 0.39666797 SPINB: NEW= 386.04846 OLD= 385.83119 DIFF= 0.21726575 CONVSTATUS= PASS NPARTCONV= 0.39666797 # CONVERGENCE REPORT ENERGY: it=14 E_kin: NEW= 1.1327252 OLD= 1.1288323 DIFF= 0.0038929365 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16307598 OLD= -0.15778751 DIFF= -0.0052884752 CONVSTATUS= FAIL E_curr: NEW= 0.0034011935 OLD= 0.0033363674 DIFF= 6.4826038e-05 CONVSTATUS= FAIL E_potext: NEW= 0.025931161 OLD= 0.025932955 DIFF= -1.7940966e-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= 0.99898161 OLD= 1.0003141 DIFF= -0.0013325067 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.26308119 # FUNCTION CHANGED BY: -0.51837599 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.81: rt_zheev= 16.03[90.01%] rt_dens= 0.46[ 2.56%] rt_pot= 0.01[ 0.06%] rt_me= 0.57[ 3.22%] rt_redistrib= 0.22[ 1.22%] rt_other= 0.52[ 2.93%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 15 6... # DIAGONALIZATION 15 5... # DIAGONALIZATION 15 7... # DIAGONALIZATION 15 4... # DIAGONALIZATION 15 2... # DIAGONALIZATION 15 0... # DIAGONALIZATION 15 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 15 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 15 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 15 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 15 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 15 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 15 1... # DIAGONALIZATION 15 3... # DIAGONALIZATION 15 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 15 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=15 LZ_A: NEW= 0.50044981 OLD= 0.50068376 DIFF= -0.00023395226 LZ_B: NEW= 0.50044981 OLD= 0.50068376 DIFF= -0.00023395226 LZ_T: NEW= 0.50044981 OLD= 0.50068376 DIFF= -0.00023395226 # CONVERGENCE REPORT PARTICLE NUMBER: it=15 SPINA: NEW= 385.99721 OLD= 386.04846 DIFF= -0.051244632 CONVSTATUS= PASS NPARTCONV= 0.39668169 SPINB: NEW= 385.99721 OLD= 386.04846 DIFF= -0.051244632 CONVSTATUS= PASS NPARTCONV= 0.39668169 # CONVERGENCE REPORT ENERGY: it=15 E_kin: NEW= 1.1318801 OLD= 1.1328756 DIFF= -0.00099550672 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16063186 OLD= -0.16309763 DIFF= 0.0024657713 CONVSTATUS= FAIL E_curr: NEW= 0.0033734468 OLD= 0.003401645 DIFF= -2.8198174e-05 CONVSTATUS= FAIL E_potext: NEW= 0.0259331 OLD= 0.025934604 DIFF= -1.5035778e-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= 1.0005548 OLD= 0.99911423 DIFF= 0.0014405628 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -140.87998233 # FUNCTION CHANGED BY: 0.38309887 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.55: rt_zheev= 16.77[90.38%] rt_dens= 0.56[ 3.02%] rt_pot= 0.01[ 0.06%] rt_me= 0.54[ 2.89%] rt_redistrib= 0.22[ 1.20%] rt_other= 0.46[ 2.45%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 16 7... # DIAGONALIZATION 16 5... # DIAGONALIZATION 16 6... # DIAGONALIZATION 16 4... # DIAGONALIZATION 16 2... # DIAGONALIZATION 16 0... # DIAGONALIZATION 16 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 16 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 16 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 16 4 DONE [10 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 16 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 16 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 16 1... # DIAGONALIZATION 16 3... # DIAGONALIZATION 16 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 16 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=16 LZ_A: NEW= 0.50068927 OLD= 0.50060706 DIFF= 8.2210944e-05 LZ_B: NEW= 0.50068927 OLD= 0.50060706 DIFF= 8.2210944e-05 LZ_T: NEW= 0.50068927 OLD= 0.50060706 DIFF= 8.2210944e-05 # CONVERGENCE REPORT PARTICLE NUMBER: it=16 SPINA: NEW= 386.04482 OLD= 385.99721 DIFF= 0.047605414 CONVSTATUS= PASS NPARTCONV= 0.39666895 SPINB: NEW= 386.04482 OLD= 385.99721 DIFF= 0.047605414 CONVSTATUS= PASS NPARTCONV= 0.39666895 # CONVERGENCE REPORT ENERGY: it=16 E_kin: NEW= 1.1326571 OLD= 1.1317405 DIFF= 0.00091660546 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16220916 OLD= -0.16061205 DIFF= -0.0015971099 CONVSTATUS= FAIL E_curr: NEW= 0.0033915443 OLD= 0.0033730308 DIFF= 1.8513423e-05 CONVSTATUS= FAIL E_potext: NEW= 0.02592816 OLD= 0.025929902 DIFF= -1.7419012e-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= 0.99976768 OLD= 1.0004314 DIFF= -0.00066373293 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.07967468 # FUNCTION CHANGED BY: -0.19969236 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.91: rt_zheev= 16.11[89.96%] rt_dens= 0.45[ 2.54%] rt_pot= 0.01[ 0.06%] rt_me= 0.61[ 3.42%] rt_redistrib= 0.22[ 1.23%] rt_other= 0.50[ 2.80%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 17 6... # DIAGONALIZATION 17 5... # DIAGONALIZATION 17 7... # DIAGONALIZATION 17 4... # DIAGONALIZATION 17 2... # DIAGONALIZATION 17 0... # DIAGONALIZATION 17 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 17 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 17 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 17 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 17 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 17 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 17 1... # DIAGONALIZATION 17 3... # DIAGONALIZATION 17 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 17 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=17 LZ_A: NEW= 0.50051882 OLD= 0.50056476 DIFF= -4.5937901e-05 LZ_B: NEW= 0.50051882 OLD= 0.50056476 DIFF= -4.5937901e-05 LZ_T: NEW= 0.50051882 OLD= 0.50056476 DIFF= -4.5937901e-05 # CONVERGENCE REPORT PARTICLE NUMBER: it=17 SPINA: NEW= 386.04806 OLD= 386.04482 DIFF= 0.0032440692 CONVSTATUS= PASS NPARTCONV= 0.39666808 SPINB: NEW= 386.04806 OLD= 386.04482 DIFF= 0.0032440692 CONVSTATUS= PASS NPARTCONV= 0.39666808 # CONVERGENCE REPORT ENERGY: it=17 E_kin: NEW= 1.1327029 OLD= 1.1326476 DIFF= 5.5272576e-05 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16214306 OLD= -0.1622078 DIFF= 6.4733481e-05 CONVSTATUS= FAIL E_curr: NEW= 0.0033925382 OLD= 0.0033915158 DIFF= 1.022433e-06 CONVSTATUS= FAIL E_potext: NEW= 0.02592748 OLD= 0.025927942 DIFF= -4.6215268e-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= 0.99987984 OLD= 0.99975928 DIFF= 0.00012056634 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.05487957 # FUNCTION CHANGED BY: 0.02479511 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.38: rt_zheev= 16.55[90.04%] rt_dens= 0.49[ 2.64%] rt_pot= 0.01[ 0.07%] rt_me= 0.57[ 3.08%] rt_redistrib= 0.23[ 1.24%] rt_other= 0.54[ 2.93%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 18 5... # DIAGONALIZATION 18 6... # DIAGONALIZATION 18 7... # DIAGONALIZATION 18 4... # DIAGONALIZATION 18 2... # DIAGONALIZATION 18 0... # DIAGONALIZATION 18 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 18 5 DONE [10 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 18 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 18 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 18 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 18 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 18 3... # DIAGONALIZATION 18 1... # DIAGONALIZATION 18 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 18 3 DONE [9 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=18 LZ_A: NEW= 0.50056546 OLD= 0.50052785 DIFF= 3.7607748e-05 LZ_B: NEW= 0.50056546 OLD= 0.50052785 DIFF= 3.7607748e-05 LZ_T: NEW= 0.50056546 OLD= 0.50052785 DIFF= 3.7607748e-05 # CONVERGENCE REPORT PARTICLE NUMBER: it=18 SPINA: NEW= 386.05062 OLD= 386.04806 DIFF= 0.0025552094 CONVSTATUS= PASS NPARTCONV= 0.39666739 SPINB: NEW= 386.05062 OLD= 386.04806 DIFF= 0.0025552094 CONVSTATUS= PASS NPARTCONV= 0.39666739 # CONVERGENCE REPORT ENERGY: it=18 E_kin: NEW= 1.1327363 OLD= 1.1326954 DIFF= 4.0895637e-05 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16215995 OLD= -0.16214199 DIFF= -1.7955344e-05 CONVSTATUS= FAIL E_curr: NEW= 0.0033940127 OLD= 0.0033925157 DIFF= 1.496924e-06 CONVSTATUS= FAIL E_potext: NEW= 0.025927335 OLD= 0.025927309 DIFF= 2.6089173e-08 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= 0.99989769 OLD= 0.99987323 DIFF= 2.4463307e-05 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.05167970 # FUNCTION CHANGED BY: 0.00319988 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.72: rt_zheev= 16.72[89.34%] rt_dens= 0.59[ 3.14%] rt_pot= 0.01[ 0.07%] rt_me= 0.55[ 2.92%] rt_redistrib= 0.25[ 1.36%] rt_other= 0.59[ 3.17%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 19 5... # DIAGONALIZATION 19 6... # DIAGONALIZATION 19 7... # DIAGONALIZATION 19 4... # DIAGONALIZATION 19 2... # DIAGONALIZATION 19 0... # DIAGONALIZATION 19 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 19 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 19 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 19 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 19 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 19 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 19 1... # DIAGONALIZATION 19 3... # DIAGONALIZATION 19 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 19 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=19 LZ_A: NEW= 0.50057786 OLD= 0.5005642 DIFF= 1.3654065e-05 LZ_B: NEW= 0.50057786 OLD= 0.5005642 DIFF= 1.3654065e-05 LZ_T: NEW= 0.50057786 OLD= 0.5005642 DIFF= 1.3654065e-05 # CONVERGENCE REPORT PARTICLE NUMBER: it=19 SPINA: NEW= 386.05072 OLD= 386.05062 DIFF= 0.00010003998 CONVSTATUS= PASS NPARTCONV= 0.39666737 SPINB: NEW= 386.05072 OLD= 386.05062 DIFF= 0.00010003998 CONVSTATUS= PASS NPARTCONV= 0.39666737 # CONVERGENCE REPORT ENERGY: it=19 E_kin: NEW= 1.1327375 OLD= 1.132736 DIFF= 1.4940315e-06 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16216435 OLD= -0.1621599 DIFF= -4.4450039e-06 CONVSTATUS= FAIL E_curr: NEW= 0.0033943753 OLD= 0.0033940118 DIFF= 3.6352239e-07 CONVSTATUS= PASS E_potext: NEW= 0.025927358 OLD= 0.025927328 DIFF= 2.985253e-08 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= 0.99989487 OLD= 0.99989743 DIFF= -2.5575975e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.05236868 # FUNCTION CHANGED BY: -0.00068899 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.17: rt_zheev= 16.25[89.44%] rt_dens= 0.59[ 3.22%] rt_pot= 0.01[ 0.06%] rt_me= 0.58[ 3.21%] rt_redistrib= 0.24[ 1.32%] rt_other= 0.50[ 2.76%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 20 7... # DIAGONALIZATION 20 5... # DIAGONALIZATION 20 4... # DIAGONALIZATION 20 6... # DIAGONALIZATION 20 0... # DIAGONALIZATION 20 2... # DIAGONALIZATION 20 0 DONE [10 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 20 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 20 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 20 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 20 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 20 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 20 1... # DIAGONALIZATION 20 3... # DIAGONALIZATION 20 1 DONE [8 sec] (EXTRACTED 1807 STATES) # DIAGONALIZATION 20 3 DONE [8 sec] (EXTRACTED 1603 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=20 LZ_A: NEW= 0.50057432 OLD= 0.50057779 DIFF= -3.4633062e-06 LZ_B: NEW= 0.50057432 OLD= 0.50057779 DIFF= -3.4633062e-06 LZ_T: NEW= 0.50057432 OLD= 0.50057779 DIFF= -3.4633062e-06 # CONVERGENCE REPORT PARTICLE NUMBER: it=20 SPINA: NEW= 386.05045 OLD= 386.05072 DIFF= -0.00027205569 CONVSTATUS= PASS NPARTCONV= 0.39666744 SPINB: NEW= 386.05045 OLD= 386.05072 DIFF= -0.00027205569 CONVSTATUS= PASS NPARTCONV= 0.39666744 # CONVERGENCE REPORT ENERGY: it=20 E_kin: NEW= 1.1327339 OLD= 1.1327383 DIFF= -4.4330529e-06 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16216208 OLD= -0.16216446 DIFF= 2.387695e-06 CONVSTATUS= FAIL E_curr: NEW= 0.0033943809 OLD= 0.0033943777 DIFF= 3.1890038e-09 CONVSTATUS= PASS E_potext: NEW= 0.025927422 OLD= 0.025927376 DIFF= 4.6202076e-08 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= 0.99989358 OLD= 0.99989558 DIFF= -1.9959668e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.05256839 # FUNCTION CHANGED BY: -0.00019971 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.08: rt_zheev= 16.24[89.85%] rt_dens= 0.58[ 3.21%] rt_pot= 0.01[ 0.06%] rt_me= 0.54[ 3.00%] rt_redistrib= 0.25[ 1.36%] rt_other= 0.46[ 2.53%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 21 5... # DIAGONALIZATION 21 6... # DIAGONALIZATION 21 2... # DIAGONALIZATION 21 7... # DIAGONALIZATION 21 4... # DIAGONALIZATION 21 0... # DIAGONALIZATION 21 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 21 7 DONE [10 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 21 2 DONE [11 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 21 5 DONE [11 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 21 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 21 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 21 3... # DIAGONALIZATION 21 1... # DIAGONALIZATION 21 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 21 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=21 LZ_A: NEW= 0.50057348 OLD= 0.50057496 DIFF= -1.4866183e-06 LZ_B: NEW= 0.50057348 OLD= 0.50057496 DIFF= -1.4866183e-06 LZ_T: NEW= 0.50057348 OLD= 0.50057496 DIFF= -1.4866183e-06 # CONVERGENCE REPORT PARTICLE NUMBER: it=21 SPINA: NEW= 386.05086 OLD= 386.05045 DIFF= 0.00041872087 CONVSTATUS= PASS NPARTCONV= 0.39666733 SPINB: NEW= 386.05086 OLD= 386.05045 DIFF= 0.00041872087 CONVSTATUS= PASS NPARTCONV= 0.39666733 # CONVERGENCE REPORT ENERGY: it=21 E_kin: NEW= 1.1327392 OLD= 1.1327326 DIFF= 6.5989369e-06 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16216673 OLD= -0.1621619 DIFF= -4.8324442e-06 CONVSTATUS= FAIL E_curr: NEW= 0.0033943941 OLD= 0.0033943772 DIFF= 1.691281e-08 CONVSTATUS= PASS E_potext: NEW= 0.02592743 OLD= 0.025927394 DIFF= 3.586495e-08 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= 0.99989432 OLD= 0.9998925 DIFF= 1.8192704e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.05255119 # FUNCTION CHANGED BY: 0.00001720 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 18.28: rt_zheev= 16.43[89.90%] rt_dens= 0.46[ 2.53%] rt_pot= 0.01[ 0.07%] rt_me= 0.57[ 3.12%] rt_redistrib= 0.24[ 1.29%] rt_other= 0.56[ 3.08%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 22 7... # DIAGONALIZATION 22 5... # DIAGONALIZATION 22 6... # DIAGONALIZATION 22 4... # DIAGONALIZATION 22 2... # DIAGONALIZATION 22 0... # DIAGONALIZATION 22 4 DONE [10 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 22 5 DONE [10 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 22 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 22 6 DONE [11 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 22 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 22 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 22 3... # DIAGONALIZATION 22 1... # DIAGONALIZATION 22 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 22 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=22 LZ_A: NEW= 0.50057483 OLD= 0.50057339 DIFF= 1.4436294e-06 LZ_B: NEW= 0.50057483 OLD= 0.50057339 DIFF= 1.4436294e-06 LZ_T: NEW= 0.50057483 OLD= 0.50057339 DIFF= 1.4436294e-06 # CONVERGENCE REPORT PARTICLE NUMBER: it=22 SPINA: NEW= 386.05192 OLD= 386.05086 DIFF= 0.0010576333 CONVSTATUS= PASS NPARTCONV= 0.39666704 SPINB: NEW= 386.05192 OLD= 386.05086 DIFF= 0.0010576333 CONVSTATUS= PASS NPARTCONV= 0.39666704 # CONVERGENCE REPORT ENERGY: it=22 E_kin: NEW= 1.132753 OLD= 1.1327361 DIFF= 1.6828245e-05 CONVSTATUS= FAIL E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.1621781 OLD= -0.16216629 DIFF= -1.1814679e-05 CONVSTATUS= FAIL E_curr: NEW= 0.0033944442 OLD= 0.0033943848 DIFF= 5.9335347e-08 CONVSTATUS= PASS E_potext: NEW= 0.025927393 OLD= 0.025927359 DIFF= 3.3800141e-08 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= 0.99989668 OLD= 0.99989158 DIFF= 5.1067015e-06 CONVSTATUS= FAIL # MINIMIZATION FUNCTION: -141.05238926 # FUNCTION CHANGED BY: 0.00016193 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.96: rt_zheev= 16.13[89.82%] rt_dens= 0.45[ 2.53%] rt_pot= 0.01[ 0.06%] rt_me= 0.63[ 3.51%] rt_redistrib= 0.21[ 1.18%] rt_other= 0.52[ 2.91%] # EXECUTING: process_params(md.params, 1.000000) # DIAGONALIZATION 23 6... # DIAGONALIZATION 23 5... # DIAGONALIZATION 23 4... # DIAGONALIZATION 23 2... # DIAGONALIZATION 23 7... # DIAGONALIZATION 23 0... # DIAGONALIZATION 23 2 DONE [10 sec] (EXTRACTED 1734 STATES) # DIAGONALIZATION 23 6 DONE [10 sec] (EXTRACTED 841 STATES) # DIAGONALIZATION 23 5 DONE [10 sec] (EXTRACTED 1148 STATES) # DIAGONALIZATION 23 4 DONE [11 sec] (EXTRACTED 1409 STATES) # DIAGONALIZATION 23 0 DONE [11 sec] (EXTRACTED 1829 STATES) # DIAGONALIZATION 23 7 DONE [11 sec] (EXTRACTED 476 STATES) # DIAGONALIZATION 23 3... # DIAGONALIZATION 23 1... # DIAGONALIZATION 23 3 DONE [8 sec] (EXTRACTED 1603 STATES) # DIAGONALIZATION 23 1 DONE [8 sec] (EXTRACTED 1807 STATES) # NWF=19865 # Number of nwf in [-ecut,+ecut] to be extracted is: 19865 (26.9% of total number of states) # MUCHANGE FROM: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE TO : dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # MUCHANGE BROY: dc_mu_a= 0.48265478 dc_mu_b= 0.48265478 # DENSITIES MIX: BROYDEN MIXING # ANGULAR MOMENTUM: it=23 LZ_A: NEW= 0.5005738 OLD= 0.50057382 DIFF= -1.9728431e-08 LZ_B: NEW= 0.5005738 OLD= 0.50057382 DIFF= -1.9728431e-08 LZ_T: NEW= 0.5005738 OLD= 0.50057382 DIFF= -1.9728431e-08 # CONVERGENCE REPORT PARTICLE NUMBER: it=23 SPINA: NEW= 386.05191 OLD= 386.05192 DIFF= -1.0798638e-05 CONVSTATUS= PASS NPARTCONV= 0.39666705 SPINB: NEW= 386.05191 OLD= 386.05192 DIFF= -1.0798638e-05 CONVSTATUS= PASS NPARTCONV= 0.39666705 # CONVERGENCE REPORT ENERGY: it=23 E_kin: NEW= 1.1327528 OLD= 1.132753 DIFF= -1.7403058e-07 CONVSTATUS= PASS E_pot: NEW= 0 OLD= 0 DIFF= 0 CONVSTATUS= PASS E_pair: NEW= -0.16217803 OLD= -0.16217811 DIFF= 8.0595841e-08 CONVSTATUS= PASS E_curr: NEW= 0.0033944413 OLD= 0.0033944443 DIFF= -2.9756554e-09 CONVSTATUS= PASS E_potext: NEW= 0.025927391 OLD= 0.025927394 DIFF= -2.6218109e-09 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= 0.99989661 OLD= 0.99989671 DIFF= -9.9032207e-08 CONVSTATUS= PASS # MINIMIZATION FUNCTION: -141.05240178 # FUNCTION CHANGED BY: -0.00001251 # CREATING CHECKPOINT FILE `vortex/checkpoint.s2dpca` # TIMING rt_tot= 17.83: rt_zheev= 16.03[89.91%] rt_dens= 0.46[ 2.57%] rt_pot= 0.01[ 0.06%] rt_me= 0.55[ 3.08%] rt_redistrib= 0.22[ 1.25%] rt_other= 0.56[ 3.14%] # ALGORITHM CONVERGED!