# Input file for OCA impurity solver. l= 2 J= 0.7 Eimp= [-60.244372953999999, -60.539011874000003] c= 0.0 mOCA= 0.001 Eoca= 1.0 2 4 6 57 0 # Number of baths it's degeneracy and number of local valence and local core states # N0 N1 Mtot deg Eatom #b #b #f #f 0 2.00 5.00 7 2 -7.8205 2 1 0 0 2.00 x 43 2.00 x 35 2.00 x 34 # S 1.5 Eatom= -431.004318638 1 2.00 5.00 7 4 -7.8205 2 1 0 0 4.00 x 36 4.00 x 41 4.00 x 34 # S 1.5 Eatom= -431.004318626 2 3.00 4.00 7 2 -8.0615 1 1 0 0 2.00 x 39 4.00 x 36 # S 1.5 Eatom= -430.950705358 3 3.00 4.00 7 4 -7.8205 1 2 0 0 4.00 x 38 4.00 x 41 4.00 x 35 # S 1.5 Eatom= -430.709679706 4 4.00 3.00 7 2 -8.0615 0 2 0 0 4.00 x 38 2.00 x 39 # S 1.5 Eatom= -430.656066438 5 3.00 4.00 7 4 -7.3385 1 2 0 0 4.00 x 38 4.00 x 36 4.00 x 43 # S 1.5 Eatom= -430.227628409 6 2.00 5.00 7 4 -6.9009 3 2 0 0 4.00 x 47 2.00 x 40 2.00 x 35 2.00 x 37 2.00 x 34 # S 1.0 Eatom= -430.084660463 7 2.00 5.00 7 4 -6.9009 2 1 0 0 4.00 x 46 4.00 x 42 4.00 x 34 # S 1.0 Eatom= -430.084660445 8 2.00 5.00 7 4 -6.8205 2 1 0 0 4.00 x 36 4.00 x 46 4.00 x 37 # S 1.0 Eatom= -430.004318574 9 3.00 4.00 7 2 -7.0974 1 1 0 0 2.00 x 39 4.00 x 41 # S 1.5 Eatom= -429.986602715 10 3.00 4.00 7 6 -6.9812 2 2 0 0 4.00 x 45 2.00 x 39 4.00 x 36 8.00 x 42 # S 1.0 Eatom= -429.870363394 11 2.00 5.00 7 4 -6.6598 2 1 0 0 4.00 x 41 4.00 x 42 4.00 x 37 # S 1.0 Eatom= -429.843634791 12 3.00 4.00 7 4 -6.9009 1 2 0 0 4.00 x 44 4.00 x 46 4.00 x 35 # S 1.0 Eatom= -429.790021525 13 1.00 6.00 7 2 -6.3026 3 0 0 0 2.00 x 37 2.00 x 48 2.00 x 34 # S 0.5 Eatom= -429.78100879 14 1.00 6.00 7 2 -6.3026 3 0 0 0 2.00 x 37 2.00 x 49 2.00 x 34 # S 0.5 Eatom= -429.781008738 15 2.00 5.00 7 2 -6.5795 2 1 0 0 2.00 x 40 2.00 x 43 2.00 x 37 # S 1.0 Eatom= -429.763292932 16 3.00 4.00 7 4 -6.8205 1 2 0 0 4.00 x 38 4.00 x 46 4.00 x 40 # S 1.0 Eatom= -429.709679654 17 4.00 3.00 7 6 -6.9812 0 4 0 0 8.00 x 44 4.00 x 45 4.00 x 38 2.00 x 39 # S 1.0 Eatom= -429.575724474 18 3.00 4.00 7 4 -6.6598 1 2 0 0 4.00 x 44 4.00 x 40 4.00 x 41 # S 1.0 Eatom= -429.548995871 19 2.00 5.00 7 2 -6.3026 2 1 0 0 2.00 x 40 2.00 x 35 2.00 x 48 # S 0.5 Eatom= -429.48636987 20 3.00 4.00 7 8 -6.4991 2 3 0 0 4.00 x 44 4.00 x 38 4.00 x 36 8.00 x 47 4.00 x 42 # S 1.0 Eatom= -429.388312105 21 3.00 4.00 7 2 -6.3385 1 1 0 0 2.00 x 39 4.00 x 46 # S 1.0 Eatom= -429.227628316 22 3.00 4.00 7 2 -6.3026 1 2 0 0 2.00 x 50 2.00 x 40 2.00 x 35 # S 0.5 Eatom= -429.191730898 23 3.00 4.00 7 4 -6.2581 1 2 0 0 4.00 x 44 4.00 x 42 4.00 x 43 # S 1.0 Eatom= -429.147286445 24 2.00 5.00 7 4 -5.9009 2 1 0 0 4.00 x 36 4.00 x 42 4.00 x 49 # S 0.5 Eatom= -429.08466038 25 3.00 4.00 7 4 -6.1778 1 2 0 0 4.00 x 45 4.00 x 46 4.00 x 41 # S 1.0 Eatom= -429.066944533 26 3.00 4.00 7 4 -5.9009 1 2 0 0 4.00 x 51 4.00 x 36 4.00 x 42 # S 0.5 Eatom= -428.79002143 27 4.00 3.00 7 4 -5.9009 0 3 0 0 4.00 x 44 4.00 x 38 4.00 x 50 # S 0.5 Eatom= -428.49538254 28 4.00 3.00 7 4 -5.9009 0 3 0 0 4.00 x 44 4.00 x 38 4.00 x 51 # S 0.5 Eatom= -428.49538251 29 4.00 3.00 7 4 -5.9009 0 3 0 0 4.00 x 45 4.00 x 39 4.00 x 51 # S 0.5 Eatom= -428.49538248 30 2.00 5.00 7 4 -5.0974 2 1 0 0 4.00 x 46 4.00 x 41 4.00 x 48 # S 0.5 Eatom= -428.281241571 31 3.00 4.00 7 4 -5.0974 1 2 0 0 4.00 x 51 4.00 x 46 4.00 x 41 # S 0.5 Eatom= -427.986602569 32 2.00 5.00 7 2 -4.6957 2 1 0 0 2.00 x 47 2.00 x 43 2.00 x 49 # S 0.5 Eatom= -427.879532111 33 3.00 4.00 7 2 -4.6957 1 2 0 0 2.00 x 50 2.00 x 47 2.00 x 43 # S 0.5 Eatom= -427.584893191 34 2.00 6.00 8 2 -9.4615 2 0 2 4 2.00 x 52 2.00 x 53 2.00 x 13 2.00 x 14 2.00 x 6 4.00 x 7 2.00 x 0 4.00 x 1 # S 1.0 Eatom= -493.18435627 35 3.00 5.00 8 2 -9.4615 1 1 3 3 2.00 x 54 2.00 x 52 2.00 x 6 2.00 x 0 2.00 x 19 4.00 x 12 2.00 x 22 4.00 x 3 # S 1.0 Eatom= -492.88971735 36 3.00 5.00 8 4 -9.2205 1 1 3 5 4.00 x 55 4.00 x 53 4.00 x 24 4.00 x 8 4.00 x 1 4.00 x 20 4.00 x 5 4.00 x 26 4.00 x 10 4.00 x 2 # S 1.0 Eatom= -492.648691674 37 2.00 6.00 8 2 -8.8410 2 0 2 4 2.00 x 52 2.00 x 53 2.00 x 13 2.00 x 14 2.00 x 6 2.00 x 15 4.00 x 8 4.00 x 11 # S 0.5 Eatom= -492.563843417 38 4.00 4.00 8 4 -9.2205 0 2 4 4 4.00 x 54 4.00 x 55 4.00 x 20 4.00 x 5 4.00 x 16 4.00 x 3 4.00 x 4 4.00 x 28 4.00 x 17 4.00 x 27 # S 1.0 Eatom= -492.354052754 39 4.00 4.00 8 2 -9.2205 0 1 4 3 4.00 x 55 2.00 x 10 2.00 x 9 2.00 x 2 2.00 x 21 2.00 x 4 4.00 x 29 2.00 x 17 # S 1.0 Eatom= -492.354052724 40 3.00 5.00 8 2 -8.8410 1 1 3 3 2.00 x 54 2.00 x 52 2.00 x 6 2.00 x 15 2.00 x 19 2.00 x 22 4.00 x 16 4.00 x 18 # S 0.5 Eatom= -492.269204497 41 3.00 5.00 8 4 -8.7385 1 1 3 5 4.00 x 55 4.00 x 52 4.00 x 30 4.00 x 1 4.00 x 11 4.00 x 31 4.00 x 25 4.00 x 9 4.00 x 18 4.00 x 3 # S 1.0 Eatom= -492.166640359 42 3.00 5.00 8 4 -8.6803 1 1 3 4 4.00 x 55 4.00 x 53 4.00 x 7 4.00 x 24 4.00 x 11 4.00 x 20 4.00 x 23 4.00 x 26 8.00 x 10 # S 0.5 Eatom= -492.108520692 43 3.00 5.00 8 2 -8.4974 1 1 3 3 2.00 x 54 2.00 x 53 2.00 x 32 2.00 x 15 2.00 x 0 4.00 x 5 4.00 x 23 2.00 x 33 # S 1.0 Eatom= -491.925614725 44 4.00 4.00 8 4 -8.6803 0 2 4 3 4.00 x 54 4.00 x 55 4.00 x 12 4.00 x 20 4.00 x 23 4.00 x 18 4.00 x 28 8.00 x 17 4.00 x 27 # S 0.5 Eatom= -491.813881772 45 4.00 4.00 8 2 -8.6803 0 1 2 2 4.00 x 55 4.00 x 25 4.00 x 10 4.00 x 29 4.00 x 17 # S 0.5 Eatom= -491.813881742 46 3.00 5.00 8 4 -8.3590 1 1 3 5 4.00 x 55 4.00 x 52 4.00 x 30 4.00 x 7 4.00 x 8 4.00 x 12 4.00 x 21 4.00 x 31 4.00 x 16 4.00 x 25 # S 0.5 Eatom= -491.787153159 47 3.00 5.00 8 2 -8.1983 1 1 2 2 2.00 x 54 2.00 x 53 4.00 x 6 2.00 x 32 8.00 x 20 2.00 x 33 # S 0.5 Eatom= -491.626469402 48 2.00 6.00 8 1 -7.6000 1 0 1 2 2.00 x 52 2.00 x 13 4.00 x 30 2.00 x 19 # S 0.0 Eatom= -491.322817742 49 2.00 6.00 8 1 -7.6000 1 0 1 2 2.00 x 53 2.00 x 14 2.00 x 32 4.00 x 24 # S 0.0 Eatom= -491.322817678 50 4.00 4.00 8 1 -7.6000 0 1 2 1 2.00 x 54 2.00 x 22 2.00 x 33 4.00 x 27 # S 0.0 Eatom= -490.733539838 51 4.00 4.00 8 2 -7.6000 0 1 2 2 4.00 x 55 4.00 x 31 4.00 x 26 4.00 x 28 4.00 x 29 # S 0.0 Eatom= -490.733539778 52 3.00 6.00 9 2 -11.2000 1 0 3 4 2.00 x 56 2.00 x 37 2.00 x 48 2.00 x 34 4.00 x 46 2.00 x 40 4.00 x 41 2.00 x 35 # S 0.5 Eatom= -555.167190886 53 3.00 6.00 9 2 -11.2000 1 0 3 4 2.00 x 56 2.00 x 37 2.00 x 49 2.00 x 34 4.00 x 36 2.00 x 47 4.00 x 42 2.00 x 43 # S 0.5 Eatom= -555.167190874 54 4.00 5.00 9 2 -11.2000 0 1 4 3 2.00 x 56 2.00 x 47 2.00 x 43 2.00 x 40 2.00 x 35 4.00 x 44 4.00 x 38 2.00 x 50 # S 0.5 Eatom= -554.872551954 55 4.00 5.00 9 4 -11.2000 0 1 4 5 4.00 x 56 4.00 x 36 4.00 x 46 4.00 x 41 4.00 x 42 4.00 x 44 4.00 x 45 4.00 x 38 4.00 x 39 4.00 x 51 # S 0.5 Eatom= -554.872551924 56 4.00 6.00 10 1 -14.0000 0 0 2 2 2.00 x 52 2.00 x 53 2.00 x 54 4.00 x 55 # S 0.0 Eatom= -618.211564008 # OCA diagrams, information is (pp0,pp1,pp2,pp3) (b1,b2) fact , where pp is pseudoparticle and b is bath 4 38 55 39 1 1 4.0 # [0.3482521998095649, 0.83030351572909922, 0.29463896244203625, 0.8303035457707324, 0.0, 0.0] 5 36 55 38 1 0 4.0 # [0.77669022901636708, 0.53566459572908798, 0.29463896244203625, 0.83030351572909922, 0.0, 0.0] 4 39 55 38 1 1 4.0 # [0.3482521998095649, 0.8303035457707324, 0.29463896244203625, 0.83030351572909922, 0.0, 0.0] 4 38 54 38 1 1 4.0 # [0.3482521998095649, 0.83030351572909922, 0.294638932400062, 0.83030351572909922, 0.0, 0.0] 3 35 54 38 1 0 4.0 # [0.29463893201670999, 0.2946389199999544, 0.294638932400062, 0.83030351572909922, 0.0, 0.0] 2 36 53 36 1 1 4.0 # [0.053613279809610503, 0.53566459572908798, 1.2400050763972104e-08, 0.53566459572908798, 0.0, 0.0] 1 34 53 36 1 0 4.0 # [1.2016698747174814e-08, 0.0, 1.2400050763972104e-08, 0.53566459572908798, 0.0, 0.0] 2 36 55 39 1 0 4.0 # [0.053613279809610503, 0.53566459572908798, 0.29463896244203625, 0.8303035457707324, 0.0, 0.0] 6 37 52 35 1 0 2.0 # [0.91965817563249175, 0.62051285324838545, 0.0, 0.2946389199999544, 0.0, 0.0] 6 34 52 40 1 0 2.0 # [0.91965817563249175, 0.0, 0.0, 0.91515177324833985, 0.0, 0.0] 0 34 52 35 1 0 2.0 # [0.0, 0.0, 0.0, 0.2946389199999544, 0.0, 0.0]