----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:28:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.783402570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.980630820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): *1 N 0.50000000000000 0.07980119630592 0.22967407042034 14.007 2 N 0.00000000000000 0.92019880369408 0.72967407042034 14.007 *3 N 0.50000000000000 0.32573947823390 0.66392920209119 14.007 4 N 0.00000000000000 0.67426052176610 0.16392920209119 14.007 *5 N 0.50000000000000 0.92393292071431 0.73557593808931 14.007 6 N 0.00000000000000 0.07606707928569 0.23557593808931 14.007 *7 N 0.74676610856198 0.05390305074687 0.49341169429658 14.007 8 N 0.75323389143802 0.94609694925313 0.99341169429658 14.007 9 N 0.25323389143802 0.05390305074687 0.49341169429658 14.007 10 N 0.24676610856198 0.94609694925313 0.99341169429658 14.007 *11 N 0.73996776882906 0.59413822973143 0.83058696093054 14.007 12 N 0.76003223117094 0.40586177026857 0.33058696093054 14.007 13 N 0.26003223117094 0.59413822973143 0.83058696093054 14.007 14 N 0.23996776882906 0.40586177026857 0.33058696093054 14.007 *15 N 0.00000000000000 0.69786096517149 0.47128114480182 14.007 16 N 0.50000000000000 0.30213903482851 0.97128114480182 14.007 *17 Si 0.50000000000000 0.10057112240096 0.60341274401264 28.085 18 Si 0.00000000000000 0.89942887759904 0.10341274401264 28.085 *19 Si 0.50000000000000 0.08033976353028 0.03947383268666 28.085 20 Si 0.00000000000000 0.91966023646972 0.53947383268666 28.085 *21 Si 0.50000000000000 0.44780189427502 0.82239099475611 28.085 22 Si 0.00000000000000 0.55219810572498 0.32239099475611 28.085 *23 Si 0.75112755941455 0.83610247320709 0.82099659733457 28.085 24 Si 0.74887244058545 0.16389752679291 0.32099659733457 28.085 25 Si 0.24887244058545 0.83610247320709 0.82099659733457 28.085 26 Si 0.25112755941455 0.16389752679291 0.32099659733457 28.085 *27 Ba 0.50000000000000 0.62119887917885 0.13105968004350 137.327 28 Ba 0.00000000000000 0.37880112082115 0.63105968004350 137.327 *29 Ba 0.50000000000000 0.64533370564961 0.50025186797502 137.327 30 Ba 0.00000000000000 0.35466629435039 0.00025186797502 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.783402570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.980630820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): *1 N 0.50000000000000 0.07980119630592 0.22967407042034 14.007 > 1 2 N 0.00000000000000 0.92019880369408 0.72967407042034 14.007 > 2 *3 N 0.50000000000000 0.32573947823390 0.66392920209119 14.007 > 3 4 N 0.00000000000000 0.67426052176610 0.16392920209119 14.007 > 4 *5 N 0.50000000000000 0.92393292071431 0.73557593808931 14.007 > 5 6 N 0.00000000000000 0.07606707928569 0.23557593808931 14.007 > 6 *7 N 0.74676610856198 0.05390305074687 0.49341169429658 14.007 > 7 8 N 0.75323389143802 0.94609694925313 0.99341169429658 14.007 > 8 9 N 0.25323389143802 0.05390305074687 0.49341169429658 14.007 > 9 10 N 0.24676610856198 0.94609694925313 0.99341169429658 14.007 > 10 *11 N 0.73996776882906 0.59413822973143 0.83058696093054 14.007 > 11 12 N 0.76003223117094 0.40586177026857 0.33058696093054 14.007 > 12 13 N 0.26003223117094 0.59413822973143 0.83058696093054 14.007 > 13 14 N 0.23996776882906 0.40586177026857 0.33058696093054 14.007 > 14 *15 N 0.00000000000000 0.69786096517149 0.47128114480182 14.007 > 15 16 N 0.50000000000000 0.30213903482851 0.97128114480182 14.007 > 16 *17 Si 0.50000000000000 0.10057112240096 0.60341274401264 28.085 > 17 18 Si 0.00000000000000 0.89942887759904 0.10341274401264 28.085 > 18 *19 Si 0.50000000000000 0.08033976353028 0.03947383268666 28.085 > 19 20 Si 0.00000000000000 0.91966023646972 0.53947383268666 28.085 > 20 *21 Si 0.50000000000000 0.44780189427502 0.82239099475611 28.085 > 21 22 Si 0.00000000000000 0.55219810572498 0.32239099475611 28.085 > 22 *23 Si 0.75112755941455 0.83610247320709 0.82099659733457 28.085 > 23 24 Si 0.74887244058545 0.16389752679291 0.32099659733457 28.085 > 24 25 Si 0.24887244058545 0.83610247320709 0.82099659733457 28.085 > 25 26 Si 0.25112755941455 0.16389752679291 0.32099659733457 28.085 > 26 *27 Ba 0.50000000000000 0.62119887917885 0.13105968004350 137.327 > 27 28 Ba 0.00000000000000 0.37880112082115 0.63105968004350 137.327 > 28 *29 Ba 0.50000000000000 0.64533370564961 0.50025186797502 137.327 > 29 30 Ba 0.00000000000000 0.35466629435039 0.00025186797502 137.327 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.566805140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.961261640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): *1 N 0.25000000000000 0.03990059815296 0.22967407042034 14.007 > 1 2 N 0.75000000000000 0.03990059815296 0.22967407042034 14.007 > 1 3 N 0.25000000000000 0.53990059815296 0.22967407042034 14.007 > 1 4 N 0.75000000000000 0.53990059815296 0.22967407042034 14.007 > 1 5 N 0.00000000000000 0.46009940184704 0.72967407042034 14.007 > 2 6 N 0.50000000000000 0.46009940184704 0.72967407042034 14.007 > 2 7 N 0.00000000000000 0.96009940184704 0.72967407042034 14.007 > 2 8 N 0.50000000000000 0.96009940184704 0.72967407042034 14.007 > 2 *9 N 0.25000000000000 0.16286973911695 0.66392920209119 14.007 > 3 10 N 0.75000000000000 0.16286973911695 0.66392920209119 14.007 > 3 11 N 0.25000000000000 0.66286973911695 0.66392920209119 14.007 > 3 12 N 0.75000000000000 0.66286973911695 0.66392920209119 14.007 > 3 13 N 0.00000000000000 0.33713026088305 0.16392920209119 14.007 > 4 14 N 0.50000000000000 0.33713026088305 0.16392920209119 14.007 > 4 15 N 0.00000000000000 0.83713026088305 0.16392920209119 14.007 > 4 16 N 0.50000000000000 0.83713026088305 0.16392920209119 14.007 > 4 *17 N 0.25000000000000 0.46196646035716 0.73557593808931 14.007 > 5 18 N 0.75000000000000 0.46196646035716 0.73557593808931 14.007 > 5 19 N 0.25000000000000 0.96196646035716 0.73557593808931 14.007 > 5 20 N 0.75000000000000 0.96196646035716 0.73557593808931 14.007 > 5 21 N 0.00000000000000 0.03803353964284 0.23557593808931 14.007 > 6 22 N 0.50000000000000 0.03803353964284 0.23557593808931 14.007 > 6 23 N 0.00000000000000 0.53803353964284 0.23557593808931 14.007 > 6 24 N 0.50000000000000 0.53803353964284 0.23557593808931 14.007 > 6 *25 N 0.37338305428099 0.02695152537344 0.49341169429658 14.007 > 7 26 N 0.87338305428099 0.02695152537344 0.49341169429658 14.007 > 7 27 N 0.37338305428099 0.52695152537344 0.49341169429658 14.007 > 7 28 N 0.87338305428099 0.52695152537344 0.49341169429658 14.007 > 7 29 N 0.37661694571901 0.47304847462656 0.99341169429658 14.007 > 8 30 N 0.87661694571901 0.47304847462656 0.99341169429658 14.007 > 8 31 N 0.37661694571901 0.97304847462656 0.99341169429658 14.007 > 8 32 N 0.87661694571901 0.97304847462656 0.99341169429658 14.007 > 8 33 N 0.12661694571901 0.02695152537344 0.49341169429658 14.007 > 9 34 N 0.62661694571901 0.02695152537344 0.49341169429658 14.007 > 9 35 N 0.12661694571901 0.52695152537344 0.49341169429658 14.007 > 9 36 N 0.62661694571901 0.52695152537344 0.49341169429658 14.007 > 9 37 N 0.12338305428099 0.47304847462656 0.99341169429658 14.007 > 10 38 N 0.62338305428099 0.47304847462656 0.99341169429658 14.007 > 10 39 N 0.12338305428099 0.97304847462656 0.99341169429658 14.007 > 10 40 N 0.62338305428099 0.97304847462656 0.99341169429658 14.007 > 10 *41 N 0.36998388441453 0.29706911486571 0.83058696093054 14.007 > 11 42 N 0.86998388441453 0.29706911486571 0.83058696093054 14.007 > 11 43 N 0.36998388441453 0.79706911486571 0.83058696093054 14.007 > 11 44 N 0.86998388441453 0.79706911486571 0.83058696093054 14.007 > 11 45 N 0.38001611558547 0.20293088513429 0.33058696093054 14.007 > 12 46 N 0.88001611558547 0.20293088513429 0.33058696093054 14.007 > 12 47 N 0.38001611558547 0.70293088513429 0.33058696093054 14.007 > 12 48 N 0.88001611558547 0.70293088513429 0.33058696093054 14.007 > 12 49 N 0.13001611558547 0.29706911486571 0.83058696093054 14.007 > 13 50 N 0.63001611558547 0.29706911486571 0.83058696093054 14.007 > 13 51 N 0.13001611558547 0.79706911486571 0.83058696093054 14.007 > 13 52 N 0.63001611558547 0.79706911486571 0.83058696093054 14.007 > 13 53 N 0.11998388441453 0.20293088513429 0.33058696093054 14.007 > 14 54 N 0.61998388441453 0.20293088513429 0.33058696093054 14.007 > 14 55 N 0.11998388441453 0.70293088513429 0.33058696093054 14.007 > 14 56 N 0.61998388441453 0.70293088513429 0.33058696093054 14.007 > 14 *57 N 0.00000000000000 0.34893048258575 0.47128114480182 14.007 > 15 58 N 0.50000000000000 0.34893048258575 0.47128114480182 14.007 > 15 59 N 0.00000000000000 0.84893048258575 0.47128114480182 14.007 > 15 60 N 0.50000000000000 0.84893048258575 0.47128114480182 14.007 > 15 61 N 0.25000000000000 0.15106951741425 0.97128114480182 14.007 > 16 62 N 0.75000000000000 0.15106951741425 0.97128114480182 14.007 > 16 63 N 0.25000000000000 0.65106951741425 0.97128114480182 14.007 > 16 64 N 0.75000000000000 0.65106951741425 0.97128114480182 14.007 > 16 *65 Si 0.25000000000000 0.05028556120048 0.60341274401264 28.085 > 17 66 Si 0.75000000000000 0.05028556120048 0.60341274401264 28.085 > 17 67 Si 0.25000000000000 0.55028556120048 0.60341274401264 28.085 > 17 68 Si 0.75000000000000 0.55028556120048 0.60341274401264 28.085 > 17 69 Si 0.00000000000000 0.44971443879952 0.10341274401264 28.085 > 18 70 Si 0.50000000000000 0.44971443879952 0.10341274401264 28.085 > 18 71 Si 0.00000000000000 0.94971443879952 0.10341274401264 28.085 > 18 72 Si 0.50000000000000 0.94971443879952 0.10341274401264 28.085 > 18 *73 Si 0.25000000000000 0.04016988176514 0.03947383268666 28.085 > 19 74 Si 0.75000000000000 0.04016988176514 0.03947383268666 28.085 > 19 75 Si 0.25000000000000 0.54016988176514 0.03947383268666 28.085 > 19 76 Si 0.75000000000000 0.54016988176514 0.03947383268666 28.085 > 19 77 Si 0.00000000000000 0.45983011823486 0.53947383268666 28.085 > 20 78 Si 0.50000000000000 0.45983011823486 0.53947383268666 28.085 > 20 79 Si 0.00000000000000 0.95983011823486 0.53947383268666 28.085 > 20 80 Si 0.50000000000000 0.95983011823486 0.53947383268666 28.085 > 20 *81 Si 0.25000000000000 0.22390094713751 0.82239099475611 28.085 > 21 82 Si 0.75000000000000 0.22390094713751 0.82239099475611 28.085 > 21 83 Si 0.25000000000000 0.72390094713751 0.82239099475611 28.085 > 21 84 Si 0.75000000000000 0.72390094713751 0.82239099475611 28.085 > 21 85 Si 0.00000000000000 0.27609905286249 0.32239099475611 28.085 > 22 86 Si 0.50000000000000 0.27609905286249 0.32239099475611 28.085 > 22 87 Si 0.00000000000000 0.77609905286249 0.32239099475611 28.085 > 22 88 Si 0.50000000000000 0.77609905286249 0.32239099475611 28.085 > 22 *89 Si 0.37556377970727 0.41805123660354 0.82099659733457 28.085 > 23 90 Si 0.87556377970727 0.41805123660354 0.82099659733457 28.085 > 23 91 Si 0.37556377970727 0.91805123660354 0.82099659733457 28.085 > 23 92 Si 0.87556377970727 0.91805123660354 0.82099659733457 28.085 > 23 93 Si 0.37443622029273 0.08194876339646 0.32099659733457 28.085 > 24 94 Si 0.87443622029273 0.08194876339646 0.32099659733457 28.085 > 24 95 Si 0.37443622029273 0.58194876339646 0.32099659733457 28.085 > 24 96 Si 0.87443622029273 0.58194876339646 0.32099659733457 28.085 > 24 97 Si 0.12443622029273 0.41805123660354 0.82099659733457 28.085 > 25 98 Si 0.62443622029273 0.41805123660354 0.82099659733457 28.085 > 25 99 Si 0.12443622029273 0.91805123660354 0.82099659733457 28.085 > 25 100 Si 0.62443622029273 0.91805123660354 0.82099659733457 28.085 > 25 101 Si 0.12556377970727 0.08194876339646 0.32099659733457 28.085 > 26 102 Si 0.62556377970727 0.08194876339646 0.32099659733457 28.085 > 26 103 Si 0.12556377970727 0.58194876339646 0.32099659733457 28.085 > 26 104 Si 0.62556377970727 0.58194876339646 0.32099659733457 28.085 > 26 *105 Ba 0.25000000000000 0.31059943958942 0.13105968004350 137.327 > 27 106 Ba 0.75000000000000 0.31059943958942 0.13105968004350 137.327 > 27 107 Ba 0.25000000000000 0.81059943958942 0.13105968004350 137.327 > 27 108 Ba 0.75000000000000 0.81059943958942 0.13105968004350 137.327 > 27 109 Ba 0.00000000000000 0.18940056041058 0.63105968004350 137.327 > 28 110 Ba 0.50000000000000 0.18940056041058 0.63105968004350 137.327 > 28 111 Ba 0.00000000000000 0.68940056041058 0.63105968004350 137.327 > 28 112 Ba 0.50000000000000 0.68940056041058 0.63105968004350 137.327 > 28 *113 Ba 0.25000000000000 0.32266685282481 0.50025186797502 137.327 > 29 114 Ba 0.75000000000000 0.32266685282481 0.50025186797502 137.327 > 29 115 Ba 0.25000000000000 0.82266685282481 0.50025186797502 137.327 > 29 116 Ba 0.75000000000000 0.82266685282481 0.50025186797502 137.327 > 29 117 Ba 0.00000000000000 0.17733314717519 0.00025186797502 137.327 > 30 118 Ba 0.50000000000000 0.17733314717519 0.00025186797502 137.327 > 30 119 Ba 0.00000000000000 0.67733314717519 0.00025186797502 137.327 > 30 120 Ba 0.50000000000000 0.67733314717519 0.00025186797502 137.327 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0985521 0.0000000 0.0000000 0.0000000 5.0979663 0.0000000 0.0000000 0.0000000 5.0121013 -------------------------- Born effective charges -------------------------- 1 N -2.7976819 0.0000000 0.0000000 0.0000000 -1.9796511 -0.3170176 0.0000000 -0.3641826 -2.9608488 2 N -2.7976819 0.0000000 0.0000000 0.0000000 -1.9796511 0.3170176 0.0000000 0.3641826 -2.9608488 3 N -2.2964672 0.0000000 0.0000000 0.0000000 -3.2465347 -0.6159540 0.0000000 -0.7583237 -2.7661708 4 N -2.2964672 0.0000000 0.0000000 0.0000000 -3.2465347 0.6159540 0.0000000 0.7583237 -2.7661708 5 N -2.6445233 0.0000000 0.0000000 0.0000000 -2.6526925 0.6630566 0.0000000 0.7041212 -2.6335152 6 N -2.6445233 0.0000000 0.0000000 0.0000000 -2.6526925 -0.6630566 0.0000000 -0.7041212 -2.6335152 7 N -3.0172611 0.3485346 0.2882829 0.4456354 -2.5704037 0.4324826 0.2537545 0.3187925 -2.7031743 8 N -3.0172611 0.3485346 -0.2882829 0.4456354 -2.5704037 -0.4324826 -0.2537545 -0.3187925 -2.7031743 9 N -3.0172611 -0.3485346 -0.2882829 -0.4456354 -2.5704037 0.4324826 -0.2537545 0.3187925 -2.7031743 10 N -3.0172611 -0.3485346 0.2882829 -0.4456354 -2.5704037 -0.4324826 0.2537545 -0.3187925 -2.7031743 11 N -2.6629477 -0.3168489 0.0616452 -0.3421548 -3.1735787 0.0693502 0.0176039 0.0292634 -2.2818466 12 N -2.6629477 -0.3168489 -0.0616452 -0.3421548 -3.1735787 -0.0693502 -0.0176039 -0.0292634 -2.2818466 13 N -2.6629477 0.3168489 -0.0616452 0.3421548 -3.1735787 0.0693502 -0.0176039 0.0292634 -2.2818466 14 N -2.6629477 0.3168489 0.0616452 0.3421548 -3.1735787 -0.0693502 0.0176039 -0.0292634 -2.2818466 15 N -2.2296626 0.0000000 0.0000000 0.0000000 -3.4781082 -0.6710666 0.0000000 -0.8228186 -2.6878351 16 N -2.2296626 0.0000000 0.0000000 0.0000000 -3.4781082 0.6710666 0.0000000 0.8228186 -2.6878351 17 Si 3.2613976 0.0000000 0.0000000 0.0000000 3.7002752 -0.0274183 0.0000000 0.0935741 3.2617672 18 Si 3.2613976 0.0000000 0.0000000 0.0000000 3.7002752 0.0274183 0.0000000 -0.0935741 3.2617672 19 Si 3.1452679 0.0000000 0.0000000 0.0000000 3.8319766 0.0675542 0.0000000 -0.1462012 3.2687934 20 Si 3.1452679 0.0000000 0.0000000 0.0000000 3.8319766 -0.0675542 0.0000000 0.1462012 3.2687934 21 Si 2.5837906 0.0000000 0.0000000 0.0000000 3.2954123 0.0600408 0.0000000 0.0201836 3.1616248 22 Si 2.5837906 0.0000000 0.0000000 0.0000000 3.2954123 -0.0600408 0.0000000 -0.0201836 3.1616248 23 Si 3.2557425 0.2075219 -0.1087273 0.0631130 3.3347467 0.2198754 -0.1321608 0.0578827 3.0029762 24 Si 3.2557425 0.2075219 0.1087273 0.0631130 3.3347467 -0.2198754 0.1321608 -0.0578827 3.0029762 25 Si 3.2557425 -0.2075219 0.1087273 -0.0631130 3.3347467 0.2198754 0.1321608 0.0578827 3.0029762 26 Si 3.2557425 -0.2075219 -0.1087273 -0.0631130 3.3347467 -0.2198754 -0.1321608 -0.0578827 3.0029762 27 Ba 2.9655325 0.0000000 0.0000000 0.0000000 2.5398744 -0.3500636 0.0000000 -0.3024208 2.6845447 28 Ba 2.9655325 0.0000000 0.0000000 0.0000000 2.5398744 0.3500636 0.0000000 0.3024208 2.6845447 29 Ba 2.8612791 0.0000000 0.0000000 0.0000000 2.8079195 0.2412279 0.0000000 0.2631797 2.6357293 30 Ba 2.8612791 0.0000000 0.0000000 0.0000000 2.8079195 -0.2412279 0.0000000 -0.2631797 2.6357293 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4266 Number of blocks in projector: 4266 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1062 Use submatrix version of eigh solver. (1) Block: 500 / 1062 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1062 / 1062 (2) Block: 250 / 562 (2) 228 eigenvectors found. (2) Block: 500 / 562 (2) 232 eigenvectors found. (2) Block: 562 / 562 (2) 50 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 234 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4266, 4194), data: False |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (738, 732), data: False |-- (738, 4), data: (738, 10) @ (10, 4) |-- (238, 234), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (1062, 1038), data: False |-- (1062, 22), data: (1062, 46) @ (46, 22) |-- (562, 540), data: False |-- (562, 30), data: (562, 52) @ (52, 30) |-- (62, 50), data: True |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 476), data: False |-- (500, 17), data: (500, 41) @ (41, 17) |-- (250, 226), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 960 - Time: 1.188 Solver_block: 200 / 960 - Time: 1.103 Solver_block: 300 / 960 - Time: 1.100 Solver_block: 400 / 960 - Time: 1.099 Solver_block: 500 / 960 - Time: 1.100 Solver_block: 600 / 960 - Time: 1.099 Solver_block: 700 / 960 - Time: 1.104 Solver_block: 800 / 960 - Time: 1.096 Solver_block: 900 / 960 - Time: 1.098 Solver_block: 960 / 960 - Time: 0.727 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.983 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4266 Number of blocks in projector: 4266 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1062 Use submatrix version of eigh solver. (1) Block: 500 / 1062 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1062 / 1062 (2) Block: 250 / 562 (2) 228 eigenvectors found. (2) Block: 500 / 562 (2) 232 eigenvectors found. (2) Block: 562 / 562 (2) 50 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 232 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 738 Use submatrix version of eigh solver. (1) Block: 500 / 738 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 738 / 738 (1) 234 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4266, 4194), data: False |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (738, 732), data: False |-- (738, 4), data: (738, 10) @ (10, 4) |-- (238, 234), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (738, 732), data: False |-- (738, 6), data: (738, 12) @ (12, 6) |-- (238, 232), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (1062, 1038), data: False |-- (1062, 22), data: (1062, 46) @ (46, 22) |-- (562, 540), data: False |-- (562, 30), data: (562, 52) @ (52, 30) |-- (62, 50), data: True |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 476), data: False |-- (500, 17), data: (500, 41) @ (41, 17) |-- (250, 226), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:29:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:29:02]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.783402570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.980630820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): 1 N 0.50000000000000 0.07980119630592 0.22967407042034 14.007 2 N 0.00000000000000 0.92019880369408 0.72967407042034 14.007 3 N 0.50000000000000 0.32573947823390 0.66392920209119 14.007 4 N 0.00000000000000 0.67426052176610 0.16392920209119 14.007 5 N 0.50000000000000 0.92393292071431 0.73557593808931 14.007 6 N 0.00000000000000 0.07606707928569 0.23557593808931 14.007 7 N 0.74676610856198 0.05390305074687 0.49341169429658 14.007 8 N 0.75323389143802 0.94609694925313 0.99341169429658 14.007 9 N 0.25323389143802 0.05390305074687 0.49341169429658 14.007 10 N 0.24676610856198 0.94609694925313 0.99341169429658 14.007 11 N 0.73996776882906 0.59413822973143 0.83058696093054 14.007 12 N 0.76003223117094 0.40586177026857 0.33058696093054 14.007 13 N 0.26003223117094 0.59413822973143 0.83058696093054 14.007 14 N 0.23996776882906 0.40586177026857 0.33058696093054 14.007 15 N 0.00000000000000 0.69786096517149 0.47128114480182 14.007 16 N 0.50000000000000 0.30213903482851 0.97128114480182 14.007 17 Si 0.50000000000000 0.10057112240096 0.60341274401264 28.085 18 Si 0.00000000000000 0.89942887759904 0.10341274401264 28.085 19 Si 0.50000000000000 0.08033976353028 0.03947383268666 28.085 20 Si 0.00000000000000 0.91966023646972 0.53947383268666 28.085 21 Si 0.50000000000000 0.44780189427502 0.82239099475611 28.085 22 Si 0.00000000000000 0.55219810572498 0.32239099475611 28.085 23 Si 0.75112755941455 0.83610247320709 0.82099659733457 28.085 24 Si 0.74887244058545 0.16389752679291 0.32099659733457 28.085 25 Si 0.24887244058545 0.83610247320709 0.82099659733457 28.085 26 Si 0.25112755941455 0.16389752679291 0.32099659733457 28.085 27 Ba 0.50000000000000 0.62119887917885 0.13105968004350 137.327 28 Ba 0.00000000000000 0.37880112082115 0.63105968004350 137.327 29 Ba 0.50000000000000 0.64533370564961 0.50025186797502 137.327 30 Ba 0.00000000000000 0.35466629435039 0.00025186797502 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.566805140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.961261640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): 1 N 0.25000000000000 0.03990059815296 0.22967407042034 14.007 > 1 2 N 0.75000000000000 0.03990059815296 0.22967407042034 14.007 > 1 3 N 0.25000000000000 0.53990059815296 0.22967407042034 14.007 > 1 4 N 0.75000000000000 0.53990059815296 0.22967407042034 14.007 > 1 5 N 0.00000000000000 0.46009940184704 0.72967407042034 14.007 > 5 6 N 0.50000000000000 0.46009940184704 0.72967407042034 14.007 > 5 7 N 0.00000000000000 0.96009940184704 0.72967407042034 14.007 > 5 8 N 0.50000000000000 0.96009940184704 0.72967407042034 14.007 > 5 9 N 0.25000000000000 0.16286973911695 0.66392920209119 14.007 > 9 10 N 0.75000000000000 0.16286973911695 0.66392920209119 14.007 > 9 11 N 0.25000000000000 0.66286973911695 0.66392920209119 14.007 > 9 12 N 0.75000000000000 0.66286973911695 0.66392920209119 14.007 > 9 13 N 0.00000000000000 0.33713026088305 0.16392920209119 14.007 > 13 14 N 0.50000000000000 0.33713026088305 0.16392920209119 14.007 > 13 15 N 0.00000000000000 0.83713026088305 0.16392920209119 14.007 > 13 16 N 0.50000000000000 0.83713026088305 0.16392920209119 14.007 > 13 17 N 0.25000000000000 0.46196646035716 0.73557593808931 14.007 > 17 18 N 0.75000000000000 0.46196646035716 0.73557593808931 14.007 > 17 19 N 0.25000000000000 0.96196646035716 0.73557593808931 14.007 > 17 20 N 0.75000000000000 0.96196646035716 0.73557593808931 14.007 > 17 21 N 0.00000000000000 0.03803353964284 0.23557593808931 14.007 > 21 22 N 0.50000000000000 0.03803353964284 0.23557593808931 14.007 > 21 23 N 0.00000000000000 0.53803353964284 0.23557593808931 14.007 > 21 24 N 0.50000000000000 0.53803353964284 0.23557593808931 14.007 > 21 25 N 0.37338305428099 0.02695152537344 0.49341169429658 14.007 > 25 26 N 0.87338305428099 0.02695152537344 0.49341169429658 14.007 > 25 27 N 0.37338305428099 0.52695152537344 0.49341169429658 14.007 > 25 28 N 0.87338305428099 0.52695152537344 0.49341169429658 14.007 > 25 29 N 0.37661694571901 0.47304847462656 0.99341169429658 14.007 > 29 30 N 0.87661694571901 0.47304847462656 0.99341169429658 14.007 > 29 31 N 0.37661694571901 0.97304847462656 0.99341169429658 14.007 > 29 32 N 0.87661694571901 0.97304847462656 0.99341169429658 14.007 > 29 33 N 0.12661694571901 0.02695152537344 0.49341169429658 14.007 > 33 34 N 0.62661694571901 0.02695152537344 0.49341169429658 14.007 > 33 35 N 0.12661694571901 0.52695152537344 0.49341169429658 14.007 > 33 36 N 0.62661694571901 0.52695152537344 0.49341169429658 14.007 > 33 37 N 0.12338305428099 0.47304847462656 0.99341169429658 14.007 > 37 38 N 0.62338305428099 0.47304847462656 0.99341169429658 14.007 > 37 39 N 0.12338305428099 0.97304847462656 0.99341169429658 14.007 > 37 40 N 0.62338305428099 0.97304847462656 0.99341169429658 14.007 > 37 41 N 0.36998388441453 0.29706911486571 0.83058696093054 14.007 > 41 42 N 0.86998388441453 0.29706911486571 0.83058696093054 14.007 > 41 43 N 0.36998388441453 0.79706911486571 0.83058696093054 14.007 > 41 44 N 0.86998388441453 0.79706911486571 0.83058696093054 14.007 > 41 45 N 0.38001611558547 0.20293088513429 0.33058696093054 14.007 > 45 46 N 0.88001611558547 0.20293088513429 0.33058696093054 14.007 > 45 47 N 0.38001611558547 0.70293088513429 0.33058696093054 14.007 > 45 48 N 0.88001611558547 0.70293088513429 0.33058696093054 14.007 > 45 49 N 0.13001611558547 0.29706911486571 0.83058696093054 14.007 > 49 50 N 0.63001611558547 0.29706911486571 0.83058696093054 14.007 > 49 51 N 0.13001611558547 0.79706911486571 0.83058696093054 14.007 > 49 52 N 0.63001611558547 0.79706911486571 0.83058696093054 14.007 > 49 53 N 0.11998388441453 0.20293088513429 0.33058696093054 14.007 > 53 54 N 0.61998388441453 0.20293088513429 0.33058696093054 14.007 > 53 55 N 0.11998388441453 0.70293088513429 0.33058696093054 14.007 > 53 56 N 0.61998388441453 0.70293088513429 0.33058696093054 14.007 > 53 57 N 0.00000000000000 0.34893048258575 0.47128114480182 14.007 > 57 58 N 0.50000000000000 0.34893048258575 0.47128114480182 14.007 > 57 59 N 0.00000000000000 0.84893048258575 0.47128114480182 14.007 > 57 60 N 0.50000000000000 0.84893048258575 0.47128114480182 14.007 > 57 61 N 0.25000000000000 0.15106951741425 0.97128114480182 14.007 > 61 62 N 0.75000000000000 0.15106951741425 0.97128114480182 14.007 > 61 63 N 0.25000000000000 0.65106951741425 0.97128114480182 14.007 > 61 64 N 0.75000000000000 0.65106951741425 0.97128114480182 14.007 > 61 65 Si 0.25000000000000 0.05028556120048 0.60341274401264 28.085 > 65 66 Si 0.75000000000000 0.05028556120048 0.60341274401264 28.085 > 65 67 Si 0.25000000000000 0.55028556120048 0.60341274401264 28.085 > 65 68 Si 0.75000000000000 0.55028556120048 0.60341274401264 28.085 > 65 69 Si 0.00000000000000 0.44971443879952 0.10341274401264 28.085 > 69 70 Si 0.50000000000000 0.44971443879952 0.10341274401264 28.085 > 69 71 Si 0.00000000000000 0.94971443879952 0.10341274401264 28.085 > 69 72 Si 0.50000000000000 0.94971443879952 0.10341274401264 28.085 > 69 73 Si 0.25000000000000 0.04016988176514 0.03947383268666 28.085 > 73 74 Si 0.75000000000000 0.04016988176514 0.03947383268666 28.085 > 73 75 Si 0.25000000000000 0.54016988176514 0.03947383268666 28.085 > 73 76 Si 0.75000000000000 0.54016988176514 0.03947383268666 28.085 > 73 77 Si 0.00000000000000 0.45983011823486 0.53947383268666 28.085 > 77 78 Si 0.50000000000000 0.45983011823486 0.53947383268666 28.085 > 77 79 Si 0.00000000000000 0.95983011823486 0.53947383268666 28.085 > 77 80 Si 0.50000000000000 0.95983011823486 0.53947383268666 28.085 > 77 81 Si 0.25000000000000 0.22390094713751 0.82239099475611 28.085 > 81 82 Si 0.75000000000000 0.22390094713751 0.82239099475611 28.085 > 81 83 Si 0.25000000000000 0.72390094713751 0.82239099475611 28.085 > 81 84 Si 0.75000000000000 0.72390094713751 0.82239099475611 28.085 > 81 85 Si 0.00000000000000 0.27609905286249 0.32239099475611 28.085 > 85 86 Si 0.50000000000000 0.27609905286249 0.32239099475611 28.085 > 85 87 Si 0.00000000000000 0.77609905286249 0.32239099475611 28.085 > 85 88 Si 0.50000000000000 0.77609905286249 0.32239099475611 28.085 > 85 89 Si 0.37556377970727 0.41805123660354 0.82099659733457 28.085 > 89 90 Si 0.87556377970727 0.41805123660354 0.82099659733457 28.085 > 89 91 Si 0.37556377970727 0.91805123660354 0.82099659733457 28.085 > 89 92 Si 0.87556377970727 0.91805123660354 0.82099659733457 28.085 > 89 93 Si 0.37443622029273 0.08194876339646 0.32099659733457 28.085 > 93 94 Si 0.87443622029273 0.08194876339646 0.32099659733457 28.085 > 93 95 Si 0.37443622029273 0.58194876339646 0.32099659733457 28.085 > 93 96 Si 0.87443622029273 0.58194876339646 0.32099659733457 28.085 > 93 97 Si 0.12443622029273 0.41805123660354 0.82099659733457 28.085 > 97 98 Si 0.62443622029273 0.41805123660354 0.82099659733457 28.085 > 97 99 Si 0.12443622029273 0.91805123660354 0.82099659733457 28.085 > 97 100 Si 0.62443622029273 0.91805123660354 0.82099659733457 28.085 > 97 101 Si 0.12556377970727 0.08194876339646 0.32099659733457 28.085 > 101 102 Si 0.62556377970727 0.08194876339646 0.32099659733457 28.085 > 101 103 Si 0.12556377970727 0.58194876339646 0.32099659733457 28.085 > 101 104 Si 0.62556377970727 0.58194876339646 0.32099659733457 28.085 > 101 105 Ba 0.25000000000000 0.31059943958942 0.13105968004350 137.327 > 105 106 Ba 0.75000000000000 0.31059943958942 0.13105968004350 137.327 > 105 107 Ba 0.25000000000000 0.81059943958942 0.13105968004350 137.327 > 105 108 Ba 0.75000000000000 0.81059943958942 0.13105968004350 137.327 > 105 109 Ba 0.00000000000000 0.18940056041058 0.63105968004350 137.327 > 109 110 Ba 0.50000000000000 0.18940056041058 0.63105968004350 137.327 > 109 111 Ba 0.00000000000000 0.68940056041058 0.63105968004350 137.327 > 109 112 Ba 0.50000000000000 0.68940056041058 0.63105968004350 137.327 > 109 113 Ba 0.25000000000000 0.32266685282481 0.50025186797502 137.327 > 113 114 Ba 0.75000000000000 0.32266685282481 0.50025186797502 137.327 > 113 115 Ba 0.25000000000000 0.82266685282481 0.50025186797502 137.327 > 113 116 Ba 0.75000000000000 0.82266685282481 0.50025186797502 137.327 > 113 117 Ba 0.00000000000000 0.17733314717519 0.00025186797502 137.327 > 117 118 Ba 0.50000000000000 0.17733314717519 0.00025186797502 137.327 > 117 119 Ba 0.00000000000000 0.67733314717519 0.00025186797502 137.327 > 117 120 Ba 0.50000000000000 0.67733314717519 0.00025186797502 137.327 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0985521 0.0000000 0.0000000 0.0000000 5.0979663 0.0000000 0.0000000 0.0000000 5.0121013 -------------------------- Born effective charges -------------------------- 1 N -2.7976819 0.0000000 0.0000000 0.0000000 -1.9796511 -0.3170176 0.0000000 -0.3641826 -2.9608488 2 N -2.7976819 0.0000000 0.0000000 0.0000000 -1.9796511 0.3170176 0.0000000 0.3641826 -2.9608488 3 N -2.2964672 0.0000000 0.0000000 0.0000000 -3.2465347 -0.6159540 0.0000000 -0.7583237 -2.7661708 4 N -2.2964672 0.0000000 0.0000000 0.0000000 -3.2465347 0.6159540 0.0000000 0.7583237 -2.7661708 5 N -2.6445233 0.0000000 0.0000000 0.0000000 -2.6526925 0.6630566 0.0000000 0.7041212 -2.6335152 6 N -2.6445233 0.0000000 0.0000000 0.0000000 -2.6526925 -0.6630566 0.0000000 -0.7041212 -2.6335152 7 N -3.0172611 0.3485346 0.2882829 0.4456354 -2.5704037 0.4324826 0.2537545 0.3187925 -2.7031743 8 N -3.0172611 0.3485346 -0.2882829 0.4456354 -2.5704037 -0.4324826 -0.2537545 -0.3187925 -2.7031743 9 N -3.0172611 -0.3485346 -0.2882829 -0.4456354 -2.5704037 0.4324826 -0.2537545 0.3187925 -2.7031743 10 N -3.0172611 -0.3485346 0.2882829 -0.4456354 -2.5704037 -0.4324826 0.2537545 -0.3187925 -2.7031743 11 N -2.6629477 -0.3168489 0.0616452 -0.3421548 -3.1735787 0.0693502 0.0176039 0.0292634 -2.2818466 12 N -2.6629477 -0.3168489 -0.0616452 -0.3421548 -3.1735787 -0.0693502 -0.0176039 -0.0292634 -2.2818466 13 N -2.6629477 0.3168489 -0.0616452 0.3421548 -3.1735787 0.0693502 -0.0176039 0.0292634 -2.2818466 14 N -2.6629477 0.3168489 0.0616452 0.3421548 -3.1735787 -0.0693502 0.0176039 -0.0292634 -2.2818466 15 N -2.2296626 0.0000000 0.0000000 0.0000000 -3.4781082 -0.6710666 0.0000000 -0.8228186 -2.6878351 16 N -2.2296626 0.0000000 0.0000000 0.0000000 -3.4781082 0.6710666 0.0000000 0.8228186 -2.6878351 17 Si 3.2613976 0.0000000 0.0000000 0.0000000 3.7002752 -0.0274183 0.0000000 0.0935741 3.2617672 18 Si 3.2613976 0.0000000 0.0000000 0.0000000 3.7002752 0.0274183 0.0000000 -0.0935741 3.2617672 19 Si 3.1452679 0.0000000 0.0000000 0.0000000 3.8319766 0.0675542 0.0000000 -0.1462012 3.2687934 20 Si 3.1452679 0.0000000 0.0000000 0.0000000 3.8319766 -0.0675542 0.0000000 0.1462012 3.2687934 21 Si 2.5837906 0.0000000 0.0000000 0.0000000 3.2954123 0.0600408 0.0000000 0.0201836 3.1616248 22 Si 2.5837906 0.0000000 0.0000000 0.0000000 3.2954123 -0.0600408 0.0000000 -0.0201836 3.1616248 23 Si 3.2557425 0.2075219 -0.1087273 0.0631130 3.3347467 0.2198754 -0.1321608 0.0578827 3.0029762 24 Si 3.2557425 0.2075219 0.1087273 0.0631130 3.3347467 -0.2198754 0.1321608 -0.0578827 3.0029762 25 Si 3.2557425 -0.2075219 0.1087273 -0.0631130 3.3347467 0.2198754 0.1321608 0.0578827 3.0029762 26 Si 3.2557425 -0.2075219 -0.1087273 -0.0631130 3.3347467 -0.2198754 -0.1321608 -0.0578827 3.0029762 27 Ba 2.9655325 0.0000000 0.0000000 0.0000000 2.5398744 -0.3500636 0.0000000 -0.3024208 2.6845447 28 Ba 2.9655325 0.0000000 0.0000000 0.0000000 2.5398744 0.3500636 0.0000000 0.3024208 2.6845447 29 Ba 2.8612791 0.0000000 0.0000000 0.0000000 2.8079195 0.2412279 0.0000000 0.2631797 2.6357293 30 Ba 2.8612791 0.0000000 0.0000000 0.0000000 2.8079195 -0.2412279 0.0000000 -0.2631797 2.6357293 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:29:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:29:55]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.783402570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.980630820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): 1 N 0.50000000000000 0.07980119630592 0.22967407042034 14.007 2 N 0.00000000000000 0.92019880369408 0.72967407042034 14.007 3 N 0.50000000000000 0.32573947823390 0.66392920209119 14.007 4 N 0.00000000000000 0.67426052176610 0.16392920209119 14.007 5 N 0.50000000000000 0.92393292071431 0.73557593808931 14.007 6 N 0.00000000000000 0.07606707928569 0.23557593808931 14.007 7 N 0.74676610856198 0.05390305074687 0.49341169429658 14.007 8 N 0.75323389143802 0.94609694925313 0.99341169429658 14.007 9 N 0.25323389143802 0.05390305074687 0.49341169429658 14.007 10 N 0.24676610856198 0.94609694925313 0.99341169429658 14.007 11 N 0.73996776882906 0.59413822973143 0.83058696093054 14.007 12 N 0.76003223117094 0.40586177026857 0.33058696093054 14.007 13 N 0.26003223117094 0.59413822973143 0.83058696093054 14.007 14 N 0.23996776882906 0.40586177026857 0.33058696093054 14.007 15 N 0.00000000000000 0.69786096517149 0.47128114480182 14.007 16 N 0.50000000000000 0.30213903482851 0.97128114480182 14.007 17 Si 0.50000000000000 0.10057112240096 0.60341274401264 28.085 18 Si 0.00000000000000 0.89942887759904 0.10341274401264 28.085 19 Si 0.50000000000000 0.08033976353028 0.03947383268666 28.085 20 Si 0.00000000000000 0.91966023646972 0.53947383268666 28.085 21 Si 0.50000000000000 0.44780189427502 0.82239099475611 28.085 22 Si 0.00000000000000 0.55219810572498 0.32239099475611 28.085 23 Si 0.75112755941455 0.83610247320709 0.82099659733457 28.085 24 Si 0.74887244058545 0.16389752679291 0.32099659733457 28.085 25 Si 0.24887244058545 0.83610247320709 0.82099659733457 28.085 26 Si 0.25112755941455 0.16389752679291 0.32099659733457 28.085 27 Ba 0.50000000000000 0.62119887917885 0.13105968004350 137.327 28 Ba 0.00000000000000 0.37880112082115 0.63105968004350 137.327 29 Ba 0.50000000000000 0.64533370564961 0.50025186797502 137.327 30 Ba 0.00000000000000 0.35466629435039 0.00025186797502 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.566805140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.961261640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.393620240000001 Atomic positions (fractional): 1 N 0.25000000000000 0.03990059815296 0.22967407042034 14.007 > 1 2 N 0.75000000000000 0.03990059815296 0.22967407042034 14.007 > 1 3 N 0.25000000000000 0.53990059815296 0.22967407042034 14.007 > 1 4 N 0.75000000000000 0.53990059815296 0.22967407042034 14.007 > 1 5 N 0.00000000000000 0.46009940184704 0.72967407042034 14.007 > 5 6 N 0.50000000000000 0.46009940184704 0.72967407042034 14.007 > 5 7 N 0.00000000000000 0.96009940184704 0.72967407042034 14.007 > 5 8 N 0.50000000000000 0.96009940184704 0.72967407042034 14.007 > 5 9 N 0.25000000000000 0.16286973911695 0.66392920209119 14.007 > 9 10 N 0.75000000000000 0.16286973911695 0.66392920209119 14.007 > 9 11 N 0.25000000000000 0.66286973911695 0.66392920209119 14.007 > 9 12 N 0.75000000000000 0.66286973911695 0.66392920209119 14.007 > 9 13 N 0.00000000000000 0.33713026088305 0.16392920209119 14.007 > 13 14 N 0.50000000000000 0.33713026088305 0.16392920209119 14.007 > 13 15 N 0.00000000000000 0.83713026088305 0.16392920209119 14.007 > 13 16 N 0.50000000000000 0.83713026088305 0.16392920209119 14.007 > 13 17 N 0.25000000000000 0.46196646035716 0.73557593808931 14.007 > 17 18 N 0.75000000000000 0.46196646035716 0.73557593808931 14.007 > 17 19 N 0.25000000000000 0.96196646035716 0.73557593808931 14.007 > 17 20 N 0.75000000000000 0.96196646035716 0.73557593808931 14.007 > 17 21 N 0.00000000000000 0.03803353964284 0.23557593808931 14.007 > 21 22 N 0.50000000000000 0.03803353964284 0.23557593808931 14.007 > 21 23 N 0.00000000000000 0.53803353964284 0.23557593808931 14.007 > 21 24 N 0.50000000000000 0.53803353964284 0.23557593808931 14.007 > 21 25 N 0.37338305428099 0.02695152537344 0.49341169429658 14.007 > 25 26 N 0.87338305428099 0.02695152537344 0.49341169429658 14.007 > 25 27 N 0.37338305428099 0.52695152537344 0.49341169429658 14.007 > 25 28 N 0.87338305428099 0.52695152537344 0.49341169429658 14.007 > 25 29 N 0.37661694571901 0.47304847462656 0.99341169429658 14.007 > 29 30 N 0.87661694571901 0.47304847462656 0.99341169429658 14.007 > 29 31 N 0.37661694571901 0.97304847462656 0.99341169429658 14.007 > 29 32 N 0.87661694571901 0.97304847462656 0.99341169429658 14.007 > 29 33 N 0.12661694571901 0.02695152537344 0.49341169429658 14.007 > 33 34 N 0.62661694571901 0.02695152537344 0.49341169429658 14.007 > 33 35 N 0.12661694571901 0.52695152537344 0.49341169429658 14.007 > 33 36 N 0.62661694571901 0.52695152537344 0.49341169429658 14.007 > 33 37 N 0.12338305428099 0.47304847462656 0.99341169429658 14.007 > 37 38 N 0.62338305428099 0.47304847462656 0.99341169429658 14.007 > 37 39 N 0.12338305428099 0.97304847462656 0.99341169429658 14.007 > 37 40 N 0.62338305428099 0.97304847462656 0.99341169429658 14.007 > 37 41 N 0.36998388441453 0.29706911486571 0.83058696093054 14.007 > 41 42 N 0.86998388441453 0.29706911486571 0.83058696093054 14.007 > 41 43 N 0.36998388441453 0.79706911486571 0.83058696093054 14.007 > 41 44 N 0.86998388441453 0.79706911486571 0.83058696093054 14.007 > 41 45 N 0.38001611558547 0.20293088513429 0.33058696093054 14.007 > 45 46 N 0.88001611558547 0.20293088513429 0.33058696093054 14.007 > 45 47 N 0.38001611558547 0.70293088513429 0.33058696093054 14.007 > 45 48 N 0.88001611558547 0.70293088513429 0.33058696093054 14.007 > 45 49 N 0.13001611558547 0.29706911486571 0.83058696093054 14.007 > 49 50 N 0.63001611558547 0.29706911486571 0.83058696093054 14.007 > 49 51 N 0.13001611558547 0.79706911486571 0.83058696093054 14.007 > 49 52 N 0.63001611558547 0.79706911486571 0.83058696093054 14.007 > 49 53 N 0.11998388441453 0.20293088513429 0.33058696093054 14.007 > 53 54 N 0.61998388441453 0.20293088513429 0.33058696093054 14.007 > 53 55 N 0.11998388441453 0.70293088513429 0.33058696093054 14.007 > 53 56 N 0.61998388441453 0.70293088513429 0.33058696093054 14.007 > 53 57 N 0.00000000000000 0.34893048258575 0.47128114480182 14.007 > 57 58 N 0.50000000000000 0.34893048258575 0.47128114480182 14.007 > 57 59 N 0.00000000000000 0.84893048258575 0.47128114480182 14.007 > 57 60 N 0.50000000000000 0.84893048258575 0.47128114480182 14.007 > 57 61 N 0.25000000000000 0.15106951741425 0.97128114480182 14.007 > 61 62 N 0.75000000000000 0.15106951741425 0.97128114480182 14.007 > 61 63 N 0.25000000000000 0.65106951741425 0.97128114480182 14.007 > 61 64 N 0.75000000000000 0.65106951741425 0.97128114480182 14.007 > 61 65 Si 0.25000000000000 0.05028556120048 0.60341274401264 28.085 > 65 66 Si 0.75000000000000 0.05028556120048 0.60341274401264 28.085 > 65 67 Si 0.25000000000000 0.55028556120048 0.60341274401264 28.085 > 65 68 Si 0.75000000000000 0.55028556120048 0.60341274401264 28.085 > 65 69 Si 0.00000000000000 0.44971443879952 0.10341274401264 28.085 > 69 70 Si 0.50000000000000 0.44971443879952 0.10341274401264 28.085 > 69 71 Si 0.00000000000000 0.94971443879952 0.10341274401264 28.085 > 69 72 Si 0.50000000000000 0.94971443879952 0.10341274401264 28.085 > 69 73 Si 0.25000000000000 0.04016988176514 0.03947383268666 28.085 > 73 74 Si 0.75000000000000 0.04016988176514 0.03947383268666 28.085 > 73 75 Si 0.25000000000000 0.54016988176514 0.03947383268666 28.085 > 73 76 Si 0.75000000000000 0.54016988176514 0.03947383268666 28.085 > 73 77 Si 0.00000000000000 0.45983011823486 0.53947383268666 28.085 > 77 78 Si 0.50000000000000 0.45983011823486 0.53947383268666 28.085 > 77 79 Si 0.00000000000000 0.95983011823486 0.53947383268666 28.085 > 77 80 Si 0.50000000000000 0.95983011823486 0.53947383268666 28.085 > 77 81 Si 0.25000000000000 0.22390094713751 0.82239099475611 28.085 > 81 82 Si 0.75000000000000 0.22390094713751 0.82239099475611 28.085 > 81 83 Si 0.25000000000000 0.72390094713751 0.82239099475611 28.085 > 81 84 Si 0.75000000000000 0.72390094713751 0.82239099475611 28.085 > 81 85 Si 0.00000000000000 0.27609905286249 0.32239099475611 28.085 > 85 86 Si 0.50000000000000 0.27609905286249 0.32239099475611 28.085 > 85 87 Si 0.00000000000000 0.77609905286249 0.32239099475611 28.085 > 85 88 Si 0.50000000000000 0.77609905286249 0.32239099475611 28.085 > 85 89 Si 0.37556377970727 0.41805123660354 0.82099659733457 28.085 > 89 90 Si 0.87556377970727 0.41805123660354 0.82099659733457 28.085 > 89 91 Si 0.37556377970727 0.91805123660354 0.82099659733457 28.085 > 89 92 Si 0.87556377970727 0.91805123660354 0.82099659733457 28.085 > 89 93 Si 0.37443622029273 0.08194876339646 0.32099659733457 28.085 > 93 94 Si 0.87443622029273 0.08194876339646 0.32099659733457 28.085 > 93 95 Si 0.37443622029273 0.58194876339646 0.32099659733457 28.085 > 93 96 Si 0.87443622029273 0.58194876339646 0.32099659733457 28.085 > 93 97 Si 0.12443622029273 0.41805123660354 0.82099659733457 28.085 > 97 98 Si 0.62443622029273 0.41805123660354 0.82099659733457 28.085 > 97 99 Si 0.12443622029273 0.91805123660354 0.82099659733457 28.085 > 97 100 Si 0.62443622029273 0.91805123660354 0.82099659733457 28.085 > 97 101 Si 0.12556377970727 0.08194876339646 0.32099659733457 28.085 > 101 102 Si 0.62556377970727 0.08194876339646 0.32099659733457 28.085 > 101 103 Si 0.12556377970727 0.58194876339646 0.32099659733457 28.085 > 101 104 Si 0.62556377970727 0.58194876339646 0.32099659733457 28.085 > 101 105 Ba 0.25000000000000 0.31059943958942 0.13105968004350 137.327 > 105 106 Ba 0.75000000000000 0.31059943958942 0.13105968004350 137.327 > 105 107 Ba 0.25000000000000 0.81059943958942 0.13105968004350 137.327 > 105 108 Ba 0.75000000000000 0.81059943958942 0.13105968004350 137.327 > 105 109 Ba 0.00000000000000 0.18940056041058 0.63105968004350 137.327 > 109 110 Ba 0.50000000000000 0.18940056041058 0.63105968004350 137.327 > 109 111 Ba 0.00000000000000 0.68940056041058 0.63105968004350 137.327 > 109 112 Ba 0.50000000000000 0.68940056041058 0.63105968004350 137.327 > 109 113 Ba 0.25000000000000 0.32266685282481 0.50025186797502 137.327 > 113 114 Ba 0.75000000000000 0.32266685282481 0.50025186797502 137.327 > 113 115 Ba 0.25000000000000 0.82266685282481 0.50025186797502 137.327 > 113 116 Ba 0.75000000000000 0.82266685282481 0.50025186797502 137.327 > 113 117 Ba 0.00000000000000 0.17733314717519 0.00025186797502 137.327 > 117 118 Ba 0.50000000000000 0.17733314717519 0.00025186797502 137.327 > 117 119 Ba 0.00000000000000 0.67733314717519 0.00025186797502 137.327 > 117 120 Ba 0.50000000000000 0.67733314717519 0.00025186797502 137.327 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0985521 0.0000000 0.0000000 0.0000000 5.0979663 0.0000000 0.0000000 0.0000000 5.0121013 -------------------------- Born effective charges -------------------------- 1 N -2.7976819 0.0000000 0.0000000 0.0000000 -1.9796511 -0.3170176 0.0000000 -0.3641826 -2.9608488 2 N -2.7976819 0.0000000 0.0000000 0.0000000 -1.9796511 0.3170176 0.0000000 0.3641826 -2.9608488 3 N -2.2964672 0.0000000 0.0000000 0.0000000 -3.2465347 -0.6159540 0.0000000 -0.7583237 -2.7661708 4 N -2.2964672 0.0000000 0.0000000 0.0000000 -3.2465347 0.6159540 0.0000000 0.7583237 -2.7661708 5 N -2.6445233 0.0000000 0.0000000 0.0000000 -2.6526925 0.6630566 0.0000000 0.7041212 -2.6335152 6 N -2.6445233 0.0000000 0.0000000 0.0000000 -2.6526925 -0.6630566 0.0000000 -0.7041212 -2.6335152 7 N -3.0172611 0.3485346 0.2882829 0.4456354 -2.5704037 0.4324826 0.2537545 0.3187925 -2.7031743 8 N -3.0172611 0.3485346 -0.2882829 0.4456354 -2.5704037 -0.4324826 -0.2537545 -0.3187925 -2.7031743 9 N -3.0172611 -0.3485346 -0.2882829 -0.4456354 -2.5704037 0.4324826 -0.2537545 0.3187925 -2.7031743 10 N -3.0172611 -0.3485346 0.2882829 -0.4456354 -2.5704037 -0.4324826 0.2537545 -0.3187925 -2.7031743 11 N -2.6629477 -0.3168489 0.0616452 -0.3421548 -3.1735787 0.0693502 0.0176039 0.0292634 -2.2818466 12 N -2.6629477 -0.3168489 -0.0616452 -0.3421548 -3.1735787 -0.0693502 -0.0176039 -0.0292634 -2.2818466 13 N -2.6629477 0.3168489 -0.0616452 0.3421548 -3.1735787 0.0693502 -0.0176039 0.0292634 -2.2818466 14 N -2.6629477 0.3168489 0.0616452 0.3421548 -3.1735787 -0.0693502 0.0176039 -0.0292634 -2.2818466 15 N -2.2296626 0.0000000 0.0000000 0.0000000 -3.4781082 -0.6710666 0.0000000 -0.8228186 -2.6878351 16 N -2.2296626 0.0000000 0.0000000 0.0000000 -3.4781082 0.6710666 0.0000000 0.8228186 -2.6878351 17 Si 3.2613976 0.0000000 0.0000000 0.0000000 3.7002752 -0.0274183 0.0000000 0.0935741 3.2617672 18 Si 3.2613976 0.0000000 0.0000000 0.0000000 3.7002752 0.0274183 0.0000000 -0.0935741 3.2617672 19 Si 3.1452679 0.0000000 0.0000000 0.0000000 3.8319766 0.0675542 0.0000000 -0.1462012 3.2687934 20 Si 3.1452679 0.0000000 0.0000000 0.0000000 3.8319766 -0.0675542 0.0000000 0.1462012 3.2687934 21 Si 2.5837906 0.0000000 0.0000000 0.0000000 3.2954123 0.0600408 0.0000000 0.0201836 3.1616248 22 Si 2.5837906 0.0000000 0.0000000 0.0000000 3.2954123 -0.0600408 0.0000000 -0.0201836 3.1616248 23 Si 3.2557425 0.2075219 -0.1087273 0.0631130 3.3347467 0.2198754 -0.1321608 0.0578827 3.0029762 24 Si 3.2557425 0.2075219 0.1087273 0.0631130 3.3347467 -0.2198754 0.1321608 -0.0578827 3.0029762 25 Si 3.2557425 -0.2075219 0.1087273 -0.0631130 3.3347467 0.2198754 0.1321608 0.0578827 3.0029762 26 Si 3.2557425 -0.2075219 -0.1087273 -0.0631130 3.3347467 -0.2198754 -0.1321608 -0.0578827 3.0029762 27 Ba 2.9655325 0.0000000 0.0000000 0.0000000 2.5398744 -0.3500636 0.0000000 -0.3024208 2.6845447 28 Ba 2.9655325 0.0000000 0.0000000 0.0000000 2.5398744 0.3500636 0.0000000 0.3024208 2.6845447 29 Ba 2.8612791 0.0000000 0.0000000 0.0000000 2.8079195 0.2412279 0.0000000 0.2631797 2.6357293 30 Ba 2.8612791 0.0000000 0.0000000 0.0000000 2.8079195 -0.2412279 0.0000000 -0.2631797 2.6357293 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xzx) -0.00000003 (xzx) -0.00000003 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 -0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 -0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 -0.000) 0.000 6.769 ( 0.000 0.000 -0.000) 0.000 6.870 ( 0.000 0.000 -0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 9.092 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 -0.000) 0.000 9.515 ( 0.000 0.000 -0.000) 0.000 9.889 ( 0.000 0.000 -0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 10.473 ( 0.000 0.000 -0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 -0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 -0.000) 0.000 11.825 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 -0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 -0.000) 0.000 13.250 ( 0.000 0.000 -0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.526 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 -0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 16.014 ( 0.000 0.000 0.000) 0.000 16.266 ( 0.000 0.000 0.000) 0.000 16.743 ( 0.000 0.000 0.000) 0.000 17.236 ( 0.000 0.000 0.000) 0.000 18.370 ( 0.000 0.000 -0.000) 0.000 18.425 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 -0.000) 0.000 19.805 ( 0.000 0.000 -0.000) 0.000 20.544 ( 0.000 0.000 0.000) 0.000 20.582 ( 0.000 0.000 -0.000) 0.000 20.687 ( 0.000 0.000 0.000) 0.000 21.240 ( 0.000 0.000 0.000) 0.000 21.346 ( 0.000 0.000 0.000) 0.000 21.747 ( 0.000 0.000 0.000) 0.000 21.808 ( 0.000 0.000 0.000) 0.000 22.681 ( 0.000 0.000 0.000) 0.000 22.920 ( 0.000 0.000 -0.000) 0.000 22.934 ( 0.000 0.000 0.000) 0.000 22.955 ( 0.000 0.000 0.000) 0.000 23.228 ( 0.000 0.000 -0.000) 0.000 23.238 ( 0.000 0.000 0.000) 0.000 24.466 ( 0.000 0.000 -0.000) 0.000 25.228 ( 0.000 0.000 -0.000) 0.000 25.232 ( 0.000 0.000 0.000) 0.000 25.318 ( 0.000 0.000 0.000) 0.000 25.479 ( 0.000 0.000 -0.000) 0.000 26.322 ( 0.000 0.000 -0.000) 0.000 26.387 ( 0.000 0.000 -0.000) 0.000 27.588 ( 0.000 0.000 0.000) 0.000 28.302 ( 0.000 0.000 0.000) 0.000 29.309 ( 0.000 0.000 0.000) 0.000 29.330 ( 0.000 0.000 -0.000) 0.000 29.843 ( 0.000 0.000 -0.000) 0.000 30.864 ( 0.000 0.000 -0.000) 0.000 31.840 ( 0.000 0.000 0.000) 0.000 32.670 ( 0.000 0.000 0.000) 0.000 32.999 ( 0.000 0.000 -0.000) 0.000 33.689 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 41.461 0.000 0.000) 41.461 0.834 ( 41.641 0.000 0.000) 41.641 1.575 ( 70.740 0.000 0.000) 70.740 2.372 ( -2.043 0.000 0.000) 2.043 2.421 ( 5.571 0.000 0.000) 5.571 2.552 ( 5.387 0.000 0.000) 5.387 3.009 ( -0.530 0.000 0.000) 0.530 3.302 ( 7.139 0.000 0.000) 7.139 3.393 ( -1.725 0.000 0.000) 1.725 3.493 ( -0.842 0.000 0.000) 0.842 3.871 ( -1.224 0.000 0.000) 1.224 3.988 ( 1.800 0.000 0.000) 1.800 4.072 ( 7.598 0.000 0.000) 7.598 4.673 ( 34.507 0.000 0.000) 34.507 4.763 ( 7.956 0.000 0.000) 7.956 4.906 ( 6.152 0.000 0.000) 6.152 5.227 ( 4.624 0.000 0.000) 4.624 6.271 ( -2.717 0.000 0.000) 2.717 6.395 ( 8.330 0.000 0.000) 8.330 6.810 ( -1.844 0.000 0.000) 1.844 7.454 ( 19.752 0.000 0.000) 19.752 7.590 ( 8.442 0.000 0.000) 8.442 8.207 ( 15.696 0.000 0.000) 15.696 8.311 ( 1.964 0.000 0.000) 1.964 8.496 ( 6.527 0.000 0.000) 6.527 8.648 ( 5.442 0.000 0.000) 5.442 9.150 ( 6.386 0.000 0.000) 6.386 9.207 ( 4.532 0.000 0.000) 4.532 9.317 ( -1.929 0.000 0.000) 1.929 9.624 ( 3.277 0.000 0.000) 3.277 9.737 ( 2.747 0.000 0.000) 2.747 10.111 ( -3.687 0.000 0.000) 3.687 10.130 ( 9.268 0.000 0.000) 9.268 10.538 ( 1.223 0.000 0.000) 1.223 10.622 ( -2.127 0.000 0.000) 2.127 10.881 ( -0.850 0.000 0.000) 0.850 11.085 ( 1.455 0.000 0.000) 1.455 11.226 ( 14.627 0.000 0.000) 14.627 11.350 ( 13.935 0.000 0.000) 13.935 11.819 ( -21.939 0.000 0.000) 21.939 11.819 ( 14.358 0.000 0.000) 14.358 11.867 ( 4.521 0.000 0.000) 4.521 12.385 ( -3.381 0.000 0.000) 3.381 12.837 ( 9.726 0.000 0.000) 9.726 13.334 ( 0.321 0.000 0.000) 0.321 13.577 ( 7.953 0.000 0.000) 7.953 13.871 ( 3.820 0.000 0.000) 3.820 14.017 ( -14.423 0.000 0.000) 14.423 14.343 ( -7.520 0.000 0.000) 7.520 14.692 ( 10.604 0.000 0.000) 10.604 15.438 ( -25.980 0.000 0.000) 25.980 15.945 ( -0.673 0.000 0.000) 0.673 16.246 ( -1.989 0.000 0.000) 1.989 17.002 ( 17.569 0.000 0.000) 17.569 17.232 ( 0.621 0.000 0.000) 0.621 18.168 ( -17.394 0.000 0.000) 17.394 18.377 ( -8.002 0.000 0.000) 8.002 18.571 ( -9.223 0.000 0.000) 9.223 19.481 ( -20.767 0.000 0.000) 20.767 19.622 ( -18.264 0.000 0.000) 18.264 20.438 ( -8.863 0.000 0.000) 8.863 20.541 ( -2.008 0.000 0.000) 2.008 20.981 ( -1.216 0.000 0.000) 1.216 21.282 ( 1.196 0.000 0.000) 1.196 21.376 ( 8.353 0.000 0.000) 8.353 21.752 ( 2.327 0.000 0.000) 2.327 21.862 ( 5.234 0.000 0.000) 5.234 22.670 ( -0.909 0.000 0.000) 0.909 22.918 ( -1.069 0.000 0.000) 1.069 22.962 ( 2.216 0.000 0.000) 2.216 23.235 ( 8.850 0.000 0.000) 8.850 23.294 ( 6.347 0.000 0.000) 6.347 24.433 ( -2.805 0.000 0.000) 2.805 25.030 ( -12.708 0.000 0.000) 12.708 25.280 ( 4.542 0.000 0.000) 4.542 25.446 ( 13.451 0.000 0.000) 13.451 25.686 ( 13.402 0.000 0.000) 13.402 26.311 ( -1.222 0.000 0.000) 1.222 26.449 ( 6.652 0.000 0.000) 6.652 26.708 ( 3.355 0.000 0.000) 3.355 27.593 ( 0.579 0.000 0.000) 0.579 28.266 ( -3.616 0.000 0.000) 3.616 29.345 ( 1.455 0.000 0.000) 1.455 29.783 ( -4.791 0.000 0.000) 4.791 30.092 ( 6.117 0.000 0.000) 6.117 30.849 ( -1.580 0.000 0.000) 1.580 31.860 ( 2.064 0.000 0.000) 2.064 32.649 ( -2.268 0.000 0.000) 2.268 32.980 ( -1.681 0.000 0.000) 1.681 33.650 ( -4.037 0.000 0.000) 4.037 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 26.681 0.000 0.000) 26.681 1.570 ( 36.686 0.000 0.000) 36.686 2.341 ( -1.315 0.000 0.000) 1.315 2.550 ( 14.475 0.000 0.000) 14.475 2.602 ( 26.790 0.000 0.000) 26.790 2.649 ( 4.139 0.000 0.000) 4.139 3.026 ( 2.638 0.000 0.000) 2.638 3.400 ( 3.878 0.000 0.000) 3.878 3.437 ( 6.262 0.000 0.000) 6.262 3.474 ( -0.749 0.000 0.000) 0.749 3.842 ( -1.485 0.000 0.000) 1.485 4.042 ( 3.255 0.000 0.000) 3.255 4.337 ( 20.464 0.000 0.000) 20.464 4.862 ( 5.537 0.000 0.000) 5.537 5.169 ( 17.329 0.000 0.000) 17.329 5.317 ( 8.106 0.000 0.000) 8.106 5.624 ( 56.411 0.000 0.000) 56.411 6.213 ( -3.355 0.000 0.000) 3.355 6.421 ( -5.520 0.000 0.000) 5.520 6.911 ( 9.143 0.000 0.000) 9.143 7.772 ( 9.234 0.000 0.000) 9.234 7.828 ( 16.166 0.000 0.000) 16.166 8.288 ( -6.944 0.000 0.000) 6.944 8.615 ( 25.335 0.000 0.000) 25.335 8.651 ( 9.844 0.000 0.000) 9.844 8.753 ( 8.214 0.000 0.000) 8.214 9.286 ( 4.922 0.000 0.000) 4.922 9.323 ( 3.395 0.000 0.000) 3.395 9.366 ( 13.186 0.000 0.000) 13.186 9.749 ( 14.173 0.000 0.000) 14.173 9.926 ( 8.710 0.000 0.000) 8.710 9.971 ( -12.462 0.000 0.000) 12.462 10.338 ( 14.749 0.000 0.000) 14.749 10.447 ( -3.863 0.000 0.000) 3.863 10.745 ( 9.184 0.000 0.000) 9.184 10.863 ( -0.837 0.000 0.000) 0.837 11.125 ( 3.522 0.000 0.000) 3.522 11.386 ( -17.263 0.000 0.000) 17.263 11.619 ( 24.167 0.000 0.000) 24.167 11.761 ( 24.191 0.000 0.000) 24.191 12.010 ( 11.294 0.000 0.000) 11.294 12.166 ( 20.581 0.000 0.000) 20.581 12.296 ( -2.979 0.000 0.000) 2.979 13.037 ( 6.455 0.000 0.000) 6.455 13.141 ( -17.271 0.000 0.000) 17.271 13.720 ( -15.757 0.000 0.000) 15.757 13.798 ( 12.865 0.000 0.000) 12.865 13.992 ( 5.768 0.000 0.000) 5.768 14.137 ( -14.360 0.000 0.000) 14.360 14.844 ( 4.393 0.000 0.000) 4.393 14.964 ( -17.503 0.000 0.000) 17.503 15.984 ( 4.027 0.000 0.000) 4.027 16.191 ( -3.885 0.000 0.000) 3.885 17.141 ( -0.642 0.000 0.000) 0.642 17.380 ( 11.291 0.000 0.000) 11.291 17.771 ( -22.561 0.000 0.000) 22.561 18.109 ( -20.381 0.000 0.000) 20.381 18.332 ( -14.995 0.000 0.000) 14.995 18.968 ( -29.584 0.000 0.000) 29.584 19.160 ( -27.800 0.000 0.000) 27.800 20.272 ( -7.518 0.000 0.000) 7.518 20.488 ( -5.037 0.000 0.000) 5.037 20.864 ( -6.216 0.000 0.000) 6.216 21.214 ( -7.369 0.000 0.000) 7.369 21.658 ( 17.182 0.000 0.000) 17.182 21.872 ( 9.021 0.000 0.000) 9.021 21.998 ( 8.700 0.000 0.000) 8.700 22.654 ( -0.577 0.000 0.000) 0.577 22.871 ( -4.073 0.000 0.000) 4.073 22.966 ( -2.068 0.000 0.000) 2.068 23.467 ( 14.714 0.000 0.000) 14.714 23.487 ( 12.897 0.000 0.000) 12.897 24.374 ( -3.344 0.000 0.000) 3.344 24.806 ( -10.657 0.000 0.000) 10.657 25.408 ( 8.550 0.000 0.000) 8.550 25.735 ( 14.679 0.000 0.000) 14.679 25.902 ( 8.883 0.000 0.000) 8.883 26.273 ( -2.775 0.000 0.000) 2.775 26.634 ( 11.758 0.000 0.000) 11.758 26.797 ( 5.735 0.000 0.000) 5.735 27.616 ( 2.042 0.000 0.000) 2.042 28.170 ( -6.161 0.000 0.000) 6.161 29.382 ( 2.217 0.000 0.000) 2.217 29.687 ( -4.897 0.000 0.000) 4.897 30.225 ( 7.424 0.000 0.000) 7.424 30.805 ( -3.002 0.000 0.000) 3.002 31.920 ( 4.108 0.000 0.000) 4.108 32.578 ( -5.158 0.000 0.000) 5.158 32.955 ( -0.402 0.000 0.000) 0.402 33.540 ( -7.102 0.000 0.000) 7.102 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 13.710 0.000 0.000) 13.710 2.142 ( 16.777 0.000 0.000) 16.777 2.355 ( 7.815 0.000 0.000) 7.815 2.689 ( 4.367 0.000 0.000) 4.367 2.705 ( 1.906 0.000 0.000) 1.906 2.894 ( 2.949 0.000 0.000) 2.949 3.109 ( 5.712 0.000 0.000) 5.712 3.419 ( -2.741 0.000 0.000) 2.741 3.544 ( 5.159 0.000 0.000) 5.159 3.601 ( 11.063 0.000 0.000) 11.063 3.830 ( 1.187 0.000 0.000) 1.187 4.080 ( 0.059 0.000 0.000) 0.059 4.847 ( 31.257 0.000 0.000) 31.257 5.056 ( 15.347 0.000 0.000) 15.347 5.451 ( 6.836 0.000 0.000) 6.836 5.464 ( 11.584 0.000 0.000) 11.584 6.117 ( -7.876 0.000 0.000) 7.876 6.267 ( -9.834 0.000 0.000) 9.834 6.620 ( 36.133 0.000 0.000) 36.133 6.989 ( -2.266 0.000 0.000) 2.266 7.890 ( 4.329 0.000 0.000) 4.329 8.069 ( 10.249 0.000 0.000) 10.249 8.246 ( 10.224 0.000 0.000) 10.224 8.818 ( 3.826 0.000 0.000) 3.826 9.019 ( 21.231 0.000 0.000) 21.231 9.030 ( 12.028 0.000 0.000) 12.028 9.360 ( -5.503 0.000 0.000) 5.503 9.425 ( -5.534 0.000 0.000) 5.534 9.496 ( 14.629 0.000 0.000) 14.629 9.855 ( 8.106 0.000 0.000) 8.106 9.950 ( 4.091 0.000 0.000) 4.091 10.147 ( 16.693 0.000 0.000) 16.693 10.384 ( -4.588 0.000 0.000) 4.588 10.672 ( 16.936 0.000 0.000) 16.936 10.862 ( 1.483 0.000 0.000) 1.483 10.874 ( 1.081 0.000 0.000) 1.081 11.012 ( -8.560 0.000 0.000) 8.560 11.448 ( 19.425 0.000 0.000) 19.425 12.005 ( 13.832 0.000 0.000) 13.832 12.257 ( 12.420 0.000 0.000) 12.420 12.274 ( 9.196 0.000 0.000) 9.196 12.359 ( 23.048 0.000 0.000) 23.048 12.582 ( 22.420 0.000 0.000) 22.420 12.588 ( -30.035 0.000 0.000) 30.035 13.220 ( 8.303 0.000 0.000) 8.303 13.428 ( -14.006 0.000 0.000) 14.006 13.794 ( -20.410 0.000 0.000) 20.410 13.907 ( -7.971 0.000 0.000) 7.971 14.103 ( 13.126 0.000 0.000) 13.126 14.843 ( -4.608 0.000 0.000) 4.608 14.918 ( 11.483 0.000 0.000) 11.483 16.080 ( -8.618 0.000 0.000) 8.618 16.091 ( 7.085 0.000 0.000) 7.085 17.124 ( -0.285 0.000 0.000) 0.285 17.304 ( -28.785 0.000 0.000) 28.785 17.522 ( 3.550 0.000 0.000) 3.550 17.615 ( -26.195 0.000 0.000) 26.195 18.019 ( -16.865 0.000 0.000) 16.865 18.488 ( -17.936 0.000 0.000) 17.936 18.645 ( -23.353 0.000 0.000) 23.353 20.167 ( -3.284 0.000 0.000) 3.284 20.347 ( -8.325 0.000 0.000) 8.325 20.808 ( -0.262 0.000 0.000) 0.262 21.053 ( -8.390 0.000 0.000) 8.390 21.961 ( 13.446 0.000 0.000) 13.446 22.046 ( 8.106 0.000 0.000) 8.106 22.182 ( 9.946 0.000 0.000) 9.946 22.654 ( 0.831 0.000 0.000) 0.831 22.756 ( -7.919 0.000 0.000) 7.919 22.894 ( -4.953 0.000 0.000) 4.953 23.751 ( 13.842 0.000 0.000) 13.842 23.777 ( 16.912 0.000 0.000) 16.912 24.298 ( -4.782 0.000 0.000) 4.782 24.605 ( -10.756 0.000 0.000) 10.756 25.596 ( 10.651 0.000 0.000) 10.651 25.953 ( 6.777 0.000 0.000) 6.777 26.042 ( 6.009 0.000 0.000) 6.009 26.209 ( -3.377 0.000 0.000) 3.377 26.854 ( 9.963 0.000 0.000) 9.963 26.914 ( 5.875 0.000 0.000) 5.875 27.676 ( 4.190 0.000 0.000) 4.190 28.039 ( -7.217 0.000 0.000) 7.217 29.426 ( 2.361 0.000 0.000) 2.361 29.599 ( -4.186 0.000 0.000) 4.186 30.371 ( 7.608 0.000 0.000) 7.608 30.734 ( -4.383 0.000 0.000) 4.383 32.017 ( 6.004 0.000 0.000) 6.004 32.454 ( -7.544 0.000 0.000) 7.544 32.980 ( 3.172 0.000 0.000) 3.172 33.387 ( -8.618 0.000 0.000) 8.618 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 7.560 0.000 0.000) 7.560 2.180 ( -3.903 0.000 0.000) 3.903 2.652 ( 14.205 0.000 0.000) 14.205 2.731 ( 0.943 0.000 0.000) 0.943 2.732 ( 0.621 0.000 0.000) 0.621 2.848 ( -6.309 0.000 0.000) 6.309 3.229 ( 6.373 0.000 0.000) 6.373 3.342 ( -5.132 0.000 0.000) 5.132 3.639 ( 4.419 0.000 0.000) 4.419 3.695 ( -0.707 0.000 0.000) 0.707 3.929 ( 7.305 0.000 0.000) 7.305 4.041 ( -3.998 0.000 0.000) 3.998 5.426 ( 22.061 0.000 0.000) 22.061 5.437 ( 22.947 0.000 0.000) 22.947 5.577 ( 0.078 0.000 0.000) 0.078 5.615 ( 14.389 0.000 0.000) 14.389 5.862 ( -18.905 0.000 0.000) 18.905 6.013 ( -18.219 0.000 0.000) 18.219 6.882 ( -0.079 0.000 0.000) 0.079 6.898 ( -3.967 0.000 0.000) 3.967 8.108 ( 14.266 0.000 0.000) 14.266 8.219 ( 3.537 0.000 0.000) 3.537 8.566 ( 16.865 0.000 0.000) 16.865 8.875 ( 5.885 0.000 0.000) 5.885 8.915 ( -21.993 0.000 0.000) 21.993 9.054 ( -9.249 0.000 0.000) 9.249 9.449 ( 17.470 0.000 0.000) 17.470 9.546 ( 4.698 0.000 0.000) 4.698 9.765 ( 10.231 0.000 0.000) 10.231 9.948 ( -4.688 0.000 0.000) 4.688 10.122 ( 14.200 0.000 0.000) 14.200 10.276 ( -4.484 0.000 0.000) 4.484 10.471 ( 18.653 0.000 0.000) 18.653 10.752 ( -8.572 0.000 0.000) 8.572 10.898 ( 10.710 0.000 0.000) 10.710 10.975 ( 8.281 0.000 0.000) 8.281 11.019 ( 1.375 0.000 0.000) 1.375 11.416 ( -33.141 0.000 0.000) 33.141 12.206 ( 8.026 0.000 0.000) 8.026 12.271 ( 21.292 0.000 0.000) 21.292 12.318 ( -3.789 0.000 0.000) 3.789 12.618 ( -2.902 0.000 0.000) 2.902 12.678 ( 16.008 0.000 0.000) 16.008 12.883 ( -0.326 0.000 0.000) 0.326 13.266 ( -0.517 0.000 0.000) 0.517 13.314 ( -1.080 0.000 0.000) 1.080 13.513 ( 0.738 0.000 0.000) 0.738 13.713 ( -11.011 0.000 0.000) 11.011 14.387 ( 15.754 0.000 0.000) 15.754 14.674 ( -12.692 0.000 0.000) 12.692 15.293 ( 25.947 0.000 0.000) 25.947 15.801 ( -22.068 0.000 0.000) 22.068 16.271 ( 12.833 0.000 0.000) 12.833 16.668 ( -30.348 0.000 0.000) 30.348 17.152 ( 3.694 0.000 0.000) 3.694 17.280 ( -10.306 0.000 0.000) 10.306 17.570 ( 3.592 0.000 0.000) 3.592 17.723 ( -12.622 0.000 0.000) 12.622 18.283 ( -3.986 0.000 0.000) 3.986 18.329 ( -9.106 0.000 0.000) 9.106 20.146 ( 1.106 0.000 0.000) 1.106 20.209 ( -5.439 0.000 0.000) 5.439 20.833 ( 2.744 0.000 0.000) 2.744 20.914 ( -5.796 0.000 0.000) 5.796 22.148 ( 5.253 0.000 0.000) 5.253 22.160 ( 3.301 0.000 0.000) 3.301 22.373 ( 10.254 0.000 0.000) 10.254 22.576 ( -10.417 0.000 0.000) 10.417 22.697 ( 3.728 0.000 0.000) 3.728 22.790 ( -5.547 0.000 0.000) 5.547 23.996 ( 11.289 0.000 0.000) 11.289 24.095 ( 15.502 0.000 0.000) 15.502 24.181 ( -7.305 0.000 0.000) 7.305 24.378 ( -13.141 0.000 0.000) 13.141 25.799 ( 10.024 0.000 0.000) 10.024 25.959 ( -5.575 0.000 0.000) 5.575 26.134 ( 3.464 0.000 0.000) 3.464 26.172 ( -0.845 0.000 0.000) 0.845 26.989 ( 3.813 0.000 0.000) 3.813 27.000 ( 2.456 0.000 0.000) 2.456 27.775 ( 5.988 0.000 0.000) 5.988 27.901 ( -7.022 0.000 0.000) 7.022 29.473 ( 2.565 0.000 0.000) 2.565 29.528 ( -3.253 0.000 0.000) 3.253 30.512 ( 6.993 0.000 0.000) 6.993 30.636 ( -5.797 0.000 0.000) 5.797 32.148 ( 7.491 0.000 0.000) 7.491 32.300 ( -8.190 0.000 0.000) 8.190 33.075 ( 6.491 0.000 0.000) 6.491 33.220 ( -8.408 0.000 0.000) 8.408 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 41.279 0.000) 41.279 0.921 ( 0.000 41.157 0.000) 41.157 1.593 ( 0.000 71.202 0.000) 71.202 2.251 ( 0.000 -7.218 0.000) 7.218 2.483 ( 0.000 0.296 0.000) 0.296 2.492 ( 0.000 4.325 0.000) 4.325 3.086 ( 0.000 5.400 0.000) 5.400 3.211 ( 0.000 -1.382 0.000) 1.382 3.437 ( 0.000 -1.873 0.000) 1.873 3.464 ( 0.000 4.334 0.000) 4.334 3.876 ( 0.000 -0.971 0.000) 0.971 3.914 ( 0.000 0.671 0.000) 0.671 3.977 ( 0.000 -0.437 0.000) 0.437 4.100 ( 0.000 6.548 0.000) 6.548 4.633 ( 0.000 1.249 0.000) 1.249 5.411 ( 0.000 5.413 0.000) 5.413 5.416 ( 0.000 16.436 0.000) 16.436 5.995 ( 0.000 -17.277 0.000) 17.277 6.366 ( 0.000 5.004 0.000) 5.004 6.643 ( 0.000 -20.590 0.000) 20.590 6.961 ( 0.000 10.236 0.000) 10.236 7.312 ( 0.000 2.671 0.000) 2.671 7.787 ( 0.000 -13.652 0.000) 13.652 7.839 ( 0.000 -34.704 0.000) 34.704 8.349 ( 0.000 2.518 0.000) 2.518 8.389 ( 0.000 -20.300 0.000) 20.300 9.011 ( 0.000 -6.609 0.000) 6.609 9.085 ( 0.000 -14.785 0.000) 14.785 9.477 ( 0.000 -10.402 0.000) 10.402 9.572 ( 0.000 6.974 0.000) 6.974 10.011 ( 0.000 10.595 0.000) 10.595 10.036 ( 0.000 13.888 0.000) 13.888 10.283 ( 0.000 9.969 0.000) 9.969 10.443 ( 0.000 0.128 0.000) 0.128 10.761 ( 0.000 -0.219 0.000) 0.219 10.871 ( 0.000 2.106 0.000) 2.106 10.967 ( 0.000 -18.464 0.000) 18.464 11.106 ( 0.000 7.916 0.000) 7.916 11.318 ( 0.000 9.698 0.000) 9.698 11.378 ( 0.000 -8.735 0.000) 8.735 12.072 ( 0.000 20.425 0.000) 20.425 12.163 ( 0.000 -1.319 0.000) 1.319 12.573 ( 0.000 10.835 0.000) 10.835 12.828 ( 0.000 6.756 0.000) 6.756 13.220 ( 0.000 -2.821 0.000) 2.821 13.462 ( 0.000 -6.068 0.000) 6.068 13.808 ( 0.000 3.113 0.000) 3.113 14.083 ( 0.000 -8.999 0.000) 8.999 14.373 ( 0.000 -7.449 0.000) 7.449 14.841 ( 0.000 10.889 0.000) 10.889 15.620 ( 0.000 -12.408 0.000) 12.408 15.838 ( 0.000 -11.965 0.000) 11.965 16.410 ( 0.000 6.255 0.000) 6.255 16.724 ( 0.000 -1.712 0.000) 1.712 17.206 ( 0.000 -3.433 0.000) 3.433 18.382 ( 0.000 -0.571 0.000) 0.571 18.427 ( 0.000 0.162 0.000) 0.162 18.708 ( 0.000 3.585 0.000) 3.585 19.653 ( 0.000 -4.237 0.000) 4.237 19.900 ( 0.000 5.846 0.000) 5.846 20.551 ( 0.000 0.669 0.000) 0.669 20.602 ( 0.000 2.388 0.000) 2.388 20.690 ( 0.000 0.326 0.000) 0.326 21.221 ( 0.000 -4.693 0.000) 4.693 21.471 ( 0.000 7.775 0.000) 7.775 21.807 ( 0.000 -0.081 0.000) 0.081 21.975 ( 0.000 5.307 0.000) 5.307 22.688 ( 0.000 0.758 0.000) 0.758 22.911 ( 0.000 -0.788 0.000) 0.788 22.933 ( 0.000 0.013 0.000) 0.013 22.956 ( 0.000 0.053 0.000) 0.053 23.222 ( 0.000 -0.481 0.000) 0.481 23.254 ( 0.000 1.291 0.000) 1.291 24.463 ( 0.000 -0.274 0.000) 0.274 25.234 ( 0.000 0.493 0.000) 0.493 25.313 ( 0.000 -0.431 0.000) 0.431 25.319 ( 0.000 -2.742 0.000) 2.742 26.223 ( 0.000 -9.055 0.000) 9.055 26.350 ( 0.000 2.091 0.000) 2.091 26.596 ( 0.000 -2.974 0.000) 2.974 27.617 ( 0.000 2.230 0.000) 2.230 28.832 ( 0.000 -9.397 0.000) 9.397 29.306 ( 0.000 -0.202 0.000) 0.202 29.326 ( 0.000 -0.410 0.000) 0.410 30.018 ( 0.000 14.469 0.000) 14.469 31.841 ( 0.000 -0.007 0.000) 0.007 32.028 ( 0.000 -1.000 0.000) 1.000 32.805 ( 0.000 -1.151 0.000) 1.151 33.730 ( 0.000 3.803 0.000) 3.803 34.364 ( 0.000 -2.449 0.000) 2.449 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 23.966 26.500 0.000) 35.729 1.357 ( 28.192 30.364 0.000) 41.433 2.053 ( 41.037 42.331 0.000) 58.957 2.285 ( 3.345 -6.441 0.000) 7.258 2.440 ( -0.268 2.257 0.000) 2.273 2.579 ( 5.543 2.334 0.000) 6.014 3.057 ( -1.847 3.897 0.000) 4.313 3.298 ( 7.656 -0.656 0.000) 7.684 3.434 ( -0.751 3.187 0.000) 3.274 3.488 ( 1.827 1.204 0.000) 2.188 3.852 ( -1.137 -1.114 0.000) 1.592 3.986 ( 1.711 -0.389 0.000) 1.754 4.128 ( 9.737 6.084 0.000) 11.481 4.424 ( 36.200 -5.540 0.000) 36.621 4.766 ( 12.575 1.954 0.000) 12.726 5.199 ( -3.260 14.632 0.000) 14.991 5.482 ( 6.893 17.409 0.000) 18.724 6.157 ( 2.946 -8.873 0.000) 9.349 6.458 ( 9.872 5.452 0.000) 11.278 6.599 ( 0.747 -20.453 0.000) 20.467 7.272 ( 20.362 -4.033 0.000) 20.758 7.545 ( 17.353 -8.636 0.000) 19.383 7.851 ( 4.749 -35.349 0.000) 35.667 8.010 ( 19.090 -10.168 0.000) 21.629 8.338 ( -0.341 0.122 0.000) 0.362 8.426 ( 2.540 -20.859 0.000) 21.014 9.015 ( 0.325 -10.621 0.000) 10.626 9.149 ( 6.765 -9.706 0.000) 11.831 9.547 ( 4.643 -1.787 0.000) 4.975 9.650 ( 9.147 -5.253 0.000) 10.548 9.926 ( -3.570 22.845 0.000) 23.122 10.132 ( 7.885 2.017 0.000) 8.139 10.237 ( -5.299 12.333 0.000) 13.423 10.565 ( 9.571 5.362 0.000) 10.971 10.711 ( -3.909 3.258 0.000) 5.088 10.861 ( -1.244 -0.545 0.000) 1.358 10.978 ( 3.475 -12.815 0.000) 13.278 11.203 ( 13.265 -1.749 0.000) 13.380 11.422 ( 7.085 7.598 0.000) 10.389 11.483 ( 5.595 -7.373 0.000) 9.255 11.921 ( -12.397 2.018 0.000) 12.560 12.122 ( 2.822 18.643 0.000) 18.855 12.695 ( -0.196 19.246 0.000) 19.247 12.833 ( 12.036 -0.479 0.000) 12.046 13.263 ( -5.696 -6.085 0.000) 8.335 13.518 ( 15.510 -3.970 0.000) 16.010 13.844 ( -1.162 6.533 0.000) 6.636 14.194 ( 0.373 -5.088 0.000) 5.102 14.439 ( 9.742 -14.502 0.000) 17.471 14.567 ( -18.975 18.459 0.000) 26.473 15.433 ( -22.397 -1.198 0.000) 22.429 15.725 ( -2.736 -17.607 0.000) 17.819 16.274 ( -5.313 -1.043 0.000) 5.414 16.982 ( 13.109 -3.312 0.000) 13.521 17.210 ( 2.979 -0.100 0.000) 2.981 18.165 ( -17.319 0.221 0.000) 17.320 18.331 ( -10.258 -1.063 0.000) 10.313 18.599 ( -10.194 2.710 0.000) 10.548 19.335 ( -24.479 -9.827 0.000) 26.377 19.724 ( -18.851 5.824 0.000) 19.730 20.394 ( -7.864 -0.083 0.000) 7.865 20.681 ( 0.605 8.832 0.000) 8.853 20.907 ( 4.276 -4.188 0.000) 5.985 21.225 ( 5.337 -2.293 0.000) 5.808 21.494 ( 3.308 7.229 0.000) 7.950 21.850 ( 4.193 0.654 0.000) 4.244 21.918 ( 0.589 9.515 0.000) 9.533 22.672 ( -0.960 0.336 0.000) 1.017 22.917 ( -0.897 -0.169 0.000) 0.912 22.956 ( 2.288 -0.497 0.000) 2.341 23.226 ( 9.827 -0.856 0.000) 9.864 23.305 ( 6.065 0.992 0.000) 6.146 24.085 ( 61.998 -48.781 0.000) 78.888 24.432 ( -2.421 -0.602 0.000) 2.495 25.056 ( -9.570 -0.497 0.000) 9.583 25.445 ( 12.884 -0.929 0.000) 12.918 25.535 ( 13.007 -2.651 0.000) 13.275 26.253 ( 2.345 -8.467 0.000) 8.785 26.366 ( 2.372 0.091 0.000) 2.374 26.588 ( -0.035 -4.196 0.000) 4.196 27.621 ( 0.539 2.206 0.000) 2.271 28.594 ( -15.805 3.176 0.000) 16.121 29.346 ( 2.565 0.214 0.000) 2.574 29.543 ( 14.609 -8.735 0.000) 17.021 30.030 ( 1.743 11.548 0.000) 11.679 31.765 ( -24.679 17.367 0.000) 30.177 31.860 ( 1.999 -0.010 0.000) 2.000 32.742 ( -6.064 0.996 0.000) 6.145 33.529 ( -34.742 28.534 0.000) 44.958 33.724 ( -10.422 11.256 0.000) 15.340 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 19.111 8.856 0.000) 21.063 1.881 ( 26.189 22.458 0.000) 34.500 2.320 ( 0.876 -2.162 0.000) 2.333 2.514 ( 7.297 -1.982 0.000) 7.561 2.681 ( 5.760 2.190 0.000) 6.162 2.724 ( 21.190 12.223 0.000) 24.462 3.045 ( 1.069 1.538 0.000) 1.873 3.435 ( 3.318 2.501 0.000) 4.156 3.477 ( 6.600 3.098 0.000) 7.291 3.509 ( 2.471 5.042 0.000) 5.615 3.830 ( -0.955 -0.761 0.000) 1.221 4.031 ( 2.569 -1.246 0.000) 2.855 4.401 ( 19.302 6.566 0.000) 20.388 4.922 ( 10.371 2.593 0.000) 10.690 5.056 ( 17.374 1.111 0.000) 17.410 5.544 ( 19.670 15.921 0.000) 25.306 5.821 ( 44.554 14.506 0.000) 46.856 6.127 ( -3.874 -3.175 0.000) 5.009 6.485 ( -2.322 2.140 0.000) 3.158 6.847 ( 16.330 -5.792 0.000) 17.327 7.613 ( 12.051 -10.340 0.000) 15.879 7.771 ( 7.207 -16.142 0.000) 17.678 8.018 ( 10.656 -28.293 0.000) 30.234 8.301 ( 2.233 -5.294 0.000) 5.745 8.501 ( 23.011 -7.353 0.000) 24.157 8.530 ( 12.158 -17.051 0.000) 20.942 9.027 ( 1.606 -12.457 0.000) 12.560 9.325 ( 10.855 -5.827 0.000) 12.320 9.639 ( 2.717 -6.003 0.000) 6.590 9.822 ( 8.723 -4.334 0.000) 9.740 9.960 ( 5.763 7.129 0.000) 9.167 10.099 ( -8.308 18.064 0.000) 19.883 10.363 ( 15.486 6.298 0.000) 16.718 10.514 ( -11.178 3.541 0.000) 11.725 10.767 ( 5.457 13.439 0.000) 14.505 10.961 ( 13.655 0.223 0.000) 13.656 11.128 ( 11.625 -10.543 0.000) 15.694 11.330 ( -12.092 -4.819 0.000) 13.017 11.550 ( 12.650 5.096 0.000) 13.638 11.636 ( 17.731 -6.772 0.000) 18.980 11.925 ( 10.269 -0.973 0.000) 10.315 12.251 ( 11.407 12.138 0.000) 16.657 12.723 ( 4.736 20.905 0.000) 21.435 13.091 ( 3.756 4.045 0.000) 5.520 13.112 ( -2.148 0.120 0.000) 2.151 13.766 ( -3.400 6.720 0.000) 7.531 13.829 ( 9.851 -0.647 0.000) 9.873 14.067 ( -11.820 -5.113 0.000) 12.879 14.217 ( -12.443 18.451 0.000) 22.254 14.666 ( 7.245 -15.343 0.000) 16.968 14.978 ( -17.737 0.942 0.000) 17.762 15.749 ( 3.609 -18.196 0.000) 18.550 16.213 ( -2.064 -2.599 0.000) 3.319 17.051 ( -1.842 -7.877 0.000) 8.090 17.348 ( 5.177 -1.985 0.000) 5.544 17.785 ( -19.969 1.015 0.000) 19.995 18.055 ( -19.756 -2.045 0.000) 19.861 18.337 ( -16.242 0.184 0.000) 16.243 18.815 ( -27.206 -12.064 0.000) 29.761 19.222 ( -30.721 3.150 0.000) 30.882 20.281 ( -4.477 2.809 0.000) 5.285 20.582 ( -10.136 5.517 0.000) 11.540 20.882 ( -1.013 3.650 0.000) 3.788 21.263 ( -4.522 3.802 0.000) 5.908 21.691 ( 15.805 3.454 0.000) 16.178 21.965 ( 7.705 4.127 0.000) 8.741 22.013 ( 7.978 4.111 0.000) 8.975 22.657 ( -0.506 0.337 0.000) 0.608 22.870 ( -4.113 -0.085 0.000) 4.114 22.968 ( -1.545 0.201 0.000) 1.558 23.463 ( 14.618 -0.284 0.000) 14.621 23.491 ( 12.734 0.356 0.000) 12.739 24.369 ( -3.304 -0.427 0.000) 3.332 24.745 ( -0.413 -9.183 0.000) 9.192 25.084 ( 21.276 -23.263 0.000) 31.525 25.728 ( 14.531 -0.678 0.000) 14.547 25.770 ( 11.153 -6.192 0.000) 12.757 26.259 ( -1.865 -2.696 0.000) 3.278 26.486 ( 9.603 -9.521 0.000) 13.523 26.622 ( 3.642 -8.288 0.000) 9.053 27.644 ( 2.043 2.142 0.000) 2.960 28.326 ( -12.105 4.984 0.000) 13.091 29.413 ( 4.234 2.790 0.000) 5.071 29.731 ( 4.318 2.738 0.000) 5.113 30.115 ( 7.559 0.081 0.000) 7.560 31.287 ( -21.646 25.351 0.000) 33.335 31.919 ( 4.081 -0.057 0.000) 4.082 32.607 ( -7.473 1.421 0.000) 7.607 33.137 ( -8.908 16.218 0.000) 18.503 33.583 ( -7.867 4.133 0.000) 8.887 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 11.314 1.375 0.000) 11.398 2.199 ( 2.488 1.547 0.000) 2.930 2.452 ( 16.222 10.452 0.000) 19.298 2.648 ( 5.677 -2.275 0.000) 6.116 2.749 ( 1.879 3.043 0.000) 3.577 2.927 ( 2.262 2.903 0.000) 3.680 3.108 ( 5.392 0.034 0.000) 5.392 3.449 ( -3.160 2.800 0.000) 4.222 3.531 ( 5.228 0.276 0.000) 5.236 3.672 ( 6.562 4.573 0.000) 7.999 3.837 ( 2.856 1.242 0.000) 3.115 4.060 ( -0.073 -1.914 0.000) 1.916 4.849 ( 25.852 2.864 0.000) 26.010 5.152 ( 15.747 4.733 0.000) 16.443 5.351 ( 12.654 3.936 0.000) 13.252 5.779 ( 9.645 17.088 0.000) 19.622 6.001 ( -8.290 -4.451 0.000) 9.409 6.426 ( -4.887 10.253 0.000) 11.358 6.721 ( 29.076 9.649 0.000) 30.635 7.042 ( 1.801 3.586 0.000) 4.013 7.753 ( 10.449 -13.370 0.000) 16.968 7.939 ( 12.559 -16.600 0.000) 20.816 8.223 ( 10.867 -2.927 0.000) 11.254 8.433 ( 11.009 -25.896 0.000) 28.139 8.726 ( 6.080 -6.064 0.000) 8.587 8.909 ( 14.162 -12.777 0.000) 19.074 9.180 ( 15.952 -9.892 0.000) 18.770 9.538 ( 10.601 -6.480 0.000) 12.424 9.601 ( -4.493 -8.149 0.000) 9.306 9.881 ( -12.808 15.929 0.000) 20.440 9.986 ( 4.558 -11.827 0.000) 12.675 10.098 ( 10.177 3.562 0.000) 10.783 10.349 ( -3.175 -7.445 0.000) 8.094 10.649 ( 11.939 12.086 0.000) 16.988 10.925 ( 10.079 13.917 0.000) 17.183 11.076 ( -6.343 6.673 0.000) 9.207 11.353 ( 9.511 1.221 0.000) 9.589 11.372 ( 17.333 4.345 0.000) 17.870 11.676 ( 6.502 -5.312 0.000) 8.396 11.904 ( 7.285 -19.510 0.000) 20.826 12.357 ( 27.081 2.427 0.000) 27.189 12.457 ( 0.386 3.553 0.000) 3.574 12.682 ( -2.755 7.558 0.000) 8.045 13.025 ( 7.869 25.036 0.000) 26.244 13.334 ( 12.101 13.078 0.000) 17.818 13.586 ( -12.468 11.835 0.000) 17.191 13.750 ( -17.169 -2.644 0.000) 17.371 13.932 ( -6.264 1.120 0.000) 6.363 14.130 ( 5.542 2.689 0.000) 6.160 14.699 ( -0.475 -9.628 0.000) 9.639 14.918 ( 8.432 -2.965 0.000) 8.938 15.834 ( 4.052 -15.343 0.000) 15.870 16.168 ( -2.980 -0.926 0.000) 3.121 16.988 ( -6.673 -10.690 0.000) 12.602 17.204 ( -18.876 -8.040 0.000) 20.517 17.522 ( -16.656 -2.865 0.000) 16.901 17.577 ( -15.913 -0.747 0.000) 15.931 18.014 ( -17.333 -0.709 0.000) 17.347 18.401 ( -14.260 -7.603 0.000) 16.160 18.664 ( -24.489 0.609 0.000) 24.497 20.212 ( -2.580 4.763 0.000) 5.417 20.379 ( -9.490 2.957 0.000) 9.939 20.887 ( 1.153 7.633 0.000) 7.720 21.135 ( -7.408 6.740 0.000) 10.016 21.982 ( 13.288 2.066 0.000) 13.448 22.115 ( 7.007 4.739 0.000) 8.459 22.191 ( 9.837 1.643 0.000) 9.973 22.659 ( 0.922 0.524 0.000) 1.060 22.754 ( -7.963 -0.206 0.000) 7.966 22.904 ( -4.650 1.031 0.000) 4.763 23.747 ( 13.958 -0.318 0.000) 13.962 23.779 ( 16.719 0.094 0.000) 16.719 24.294 ( -4.786 -0.424 0.000) 4.805 24.599 ( -10.196 -0.466 0.000) 10.207 25.478 ( 17.256 -11.980 0.000) 21.007 25.911 ( 5.351 -4.886 0.000) 7.246 25.989 ( 9.656 -2.301 0.000) 9.927 26.203 ( -3.336 -0.821 0.000) 3.436 26.670 ( 8.084 -15.412 0.000) 17.403 26.718 ( 5.847 -12.106 0.000) 13.444 27.704 ( 4.292 2.067 0.000) 4.764 28.118 ( -9.824 3.351 0.000) 10.380 29.502 ( 4.902 6.517 0.000) 8.155 29.743 ( -1.936 11.933 0.000) 12.089 30.296 ( 10.429 -4.266 0.000) 11.268 30.949 ( -14.338 15.432 0.000) 21.065 32.016 ( 5.981 -0.088 0.000) 5.982 32.458 ( -8.096 0.268 0.000) 8.100 33.064 ( 0.157 7.609 0.000) 7.611 33.418 ( -8.973 2.916 0.000) 9.435 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 6.912 -0.927 0.000) 6.974 2.163 ( -4.049 -1.487 0.000) 4.313 2.714 ( 5.303 2.162 0.000) 5.727 2.740 ( 4.726 2.669 0.000) 5.428 2.767 ( 3.231 4.121 0.000) 5.236 2.895 ( -4.717 3.717 0.000) 6.006 3.232 ( 6.980 0.556 0.000) 7.002 3.359 ( -5.898 1.750 0.000) 6.152 3.638 ( 5.058 0.286 0.000) 5.066 3.704 ( -1.621 0.705 0.000) 1.767 3.936 ( 5.605 0.492 0.000) 5.627 4.024 ( -3.414 -1.484 0.000) 3.723 5.313 ( 19.867 -2.326 0.000) 20.003 5.458 ( 8.653 -0.986 0.000) 8.709 5.548 ( 10.495 4.430 0.000) 11.391 5.795 ( -12.957 -2.308 0.000) 13.161 5.958 ( 10.949 20.458 0.000) 23.204 6.239 ( -14.876 16.560 0.000) 22.261 6.921 ( 1.217 5.223 0.000) 5.363 6.965 ( -4.925 4.499 0.000) 6.671 8.056 ( 16.261 -13.602 0.000) 21.199 8.190 ( 7.596 -3.484 0.000) 8.357 8.378 ( 3.975 -19.305 0.000) 19.710 8.501 ( -5.856 -15.946 0.000) 16.987 8.858 ( 8.617 -2.712 0.000) 9.034 9.005 ( -4.327 -2.599 0.000) 5.047 9.439 ( 6.126 -3.882 0.000) 7.253 9.561 ( -6.429 -9.992 0.000) 11.882 9.662 ( 13.399 -0.142 0.000) 13.399 9.837 ( -0.949 -2.251 0.000) 2.443 10.192 ( 27.755 -10.486 0.000) 29.670 10.270 ( 5.960 -2.578 0.000) 6.494 10.338 ( 1.451 -11.179 0.000) 11.273 10.814 ( 0.015 12.765 0.000) 12.765 10.898 ( -15.983 2.928 0.000) 16.249 10.962 ( -6.029 10.814 0.000) 12.381 11.455 ( 2.918 7.539 0.000) 8.084 11.507 ( -1.350 12.518 0.000) 12.590 11.838 ( 8.670 -15.778 0.000) 18.003 12.035 ( -8.845 -10.964 0.000) 14.087 12.281 ( 19.937 0.902 0.000) 19.957 12.658 ( -6.279 3.340 0.000) 7.112 13.057 ( 22.978 15.425 0.000) 27.675 13.173 ( 5.986 12.569 0.000) 13.922 13.373 ( -7.140 17.956 0.000) 19.324 13.410 ( -4.444 6.473 0.000) 7.852 13.550 ( -0.326 7.377 0.000) 7.384 13.717 ( -13.425 0.258 0.000) 13.428 14.367 ( 16.046 -2.002 0.000) 16.170 14.622 ( -8.739 -4.616 0.000) 9.883 15.251 ( 25.759 -3.807 0.000) 26.039 15.751 ( -18.200 -4.448 0.000) 18.736 16.179 ( 8.249 -8.299 0.000) 11.701 16.530 ( -28.840 -11.363 0.000) 30.997 17.073 ( 2.420 -7.547 0.000) 7.926 17.193 ( -10.376 -7.448 0.000) 12.773 17.519 ( 2.566 -4.260 0.000) 4.974 17.691 ( -14.556 -3.012 0.000) 14.864 18.259 ( -1.446 -2.810 0.000) 3.160 18.336 ( -9.866 -0.377 0.000) 9.873 20.190 ( 0.519 4.620 0.000) 4.649 20.240 ( -4.853 3.503 0.000) 5.985 20.925 ( 2.965 8.188 0.000) 8.708 21.007 ( -5.560 7.933 0.000) 9.687 22.177 ( 6.244 2.477 0.000) 6.717 22.210 ( 2.280 3.774 0.000) 4.409 22.376 ( 9.682 0.517 0.000) 9.696 22.571 ( -10.294 -0.353 0.000) 10.300 22.706 ( 3.904 1.023 0.000) 4.036 22.803 ( -5.595 1.296 0.000) 5.743 23.993 ( 11.299 -0.323 0.000) 11.304 24.096 ( 15.703 0.085 0.000) 15.703 24.176 ( -7.536 -0.451 0.000) 7.550 24.376 ( -13.056 -0.073 0.000) 13.057 25.755 ( 11.797 -4.459 0.000) 12.612 25.922 ( -4.802 -3.523 0.000) 5.955 26.113 ( 3.861 -1.613 0.000) 4.184 26.158 ( -1.402 -1.221 0.000) 1.859 26.783 ( 3.734 -16.658 0.000) 17.071 26.803 ( 1.931 -15.394 0.000) 15.515 27.807 ( 6.347 2.049 0.000) 6.670 27.946 ( -8.067 2.340 0.000) 8.399 29.597 ( 4.801 10.330 0.000) 11.392 29.682 ( -4.000 12.776 0.000) 13.388 30.499 ( 10.614 -0.520 0.000) 10.627 30.708 ( -11.309 6.127 0.000) 12.862 32.146 ( 7.476 -0.111 0.000) 7.477 32.299 ( -8.254 -0.081 0.000) 8.255 33.119 ( 5.202 4.068 0.000) 6.604 33.251 ( -8.115 2.765 0.000) 8.573 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 20.092 0.000) 20.092 1.653 ( 0.000 34.429 0.000) 34.429 2.095 ( 0.000 -6.787 0.000) 6.787 2.488 ( 0.000 0.078 0.000) 0.078 2.523 ( 0.000 14.933 0.000) 14.933 2.925 ( 0.000 38.658 0.000) 38.658 3.143 ( 0.000 -4.813 0.000) 4.813 3.204 ( 0.000 6.114 0.000) 6.114 3.424 ( 0.000 0.337 0.000) 0.337 3.580 ( 0.000 6.315 0.000) 6.315 3.842 ( 0.000 -1.970 0.000) 1.970 3.939 ( 0.000 1.674 0.000) 1.674 3.992 ( 0.000 1.813 0.000) 1.813 4.283 ( 0.000 11.094 0.000) 11.094 4.757 ( 0.000 10.598 0.000) 10.598 5.446 ( 0.000 -11.983 0.000) 11.983 5.627 ( 0.000 11.242 0.000) 11.242 6.012 ( 0.000 17.469 0.000) 17.469 6.126 ( 0.000 -13.588 0.000) 13.588 6.582 ( 0.000 10.550 0.000) 10.550 6.772 ( 0.000 -27.571 0.000) 27.571 7.183 ( 0.000 -29.631 0.000) 29.631 7.439 ( 0.000 17.685 0.000) 17.685 7.701 ( 0.000 -17.312 0.000) 17.312 7.978 ( 0.000 -1.264 0.000) 1.264 8.370 ( 0.000 -2.405 0.000) 2.405 8.725 ( 0.000 -15.401 0.000) 15.401 8.887 ( 0.000 -6.506 0.000) 6.506 9.140 ( 0.000 -20.663 0.000) 20.663 9.361 ( 0.000 -29.837 0.000) 29.837 9.867 ( 0.000 -13.581 0.000) 13.581 10.291 ( 0.000 8.900 0.000) 8.900 10.468 ( 0.000 6.856 0.000) 6.856 10.496 ( 0.000 -12.045 0.000) 12.045 10.770 ( 0.000 1.852 0.000) 1.852 10.823 ( 0.000 16.005 0.000) 16.005 10.966 ( 0.000 6.601 0.000) 6.601 11.330 ( 0.000 13.382 0.000) 13.382 11.514 ( 0.000 17.251 0.000) 17.251 11.546 ( 0.000 10.984 0.000) 10.984 12.127 ( 0.000 -2.018 0.000) 2.018 12.488 ( 0.000 17.005 0.000) 17.005 12.647 ( 0.000 0.544 0.000) 0.544 13.061 ( 0.000 12.347 0.000) 12.347 13.142 ( 0.000 -4.400 0.000) 4.400 13.298 ( 0.000 -9.196 0.000) 9.196 13.625 ( 0.000 -15.973 0.000) 15.973 14.045 ( 0.000 -3.536 0.000) 3.536 14.324 ( 0.000 8.662 0.000) 8.662 15.052 ( 0.000 5.385 0.000) 5.385 15.262 ( 0.000 -14.901 0.000) 14.901 15.658 ( 0.000 -8.151 0.000) 8.151 16.394 ( 0.000 -8.308 0.000) 8.308 16.682 ( 0.000 -2.157 0.000) 2.157 17.251 ( 0.000 9.629 0.000) 9.629 18.270 ( 0.000 -11.193 0.000) 11.193 18.431 ( 0.000 0.195 0.000) 0.195 18.766 ( 0.000 1.526 0.000) 1.526 19.603 ( 0.000 0.846 0.000) 0.846 20.053 ( 0.000 7.205 0.000) 7.205 20.566 ( 0.000 0.608 0.000) 0.608 20.689 ( 0.000 6.060 0.000) 6.060 20.700 ( 0.000 0.662 0.000) 0.662 21.119 ( 0.000 -5.226 0.000) 5.226 21.612 ( 0.000 5.415 0.000) 5.415 21.805 ( 0.000 -0.089 0.000) 0.089 22.097 ( 0.000 5.669 0.000) 5.669 22.713 ( 0.000 1.610 0.000) 1.610 22.892 ( 0.000 -1.012 0.000) 1.012 22.934 ( 0.000 0.035 0.000) 0.035 22.957 ( 0.000 0.042 0.000) 0.042 23.211 ( 0.000 -0.538 0.000) 0.538 23.285 ( 0.000 1.520 0.000) 1.520 24.457 ( 0.000 -0.281 0.000) 0.281 25.243 ( 0.000 0.249 0.000) 0.249 25.249 ( 0.000 -3.695 0.000) 3.695 25.306 ( 0.000 -0.160 0.000) 0.160 26.029 ( 0.000 -8.443 0.000) 8.443 26.404 ( 0.000 2.808 0.000) 2.808 26.526 ( 0.000 -3.406 0.000) 3.406 27.656 ( 0.000 1.383 0.000) 1.383 28.628 ( 0.000 -9.441 0.000) 9.441 29.302 ( 0.000 -0.198 0.000) 0.198 29.315 ( 0.000 -0.572 0.000) 0.572 30.330 ( 0.000 14.204 0.000) 14.204 31.838 ( 0.000 -0.321 0.000) 0.321 32.003 ( 0.000 -1.206 0.000) 1.206 32.778 ( 0.000 -1.366 0.000) 1.366 33.834 ( 0.000 5.997 0.000) 5.997 34.292 ( 0.000 -4.423 0.000) 4.423 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 6.208 15.377 0.000) 16.583 1.908 ( 20.410 24.578 0.000) 31.948 2.148 ( 4.509 -6.790 0.000) 8.151 2.463 ( -0.000 3.114 0.000) 3.114 2.616 ( 7.130 7.811 0.000) 10.576 2.936 ( 1.578 22.606 0.000) 22.661 3.131 ( -4.267 2.642 0.000) 5.019 3.320 ( 14.400 7.498 0.000) 16.235 3.487 ( 3.504 2.591 0.000) 4.358 3.579 ( 1.266 6.053 0.000) 6.184 3.829 ( -0.654 -1.352 0.000) 1.502 3.976 ( 0.299 -0.529 0.000) 0.607 4.334 ( 15.030 13.772 0.000) 20.386 4.445 ( 33.683 5.813 0.000) 34.181 4.904 ( 14.915 10.834 0.000) 18.434 5.421 ( 5.208 0.147 0.000) 5.210 5.751 ( 8.131 14.423 0.000) 16.557 6.079 ( 5.282 -22.554 0.000) 23.164 6.224 ( 10.487 17.382 0.000) 20.300 6.619 ( 4.480 7.748 0.000) 8.950 6.957 ( 17.204 -26.555 0.000) 31.641 7.145 ( -2.091 -31.460 0.000) 31.530 7.554 ( 11.125 14.178 0.000) 18.022 7.847 ( 11.041 -23.813 0.000) 26.248 8.135 ( 16.524 6.080 0.000) 17.607 8.342 ( -2.645 -0.700 0.000) 2.736 8.708 ( -0.704 -16.197 0.000) 16.212 8.971 ( 8.207 -7.419 0.000) 11.063 9.265 ( 10.710 -20.213 0.000) 22.875 9.362 ( 0.492 -27.097 0.000) 27.102 9.927 ( 5.921 -13.419 0.000) 14.667 10.322 ( -6.777 0.172 0.000) 6.779 10.421 ( 3.285 4.166 0.000) 5.306 10.533 ( 6.357 2.080 0.000) 6.689 10.792 ( 2.251 4.936 0.000) 5.425 10.896 ( 5.329 7.008 0.000) 8.804 11.033 ( 9.853 6.034 0.000) 11.554 11.295 ( -3.086 19.973 0.000) 20.210 11.543 ( -4.145 7.291 0.000) 8.387 11.623 ( 7.157 9.565 0.000) 11.946 11.953 ( -4.703 1.800 0.000) 5.036 12.477 ( -4.284 13.465 0.000) 14.130 12.829 ( 17.425 0.618 0.000) 17.436 13.032 ( 0.521 12.634 0.000) 12.645 13.115 ( -4.944 -6.604 0.000) 8.250 13.441 ( 17.445 -3.352 0.000) 17.764 13.892 ( 18.418 -14.552 0.000) 23.473 14.017 ( -2.900 -3.527 0.000) 4.566 14.280 ( -4.096 7.690 0.000) 8.713 14.937 ( -12.439 14.014 0.000) 18.738 15.246 ( -0.503 -17.584 0.000) 17.592 15.474 ( -18.616 -3.801 0.000) 19.000 16.132 ( -12.638 -12.584 0.000) 17.835 16.856 ( 6.165 -7.220 0.000) 9.494 17.311 ( 5.325 9.736 0.000) 11.097 18.139 ( -13.359 -4.478 0.000) 14.090 18.303 ( -10.915 -2.751 0.000) 11.256 18.664 ( -10.595 2.660 0.000) 10.924 19.184 ( -33.389 -2.782 0.000) 33.505 19.818 ( -23.341 2.716 0.000) 23.498 20.450 ( -4.972 4.713 0.000) 6.850 20.790 ( -0.971 -0.832 0.000) 1.279 20.902 ( 10.882 6.107 0.000) 12.478 21.197 ( 10.438 -1.061 0.000) 10.492 21.628 ( 2.833 5.609 0.000) 6.284 21.847 ( 4.391 -0.411 0.000) 4.410 22.092 ( 0.730 6.484 0.000) 6.525 22.689 ( -1.293 1.256 0.000) 1.802 22.911 ( -0.096 -0.407 0.000) 0.419 22.946 ( 2.052 -0.416 0.000) 2.094 23.203 ( 12.552 -1.268 0.000) 12.615 23.330 ( 5.503 1.258 0.000) 5.645 23.544 ( 38.671 -12.218 0.000) 40.555 24.423 ( -2.897 -0.386 0.000) 2.923 25.046 ( -10.287 -0.634 0.000) 10.306 25.420 ( 13.596 -1.314 0.000) 13.660 25.490 ( 11.060 -1.902 0.000) 11.222 26.056 ( 2.785 -8.839 0.000) 9.267 26.398 ( -0.508 2.093 0.000) 2.154 26.506 ( -1.645 -3.619 0.000) 3.976 27.660 ( 0.510 1.393 0.000) 1.483 28.519 ( -9.452 -6.528 0.000) 11.487 29.350 ( 4.198 0.072 0.000) 4.198 29.457 ( 13.383 -1.834 0.000) 13.508 30.309 ( -2.141 13.391 0.000) 13.561 31.857 ( 1.752 -0.430 0.000) 1.804 31.896 ( -10.836 1.484 0.000) 10.937 32.734 ( -4.411 -0.929 0.000) 4.507 33.744 ( -10.332 5.537 0.000) 11.722 34.012 ( -21.679 7.551 0.000) 22.957 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 7.891 6.845 0.000) 10.446 2.196 ( 1.934 -0.092 0.000) 1.936 2.321 ( 19.272 10.137 0.000) 21.775 2.512 ( 4.967 1.061 0.000) 5.079 2.759 ( 6.789 6.159 0.000) 9.166 2.972 ( 1.659 8.071 0.000) 8.240 3.073 ( -1.109 0.867 0.000) 1.407 3.527 ( 1.950 5.697 0.000) 6.021 3.541 ( 3.393 4.706 0.000) 5.801 3.653 ( 6.961 6.466 0.000) 9.501 3.830 ( 1.487 1.020 0.000) 1.803 3.988 ( 1.075 -2.813 0.000) 3.011 4.610 ( 17.888 13.528 0.000) 22.427 4.998 ( 15.607 8.696 0.000) 17.866 5.262 ( 18.424 14.481 0.000) 23.434 5.802 ( 10.709 -7.249 0.000) 12.932 6.000 ( 27.210 22.076 0.000) 35.039 6.293 ( 27.204 -2.518 0.000) 27.321 6.451 ( 11.773 7.418 0.000) 13.915 6.785 ( 15.031 3.418 0.000) 15.415 7.109 ( -0.078 -35.564 0.000) 35.564 7.316 ( 14.413 -15.833 0.000) 21.411 7.818 ( 15.275 4.192 0.000) 15.840 8.076 ( 11.821 -20.124 0.000) 23.339 8.285 ( 0.842 -3.392 0.000) 3.495 8.545 ( 20.333 8.917 0.000) 22.203 8.739 ( 6.064 -13.848 0.000) 15.117 9.177 ( 11.319 -7.004 0.000) 13.311 9.339 ( 0.900 -22.363 0.000) 22.381 9.528 ( 12.724 -19.903 0.000) 23.623 9.989 ( -1.760 -3.667 0.000) 4.068 10.284 ( 2.698 -4.579 0.000) 5.315 10.393 ( -0.808 -12.612 0.000) 12.638 10.613 ( -8.288 8.709 0.000) 12.022 10.891 ( 4.175 8.547 0.000) 9.512 11.017 ( 8.489 2.999 0.000) 9.003 11.195 ( 5.818 -4.421 0.000) 7.307 11.341 ( 10.732 27.533 0.000) 29.551 11.503 ( 11.283 -0.823 0.000) 11.313 11.794 ( 10.630 8.262 0.000) 13.463 12.039 ( 7.898 9.529 0.000) 12.377 12.441 ( 3.159 6.477 0.000) 7.206 12.935 ( -7.065 0.986 0.000) 7.134 13.196 ( 8.756 9.547 0.000) 12.954 13.237 ( 23.259 6.254 0.000) 24.085 13.759 ( 13.010 -5.614 0.000) 14.170 13.906 ( -9.446 -8.727 0.000) 12.860 14.065 ( -4.750 21.334 0.000) 21.856 14.299 ( 8.197 -16.399 0.000) 18.334 14.608 ( -18.868 14.667 0.000) 23.898 15.033 ( -17.246 5.197 0.000) 18.012 15.329 ( 5.050 -21.146 0.000) 21.740 16.017 ( -0.974 -16.502 0.000) 16.530 16.876 ( -2.414 -7.923 0.000) 8.282 17.328 ( -7.720 0.158 0.000) 7.721 17.808 ( -17.494 1.249 0.000) 17.539 18.086 ( -14.181 2.940 0.000) 14.482 18.329 ( -24.480 -0.214 0.000) 24.481 18.569 ( -25.368 -9.656 0.000) 27.144 19.235 ( -34.494 -2.150 0.000) 34.561 20.385 ( -2.711 6.060 0.000) 6.639 20.655 ( -9.892 2.584 0.000) 10.224 21.035 ( 3.965 9.555 0.000) 10.345 21.330 ( 0.363 1.995 0.000) 2.028 21.787 ( 12.758 5.278 0.000) 13.806 21.975 ( 8.928 -0.637 0.000) 8.950 22.153 ( 5.372 5.887 0.000) 7.969 22.672 ( -0.335 1.184 0.000) 1.231 22.868 ( -4.234 -0.178 0.000) 4.237 22.975 ( -0.110 0.483 0.000) 0.495 23.458 ( 14.879 -0.186 0.000) 14.880 23.498 ( 11.846 0.281 0.000) 11.849 24.349 ( 14.121 -7.479 0.000) 15.979 24.378 ( 21.446 -11.945 0.000) 24.548 24.872 ( -6.301 -2.772 0.000) 6.884 25.680 ( 8.503 -3.074 0.000) 9.042 25.716 ( 15.421 -0.714 0.000) 15.437 26.126 ( 3.817 -8.592 0.000) 9.402 26.390 ( -0.039 -1.090 0.000) 1.091 26.482 ( -0.604 -5.294 0.000) 5.328 27.682 ( 1.907 1.345 0.000) 2.334 28.320 ( -10.580 -3.410 0.000) 11.116 29.463 ( 7.317 1.657 0.000) 7.502 29.756 ( 16.570 0.062 0.000) 16.570 30.253 ( -3.400 10.264 0.000) 10.812 31.597 ( -18.793 7.182 0.000) 20.119 31.916 ( 4.063 -0.222 0.000) 4.069 32.617 ( -7.440 -0.122 0.000) 7.441 33.444 ( -15.834 10.694 0.000) 19.107 33.704 ( -11.754 7.047 0.000) 13.705 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 7.073 1.955 0.000) 7.338 2.187 ( -1.942 -1.756 0.000) 2.618 2.605 ( 7.405 -1.482 0.000) 7.552 2.678 ( 13.071 8.778 0.000) 15.745 2.836 ( 0.936 5.349 0.000) 5.430 2.990 ( -0.079 2.624 0.000) 2.626 3.115 ( 5.733 0.572 0.000) 5.762 3.518 ( -3.913 3.322 0.000) 5.133 3.580 ( 3.870 4.859 0.000) 6.212 3.726 ( 0.687 0.849 0.000) 1.092 3.886 ( 2.788 1.768 0.000) 3.301 4.013 ( 0.809 -2.024 0.000) 2.180 5.004 ( 21.870 11.818 0.000) 24.859 5.253 ( 13.723 7.789 0.000) 15.779 5.552 ( 9.677 11.516 0.000) 15.042 5.874 ( 0.686 -0.194 0.000) 0.713 6.232 ( 6.395 17.754 0.000) 18.870 6.609 ( 3.884 2.829 0.000) 4.805 6.814 ( 12.880 -3.488 0.000) 13.344 7.109 ( 0.251 -21.788 0.000) 21.790 7.267 ( 14.209 1.483 0.000) 14.286 7.733 ( 38.070 -0.254 0.000) 38.071 8.073 ( -7.101 -11.658 0.000) 13.650 8.159 ( 24.428 -2.911 0.000) 24.601 8.567 ( 18.343 -11.387 0.000) 21.590 8.746 ( 8.445 -1.017 0.000) 8.506 9.036 ( 17.184 -2.692 0.000) 17.394 9.257 ( 0.480 -12.478 0.000) 12.487 9.478 ( 10.170 -10.751 0.000) 14.799 9.718 ( 5.258 -14.230 0.000) 15.171 9.956 ( -2.674 -0.695 0.000) 2.763 10.156 ( -15.009 -0.606 0.000) 15.021 10.277 ( -3.472 0.987 0.000) 3.610 10.640 ( 11.499 -26.787 0.000) 29.151 10.879 ( -2.577 -12.408 0.000) 12.673 11.199 ( 5.736 11.664 0.000) 12.998 11.409 ( 7.034 14.584 0.000) 16.192 11.589 ( 22.119 5.887 0.000) 22.889 11.753 ( 6.660 15.417 0.000) 16.794 11.962 ( 5.816 15.967 0.000) 16.993 12.364 ( 20.862 -1.599 0.000) 20.923 12.533 ( 5.682 3.906 0.000) 6.895 12.802 ( -2.523 5.089 0.000) 5.680 13.351 ( 7.611 9.962 0.000) 12.537 13.607 ( -14.195 -5.914 0.000) 15.377 13.730 ( 19.194 12.663 0.000) 22.995 13.862 ( -2.400 1.595 0.000) 2.882 13.963 ( -5.047 13.202 0.000) 14.134 14.175 ( -10.592 -0.364 0.000) 10.598 14.546 ( 4.300 -2.739 0.000) 5.099 14.885 ( 3.495 3.502 0.000) 4.948 15.481 ( 10.154 -18.142 0.000) 20.791 16.029 ( 0.208 -12.933 0.000) 12.935 16.778 ( -10.526 -8.400 0.000) 13.467 17.008 ( -19.555 -10.473 0.000) 22.183 17.490 ( -26.670 0.533 0.000) 26.675 17.585 ( -19.260 2.179 0.000) 19.383 17.990 ( -17.191 -1.332 0.000) 17.243 18.227 ( -9.587 -8.215 0.000) 12.625 18.622 ( -25.893 -5.003 0.000) 26.371 20.338 ( -2.001 6.284 0.000) 6.595 20.476 ( -7.997 6.355 0.000) 10.215 21.082 ( 1.624 10.117 0.000) 10.247 21.274 ( -4.610 5.775 0.000) 7.389 22.023 ( 11.219 1.457 0.000) 11.313 22.163 ( 8.947 0.816 0.000) 8.985 22.276 ( 7.007 4.897 0.000) 8.549 22.680 ( 1.215 1.562 0.000) 1.979 22.748 ( -7.909 -0.322 0.000) 7.915 22.936 ( -3.694 1.935 0.000) 4.171 23.742 ( 13.743 -0.192 0.000) 13.745 23.779 ( 16.807 -0.087 0.000) 16.808 24.283 ( -4.806 -0.549 0.000) 4.837 24.595 ( -8.665 0.393 0.000) 8.674 25.156 ( 28.654 -16.660 0.000) 33.146 25.810 ( 4.855 -3.908 0.000) 6.233 25.966 ( 9.817 -0.489 0.000) 9.829 26.166 ( -0.238 -3.176 0.000) 3.185 26.413 ( 2.459 -9.304 0.000) 9.624 26.480 ( 0.185 -9.259 0.000) 9.261 27.738 ( 3.964 1.075 0.000) 4.107 28.127 ( -9.387 -1.592 0.000) 9.521 29.621 ( 8.919 4.218 0.000) 9.866 30.013 ( 5.057 12.354 0.000) 13.349 30.239 ( 6.828 -0.925 0.000) 6.890 31.218 ( -19.780 9.590 0.000) 21.982 32.013 ( 5.970 -0.223 0.000) 5.975 32.461 ( -8.534 0.078 0.000) 8.534 33.241 ( -5.387 8.183 0.000) 9.797 33.494 ( -10.285 4.059 0.000) 11.057 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 5.437 -0.308 0.000) 5.446 2.132 ( -3.732 -1.317 0.000) 3.957 2.721 ( 5.057 -0.163 0.000) 5.060 2.796 ( -2.253 2.260 0.000) 3.191 2.886 ( 5.946 5.215 0.000) 7.909 2.966 ( -2.513 2.753 0.000) 3.728 3.260 ( 8.347 2.128 0.000) 8.614 3.411 ( -6.967 2.975 0.000) 7.575 3.667 ( 4.244 2.778 0.000) 5.073 3.719 ( -1.257 0.750 0.000) 1.464 3.931 ( 2.689 -1.626 0.000) 3.142 3.992 ( -2.901 -1.187 0.000) 3.135 5.390 ( 16.441 9.623 0.000) 19.051 5.534 ( 13.342 6.573 0.000) 14.873 5.602 ( -2.395 3.130 0.000) 3.942 5.800 ( -9.348 2.539 0.000) 9.687 6.374 ( 9.010 17.219 0.000) 19.434 6.557 ( -8.274 9.040 0.000) 12.255 6.983 ( 5.944 0.961 0.000) 6.021 7.065 ( -3.288 -1.442 0.000) 3.590 7.544 ( 17.398 -19.620 0.000) 26.223 7.861 ( -13.773 -18.106 0.000) 22.749 8.207 ( 15.562 -1.878 0.000) 15.675 8.443 ( -5.749 2.249 0.000) 6.173 8.893 ( 12.568 4.939 0.000) 13.504 8.965 ( 5.846 0.739 0.000) 5.893 9.243 ( 7.161 -16.012 0.000) 17.540 9.324 ( 0.190 -8.103 0.000) 8.105 9.697 ( 6.010 1.412 0.000) 6.174 9.756 ( -1.588 -6.235 0.000) 6.434 9.898 ( 22.499 -11.832 0.000) 25.420 10.169 ( 2.921 -5.884 0.000) 6.570 10.244 ( 4.465 0.977 0.000) 4.571 10.679 ( -19.924 -20.006 0.000) 28.234 10.885 ( 10.152 -22.664 0.000) 24.834 11.113 ( -12.817 7.650 0.000) 14.926 11.539 ( 6.569 15.304 0.000) 16.655 11.674 ( -7.613 10.529 0.000) 12.993 12.020 ( 10.023 18.355 0.000) 20.913 12.118 ( 3.931 11.831 0.000) 12.467 12.319 ( 10.989 4.092 0.000) 11.726 12.705 ( -13.981 0.608 0.000) 13.994 13.126 ( 33.247 -1.216 0.000) 33.269 13.405 ( 2.324 6.000 0.000) 6.434 13.467 ( -2.702 5.215 0.000) 5.874 13.691 ( -19.203 -1.207 0.000) 19.241 13.757 ( -0.574 8.750 0.000) 8.769 13.863 ( -8.002 12.857 0.000) 15.143 14.349 ( 17.415 2.938 0.000) 17.662 14.548 ( -4.136 0.859 0.000) 4.225 15.187 ( 26.908 -0.326 0.000) 26.910 15.629 ( -3.934 -7.623 0.000) 8.579 15.972 ( -0.456 -10.701 0.000) 10.711 16.298 ( -30.114 -9.893 0.000) 31.697 16.867 ( 2.636 -11.590 0.000) 11.886 17.037 ( -14.760 -6.222 0.000) 16.018 17.429 ( 0.451 -3.945 0.000) 3.971 17.616 ( -17.401 -3.957 0.000) 17.846 18.170 ( 1.653 -5.174 0.000) 5.432 18.282 ( -10.659 -4.704 0.000) 11.651 20.319 ( 0.353 6.937 0.000) 6.946 20.360 ( -4.022 7.488 0.000) 8.500 21.118 ( 2.505 9.424 0.000) 9.751 21.184 ( -4.309 8.184 0.000) 9.250 22.212 ( 7.602 0.390 0.000) 7.612 22.269 ( 1.725 1.449 0.000) 2.253 22.408 ( 6.794 2.452 0.000) 7.223 22.567 ( -9.559 -0.032 0.000) 9.560 22.742 ( 4.536 2.358 0.000) 5.112 22.844 ( -5.533 2.622 0.000) 6.123 23.985 ( 11.219 -0.414 0.000) 11.227 24.099 ( 15.893 0.142 0.000) 15.894 24.166 ( -7.553 -0.463 0.000) 7.567 24.379 ( -13.085 0.444 0.000) 13.092 25.614 ( 18.009 -8.772 0.000) 20.032 25.831 ( -4.314 -4.701 0.000) 6.380 26.087 ( 3.457 -0.717 0.000) 3.531 26.135 ( -2.136 -0.583 0.000) 2.214 26.461 ( 1.976 -13.779 0.000) 13.920 26.482 ( -0.254 -13.433 0.000) 13.436 27.833 ( 5.884 0.487 0.000) 5.904 27.963 ( -7.628 -0.392 0.000) 7.638 29.795 ( 8.886 7.522 0.000) 11.642 29.952 ( -7.079 11.460 0.000) 13.471 30.510 ( 17.104 1.810 0.000) 17.199 30.852 ( -18.354 7.019 0.000) 19.650 32.143 ( 7.495 -0.194 0.000) 7.498 32.297 ( -8.407 -0.091 0.000) 8.407 33.218 ( 2.484 4.884 0.000) 5.479 33.319 ( -7.574 3.436 0.000) 8.317 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 5.597 0.000) 5.597 1.957 ( 0.000 -6.044 0.000) 6.044 2.190 ( 0.000 15.490 0.000) 15.490 2.487 ( 0.000 -0.130 0.000) 0.130 2.774 ( 0.000 7.875 0.000) 7.875 3.046 ( 0.000 -3.649 0.000) 3.649 3.233 ( 0.000 1.756 0.000) 1.756 3.430 ( 0.000 0.111 0.000) 0.111 3.490 ( 0.000 11.470 0.000) 11.470 3.673 ( 0.000 1.479 0.000) 1.479 3.820 ( 0.000 0.293 0.000) 0.293 3.970 ( 0.000 0.993 0.000) 0.993 4.032 ( 0.000 1.347 0.000) 1.347 4.503 ( 0.000 7.675 0.000) 7.675 5.024 ( 0.000 13.589 0.000) 13.589 5.238 ( 0.000 -8.100 0.000) 8.100 5.522 ( 0.000 -7.599 0.000) 7.599 6.177 ( 0.000 -14.169 0.000) 14.169 6.405 ( 0.000 15.116 0.000) 15.116 6.466 ( 0.000 14.075 0.000) 14.075 6.680 ( 0.000 -13.216 0.000) 13.216 6.895 ( 0.000 21.995 0.000) 21.995 7.148 ( 0.000 -24.308 0.000) 24.308 7.899 ( 0.000 21.842 0.000) 21.842 8.118 ( 0.000 4.384 0.000) 4.384 8.211 ( 0.000 -12.731 0.000) 12.731 8.402 ( 0.000 -25.516 0.000) 25.516 8.673 ( 0.000 -17.957 0.000) 17.957 8.718 ( 0.000 -9.953 0.000) 9.953 8.787 ( 0.000 -5.709 0.000) 5.709 9.727 ( 0.000 -2.626 0.000) 2.626 10.331 ( 0.000 -3.967 0.000) 3.967 10.394 ( 0.000 1.983 0.000) 1.983 10.559 ( 0.000 2.241 0.000) 2.241 10.780 ( 0.000 0.416 0.000) 0.416 11.041 ( 0.000 4.197 0.000) 4.197 11.080 ( 0.000 3.336 0.000) 3.336 11.599 ( 0.000 10.805 0.000) 10.805 11.697 ( 0.000 2.118 0.000) 2.118 11.905 ( 0.000 14.579 0.000) 14.579 12.091 ( 0.000 -1.173 0.000) 1.173 12.587 ( 0.000 -1.224 0.000) 1.224 12.788 ( 0.000 6.897 0.000) 6.897 13.068 ( 0.000 -1.993 0.000) 1.993 13.131 ( 0.000 -5.602 0.000) 5.602 13.206 ( 0.000 -0.833 0.000) 0.833 13.421 ( 0.000 -0.177 0.000) 0.177 13.871 ( 0.000 -8.351 0.000) 8.351 14.636 ( 0.000 13.488 0.000) 13.488 14.895 ( 0.000 -5.437 0.000) 5.437 15.233 ( 0.000 -2.443 0.000) 2.443 15.497 ( 0.000 -4.558 0.000) 4.558 16.191 ( 0.000 -7.452 0.000) 7.452 16.647 ( 0.000 -0.968 0.000) 0.968 17.557 ( 0.000 18.401 0.000) 18.401 17.950 ( 0.000 -18.641 0.000) 18.641 18.434 ( 0.000 0.085 0.000) 0.085 18.779 ( 0.000 0.158 0.000) 0.158 19.653 ( 0.000 2.281 0.000) 2.281 20.152 ( 0.000 2.251 0.000) 2.251 20.574 ( 0.000 0.195 0.000) 0.195 20.712 ( 0.000 0.381 0.000) 0.381 20.833 ( 0.000 7.073 0.000) 7.073 21.005 ( 0.000 -5.816 0.000) 5.816 21.687 ( 0.000 1.866 0.000) 1.866 21.804 ( 0.000 -0.035 0.000) 0.035 22.178 ( 0.000 1.994 0.000) 1.994 22.744 ( 0.000 1.046 0.000) 1.046 22.875 ( 0.000 -0.461 0.000) 0.461 22.935 ( 0.000 0.017 0.000) 0.017 22.957 ( 0.000 0.015 0.000) 0.015 23.202 ( 0.000 -0.239 0.000) 0.239 23.309 ( 0.000 0.667 0.000) 0.667 24.453 ( 0.000 -0.102 0.000) 0.102 25.188 ( 0.000 -1.780 0.000) 1.780 25.244 ( 0.000 -0.075 0.000) 0.075 25.307 ( 0.000 0.119 0.000) 0.119 25.910 ( 0.000 -2.969 0.000) 2.969 26.451 ( 0.000 1.492 0.000) 1.492 26.473 ( 0.000 -1.541 0.000) 1.541 27.673 ( 0.000 0.334 0.000) 0.334 28.482 ( 0.000 -4.055 0.000) 4.055 29.300 ( 0.000 0.060 0.000) 0.060 29.305 ( 0.000 -0.405 0.000) 0.405 30.543 ( 0.000 5.675 0.000) 5.675 31.829 ( 0.000 -0.347 0.000) 0.347 31.985 ( 0.000 -0.471 0.000) 0.471 32.756 ( 0.000 -0.592 0.000) 0.592 33.952 ( 0.000 4.577 0.000) 4.577 34.198 ( 0.000 -3.906 0.000) 3.906 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 2.226 5.079 0.000) 5.546 2.006 ( 4.834 -5.896 0.000) 7.624 2.307 ( 10.700 11.624 0.000) 15.798 2.487 ( -0.041 0.031 0.000) 0.051 2.792 ( 2.943 5.880 0.000) 6.576 3.059 ( 0.368 -0.673 0.000) 0.767 3.158 ( -5.560 0.326 0.000) 5.570 3.510 ( 5.966 2.158 0.000) 6.344 3.598 ( 9.705 8.312 0.000) 12.778 3.682 ( 1.037 2.838 0.000) 3.022 3.802 ( -1.022 -0.731 0.000) 1.256 3.956 ( -1.676 -1.442 0.000) 2.211 4.581 ( 35.437 5.006 0.000) 35.789 4.630 ( 26.061 11.380 0.000) 28.437 5.141 ( 11.431 9.210 0.000) 14.679 5.312 ( 9.197 -4.576 0.000) 10.273 5.620 ( 9.794 -9.501 0.000) 13.645 6.153 ( 0.802 -4.584 0.000) 4.653 6.438 ( -0.637 5.492 0.000) 5.529 6.585 ( -2.477 -13.567 0.000) 13.792 6.743 ( 22.441 6.756 0.000) 23.436 6.968 ( 9.177 25.990 0.000) 27.562 7.329 ( 15.409 -19.729 0.000) 25.033 7.948 ( 2.747 18.153 0.000) 18.359 8.179 ( 3.877 -5.827 0.000) 6.999 8.339 ( 15.257 -3.512 0.000) 15.656 8.422 ( 3.246 -17.747 0.000) 18.041 8.678 ( 1.942 -15.417 0.000) 15.539 8.810 ( 8.887 -9.904 0.000) 13.307 8.904 ( 10.363 -11.063 0.000) 15.158 9.756 ( 3.235 -3.535 0.000) 4.792 10.259 ( -6.835 -3.914 0.000) 7.876 10.361 ( -4.143 -0.755 0.000) 4.211 10.746 ( 18.600 6.482 0.000) 19.697 10.822 ( 3.888 0.406 0.000) 3.910 11.035 ( 1.951 4.160 0.000) 4.595 11.088 ( -0.583 1.158 0.000) 1.296 11.640 ( -9.081 4.306 0.000) 10.051 11.667 ( -4.300 4.879 0.000) 6.503 11.857 ( 2.522 13.126 0.000) 13.366 11.998 ( 4.964 1.353 0.000) 5.145 12.634 ( -6.953 2.839 0.000) 7.510 12.869 ( 16.667 2.832 0.000) 16.906 12.954 ( -2.131 -5.995 0.000) 6.362 13.268 ( 9.321 5.727 0.000) 10.940 13.413 ( 11.995 3.648 0.000) 12.537 13.602 ( 16.191 -11.531 0.000) 19.878 13.861 ( 0.194 -7.027 0.000) 7.030 14.624 ( -1.269 16.655 0.000) 16.703 14.895 ( 0.403 -7.902 0.000) 7.913 15.169 ( -8.281 1.618 0.000) 8.437 15.402 ( -9.827 -2.944 0.000) 10.258 15.851 ( -23.662 -10.534 0.000) 25.901 16.747 ( 4.034 -2.816 0.000) 4.920 17.563 ( -2.629 13.008 0.000) 13.271 17.945 ( 0.427 -12.394 0.000) 12.401 18.260 ( -16.259 -0.903 0.000) 16.284 18.690 ( -9.152 0.279 0.000) 9.156 19.207 ( -37.258 2.471 0.000) 37.340 19.836 ( -28.734 -0.263 0.000) 28.735 20.541 ( -2.751 3.017 0.000) 4.083 20.756 ( 0.277 -1.249 0.000) 1.279 21.041 ( 11.940 5.899 0.000) 13.318 21.158 ( 14.436 -2.907 0.000) 14.726 21.714 ( 4.463 2.463 0.000) 5.098 21.837 ( 3.417 -0.453 0.000) 3.447 22.176 ( 0.504 1.863 0.000) 1.930 22.715 ( -1.569 0.946 0.000) 1.832 22.903 ( 0.892 -0.266 0.000) 0.931 22.941 ( 1.527 -0.111 0.000) 1.531 23.181 ( 14.633 -0.642 0.000) 14.647 23.351 ( 5.063 0.696 0.000) 5.111 23.410 ( 25.915 -2.639 0.000) 26.049 24.417 ( -3.032 -0.151 0.000) 3.035 25.033 ( -9.916 -0.459 0.000) 9.927 25.399 ( 14.084 -0.551 0.000) 14.095 25.461 ( 9.826 -0.798 0.000) 9.858 25.929 ( 2.070 -3.197 0.000) 3.808 26.434 ( -1.786 1.023 0.000) 2.058 26.452 ( -1.916 -1.418 0.000) 2.384 27.677 ( 0.534 0.349 0.000) 0.638 28.408 ( -6.850 -3.296 0.000) 7.602 29.350 ( 4.856 -0.034 0.000) 4.856 29.436 ( 12.855 -0.430 0.000) 12.862 30.513 ( -3.086 5.511 0.000) 6.317 31.845 ( 1.008 -0.471 0.000) 1.112 31.907 ( -7.339 0.129 0.000) 7.340 32.718 ( -3.892 -0.470 0.000) 3.920 33.837 ( -11.368 2.937 0.000) 11.741 34.072 ( -11.588 0.284 0.000) 11.592 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 3.942 3.434 0.000) 5.228 2.108 ( 4.445 -4.274 0.000) 6.166 2.487 ( 3.377 1.829 0.000) 3.841 2.565 ( 12.561 4.525 0.000) 13.351 2.894 ( 6.707 4.805 0.000) 8.251 3.043 ( -2.655 0.947 0.000) 2.818 3.071 ( -1.814 -0.941 0.000) 2.044 3.588 ( 1.765 1.545 0.000) 2.346 3.695 ( 0.295 6.303 0.000) 6.310 3.733 ( 1.160 2.385 0.000) 2.653 3.847 ( 5.322 -0.661 0.000) 5.363 3.926 ( 0.338 -2.540 0.000) 2.562 4.904 ( 17.768 11.893 0.000) 21.381 5.227 ( 12.941 8.794 0.000) 15.646 5.554 ( 20.841 10.096 0.000) 23.158 5.703 ( 18.357 4.281 0.000) 18.850 5.961 ( 34.138 -11.406 0.000) 35.993 6.233 ( 5.488 -17.499 0.000) 18.339 6.429 ( -0.806 -20.032 0.000) 20.048 6.644 ( 19.728 16.938 0.000) 26.002 7.113 ( 13.769 -1.295 0.000) 13.830 7.343 ( 26.528 30.339 0.000) 40.302 7.688 ( 20.494 -12.913 0.000) 24.223 7.973 ( 1.423 4.723 0.000) 4.933 8.216 ( 1.508 -3.654 0.000) 3.953 8.551 ( 9.761 0.099 0.000) 9.761 8.684 ( 13.546 -24.222 0.000) 27.753 8.867 ( 20.552 7.223 0.000) 21.784 8.987 ( 8.277 -12.341 0.000) 14.860 9.153 ( 16.018 -13.412 0.000) 20.892 9.856 ( 6.544 -5.158 0.000) 8.332 10.112 ( -6.884 -5.480 0.000) 8.799 10.272 ( -4.135 -2.976 0.000) 5.095 10.726 ( -20.922 2.871 0.000) 21.118 10.903 ( -11.466 -1.482 0.000) 11.562 11.143 ( 11.711 -0.247 0.000) 11.714 11.276 ( 19.620 13.101 0.000) 23.592 11.468 ( 13.467 -4.099 0.000) 14.077 11.762 ( 9.844 6.464 0.000) 11.776 11.992 ( 8.656 14.131 0.000) 16.571 12.177 ( 9.154 0.966 0.000) 9.205 12.535 ( -1.349 2.663 0.000) 2.985 12.934 ( 1.524 -0.013 0.000) 1.525 13.308 ( 23.782 0.998 0.000) 23.803 13.377 ( 4.096 6.505 0.000) 7.687 13.646 ( 6.154 -2.689 0.000) 6.716 13.725 ( 0.536 -7.919 0.000) 7.937 14.026 ( 12.308 -7.429 0.000) 14.376 14.591 ( -3.607 23.663 0.000) 23.937 14.786 ( -24.669 3.859 0.000) 24.968 14.959 ( 4.548 -13.325 0.000) 14.080 15.168 ( -11.090 5.286 0.000) 12.286 15.611 ( -1.119 -18.574 0.000) 18.608 16.758 ( -2.103 -3.142 0.000) 3.781 17.341 ( -21.119 0.639 0.000) 21.129 17.854 ( -16.537 3.415 0.000) 16.886 18.029 ( -0.057 -6.451 0.000) 6.451 18.403 ( -33.701 5.317 0.000) 34.117 18.460 ( -24.796 -2.123 0.000) 24.887 19.161 ( -38.880 -3.437 0.000) 39.032 20.482 ( -3.087 2.728 0.000) 4.120 20.703 ( -4.921 1.630 0.000) 5.184 21.213 ( 5.549 6.915 0.000) 8.866 21.328 ( 2.781 -2.198 0.000) 3.545 21.886 ( 9.442 4.044 0.000) 10.272 21.951 ( 10.367 -1.898 0.000) 10.539 22.227 ( 4.987 1.578 0.000) 5.231 22.698 ( -0.154 0.928 0.000) 0.940 22.864 ( -4.372 -0.122 0.000) 4.374 22.984 ( 1.337 0.300 0.000) 1.371 23.456 ( 15.404 -0.078 0.000) 15.404 23.502 ( 10.787 0.115 0.000) 10.788 24.109 ( 41.020 -6.104 0.000) 41.472 24.353 ( -3.579 -0.227 0.000) 3.587 24.842 ( -9.949 -0.618 0.000) 9.968 25.634 ( 7.915 -1.269 0.000) 8.016 25.707 ( 16.153 -0.166 0.000) 16.154 25.988 ( 3.940 -3.835 0.000) 5.498 26.386 ( -3.108 0.154 0.000) 3.112 26.408 ( -2.623 -1.888 0.000) 3.231 27.698 ( 1.818 0.349 0.000) 1.851 28.253 ( -8.628 -2.140 0.000) 8.890 29.482 ( 8.711 0.407 0.000) 8.720 29.753 ( 19.239 -0.155 0.000) 19.239 30.426 ( -5.953 5.001 0.000) 7.775 31.669 ( -15.015 1.177 0.000) 15.061 31.912 ( 3.989 -0.124 0.000) 3.991 32.612 ( -6.925 -0.193 0.000) 6.928 33.573 ( -14.017 2.818 0.000) 14.298 33.816 ( -13.983 2.945 0.000) 14.290 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 4.484 1.566 0.000) 4.749 2.146 ( -0.319 -1.674 0.000) 1.704 2.582 ( 6.617 -0.655 0.000) 6.649 2.793 ( 9.217 2.635 0.000) 9.586 2.939 ( -2.449 3.684 0.000) 4.424 3.017 ( -0.270 -0.043 0.000) 0.274 3.127 ( 8.056 0.481 0.000) 8.070 3.571 ( -3.583 1.521 0.000) 3.893 3.707 ( 1.450 5.884 0.000) 6.060 3.738 ( 0.215 1.122 0.000) 1.143 3.849 ( -1.233 -4.480 0.000) 4.647 3.998 ( 2.442 -0.042 0.000) 2.443 5.225 ( 15.423 5.297 0.000) 16.308 5.510 ( 16.102 18.262 0.000) 24.347 5.811 ( 4.125 15.778 0.000) 16.308 5.902 ( 7.730 -1.411 0.000) 7.857 6.244 ( 3.348 -21.987 0.000) 22.241 6.374 ( -0.473 -18.168 0.000) 18.174 6.566 ( 22.074 -3.793 0.000) 22.398 7.057 ( 8.846 17.533 0.000) 19.638 7.433 ( 9.507 -2.563 0.000) 9.847 7.838 ( 14.829 1.251 0.000) 14.882 7.878 ( 2.029 -2.894 0.000) 3.534 8.265 ( 40.389 16.310 0.000) 43.558 8.418 ( 18.462 -2.547 0.000) 18.637 8.754 ( 11.128 3.852 0.000) 11.776 8.877 ( 7.528 -16.745 0.000) 18.359 9.123 ( 6.320 -15.941 0.000) 17.148 9.269 ( 20.625 8.290 0.000) 22.229 9.533 ( 18.743 -2.971 0.000) 18.977 9.913 ( -0.408 -5.488 0.000) 5.504 10.080 ( -3.976 -7.571 0.000) 8.551 10.170 ( -8.635 -8.109 0.000) 11.845 10.256 ( -10.718 -6.318 0.000) 12.441 10.610 ( -15.887 -4.698 0.000) 16.567 11.459 ( 11.682 4.706 0.000) 12.595 11.543 ( 15.614 6.002 0.000) 16.728 11.770 ( 9.393 6.388 0.000) 11.359 12.123 ( 1.416 13.182 0.000) 13.258 12.162 ( 16.772 2.350 0.000) 16.936 12.343 ( 22.859 1.002 0.000) 22.881 12.592 ( 3.970 1.222 0.000) 4.154 12.915 ( -4.710 5.185 0.000) 7.004 13.402 ( -0.119 -5.926 0.000) 5.927 13.567 ( -2.239 3.947 0.000) 4.538 13.768 ( 1.215 -3.120 0.000) 3.348 13.818 ( 16.865 0.347 0.000) 16.869 14.086 ( -5.899 -5.319 0.000) 7.942 14.224 ( -14.771 3.527 0.000) 15.186 14.766 ( 8.580 21.270 0.000) 22.935 15.019 ( -1.415 4.969 0.000) 5.167 15.151 ( 14.232 -12.884 0.000) 19.197 15.690 ( 7.009 -15.824 0.000) 17.307 16.680 ( -8.179 -1.291 0.000) 8.280 16.817 ( -28.621 -6.604 0.000) 29.373 17.491 ( -22.983 -0.325 0.000) 22.986 17.680 ( -30.416 4.493 0.000) 30.746 17.989 ( -18.525 2.146 0.000) 18.648 18.090 ( -7.797 -5.277 0.000) 9.415 18.497 ( -25.520 -5.115 0.000) 26.027 20.435 ( -1.472 2.735 0.000) 3.106 20.592 ( -6.035 3.619 0.000) 7.036 21.259 ( 0.451 6.396 0.000) 6.411 21.338 ( -0.958 0.135 0.000) 0.967 22.040 ( 8.351 0.384 0.000) 8.360 22.170 ( 9.380 -0.027 0.000) 9.380 22.346 ( 6.388 1.686 0.000) 6.607 22.714 ( 1.705 1.316 0.000) 2.154 22.741 ( -7.803 -0.324 0.000) 7.809 22.971 ( -2.601 1.121 0.000) 2.833 23.740 ( 13.234 -0.027 0.000) 13.234 23.776 ( 17.282 -0.096 0.000) 17.283 24.274 ( -4.832 -0.252 0.000) 4.839 24.621 ( -9.380 1.814 0.000) 9.554 24.885 ( 34.062 -8.320 0.000) 35.064 25.757 ( 4.455 -1.326 0.000) 4.648 25.971 ( 10.376 1.023 0.000) 10.426 26.072 ( 4.528 -4.544 0.000) 6.415 26.313 ( -4.356 -0.759 0.000) 4.421 26.350 ( -3.394 -3.917 0.000) 5.183 27.750 ( 3.599 0.239 0.000) 3.607 28.091 ( -8.038 -1.224 0.000) 8.131 29.674 ( 10.949 1.164 0.000) 11.010 30.148 ( 21.236 1.226 0.000) 21.272 30.287 ( -8.354 3.876 0.000) 9.210 31.339 ( -18.864 2.642 0.000) 19.048 32.009 ( 5.988 -0.142 0.000) 5.990 32.462 ( -8.504 -0.009 0.000) 8.504 33.359 ( -7.510 2.962 0.000) 8.073 33.562 ( -11.944 2.010 0.000) 12.112 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.011 0.288 0.000) 4.022 2.113 ( -2.816 -0.530 0.000) 2.866 2.715 ( 6.692 -0.246 0.000) 6.696 2.826 ( -4.419 0.648 0.000) 4.467 2.958 ( 3.463 1.815 0.000) 3.909 3.001 ( -1.291 0.747 0.000) 1.491 3.303 ( 9.191 1.470 0.000) 9.308 3.463 ( -7.228 1.632 0.000) 7.410 3.729 ( 0.725 1.213 0.000) 1.413 3.742 ( -0.422 2.522 0.000) 2.557 3.878 ( 4.651 -2.652 0.000) 5.354 3.977 ( -4.149 -0.468 0.000) 4.175 5.519 ( 14.906 -0.276 0.000) 14.909 5.710 ( 0.094 12.684 0.000) 12.685 5.850 ( 1.534 14.773 0.000) 14.852 5.898 ( -3.911 12.542 0.000) 13.137 6.333 ( 4.461 -25.055 0.000) 25.449 6.381 ( 0.313 -17.641 0.000) 17.644 6.972 ( 16.845 3.958 0.000) 17.303 7.122 ( -0.524 7.680 0.000) 7.698 7.490 ( 3.187 3.083 0.000) 4.434 7.670 ( -12.990 -3.175 0.000) 13.372 8.190 ( 17.031 0.276 0.000) 17.033 8.471 ( -8.876 0.622 0.000) 8.898 8.954 ( 12.037 -4.980 0.000) 13.027 9.003 ( 4.858 -4.376 0.000) 6.538 9.054 ( 16.505 8.920 0.000) 18.761 9.189 ( -0.857 -4.067 0.000) 4.156 9.643 ( -1.374 0.392 0.000) 1.429 9.728 ( -12.053 -1.879 0.000) 12.198 9.816 ( 31.779 5.440 0.000) 32.241 10.078 ( 11.846 -8.474 0.000) 14.564 10.149 ( -6.387 -8.314 0.000) 10.484 10.280 ( -6.027 -15.934 0.000) 17.036 10.480 ( 22.200 -6.688 0.000) 23.186 11.222 ( -36.004 2.960 0.000) 36.126 11.829 ( 6.825 9.474 0.000) 11.676 11.883 ( 0.426 5.974 0.000) 5.989 12.210 ( 17.758 1.682 0.000) 17.837 12.340 ( 5.252 6.955 0.000) 8.716 12.504 ( -1.783 9.574 0.000) 9.739 12.705 ( -17.409 0.609 0.000) 17.420 13.068 ( 34.160 -3.427 0.000) 34.332 13.443 ( 2.675 -0.499 0.000) 2.721 13.612 ( 0.919 1.663 0.000) 1.900 13.649 ( -8.260 3.365 0.000) 8.919 13.777 ( -7.621 -1.693 0.000) 7.806 13.900 ( -11.654 -5.407 0.000) 12.847 14.431 ( 20.461 2.692 0.000) 20.637 14.725 ( -10.043 9.679 0.000) 13.948 15.278 ( 22.182 8.224 0.000) 23.658 15.453 ( 12.510 -8.591 0.000) 15.176 15.783 ( 2.577 -6.771 0.000) 7.244 16.150 ( -32.025 -4.024 0.000) 32.277 16.662 ( 3.961 -6.494 0.000) 7.606 16.968 ( -25.719 -0.924 0.000) 25.736 17.374 ( -2.313 -1.273 0.000) 2.640 17.544 ( -18.231 -2.438 0.000) 18.393 18.085 ( 2.271 -2.384 0.000) 3.293 18.187 ( -9.234 -3.163 0.000) 9.761 20.434 ( 1.387 3.346 0.000) 3.623 20.489 ( -4.340 3.863 0.000) 5.810 21.270 ( 1.091 4.521 0.000) 4.650 21.304 ( -2.208 2.923 0.000) 3.664 22.205 ( 7.779 -0.517 0.000) 7.796 22.276 ( 1.261 -0.231 0.000) 1.282 22.448 ( 4.566 1.049 0.000) 4.685 22.568 ( -8.506 0.092 0.000) 8.506 22.788 ( 5.128 1.552 0.000) 5.358 22.893 ( -5.232 1.567 0.000) 5.461 23.978 ( 11.074 -0.196 0.000) 11.076 24.101 ( 15.295 0.075 0.000) 15.296 24.160 ( -6.555 -0.141 0.000) 6.557 24.391 ( -13.521 0.493 0.000) 13.529 25.457 ( 23.536 -4.822 0.000) 24.024 25.754 ( -6.822 -2.244 0.000) 7.182 26.093 ( 3.587 1.600 0.000) 3.928 26.137 ( 0.364 -0.205 0.000) 0.417 26.250 ( -0.443 -4.978 0.000) 4.998 26.286 ( -2.965 -6.265 0.000) 6.931 27.835 ( 5.201 -0.058 0.000) 5.202 27.949 ( -6.650 -0.545 0.000) 6.672 29.892 ( 11.419 2.177 0.000) 11.625 30.103 ( -10.424 3.354 0.000) 10.951 30.560 ( 21.206 2.020 0.000) 21.302 30.960 ( -20.378 2.930 0.000) 20.587 32.140 ( 7.567 -0.110 0.000) 7.568 32.296 ( -8.547 -0.036 0.000) 8.547 33.294 ( 0.635 2.079 0.000) 2.174 33.373 ( -7.313 1.538 0.000) 7.473 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 0.000 40.200) 40.200 1.003 ( 0.000 0.000 44.226) 44.226 1.612 ( 0.000 0.000 61.124) 61.124 2.393 ( 0.000 0.000 -8.065) 8.065 2.450 ( 0.000 0.000 4.280) 4.280 2.497 ( 0.000 0.000 7.683) 7.683 3.062 ( 0.000 0.000 3.641) 3.641 3.258 ( 0.000 0.000 3.399) 3.399 3.452 ( 0.000 0.000 -1.362) 1.362 3.460 ( 0.000 0.000 -0.930) 0.930 3.766 ( 0.000 0.000 -8.397) 8.397 3.914 ( 0.000 0.000 -5.036) 5.036 4.028 ( 0.000 0.000 11.305) 11.305 4.674 ( 0.000 0.000 1.331) 1.331 4.707 ( 0.000 0.000 21.824) 21.824 4.919 ( 0.000 0.000 4.624) 4.624 5.195 ( 0.000 0.000 1.170) 1.170 5.986 ( 0.000 0.000 -23.150) 23.150 6.104 ( 0.000 0.000 -19.136) 19.136 6.834 ( 0.000 0.000 6.161) 6.161 6.962 ( 0.000 0.000 7.249) 7.249 7.310 ( 0.000 0.000 3.182) 3.182 8.075 ( 0.000 0.000 3.889) 3.889 8.094 ( 0.000 0.000 -16.696) 16.696 8.546 ( 0.000 0.000 -1.891) 1.891 8.728 ( 0.000 0.000 -42.137) 42.137 9.158 ( 0.000 0.000 -0.761) 0.761 9.184 ( 0.000 0.000 25.305) 25.305 9.306 ( 0.000 0.000 -13.218) 13.218 9.596 ( 0.000 0.000 4.514) 4.514 9.744 ( 0.000 0.000 -22.488) 22.488 9.991 ( 0.000 0.000 4.219) 4.219 10.074 ( 0.000 0.000 -5.690) 5.690 10.203 ( 0.000 0.000 26.428) 26.428 10.717 ( 0.000 0.000 -4.331) 4.331 10.913 ( 0.000 0.000 4.231) 4.231 11.176 ( 0.000 0.000 14.570) 14.570 11.184 ( 0.000 0.000 -2.280) 2.280 11.465 ( 0.000 0.000 -2.781) 2.781 11.509 ( 0.000 0.000 -10.034) 10.034 12.104 ( 0.000 0.000 13.776) 13.776 12.192 ( 0.000 0.000 -1.160) 1.160 12.432 ( 0.000 0.000 8.854) 8.854 12.556 ( 0.000 0.000 -2.411) 2.411 13.187 ( 0.000 0.000 -3.665) 3.665 13.376 ( 0.000 0.000 -11.732) 11.732 13.478 ( 0.000 0.000 -4.432) 4.432 13.988 ( 0.000 0.000 10.485) 10.485 14.281 ( 0.000 0.000 -2.036) 2.036 15.085 ( 0.000 0.000 -21.421) 21.421 15.794 ( 0.000 0.000 10.085) 10.085 16.327 ( 0.000 0.000 24.452) 24.452 16.394 ( 0.000 0.000 2.864) 2.864 16.931 ( 0.000 0.000 16.543) 16.543 17.368 ( 0.000 0.000 11.426) 11.426 18.152 ( 0.000 0.000 -21.022) 21.022 18.278 ( 0.000 0.000 -13.417) 13.417 18.522 ( 0.000 0.000 -17.696) 17.696 19.771 ( 0.000 0.000 1.834) 1.834 19.808 ( 0.000 0.000 0.278) 0.278 20.552 ( 0.000 0.000 0.788) 0.788 20.662 ( 0.000 0.000 -2.006) 2.006 20.786 ( 0.000 0.000 10.270) 10.270 21.199 ( 0.000 0.000 -3.482) 3.482 21.380 ( 0.000 0.000 2.316) 2.316 21.714 ( 0.000 0.000 -3.263) 3.263 21.922 ( 0.000 0.000 10.099) 10.099 22.810 ( 0.000 0.000 -9.776) 9.776 22.937 ( 0.000 0.000 0.189) 0.189 22.953 ( 0.000 0.000 -0.173) 0.173 23.229 ( 0.000 0.000 0.051) 0.051 23.236 ( 0.000 0.000 -0.163) 0.163 24.386 ( 0.000 0.000 6.209) 6.209 25.084 ( 0.000 0.000 -11.246) 11.246 25.195 ( 0.000 0.000 4.462) 4.462 25.252 ( 0.000 0.000 1.925) 1.925 25.321 ( 0.000 0.000 0.164) 0.164 25.505 ( 0.000 0.000 0.167) 0.167 26.424 ( 0.000 0.000 3.274) 3.274 26.620 ( 0.000 0.000 -1.000) 1.000 28.108 ( 0.000 0.000 2.021) 2.021 28.283 ( 0.000 0.000 -1.744) 1.744 29.310 ( 0.000 0.000 0.176) 0.176 29.328 ( 0.000 0.000 -0.202) 0.202 29.930 ( 0.000 0.000 7.896) 7.896 30.750 ( 0.000 0.000 -10.116) 10.116 32.694 ( 0.000 0.000 2.073) 2.073 32.855 ( 0.000 0.000 -1.554) 1.554 33.077 ( 0.000 0.000 6.904) 6.904 33.639 ( 0.000 0.000 -5.454) 5.454 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 22.952 0.000 31.991) 39.373 1.410 ( 26.854 0.000 31.771) 41.600 1.959 ( 34.946 0.000 28.753) 45.255 2.404 ( 0.480 0.000 -0.548) 0.728 2.484 ( 4.949 0.000 6.096) 7.852 2.556 ( 5.830 0.000 3.216) 6.658 3.047 ( -0.777 0.000 3.398) 3.486 3.328 ( 5.921 0.000 2.319) 6.359 3.392 ( -2.243 0.000 -0.957) 2.439 3.492 ( 0.601 0.000 -0.152) 0.620 3.736 ( -0.940 0.000 -6.082) 6.154 3.929 ( 1.776 0.000 -5.088) 5.389 4.251 ( 14.402 0.000 10.265) 17.686 4.749 ( 5.327 0.000 -0.626) 5.363 4.897 ( 25.600 0.000 22.024) 33.770 4.989 ( 8.947 0.000 6.896) 11.296 5.255 ( 7.754 0.000 2.948) 8.295 6.087 ( -0.307 0.000 -15.125) 15.128 6.140 ( 13.521 0.000 -21.666) 25.539 6.881 ( -5.525 0.000 6.570) 8.585 7.201 ( 25.812 0.000 -11.087) 28.092 7.486 ( 15.070 0.000 -0.068) 15.070 8.049 ( -2.741 0.000 -12.958) 13.245 8.248 ( 16.673 0.000 4.650) 17.309 8.606 ( 2.245 0.000 -1.221) 2.556 8.809 ( 8.903 0.000 -39.531) 40.521 9.086 ( -4.995 0.000 13.730) 14.611 9.191 ( 2.681 0.000 -1.932) 3.304 9.349 ( 6.091 0.000 7.246) 9.466 9.666 ( 8.252 0.000 4.573) 9.434 9.785 ( 5.378 0.000 -18.044) 18.829 9.952 ( -4.153 0.000 17.647) 18.129 10.133 ( 4.342 0.000 -8.661) 9.689 10.226 ( 4.717 0.000 9.847) 10.918 10.620 ( -6.764 0.000 -2.120) 7.089 11.045 ( 8.323 0.000 11.088) 13.864 11.222 ( 8.117 0.000 5.037) 9.553 11.290 ( 8.198 0.000 1.091) 8.270 11.505 ( 2.657 0.000 -6.602) 7.117 11.604 ( 7.888 0.000 -9.921) 12.674 11.809 ( -22.374 0.000 -5.025) 22.932 12.154 ( 8.605 0.000 16.253) 18.391 12.478 ( -3.543 0.000 20.813) 21.112 12.771 ( 16.550 0.000 -5.111) 17.321 13.165 ( -2.101 0.000 -12.038) 12.220 13.483 ( 9.394 0.000 -7.771) 12.192 13.609 ( 3.750 0.000 -15.821) 16.260 14.019 ( 3.711 0.000 11.393) 11.982 14.280 ( -2.319 0.000 -3.284) 4.020 14.949 ( -8.022 0.000 -5.576) 9.770 15.511 ( -26.720 0.000 9.253) 28.277 16.208 ( -11.145 0.000 -0.982) 11.188 16.228 ( -3.602 0.000 22.747) 23.031 17.153 ( 12.017 0.000 13.531) 18.097 17.388 ( 4.596 0.000 13.160) 13.940 17.961 ( -15.786 0.000 -20.053) 25.521 18.297 ( -3.381 0.000 -10.026) 10.581 18.422 ( -9.489 0.000 -12.101) 15.378 19.503 ( -22.611 0.000 1.898) 22.690 19.613 ( -19.357 0.000 -0.870) 19.376 20.459 ( -7.973 0.000 1.868) 8.188 20.556 ( -5.343 0.000 1.046) 5.444 20.938 ( 2.210 0.000 -0.716) 2.323 21.216 ( -0.621 0.000 -5.513) 5.548 21.432 ( 9.189 0.000 4.964) 10.444 21.745 ( 4.394 0.000 -1.157) 4.544 21.974 ( 4.852 0.000 9.839) 10.971 22.831 ( 1.098 0.000 -9.296) 9.361 22.835 ( -6.802 0.000 7.529) 10.146 22.940 ( 0.163 0.000 -0.391) 0.423 23.266 ( 7.083 0.000 2.237) 7.428 23.300 ( 6.780 0.000 0.405) 6.792 24.454 ( 0.175 0.000 2.660) 2.666 24.943 ( -10.016 0.000 -7.408) 12.458 25.314 ( 5.107 0.000 2.735) 5.793 25.433 ( 13.600 0.000 -1.039) 13.640 25.654 ( 11.587 0.000 -3.076) 11.989 25.678 ( 26.865 0.000 -22.373) 34.961 26.486 ( 6.484 0.000 3.176) 7.220 26.671 ( 5.203 0.000 -1.198) 5.339 27.916 ( -12.088 0.000 11.880) 16.948 28.244 ( -3.866 0.000 -2.026) 4.365 29.348 ( 1.947 0.000 0.297) 1.969 29.556 ( 14.216 0.000 -13.487) 19.596 29.940 ( 2.397 0.000 6.121) 6.573 30.735 ( -1.509 0.000 -10.044) 10.157 32.489 ( -22.288 0.000 20.895) 30.551 32.671 ( -2.361 0.000 1.734) 2.930 33.053 ( -2.301 0.000 6.495) 6.890 33.594 ( -4.158 0.000 -5.188) 6.648 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 26.575 0.000 15.057) 30.544 1.798 ( 15.344 0.000 21.717) 26.591 2.411 ( 0.688 0.000 5.331) 5.375 2.532 ( 15.415 0.000 -0.604) 15.427 2.676 ( 5.551 0.000 3.191) 6.403 2.677 ( 16.461 0.000 5.574) 17.379 3.058 ( 2.337 0.000 2.794) 3.642 3.392 ( 2.914 0.000 -1.384) 3.226 3.438 ( 5.064 0.000 0.173) 5.067 3.496 ( 0.253 0.000 1.249) 1.274 3.730 ( 0.010 0.000 -6.065) 6.065 3.981 ( 2.991 0.000 -5.363) 6.141 4.554 ( 19.331 0.000 15.963) 25.070 4.843 ( 6.045 0.000 -0.847) 6.104 5.253 ( 7.230 0.000 -2.970) 7.816 5.261 ( 16.961 0.000 7.582) 18.578 5.849 ( 44.633 0.000 12.172) 46.263 6.128 ( 10.214 0.000 0.272) 10.217 6.333 ( 2.422 0.000 -13.025) 13.248 6.851 ( 3.554 0.000 0.293) 3.566 7.656 ( 21.079 0.000 -9.385) 23.074 7.765 ( 11.820 0.000 -6.015) 13.262 8.034 ( 1.572 0.000 -14.396) 14.482 8.503 ( -9.809 0.000 -0.645) 9.831 8.641 ( 21.354 0.000 1.152) 21.386 9.062 ( 14.296 0.000 -28.798) 32.152 9.122 ( 6.273 0.000 13.320) 14.723 9.256 ( 6.280 0.000 -4.016) 7.455 9.504 ( 6.887 0.000 9.845) 12.015 9.821 ( 7.814 0.000 4.247) 8.893 9.972 ( 12.568 0.000 -5.844) 13.860 10.007 ( 11.330 0.000 15.952) 19.566 10.119 ( -5.764 0.000 -11.328) 12.710 10.383 ( 12.395 0.000 3.048) 12.764 10.628 ( 9.940 0.000 -0.517) 9.953 11.112 ( 1.002 0.000 21.652) 21.675 11.197 ( -23.728 0.000 -7.557) 24.903 11.455 ( 4.768 0.000 4.461) 6.530 11.580 ( 25.774 0.000 -5.218) 26.297 11.783 ( 11.077 0.000 -10.506) 15.267 11.802 ( 14.812 0.000 -8.351) 17.004 12.424 ( 17.492 0.000 15.582) 23.426 12.428 ( -0.765 0.000 18.499) 18.515 12.922 ( -4.484 0.000 -0.758) 4.547 13.163 ( 3.674 0.000 -8.830) 9.563 13.539 ( -8.926 0.000 -12.333) 15.224 13.660 ( 7.897 0.000 -9.304) 12.204 14.112 ( -14.728 0.000 -4.000) 15.262 14.136 ( 6.642 0.000 12.617) 14.258 14.874 ( -2.212 0.000 -1.811) 2.859 14.975 ( -22.724 0.000 4.225) 23.114 16.044 ( -6.551 0.000 -12.401) 14.025 16.217 ( 1.732 0.000 19.262) 19.339 17.208 ( -2.403 0.000 7.799) 8.161 17.573 ( 9.673 0.000 14.534) 17.459 17.606 ( -20.034 0.000 -15.047) 25.056 18.100 ( -17.750 0.000 -4.588) 18.333 18.201 ( -12.402 0.000 -7.770) 14.635 18.976 ( -30.169 0.000 0.431) 30.172 19.129 ( -28.834 0.000 -2.728) 28.963 20.306 ( -6.972 0.000 3.033) 7.603 20.468 ( -4.811 0.000 -1.399) 5.010 20.862 ( -5.751 0.000 0.056) 5.751 21.133 ( -7.099 0.000 -6.689) 9.753 21.709 ( 16.421 0.000 4.290) 16.972 21.890 ( 9.556 0.000 0.985) 9.606 22.093 ( 7.320 0.000 8.457) 11.185 22.747 ( -2.905 0.000 6.608) 7.218 22.814 ( -3.182 0.000 -6.565) 7.295 22.931 ( -1.439 0.000 -1.771) 2.282 23.473 ( 13.465 0.000 0.615) 13.479 23.490 ( 12.372 0.000 0.356) 12.377 24.421 ( -2.691 0.000 4.077) 4.886 24.763 ( -8.642 0.000 -3.872) 9.470 25.444 ( 8.398 0.000 3.277) 9.015 25.716 ( 14.304 0.000 -1.595) 14.393 25.860 ( 9.229 0.000 -3.591) 9.903 26.002 ( 8.417 0.000 -17.653) 19.556 26.663 ( 11.198 0.000 2.493) 11.472 26.802 ( 7.695 0.000 -0.220) 7.698 27.756 ( -4.576 0.000 9.515) 10.558 28.144 ( -6.313 0.000 -2.460) 6.776 29.396 ( 2.864 0.000 1.390) 3.184 29.672 ( -0.402 0.000 -3.542) 3.565 30.068 ( 9.574 0.000 -4.732) 10.680 30.693 ( -2.826 0.000 -9.780) 10.180 32.223 ( -6.420 0.000 18.844) 19.907 32.605 ( -4.473 0.000 1.747) 4.803 33.006 ( -1.931 0.000 4.907) 5.274 33.486 ( -6.836 0.000 -4.928) 8.427 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 8.874 0.000 11.571) 14.582 2.161 ( 11.941 0.000 2.210) 12.144 2.471 ( 7.714 0.000 8.757) 11.670 2.687 ( 4.253 0.000 0.219) 4.259 2.752 ( 2.523 0.000 4.505) 5.163 2.886 ( 3.267 0.000 -0.378) 3.289 3.139 ( 5.609 0.000 2.528) 6.153 3.432 ( -1.705 0.000 0.995) 1.974 3.528 ( 4.688 0.000 -1.268) 4.857 3.590 ( 10.340 0.000 -2.460) 10.628 3.732 ( 0.407 0.000 -5.986) 6.000 4.011 ( -0.525 0.000 -6.124) 6.147 5.011 ( 27.341 0.000 13.413) 30.454 5.030 ( 13.659 0.000 -1.345) 13.726 5.365 ( 5.196 0.000 -6.401) 8.245 5.560 ( 12.862 0.000 7.759) 15.021 6.056 ( -1.619 0.000 -5.120) 5.369 6.250 ( -8.925 0.000 -4.740) 10.105 6.807 ( 27.069 0.000 15.164) 31.027 6.915 ( 0.443 0.000 -2.932) 2.966 7.942 ( 7.858 0.000 -10.626) 13.215 7.947 ( 8.581 0.000 4.826) 9.845 8.127 ( 9.045 0.000 -15.326) 17.796 8.529 ( 18.674 0.000 -4.586) 19.228 8.889 ( -0.152 0.000 -17.737) 17.738 9.190 ( 3.111 0.000 0.947) 3.252 9.216 ( 3.773 0.000 7.516) 8.410 9.474 ( 6.262 0.000 -2.251) 6.654 9.628 ( 7.636 0.000 4.943) 9.097 9.972 ( 7.868 0.000 3.836) 8.753 9.980 ( 2.731 0.000 -5.038) 5.731 10.320 ( 19.503 0.000 17.135) 25.961 10.321 ( 14.464 0.000 4.800) 15.239 10.681 ( 16.197 0.000 1.527) 16.268 10.750 ( -13.427 0.000 -13.723) 19.199 10.945 ( 13.859 0.000 0.373) 13.864 11.128 ( 1.095 0.000 21.133) 21.162 11.557 ( 6.387 0.000 8.606) 10.717 11.972 ( 12.547 0.000 -4.509) 13.333 12.099 ( 11.835 0.000 -13.825) 18.199 12.166 ( 28.019 0.000 -10.238) 29.831 12.440 ( 0.594 0.000 10.515) 10.532 12.653 ( -19.204 0.000 6.107) 20.152 12.757 ( 15.182 0.000 10.921) 18.702 13.251 ( 5.583 0.000 0.666) 5.623 13.331 ( -11.645 0.000 -8.060) 14.163 13.741 ( -2.239 0.000 -12.488) 12.687 13.765 ( -19.300 0.000 -3.246) 19.571 14.176 ( 1.434 0.000 6.405) 6.564 14.772 ( -9.152 0.000 -6.831) 11.420 14.880 ( 12.467 0.000 -0.405) 12.473 15.931 ( -6.277 0.000 -14.002) 15.344 16.281 ( 4.804 0.000 15.570) 16.295 17.143 ( -3.602 0.000 3.748) 5.199 17.211 ( -21.952 0.000 -8.335) 23.481 17.631 ( -28.443 0.000 0.551) 28.448 17.676 ( 1.204 0.000 11.163) 11.227 17.954 ( -12.767 0.000 -4.338) 13.484 18.478 ( -18.799 0.000 -0.984) 18.825 18.600 ( -23.593 0.000 -3.961) 23.923 20.209 ( -3.062 0.000 3.543) 4.683 20.354 ( -6.581 0.000 0.188) 6.584 20.793 ( -1.296 0.000 -0.729) 1.487 20.986 ( -7.435 0.000 -5.518) 9.259 21.997 ( 12.794 0.000 2.865) 13.111 22.069 ( 8.323 0.000 1.665) 8.488 22.244 ( 8.051 0.000 5.728) 9.881 22.713 ( -0.653 0.000 4.513) 4.560 22.714 ( -6.960 0.000 -4.010) 8.033 22.880 ( -3.695 0.000 -1.173) 3.876 23.740 ( 12.797 0.000 -0.807) 12.822 23.751 ( 14.586 0.000 -1.772) 14.694 24.362 ( -3.322 0.000 5.190) 6.162 24.600 ( -8.667 0.000 -0.671) 8.693 25.624 ( 9.811 0.000 2.548) 10.136 25.931 ( 6.642 0.000 -2.118) 6.972 26.009 ( 6.388 0.000 -2.725) 6.945 26.082 ( 1.845 0.000 -9.450) 9.628 26.874 ( 9.731 0.000 1.794) 9.895 26.942 ( 6.353 0.000 1.593) 6.550 27.725 ( 0.933 0.000 4.231) 4.332 28.013 ( -6.992 0.000 -2.403) 7.394 29.452 ( 2.887 0.000 2.426) 3.771 29.627 ( -3.244 0.000 1.771) 3.696 30.251 ( 9.013 0.000 -7.546) 11.755 30.627 ( -4.121 0.000 -9.248) 10.124 32.187 ( 1.572 0.000 12.582) 12.680 32.501 ( -6.222 0.000 3.385) 7.083 32.998 ( 1.375 0.000 1.956) 2.391 33.340 ( -8.094 0.000 -4.219) 9.128 ======================= Grid point 67 (25/60) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.160 0.000 6.604) 8.381 2.226 ( -1.625 0.000 3.236) 3.621 2.663 ( 8.162 0.000 1.966) 8.395 2.728 ( 0.141 0.000 0.237) 0.276 2.793 ( 2.626 0.000 4.958) 5.610 2.867 ( -3.740 0.000 1.666) 4.094 3.255 ( 6.121 0.000 2.253) 6.523 3.363 ( -4.900 0.000 1.772) 5.211 3.620 ( 4.515 0.000 -1.549) 4.774 3.683 ( -1.475 0.000 -0.935) 1.746 3.826 ( 8.526 0.000 -8.592) 12.105 3.957 ( -4.865 0.000 -7.202) 8.691 5.315 ( 12.874 0.000 -5.929) 14.174 5.419 ( 2.289 0.000 -4.412) 4.971 5.567 ( 25.655 0.000 2.051) 25.737 5.751 ( 8.505 0.000 10.032) 13.152 5.944 ( -9.744 0.000 4.558) 10.758 6.003 ( -17.544 0.000 -1.659) 17.622 6.893 ( -0.406 0.000 1.276) 1.339 6.942 ( -3.942 0.000 5.441) 6.719 8.077 ( 5.209 0.000 -11.803) 12.902 8.089 ( 4.711 0.000 -3.611) 5.935 8.367 ( 15.111 0.000 -14.703) 21.084 8.685 ( -16.580 0.000 -16.168) 23.158 8.965 ( 17.122 0.000 10.393) 20.030 9.183 ( -6.243 0.000 10.077) 11.854 9.344 ( 8.349 0.000 -7.378) 11.142 9.441 ( -3.606 0.000 -7.328) 8.167 9.846 ( 17.517 0.000 3.437) 17.851 10.126 ( 3.485 0.000 -0.001) 3.485 10.137 ( 7.318 0.000 4.038) 8.358 10.249 ( -14.825 0.000 6.928) 16.364 10.702 ( 17.297 0.000 16.492) 23.899 10.760 ( 7.398 0.000 0.840) 7.446 10.944 ( 13.358 0.000 5.083) 14.293 11.130 ( 1.629 0.000 9.156) 9.299 11.175 ( 4.763 0.000 15.807) 16.509 11.505 ( -23.181 0.000 7.351) 24.319 12.185 ( 9.167 0.000 -1.538) 9.295 12.189 ( 10.260 0.000 -4.094) 11.047 12.422 ( 0.163 0.000 3.985) 3.988 12.530 ( 3.475 0.000 -7.654) 8.406 12.566 ( 9.312 0.000 -6.218) 11.197 12.838 ( -13.290 0.000 -3.578) 13.764 13.183 ( 3.677 0.000 -6.627) 7.579 13.327 ( -2.438 0.000 -1.258) 2.743 13.548 ( -0.072 0.000 2.251) 2.252 13.617 ( -5.858 0.000 -6.590) 8.817 14.310 ( 10.500 0.000 -6.726) 12.470 14.545 ( -13.238 0.000 -10.953) 17.182 15.276 ( 25.707 0.000 0.111) 25.707 15.728 ( -17.348 0.000 -6.788) 18.629 16.410 ( 9.558 0.000 10.831) 14.445 16.727 ( -24.625 0.000 3.672) 24.898 17.101 ( 0.523 0.000 -2.151) 2.213 17.216 ( -12.640 0.000 -3.671) 13.162 17.670 ( 0.283 0.000 6.663) 6.669 17.746 ( -7.949 0.000 1.362) 8.065 18.262 ( -4.546 0.000 -1.875) 4.917 18.293 ( -8.187 0.000 -3.096) 8.753 20.188 ( 0.891 0.000 3.365) 3.481 20.242 ( -4.592 0.000 2.316) 5.143 20.801 ( 1.926 0.000 -2.303) 3.002 20.866 ( -4.866 0.000 -3.844) 6.202 22.177 ( 5.204 0.000 2.200) 5.650 22.188 ( 3.506 0.000 2.094) 4.084 22.396 ( 8.011 0.000 2.305) 8.336 22.559 ( -8.725 0.000 -1.253) 8.814 22.728 ( 2.446 0.000 2.373) 3.408 22.799 ( -4.414 0.000 0.404) 4.432 23.951 ( 8.138 0.000 -3.208) 8.747 23.981 ( 6.880 0.000 -5.524) 8.823 24.316 ( 0.406 0.000 7.392) 7.403 24.426 ( -9.040 0.000 3.435) 9.671 25.805 ( 8.624 0.000 0.530) 8.640 25.938 ( -4.597 0.000 -1.991) 5.010 26.103 ( 3.127 0.000 -2.525) 4.019 26.120 ( 1.306 0.000 -3.908) 4.121 27.010 ( 4.035 0.000 1.729) 4.390 27.027 ( 2.088 0.000 2.026) 2.910 27.779 ( 4.408 0.000 0.531) 4.440 27.884 ( -6.270 0.000 -1.501) 6.448 29.507 ( 2.845 0.000 3.040) 4.164 29.564 ( -3.158 0.000 3.019) 4.368 30.408 ( 7.357 0.000 -7.949) 10.831 30.533 ( -5.647 0.000 -8.535) 10.234 32.257 ( 5.260 0.000 8.603) 10.083 32.374 ( -6.663 0.000 5.833) 8.856 33.062 ( 5.161 0.000 -0.969) 5.251 33.187 ( -7.556 0.000 -2.981) 8.123 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 24.415 26.118) 35.753 1.326 ( 0.000 24.926 29.181) 38.377 2.045 ( 0.000 26.952 22.511) 35.116 2.354 ( 0.000 1.927 14.902) 15.026 2.402 ( 0.000 0.741 -7.563) 7.599 2.631 ( 0.000 8.104 9.894) 12.789 3.136 ( 0.000 5.880 3.602) 6.896 3.245 ( 0.000 -1.585 2.982) 3.378 3.430 ( 0.000 -1.999 -0.819) 2.160 3.484 ( 0.000 3.447 -0.049) 3.448 3.753 ( 0.000 -0.639 -7.801) 7.827 3.910 ( 0.000 -0.429 -5.402) 5.419 4.049 ( 0.000 1.856 12.314) 12.453 4.466 ( 0.000 -2.669 26.108) 26.244 4.676 ( 0.000 2.680 3.180) 4.158 5.296 ( 0.000 18.260 1.006) 18.288 5.397 ( 0.000 13.001 -1.658) 13.106 5.888 ( 0.000 -6.040 -10.501) 12.114 6.107 ( 0.000 0.007 -18.077) 18.077 6.799 ( 0.000 -14.281 10.679) 17.832 6.828 ( 0.000 2.898 -6.631) 7.237 7.233 ( 0.000 -15.274 -8.158) 17.316 7.788 ( 0.000 -23.411 -8.013) 24.744 7.956 ( 0.000 -1.309 12.964) 13.030 8.387 ( 0.000 -17.296 0.318) 17.299 8.635 ( 0.000 -13.536 12.130) 18.176 8.987 ( 0.000 -10.873 -24.687) 26.975 9.063 ( 0.000 -4.680 3.216) 5.678 9.353 ( 0.000 -3.241 -9.687) 10.215 9.366 ( 0.000 -5.062 -21.442) 22.031 9.888 ( 0.000 3.860 9.483) 10.238 10.025 ( 0.000 7.664 -1.108) 7.743 10.228 ( 0.000 10.017 -4.318) 10.907 10.346 ( 0.000 13.177 16.044) 20.761 10.840 ( 0.000 4.375 -2.594) 5.086 10.931 ( 0.000 2.738 4.813) 5.537 11.020 ( 0.000 -26.076 1.967) 26.151 11.178 ( 0.000 4.384 3.498) 5.609 11.346 ( 0.000 10.593 5.927) 12.138 11.585 ( 0.000 -4.819 3.698) 6.074 12.177 ( 0.000 -1.451 -1.025) 1.777 12.199 ( 0.000 10.595 -5.618) 11.992 12.542 ( 0.000 7.684 7.490) 10.730 12.720 ( 0.000 14.569 1.318) 14.629 13.157 ( 0.000 -2.885 -3.814) 4.782 13.417 ( 0.000 -5.743 -4.123) 7.070 13.511 ( 0.000 1.849 -21.646) 21.724 14.021 ( 0.000 2.669 5.075) 5.734 14.329 ( 0.000 1.275 -1.383) 1.880 14.950 ( 0.000 -4.071 -9.662) 10.485 15.658 ( 0.000 -13.709 9.238) 16.531 16.046 ( 0.000 -15.794 13.404) 20.715 16.540 ( 0.000 8.020 13.157) 15.408 16.914 ( 0.000 -1.474 16.767) 16.832 17.342 ( 0.000 -2.115 10.502) 10.712 18.149 ( 0.000 2.474 -18.424) 18.590 18.278 ( 0.000 0.025 -13.559) 13.559 18.521 ( 0.000 1.154 -15.891) 15.933 19.570 ( 0.000 -11.382 -0.617) 11.399 19.945 ( 0.000 4.705 -1.984) 5.107 20.558 ( 0.000 0.515 0.633) 0.816 20.663 ( 0.000 0.126 -2.136) 2.139 20.774 ( 0.000 0.861 10.708) 10.743 21.163 ( 0.000 -4.642 -4.364) 6.371 21.491 ( 0.000 10.667 3.507) 11.228 21.870 ( 0.000 11.231 -3.642) 11.807 21.924 ( 0.000 0.217 10.329) 10.331 22.806 ( 0.000 -0.405 -9.439) 9.448 22.937 ( 0.000 0.022 0.201) 0.202 22.954 ( 0.000 0.047 -0.178) 0.184 23.224 ( 0.000 -0.337 0.213) 0.399 23.249 ( 0.000 1.064 -0.396) 1.135 23.653 ( 0.000 -39.383 49.731) 63.437 24.583 ( 0.000 -3.179 11.462) 11.895 25.170 ( 0.000 -2.950 -12.622) 12.962 25.255 ( 0.000 0.254 1.710) 1.728 25.316 ( 0.000 -0.404 0.196) 0.449 25.888 ( 0.000 0.321 -21.289) 21.291 26.409 ( 0.000 0.062 4.994) 4.994 26.653 ( 0.000 -0.151 0.904) 0.917 27.798 ( 0.000 -4.882 12.791) 13.691 28.635 ( 0.000 1.829 -14.294) 14.411 29.308 ( 0.000 -0.223 0.155) 0.272 29.324 ( 0.000 -0.392 -0.184) 0.433 30.087 ( 0.000 13.843 7.340) 15.669 31.234 ( 0.000 20.867 -28.870) 35.622 32.423 ( 0.000 -8.771 15.400) 17.722 32.872 ( 0.000 -0.816 4.723) 4.793 33.598 ( 0.000 13.705 -18.078) 22.685 33.751 ( 0.000 16.643 -18.633) 24.984 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 17.044 18.075 24.176) 34.665 1.625 ( 25.632 17.160 19.559) 36.524 2.188 ( 13.830 11.704 6.407) 19.217 2.422 ( 4.588 3.832 4.891) 7.724 2.461 ( 8.825 5.071 7.812) 12.830 2.657 ( 3.567 8.154 8.535) 12.332 3.094 ( -2.556 3.579 2.881) 5.258 3.326 ( 6.843 -0.160 2.425) 7.262 3.425 ( -0.393 2.742 -1.531) 3.165 3.507 ( 1.807 2.019 1.034) 2.900 3.737 ( -0.707 0.111 -6.541) 6.580 3.919 ( 1.573 -0.787 -5.203) 5.492 4.296 ( 16.517 4.907 11.322) 20.617 4.658 ( 22.565 -6.102 19.698) 30.569 4.777 ( 9.199 3.133 0.972) 9.767 5.297 ( 5.267 19.105 10.612) 22.480 5.478 ( 10.221 13.348 0.709) 16.827 6.040 ( 7.062 0.406 -9.523) 11.863 6.185 ( 12.938 -1.035 -19.064) 23.063 6.700 ( -4.950 -12.797 6.099) 15.016 7.084 ( 19.151 -4.507 -8.888) 21.588 7.408 ( 14.463 -16.046 -9.773) 23.709 7.769 ( 0.746 -22.799 -7.965) 24.161 8.151 ( 16.409 -0.782 10.685) 19.597 8.414 ( 1.569 -16.462 2.822) 16.776 8.660 ( 3.548 -15.297 13.332) 20.599 9.020 ( 3.640 -11.066 -17.021) 20.626 9.109 ( 4.004 -5.107 -1.154) 6.591 9.372 ( 5.606 1.247 -19.368) 20.201 9.501 ( 9.984 -5.341 -12.699) 17.014 9.885 ( 0.121 1.588 8.306) 8.457 10.095 ( 1.889 12.168 5.364) 13.431 10.191 ( 3.722 7.088 -2.906) 8.517 10.413 ( 4.967 14.684 5.720) 16.522 10.731 ( -7.111 7.159 -0.342) 10.096 10.991 ( 1.860 -15.830 8.529) 18.077 11.081 ( 9.797 -7.335 0.777) 12.263 11.281 ( 7.533 -1.496 6.132) 9.827 11.412 ( 7.030 9.161 1.533) 11.649 11.698 ( 6.632 -2.941 2.023) 7.531 11.803 ( -18.263 3.169 -8.188) 20.264 12.288 ( 3.728 10.236 7.081) 12.993 12.637 ( -2.077 11.214 9.004) 14.531 12.842 ( 17.123 7.254 -3.273) 18.883 13.133 ( -5.859 -3.402 -9.385) 11.575 13.394 ( 9.628 -4.667 -8.518) 13.676 13.745 ( 8.694 4.966 -15.219) 18.217 14.024 ( 0.374 0.654 4.832) 4.891 14.356 ( 2.000 3.252 -1.296) 4.031 14.823 ( -9.589 -5.134 -1.614) 10.996 15.459 ( -21.542 -6.199 7.562) 23.657 15.922 ( -7.617 -16.465 10.995) 21.214 16.346 ( -9.794 2.398 10.740) 14.732 17.131 ( 8.384 -2.471 13.063) 15.718 17.352 ( 4.629 -1.037 10.942) 11.926 17.935 ( -15.464 -0.379 -17.030) 23.007 18.296 ( -4.186 0.069 -8.476) 9.454 18.430 ( -9.160 1.147 -12.854) 15.825 19.345 ( -21.581 -11.586 1.535) 24.542 19.699 ( -21.593 4.125 -2.954) 22.181 20.423 ( -8.827 -0.061 2.507) 9.176 20.638 ( -0.899 3.926 -3.197) 5.142 20.933 ( 0.745 0.290 2.138) 2.283 21.175 ( 4.365 -2.306 -4.378) 6.599 21.541 ( 6.113 9.005 5.082) 12.012 21.880 ( 2.600 9.374 -0.730) 9.755 21.983 ( 5.212 1.599 9.404) 10.870 22.827 ( -0.213 -0.248 -5.866) 5.876 22.839 ( -4.754 0.275 4.745) 6.722 22.940 ( 0.145 0.007 -0.215) 0.260 23.263 ( 7.328 -0.338 2.619) 7.789 23.309 ( 6.532 0.815 0.247) 6.587 24.228 ( 33.077 -31.949 10.834) 47.246 24.587 ( 4.641 -11.572 13.641) 18.481 25.008 ( -7.344 -2.515 -4.651) 9.050 25.445 ( 12.318 -0.907 -0.364) 12.357 25.475 ( 13.401 -2.397 -3.862) 14.151 25.936 ( 4.596 -0.670 -19.423) 19.970 26.441 ( 3.591 -1.988 4.928) 6.414 26.657 ( 0.685 -2.222 1.857) 2.975 27.772 ( -2.240 -2.848 11.331) 11.896 28.487 ( -11.531 4.730 -8.886) 15.307 29.351 ( 3.129 0.294 0.450) 3.175 29.481 ( 13.163 -3.396 -4.447) 14.303 30.084 ( -0.081 12.557 6.452) 14.117 31.166 ( -6.876 21.742 -26.347) 34.845 32.343 ( -7.573 -5.562 17.833) 20.157 32.794 ( -7.295 2.026 3.493) 8.338 33.370 ( -17.650 22.289 -9.164) 29.871 33.649 ( -5.571 6.064 -6.109) 10.253 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 14.316 5.545 16.759) 22.728 2.017 ( 17.274 16.201 10.428) 25.877 2.383 ( 5.246 -2.104 4.977) 7.531 2.526 ( 7.812 -0.625 0.897) 7.888 2.715 ( 8.677 4.085 3.778) 10.308 2.777 ( 10.220 9.173 4.630) 14.492 3.075 ( 1.087 1.308 2.505) 3.028 3.430 ( 2.421 3.081 -1.058) 4.059 3.480 ( 6.687 3.928 0.391) 7.765 3.531 ( 1.723 3.954 0.845) 4.395 3.730 ( -0.151 0.032 -5.913) 5.915 3.966 ( 2.756 -1.331 -5.448) 6.249 4.603 ( 17.929 5.645 15.797) 24.553 4.917 ( 8.815 6.242 0.726) 10.826 5.166 ( 20.730 -2.591 9.065) 22.774 5.460 ( 8.690 15.801 -4.899) 18.686 5.942 ( 23.906 3.288 -1.242) 24.163 6.208 ( 22.613 13.528 13.725) 29.711 6.421 ( 5.857 2.558 -6.246) 8.936 6.728 ( 10.888 -8.127 -5.655) 14.716 7.458 ( 17.748 -13.647 -11.040) 24.962 7.622 ( 6.449 -16.977 -9.974) 20.719 7.882 ( 11.393 -13.457 -9.229) 19.901 8.342 ( -0.191 -8.626 5.751) 10.369 8.565 ( 15.829 -7.742 4.851) 18.277 8.797 ( 10.864 -15.633 14.921) 24.188 9.077 ( 1.210 -12.182 -3.073) 12.622 9.238 ( 9.579 -9.754 -6.887) 15.308 9.575 ( 14.757 0.947 -20.500) 25.277 9.683 ( 6.744 1.916 -5.426) 8.865 9.892 ( 1.677 -2.285 2.011) 3.475 10.103 ( 0.821 8.212 4.171) 9.247 10.369 ( 8.673 9.283 -1.465) 12.788 10.515 ( 5.157 13.675 2.756) 14.873 10.685 ( 8.064 2.524 2.938) 8.946 11.030 ( 1.261 -4.932 11.871) 12.917 11.218 ( -1.288 -6.184 0.174) 6.319 11.465 ( -1.370 -1.112 1.407) 2.257 11.546 ( 16.027 -3.924 -5.022) 17.248 11.586 ( 12.562 7.326 4.376) 15.187 11.955 ( 12.869 1.707 -2.300) 13.184 12.394 ( 7.184 2.320 11.270) 13.565 12.661 ( 5.337 13.141 0.826) 14.207 12.983 ( -5.684 2.505 -6.740) 9.166 13.165 ( 11.120 4.845 -1.002) 12.171 13.581 ( 5.867 -1.250 -18.208) 19.171 13.770 ( -3.783 12.231 -2.157) 12.983 14.032 ( -1.843 -3.990 3.967) 5.920 14.300 ( -7.289 12.005 2.889) 14.339 14.727 ( -1.463 -13.027 1.137) 13.158 14.976 ( -21.282 -0.172 3.371) 21.548 15.831 ( -2.433 -16.660 -0.406) 16.842 16.236 ( -2.368 -1.450 8.487) 8.930 17.120 ( -5.303 -6.827 5.826) 10.425 17.443 ( -5.214 -6.127 1.347) 8.158 17.663 ( -7.526 1.165 -2.090) 7.897 18.094 ( -17.212 -0.056 -2.217) 17.354 18.203 ( -13.044 0.206 -8.541) 15.592 18.841 ( -27.792 -10.952 2.307) 29.961 19.181 ( -30.475 2.504 -3.753) 30.807 20.300 ( -4.507 1.791 1.774) 5.164 20.545 ( -8.133 3.944 -3.313) 9.627 20.877 ( -2.438 3.203 0.395) 4.044 21.186 ( -4.385 3.902 -6.275) 8.592 21.758 ( 14.601 4.817 5.478) 16.322 21.986 ( 7.680 6.735 1.030) 10.267 22.109 ( 7.712 2.375 8.726) 11.885 22.752 ( -2.821 0.562 6.689) 7.281 22.821 ( -2.837 0.578 -5.850) 6.528 22.933 ( -1.180 0.220 -1.715) 2.093 23.470 ( 13.354 -0.208 0.732) 13.376 23.494 ( 12.167 0.288 0.265) 12.174 24.411 ( -1.648 -1.080 3.682) 4.176 24.728 ( -3.919 -4.444 -1.945) 6.236 25.136 ( 21.315 -23.883 5.154) 32.424 25.709 ( 13.788 -2.427 -3.155) 14.351 25.722 ( 11.505 -4.243 -2.503) 12.515 26.036 ( 4.819 -1.224 -14.290) 15.130 26.551 ( 7.677 -7.638 4.069) 11.568 26.689 ( 2.791 -7.306 3.146) 8.430 27.736 ( -0.969 0.121 7.706) 7.768 28.270 ( -10.660 4.521 -5.141) 12.669 29.431 ( 4.994 2.902 1.699) 6.020 29.703 ( 8.242 1.753 -3.764) 9.229 30.104 ( 3.058 6.088 2.243) 7.173 30.989 ( -10.731 19.526 -19.124) 29.363 32.207 ( -4.646 -1.020 17.280) 17.923 32.645 ( -7.486 2.230 2.470) 8.192 33.137 ( -7.042 11.764 0.795) 13.734 33.525 ( -7.491 3.666 -5.247) 9.853 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 7.887 0.728 11.105) 13.641 2.231 ( 3.355 3.576 2.553) 5.528 2.533 ( 11.535 6.403 6.349) 14.641 2.671 ( 6.391 -1.487 2.124) 6.896 2.787 ( 1.354 3.496 3.824) 5.355 2.913 ( 2.289 2.563 -0.834) 3.536 3.142 ( 5.482 0.418 2.913) 6.222 3.461 ( -1.837 2.685 0.756) 3.340 3.526 ( 3.832 0.929 -0.369) 3.960 3.667 ( 6.967 5.157 -1.299) 8.765 3.736 ( 1.915 1.197 -6.952) 7.310 3.995 ( -0.272 -1.418 -5.742) 5.921 4.997 ( 21.457 3.837 11.315) 24.560 5.154 ( 16.712 6.284 2.732) 18.063 5.446 ( 9.264 7.319 6.258) 13.362 5.654 ( 10.981 8.893 -6.662) 15.622 6.050 ( -1.922 1.271 0.461) 2.350 6.352 ( -3.745 7.870 -5.877) 10.512 6.783 ( 9.412 0.696 -3.098) 9.933 6.986 ( 8.254 1.679 1.094) 8.494 7.688 ( 12.582 -14.197 -7.524) 20.408 7.904 ( 20.978 -7.268 2.984) 22.401 8.114 ( 11.854 -1.919 -8.912) 14.955 8.415 ( 11.468 -13.093 2.852) 17.637 8.777 ( 5.558 -11.817 2.497) 13.295 8.967 ( 3.374 -1.447 -5.500) 6.612 9.154 ( 8.390 -15.796 5.909) 18.837 9.396 ( 4.387 -14.199 -4.125) 15.423 9.662 ( -4.918 0.242 -4.888) 6.938 9.880 ( 8.494 -9.319 -5.865) 13.907 9.967 ( 10.429 3.929 2.125) 11.346 10.177 ( 8.685 -0.324 6.140) 10.641 10.450 ( 5.563 2.647 7.628) 9.805 10.762 ( 14.254 7.276 6.236) 17.176 10.922 ( 7.675 5.562 -1.940) 9.675 11.027 ( 2.777 11.025 3.134) 11.794 11.184 ( 3.825 2.055 -0.291) 4.352 11.635 ( 12.444 -6.586 11.642) 18.270 11.693 ( 7.195 3.793 1.359) 8.246 11.921 ( 9.543 -12.330 0.477) 15.599 12.292 ( 22.696 5.564 -8.024) 24.708 12.540 ( 4.833 2.012 6.743) 8.537 12.702 ( -4.290 5.901 2.792) 7.812 12.931 ( 5.383 12.289 -6.215) 14.786 13.284 ( -2.344 4.416 -7.976) 9.413 13.526 ( -5.272 13.311 -3.638) 14.772 13.742 ( -2.454 2.023 -6.264) 7.025 13.853 ( -12.447 8.642 -0.040) 15.153 14.187 ( -2.920 1.250 4.852) 5.799 14.665 ( -4.574 -8.850 -3.803) 10.663 14.876 ( 9.821 -1.064 -0.793) 9.911 15.805 ( -1.349 -11.856 -8.494) 14.647 16.233 ( 1.551 -4.668 9.722) 10.895 16.963 ( -12.934 -12.525 -2.804) 18.222 17.177 ( -14.754 -5.198 -0.841) 15.666 17.527 ( -18.786 -5.332 2.220) 19.653 17.709 ( -12.833 -0.830 7.123) 14.701 17.949 ( -13.510 -0.402 -4.254) 14.170 18.408 ( -15.217 -5.810 0.764) 16.307 18.634 ( -23.583 1.493 -2.834) 23.799 20.233 ( -2.542 3.126 1.824) 4.423 20.382 ( -7.680 2.357 -0.308) 8.040 20.861 ( 0.370 6.607 -1.480) 6.781 21.069 ( -6.648 6.581 -5.374) 10.788 22.023 ( 12.069 2.418 3.265) 12.734 22.138 ( 7.250 4.938 1.533) 8.905 22.266 ( 8.153 2.694 6.626) 10.846 22.712 ( -3.665 0.457 1.008) 3.829 22.731 ( -3.821 1.153 0.680) 4.048 22.889 ( -3.265 0.999 -1.218) 3.625 23.735 ( 12.968 -0.376 -0.916) 13.006 23.752 ( 14.214 -0.003 -1.769) 14.323 24.358 ( -3.254 -0.311 5.233) 6.170 24.594 ( -8.348 -0.464 -0.639) 8.385 25.508 ( 16.238 -11.635 2.837) 20.176 25.884 ( 5.496 -5.607 -2.740) 8.316 25.948 ( 9.702 -1.810 -3.444) 10.453 26.096 ( 1.474 -0.229 -7.625) 7.770 26.707 ( 7.310 -13.666 2.491) 15.697 26.761 ( 4.312 -12.484 2.986) 13.541 27.746 ( 2.060 1.616 3.770) 4.589 28.081 ( -8.920 3.099 -3.334) 10.014 29.534 ( 5.519 6.763 2.944) 9.212 29.772 ( -0.367 11.965 1.771) 12.101 30.221 ( 8.547 -1.701 -4.631) 9.869 30.782 ( -10.495 12.399 -13.078) 20.855 32.183 ( 1.679 -0.302 12.322) 12.439 32.507 ( -7.062 0.419 3.572) 7.925 33.066 ( -0.746 6.123 0.524) 6.191 33.369 ( -8.430 2.625 -4.458) 9.891 ======================= Grid point 76 (30/60) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 4.899 -0.476 7.283) 8.790 2.225 ( -2.495 -0.269 4.646) 5.280 2.712 ( 5.015 3.510 0.954) 6.195 2.761 ( 1.881 2.113 1.523) 3.213 2.813 ( 3.250 2.873 3.756) 5.738 2.897 ( -3.076 2.541 0.434) 4.013 3.261 ( 6.393 0.838 2.558) 6.937 3.383 ( -5.328 1.862 1.984) 5.983 3.622 ( 4.893 0.613 -1.219) 5.080 3.689 ( -1.880 0.485 -1.203) 2.284 3.843 ( 5.727 1.406 -7.647) 9.657 3.956 ( -3.309 -0.194 -6.123) 6.963 5.345 ( 13.563 4.396 1.354) 14.322 5.457 ( 5.424 2.932 1.786) 6.419 5.620 ( 13.098 4.037 4.721) 14.496 5.818 ( 4.364 2.501 3.086) 5.901 5.989 ( -0.487 10.104 3.124) 10.587 6.189 ( -13.633 15.201 -4.890) 20.996 6.835 ( 0.539 -0.534 -7.492) 7.530 6.939 ( -5.476 -4.493 -2.313) 7.451 7.948 ( 10.164 -6.997 -10.209) 16.015 8.158 ( 7.968 -2.879 1.179) 8.554 8.324 ( 7.758 -1.913 -4.405) 9.124 8.515 ( -8.708 -15.748 -0.064) 17.995 8.931 ( 10.512 -9.919 -0.525) 14.463 9.021 ( 2.707 -1.647 -1.010) 3.325 9.238 ( 0.246 -5.552 1.674) 5.805 9.320 ( -8.844 -11.098 -11.044) 17.982 9.778 ( 14.964 -8.506 -4.737) 17.853 10.005 ( 2.778 -5.991 5.092) 8.339 10.240 ( 16.417 -5.763 7.091) 18.789 10.362 ( 8.579 1.906 14.273) 16.762 10.525 ( 1.607 -3.020 6.830) 7.639 10.849 ( -5.440 10.788 0.592) 12.097 11.006 ( 3.315 0.839 13.636) 14.058 11.080 ( -1.996 9.020 11.009) 14.372 11.290 ( 3.257 -4.294 -7.895) 9.559 11.719 ( -5.476 18.243 12.369) 22.711 11.875 ( 8.698 -15.538 5.584) 18.662 12.094 ( 9.420 -3.961 -0.069) 10.219 12.354 ( 3.013 -0.194 7.503) 8.088 12.655 ( -3.367 5.166 0.594) 6.195 12.833 ( 7.789 13.509 -15.498) 21.985 12.986 ( -5.713 7.458 -15.436) 18.070 13.192 ( 10.290 2.927 -7.621) 13.135 13.479 ( -7.784 9.796 -6.651) 14.170 13.637 ( -3.733 6.987 1.405) 8.045 13.675 ( -4.501 10.911 2.943) 12.165 14.283 ( 10.500 -2.182 -6.776) 12.685 14.508 ( -10.573 -3.264 -9.880) 14.834 15.252 ( 25.818 -2.051 1.288) 25.932 15.689 ( -14.298 -3.908 -5.867) 15.942 16.296 ( 6.081 -10.083 9.109) 14.886 16.564 ( -22.653 -13.945 2.392) 26.709 17.024 ( -0.997 -7.090 -2.678) 7.644 17.152 ( -13.009 -5.382 -2.209) 14.250 17.609 ( -0.620 -4.675 6.271) 7.846 17.713 ( -9.410 -3.372 1.188) 10.066 18.241 ( -3.429 -1.186 -0.633) 3.683 18.335 ( -7.614 1.330 -0.988) 7.792 20.205 ( -0.402 2.342 1.581) 2.854 20.273 ( -3.336 3.340 1.919) 5.095 20.886 ( 2.373 7.499 -2.805) 8.351 20.956 ( -4.823 7.535 -4.027) 9.811 22.202 ( 5.827 2.139 1.827) 6.470 22.239 ( 2.680 3.738 1.966) 5.002 22.412 ( 7.341 1.794 3.430) 8.300 22.567 ( -8.579 0.682 -0.233) 8.610 22.740 ( 2.364 1.307 2.577) 3.733 22.816 ( -4.005 1.741 0.761) 4.433 23.945 ( 7.975 -0.458 -3.386) 8.676 23.979 ( 6.904 -0.206 -5.542) 8.856 24.314 ( 0.442 -0.208 7.380) 7.396 24.423 ( -8.954 -0.230 3.338) 9.559 25.763 ( 10.415 -4.242 0.772) 11.272 25.905 ( -3.587 -3.179 -1.623) 5.060 26.072 ( 3.361 -2.126 -3.304) 5.170 26.116 ( 0.724 -0.821 -3.370) 3.544 26.803 ( 2.577 -16.542 1.797) 16.838 26.832 ( 2.246 -15.565 2.028) 15.856 27.813 ( 4.818 2.056 0.623) 5.276 27.928 ( -6.984 2.336 -1.609) 7.538 29.637 ( 5.105 10.820 3.708) 12.526 29.725 ( -3.852 13.477 3.692) 14.494 30.401 ( 9.693 -0.319 -7.778) 12.432 30.588 ( -9.787 5.070 -9.867) 14.794 32.254 ( 5.269 -0.283 8.480) 9.988 32.372 ( -6.799 -0.189 5.776) 8.923 33.100 ( 4.145 3.478 -1.530) 5.623 33.214 ( -7.334 2.450 -3.264) 8.393 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 14.315 15.266) 20.928 1.767 ( 0.000 26.479 9.587) 28.161 2.159 ( 0.000 -2.958 5.250) 6.026 2.416 ( 0.000 0.476 -6.360) 6.378 2.652 ( 0.000 13.773 10.123) 17.092 2.958 ( 0.000 19.940 3.903) 20.319 3.187 ( 0.000 -3.656 3.782) 5.260 3.266 ( 0.000 6.890 2.628) 7.374 3.409 ( 0.000 -0.065 -1.388) 1.390 3.583 ( 0.000 5.089 -1.549) 5.319 3.751 ( 0.000 0.656 -5.795) 5.832 3.905 ( 0.000 0.315 -5.875) 5.883 4.100 ( 0.000 3.075 13.953) 14.288 4.583 ( 0.000 11.026 22.066) 24.667 4.816 ( 0.000 10.238 4.206) 11.068 5.379 ( 0.000 -11.563 -4.091) 12.266 5.646 ( 0.000 9.960 0.002) 9.960 6.037 ( 0.000 17.455 0.732) 17.470 6.084 ( 0.000 1.990 1.761) 2.658 6.595 ( 0.000 1.359 6.797) 6.931 6.679 ( 0.000 -27.983 -7.663) 29.013 7.057 ( 0.000 13.987 -23.458) 27.312 7.244 ( 0.000 -27.429 -0.749) 27.439 7.859 ( 0.000 -22.259 7.593) 23.519 8.116 ( 0.000 2.776 8.338) 8.788 8.417 ( 0.000 -7.887 3.971) 8.830 8.651 ( 0.000 -16.399 -6.510) 17.644 8.940 ( 0.000 -7.359 4.150) 8.448 9.170 ( 0.000 -11.896 2.819) 12.225 9.344 ( 0.000 -9.888 -17.055) 19.714 9.973 ( 0.000 6.066 3.309) 6.910 10.151 ( 0.000 -24.014 3.124) 24.217 10.226 ( 0.000 8.882 -4.839) 10.115 10.395 ( 0.000 5.524 -5.861) 8.054 10.769 ( 0.000 0.807 -2.735) 2.851 10.994 ( 0.000 5.838 8.486) 10.300 11.046 ( 0.000 7.651 6.223) 9.862 11.345 ( 0.000 11.403 0.364) 11.408 11.574 ( 0.000 10.646 3.863) 11.325 11.576 ( 0.000 8.015 3.889) 8.909 12.132 ( 0.000 -2.974 -1.183) 3.200 12.320 ( 0.000 0.921 -21.591) 21.611 12.728 ( 0.000 7.740 11.788) 14.102 13.007 ( 0.000 10.797 -5.769) 12.241 13.080 ( 0.000 -4.106 -4.014) 5.742 13.260 ( 0.000 -9.035 -3.511) 9.693 13.403 ( 0.000 -7.097 -14.548) 16.187 13.990 ( 0.000 -9.647 -4.761) 10.758 14.392 ( 0.000 11.689 5.201) 12.794 15.043 ( 0.000 6.017 -10.939) 12.484 15.305 ( 0.000 -14.749 14.788) 20.886 15.771 ( 0.000 -11.767 7.407) 13.904 16.650 ( 0.000 0.310 20.651) 20.653 16.878 ( 0.000 -1.843 17.289) 17.387 17.360 ( 0.000 6.616 9.467) 11.550 18.186 ( 0.000 -2.588 -9.213) 9.570 18.278 ( 0.000 0.030 -13.872) 13.873 18.563 ( 0.000 2.694 -16.956) 17.169 19.374 ( 0.000 -5.348 -10.800) 12.052 19.975 ( 0.000 -1.982 -10.216) 10.406 20.569 ( 0.000 0.485 0.362) 0.605 20.668 ( 0.000 0.332 -2.511) 2.533 20.828 ( 0.000 3.398 8.078) 8.763 21.075 ( 0.000 -2.961 -1.756) 3.442 21.719 ( 0.000 10.357 8.222) 13.224 21.930 ( 0.000 0.293 10.844) 10.848 22.082 ( 0.000 8.460 -0.573) 8.479 22.795 ( 0.000 -0.566 -8.706) 8.724 22.937 ( 0.000 0.030 0.220) 0.222 22.955 ( 0.000 0.048 -0.179) 0.186 23.202 ( 0.000 -10.465 37.707) 39.132 23.216 ( 0.000 -0.367 0.525) 0.641 23.275 ( 0.000 1.281 -0.839) 1.531 24.558 ( 0.000 -0.468 9.315) 9.327 25.094 ( 0.000 -4.026 -13.802) 14.378 25.258 ( 0.000 0.029 1.298) 1.299 25.309 ( 0.000 -0.199 0.197) 0.280 25.786 ( 0.000 -6.439 -19.794) 20.814 26.432 ( 0.000 1.952 4.473) 4.880 26.613 ( 0.000 -2.983 3.667) 4.726 27.764 ( 0.000 -0.363 9.467) 9.474 28.551 ( 0.000 -6.366 -7.377) 9.744 29.303 ( 0.000 -0.235 0.099) 0.255 29.314 ( 0.000 -0.538 -0.135) 0.555 30.387 ( 0.000 13.424 6.095) 14.743 31.457 ( 0.000 4.342 -21.773) 22.202 32.329 ( 0.000 -1.806 17.126) 17.221 32.849 ( 0.000 -1.186 5.636) 5.760 33.734 ( 0.000 5.192 -9.249) 10.606 34.005 ( 0.000 5.478 -20.450) 21.171 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 5.294 10.714 14.422) 18.730 1.998 ( 18.215 18.134 7.189) 26.689 2.207 ( 4.424 -3.500 4.874) 7.455 2.447 ( 2.659 0.551 -2.988) 4.038 2.700 ( 5.119 10.414 7.731) 13.943 2.965 ( 0.812 14.690 3.362) 15.092 3.146 ( -4.176 0.508 1.094) 4.346 3.364 ( 10.726 5.748 2.625) 12.449 3.482 ( 4.630 2.849 -0.848) 5.503 3.587 ( 1.188 4.947 -0.979) 5.182 3.743 ( -0.520 0.667 -5.359) 5.425 3.906 ( 0.730 -0.365 -5.338) 5.400 4.452 ( 26.839 9.545 10.519) 30.366 4.667 ( 13.098 6.588 16.988) 22.440 4.942 ( 11.257 11.797 2.349) 16.474 5.503 ( 14.406 -7.034 4.486) 16.647 5.752 ( 9.096 14.967 0.742) 17.530 5.998 ( 3.693 -6.274 -5.011) 8.838 6.291 ( 13.335 16.617 6.090) 22.159 6.563 ( 1.607 1.826 2.766) 3.683 6.869 ( 16.007 -23.544 -6.675) 29.242 7.132 ( 4.896 -3.996 -14.033) 15.391 7.305 ( 9.267 -11.858 -6.933) 16.569 7.957 ( 7.584 -22.916 5.663) 24.794 8.227 ( 9.582 -1.491 5.080) 10.947 8.435 ( 3.369 -4.035 7.044) 8.789 8.677 ( 3.263 -16.258 -3.247) 16.897 8.979 ( 3.576 -6.514 2.327) 7.787 9.216 ( 3.441 -15.642 -7.440) 17.660 9.433 ( 9.246 -10.011 -4.641) 14.396 9.971 ( 0.328 8.545 -0.423) 8.562 10.176 ( 4.934 -19.037 0.835) 19.684 10.342 ( 6.452 2.529 -3.245) 7.652 10.439 ( 5.907 9.493 -2.083) 11.373 10.804 ( -3.013 0.701 0.024) 3.094 10.876 ( 1.529 6.027 -0.757) 6.264 11.126 ( 4.927 4.753 6.653) 9.546 11.399 ( 2.663 13.999 7.058) 15.902 11.590 ( 0.970 5.750 0.996) 5.916 11.662 ( 1.202 2.829 2.663) 4.067 11.874 ( -4.124 3.279 -5.558) 7.658 12.431 ( 0.074 2.938 -7.307) 7.876 12.802 ( 4.843 4.176 1.268) 6.519 13.022 ( 2.782 -2.579 -5.123) 6.374 13.064 ( 2.272 8.282 -4.826) 9.851 13.313 ( 12.018 -3.226 -7.990) 14.788 13.691 ( 15.931 -7.674 -11.099) 20.878 14.021 ( 4.709 -9.098 -1.258) 10.321 14.363 ( -2.809 9.870 5.561) 11.671 14.942 ( -10.573 9.166 -6.524) 15.439 15.234 ( -8.054 -12.154 9.349) 17.320 15.640 ( -11.965 -10.450 8.907) 18.212 16.334 ( -17.223 -3.507 17.941) 25.116 17.045 ( 3.710 -5.465 15.587) 16.929 17.409 ( 4.006 6.826 7.986) 11.244 17.968 ( -16.337 2.316 -14.418) 21.912 18.267 ( -4.788 -4.186 -5.100) 8.152 18.476 ( -9.118 3.220 -15.155) 17.978 19.116 ( -24.247 -8.387 -3.298) 25.867 19.729 ( -22.540 -1.399 -8.675) 24.193 20.470 ( -6.552 3.755 1.504) 7.700 20.671 ( 0.286 -0.195 -6.595) 6.604 20.968 ( 2.940 2.915 2.219) 4.697 21.147 ( 9.272 -0.789 -2.662) 9.679 21.744 ( 3.636 9.933 8.763) 13.736 21.959 ( 3.093 0.504 9.079) 9.605 22.114 ( 3.718 7.842 2.403) 9.005 22.823 ( 1.444 -0.128 -6.985) 7.134 22.846 ( -4.646 0.477 7.073) 8.476 22.940 ( 0.158 0.023 0.100) 0.188 23.253 ( 8.079 -0.539 3.665) 8.888 23.329 ( 5.987 1.052 -0.108) 6.079 23.699 ( 36.507 -16.184 16.759) 43.308 24.519 ( -3.016 -0.833 8.851) 9.388 24.972 ( -8.319 -1.685 -7.574) 11.376 25.411 ( 11.521 -1.863 -3.297) 12.128 25.436 ( 11.267 -1.649 -1.735) 11.518 25.837 ( 5.048 -6.024 -17.031) 18.757 26.431 ( 0.057 0.785 4.427) 4.496 26.594 ( -1.790 -3.531 3.915) 5.567 27.756 ( -0.687 -0.015 8.482) 8.509 28.457 ( -8.424 -4.560 -6.071) 11.341 29.355 ( 4.738 0.076 0.498) 4.765 29.439 ( 12.144 -1.137 -1.540) 12.294 30.365 ( -2.286 12.903 5.975) 14.402 31.419 ( -4.253 5.466 -21.953) 23.019 32.281 ( -4.501 -1.199 17.439) 18.050 32.798 ( -5.131 -0.637 4.894) 7.119 33.636 ( -10.848 6.289 -9.623) 15.806 33.841 ( -12.554 8.785 -12.373) 19.694 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 6.458 4.511 12.696) 14.942 2.249 ( 2.959 1.937 3.699) 5.117 2.377 ( 16.327 5.195 4.799) 17.793 2.522 ( 5.581 0.182 0.730) 5.632 2.820 ( 5.826 6.210 4.578) 9.668 2.978 ( 0.200 7.177 1.235) 7.285 3.096 ( -0.047 0.524 2.130) 2.194 3.513 ( 2.968 4.405 -1.802) 5.610 3.558 ( 1.854 3.996 1.352) 4.608 3.663 ( 6.589 6.755 -0.197) 9.438 3.743 ( 1.342 1.863 -5.736) 6.178 3.931 ( 1.732 -2.028 -5.018) 5.682 4.795 ( 16.254 12.136 15.833) 25.733 5.055 ( 14.417 8.429 5.074) 17.454 5.267 ( 22.725 12.068 1.097) 25.754 5.771 ( 7.211 5.802 -2.143) 9.501 5.991 ( 12.460 3.869 -3.304) 13.459 6.253 ( 17.596 -4.307 -8.167) 19.871 6.542 ( 15.585 -6.849 4.187) 17.531 6.769 ( 22.909 22.463 13.632) 34.860 7.168 ( 10.949 -10.779 -4.573) 16.030 7.288 ( 15.315 -15.947 0.705) 22.121 7.603 ( 20.608 -5.317 -13.741) 25.333 8.073 ( 3.480 -15.084 0.379) 15.485 8.379 ( 8.119 -16.065 5.915) 18.947 8.572 ( 6.572 -5.145 3.009) 8.873 8.813 ( 11.731 -7.023 3.692) 14.162 9.077 ( 6.579 -5.032 -3.232) 8.891 9.275 ( 2.491 -22.138 -9.507) 24.221 9.648 ( 11.916 -8.706 4.215) 15.348 10.022 ( 5.818 6.983 1.429) 9.201 10.296 ( -8.577 4.046 -4.569) 10.526 10.369 ( 9.189 -17.137 0.151) 19.446 10.580 ( 1.140 3.028 -5.441) 6.330 10.686 ( 3.152 5.506 1.471) 6.512 11.078 ( 11.537 9.960 8.366) 17.386 11.264 ( 7.946 -7.091 -7.465) 13.006 11.420 ( 3.252 12.737 10.487) 16.816 11.555 ( 6.969 4.370 4.619) 9.434 11.789 ( 10.386 7.265 -0.230) 12.677 12.019 ( 10.869 5.795 -1.442) 12.401 12.440 ( 4.203 1.776 -1.176) 4.712 12.864 ( 0.944 5.673 -5.063) 7.662 13.022 ( 3.581 3.238 -7.927) 9.281 13.308 ( 12.346 5.670 -5.541) 14.672 13.515 ( 7.006 -4.189 -18.338) 20.073 13.885 ( 6.558 -5.107 3.385) 8.975 14.151 ( 1.521 15.286 5.514) 16.321 14.338 ( 4.340 -10.577 0.759) 11.458 14.623 ( -22.401 7.092 1.766) 23.564 14.994 ( -12.884 3.457 1.078) 13.383 15.466 ( -3.634 -16.724 5.749) 18.054 16.124 ( -5.234 -9.213 11.837) 15.887 17.000 ( -6.987 -4.532 8.596) 11.968 17.339 ( -14.473 -4.206 -1.943) 15.197 17.697 ( -10.027 2.669 -4.088) 11.152 18.107 ( -13.844 0.655 -2.782) 14.136 18.216 ( -16.220 1.934 -8.006) 18.192 18.592 ( -25.592 -11.885 3.428) 28.424 19.183 ( -32.074 -2.466 -5.046) 32.562 20.384 ( -3.205 5.211 -0.051) 6.118 20.591 ( -7.175 1.435 -5.450) 9.124 21.002 ( 1.664 7.671 -1.312) 7.958 21.251 ( 0.133 1.771 -5.962) 6.221 21.883 ( 9.743 6.391 7.121) 13.655 22.059 ( 7.378 1.235 6.090) 9.646 22.223 ( 7.108 6.756 6.429) 11.726 22.772 ( -2.372 1.329 6.978) 7.489 22.833 ( -2.293 0.560 -4.231) 4.845 22.942 ( -0.069 0.665 -1.655) 1.785 23.466 ( 13.347 -0.194 0.841) 13.375 23.500 ( 11.414 0.250 0.163) 11.418 24.343 ( 14.587 -7.590 2.560) 16.642 24.533 ( 14.134 -9.235 10.740) 20.010 24.840 ( -2.152 -4.965 -2.403) 5.921 25.609 ( 9.622 -4.623 -7.040) 12.787 25.704 ( 14.059 -0.548 -0.712) 14.088 25.958 ( 6.691 -5.194 -11.941) 14.640 26.439 ( 0.731 -3.028 4.207) 5.235 26.556 ( -1.854 -5.474 3.994) 7.025 27.748 ( 0.189 0.554 6.046) 6.074 28.275 ( -9.841 -2.411 -4.433) 11.060 29.481 ( 8.123 1.670 1.758) 8.478 29.721 ( 16.145 0.214 -3.392) 16.499 30.301 ( -4.218 10.959 5.396) 12.923 31.278 ( -10.657 8.345 -20.033) 24.177 32.194 ( -3.373 -0.252 16.277) 16.625 32.668 ( -7.898 0.247 3.652) 8.705 33.378 ( -12.539 9.383 -4.947) 16.424 33.628 ( -10.219 5.839 -6.659) 13.523 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 5.457 1.302 10.352) 11.774 2.253 ( -1.300 -0.778 4.990) 5.215 2.629 ( 7.563 -1.299 2.097) 7.955 2.686 ( 11.495 5.749 0.986) 12.890 2.876 ( 0.180 4.410 2.990) 5.331 2.977 ( -0.311 2.865 -0.893) 3.017 3.158 ( 6.038 1.202 3.847) 7.259 3.526 ( -3.112 3.187 0.052) 4.454 3.577 ( 3.260 3.840 -0.151) 5.039 3.710 ( 0.067 0.765 -1.359) 1.561 3.817 ( 3.578 3.702 -5.151) 7.283 3.961 ( 0.886 -1.426 -4.683) 4.975 5.149 ( 19.543 9.071 12.739) 25.030 5.310 ( 13.772 10.279 5.531) 18.053 5.595 ( 9.334 7.735 3.912) 12.738 5.900 ( 5.735 11.426 1.139) 12.835 6.123 ( 5.584 3.668 -7.945) 10.381 6.504 ( 10.780 4.600 -12.051) 16.810 6.686 ( 0.411 -6.247 -5.447) 8.298 7.055 ( -0.657 4.585 -4.717) 6.611 7.453 ( 12.910 -12.597 10.764) 21.006 7.786 ( 28.940 -0.333 2.762) 29.073 8.071 ( -2.743 -12.014 1.688) 12.438 8.110 ( 33.052 2.467 -3.174) 33.295 8.627 ( 2.776 -11.129 0.075) 11.470 8.666 ( 21.973 -16.139 1.358) 27.296 9.022 ( 4.433 -1.180 -3.323) 5.665 9.164 ( 3.294 -9.863 -3.881) 11.099 9.371 ( 8.992 -16.705 -3.806) 19.350 9.776 ( -10.264 -4.338 -11.121) 15.743 9.989 ( 0.400 -1.926 6.369) 6.666 10.247 ( 10.430 2.854 10.852) 15.320 10.432 ( -0.861 -7.697 12.283) 14.521 10.723 ( 13.117 -16.006 3.126) 20.929 10.870 ( 6.238 -2.979 0.486) 6.930 11.169 ( 4.589 7.353 0.297) 8.673 11.439 ( 5.603 15.935 0.524) 16.900 11.588 ( 13.618 4.803 2.740) 14.698 11.764 ( 11.218 8.445 3.969) 14.592 12.023 ( 9.795 12.407 3.730) 16.242 12.339 ( 24.950 -0.354 -4.197) 25.303 12.570 ( 5.356 1.663 1.695) 5.859 12.812 ( -4.088 5.407 1.581) 6.960 13.145 ( 6.800 7.938 -14.455) 17.838 13.320 ( -10.364 -1.478 -16.513) 19.552 13.641 ( 2.279 -2.151 -17.967) 18.238 13.902 ( -4.585 9.132 9.123) 13.698 14.115 ( 1.231 11.659 9.020) 14.792 14.232 ( -13.746 2.873 3.486) 14.469 14.470 ( 4.672 -4.714 -5.454) 8.590 14.903 ( 5.635 5.529 2.038) 8.153 15.487 ( 4.830 -17.720 -2.919) 18.597 16.085 ( -0.368 -9.918 7.124) 12.217 16.744 ( -21.340 -7.628 -5.281) 23.269 17.021 ( -13.760 -9.177 3.262) 16.859 17.450 ( -20.615 -2.348 -1.056) 20.775 17.673 ( -19.685 -0.885 3.671) 20.044 17.945 ( -15.853 0.293 -3.360) 16.208 18.269 ( -8.353 -7.019 4.470) 11.791 18.614 ( -24.018 -3.651 -1.121) 24.320 20.329 ( -2.496 5.336 -0.621) 5.924 20.454 ( -6.137 4.565 -2.278) 7.981 21.030 ( 1.293 8.779 -3.224) 9.441 21.200 ( -4.132 5.316 -5.787) 8.878 22.070 ( 9.353 1.609 3.797) 10.222 22.211 ( 7.091 2.229 3.092) 8.050 22.362 ( 6.755 5.474 7.248) 11.319 22.729 ( -5.535 0.936 0.317) 5.623 22.760 ( -1.219 1.804 4.104) 4.646 22.926 ( -1.841 2.470 -0.842) 3.194 23.729 ( 12.801 -0.195 -1.014) 12.842 23.749 ( 13.989 -0.320 -1.956) 14.129 24.350 ( -3.049 -0.443 5.259) 6.095 24.589 ( -7.613 0.148 -0.813) 7.658 25.199 ( 27.135 -15.894 4.388) 31.752 25.772 ( 6.698 -4.533 -3.920) 8.988 25.927 ( 8.709 -0.529 -3.057) 9.246 26.064 ( 3.744 -2.792 -7.327) 8.689 26.457 ( 1.044 -9.434 3.262) 10.037 26.528 ( -1.135 -9.180 3.183) 9.783 27.771 ( 2.309 0.716 3.139) 3.962 28.095 ( -8.673 -1.118 -3.051) 9.261 29.656 ( 9.698 4.268 3.200) 11.068 30.017 ( 11.885 8.876 -1.763) 14.938 30.224 ( -1.287 3.412 1.462) 3.929 31.024 ( -15.059 9.582 -15.008) 23.320 32.177 ( 1.635 -0.219 12.105) 12.217 32.513 ( -7.954 0.131 3.856) 8.840 33.210 ( -4.857 6.868 -2.258) 8.710 33.436 ( -9.549 3.542 -5.143) 11.409 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.822 -0.270 7.929) 8.806 2.214 ( -2.534 -0.677 6.403) 6.919 2.747 ( 4.942 0.120 2.338) 5.469 2.811 ( -0.432 2.352 1.375) 2.758 2.893 ( 3.631 3.733 0.699) 5.255 2.955 ( -2.147 2.600 -0.870) 3.482 3.294 ( 7.398 2.258 2.963) 8.283 3.432 ( -6.188 2.680 1.714) 6.958 3.653 ( 3.485 2.124 -1.400) 4.314 3.703 ( -0.740 1.030 -1.089) 1.672 3.865 ( 1.955 0.187 -5.378) 5.726 3.949 ( -1.847 -0.421 -4.047) 4.469 5.486 ( 13.732 7.561 8.591) 17.876 5.560 ( 9.983 3.051 3.159) 10.907 5.654 ( -2.146 6.342 4.375) 7.998 5.903 ( -3.643 5.458 8.925) 11.078 6.298 ( 11.230 13.623 -6.880) 18.948 6.520 ( -10.021 10.217 -3.103) 14.644 6.756 ( 7.938 1.769 -16.590) 18.476 6.975 ( -5.013 6.574 -9.031) 12.244 7.700 ( 13.462 -16.532 10.639) 23.827 7.935 ( -9.540 -15.655 6.096) 19.320 8.177 ( 14.332 -6.029 -0.903) 15.574 8.402 ( -3.396 -0.615 -1.515) 3.769 8.736 ( 7.322 -6.759 -11.821) 15.460 8.945 ( -6.930 -6.413 -15.163) 17.862 9.122 ( 10.887 -6.879 -0.052) 12.879 9.242 ( -3.646 2.121 -0.600) 4.260 9.501 ( 10.417 -14.293 -11.078) 20.869 9.734 ( 10.790 -17.017 -5.574) 20.906 10.113 ( 7.734 -1.638 15.253) 17.180 10.357 ( -3.173 -1.425 18.954) 19.271 10.529 ( 15.047 -1.596 17.044) 22.792 10.836 ( -7.957 -13.966 10.189) 19.031 10.942 ( 9.146 -12.942 5.041) 16.630 11.209 ( -6.084 10.465 4.621) 12.957 11.502 ( 1.944 21.675 -1.339) 21.804 11.705 ( -2.404 3.953 8.707) 9.860 12.090 ( 17.282 6.269 0.786) 18.400 12.152 ( 5.651 13.113 4.732) 15.042 12.410 ( -2.106 5.520 6.905) 9.088 12.705 ( -12.272 0.442 0.597) 12.295 12.984 ( 22.027 1.861 -13.635) 25.972 13.089 ( -2.095 3.192 -16.702) 17.133 13.281 ( 5.541 5.544 -14.879) 16.817 13.542 ( -11.784 -1.204 -13.581) 18.021 13.819 ( -1.828 4.252 1.191) 4.779 13.973 ( -9.586 10.151 3.454) 14.383 14.308 ( 11.099 7.499 -2.109) 13.560 14.470 ( -4.130 3.346 -6.528) 8.418 15.220 ( 24.384 -0.249 2.722) 24.537 15.563 ( -2.668 -8.452 -5.210) 10.281 16.055 ( -1.490 -11.932 6.205) 13.531 16.257 ( -23.831 -13.990 -2.494) 27.746 16.852 ( -1.950 -8.446 -0.141) 8.669 17.038 ( -15.679 -4.930 -0.436) 16.441 17.506 ( -0.130 -4.798 5.535) 7.326 17.640 ( -13.197 -3.149 1.828) 13.690 18.196 ( -0.534 -3.143 2.673) 4.160 18.308 ( -8.358 -3.674 1.630) 9.275 20.294 ( -0.988 5.853 -1.204) 6.056 20.372 ( -2.257 5.495 -0.204) 5.944 21.061 ( 2.142 8.449 -4.094) 9.630 21.120 ( -3.733 7.489 -4.859) 9.676 22.233 ( 6.781 0.489 1.604) 6.985 22.297 ( 1.384 1.549 1.590) 2.616 22.468 ( 4.689 3.068 4.973) 7.492 22.584 ( -7.682 0.837 1.607) 7.892 22.790 ( 2.989 3.549 3.913) 6.070 22.872 ( -3.345 3.601 2.133) 5.358 23.936 ( 7.867 -0.343 -3.539) 8.633 23.972 ( 6.747 -0.413 -5.814) 8.916 24.309 ( 0.638 -0.239 7.266) 7.298 24.420 ( -8.967 0.027 2.904) 9.425 25.629 ( 16.603 -8.222 1.661) 18.601 25.824 ( -2.759 -4.112 -0.551) 4.983 26.038 ( 3.005 -1.020 -3.994) 5.101 26.094 ( -0.084 -0.941 -3.796) 3.912 26.476 ( 0.727 -13.847 1.690) 13.969 26.511 ( -0.542 -13.597 1.907) 13.741 27.838 ( 4.570 0.382 0.511) 4.614 27.947 ( -6.685 -0.268 -1.496) 6.856 29.843 ( 9.498 7.617 4.446) 12.962 30.009 ( -7.344 11.837 5.293) 14.902 30.414 ( 15.636 2.036 -8.165) 17.757 30.722 ( -16.047 7.155 -10.846) 20.648 32.246 ( 5.240 -0.368 8.250) 9.780 32.367 ( -7.079 -0.275 5.590) 9.024 33.185 ( 1.974 4.221 -2.724) 5.397 33.274 ( -6.909 3.024 -3.914) 8.497 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 5.838 11.755) 13.125 2.067 ( 0.000 -5.726 9.806) 11.356 2.193 ( 0.000 12.583 0.352) 12.588 2.417 ( 0.000 -0.453 -5.533) 5.551 2.892 ( 0.000 7.539 8.555) 11.403 3.119 ( 0.000 -2.355 5.853) 6.309 3.173 ( 0.000 2.717 -4.554) 5.303 3.414 ( 0.000 0.283 -1.584) 1.609 3.423 ( 0.000 6.037 -4.350) 7.441 3.643 ( 0.000 0.730 -3.841) 3.910 3.785 ( 0.000 1.895 -2.098) 2.827 3.923 ( 0.000 0.926 -6.677) 6.741 4.162 ( 0.000 2.251 16.304) 16.459 4.810 ( 0.000 8.036 20.936) 22.425 5.026 ( 0.000 7.539 -1.686) 7.725 5.183 ( 0.000 -4.949 -1.653) 5.218 5.606 ( 0.000 -2.467 6.592) 7.039 6.083 ( 0.000 -14.742 -8.777) 17.157 6.110 ( 0.000 -7.287 -15.678) 17.288 6.509 ( 0.000 15.365 3.914) 15.856 6.808 ( 0.000 -8.083 -1.525) 8.225 7.056 ( 0.000 32.222 18.719) 37.264 7.176 ( 0.000 -13.192 -3.143) 13.561 7.606 ( 0.000 8.985 -12.439) 15.344 8.097 ( 0.000 -6.953 -5.421) 8.817 8.228 ( 0.000 -12.680 1.016) 12.721 8.391 ( 0.000 -10.857 3.163) 11.308 8.840 ( 0.000 0.193 10.971) 10.972 8.861 ( 0.000 -20.878 9.473) 22.926 8.948 ( 0.000 -8.851 12.916) 15.657 9.895 ( 0.000 -2.369 8.323) 8.654 10.200 ( 0.000 10.799 -5.796) 12.256 10.339 ( 0.000 2.317 -4.566) 5.120 10.466 ( 0.000 1.742 -7.256) 7.463 10.616 ( 0.000 -10.847 -18.517) 21.460 11.108 ( 0.000 3.294 9.344) 9.908 11.175 ( 0.000 3.679 7.565) 8.412 11.596 ( 0.000 10.854 -1.172) 10.918 11.722 ( 0.000 2.095 2.802) 3.499 11.860 ( 0.000 14.322 -3.134) 14.661 12.067 ( 0.000 -2.475 -2.580) 3.575 12.272 ( 0.000 -4.899 -21.943) 22.483 12.768 ( 0.000 -2.359 -4.672) 5.234 13.022 ( 0.000 -0.548 -3.699) 3.739 13.086 ( 0.000 -6.719 -3.331) 7.499 13.111 ( 0.000 1.481 -8.365) 8.495 13.406 ( 0.000 5.201 -2.278) 5.678 13.754 ( 0.000 -9.668 -9.294) 13.411 14.682 ( 0.000 10.282 4.862) 11.374 14.926 ( 0.000 -5.809 0.919) 5.881 15.304 ( 0.000 3.476 8.571) 9.249 15.565 ( 0.000 -6.537 5.241) 8.379 16.573 ( 0.000 -4.450 30.008) 30.337 16.849 ( 0.000 -0.822 17.725) 17.744 17.620 ( 0.000 16.372 5.336) 17.220 17.992 ( 0.000 -14.628 3.589) 15.061 18.279 ( 0.000 0.013 -14.118) 14.118 18.603 ( 0.000 0.812 -15.640) 15.661 19.380 ( 0.000 3.388 -19.951) 20.237 19.891 ( 0.000 -4.310 -20.943) 21.382 20.576 ( 0.000 0.160 0.220) 0.272 20.674 ( 0.000 0.210 -2.890) 2.898 20.875 ( 0.000 0.999 2.780) 2.954 21.050 ( 0.000 -0.048 3.523) 3.523 21.882 ( 0.000 4.711 13.619) 14.410 21.934 ( 0.000 0.139 11.255) 11.256 22.194 ( 0.000 2.456 1.440) 2.847 22.786 ( 0.000 -0.272 -8.139) 8.144 22.938 ( 0.000 0.014 0.229) 0.230 22.955 ( 0.000 0.019 -0.175) 0.176 23.090 ( 0.000 -2.027 29.576) 29.645 23.210 ( 0.000 -0.163 0.773) 0.790 23.295 ( 0.000 0.570 -1.165) 1.297 24.553 ( 0.000 -0.092 9.150) 9.151 25.028 ( 0.000 -1.897 -14.677) 14.799 25.256 ( 0.000 -0.123 1.103) 1.110 25.309 ( 0.000 0.053 0.067) 0.086 25.690 ( 0.000 -2.511 -18.511) 18.681 26.482 ( 0.000 2.865 3.800) 4.759 26.548 ( 0.000 -3.248 4.094) 5.226 27.759 ( 0.000 -0.150 7.974) 7.975 28.445 ( 0.000 -3.080 -4.269) 5.264 29.300 ( 0.000 0.015 0.022) 0.026 29.304 ( 0.000 -0.361 -0.062) 0.367 30.585 ( 0.000 5.169 4.644) 6.949 31.494 ( 0.000 0.403 -18.711) 18.715 32.315 ( 0.000 -0.073 18.303) 18.303 32.830 ( 0.000 -0.545 6.021) 6.046 33.824 ( 0.000 2.899 -10.911) 11.290 34.043 ( 0.000 -0.135 -12.858) 12.859 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 2.171 5.436 11.785) 13.159 2.103 ( 3.718 -5.795 8.655) 11.059 2.302 ( 10.063 9.363 -0.303) 13.748 2.446 ( 2.482 -0.645 -3.509) 4.346 2.883 ( 0.650 5.528 6.581) 8.619 3.099 ( -2.023 1.639 2.037) 3.306 3.129 ( -3.262 -1.189 -0.768) 3.556 3.481 ( 6.029 2.459 -2.523) 6.983 3.563 ( 10.617 4.462 -2.292) 11.743 3.653 ( 1.358 0.756 -3.974) 4.267 3.773 ( -0.818 1.970 -1.253) 2.474 3.902 ( -0.983 -0.258 -4.611) 4.722 4.636 ( 39.173 6.300 9.355) 40.764 4.863 ( 7.708 9.416 13.581) 18.234 5.177 ( 13.193 7.393 -1.445) 15.192 5.336 ( 17.612 -6.319 7.211) 20.053 5.666 ( 6.105 -1.580 3.098) 7.026 5.995 ( 1.217 -14.179 -9.041) 16.860 6.407 ( 12.764 -4.102 -6.329) 14.826 6.532 ( 7.840 6.904 1.160) 10.511 6.835 ( 4.428 -7.736 -0.583) 8.933 7.122 ( 9.839 27.062 14.193) 32.103 7.344 ( 14.233 -4.190 -0.518) 14.846 7.706 ( 8.685 9.002 -13.687) 18.541 8.079 ( -0.338 -9.665 -3.899) 10.427 8.328 ( 7.442 -12.158 -3.088) 14.585 8.465 ( 8.512 -7.242 4.116) 11.910 8.787 ( -2.616 -19.263 10.274) 21.988 8.902 ( 4.680 -0.014 7.056) 8.467 9.118 ( 14.051 -11.072 13.622) 22.485 9.907 ( 0.631 -4.366 7.959) 9.099 10.178 ( -0.984 8.173 -3.695) 9.023 10.375 ( 3.317 0.507 -1.629) 3.730 10.615 ( 11.734 3.318 -11.760) 16.941 10.684 ( 7.319 -6.208 -10.353) 14.117 11.009 ( -5.916 4.275 -0.549) 7.319 11.197 ( 0.803 1.871 7.977) 8.233 11.631 ( -12.277 1.648 -2.306) 12.600 11.705 ( 0.735 6.916 3.834) 7.942 11.803 ( 3.861 8.470 -1.547) 9.436 11.944 ( 4.393 3.477 -3.873) 6.811 12.422 ( 2.752 -2.725 -13.931) 14.460 12.842 ( 7.383 1.003 -5.053) 9.003 12.908 ( 0.342 -4.555 -4.982) 6.759 13.213 ( 13.241 -0.353 -7.551) 15.246 13.327 ( 7.450 8.386 -7.032) 13.239 13.539 ( 12.534 -7.077 -3.269) 14.760 13.779 ( 5.132 -8.738 -6.262) 11.912 14.659 ( -2.602 10.441 4.376) 11.616 14.890 ( -3.996 -4.095 0.259) 5.728 15.235 ( -7.342 3.506 6.810) 10.610 15.469 ( -9.605 -5.144 5.388) 12.155 16.233 ( -23.108 -4.431 29.270) 37.554 16.951 ( 2.791 -2.731 17.433) 17.865 17.594 ( -6.469 8.748 1.643) 11.004 17.980 ( -2.569 -1.834 0.136) 3.160 18.136 ( -10.551 -5.639 -7.870) 14.320 18.525 ( -8.024 0.982 -14.484) 16.587 19.053 ( -29.614 0.786 -11.545) 31.795 19.669 ( -22.023 -2.899 -14.827) 26.707 20.536 ( -3.527 1.994 -0.428) 4.075 20.660 ( -0.940 -0.437 -6.032) 6.121 21.027 ( 9.593 2.197 -2.345) 10.116 21.129 ( 7.355 -0.886 0.553) 7.429 21.909 ( 3.117 5.297 12.253) 13.709 21.960 ( 2.877 -0.493 10.645) 11.037 22.219 ( 3.160 2.322 3.913) 5.540 22.821 ( 2.822 -0.064 -7.546) 8.057 22.857 ( -4.410 0.434 8.220) 9.338 22.941 ( 0.212 0.008 0.287) 0.357 23.243 ( 9.085 -0.358 4.838) 10.299 23.347 ( 5.510 0.534 -0.441) 5.554 23.506 ( 29.545 -4.094 12.589) 32.375 24.511 ( -3.459 -0.166 8.490) 9.169 24.941 ( -7.180 -0.952 -9.253) 11.750 25.384 ( 7.269 -0.660 -6.419) 9.720 25.408 ( 12.879 -0.851 0.237) 12.909 25.747 ( 5.501 -2.323 -14.358) 15.550 26.465 ( -1.732 2.356 3.696) 4.713 26.523 ( -2.332 -3.238 4.016) 5.661 27.755 ( -0.325 -0.061 7.203) 7.211 28.374 ( -6.579 -2.523 -3.806) 8.009 29.355 ( 5.401 -0.034 0.496) 5.424 29.425 ( 11.912 -0.319 -1.003) 11.959 30.557 ( -2.846 5.090 4.823) 7.568 31.471 ( -2.752 0.718 -18.973) 19.184 32.272 ( -3.987 -0.000 18.142) 18.575 32.785 ( -4.516 -0.407 5.377) 7.034 33.723 ( -9.825 2.340 -9.505) 13.869 33.942 ( -9.481 1.870 -10.963) 14.614 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 3.314 3.535 11.393) 12.380 2.187 ( 3.894 -4.153 6.838) 8.897 2.484 ( 5.203 1.533 -0.405) 5.439 2.552 ( 11.693 2.904 -1.103) 12.099 2.936 ( 3.739 3.842 2.277) 5.825 3.035 ( -3.439 -0.321 -1.103) 3.625 3.108 ( 0.990 0.718 4.579) 4.739 3.568 ( 2.836 1.075 -3.112) 4.346 3.643 ( -0.177 2.966 -2.557) 3.920 3.756 ( 0.171 3.036 0.811) 3.147 3.794 ( 6.832 1.403 -4.045) 8.063 3.888 ( 0.531 -1.862 -3.484) 3.986 5.039 ( 13.806 9.903 9.854) 19.641 5.262 ( 17.547 7.701 4.973) 19.797 5.510 ( 20.443 3.572 -4.551) 21.246 5.740 ( 9.116 4.263 1.063) 10.119 5.922 ( 22.391 -2.102 -1.410) 22.534 6.186 ( 19.652 -17.628 4.957) 26.861 6.550 ( 12.537 10.871 2.159) 16.734 6.732 ( 8.773 -7.934 6.903) 13.695 7.044 ( 14.562 -8.173 -6.221) 17.820 7.494 ( 26.310 20.532 10.020) 34.845 7.677 ( 20.300 3.964 -0.723) 20.696 7.866 ( 7.976 6.690 -11.787) 15.726 8.106 ( 3.563 -10.089 -3.627) 11.298 8.463 ( 6.164 -6.438 -6.915) 11.281 8.646 ( 7.218 -10.956 -2.266) 13.314 8.831 ( 8.767 -15.773 9.752) 20.512 9.050 ( 11.448 -1.179 1.976) 11.677 9.431 ( 17.233 -6.751 14.897) 23.758 9.882 ( -2.607 -9.499 1.703) 9.996 10.224 ( 5.913 2.603 7.555) 9.940 10.405 ( -8.618 0.127 2.427) 8.954 10.573 ( -8.976 -0.483 -4.225) 9.932 10.833 ( 3.113 6.460 -5.204) 8.860 11.042 ( 4.207 -8.638 -11.140) 14.711 11.321 ( 17.992 10.846 4.150) 21.414 11.515 ( 10.118 -3.550 4.369) 11.579 11.808 ( 8.234 8.793 5.719) 13.335 11.928 ( 7.659 10.561 -4.127) 13.683 12.095 ( 8.694 -1.355 -5.066) 10.153 12.469 ( 5.062 0.951 -7.336) 8.963 12.914 ( 3.999 0.313 -3.241) 5.157 13.079 ( 8.795 1.108 -10.218) 13.527 13.408 ( 1.970 4.979 -12.413) 13.518 13.452 ( 7.660 -1.336 -15.875) 17.677 13.742 ( 12.941 -7.587 7.646) 16.837 14.022 ( 14.609 -7.428 -1.898) 16.498 14.531 ( -15.546 3.942 0.840) 16.060 14.754 ( -7.361 12.580 2.005) 14.713 15.072 ( -5.489 -2.908 2.541) 6.711 15.244 ( -11.550 -1.896 5.955) 13.132 15.913 ( -8.481 -8.536 24.630) 27.412 16.931 ( -4.203 -2.028 14.036) 14.791 17.280 ( -25.284 -1.380 -7.008) 26.273 17.756 ( -15.894 2.334 -7.217) 17.611 18.084 ( -1.442 -2.075 2.803) 3.774 18.293 ( -17.756 3.680 -10.102) 20.758 18.415 ( -30.495 -4.386 -0.546) 30.814 19.110 ( -33.588 -3.146 -5.342) 34.156 20.468 ( -3.371 2.346 -1.267) 4.298 20.618 ( -3.444 0.970 -6.667) 7.567 21.148 ( 3.478 5.910 -4.483) 8.192 21.246 ( 3.197 -2.172 -4.723) 6.102 21.980 ( 4.210 2.437 6.687) 8.269 22.079 ( 8.929 0.817 9.091) 12.769 22.320 ( 6.756 2.374 7.809) 10.595 22.800 ( -1.630 1.028 7.409) 7.655 22.840 ( -2.238 0.098 -3.137) 3.855 22.956 ( 1.551 0.487 -1.495) 2.209 23.463 ( 13.519 -0.098 0.854) 13.546 23.504 ( 10.584 0.099 0.098) 10.585 24.170 ( 34.188 -5.426 6.145) 35.157 24.458 ( 0.537 -0.862 9.662) 9.716 24.790 ( -8.228 -1.012 -4.968) 9.664 25.536 ( 8.826 -2.052 -9.785) 13.336 25.697 ( 15.011 -0.136 -0.696) 15.028 25.871 ( 6.575 -2.533 -8.696) 11.192 26.419 ( -2.966 0.810 3.389) 4.576 26.466 ( -3.488 -3.317 3.643) 6.036 27.754 ( 0.434 0.081 5.203) 5.222 28.225 ( -8.402 -1.650 -3.123) 9.114 29.501 ( 9.528 0.410 1.761) 9.698 29.721 ( 18.022 -0.050 -2.957) 18.263 30.475 ( -5.661 4.840 5.207) 9.088 31.371 ( -8.167 1.748 -18.105) 19.939 32.194 ( -3.237 0.074 16.480) 16.795 32.667 ( -7.464 -0.119 4.173) 8.552 33.498 ( -11.944 2.704 -6.061) 13.664 33.724 ( -12.365 2.669 -8.025) 14.980 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 3.419 1.527 9.942) 10.624 2.222 ( -0.130 -1.624 6.127) 6.340 2.602 ( 7.383 -0.807 1.888) 7.663 2.771 ( 9.312 2.185 -1.774) 9.729 2.948 ( -2.130 2.355 0.597) 3.231 3.004 ( -0.276 -0.086 -0.976) 1.018 3.187 ( 7.008 1.160 5.089) 8.738 3.572 ( -2.907 1.070 -1.082) 3.281 3.653 ( 1.995 2.499 -3.121) 4.469 3.748 ( -0.516 3.110 0.145) 3.156 3.819 ( -0.755 -2.837 -2.449) 3.823 3.954 ( 2.587 0.222 -3.854) 4.647 5.312 ( 13.691 5.414 4.837) 15.496 5.523 ( 10.259 10.540 4.558) 15.399 5.776 ( 6.760 -6.251 -7.059) 11.602 5.940 ( 13.067 10.863 4.924) 17.692 6.149 ( 6.029 -1.153 2.414) 6.596 6.575 ( 16.148 -0.121 6.194) 17.296 6.639 ( 2.857 -9.519 7.057) 12.189 7.016 ( 9.987 6.828 -2.220) 12.300 7.364 ( 13.237 -0.137 -4.049) 13.843 7.837 ( 9.951 -0.033 -2.586) 10.282 7.905 ( 0.539 -2.654 1.865) 3.288 8.231 ( 18.120 -1.591 -5.922) 19.129 8.322 ( 23.083 1.556 -8.382) 24.607 8.618 ( 14.775 -8.191 -14.768) 22.439 8.804 ( 10.868 -0.216 3.104) 11.304 9.005 ( 6.906 -5.766 -1.844) 9.184 9.310 ( 12.910 -0.600 -1.222) 12.982 9.663 ( -0.018 -1.139 7.348) 7.436 9.896 ( 5.961 -10.735 -0.729) 12.301 10.078 ( -6.073 -7.457 4.535) 10.633 10.339 ( 2.556 -2.523 11.598) 12.141 10.539 ( 1.411 -2.901 20.340) 20.594 10.740 ( -6.385 -3.591 11.421) 13.569 11.313 ( 19.038 2.503 -12.533) 22.930 11.628 ( 13.932 8.395 5.632) 17.213 11.792 ( 8.915 5.127 2.312) 10.540 12.033 ( 5.624 13.089 -4.100) 14.824 12.165 ( 15.817 1.552 -0.041) 15.893 12.305 ( 23.360 -2.749 -4.040) 23.866 12.607 ( 6.253 1.345 -2.690) 6.939 12.928 ( -4.343 4.895 -0.139) 6.546 13.190 ( 1.001 -3.116 -11.640) 12.091 13.326 ( -5.082 2.760 -16.688) 17.662 13.572 ( 1.215 -2.913 -17.896) 18.172 13.990 ( -0.248 1.178 9.771) 9.845 14.141 ( -3.153 -3.945 1.098) 5.168 14.168 ( -1.106 -2.942 0.863) 3.259 14.749 ( 2.876 19.795 -1.571) 20.065 15.045 ( 0.438 2.986 0.512) 3.061 15.155 ( 6.908 -11.827 0.458) 13.704 15.865 ( 1.389 -8.810 14.421) 16.956 16.664 ( -31.348 -0.676 -8.273) 32.428 16.846 ( -10.081 -6.291 8.640) 14.692 17.413 ( -21.186 -1.191 -5.578) 21.941 17.697 ( -25.483 1.934 0.635) 25.564 17.963 ( -20.010 1.130 -3.902) 20.418 18.155 ( -2.448 -3.376 7.105) 8.239 18.519 ( -23.979 -3.870 1.296) 24.324 20.416 ( -1.842 2.479 -1.729) 3.539 20.536 ( -4.678 2.501 -4.847) 7.186 21.182 ( 0.714 5.282 -5.139) 7.404 21.261 ( -0.955 0.505 -5.658) 5.760 22.087 ( 6.969 0.331 4.114) 8.099 22.239 ( 6.584 0.588 4.271) 7.870 22.443 ( 5.177 2.010 7.722) 9.511 22.741 ( -7.139 0.210 -0.036) 7.143 22.800 ( 1.616 1.499 6.608) 6.965 22.973 ( -0.330 1.563 0.212) 1.611 23.728 ( 12.324 0.080 -0.971) 12.363 23.741 ( 14.231 -0.326 -2.282) 14.417 24.343 ( -2.761 -0.231 5.165) 5.861 24.604 ( -8.560 1.075 -1.739) 8.801 24.944 ( 32.398 -7.522 6.088) 33.812 25.706 ( 7.792 -1.761 -5.415) 9.651 25.932 ( 8.216 1.279 -3.374) 8.974 25.989 ( 6.214 -3.839 -5.919) 9.402 26.349 ( -4.290 -1.179 3.065) 5.403 26.391 ( -4.259 -4.297 2.927) 6.721 27.778 ( 2.156 0.084 2.670) 3.433 28.067 ( -7.696 -0.970 -2.392) 8.118 29.709 ( 11.698 1.151 3.191) 12.179 30.091 ( 19.804 0.616 -5.317) 20.514 30.341 ( -8.134 4.598 5.621) 10.904 31.151 ( -14.358 2.982 -14.302) 20.484 32.174 ( 1.395 -0.061 12.215) 12.294 32.513 ( -8.178 -0.019 3.974) 9.092 33.312 ( -6.726 2.628 -3.744) 8.134 33.495 ( -10.911 1.719 -5.895) 12.520 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 2.822 0.464 8.088) 8.579 2.198 ( -1.948 -0.723 6.814) 7.124 2.742 ( 6.618 -0.257 2.478) 7.072 2.840 ( -2.764 0.579 1.159) 3.052 2.947 ( 2.734 1.439 -0.751) 3.180 2.989 ( -1.350 0.721 -0.998) 1.827 3.338 ( 7.982 1.454 2.854) 8.600 3.479 ( -6.378 1.422 0.992) 6.609 3.691 ( 1.498 1.313 -2.924) 3.538 3.729 ( -1.301 1.017 -1.473) 2.213 3.850 ( 4.172 -1.001 -1.989) 4.729 3.942 ( -3.350 -0.223 -2.929) 4.455 5.531 ( 7.736 -0.004 -0.934) 7.792 5.631 ( 1.360 1.962 -1.994) 3.111 5.873 ( 3.557 10.361 3.664) 11.551 6.122 ( 3.507 16.940 14.007) 22.259 6.226 ( 2.989 -10.429 -2.169) 11.064 6.557 ( -2.414 -12.812 8.894) 15.782 6.986 ( 15.317 11.081 -0.577) 18.914 7.108 ( 0.674 6.138 -0.996) 6.255 7.508 ( 7.342 0.210 2.925) 7.906 7.727 ( -12.480 -4.444 5.456) 14.327 8.101 ( 12.642 -1.473 -7.367) 14.706 8.313 ( -5.840 -6.744 -10.884) 14.073 8.647 ( 12.207 0.664 -20.115) 23.538 8.827 ( -1.725 -9.641 -14.839) 17.780 9.026 ( 5.258 -0.100 -11.653) 12.785 9.075 ( 1.097 -9.693 -11.722) 15.250 9.469 ( 4.094 4.280 0.194) 5.926 9.546 ( -0.511 -0.819 -5.317) 5.404 10.096 ( 5.387 -0.734 14.616) 15.594 10.260 ( -1.968 -7.678 13.711) 15.838 10.409 ( 24.289 -6.862 19.449) 31.864 10.586 ( 1.934 -5.496 21.864) 22.627 10.780 ( 15.765 -2.304 21.028) 26.383 11.362 ( -22.619 3.794 9.140) 24.689 11.852 ( 5.873 10.927 2.799) 12.717 11.901 ( 0.748 8.024 1.861) 8.271 12.149 ( 15.234 1.530 -2.929) 15.589 12.311 ( 2.783 1.429 -1.892) 3.656 12.562 ( -2.676 6.054 2.964) 7.252 12.713 ( -12.759 1.006 -0.612) 12.813 12.974 ( 26.006 -1.558 -8.772) 27.490 13.145 ( 1.205 2.893 -17.269) 17.551 13.331 ( 1.488 -2.009 -17.600) 17.777 13.499 ( -9.599 -1.774 -13.994) 17.062 13.844 ( -2.739 2.256 0.572) 3.594 14.001 ( -8.752 -3.348 1.765) 9.535 14.448 ( 16.303 3.690 1.451) 16.778 14.687 ( -8.557 10.466 -3.742) 14.027 15.244 ( 18.094 1.294 -2.449) 18.305 15.387 ( 11.476 -6.039 -3.431) 13.414 15.864 ( -3.540 -5.778 5.140) 8.506 16.046 ( -27.736 -5.626 -6.720) 29.087 16.719 ( 0.647 -3.801 4.695) 6.075 16.969 ( -21.352 -1.704 -0.637) 21.429 17.440 ( -1.390 -1.368 5.337) 5.683 17.590 ( -15.361 -1.521 3.031) 15.731 18.140 ( 0.880 -1.624 4.749) 5.095 18.226 ( -8.148 -2.984 3.163) 9.236 20.403 ( 0.416 3.573 -2.568) 4.420 20.457 ( -3.061 2.156 -3.050) 4.829 21.197 ( 1.090 4.062 -5.183) 6.675 21.229 ( -1.956 2.649 -5.499) 6.409 22.231 ( 7.090 -0.261 2.135) 7.409 22.309 ( 0.120 -0.015 1.828) 1.832 22.512 ( 2.702 1.024 4.942) 5.725 22.595 ( -6.741 0.267 2.262) 7.116 22.861 ( 4.075 2.380 5.928) 7.577 22.938 ( -3.123 2.054 3.670) 5.238 23.932 ( 7.948 -0.082 -3.436) 8.659 23.965 ( 6.516 -0.214 -6.237) 9.022 24.306 ( 0.961 -0.088 7.095) 7.161 24.423 ( -9.364 0.175 2.219) 9.625 25.484 ( 22.214 -4.439 2.838) 22.830 25.757 ( -5.081 -1.963 0.397) 5.462 26.033 ( 4.070 0.464 -5.677) 7.001 26.080 ( 1.347 -0.726 -4.834) 5.070 26.280 ( -1.582 -4.116 2.590) 5.114 26.311 ( -3.571 -6.018 1.991) 7.275 27.838 ( 4.095 -0.112 0.345) 4.111 27.935 ( -5.996 -0.480 -1.327) 6.159 29.938 ( 11.874 2.059 4.284) 12.790 30.155 ( -10.438 2.785 4.656) 11.763 30.477 ( 19.427 2.792 -6.898) 20.803 30.838 ( -17.836 3.294 -10.180) 20.800 32.240 ( 5.187 -0.174 8.106) 9.625 32.363 ( -7.299 -0.134 5.387) 9.072 33.251 ( 0.423 1.827 -3.573) 4.035 33.322 ( -6.672 1.341 -4.462) 8.138 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 0.000 28.254) 28.254 1.808 ( 0.000 0.000 29.430) 29.430 2.133 ( 0.000 0.000 -16.689) 16.689 2.184 ( 0.000 0.000 -3.896) 3.896 2.679 ( 0.000 0.000 10.763) 10.763 2.682 ( 0.000 0.000 7.533) 7.533 3.172 ( 0.000 0.000 6.900) 6.900 3.343 ( 0.000 0.000 4.195) 4.195 3.358 ( 0.000 0.000 -8.846) 8.846 3.421 ( 0.000 0.000 -2.812) 2.812 3.681 ( 0.000 0.000 2.639) 2.639 3.789 ( 0.000 0.000 -6.048) 6.048 4.363 ( 0.000 0.000 18.177) 18.177 4.650 ( 0.000 0.000 -6.032) 6.032 5.085 ( 0.000 0.000 11.095) 11.095 5.239 ( 0.000 0.000 4.169) 4.169 5.269 ( 0.000 0.000 8.884) 8.884 5.481 ( 0.000 0.000 -20.108) 20.108 5.913 ( 0.000 0.000 25.888) 25.888 6.908 ( 0.000 0.000 -31.330) 31.330 7.023 ( 0.000 0.000 10.875) 10.875 7.247 ( 0.000 0.000 -8.469) 8.469 7.722 ( 0.000 0.000 -24.236) 24.236 7.775 ( 0.000 0.000 -12.928) 12.928 8.242 ( 0.000 0.000 10.679) 10.679 8.453 ( 0.000 0.000 -7.564) 7.564 9.101 ( 0.000 0.000 -4.384) 4.384 9.108 ( 0.000 0.000 -3.156) 3.156 9.583 ( 0.000 0.000 2.372) 2.372 9.584 ( 0.000 0.000 -0.373) 0.373 9.840 ( 0.000 0.000 28.203) 28.203 9.998 ( 0.000 0.000 -0.732) 0.732 10.015 ( 0.000 0.000 -1.056) 1.056 10.444 ( 0.000 0.000 -23.360) 23.360 10.930 ( 0.000 0.000 35.845) 35.845 11.013 ( 0.000 0.000 4.948) 4.948 11.113 ( 0.000 0.000 -4.203) 4.203 11.237 ( 0.000 0.000 -6.949) 6.949 11.338 ( 0.000 0.000 -2.746) 2.746 11.587 ( 0.000 0.000 21.870) 21.870 11.839 ( 0.000 0.000 -36.116) 36.116 12.014 ( 0.000 0.000 -15.955) 15.955 12.444 ( 0.000 0.000 17.863) 17.863 12.821 ( 0.000 0.000 -13.742) 13.742 13.197 ( 0.000 0.000 5.066) 5.066 13.347 ( 0.000 0.000 -7.486) 7.486 13.557 ( 0.000 0.000 36.665) 36.665 14.176 ( 0.000 0.000 -11.588) 11.588 14.195 ( 0.000 0.000 8.729) 8.729 14.516 ( 0.000 0.000 -27.509) 27.509 16.108 ( 0.000 0.000 16.433) 16.433 16.370 ( 0.000 0.000 -6.583) 6.583 16.927 ( 0.000 0.000 30.319) 30.319 17.380 ( 0.000 0.000 23.985) 23.985 17.580 ( 0.000 0.000 -30.305) 30.305 17.679 ( 0.000 0.000 17.324) 17.324 17.887 ( 0.000 0.000 -22.272) 22.272 18.093 ( 0.000 0.000 -20.950) 20.950 19.802 ( 0.000 0.000 1.043) 1.043 19.813 ( 0.000 0.000 -0.007) 0.007 20.577 ( 0.000 0.000 1.514) 1.514 20.616 ( 0.000 0.000 -2.112) 2.112 20.993 ( 0.000 0.000 7.669) 7.669 21.113 ( 0.000 0.000 -4.390) 4.390 21.463 ( 0.000 0.000 5.805) 5.805 21.606 ( 0.000 0.000 -6.595) 6.595 22.201 ( 0.000 0.000 15.257) 15.257 22.535 ( 0.000 0.000 -15.199) 15.199 22.942 ( 0.000 0.000 0.286) 0.286 22.948 ( 0.000 0.000 -0.282) 0.282 23.230 ( 0.000 0.000 0.100) 0.100 23.233 ( 0.000 0.000 -0.142) 0.142 24.569 ( 0.000 0.000 10.595) 10.595 24.821 ( 0.000 0.000 -12.663) 12.663 25.294 ( 0.000 0.000 1.765) 1.765 25.319 ( 0.000 0.000 -0.532) 0.532 25.321 ( 0.000 0.000 6.748) 6.748 25.452 ( 0.000 0.000 -4.906) 4.906 26.508 ( 0.000 0.000 4.067) 4.067 26.581 ( 0.000 0.000 -2.667) 2.667 28.165 ( 0.000 0.000 3.114) 3.114 28.232 ( 0.000 0.000 -2.945) 2.945 29.316 ( 0.000 0.000 0.298) 0.298 29.322 ( 0.000 0.000 -0.314) 0.314 30.164 ( 0.000 0.000 13.504) 13.504 30.474 ( 0.000 0.000 -14.743) 14.743 32.749 ( 0.000 0.000 2.898) 2.898 32.810 ( 0.000 0.000 -2.646) 2.646 33.266 ( 0.000 0.000 10.087) 10.087 33.478 ( 0.000 0.000 -9.249) 9.249 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 7.911 0.000 23.877) 25.154 1.935 ( 19.361 0.000 18.397) 26.707 2.238 ( 7.799 0.000 -3.578) 8.580 2.275 ( 12.083 0.000 -9.966) 15.663 2.706 ( 2.888 0.000 7.221) 7.777 2.711 ( 3.369 0.000 8.828) 9.449 3.146 ( -1.737 0.000 6.053) 6.297 3.307 ( -2.620 0.000 -7.454) 7.901 3.392 ( 3.704 0.000 3.523) 5.112 3.466 ( 2.170 0.000 -2.934) 3.650 3.690 ( 0.869 0.000 3.004) 3.127 3.801 ( 1.446 0.000 -6.231) 6.397 4.532 ( 15.098 0.000 14.539) 20.960 4.726 ( 6.192 0.000 -3.044) 6.900 5.182 ( 10.514 0.000 11.133) 15.313 5.268 ( 2.314 0.000 8.289) 8.606 5.426 ( 15.059 0.000 -2.188) 15.218 5.621 ( 12.611 0.000 -23.356) 26.543 6.056 ( 17.970 0.000 34.435) 38.842 6.903 ( 0.825 0.000 -17.220) 17.240 7.182 ( 14.615 0.000 6.382) 15.948 7.400 ( 13.240 0.000 -8.971) 15.993 7.768 ( -0.137 0.000 -12.269) 12.270 7.791 ( 9.437 0.000 -32.985) 34.308 8.400 ( 13.889 0.000 8.216) 16.137 8.546 ( 5.970 0.000 -4.719) 7.610 9.081 ( 0.897 0.000 -1.788) 2.000 9.118 ( 1.245 0.000 -4.104) 4.289 9.640 ( 5.405 0.000 3.638) 6.515 9.649 ( 7.261 0.000 -0.363) 7.270 9.872 ( 3.530 0.000 19.159) 19.481 10.039 ( 2.899 0.000 -1.661) 3.341 10.134 ( 10.470 0.000 5.305) 11.738 10.459 ( 2.650 0.000 -15.646) 15.868 10.733 ( -12.984 0.000 30.570) 33.213 11.113 ( 7.740 0.000 0.332) 7.747 11.164 ( 5.364 0.000 -11.069) 12.300 11.293 ( -0.953 0.000 -9.774) 9.820 11.423 ( 9.373 0.000 -2.798) 9.782 11.486 ( -13.300 0.000 -15.617) 20.513 11.672 ( 4.945 0.000 27.676) 28.114 12.320 ( 14.196 0.000 -29.307) 32.564 12.518 ( 8.785 0.000 17.324) 19.424 12.815 ( 1.563 0.000 -6.578) 6.761 13.202 ( -0.535 0.000 5.470) 5.496 13.357 ( -0.409 0.000 -9.553) 9.562 13.576 ( 1.215 0.000 28.605) 28.630 14.129 ( -6.282 0.000 -14.381) 15.694 14.253 ( 6.436 0.000 10.473) 12.292 14.571 ( 6.287 0.000 -21.781) 22.670 15.822 ( -26.937 0.000 17.351) 32.041 16.126 ( -21.723 0.000 -9.088) 23.547 16.796 ( -7.165 0.000 29.083) 29.952 17.421 ( -11.419 0.000 -28.669) 30.859 17.520 ( 3.078 0.000 19.327) 19.571 17.731 ( 8.263 0.000 18.122) 19.917 17.941 ( -2.150 0.000 -19.885) 20.001 18.119 ( 3.178 0.000 -17.035) 17.329 19.547 ( -23.595 0.000 2.070) 23.686 19.587 ( -21.822 0.000 -1.572) 21.878 20.512 ( -6.113 0.000 2.777) 6.714 20.558 ( -5.687 0.000 -1.184) 5.809 20.974 ( -3.163 0.000 3.725) 4.886 21.083 ( -3.666 0.000 -6.204) 7.207 21.563 ( 10.390 0.000 6.637) 12.329 21.686 ( 8.175 0.000 -4.466) 9.316 22.244 ( 3.844 0.000 14.683) 15.177 22.565 ( 2.477 0.000 -14.678) 14.886 22.921 ( -2.616 0.000 1.602) 3.067 22.936 ( -0.813 0.000 -0.224) 0.843 23.302 ( 7.235 0.000 0.871) 7.287 23.307 ( 7.438 0.000 0.184) 7.440 24.564 ( -1.015 0.000 7.489) 7.557 24.753 ( -5.307 0.000 -9.627) 10.993 25.379 ( 7.071 0.000 3.082) 7.714 25.429 ( 10.967 0.000 -0.202) 10.969 25.478 ( 13.353 0.000 -0.715) 13.373 25.560 ( 10.092 0.000 -5.328) 11.412 26.565 ( 5.963 0.000 3.821) 7.082 26.634 ( 5.433 0.000 -2.482) 5.973 28.084 ( -7.195 0.000 5.597) 9.116 28.182 ( -4.806 0.000 -3.773) 6.110 29.360 ( 3.635 0.000 1.003) 3.770 29.402 ( 7.505 0.000 -3.367) 8.226 30.158 ( -0.422 0.000 13.128) 13.135 30.462 ( -1.182 0.000 -14.539) 14.587 32.696 ( -9.792 0.000 2.958) 10.229 32.706 ( -4.083 0.000 1.146) 4.240 33.233 ( -3.203 0.000 9.751) 10.264 33.439 ( -3.826 0.000 -8.972) 9.754 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 9.702 0.000 11.495) 15.042 2.140 ( 5.018 0.000 6.772) 8.429 2.492 ( 9.256 0.000 1.710) 9.412 2.516 ( 14.975 0.000 -1.068) 15.013 2.796 ( 5.647 0.000 5.915) 8.178 2.805 ( 5.991 0.000 4.853) 7.710 3.137 ( 1.569 0.000 5.149) 5.382 3.294 ( 2.005 0.000 -7.887) 8.138 3.452 ( 2.436 0.000 1.245) 2.736 3.488 ( 0.257 0.000 -1.756) 1.775 3.709 ( 0.860 0.000 4.101) 4.190 3.840 ( 1.966 0.000 -7.160) 7.425 4.850 ( 16.746 0.000 6.474) 17.954 4.854 ( 7.659 0.000 1.820) 7.872 5.325 ( 4.226 0.000 14.695) 15.291 5.457 ( 16.116 0.000 10.162) 19.053 5.722 ( 13.473 0.000 -12.272) 18.224 5.856 ( 9.494 0.000 -27.322) 28.925 6.640 ( 36.593 0.000 32.538) 48.967 6.958 ( 4.096 0.000 3.750) 5.553 7.511 ( 16.701 0.000 -1.925) 16.812 7.602 ( 6.256 0.000 -7.999) 10.155 7.820 ( 9.887 0.000 -3.245) 10.406 8.206 ( 31.840 0.000 -39.392) 50.651 8.545 ( -4.653 0.000 4.040) 6.162 8.640 ( 9.512 0.000 -3.850) 10.262 9.215 ( 10.341 0.000 0.155) 10.342 9.237 ( 12.932 0.000 -0.438) 12.939 9.700 ( -2.736 0.000 7.698) 8.170 9.806 ( 3.520 0.000 -4.436) 5.663 9.957 ( 6.708 0.000 8.624) 10.925 10.085 ( 5.627 0.000 -1.850) 5.924 10.404 ( 16.736 0.000 9.657) 19.322 10.576 ( 0.254 0.000 22.787) 22.789 10.593 ( 9.845 0.000 -6.631) 11.870 10.976 ( -14.287 0.000 -9.773) 17.310 11.345 ( 13.941 0.000 -9.980) 17.145 11.371 ( 11.471 0.000 -16.376) 19.994 11.588 ( 12.457 0.000 1.175) 12.512 11.609 ( 8.673 0.000 4.562) 9.800 11.804 ( 12.343 0.000 25.987) 28.770 12.480 ( 4.436 0.000 -26.821) 27.185 12.756 ( 13.783 0.000 14.037) 19.672 12.892 ( 3.135 0.000 1.069) 3.312 13.163 ( -3.048 0.000 7.908) 8.475 13.298 ( -5.701 0.000 -9.437) 11.026 13.585 ( 0.304 0.000 8.807) 8.813 13.924 ( -14.117 0.000 -14.380) 20.151 14.421 ( 8.367 0.000 12.803) 15.295 14.697 ( 3.141 0.000 -12.788) 13.168 15.238 ( -28.557 0.000 19.718) 34.703 15.694 ( -19.312 0.000 -20.295) 28.015 16.700 ( -3.362 0.000 24.311) 24.543 17.199 ( -11.409 0.000 -21.884) 24.680 17.461 ( -6.441 0.000 14.889) 16.223 17.808 ( -10.397 0.000 -17.007) 19.933 17.890 ( 4.726 0.000 13.658) 14.453 18.109 ( -5.512 0.000 -6.308) 8.377 18.995 ( -31.597 0.000 1.860) 31.652 19.057 ( -31.015 0.000 -3.620) 31.226 20.383 ( -6.258 0.000 3.609) 7.224 20.439 ( -5.869 0.000 -1.596) 6.082 20.882 ( -5.351 0.000 2.330) 5.836 20.979 ( -6.371 0.000 -6.680) 9.231 21.813 ( 13.994 0.000 4.730) 14.772 21.886 ( 11.388 0.000 -1.778) 11.526 22.327 ( 4.406 0.000 12.663) 13.408 22.601 ( 0.736 0.000 -12.352) 12.374 22.861 ( -3.318 0.000 3.513) 4.832 22.905 ( -2.355 0.000 -1.161) 2.626 23.491 ( 11.790 0.000 0.789) 11.816 23.498 ( 11.686 0.000 0.146) 11.687 24.529 ( -2.347 0.000 5.771) 6.230 24.655 ( -4.715 0.000 -5.832) 7.499 25.537 ( 8.969 0.000 5.229) 10.382 25.662 ( 11.785 0.000 -5.256) 12.904 25.743 ( 12.442 0.000 -3.698) 12.980 25.772 ( 10.705 0.000 -3.904) 11.394 26.726 ( 10.117 0.000 3.019) 10.557 26.780 ( 9.125 0.000 -1.853) 9.312 27.938 ( -7.049 0.000 7.249) 10.111 28.066 ( -6.743 0.000 -4.810) 8.283 29.444 ( 4.654 0.000 3.293) 5.701 29.544 ( 6.171 0.000 -6.138) 8.704 30.160 ( 0.974 0.000 10.597) 10.642 30.432 ( -1.899 0.000 -13.658) 13.789 32.518 ( -7.414 0.000 8.528) 11.300 32.615 ( -4.719 0.000 -1.426) 4.929 33.156 ( -4.474 0.000 8.556) 9.655 33.342 ( -6.020 0.000 -8.287) 10.243 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 3.354 0.000 4.229) 5.398 2.221 ( 5.274 0.000 2.495) 5.835 2.637 ( 6.130 0.000 5.636) 8.327 2.699 ( 5.014 0.000 -0.246) 5.020 2.878 ( 2.537 0.000 5.236) 5.818 2.899 ( 2.682 0.000 1.659) 3.154 3.215 ( 5.739 0.000 5.321) 7.826 3.386 ( 5.073 0.000 -8.567) 9.957 3.497 ( 2.579 0.000 -0.921) 2.739 3.503 ( 3.405 0.000 -0.828) 3.504 3.715 ( -0.478 0.000 3.690) 3.721 3.850 ( -1.411 0.000 -8.016) 8.140 5.039 ( 11.296 0.000 2.704) 11.616 5.141 ( 12.318 0.000 -5.504) 13.492 5.462 ( 10.645 0.000 20.009) 22.665 5.737 ( 12.118 0.000 7.288) 14.141 5.923 ( 7.243 0.000 -6.986) 10.063 5.958 ( 1.399 0.000 -20.188) 20.236 7.013 ( 0.888 0.000 10.514) 10.552 7.105 ( 8.035 0.000 7.804) 11.201 7.696 ( 7.537 0.000 -13.919) 15.828 7.696 ( 5.157 0.000 -10.117) 11.356 8.190 ( 9.537 0.000 13.567) 16.584 8.510 ( -2.239 0.000 -16.358) 16.511 8.663 ( 30.234 0.000 14.443) 33.506 9.053 ( 28.023 0.000 -17.095) 32.826 9.364 ( -4.405 0.000 7.080) 8.338 9.451 ( 8.432 0.000 0.144) 8.433 9.644 ( 4.297 0.000 -0.989) 4.409 9.716 ( -1.947 0.000 -10.417) 10.598 10.123 ( 9.119 0.000 8.844) 12.704 10.317 ( 11.730 0.000 -8.909) 14.730 10.647 ( 12.048 0.000 3.607) 12.576 10.651 ( 1.371 0.000 1.970) 2.400 10.846 ( 21.113 0.000 19.684) 28.865 11.014 ( 13.826 0.000 6.078) 15.103 11.467 ( -0.048 0.000 0.399) 0.402 11.586 ( 11.001 0.000 -14.850) 18.481 11.849 ( 12.755 0.000 2.042) 12.917 11.899 ( 19.500 0.000 2.589) 19.671 12.116 ( 17.708 0.000 10.765) 20.723 12.533 ( -0.971 0.000 -11.832) 11.871 12.813 ( -10.189 0.000 10.446) 14.592 12.960 ( 5.619 0.000 4.954) 7.491 13.123 ( -0.876 0.000 -5.776) 5.842 13.130 ( -13.463 0.000 -8.721) 16.040 13.605 ( 0.980 0.000 -0.784) 1.255 13.659 ( -9.915 0.000 -5.499) 11.338 14.351 ( -14.815 0.000 9.637) 17.674 14.573 ( -14.999 0.000 -10.768) 18.464 15.040 ( 9.957 0.000 16.655) 19.404 15.509 ( -0.317 0.000 -23.898) 23.900 16.654 ( -1.711 0.000 17.609) 17.692 16.982 ( -11.566 0.000 -12.928) 17.347 17.302 ( -10.047 0.000 10.362) 14.433 17.535 ( -18.684 0.000 -9.841) 21.117 17.883 ( -4.895 0.000 6.547) 8.174 17.927 ( -11.424 0.000 1.094) 11.476 18.458 ( -20.824 0.000 -0.167) 20.825 18.502 ( -23.453 0.000 -4.267) 23.838 20.290 ( -3.313 0.000 3.454) 4.786 20.341 ( -4.355 0.000 -1.400) 4.574 20.798 ( -3.043 0.000 1.425) 3.360 20.864 ( -5.152 0.000 -4.907) 7.115 22.060 ( 11.063 0.000 2.573) 11.358 22.090 ( 9.325 0.000 -0.098) 9.326 22.405 ( 3.673 0.000 8.713) 9.455 22.586 ( -2.142 0.000 -7.706) 7.998 22.802 ( -2.603 0.000 3.250) 4.164 22.850 ( -3.144 0.000 -1.636) 3.544 23.725 ( 11.750 0.000 -0.483) 11.760 23.726 ( 11.297 0.000 -0.429) 11.305 24.480 ( -2.568 0.000 5.223) 5.821 24.566 ( -4.700 0.000 -2.719) 5.430 25.703 ( 7.847 0.000 4.929) 9.267 25.835 ( 5.510 0.000 -7.026) 8.929 25.941 ( 8.311 0.000 -2.038) 8.557 25.949 ( 7.533 0.000 -2.202) 7.848 26.920 ( 9.114 0.000 2.151) 9.365 26.953 ( 7.992 0.000 -0.683) 8.021 27.833 ( -3.679 0.000 5.400) 6.534 27.940 ( -6.077 0.000 -4.401) 7.503 29.527 ( 3.752 0.000 4.427) 5.803 29.619 ( 1.693 0.000 -3.169) 3.593 30.202 ( 3.298 0.000 4.369) 5.474 30.391 ( -2.326 0.000 -11.518) 11.750 32.430 ( -1.866 0.000 8.787) 8.983 32.537 ( -3.445 0.000 -1.204) 3.649 33.078 ( -3.094 0.000 5.659) 6.450 33.219 ( -6.457 0.000 -6.779) 9.362 ======================= Grid point 130 (45/60) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 1.694 0.000 2.580) 3.086 2.277 ( 0.901 0.000 1.175) 1.481 2.725 ( 2.970 0.000 2.776) 4.065 2.749 ( 0.563 0.000 0.723) 0.916 2.907 ( 0.841 0.000 4.240) 4.322 2.916 ( -0.138 0.000 2.507) 2.511 3.319 ( 4.619 0.000 3.874) 6.028 3.390 ( -2.699 0.000 -0.696) 2.787 3.588 ( 5.009 0.000 -0.948) 5.098 3.628 ( 6.907 0.000 -6.043) 9.177 3.686 ( -1.510 0.000 0.641) 1.640 3.782 ( -5.548 0.000 -7.782) 9.557 5.239 ( 7.692 0.000 -0.795) 7.733 5.288 ( 2.757 0.000 -5.215) 5.899 5.711 ( 13.341 0.000 9.156) 16.180 5.897 ( -0.922 0.000 -4.871) 4.957 5.928 ( 0.998 0.000 2.669) 2.850 5.989 ( -0.502 0.000 -0.655) 0.825 7.014 ( 0.811 0.000 8.937) 8.974 7.080 ( -5.374 0.000 4.971) 7.321 7.808 ( 5.237 0.000 -10.294) 11.549 7.833 ( 3.850 0.000 -13.708) 14.239 8.254 ( 4.516 0.000 2.611) 5.217 8.390 ( -8.120 0.000 -10.284) 13.103 9.226 ( 4.295 0.000 0.792) 4.368 9.256 ( 8.504 0.000 10.248) 13.317 9.283 ( -4.353 0.000 -5.832) 7.278 9.360 ( -2.511 0.000 3.254) 4.111 9.889 ( 18.990 0.000 2.685) 19.179 10.005 ( 13.385 0.000 -7.051) 15.128 10.263 ( 4.201 0.000 5.529) 6.944 10.343 ( -5.867 0.000 -1.492) 6.054 10.832 ( 10.585 0.000 4.275) 11.415 10.864 ( 7.361 0.000 1.061) 7.438 11.251 ( 17.736 0.000 12.922) 21.944 11.254 ( 9.003 0.000 3.402) 9.624 11.455 ( 3.567 0.000 12.603) 13.098 11.754 ( -5.321 0.000 5.781) 7.857 12.021 ( 12.660 0.000 -5.151) 13.668 12.211 ( 10.980 0.000 0.756) 11.006 12.341 ( -1.579 0.000 -6.693) 6.877 12.356 ( -9.192 0.000 -1.033) 9.250 12.687 ( -4.176 0.000 7.489) 8.575 12.732 ( -18.030 0.000 -3.894) 18.446 13.051 ( 4.310 0.000 -4.943) 6.559 13.111 ( -0.965 0.000 -14.065) 14.098 13.592 ( -0.209 0.000 2.022) 2.033 13.596 ( -1.080 0.000 2.287) 2.529 14.179 ( -0.906 0.000 -2.517) 2.675 14.285 ( -11.515 0.000 -11.153) 16.031 15.346 ( 16.853 0.000 6.570) 18.089 15.535 ( -1.437 0.000 -10.232) 10.332 16.628 ( -0.207 0.000 8.039) 8.042 16.740 ( -12.322 0.000 -2.690) 12.612 17.122 ( -5.588 0.000 3.675) 6.688 17.183 ( -12.709 0.000 -0.880) 12.740 17.766 ( -4.279 0.000 0.831) 4.359 17.769 ( -4.367 0.000 1.805) 4.725 18.220 ( -5.292 0.000 -1.420) 5.480 18.226 ( -6.150 0.000 -2.205) 6.533 20.255 ( -0.405 0.000 2.258) 2.294 20.275 ( -2.404 0.000 0.389) 2.436 20.767 ( -0.182 0.000 -0.414) 0.453 20.790 ( -2.530 0.000 -2.572) 3.608 22.217 ( 4.737 0.000 1.266) 4.903 22.223 ( 3.922 0.000 0.807) 4.004 22.466 ( 2.868 0.000 3.721) 4.698 22.528 ( -3.523 0.000 -1.923) 4.014 22.772 ( -0.245 0.000 1.438) 1.458 22.794 ( -2.381 0.000 -0.784) 2.507 23.898 ( 5.494 0.000 -1.373) 5.663 23.901 ( 5.322 0.000 -1.864) 5.639 24.445 ( -0.508 0.000 4.132) 4.163 24.479 ( -3.850 0.000 0.839) 3.940 25.825 ( 4.711 0.000 1.604) 4.977 25.878 ( -0.555 0.000 -3.160) 3.209 26.053 ( 2.944 0.000 -1.559) 3.331 26.053 ( 3.026 0.000 -1.729) 3.485 27.049 ( 3.849 0.000 1.488) 4.127 27.060 ( 2.689 0.000 0.609) 2.757 27.801 ( 0.380 0.000 1.570) 1.615 27.843 ( -3.784 0.000 -2.156) 4.355 29.586 ( 2.458 0.000 3.717) 4.457 29.621 ( -1.083 0.000 1.126) 1.562 30.274 ( 3.815 0.000 -2.489) 4.555 30.340 ( -3.026 0.000 -7.794) 8.361 32.432 ( 1.680 0.000 6.278) 6.499 32.478 ( -2.794 0.000 2.244) 3.583 33.053 ( 0.769 0.000 0.807) 1.115 33.108 ( -4.671 0.000 -3.865) 6.063 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 9.382 22.943) 24.787 1.909 ( 0.000 8.794 22.087) 23.773 2.164 ( 0.000 2.856 -14.888) 15.159 2.185 ( 0.000 0.649 -3.694) 3.751 2.739 ( 0.000 7.044 12.494) 14.343 2.823 ( 0.000 10.216 4.778) 11.278 3.214 ( 0.000 3.332 4.617) 5.694 3.323 ( 0.000 -1.815 3.886) 4.289 3.383 ( 0.000 2.083 -9.632) 9.854 3.394 ( 0.000 -1.973 -2.578) 3.247 3.685 ( 0.000 0.528 2.383) 2.441 3.780 ( 0.000 -0.700 -5.904) 5.945 4.395 ( 0.000 2.531 18.117) 18.293 4.681 ( 0.000 3.468 -5.826) 6.780 4.989 ( 0.000 -3.205 19.875) 20.132 5.358 ( 0.000 3.844 -11.458) 12.086 5.386 ( 0.000 9.941 2.986) 10.380 5.587 ( 0.000 11.734 -14.735) 18.836 6.128 ( 0.000 20.615 38.009) 43.239 6.816 ( 0.000 -14.608 5.449) 15.592 6.942 ( 0.000 -0.187 -9.107) 9.109 7.009 ( 0.000 -21.752 -11.275) 24.501 7.557 ( 0.000 -14.790 -9.636) 17.652 7.849 ( 0.000 7.270 -43.643) 44.245 8.229 ( 0.000 -1.174 11.164) 11.225 8.381 ( 0.000 -9.470 -2.602) 9.821 8.997 ( 0.000 -29.386 10.962) 31.364 9.095 ( 0.000 -0.862 0.474) 0.984 9.160 ( 0.000 3.698 -6.596) 7.562 9.181 ( 0.000 -27.333 -6.465) 28.087 10.031 ( 0.000 5.055 2.528) 5.652 10.122 ( 0.000 7.351 -5.255) 9.036 10.256 ( 0.000 16.041 20.814) 26.278 10.663 ( 0.000 9.417 -13.821) 16.725 10.851 ( 0.000 -7.260 21.804) 22.981 11.045 ( 0.000 3.781 5.515) 6.687 11.047 ( 0.000 -13.120 -0.225) 13.122 11.152 ( 0.000 4.282 -4.102) 5.930 11.500 ( 0.000 10.758 -0.215) 10.760 11.642 ( 0.000 4.729 18.498) 19.093 11.861 ( 0.000 1.342 -24.286) 24.323 12.017 ( 0.000 0.116 -14.346) 14.346 12.517 ( 0.000 8.067 8.156) 11.472 12.836 ( 0.000 -0.042 -16.111) 16.111 13.158 ( 0.000 -3.715 4.449) 5.796 13.295 ( 0.000 -4.937 -6.973) 8.544 13.568 ( 0.000 -1.748 30.895) 30.945 14.065 ( 0.000 -7.218 -7.400) 10.337 14.314 ( 0.000 5.870 2.453) 6.362 14.551 ( 0.000 7.350 -20.646) 21.916 15.955 ( 0.000 -13.738 14.985) 20.330 16.169 ( 0.000 -16.432 -3.086) 16.720 16.976 ( 0.000 5.929 25.545) 26.224 17.370 ( 0.000 -0.934 24.289) 24.307 17.469 ( 0.000 -1.016 -11.679) 11.723 17.815 ( 0.000 5.363 1.434) 5.551 17.883 ( 0.000 -0.372 -22.532) 22.535 18.125 ( 0.000 2.324 -19.348) 19.487 19.647 ( 0.000 -11.606 7.030) 13.569 19.824 ( 0.000 -3.500 -8.268) 8.978 20.579 ( 0.000 0.194 1.345) 1.359 20.616 ( 0.000 -0.006 -2.079) 2.079 20.959 ( 0.000 -1.191 6.437) 6.546 21.069 ( 0.000 -2.878 -4.444) 5.295 21.618 ( 0.000 13.127 7.700) 15.219 21.774 ( 0.000 13.118 -6.110) 14.471 22.207 ( 0.000 0.505 15.281) 15.290 22.537 ( 0.000 0.244 -14.930) 14.932 22.942 ( 0.000 0.035 0.291) 0.293 22.949 ( 0.000 0.042 -0.286) 0.289 23.230 ( 0.000 0.051 0.387) 0.390 23.240 ( 0.000 0.572 -0.460) 0.734 24.382 ( 0.000 -17.664 22.820) 28.858 24.769 ( 0.000 -4.117 -11.420) 12.139 25.019 ( 0.000 -12.718 15.101) 19.743 25.293 ( 0.000 -0.135 1.593) 1.599 25.315 ( 0.000 -0.333 -0.464) 0.571 25.446 ( 0.000 -6.475 -20.629) 21.621 26.528 ( 0.000 1.409 5.537) 5.713 26.624 ( 0.000 1.982 -3.195) 3.760 28.069 ( 0.000 -3.258 12.438) 12.858 28.337 ( 0.000 2.457 -13.108) 13.337 29.313 ( 0.000 -0.278 0.267) 0.386 29.319 ( 0.000 -0.343 -0.285) 0.446 30.333 ( 0.000 13.946 15.246) 20.663 30.718 ( 0.000 17.468 -20.722) 27.103 32.686 ( 0.000 -2.267 10.465) 10.707 32.878 ( 0.000 2.756 -6.160) 6.748 33.373 ( 0.000 8.733 2.189) 9.003 33.529 ( 0.000 4.780 -9.285) 10.443 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 7.744 7.303 17.960) 20.877 2.005 ( 16.393 6.282 14.411) 22.712 2.238 ( 7.435 1.003 -2.249) 7.833 2.301 ( 11.619 1.933 -8.913) 14.771 2.763 ( 2.734 6.233 10.760) 12.732 2.836 ( 1.596 9.569 4.441) 10.669 3.165 ( -2.779 1.489 4.607) 5.582 3.317 ( -1.625 1.024 -7.343) 7.590 3.404 ( 5.204 1.302 2.958) 6.126 3.478 ( 3.783 0.930 -3.527) 5.255 3.689 ( 0.572 0.130 2.607) 2.672 3.790 ( 1.234 -0.898 -6.127) 6.314 4.592 ( 17.266 5.099 14.260) 22.967 4.775 ( 8.289 5.159 -2.342) 10.040 5.088 ( 10.940 -4.799 18.403) 21.941 5.426 ( 4.278 9.667 -1.365) 10.659 5.475 ( 9.971 5.630 -6.676) 13.255 5.725 ( 13.382 10.151 -18.723) 25.154 6.272 ( 17.170 18.633 37.306) 45.097 6.770 ( -3.613 -11.391 -0.884) 11.983 7.043 ( 12.688 -12.460 0.911) 17.806 7.216 ( 15.438 -15.222 -7.972) 23.100 7.566 ( 2.278 -13.653 -7.487) 15.737 7.928 ( 9.762 9.281 -46.806) 48.705 8.374 ( 12.112 -2.276 8.920) 15.213 8.485 ( 9.240 -8.290 -1.309) 12.482 9.020 ( 3.370 -24.215 10.720) 26.695 9.113 ( 2.066 -3.762 -0.256) 4.300 9.195 ( 4.708 -11.354 -3.039) 12.661 9.307 ( 10.265 -11.870 -8.504) 17.849 10.065 ( 0.881 3.398 2.809) 4.496 10.097 ( 1.422 6.610 -0.505) 6.780 10.331 ( 3.648 11.605 14.597) 19.002 10.624 ( -5.441 9.278 -6.821) 12.736 10.781 ( 1.255 1.150 17.115) 17.199 11.011 ( 2.749 -11.723 -3.269) 12.477 11.180 ( 7.578 -2.031 2.945) 8.380 11.269 ( 6.938 5.581 -5.029) 10.226 11.492 ( -5.335 6.959 -4.488) 9.850 11.593 ( -2.847 6.332 -5.966) 9.154 11.736 ( 4.652 6.533 16.628) 18.461 12.245 ( 11.208 -4.123 -18.115) 21.697 12.610 ( 7.958 6.337 1.952) 10.358 12.812 ( 1.347 -0.499 -7.467) 7.604 13.150 ( -2.426 -4.949 4.688) 7.236 13.278 ( -0.370 -4.741 -5.050) 6.937 13.707 ( 10.094 5.996 19.703) 22.936 14.091 ( 1.190 -2.806 -4.975) 5.835 14.338 ( 2.378 4.648 1.368) 5.397 14.537 ( 0.427 1.734 -17.809) 17.899 15.739 ( -21.967 -8.206 15.455) 28.085 15.986 ( -17.114 -12.366 -5.480) 21.813 16.767 ( -12.195 -0.469 25.478) 28.250 17.286 ( -13.250 -4.715 -17.113) 22.151 17.542 ( 5.043 -0.221 15.452) 16.255 17.774 ( 1.602 1.492 9.313) 9.567 17.967 ( -0.675 1.943 -17.100) 17.223 18.132 ( 1.311 1.163 -15.915) 16.012 19.431 ( -20.973 -9.800 6.467) 24.036 19.587 ( -22.063 -2.461 -7.155) 23.324 20.488 ( -7.819 -0.557 3.422) 8.553 20.564 ( -4.198 -0.176 -3.633) 5.555 20.989 ( -1.642 1.221 3.254) 3.844 21.074 ( 1.027 -0.095 -4.596) 4.710 21.687 ( 7.513 10.848 7.614) 15.235 21.824 ( 5.613 11.292 -4.647) 13.439 22.252 ( 4.220 0.877 14.682) 15.302 22.570 ( 2.789 0.501 -14.381) 14.657 22.925 ( -2.273 0.432 1.557) 2.789 22.939 ( -0.619 0.262 -0.111) 0.681 23.303 ( 7.274 0.142 1.024) 7.347 23.312 ( 7.299 0.461 -0.006) 7.314 24.476 ( 5.887 -9.837 12.235) 16.767 24.723 ( -3.771 -2.617 -8.515) 9.673 25.059 ( 7.197 -17.708 15.689) 24.729 25.365 ( 7.340 -6.590 -7.850) 12.606 25.462 ( 12.706 -0.543 1.098) 12.765 25.569 ( 10.822 -2.556 -12.520) 16.745 26.555 ( 2.935 -0.618 5.195) 5.999 26.643 ( 2.069 -0.144 -2.728) 3.427 28.023 ( -4.355 -2.211 11.699) 12.678 28.266 ( -6.545 2.548 -11.161) 13.187 29.367 ( 4.888 0.424 1.123) 5.033 29.404 ( 8.292 0.052 -2.546) 8.675 30.315 ( -1.795 13.128 14.624) 19.734 30.684 ( -3.359 16.545 -19.797) 26.018 32.628 ( -5.617 -1.882 10.191) 11.787 32.794 ( -7.468 3.522 -4.704) 9.503 33.318 ( -5.001 7.337 4.715) 10.053 33.483 ( -4.335 4.163 -8.868) 10.713 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 7.097 3.718 9.516) 12.439 2.192 ( 5.497 5.138 3.745) 8.405 2.480 ( 12.170 -0.445 3.483) 12.666 2.530 ( 11.631 0.546 -1.036) 11.690 2.842 ( 4.590 3.992 6.316) 8.770 2.880 ( 2.410 6.482 3.226) 7.631 3.150 ( 1.753 1.272 5.400) 5.818 3.324 ( 2.713 2.882 -9.026) 9.856 3.493 ( 3.867 4.077 1.164) 5.738 3.522 ( 0.994 3.060 -1.167) 3.422 3.706 ( 1.011 -0.161 3.508) 3.654 3.826 ( 2.084 -1.192 -6.929) 7.333 4.906 ( 13.247 7.515 8.301) 17.346 4.981 ( 14.485 9.915 2.816) 17.778 5.374 ( 14.337 -2.438 11.033) 18.254 5.509 ( 7.370 11.551 13.543) 19.266 5.717 ( 12.861 1.426 -14.199) 19.210 5.994 ( 11.309 10.109 -24.287) 28.634 6.689 ( 9.888 -2.372 12.839) 16.378 6.783 ( 12.699 -7.618 5.718) 15.874 7.384 ( 21.850 -6.410 11.640) 25.574 7.500 ( 16.390 -9.759 -0.418) 19.080 7.714 ( 14.222 -9.047 -2.326) 17.015 8.262 ( 22.306 2.624 -36.434) 42.800 8.549 ( 5.486 -0.272 4.510) 7.107 8.686 ( 10.202 -0.971 -6.324) 12.042 9.121 ( 5.850 -18.817 5.811) 20.544 9.200 ( 7.854 -4.513 3.919) 9.869 9.333 ( 10.099 -20.275 -0.539) 22.657 9.529 ( 10.557 -4.860 -10.208) 15.468 10.013 ( -4.833 -4.202 6.685) 9.258 10.112 ( -0.827 0.296 -1.879) 2.074 10.446 ( 8.717 6.907 6.085) 12.678 10.568 ( 3.462 7.189 -2.727) 8.432 10.909 ( 9.561 11.004 16.851) 22.281 11.157 ( 4.145 -5.450 2.367) 7.244 11.201 ( 0.343 7.103 -6.108) 9.374 11.359 ( 11.379 -0.703 -8.786) 14.393 11.556 ( 10.843 0.479 5.806) 12.309 11.711 ( 9.378 5.619 -6.743) 12.845 11.889 ( 12.375 7.044 17.840) 22.826 12.431 ( 9.032 -3.471 -21.414) 23.499 12.721 ( 3.950 -2.275 10.273) 11.239 12.929 ( 5.176 2.438 -0.067) 5.722 13.100 ( -0.568 -4.237 -1.123) 4.420 13.257 ( -1.907 -3.064 -10.840) 11.425 13.824 ( 0.886 18.346 9.583) 20.717 14.039 ( -7.652 9.010 -6.102) 13.303 14.406 ( 4.948 -0.566 7.479) 8.985 14.608 ( 3.633 -8.130 -10.359) 13.660 15.218 ( -27.011 -1.960 18.164) 32.609 15.620 ( -17.510 -7.073 -16.685) 25.199 16.603 ( -5.441 -7.046 21.522) 23.290 17.038 ( -12.117 -9.878 -16.977) 23.079 17.483 ( -8.118 -0.792 11.605) 14.185 17.761 ( -8.480 -3.294 -6.925) 11.434 17.918 ( -1.625 1.348 2.858) 3.554 18.094 ( -6.533 -1.184 -6.872) 9.555 18.927 ( -28.797 -6.145 5.880) 30.027 19.068 ( -29.767 -0.417 -6.550) 30.482 20.359 ( -5.192 -0.105 3.788) 6.428 20.455 ( -6.258 0.421 -4.807) 7.902 20.923 ( -3.822 4.117 4.047) 6.924 21.041 ( -4.258 4.469 -6.650) 9.073 21.886 ( 11.831 6.611 5.793) 14.739 21.977 ( 9.320 7.562 -2.338) 12.227 22.347 ( 5.228 2.187 12.685) 13.894 22.616 ( 1.466 1.548 -11.922) 12.111 22.870 ( -3.153 0.917 3.471) 4.778 22.911 ( -2.222 0.584 -0.912) 2.471 23.491 ( 11.619 0.003 0.900) 11.653 23.500 ( 11.491 0.148 0.072) 11.492 24.516 ( -1.026 -1.478 5.936) 6.203 24.646 ( -4.172 -0.868 -5.622) 7.055 25.311 ( 16.336 -18.302 10.977) 26.876 25.557 ( 11.638 -9.291 -10.474) 18.206 25.714 ( 12.137 -0.489 1.112) 12.198 25.791 ( 10.960 -0.846 -7.174) 13.127 26.642 ( 5.919 -6.076 4.054) 9.402 26.705 ( 4.295 -5.701 -1.466) 7.287 27.927 ( -4.897 -0.182 9.526) 10.712 28.122 ( -7.823 2.380 -8.380) 11.708 29.487 ( 7.129 3.121 3.601) 8.575 29.587 ( 9.722 2.808 -5.714) 11.621 30.271 ( -2.488 10.086 12.502) 16.255 30.596 ( -5.596 13.424 -17.344) 22.635 32.505 ( -6.065 -0.563 10.312) 11.976 32.649 ( -6.742 2.357 -3.123) 7.795 33.210 ( -5.730 4.914 6.327) 9.849 33.376 ( -6.580 3.116 -8.199) 10.965 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 3.637 1.483 5.811) 7.014 2.276 ( 2.893 3.668 0.864) 4.751 2.657 ( 7.096 1.805 4.569) 8.630 2.711 ( 6.652 0.384 0.109) 6.664 2.894 ( 0.794 1.804 4.423) 4.842 2.916 ( 1.181 1.812 1.174) 2.461 3.230 ( 5.730 1.482 5.970) 8.406 3.404 ( 3.881 1.643 -8.113) 9.142 3.532 ( 1.327 3.443 1.217) 3.885 3.568 ( 4.125 5.417 -2.908) 7.404 3.718 ( 0.033 0.479 3.348) 3.382 3.843 ( -0.738 -0.556 -7.557) 7.613 5.155 ( 13.353 11.648 5.772) 18.636 5.287 ( 15.182 12.267 -2.947) 19.740 5.535 ( 7.295 6.704 15.007) 17.982 5.758 ( 13.309 1.513 12.332) 18.207 5.917 ( 7.306 2.259 -12.236) 14.429 6.117 ( 2.274 10.256 -16.986) 19.972 6.733 ( -0.121 -14.601 4.465) 15.269 6.918 ( -1.969 -16.476 -9.798) 19.270 7.660 ( 11.691 3.462 6.430) 13.785 7.859 ( 12.923 1.705 -10.492) 16.733 8.192 ( 21.187 0.029 17.939) 27.761 8.525 ( 8.079 -5.870 -3.040) 10.439 8.653 ( 5.584 -2.550 -0.204) 6.142 8.886 ( 10.205 -7.600 -6.938) 14.492 9.270 ( 6.327 -13.672 1.338) 15.124 9.400 ( 8.661 -4.610 5.669) 11.331 9.493 ( 1.682 -14.500 -8.684) 16.986 9.629 ( 12.160 -4.447 -9.770) 16.220 10.096 ( 13.298 -1.318 4.569) 14.123 10.172 ( 11.170 -6.625 -2.741) 13.273 10.605 ( 8.810 2.327 5.629) 10.711 10.737 ( 9.096 8.867 -6.386) 14.218 11.074 ( 6.192 7.684 13.977) 17.109 11.195 ( 8.259 4.000 11.139) 14.432 11.328 ( 4.658 1.345 4.079) 6.336 11.604 ( 11.800 -0.032 -13.194) 17.701 11.770 ( 11.853 -2.076 7.913) 14.402 11.994 ( 18.413 2.199 -9.066) 20.641 12.171 ( 14.391 6.859 15.653) 22.342 12.605 ( 8.205 4.742 -16.440) 18.976 12.752 ( -0.930 -3.492 11.855) 12.393 12.904 ( -4.619 -3.035 3.460) 6.520 13.079 ( -6.668 -0.701 -7.136) 9.792 13.229 ( -1.746 1.658 -16.591) 16.764 13.776 ( -4.704 16.279 4.773) 17.605 13.849 ( -9.355 17.102 -1.865) 19.583 14.328 ( -13.928 -2.398 8.252) 16.366 14.521 ( -12.604 -5.488 -9.054) 16.461 15.022 ( 9.660 -1.385 15.540) 18.350 15.454 ( 0.908 -5.419 -21.618) 22.305 16.531 ( -2.644 -10.213 15.374) 18.646 16.816 ( -11.502 -13.015 -10.635) 20.367 17.273 ( -13.467 -3.664 8.886) 16.545 17.476 ( -20.236 -4.863 -7.998) 22.295 17.830 ( -7.609 -4.249 4.993) 10.044 17.905 ( -11.265 -2.161 -1.389) 11.554 18.451 ( -17.887 -0.549 3.610) 18.256 18.549 ( -21.417 2.373 -4.839) 22.085 20.284 ( -2.787 0.617 2.891) 4.063 20.348 ( -4.534 0.760 -2.741) 5.353 20.865 ( -2.055 6.064 2.202) 6.771 20.948 ( -4.706 6.470 -5.241) 9.564 22.099 ( 9.632 3.363 3.440) 10.766 22.149 ( 7.963 4.641 -0.920) 9.263 22.440 ( 4.179 3.528 8.894) 10.441 22.614 ( -1.743 2.632 -6.915) 7.601 22.815 ( -2.355 1.356 3.284) 4.263 22.861 ( -2.691 1.181 -1.452) 3.278 23.720 ( 11.352 -0.356 -0.241) 11.360 23.726 ( 11.334 -0.163 -0.694) 11.357 24.476 ( -2.481 -0.418 5.132) 5.716 24.561 ( -4.674 -0.474 -2.705) 5.421 25.603 ( 13.043 -9.561 6.232) 17.331 25.763 ( 8.484 -6.507 -7.953) 13.326 25.908 ( 8.020 -1.250 0.419) 8.128 25.960 ( 6.468 -0.553 -4.469) 7.881 26.763 ( 5.925 -12.354 2.507) 13.929 26.795 ( 4.556 -12.018 -0.108) 12.853 27.854 ( -2.462 1.388 5.995) 6.628 27.983 ( -6.379 2.220 -5.686) 8.829 29.625 ( 6.887 7.611 5.431) 11.613 29.745 ( 6.022 9.666 -4.772) 12.348 30.236 ( -0.599 3.846 7.298) 8.271 30.479 ( -6.295 8.200 -14.044) 17.438 32.427 ( -1.819 -0.171 9.211) 9.390 32.544 ( -4.274 0.589 -1.451) 4.552 33.114 ( -3.811 3.274 4.508) 6.750 33.243 ( -6.809 2.261 -6.759) 9.857 ======================= Grid point 139 (50/60) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 1.817 1.213 3.732) 4.325 2.302 ( 0.042 1.766 1.758) 2.492 2.756 ( 3.066 2.817 2.529) 4.871 2.788 ( 1.486 2.964 0.046) 3.315 2.901 ( 0.268 0.021 3.601) 3.611 2.921 ( -0.260 0.345 1.391) 1.457 3.336 ( 4.755 1.596 4.428) 6.691 3.413 ( -2.324 1.876 -0.754) 3.080 3.599 ( 4.249 1.076 -0.365) 4.398 3.648 ( 2.613 1.280 -4.279) 5.175 3.708 ( -0.133 2.383 -0.465) 2.432 3.799 ( -3.237 1.625 -7.294) 8.144 5.379 ( 8.560 13.100 2.743) 15.887 5.454 ( 1.504 14.650 -3.101) 15.050 5.766 ( 14.803 5.118 9.426) 18.281 5.934 ( 3.873 2.128 2.499) 5.077 6.001 ( 2.259 4.937 -2.060) 5.807 6.086 ( -5.665 10.998 -2.652) 12.653 6.714 ( -0.626 -16.088 -0.940) 16.128 6.820 ( -5.235 -21.254 -8.218) 23.381 7.857 ( 6.814 8.420 4.255) 11.637 8.069 ( 9.253 3.967 -11.964) 15.636 8.294 ( -0.415 5.730 4.939) 7.576 8.439 ( -9.561 3.629 -7.216) 12.516 8.873 ( 8.324 -24.773 2.920) 26.296 8.994 ( -1.998 -18.768 -6.289) 19.894 9.256 ( -1.775 -5.937 5.861) 8.529 9.361 ( -4.358 -5.071 -0.019) 6.687 9.746 ( 16.491 -13.755 7.060) 22.605 9.957 ( 9.926 -9.301 -7.629) 15.596 10.406 ( 14.611 10.643 2.627) 18.267 10.425 ( 9.819 6.093 -1.765) 11.690 10.728 ( 2.864 -1.455 9.176) 9.722 10.876 ( 4.507 1.484 -2.886) 5.554 11.194 ( 5.946 -0.582 8.017) 9.998 11.275 ( -1.434 -6.163 3.946) 7.457 11.472 ( 10.154 3.741 19.097) 21.950 11.816 ( 4.730 5.209 -6.437) 9.536 11.969 ( 11.543 0.079 3.497) 12.062 12.202 ( -0.681 0.358 1.399) 1.597 12.361 ( 6.593 8.363 2.799) 11.011 12.600 ( -12.042 7.354 -6.493) 15.532 12.738 ( -1.603 4.539 0.042) 4.813 12.774 ( -5.759 4.964 4.326) 8.748 13.012 ( 7.209 -2.960 -7.373) 10.728 13.149 ( -5.270 1.549 -17.888) 18.713 13.689 ( -2.280 8.871 2.817) 9.583 13.726 ( -4.834 11.886 0.093) 12.832 14.169 ( -0.612 0.173 -1.489) 1.619 14.271 ( -9.917 -0.814 -10.153) 14.215 15.337 ( 17.555 -0.984 6.651) 18.798 15.516 ( 0.488 -2.148 -9.375) 9.631 16.483 ( -1.983 -12.904 7.207) 14.913 16.581 ( -11.460 -14.634 -1.774) 18.672 17.028 ( -8.198 -7.143 3.482) 11.418 17.112 ( -12.431 -5.968 -2.788) 14.069 17.709 ( -3.116 -4.592 2.643) 6.146 17.733 ( -5.552 -3.210 0.477) 6.430 18.248 ( -4.539 2.340 1.188) 5.243 18.290 ( -6.148 3.538 -2.593) 7.552 20.249 ( -0.885 0.423 2.222) 2.428 20.286 ( -1.775 1.430 -0.858) 2.436 20.847 ( 0.224 6.839 -0.329) 6.850 20.875 ( -2.640 7.050 -2.845) 8.047 22.240 ( 4.517 1.882 1.568) 5.139 22.261 ( 3.076 2.701 -0.148) 4.096 22.503 ( 2.606 3.383 4.239) 6.017 22.560 ( -3.377 2.807 -0.964) 4.496 22.790 ( -0.199 2.078 1.795) 2.753 22.817 ( -1.679 2.473 -0.732) 3.077 23.890 ( 5.317 -0.601 -1.286) 5.504 23.898 ( 5.323 -0.396 -2.057) 5.720 24.440 ( -0.563 -0.401 4.028) 4.087 24.475 ( -3.777 -0.433 0.789) 3.883 25.793 ( 6.458 -3.246 2.177) 7.548 25.853 ( 0.804 -2.322 -3.089) 3.947 26.018 ( 3.114 -2.505 -0.823) 4.080 26.043 ( 2.195 -1.521 -2.829) 3.890 26.845 ( 2.241 -16.249 1.737) 16.495 26.862 ( 1.956 -15.891 0.385) 16.016 27.838 ( 0.797 2.113 1.746) 2.855 27.884 ( -3.798 2.243 -2.352) 4.999 29.740 ( 4.874 12.784 5.237) 14.649 29.798 ( -0.567 15.171 1.259) 15.233 30.265 ( 3.668 -0.800 -2.209) 4.356 30.361 ( -5.859 2.323 -9.653) 11.529 32.429 ( 1.627 -0.332 6.352) 6.566 32.476 ( -3.010 -0.232 2.236) 3.757 33.079 ( 0.374 2.313 0.300) 2.363 33.129 ( -4.650 1.952 -3.995) 6.433 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 12.770 11.595) 17.249 2.089 ( 0.000 7.115 12.628) 14.495 2.234 ( 0.000 3.717 -0.510) 3.752 2.237 ( 0.000 3.827 -10.047) 10.752 2.892 ( 0.000 6.888 11.195) 13.144 3.036 ( 0.000 8.191 -0.005) 8.191 3.281 ( 0.000 -1.934 4.504) 4.902 3.291 ( 0.000 4.411 2.415) 5.029 3.363 ( 0.000 -0.831 -2.999) 3.112 3.438 ( 0.000 3.507 -9.650) 10.267 3.712 ( 0.000 2.165 0.961) 2.369 3.775 ( 0.000 0.521 -5.248) 5.274 4.457 ( 0.000 3.732 17.655) 18.045 4.778 ( 0.000 5.095 -10.377) 11.560 5.027 ( 0.000 6.761 18.851) 20.027 5.420 ( 0.000 3.366 -17.714) 18.031 5.475 ( 0.000 -2.544 15.991) 16.192 5.897 ( 0.000 10.682 -16.998) 20.076 6.513 ( 0.000 -3.164 28.647) 28.821 6.544 ( 0.000 -15.127 -0.993) 15.159 6.665 ( 0.000 3.313 -11.558) 12.023 6.887 ( 0.000 1.441 5.469) 5.655 7.176 ( 0.000 -8.974 14.631) 17.164 8.029 ( 0.000 -18.561 8.333) 20.346 8.090 ( 0.000 12.163 -45.561) 47.157 8.173 ( 0.000 -10.242 -3.467) 10.813 8.614 ( 0.000 -7.884 5.480) 9.602 8.781 ( 0.000 -6.851 -14.152) 15.724 9.069 ( 0.000 -0.752 7.737) 7.773 9.196 ( 0.000 -0.784 -2.345) 2.473 10.165 ( 0.000 6.472 0.656) 6.505 10.249 ( 0.000 -23.263 17.531) 29.129 10.254 ( 0.000 4.649 -6.541) 8.025 10.569 ( 0.000 -16.294 8.985) 18.607 10.605 ( 0.000 -3.885 5.152) 6.453 11.052 ( 0.000 7.542 -9.914) 12.456 11.186 ( 0.000 9.375 6.394) 11.348 11.303 ( 0.000 10.262 -4.187) 11.083 11.687 ( 0.000 7.207 7.624) 10.491 11.749 ( 0.000 5.118 11.874) 12.930 11.895 ( 0.000 1.720 -13.857) 13.963 12.009 ( 0.000 -1.185 -10.481) 10.547 12.711 ( 0.000 6.838 -5.818) 8.978 12.792 ( 0.000 -2.103 -12.846) 13.017 13.058 ( 0.000 -5.460 2.638) 6.064 13.158 ( 0.000 -7.832 -5.554) 9.601 13.467 ( 0.000 -5.741 17.254) 18.184 13.810 ( 0.000 -15.247 -12.693) 19.839 14.541 ( 0.000 15.075 9.087) 17.602 14.776 ( 0.000 10.730 -12.495) 16.470 15.657 ( 0.000 -12.082 14.728) 19.049 15.846 ( 0.000 -13.333 -2.207) 13.515 17.154 ( 0.000 9.170 24.752) 26.396 17.347 ( 0.000 -1.152 24.976) 25.002 17.541 ( 0.000 6.224 -1.566) 6.418 17.874 ( 0.000 -0.455 -23.111) 23.116 17.923 ( 0.000 6.547 -5.234) 8.382 18.167 ( 0.000 1.982 -18.502) 18.608 19.353 ( 0.000 -15.620 8.627) 17.844 19.656 ( 0.000 -12.194 -17.254) 21.127 20.583 ( 0.000 0.205 1.035) 1.055 20.616 ( 0.000 0.054 -2.069) 2.069 20.960 ( 0.000 0.553 4.984) 5.015 21.044 ( 0.000 0.534 -2.491) 2.548 21.908 ( 0.000 13.684 8.582) 16.152 22.045 ( 0.000 11.825 -3.817) 12.426 22.219 ( 0.000 0.621 15.302) 15.314 22.543 ( 0.000 0.246 -14.298) 14.300 22.943 ( 0.000 0.042 0.299) 0.302 22.950 ( 0.000 0.048 -0.291) 0.295 23.232 ( 0.000 0.093 0.919) 0.924 23.254 ( 0.000 0.711 -1.057) 1.274 24.027 ( 0.000 -13.903 36.018) 38.608 24.665 ( 0.000 -5.913 -22.201) 22.975 24.867 ( 0.000 -3.659 15.350) 15.780 25.289 ( 0.000 -0.269 1.326) 1.352 25.306 ( 0.000 -5.462 -23.297) 23.929 25.308 ( 0.000 -0.297 -0.430) 0.522 26.550 ( 0.000 0.845 5.472) 5.537 26.632 ( 0.000 -0.901 -1.769) 1.985 28.023 ( 0.000 -1.775 13.975) 14.088 28.323 ( 0.000 -2.568 -13.342) 13.587 29.306 ( 0.000 -0.332 0.180) 0.377 29.310 ( 0.000 -0.448 -0.202) 0.491 30.613 ( 0.000 11.433 14.941) 18.813 30.998 ( 0.000 8.881 -20.554) 22.391 32.675 ( 0.000 0.695 15.095) 15.111 32.909 ( 0.000 0.732 -3.869) 3.938 33.533 ( 0.000 5.907 -3.594) 6.914 33.654 ( 0.000 6.277 -11.947) 13.495 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 3.852 5.430 11.088) 12.933 2.159 ( 11.061 8.097 6.924) 15.357 2.283 ( 5.789 2.524 0.554) 6.340 2.346 ( 9.210 2.038 -5.689) 11.016 2.894 ( 0.646 5.463 9.399) 10.891 3.025 ( -1.081 6.038 -1.052) 6.224 3.198 ( -2.681 1.969 5.485) 6.415 3.359 ( 1.525 2.813 -6.420) 7.173 3.451 ( 8.632 3.413 0.688) 9.307 3.504 ( 5.498 1.958 -3.688) 6.904 3.711 ( 0.008 2.135 1.241) 2.470 3.780 ( 0.673 0.307 -5.400) 5.450 4.715 ( 23.359 6.718 12.374) 27.274 4.922 ( 13.357 7.962 -5.532) 16.505 5.070 ( 5.323 3.550 19.314) 20.346 5.482 ( 6.730 0.800 -18.470) 19.674 5.652 ( 15.491 3.530 12.981) 20.517 6.007 ( 9.628 14.074 -10.433) 19.990 6.442 ( 1.490 -9.265 8.024) 12.346 6.639 ( 2.139 -3.568 -9.008) 9.922 6.832 ( 17.967 -8.767 7.277) 21.275 6.992 ( 11.095 -1.619 4.424) 12.054 7.273 ( 10.583 -0.746 19.050) 21.805 8.036 ( 2.663 -9.969 -10.385) 14.640 8.240 ( 9.899 -9.778 -11.843) 18.272 8.278 ( 12.144 -5.150 -13.627) 18.966 8.669 ( 5.654 -6.952 4.439) 10.000 8.813 ( 3.999 -5.719 -12.858) 14.630 9.106 ( 3.161 -1.138 8.971) 9.580 9.282 ( 8.389 -2.322 -6.066) 10.610 10.129 ( -3.821 -2.348 7.936) 9.115 10.227 ( 2.777 5.542 -2.823) 6.811 10.445 ( 9.605 -11.767 5.001) 15.991 10.505 ( -3.048 -6.686 14.170) 15.962 10.692 ( 8.144 -7.737 -4.787) 12.211 10.883 ( -7.563 1.740 -6.229) 9.951 11.253 ( 3.840 7.473 7.618) 11.341 11.423 ( 6.597 8.197 -6.560) 12.400 11.642 ( -5.714 7.038 2.362) 9.369 11.718 ( 2.300 5.816 1.323) 6.392 11.866 ( 5.411 4.888 10.586) 12.854 12.207 ( 9.692 -0.285 -14.435) 17.390 12.689 ( -2.148 0.172 -4.829) 5.289 12.803 ( 5.896 -1.025 -12.493) 13.852 13.061 ( -1.516 -1.102 4.333) 4.721 13.181 ( 2.519 -4.608 -6.296) 8.198 13.679 ( 17.614 -6.560 9.667) 21.136 13.911 ( 10.673 -14.713 -9.105) 20.329 14.511 ( -3.057 14.665 8.705) 17.325 14.729 ( -4.819 11.267 -11.139) 16.560 15.531 ( -13.375 -9.462 14.094) 21.611 15.723 ( -12.213 -11.436 -2.542) 16.923 16.819 ( -20.660 4.564 25.594) 33.208 17.301 ( -17.317 4.437 -10.401) 20.682 17.519 ( 0.016 -1.929 11.819) 11.976 17.786 ( -1.468 0.776 1.399) 2.171 18.014 ( 0.034 2.963 -12.352) 12.703 18.161 ( -0.901 1.809 -14.098) 14.242 19.174 ( -17.582 -13.962 9.603) 24.419 19.462 ( -18.557 -9.268 -15.074) 25.642 20.504 ( -6.861 1.613 1.790) 7.272 20.559 ( -3.985 -0.017 -3.727) 5.456 21.015 ( 1.995 1.250 3.051) 3.854 21.089 ( 3.975 1.216 -3.295) 5.304 21.937 ( 3.377 11.950 8.234) 14.900 22.054 ( 1.720 9.293 -1.948) 9.650 22.285 ( 6.118 2.563 13.550) 15.086 22.585 ( 3.835 0.869 -13.487) 14.049 22.936 ( -1.434 0.589 1.382) 2.077 22.945 ( -0.170 0.312 0.156) 0.388 23.306 ( 7.293 0.144 1.337) 7.416 23.324 ( 6.996 0.569 -0.452) 7.034 24.202 ( 16.112 -13.398 25.913) 33.325 24.663 ( -0.886 -3.194 -13.324) 13.730 24.833 ( -0.892 -5.926 12.399) 13.772 25.210 ( 0.830 -6.655 -16.586) 17.890 25.447 ( 12.736 -0.866 1.422) 12.844 25.524 ( 12.729 -1.533 -8.059) 15.144 26.545 ( -0.454 -0.282 5.158) 5.186 26.620 ( -1.152 -1.861 -1.422) 2.611 27.991 ( -3.047 -1.324 12.754) 13.180 28.262 ( -5.787 -1.985 -11.787) 13.280 29.372 ( 6.376 0.048 1.071) 6.465 29.402 ( 9.112 -0.224 -1.719) 9.276 30.586 ( -2.806 11.388 14.613) 18.738 30.964 ( -3.655 9.346 -20.215) 22.569 32.620 ( -5.166 0.728 14.264) 15.188 32.840 ( -6.647 1.261 -4.107) 7.915 33.468 ( -6.253 6.058 -1.438) 8.825 33.592 ( -5.789 5.663 -10.347) 13.140 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.036 2.948 9.411) 10.656 2.295 ( 3.455 3.779 -0.292) 5.129 2.480 ( 12.328 0.317 3.850) 12.919 2.530 ( 9.470 -0.483 -0.573) 9.499 2.920 ( 1.566 2.998 4.875) 5.934 2.995 ( -1.817 2.904 -1.208) 3.632 3.196 ( 2.356 3.255 7.724) 8.707 3.394 ( 2.314 3.073 -9.433) 10.187 3.584 ( 3.155 3.213 1.303) 4.687 3.616 ( 5.984 6.181 -1.681) 8.766 3.718 ( 1.041 1.841 1.922) 2.858 3.804 ( 1.758 -0.607 -5.911) 6.197 5.137 ( 17.212 12.778 9.883) 23.606 5.221 ( 15.136 10.785 8.562) 20.462 5.298 ( 19.870 0.252 5.274) 20.559 5.658 ( 10.407 -5.361 -18.294) 21.719 5.891 ( 6.894 17.662 12.034) 22.456 6.182 ( 6.421 9.805 -6.294) 13.304 6.564 ( 8.964 -5.531 2.277) 10.777 6.749 ( 8.089 3.987 -15.034) 17.532 7.233 ( 21.435 -16.643 2.007) 27.212 7.331 ( 22.642 -10.789 -3.829) 25.372 7.621 ( 27.877 11.607 31.110) 43.355 8.110 ( 4.186 -15.191 -2.009) 15.885 8.426 ( 9.908 -20.083 -1.778) 22.465 8.541 ( 10.598 -6.536 -11.928) 17.243 8.811 ( 9.823 -7.056 0.932) 12.130 8.967 ( 11.078 -6.094 -13.057) 18.175 9.189 ( 5.604 0.350 12.405) 13.617 9.496 ( 12.724 -3.244 -14.193) 19.336 10.018 ( -5.881 6.346 1.729) 8.823 10.129 ( -12.436 0.120 -7.257) 14.399 10.547 ( 10.753 -11.485 13.110) 20.480 10.657 ( 10.563 2.552 4.417) 11.731 10.799 ( 5.881 -1.704 5.711) 8.373 11.006 ( 11.229 -11.240 -13.086) 20.583 11.337 ( 9.450 6.344 14.661) 18.561 11.548 ( 8.776 9.655 -2.915) 13.369 11.635 ( 3.288 8.483 4.482) 10.142 11.805 ( 5.854 4.809 -7.493) 10.656 12.024 ( 11.726 5.040 13.068) 18.266 12.385 ( 10.256 -1.414 -10.125) 14.481 12.705 ( 3.703 1.054 -0.470) 3.879 12.933 ( 1.793 -4.368 -11.099) 12.061 13.061 ( 4.412 3.003 -2.953) 6.100 13.193 ( -0.983 -2.383 -10.512) 10.824 14.030 ( 16.922 -4.224 7.656) 19.048 14.166 ( 12.834 -5.084 -4.236) 14.440 14.422 ( -6.761 10.153 7.424) 14.280 14.584 ( -11.218 9.225 -6.167) 15.779 15.171 ( -20.160 -1.699 14.096) 24.658 15.441 ( -14.539 -9.018 -8.259) 18.998 16.497 ( -12.416 -2.752 20.851) 24.423 16.927 ( -19.597 -0.721 -17.184) 26.075 17.414 ( -9.641 -5.128 13.066) 17.028 17.682 ( -11.065 -4.150 -6.026) 13.265 17.948 ( -7.035 2.172 -1.574) 7.529 18.075 ( -8.572 -0.420 -7.892) 11.659 18.758 ( -22.641 -9.502 11.557) 27.138 19.013 ( -26.171 -4.787 -10.799) 28.713 20.395 ( -4.345 2.892 1.583) 5.454 20.467 ( -5.039 0.978 -5.156) 7.276 21.022 ( -0.674 4.867 3.201) 5.864 21.122 ( -0.953 2.990 -5.700) 6.507 22.038 ( 6.473 6.874 6.598) 11.519 22.125 ( 5.379 5.729 -0.842) 7.904 22.423 ( 7.411 4.997 11.365) 14.459 22.661 ( 3.290 2.643 -10.348) 11.176 22.896 ( -2.404 1.520 3.330) 4.379 22.928 ( -1.475 1.026 -0.348) 1.831 23.490 ( 11.258 -0.049 1.091) 11.311 23.502 ( 10.982 0.114 -0.072) 10.983 24.459 ( 5.485 -4.116 7.782) 10.372 24.625 ( -2.897 -0.916 -5.717) 6.474 24.954 ( 16.418 -14.011 16.341) 27.072 25.345 ( 12.101 -9.910 -17.468) 23.447 25.701 ( 12.313 -0.694 0.831) 12.360 25.759 ( 11.149 -1.784 -5.392) 12.512 26.537 ( -0.307 -3.696 4.287) 5.669 26.594 ( -1.386 -4.694 -0.634) 4.935 27.923 ( -3.548 -0.473 9.728) 10.366 28.130 ( -7.315 -1.057 -8.901) 11.570 29.537 ( 10.412 1.601 3.484) 11.095 29.627 ( 13.619 1.115 -4.753) 14.468 30.505 ( -5.540 10.913 13.559) 18.266 30.856 ( -7.526 10.119 -18.783) 22.624 32.507 ( -5.771 0.651 12.473) 13.759 32.690 ( -8.030 1.490 -3.608) 8.929 33.325 ( -7.764 5.391 1.943) 9.649 33.455 ( -8.044 4.133 -8.561) 12.453 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 2.664 1.405 7.349) 7.942 2.329 ( 0.534 1.333 0.871) 1.680 2.682 ( 8.167 -0.396 2.516) 8.555 2.711 ( 9.003 0.576 0.394) 9.030 2.935 ( -0.291 1.798 2.327) 2.955 2.965 ( -1.211 2.045 -0.442) 2.417 3.273 ( 5.163 2.472 6.959) 9.011 3.442 ( 2.308 1.706 -7.725) 8.241 3.609 ( 0.195 3.266 2.914) 4.382 3.673 ( 0.676 3.715 -2.511) 4.535 3.752 ( 1.741 2.847 0.741) 3.419 3.836 ( 1.169 0.300 -6.069) 6.188 5.451 ( 15.524 4.103 11.742) 19.892 5.512 ( 14.439 12.336 14.705) 24.019 5.635 ( 12.421 8.166 -4.008) 15.395 5.849 ( 9.422 -5.434 -13.392) 17.252 5.998 ( 7.016 16.533 7.630) 19.514 6.260 ( 3.962 7.252 -10.869) 13.654 6.651 ( -1.999 7.683 2.999) 8.487 6.837 ( -0.958 9.125 -12.916) 15.844 7.606 ( 17.223 -9.895 5.050) 20.495 7.745 ( 20.005 -12.304 -7.083) 24.531 8.150 ( 9.361 -9.773 9.165) 16.344 8.215 ( 13.261 -11.474 5.730) 18.448 8.570 ( 2.523 -7.758 0.026) 8.158 8.698 ( 8.621 -14.608 -7.227) 18.437 9.032 ( 5.797 -8.463 8.362) 13.235 9.127 ( 6.960 -15.828 -0.622) 17.302 9.351 ( 15.654 -3.912 0.948) 16.163 9.493 ( -13.965 -0.141 -12.521) 18.757 10.058 ( 15.033 -1.585 3.568) 15.531 10.233 ( 22.789 8.396 -11.333) 26.801 10.718 ( 4.415 1.354 12.789) 13.597 10.872 ( 11.586 -6.222 5.245) 14.158 10.932 ( 7.391 1.283 7.139) 10.356 11.140 ( 6.008 -9.282 -6.297) 12.724 11.548 ( 4.380 14.880 11.463) 19.287 11.697 ( 9.263 3.838 2.794) 10.409 11.821 ( 14.518 9.988 1.292) 17.669 12.048 ( 19.187 2.689 -10.031) 21.818 12.291 ( 14.957 3.482 11.710) 19.312 12.598 ( 10.439 -4.066 -2.620) 11.505 12.790 ( 4.026 3.882 -7.024) 8.978 12.878 ( -4.525 0.791 -3.666) 5.877 13.074 ( -5.636 1.106 -5.075) 7.665 13.214 ( 1.158 -1.472 -17.288) 17.389 14.120 ( -19.700 10.760 10.367) 24.725 14.246 ( -5.834 2.484 2.268) 6.734 14.275 ( -7.259 13.491 0.387) 15.325 14.360 ( 0.210 -5.998 -4.898) 7.746 15.014 ( 6.774 1.427 9.943) 12.116 15.296 ( 1.976 -9.197 -13.711) 16.628 16.318 ( -7.312 -9.231 12.704) 17.323 16.566 ( -18.226 -9.790 -10.244) 23.086 17.166 ( -15.873 -5.776 9.286) 19.275 17.365 ( -21.216 -5.483 -7.923) 23.302 17.749 ( -11.155 -2.857 4.723) 12.446 17.860 ( -12.257 -1.836 -4.930) 13.338 18.413 ( -12.239 -3.061 7.945) 14.909 18.556 ( -18.956 -1.793 -4.745) 19.623 20.328 ( -2.781 3.120 1.023) 4.303 20.383 ( -3.526 2.395 -3.756) 5.681 21.006 ( -0.766 6.802 1.370) 6.980 21.078 ( -2.909 5.499 -4.995) 7.979 22.164 ( 6.415 2.437 4.555) 8.236 22.235 ( 5.272 3.136 -1.378) 6.287 22.538 ( 3.924 5.089 8.194) 10.413 22.678 ( -1.900 2.932 -4.556) 5.742 22.862 ( -0.661 3.300 3.615) 4.939 22.907 ( -0.399 3.315 -1.043) 3.498 23.712 ( 11.006 -0.377 -0.212) 11.014 23.720 ( 10.929 -0.390 -0.803) 10.965 24.464 ( -2.111 -0.728 4.909) 5.393 24.550 ( -4.657 -0.502 -2.994) 5.559 25.358 ( 21.479 -12.519 10.473) 26.977 25.608 ( 13.436 -7.713 -11.355) 19.208 25.886 ( 6.634 -0.955 0.108) 6.703 25.933 ( 6.540 -1.806 -4.243) 8.002 26.530 ( -0.529 -8.973 3.120) 9.515 26.567 ( -1.508 -9.078 0.039) 9.202 27.869 ( -1.782 0.070 5.796) 6.064 27.998 ( -6.067 -0.421 -5.772) 8.384 29.755 ( 11.849 4.318 6.027) 13.977 29.902 ( 14.528 4.535 -7.311) 16.884 30.376 ( -7.778 8.996 11.678) 16.668 30.679 ( -10.677 9.680 -16.079) 21.592 32.426 ( -2.236 0.135 9.953) 10.202 32.556 ( -5.685 0.508 -1.512) 5.905 33.194 ( -5.331 3.995 2.004) 6.957 33.299 ( -7.677 2.848 -6.811) 10.651 ======================= Grid point 148 (55/60) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 1.324 0.430 5.189) 5.372 2.327 ( -0.521 0.530 2.704) 2.804 2.805 ( 4.475 1.052 2.547) 5.255 2.836 ( 3.145 1.541 0.052) 3.502 2.919 ( -0.543 1.434 1.646) 2.249 2.940 ( -1.599 1.577 -0.401) 2.281 3.376 ( 5.075 1.949 4.455) 7.028 3.452 ( -1.950 1.561 -1.221) 2.780 3.621 ( 1.093 1.070 -0.176) 1.540 3.672 ( -0.443 0.987 -3.080) 3.264 3.773 ( 0.618 3.456 -0.440) 3.539 3.841 ( -0.396 2.121 -5.209) 5.638 5.656 ( 5.214 0.754 5.776) 7.818 5.693 ( 2.708 1.926 4.607) 5.681 5.798 ( 5.398 7.644 11.628) 14.926 6.072 ( 14.256 6.553 -8.577) 17.881 6.142 ( 4.907 12.914 6.723) 15.364 6.383 ( 4.752 14.940 -13.992) 21.013 6.510 ( -6.369 9.883 2.213) 11.964 6.711 ( -10.589 9.287 -13.714) 19.659 7.904 ( 12.725 -8.503 8.057) 17.296 8.013 ( 3.968 -4.410 -0.797) 5.986 8.258 ( 7.362 -16.114 6.819) 18.984 8.394 ( 8.819 -15.160 -2.586) 17.729 8.514 ( -6.825 0.676 -2.663) 7.357 8.668 ( -13.048 -9.658 -9.836) 18.981 9.005 ( 2.289 -20.777 -3.539) 21.200 9.111 ( -9.048 -17.195 -10.573) 22.120 9.538 ( 9.538 -3.209 8.419) 13.121 9.655 ( 10.661 -13.245 -2.918) 17.251 10.413 ( 15.607 -0.619 12.456) 19.978 10.611 ( 8.756 -3.049 -1.562) 9.403 10.810 ( 8.172 7.473 9.372) 14.508 10.944 ( -2.809 3.841 0.139) 4.761 11.143 ( 12.095 -2.069 11.738) 16.981 11.262 ( 2.918 5.104 1.176) 5.995 11.613 ( 3.503 12.525 11.427) 17.312 11.871 ( 8.834 2.679 -5.720) 10.860 12.092 ( 12.080 7.411 6.040) 15.405 12.279 ( 0.247 4.040 0.342) 4.062 12.481 ( -2.369 4.922 5.432) 7.704 12.667 ( -1.050 0.376 -4.624) 4.757 12.810 ( 3.449 1.570 1.911) 4.244 12.896 ( -6.124 0.626 -0.521) 6.178 12.978 ( 8.838 4.380 -12.131) 15.635 13.149 ( -6.329 -0.736 -19.584) 20.594 13.815 ( -6.614 1.083 1.868) 6.957 13.934 ( -13.634 3.859 -6.507) 15.592 14.289 ( 1.798 11.650 0.408) 11.795 14.339 ( -2.786 10.166 -4.448) 11.441 15.301 ( 17.298 -2.493 5.130) 18.214 15.432 ( 6.326 -6.065 -6.686) 11.023 16.176 ( -7.058 -15.075 4.323) 17.198 16.228 ( -14.625 -17.195 -0.914) 22.592 16.894 ( -8.282 -5.129 4.032) 10.543 16.992 ( -13.172 -4.896 -4.055) 14.626 17.613 ( -2.304 -4.116 4.123) 6.265 17.664 ( -6.944 -3.011 -0.355) 7.577 18.269 ( -3.321 -0.451 3.528) 4.866 18.320 ( -5.945 -0.809 -0.895) 6.066 20.289 ( -1.088 3.224 1.023) 3.553 20.335 ( -1.299 2.888 -2.726) 4.179 21.001 ( 0.394 7.295 -0.826) 7.352 21.028 ( -2.009 6.917 -3.134) 7.855 22.272 ( 4.202 1.012 1.934) 4.735 22.305 ( 1.511 1.375 -0.888) 2.227 22.576 ( 0.933 2.845 4.088) 5.067 22.615 ( -3.430 1.953 0.422) 3.970 22.872 ( 1.056 5.777 3.050) 6.618 22.904 ( -0.247 5.660 0.186) 5.669 23.877 ( 5.141 -0.563 -1.389) 5.355 23.886 ( 5.187 -0.666 -2.238) 5.688 24.430 ( -0.643 -0.588 3.750) 3.850 24.464 ( -3.705 -0.592 0.528) 3.789 25.695 ( 12.274 -5.818 4.582) 14.335 25.794 ( 3.945 -3.054 -3.237) 5.948 25.962 ( 1.843 -2.840 -1.379) 3.655 26.001 ( 0.704 -2.269 -4.060) 4.703 26.520 ( -0.333 -13.538 1.899) 13.675 26.539 ( -1.188 -13.565 0.306) 13.620 27.860 ( 0.879 0.140 1.639) 1.865 27.904 ( -3.626 -0.069 -2.295) 4.292 29.979 ( 11.177 8.168 8.149) 16.064 30.137 ( 2.610 15.517 0.276) 15.737 30.246 ( 1.472 -0.751 -0.364) 1.692 30.455 ( -12.431 6.873 -12.942) 19.216 32.420 ( 1.369 -0.419 6.469) 6.626 32.469 ( -3.500 -0.375 2.240) 4.173 33.136 ( -0.502 2.875 -0.813) 3.030 33.177 ( -4.607 2.402 -4.262) 6.719 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 4.411 10.414) 11.309 2.217 ( 0.000 6.533 2.252) 6.910 2.273 ( 0.000 -0.753 5.427) 5.479 2.296 ( 0.000 1.361 -5.091) 5.270 3.016 ( 0.000 5.205 2.966) 5.991 3.095 ( 0.000 -1.542 -3.334) 3.673 3.253 ( 0.000 -0.763 6.011) 6.059 3.358 ( 0.000 0.093 -3.767) 3.768 3.384 ( 0.000 3.224 2.520) 4.092 3.511 ( 0.000 2.510 -7.479) 7.889 3.761 ( 0.000 1.900 -0.130) 1.904 3.798 ( 0.000 1.211 -4.163) 4.336 4.545 ( 0.000 3.918 17.026) 17.471 4.854 ( 0.000 1.543 -12.257) 12.354 5.215 ( 0.000 8.126 16.675) 18.549 5.361 ( 0.000 -4.437 17.348) 17.906 5.545 ( 0.000 9.867 -13.726) 16.905 5.789 ( 0.000 -10.889 -18.947) 21.853 6.113 ( 0.000 -22.550 16.598) 28.000 6.538 ( 0.000 -15.364 -19.700) 24.983 6.631 ( 0.000 13.657 7.958) 15.807 6.883 ( 0.000 10.238 -16.229) 19.188 7.660 ( 0.000 -12.923 10.916) 16.916 7.697 ( 0.000 29.055 35.686) 46.019 7.910 ( 0.000 -12.171 -11.231) 16.561 8.197 ( 0.000 0.338 -7.784) 7.791 8.533 ( 0.000 0.658 10.254) 10.276 8.891 ( 0.000 2.554 -15.096) 15.311 9.077 ( 0.000 1.113 9.500) 9.565 9.154 ( 0.000 -2.299 3.677) 4.337 9.765 ( 0.000 -7.432 1.532) 7.589 10.091 ( 0.000 -26.196 -20.912) 33.519 10.256 ( 0.000 2.154 -1.539) 2.647 10.311 ( 0.000 1.202 -6.114) 6.231 10.629 ( 0.000 1.280 27.903) 27.932 11.161 ( 0.000 2.693 -13.458) 13.725 11.356 ( 0.000 5.244 8.728) 10.182 11.519 ( 0.000 8.324 -6.014) 10.269 11.812 ( 0.000 5.217 0.033) 5.217 11.825 ( 0.000 1.563 6.419) 6.607 11.896 ( 0.000 -2.100 -8.706) 8.956 11.970 ( 0.000 -1.895 -6.404) 6.678 12.677 ( 0.000 -2.654 0.921) 2.809 12.865 ( 0.000 2.711 -13.554) 13.823 12.970 ( 0.000 -2.114 -0.142) 2.118 13.012 ( 0.000 -5.255 -3.334) 6.223 13.408 ( 0.000 0.499 3.866) 3.898 13.551 ( 0.000 -8.587 -8.755) 12.263 14.805 ( 0.000 7.987 5.587) 9.747 14.899 ( 0.000 1.705 -3.083) 3.523 15.538 ( 0.000 -0.484 10.027) 10.038 15.644 ( 0.000 -6.030 0.350) 6.040 17.258 ( 0.000 1.235 31.005) 31.029 17.329 ( 0.000 -0.508 25.530) 25.535 17.698 ( 0.000 6.947 -4.041) 8.037 17.866 ( 0.000 -0.199 -23.569) 23.570 18.045 ( 0.000 3.861 0.962) 3.979 18.216 ( 0.000 1.688 -15.919) 16.008 19.105 ( 0.000 -6.042 0.154) 6.044 19.395 ( 0.000 -10.242 -22.521) 24.740 20.586 ( 0.000 0.076 0.863) 0.866 20.617 ( 0.000 0.048 -2.129) 2.129 20.968 ( 0.000 0.233 5.428) 5.433 21.065 ( 0.000 0.805 -2.574) 2.697 22.126 ( 0.000 6.392 8.046) 10.276 22.214 ( 0.000 4.071 -0.648) 4.122 22.229 ( 0.000 0.274 15.284) 15.286 22.546 ( 0.000 0.089 -13.767) 13.768 22.944 ( 0.000 0.018 0.306) 0.306 22.950 ( 0.000 0.020 -0.292) 0.293 23.234 ( 0.000 0.044 1.344) 1.345 23.265 ( 0.000 0.323 -1.532) 1.565 23.841 ( 0.000 -4.386 37.430) 37.686 24.566 ( 0.000 -2.866 -28.542) 28.685 24.828 ( 0.000 -0.733 16.088) 16.105 25.235 ( 0.000 -1.644 -21.667) 21.729 25.284 ( 0.000 -0.161 1.276) 1.286 25.304 ( 0.000 -0.084 -0.569) 0.575 26.570 ( 0.000 1.227 3.429) 3.642 26.602 ( 0.000 -1.710 0.631) 1.823 27.995 ( 0.000 -0.808 13.307) 13.331 28.274 ( 0.000 -1.535 -11.585) 11.687 29.301 ( 0.000 -0.102 0.056) 0.116 29.302 ( 0.000 -0.246 -0.080) 0.259 30.769 ( 0.000 3.776 12.697) 13.246 31.101 ( 0.000 2.028 -17.717) 17.833 32.694 ( 0.000 0.711 16.351) 16.366 32.917 ( 0.000 0.128 -1.773) 1.777 33.614 ( 0.000 2.073 -3.858) 4.380 33.744 ( 0.000 2.215 -13.021) 13.209 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 2.004 4.499 9.606) 10.795 2.290 ( 2.060 -0.437 4.626) 5.082 2.307 ( 7.984 3.441 1.683) 8.856 2.366 ( 6.018 -0.124 -3.254) 6.842 2.981 ( -2.109 3.238 2.739) 4.737 3.049 ( -3.255 -1.906 -3.314) 5.021 3.242 ( -0.283 1.473 7.579) 7.726 3.396 ( 2.408 0.749 -6.034) 6.540 3.520 ( 10.362 2.178 -0.810) 10.619 3.554 ( 4.431 1.876 -3.727) 6.086 3.763 ( 0.234 2.098 0.196) 2.121 3.800 ( 0.216 1.057 -3.741) 3.894 4.850 ( 25.944 5.271 9.047) 27.978 5.038 ( 16.483 1.982 -8.677) 18.732 5.190 ( 2.990 5.108 16.707) 17.724 5.526 ( 1.654 4.742 -13.522) 14.424 5.658 ( 25.571 -0.227 19.370) 32.081 6.016 ( 16.183 -4.559 -2.204) 16.957 6.239 ( 16.220 -18.134 1.516) 24.377 6.540 ( 1.500 -4.954 -12.265) 13.313 6.704 ( 7.052 2.657 2.465) 7.929 6.951 ( 6.901 8.954 -17.524) 20.854 7.692 ( 3.936 -7.819 13.033) 15.700 7.800 ( 7.868 19.610 24.222) 32.143 7.947 ( 4.502 -12.181 -6.145) 14.367 8.243 ( 4.428 -2.776 -8.280) 9.792 8.604 ( 6.933 4.027 11.120) 13.709 8.924 ( 2.903 0.047 -6.770) 7.367 9.097 ( 1.894 -1.684 9.400) 9.736 9.228 ( 8.783 0.656 -4.274) 9.789 9.857 ( 9.364 -7.144 2.768) 12.099 10.114 ( 2.792 -17.952 -15.049) 23.591 10.350 ( 2.048 3.119 1.301) 3.951 10.407 ( 8.999 -3.756 -5.031) 10.972 10.631 ( 6.993 0.835 12.162) 14.054 10.937 ( -16.298 1.923 -9.790) 19.109 11.380 ( 0.090 3.460 8.970) 9.614 11.540 ( -1.922 2.501 -5.336) 6.198 11.773 ( 3.196 5.811 2.187) 6.984 11.836 ( 6.329 2.804 -3.248) 7.646 11.948 ( 4.852 4.748 10.218) 12.267 12.169 ( 9.239 -4.021 -9.483) 13.837 12.662 ( 1.574 -1.498 -5.821) 6.213 12.749 ( -2.558 -2.336 -9.945) 10.531 13.085 ( 6.241 -0.451 -1.630) 6.466 13.148 ( 5.845 2.809 -7.103) 9.618 13.544 ( 13.688 -5.010 3.177) 14.918 13.645 ( 11.307 -8.218 -5.847) 15.151 14.780 ( -2.702 7.935 5.575) 10.067 14.869 ( -3.166 2.727 -2.627) 4.936 15.437 ( -10.535 -0.406 9.534) 14.215 15.546 ( -9.918 -5.206 0.003) 11.201 16.896 ( -23.827 2.103 30.507) 38.766 17.385 ( -7.471 2.350 13.157) 15.312 17.479 ( -15.781 -1.238 -8.791) 18.106 17.816 ( -5.983 1.393 -10.697) 12.336 18.093 ( 1.475 4.314 -2.066) 5.006 18.194 ( -3.151 0.236 -11.341) 11.773 18.940 ( -15.978 -6.742 6.048) 18.367 19.270 ( -13.047 -7.051 -20.453) 25.264 20.531 ( -4.706 0.748 0.326) 4.776 20.563 ( -4.169 0.210 -2.876) 5.070 21.036 ( 4.936 0.631 2.943) 5.781 21.109 ( 3.441 0.530 -2.819) 4.480 22.124 ( -0.311 5.501 7.142) 9.020 22.163 ( -0.381 1.643 4.602) 4.901 22.350 ( 8.184 2.582 9.549) 12.839 22.601 ( 5.189 0.568 -12.248) 13.314 22.947 ( -0.599 0.340 1.115) 1.310 22.950 ( 0.218 0.108 0.424) 0.489 23.308 ( 7.261 0.037 1.593) 7.434 23.333 ( 6.728 0.258 -0.863) 6.788 24.009 ( 16.722 -4.879 30.145) 34.816 24.601 ( 2.807 -2.058 -22.330) 22.599 24.766 ( -4.147 -1.301 14.362) 15.005 25.123 ( -2.974 -1.990 -17.386) 17.750 25.432 ( 12.699 -0.409 1.795) 12.831 25.503 ( 12.541 -0.482 -6.114) 13.960 26.550 ( -2.054 0.830 3.266) 3.946 26.579 ( -2.309 -1.909 0.738) 3.086 27.968 ( -2.493 -0.660 12.097) 12.369 28.222 ( -5.007 -1.291 -10.411) 11.624 29.371 ( 6.997 -0.048 1.009) 7.070 29.397 ( 9.468 -0.127 -1.408) 9.573 30.744 ( -2.642 3.884 12.708) 13.548 31.076 ( -2.774 2.301 -17.698) 18.061 32.639 ( -5.221 0.690 15.525) 16.394 32.854 ( -6.109 0.275 -2.344) 6.549 33.551 ( -6.143 2.088 -2.424) 6.926 33.679 ( -6.364 2.294 -11.803) 13.604 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.008 3.184 8.923) 9.684 2.327 ( 1.406 -0.818 3.406) 3.774 2.484 ( 9.054 -0.071 1.096) 9.120 2.522 ( 10.625 0.016 -1.664) 10.755 2.964 ( 0.120 1.614 1.121) 1.969 3.000 ( -1.691 -1.323 -1.938) 2.893 3.256 ( 1.854 1.796 8.130) 8.530 3.432 ( 1.640 0.778 -8.215) 8.413 3.631 ( 3.004 1.314 1.172) 3.482 3.696 ( 5.667 1.346 -4.557) 7.396 3.772 ( 0.943 2.103 0.848) 2.455 3.809 ( 1.151 0.766 -2.929) 3.239 5.192 ( 9.688 0.165 5.921) 11.355 5.348 ( 12.445 -5.006 -8.359) 15.806 5.477 ( 22.820 10.197 10.905) 27.270 5.665 ( 14.162 11.619 -6.609) 19.474 6.121 ( 15.258 1.710 18.055) 23.700 6.392 ( 20.402 -0.280 6.366) 21.373 6.523 ( 11.629 13.615 -0.485) 17.912 6.736 ( 15.109 -16.553 -9.459) 24.326 6.936 ( 19.622 -6.596 1.791) 20.779 7.212 ( 23.411 7.791 -22.659) 33.500 7.780 ( 5.276 -10.715 7.031) 13.859 7.903 ( 3.615 -0.992 1.299) 3.968 8.120 ( 10.843 -1.578 8.687) 13.983 8.321 ( 2.141 -11.883 -7.428) 14.176 8.775 ( 10.591 10.428 13.551) 20.113 8.992 ( 3.710 -1.459 0.266) 3.995 9.187 ( 8.086 -3.914 11.324) 14.454 9.484 ( 15.202 3.579 -11.401) 19.336 9.974 ( -3.169 -12.079 6.838) 14.238 10.174 ( 4.199 4.642 -9.580) 11.444 10.321 ( -0.858 1.211 2.753) 3.127 10.549 ( 11.072 -13.914 -13.669) 22.428 10.822 ( 7.438 1.415 7.172) 10.428 10.890 ( 9.878 0.038 -0.342) 9.884 11.445 ( 12.239 4.460 7.657) 15.110 11.578 ( 9.045 -2.896 -1.716) 9.651 11.878 ( 4.745 11.067 1.421) 12.125 11.967 ( 4.373 6.912 -4.613) 9.390 12.069 ( 10.260 0.607 14.502) 17.775 12.322 ( 8.710 -5.047 -5.090) 11.280 12.732 ( 4.782 1.172 -10.529) 11.624 12.815 ( 6.134 -5.036 -14.830) 16.821 13.166 ( 2.278 4.413 -4.772) 6.887 13.190 ( 0.435 1.826 -6.192) 6.470 13.868 ( 18.283 -7.831 4.161) 20.321 13.952 ( 16.878 -7.201 -3.935) 18.767 14.672 ( -11.261 4.956 8.090) 14.725 14.776 ( -6.091 9.054 -1.435) 11.006 15.169 ( -13.805 0.033 7.263) 15.599 15.296 ( -14.321 -3.862 -2.276) 15.006 16.473 ( -18.666 -0.235 25.573) 31.662 16.960 ( -26.942 2.184 -19.075) 33.083 17.311 ( -9.299 -3.722 17.049) 19.774 17.613 ( -14.584 -2.019 -8.599) 17.050 18.013 ( -10.704 3.644 -4.997) 12.362 18.068 ( -10.461 -0.939 -8.626) 13.591 18.591 ( -16.917 -5.239 14.940) 23.170 18.912 ( -22.541 -3.575 -13.176) 26.353 20.445 ( -3.944 1.456 -0.200) 4.208 20.487 ( -3.517 0.705 -4.466) 5.729 21.103 ( 1.762 2.528 0.673) 3.155 21.156 ( 1.067 0.489 -3.728) 3.908 22.132 ( 1.792 2.173 6.538) 7.119 22.202 ( 3.535 1.905 1.091) 4.161 22.514 ( 7.925 2.830 9.614) 12.777 22.708 ( 4.390 1.411 -8.254) 9.455 22.925 ( -1.131 0.979 3.163) 3.499 22.948 ( 0.013 0.689 0.141) 0.703 23.489 ( 10.991 -0.056 1.215) 11.058 23.504 ( 10.498 0.024 -0.205) 10.500 24.373 ( 14.525 -3.023 11.942) 19.046 24.616 ( -1.932 -0.057 -9.107) 9.310 24.769 ( 9.056 -4.354 17.193) 19.914 25.199 ( 11.089 -3.774 -20.447) 23.565 25.690 ( 12.758 -0.293 0.404) 12.768 25.730 ( 10.368 -0.885 -3.807) 11.080 26.496 ( -3.491 -0.419 2.913) 4.566 26.520 ( -3.717 -2.465 0.850) 4.540 27.912 ( -3.023 -0.387 9.107) 9.603 28.105 ( -6.610 -0.866 -8.017) 10.427 29.556 ( 11.802 0.380 3.340) 12.271 29.639 ( 14.995 0.222 -4.252) 15.587 30.665 ( -5.594 4.139 12.531) 14.333 30.988 ( -6.473 3.019 -17.180) 18.605 32.521 ( -6.163 0.533 13.447) 14.802 32.709 ( -8.243 0.428 -2.724) 8.692 33.404 ( -8.403 2.059 -0.091) 8.652 33.522 ( -9.320 1.916 -9.406) 13.379 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.117 1.195 7.130) 7.315 2.336 ( -0.215 -0.356 2.746) 2.778 2.661 ( 9.029 -0.885 3.391) 9.686 2.726 ( 9.461 0.469 -2.506) 9.799 2.962 ( -0.721 0.813 0.826) 1.365 2.983 ( -0.388 -0.029 -0.988) 1.062 3.315 ( 4.172 1.220 6.506) 7.825 3.463 ( 1.408 0.368 -7.266) 7.411 3.656 ( -0.165 1.301 2.264) 2.616 3.719 ( -1.406 0.953 -3.130) 3.561 3.794 ( 1.257 0.929 1.263) 2.009 3.858 ( 2.476 1.089 -4.355) 5.126 5.377 ( 9.368 -1.505 3.689) 10.180 5.508 ( 5.616 -10.159 -7.898) 14.040 5.837 ( 13.800 8.264 11.943) 20.035 5.990 ( 15.800 13.749 -1.546) 21.001 6.332 ( 7.798 11.113 11.948) 18.084 6.567 ( 7.672 18.885 -7.793) 21.823 6.784 ( 8.745 -1.449 8.428) 12.231 6.955 ( 9.055 -7.507 -5.829) 13.127 7.387 ( 19.705 0.383 7.381) 21.046 7.648 ( 15.917 8.934 -14.715) 23.446 7.928 ( 6.339 -10.895 1.052) 12.648 8.017 ( 10.166 -11.510 -7.058) 16.901 8.250 ( 1.996 -13.543 1.322) 13.753 8.362 ( 5.875 -16.714 -8.640) 19.711 8.930 ( -1.706 1.928 4.478) 5.165 8.984 ( -5.054 -2.369 0.013) 5.582 9.362 ( 9.925 2.123 5.571) 11.578 9.549 ( -7.178 2.758 -11.222) 13.604 10.084 ( 21.804 5.282 16.148) 27.642 10.301 ( 13.072 -7.671 3.800) 15.626 10.508 ( 12.665 -4.787 10.395) 17.070 10.870 ( 16.170 -2.957 -7.474) 18.058 10.972 ( 6.319 0.225 3.403) 7.181 10.994 ( 10.942 -0.388 1.953) 11.121 11.783 ( 14.672 5.858 7.991) 17.704 11.849 ( 10.607 7.495 2.302) 13.190 11.993 ( 10.562 6.169 -0.954) 12.269 12.100 ( 13.735 1.857 -8.609) 16.316 12.313 ( 15.158 -0.239 9.938) 18.127 12.499 ( 8.561 -4.918 -3.939) 10.629 12.788 ( -0.288 -1.283 -10.009) 10.095 12.912 ( 3.646 0.072 -15.467) 15.891 13.138 ( -3.422 3.854 -1.193) 5.290 13.217 ( -1.024 1.223 -9.750) 9.879 14.076 ( -8.138 -4.967 2.480) 9.851 14.134 ( -1.745 -5.639 -2.274) 6.326 14.385 ( -3.809 3.770 15.573) 16.469 14.663 ( -5.470 12.882 -8.319) 16.281 15.059 ( 2.591 -0.085 2.127) 3.353 15.130 ( 1.559 -4.242 -3.287) 5.588 16.182 ( -12.598 -3.645 13.581) 18.880 16.436 ( -26.967 -2.982 -11.183) 29.346 17.074 ( -15.111 -2.614 10.907) 18.818 17.276 ( -19.864 -2.613 -7.763) 21.487 17.723 ( -14.866 -0.066 2.877) 15.142 17.835 ( -12.862 -0.653 -6.902) 14.611 18.354 ( -8.430 -1.935 9.675) 12.977 18.504 ( -17.407 -2.121 -3.700) 17.922 20.383 ( -2.433 1.678 -0.456) 2.991 20.425 ( -2.989 1.262 -4.394) 5.462 21.115 ( -0.003 3.319 -0.544) 3.364 21.154 ( -0.988 1.722 -3.796) 4.283 22.194 ( 4.380 0.645 5.228) 6.851 22.274 ( 3.540 0.876 -1.454) 3.926 22.612 ( 1.717 1.788 7.059) 7.482 22.717 ( -3.248 0.850 -2.699) 4.308 22.930 ( 2.026 2.386 4.347) 5.357 22.975 ( 2.440 2.390 -0.412) 3.440 23.707 ( 10.904 -0.133 -0.410) 10.913 23.712 ( 10.510 -0.261 -0.712) 10.537 24.450 ( -1.492 -0.442 4.709) 4.959 24.543 ( -4.864 -0.135 -3.860) 6.211 25.161 ( 25.243 -5.486 13.933) 29.350 25.485 ( 16.498 -3.446 -14.709) 22.370 25.873 ( 5.205 -0.263 -0.721) 5.262 25.899 ( 7.276 -1.209 -2.742) 7.869 26.416 ( -4.706 -2.248 2.537) 5.800 26.437 ( -4.861 -3.602 0.776) 6.100 27.865 ( -1.620 -0.232 5.314) 5.560 27.984 ( -5.642 -0.552 -5.250) 7.727 29.806 ( 13.767 1.050 5.852) 14.996 29.949 ( 16.628 0.780 -7.219) 18.144 30.529 ( -8.482 4.450 11.742) 15.154 30.824 ( -10.639 3.771 -15.362) 19.063 32.430 ( -2.909 0.160 10.412) 10.812 32.563 ( -6.544 0.170 -1.218) 6.659 33.257 ( -6.314 1.719 0.257) 6.549 33.345 ( -8.505 1.294 -6.986) 11.082 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.721 0.376 5.264) 5.327 2.327 ( -0.611 -0.366 3.521) 3.592 2.809 ( 5.843 -0.135 3.163) 6.646 2.853 ( 2.647 0.277 -0.650) 2.740 2.945 ( -0.326 0.788 0.841) 1.198 2.967 ( -1.451 0.686 -0.991) 1.886 3.403 ( 4.592 0.659 3.056) 5.555 3.468 ( -1.527 0.177 -2.504) 2.938 3.649 ( 0.106 1.388 0.016) 1.392 3.683 ( -1.793 0.033 -2.479) 3.059 3.828 ( 2.106 1.504 0.515) 2.638 3.872 ( -0.876 0.764 -3.168) 3.374 5.516 ( 4.232 -3.409 1.155) 5.555 5.578 ( 1.648 -8.465 -3.713) 9.389 6.027 ( 6.372 8.260 8.994) 13.774 6.163 ( 1.632 2.671 -3.056) 4.374 6.468 ( 6.592 15.837 14.419) 22.409 6.667 ( 1.024 3.341 -1.556) 3.825 6.945 ( 8.218 24.659 0.390) 25.995 7.045 ( -0.568 15.531 -5.622) 16.527 7.662 ( 12.206 -6.704 10.677) 17.548 7.855 ( 1.232 -4.657 -1.087) 4.939 7.956 ( 2.734 -12.021 1.374) 12.405 8.137 ( -0.402 -21.198 -7.159) 22.378 8.284 ( 4.515 -7.004 -7.775) 11.396 8.453 ( -3.808 -14.949 -17.124) 23.048 8.772 ( -5.641 -0.470 -6.212) 8.404 8.819 ( -6.880 -5.774 -9.446) 13.035 9.533 ( 5.715 -0.051 2.922) 6.419 9.549 ( 3.540 0.966 1.527) 3.975 10.377 ( 5.986 -2.058 10.121) 11.938 10.459 ( 1.255 -6.878 3.305) 7.733 10.882 ( 16.159 1.345 20.115) 25.837 10.992 ( 0.983 0.305 12.012) 12.056 11.153 ( 21.468 1.220 12.154) 24.700 11.383 ( 11.020 4.214 -8.320) 14.436 11.916 ( 2.653 12.871 2.528) 13.382 11.985 ( 5.696 6.241 0.931) 8.501 12.182 ( 6.791 1.524 6.750) 9.696 12.291 ( 1.018 -2.197 0.433) 2.460 12.575 ( 0.067 2.015 1.105) 2.299 12.631 ( 3.147 -2.948 -5.062) 6.649 12.785 ( 7.379 -0.183 -5.291) 9.081 12.889 ( -4.574 -0.743 -9.655) 10.709 13.065 ( -1.454 1.638 -5.220) 5.661 13.142 ( -4.542 -0.302 -14.165) 14.878 13.832 ( -5.534 1.810 1.596) 6.037 13.938 ( -11.796 -0.668 -6.243) 13.363 14.478 ( 5.406 4.701 2.191) 7.492 14.572 ( -4.467 7.716 -6.176) 10.846 15.241 ( 13.450 -2.814 2.434) 13.955 15.315 ( 11.185 -3.365 -3.752) 12.268 15.944 ( -12.386 -6.240 2.060) 14.021 15.966 ( -18.141 -7.090 -0.977) 19.502 16.830 ( -6.084 -1.323 5.165) 8.089 16.925 ( -13.708 -1.657 -3.481) 14.240 17.557 ( -2.276 -1.310 4.776) 5.450 17.620 ( -8.087 -1.161 -0.809) 8.210 18.249 ( -2.427 -0.855 4.247) 4.966 18.283 ( -5.814 -1.712 1.153) 6.169 20.353 ( -0.648 2.287 -1.134) 2.633 20.379 ( -1.525 0.937 -3.304) 3.758 21.116 ( 0.266 3.293 -1.657) 3.696 21.131 ( -1.112 2.709 -2.954) 4.160 22.282 ( 4.082 0.163 2.402) 4.739 22.320 ( 0.609 0.255 -0.838) 1.067 22.610 ( -0.488 0.693 3.415) 3.518 22.637 ( -3.611 0.407 0.841) 3.730 22.981 ( 2.342 3.493 4.051) 5.839 23.006 ( 0.320 3.151 1.631) 3.563 23.870 ( 5.084 -0.099 -1.731) 5.372 23.874 ( 5.098 -0.432 -2.189) 5.565 24.420 ( -0.580 -0.286 3.440) 3.500 24.453 ( -3.837 -0.311 0.150) 3.853 25.593 ( 17.807 -3.169 7.311) 19.508 25.745 ( 6.469 -1.382 -4.081) 7.773 25.908 ( 0.361 -1.884 -2.267) 2.970 25.966 ( -0.971 -0.918 -5.247) 5.414 26.335 ( -2.630 -4.165 1.955) 5.300 26.347 ( -3.597 -4.956 0.864) 6.184 27.856 ( 0.772 -0.246 1.427) 1.641 27.896 ( -3.396 -0.368 -2.130) 4.025 30.068 ( 13.008 1.541 7.658) 15.173 30.228 ( 6.153 -0.394 -4.048) 7.376 30.376 ( -1.443 6.225 4.285) 7.694 30.587 ( -13.640 4.199 -12.175) 18.759 32.414 ( 1.038 -0.189 6.525) 6.610 32.463 ( -3.914 -0.195 2.262) 4.525 33.181 ( -1.197 1.281 -1.678) 2.427 33.215 ( -4.579 1.056 -4.451) 6.473 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28350 10.0 4362.614 2523.015 1379.713 0.000 0.000 0.000 3/28350 20.0 565.972 553.499 523.438 0.000 0.000 0.000 3/28350 30.0 189.307 188.918 170.428 0.000 0.000 0.000 3/28350 40.0 99.686 97.433 88.005 0.000 0.000 0.000 3/28350 50.0 63.670 61.225 56.217 0.000 0.000 0.000 3/28350 60.0 45.670 43.339 40.477 0.000 0.000 0.000 3/28350 70.0 35.389 33.192 31.465 0.000 0.000 0.000 3/28350 80.0 28.939 26.850 25.777 0.000 0.000 0.000 3/28350 90.0 24.600 22.590 21.927 0.000 0.000 0.000 3/28350 100.0 21.519 19.562 19.174 0.000 0.000 0.000 3/28350 110.0 19.234 17.309 17.118 0.000 0.000 0.000 3/28350 120.0 17.477 15.568 15.525 0.000 0.000 0.000 3/28350 130.0 16.083 14.179 14.251 0.000 0.000 0.000 3/28350 140.0 14.947 13.043 13.207 0.000 0.000 0.000 3/28350 150.0 14.000 12.093 12.330 0.000 0.000 0.000 3/28350 160.0 13.196 11.284 11.580 0.000 0.000 0.000 3/28350 170.0 12.500 10.584 10.929 0.000 0.000 0.000 3/28350 180.0 11.890 9.972 10.357 0.000 0.000 0.000 3/28350 190.0 11.349 9.430 9.848 0.000 0.000 0.000 3/28350 200.0 10.864 8.947 9.392 0.000 0.000 0.000 3/28350 210.0 10.426 8.512 8.980 0.000 0.000 0.000 3/28350 220.0 10.026 8.120 8.604 0.000 0.000 0.000 3/28350 230.0 9.660 7.762 8.261 0.000 0.000 0.000 3/28350 240.0 9.323 7.436 7.946 0.000 0.000 0.000 3/28350 250.0 9.011 7.136 7.656 0.000 0.000 0.000 3/28350 260.0 8.721 6.860 7.386 0.000 0.000 0.000 3/28350 270.0 8.450 6.605 7.136 0.000 0.000 0.000 3/28350 280.0 8.197 6.369 6.903 0.000 0.000 0.000 3/28350 290.0 7.959 6.149 6.685 0.000 0.000 0.000 3/28350 300.0 7.736 5.944 6.481 0.000 0.000 0.000 3/28350 310.0 7.525 5.752 6.290 0.000 0.000 0.000 3/28350 320.0 7.326 5.572 6.110 0.000 0.000 0.000 3/28350 330.0 7.137 5.404 5.940 0.000 0.000 0.000 3/28350 340.0 6.958 5.245 5.779 0.000 0.000 0.000 3/28350 350.0 6.788 5.096 5.628 0.000 0.000 0.000 3/28350 360.0 6.626 4.955 5.484 0.000 0.000 0.000 3/28350 370.0 6.472 4.822 5.347 0.000 0.000 0.000 3/28350 380.0 6.325 4.696 5.217 0.000 0.000 0.000 3/28350 390.0 6.184 4.576 5.094 0.000 0.000 0.000 3/28350 400.0 6.050 4.462 4.976 0.000 0.000 0.000 3/28350 410.0 5.921 4.354 4.864 0.000 0.000 0.000 3/28350 420.0 5.798 4.251 4.757 0.000 0.000 0.000 3/28350 430.0 5.679 4.153 4.654 0.000 0.000 0.000 3/28350 440.0 5.566 4.059 4.556 0.000 0.000 0.000 3/28350 450.0 5.456 3.970 4.462 0.000 0.000 0.000 3/28350 460.0 5.351 3.884 4.371 0.000 0.000 0.000 3/28350 470.0 5.250 3.802 4.285 0.000 0.000 0.000 3/28350 480.0 5.153 3.724 4.201 0.000 0.000 0.000 3/28350 490.0 5.059 3.649 4.121 0.000 0.000 0.000 3/28350 500.0 4.968 3.576 4.044 0.000 0.000 0.000 3/28350 510.0 4.881 3.507 3.970 0.000 0.000 0.000 3/28350 520.0 4.796 3.440 3.898 0.000 0.000 0.000 3/28350 530.0 4.715 3.376 3.829 0.000 0.000 0.000 3/28350 540.0 4.636 3.314 3.763 0.000 0.000 0.000 3/28350 550.0 4.559 3.254 3.698 0.000 0.000 0.000 3/28350 560.0 4.485 3.197 3.636 0.000 0.000 0.000 3/28350 570.0 4.413 3.141 3.576 0.000 0.000 0.000 3/28350 580.0 4.344 3.087 3.518 0.000 0.000 0.000 3/28350 590.0 4.277 3.036 3.461 0.000 0.000 0.000 3/28350 600.0 4.211 2.986 3.407 0.000 0.000 0.000 3/28350 610.0 4.148 2.937 3.354 0.000 0.000 0.000 3/28350 620.0 4.086 2.890 3.303 0.000 0.000 0.000 3/28350 630.0 4.027 2.845 3.253 0.000 0.000 0.000 3/28350 640.0 3.968 2.801 3.205 0.000 0.000 0.000 3/28350 650.0 3.912 2.758 3.158 0.000 0.000 0.000 3/28350 660.0 3.857 2.717 3.112 0.000 0.000 0.000 3/28350 670.0 3.804 2.676 3.068 0.000 0.000 0.000 3/28350 680.0 3.752 2.638 3.025 0.000 0.000 0.000 3/28350 690.0 3.701 2.600 2.983 0.000 0.000 0.000 3/28350 700.0 3.652 2.563 2.942 0.000 0.000 0.000 3/28350 710.0 3.604 2.527 2.903 0.000 0.000 0.000 3/28350 720.0 3.557 2.492 2.864 0.000 0.000 0.000 3/28350 730.0 3.511 2.458 2.827 0.000 0.000 0.000 3/28350 740.0 3.467 2.426 2.790 0.000 0.000 0.000 3/28350 750.0 3.423 2.394 2.754 0.000 0.000 0.000 3/28350 760.0 3.381 2.362 2.720 0.000 0.000 0.000 3/28350 770.0 3.340 2.332 2.686 0.000 0.000 0.000 3/28350 780.0 3.299 2.302 2.653 0.000 0.000 0.000 3/28350 790.0 3.260 2.273 2.620 0.000 0.000 0.000 3/28350 800.0 3.221 2.245 2.589 0.000 0.000 0.000 3/28350 810.0 3.184 2.218 2.558 0.000 0.000 0.000 3/28350 820.0 3.147 2.191 2.528 0.000 0.000 0.000 3/28350 830.0 3.111 2.165 2.499 0.000 0.000 0.000 3/28350 840.0 3.076 2.139 2.470 0.000 0.000 0.000 3/28350 850.0 3.042 2.114 2.442 0.000 0.000 0.000 3/28350 860.0 3.008 2.090 2.415 0.000 0.000 0.000 3/28350 870.0 2.975 2.066 2.388 0.000 0.000 0.000 3/28350 880.0 2.943 2.043 2.362 0.000 0.000 0.000 3/28350 890.0 2.911 2.020 2.336 0.000 0.000 0.000 3/28350 900.0 2.881 1.998 2.311 0.000 0.000 0.000 3/28350 910.0 2.850 1.976 2.286 0.000 0.000 0.000 3/28350 920.0 2.821 1.955 2.262 0.000 0.000 0.000 3/28350 930.0 2.792 1.934 2.239 0.000 0.000 0.000 3/28350 940.0 2.763 1.913 2.215 0.000 0.000 0.000 3/28350 950.0 2.736 1.893 2.193 0.000 0.000 0.000 3/28350 960.0 2.708 1.874 2.171 0.000 0.000 0.000 3/28350 970.0 2.681 1.855 2.149 0.000 0.000 0.000 3/28350 980.0 2.655 1.836 2.128 0.000 0.000 0.000 3/28350 990.0 2.629 1.817 2.107 0.000 0.000 0.000 3/28350 1000.0 2.604 1.799 2.086 0.000 0.000 0.000 3/28350 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|