----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:36:03]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.276867530112780 0.000000000000000 0.000000000000000 b 0.000000000000000 5.520198109999999 0.000000000000000 c -5.255289217086474 0.000000000000000 6.992533811227804 Atomic positions (fractional): *1 O 0.69589090671308 0.20982737357579 0.55881965409766 15.999 2 O 0.69589090671308 0.79017262642421 0.05881965409766 15.999 *3 O 0.01987102273467 0.15595373887555 0.94406345986669 15.999 4 O 0.01987102273467 0.84404626112445 0.44406345986668 15.999 *5 O 0.40996475649511 0.71216921378141 0.22345371727417 15.999 *6 O 0.85193318069899 0.39858003110704 0.28217106169484 15.999 7 O 0.85193318069899 0.60141996889296 0.78217106169484 15.999 8 O 0.40996475649511 0.28783078621859 0.72345371727417 15.999 *9 Na 0.26241617984771 0.66839607315901 0.75027739423589 22.990 *10 Na 0.51444894194169 0.81675512001345 0.50570582715139 22.990 11 Na 0.26241617984771 0.33160392684098 0.25027739423589 22.990 12 Na 0.51444894194169 0.18324487998655 0.00570582715139 22.990 *13 Mg 0.99872159796431 0.81466270620168 0.99958485360675 24.305 14 Mg 0.99872159796431 0.18533729379832 0.49958485360675 24.305 *15 Si 0.74727343360443 0.68675700134384 0.25237400207261 28.085 16 Si 0.74727343360443 0.31324299865616 0.75237400207261 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.276867530112780 0.000000000000000 0.000000000000000 b 0.000000000000000 5.520198109999999 0.000000000000000 c -5.255289217086474 0.000000000000000 6.992533811227804 Atomic positions (fractional): *1 O 0.69589090671308 0.20982737357579 0.55881965409766 15.999 > 1 2 O 0.69589090671308 0.79017262642421 0.05881965409766 15.999 > 2 *3 O 0.01987102273467 0.15595373887555 0.94406345986669 15.999 > 3 4 O 0.01987102273467 0.84404626112445 0.44406345986668 15.999 > 4 *5 O 0.40996475649511 0.71216921378141 0.22345371727417 15.999 > 5 *6 O 0.85193318069899 0.39858003110704 0.28217106169484 15.999 > 6 7 O 0.85193318069899 0.60141996889296 0.78217106169484 15.999 > 7 8 O 0.40996475649511 0.28783078621859 0.72345371727417 15.999 > 8 *9 Na 0.26241617984771 0.66839607315901 0.75027739423589 22.990 > 9 *10 Na 0.51444894194169 0.81675512001345 0.50570582715139 22.990 > 10 11 Na 0.26241617984771 0.33160392684098 0.25027739423589 22.990 > 11 12 Na 0.51444894194169 0.18324487998655 0.00570582715139 22.990 > 12 *13 Mg 0.99872159796431 0.81466270620168 0.99958485360675 24.305 > 13 14 Mg 0.99872159796431 0.18533729379832 0.49958485360675 24.305 > 14 *15 Si 0.74727343360443 0.68675700134384 0.25237400207261 28.085 > 15 16 Si 0.74727343360443 0.31324299865616 0.75237400207261 28.085 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.553735060225559 0.000000000000000 0.000000000000000 b 0.000000000000000 11.040396219999998 0.000000000000000 c -10.510578434172947 0.000000000000000 13.985067622455608 Atomic positions (fractional): *1 O 0.34794545335654 0.10491368678789 0.27940982704883 15.999 > 1 2 O 0.84794545335654 0.10491368678789 0.27940982704883 15.999 > 1 3 O 0.34794545335654 0.60491368678789 0.27940982704883 15.999 > 1 4 O 0.84794545335654 0.60491368678789 0.27940982704883 15.999 > 1 5 O 0.34794545335654 0.10491368678789 0.77940982704883 15.999 > 1 6 O 0.84794545335654 0.10491368678789 0.77940982704883 15.999 > 1 7 O 0.34794545335654 0.60491368678789 0.77940982704883 15.999 > 1 8 O 0.84794545335654 0.60491368678789 0.77940982704883 15.999 > 1 9 O 0.34794545335654 0.39508631321211 0.02940982704883 15.999 > 2 10 O 0.84794545335654 0.39508631321211 0.02940982704883 15.999 > 2 11 O 0.34794545335654 0.89508631321211 0.02940982704883 15.999 > 2 12 O 0.84794545335654 0.89508631321211 0.02940982704883 15.999 > 2 13 O 0.34794545335654 0.39508631321211 0.52940982704883 15.999 > 2 14 O 0.84794545335654 0.39508631321211 0.52940982704883 15.999 > 2 15 O 0.34794545335654 0.89508631321211 0.52940982704883 15.999 > 2 16 O 0.84794545335654 0.89508631321211 0.52940982704883 15.999 > 2 *17 O 0.00993551136733 0.07797686943778 0.47203172993334 15.999 > 3 18 O 0.50993551136733 0.07797686943778 0.47203172993334 15.999 > 3 19 O 0.00993551136733 0.57797686943778 0.47203172993334 15.999 > 3 20 O 0.50993551136733 0.57797686943778 0.47203172993334 15.999 > 3 21 O 0.00993551136733 0.07797686943778 0.97203172993334 15.999 > 3 22 O 0.50993551136733 0.07797686943778 0.97203172993334 15.999 > 3 23 O 0.00993551136733 0.57797686943778 0.97203172993334 15.999 > 3 24 O 0.50993551136733 0.57797686943778 0.97203172993334 15.999 > 3 25 O 0.00993551136733 0.42202313056222 0.22203172993334 15.999 > 4 26 O 0.50993551136733 0.42202313056222 0.22203172993334 15.999 > 4 27 O 0.00993551136733 0.92202313056222 0.22203172993334 15.999 > 4 28 O 0.50993551136733 0.92202313056222 0.22203172993334 15.999 > 4 29 O 0.00993551136733 0.42202313056222 0.72203172993334 15.999 > 4 30 O 0.50993551136733 0.42202313056222 0.72203172993334 15.999 > 4 31 O 0.00993551136733 0.92202313056222 0.72203172993334 15.999 > 4 32 O 0.50993551136733 0.92202313056222 0.72203172993334 15.999 > 4 *33 O 0.20498237824756 0.35608460689070 0.11172685863709 15.999 > 5 34 O 0.70498237824756 0.35608460689070 0.11172685863709 15.999 > 5 35 O 0.20498237824756 0.85608460689070 0.11172685863709 15.999 > 5 36 O 0.70498237824756 0.85608460689070 0.11172685863709 15.999 > 5 37 O 0.20498237824756 0.35608460689070 0.61172685863709 15.999 > 5 38 O 0.70498237824756 0.35608460689070 0.61172685863709 15.999 > 5 39 O 0.20498237824756 0.85608460689070 0.61172685863709 15.999 > 5 40 O 0.70498237824756 0.85608460689070 0.61172685863709 15.999 > 5 *41 O 0.42596659034949 0.19929001555352 0.14108553084742 15.999 > 6 42 O 0.92596659034949 0.19929001555352 0.14108553084742 15.999 > 6 43 O 0.42596659034949 0.69929001555352 0.14108553084742 15.999 > 6 44 O 0.92596659034949 0.69929001555352 0.14108553084742 15.999 > 6 45 O 0.42596659034949 0.19929001555352 0.64108553084742 15.999 > 6 46 O 0.92596659034949 0.19929001555352 0.64108553084742 15.999 > 6 47 O 0.42596659034949 0.69929001555352 0.64108553084742 15.999 > 6 48 O 0.92596659034949 0.69929001555352 0.64108553084742 15.999 > 6 49 O 0.42596659034949 0.30070998444648 0.39108553084742 15.999 > 7 50 O 0.92596659034949 0.30070998444648 0.39108553084742 15.999 > 7 51 O 0.42596659034949 0.80070998444648 0.39108553084742 15.999 > 7 52 O 0.92596659034949 0.80070998444648 0.39108553084742 15.999 > 7 53 O 0.42596659034949 0.30070998444648 0.89108553084742 15.999 > 7 54 O 0.92596659034949 0.30070998444648 0.89108553084742 15.999 > 7 55 O 0.42596659034949 0.80070998444648 0.89108553084742 15.999 > 7 56 O 0.92596659034949 0.80070998444648 0.89108553084742 15.999 > 7 57 O 0.20498237824756 0.14391539310929 0.36172685863709 15.999 > 8 58 O 0.70498237824756 0.14391539310929 0.36172685863709 15.999 > 8 59 O 0.20498237824756 0.64391539310930 0.36172685863709 15.999 > 8 60 O 0.70498237824756 0.64391539310930 0.36172685863709 15.999 > 8 61 O 0.20498237824756 0.14391539310929 0.86172685863709 15.999 > 8 62 O 0.70498237824756 0.14391539310929 0.86172685863709 15.999 > 8 63 O 0.20498237824756 0.64391539310930 0.86172685863709 15.999 > 8 64 O 0.70498237824756 0.64391539310930 0.86172685863709 15.999 > 8 *65 Na 0.13120808992386 0.33419803657951 0.37513869711794 22.990 > 9 66 Na 0.63120808992386 0.33419803657951 0.37513869711794 22.990 > 9 67 Na 0.13120808992386 0.83419803657951 0.37513869711794 22.990 > 9 68 Na 0.63120808992386 0.83419803657951 0.37513869711794 22.990 > 9 69 Na 0.13120808992386 0.33419803657951 0.87513869711794 22.990 > 9 70 Na 0.63120808992386 0.33419803657951 0.87513869711794 22.990 > 9 71 Na 0.13120808992386 0.83419803657951 0.87513869711794 22.990 > 9 72 Na 0.63120808992386 0.83419803657951 0.87513869711794 22.990 > 9 *73 Na 0.25722447097085 0.40837756000672 0.25285291357569 22.990 > 10 74 Na 0.75722447097085 0.40837756000672 0.25285291357569 22.990 > 10 75 Na 0.25722447097085 0.90837756000672 0.25285291357569 22.990 > 10 76 Na 0.75722447097085 0.90837756000672 0.25285291357569 22.990 > 10 77 Na 0.25722447097085 0.40837756000672 0.75285291357569 22.990 > 10 78 Na 0.75722447097085 0.40837756000672 0.75285291357569 22.990 > 10 79 Na 0.25722447097085 0.90837756000672 0.75285291357569 22.990 > 10 80 Na 0.75722447097085 0.90837756000672 0.75285291357569 22.990 > 10 81 Na 0.13120808992386 0.16580196342049 0.12513869711794 22.990 > 11 82 Na 0.63120808992386 0.16580196342049 0.12513869711794 22.990 > 11 83 Na 0.13120808992386 0.66580196342049 0.12513869711794 22.990 > 11 84 Na 0.63120808992386 0.66580196342049 0.12513869711794 22.990 > 11 85 Na 0.13120808992386 0.16580196342049 0.62513869711794 22.990 > 11 86 Na 0.63120808992386 0.16580196342049 0.62513869711794 22.990 > 11 87 Na 0.13120808992386 0.66580196342049 0.62513869711794 22.990 > 11 88 Na 0.63120808992386 0.66580196342049 0.62513869711794 22.990 > 11 89 Na 0.25722447097085 0.09162243999328 0.00285291357569 22.990 > 12 90 Na 0.75722447097085 0.09162243999328 0.00285291357569 22.990 > 12 91 Na 0.25722447097085 0.59162243999328 0.00285291357569 22.990 > 12 92 Na 0.75722447097085 0.59162243999328 0.00285291357569 22.990 > 12 93 Na 0.25722447097085 0.09162243999328 0.50285291357569 22.990 > 12 94 Na 0.75722447097085 0.09162243999328 0.50285291357569 22.990 > 12 95 Na 0.25722447097085 0.59162243999328 0.50285291357569 22.990 > 12 96 Na 0.75722447097085 0.59162243999328 0.50285291357569 22.990 > 12 *97 Mg 0.49936079898216 0.40733135310084 0.49979242680338 24.305 > 13 98 Mg 0.99936079898216 0.40733135310084 0.49979242680338 24.305 > 13 99 Mg 0.49936079898216 0.90733135310084 0.49979242680338 24.305 > 13 100 Mg 0.99936079898216 0.90733135310084 0.49979242680338 24.305 > 13 101 Mg 0.49936079898216 0.40733135310084 0.99979242680338 24.305 > 13 102 Mg 0.99936079898216 0.40733135310084 0.99979242680338 24.305 > 13 103 Mg 0.49936079898216 0.90733135310084 0.99979242680338 24.305 > 13 104 Mg 0.99936079898216 0.90733135310084 0.99979242680338 24.305 > 13 105 Mg 0.49936079898216 0.09266864689916 0.24979242680338 24.305 > 14 106 Mg 0.99936079898216 0.09266864689916 0.24979242680338 24.305 > 14 107 Mg 0.49936079898216 0.59266864689916 0.24979242680338 24.305 > 14 108 Mg 0.99936079898216 0.59266864689916 0.24979242680338 24.305 > 14 109 Mg 0.49936079898216 0.09266864689916 0.74979242680338 24.305 > 14 110 Mg 0.99936079898216 0.09266864689916 0.74979242680338 24.305 > 14 111 Mg 0.49936079898216 0.59266864689916 0.74979242680338 24.305 > 14 112 Mg 0.99936079898216 0.59266864689916 0.74979242680338 24.305 > 14 *113 Si 0.37363671680221 0.34337850067192 0.12618700103631 28.085 > 15 114 Si 0.87363671680221 0.34337850067192 0.12618700103631 28.085 > 15 115 Si 0.37363671680221 0.84337850067192 0.12618700103631 28.085 > 15 116 Si 0.87363671680221 0.84337850067192 0.12618700103631 28.085 > 15 117 Si 0.37363671680221 0.34337850067192 0.62618700103631 28.085 > 15 118 Si 0.87363671680221 0.34337850067192 0.62618700103631 28.085 > 15 119 Si 0.37363671680221 0.84337850067192 0.62618700103631 28.085 > 15 120 Si 0.87363671680221 0.84337850067192 0.62618700103631 28.085 > 15 121 Si 0.37363671680221 0.15662149932808 0.37618700103631 28.085 > 16 122 Si 0.87363671680221 0.15662149932808 0.37618700103631 28.085 > 16 123 Si 0.37363671680221 0.65662149932808 0.37618700103631 28.085 > 16 124 Si 0.87363671680221 0.65662149932808 0.37618700103631 28.085 > 16 125 Si 0.37363671680221 0.15662149932808 0.87618700103631 28.085 > 16 126 Si 0.87363671680221 0.15662149932808 0.87618700103631 28.085 > 16 127 Si 0.37363671680221 0.65662149932808 0.87618700103631 28.085 > 16 128 Si 0.87363671680221 0.65662149932808 0.87618700103631 28.085 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5645448 0.0000000 0.0016970 0.0000000 2.5696765 0.0000000 0.0016962 0.0000000 2.5329094 -------------------------- Born effective charges -------------------------- 1 O -1.7560363 0.1470264 0.4213029 0.1343331 -1.3788496 -0.1951454 0.4123802 -0.2602561 -1.8589493 2 O -1.7560363 -0.1470264 0.4213029 -0.1343331 -1.3788496 0.1951454 0.4123802 0.2602561 -1.8589493 3 O -1.3603693 0.0863671 -0.1732393 0.0677845 -1.8042911 0.4465504 -0.1656224 0.4493694 -1.8444509 4 O -1.3603693 -0.0863671 -0.1732393 -0.0677845 -1.8042911 -0.4465504 -0.1656224 -0.4493694 -1.8444509 5 O -2.2318814 0.0974602 -0.2488697 0.0986692 -1.2815238 0.0255195 -0.2596113 0.0813680 -1.4385440 6 O -1.3555039 0.1483349 0.0013567 0.1565143 -2.1949844 0.2585853 0.0077383 0.2685311 -1.4412786 7 O -1.3555039 -0.1483349 0.0013567 -0.1565143 -2.1949844 -0.2585853 0.0077383 -0.2685311 -1.4412786 8 O -2.2318814 -0.0974602 -0.2488697 -0.0986692 -1.2815238 -0.0255195 -0.2596113 -0.0813680 -1.4385440 9 Na 1.0875131 -0.0193806 0.0024821 -0.0099278 1.0180235 0.0031131 0.0098859 0.0034024 1.0965823 10 Na 1.0433682 -0.0029969 -0.0201155 0.0070477 1.0404236 0.0059042 -0.0006551 0.0279472 0.9955559 11 Na 1.0875131 0.0193806 0.0024821 0.0099278 1.0180235 -0.0031131 0.0098859 -0.0034024 1.0965823 12 Na 1.0433682 0.0029969 -0.0201155 -0.0070477 1.0404236 -0.0059042 -0.0006551 -0.0279472 0.9955559 13 Mg 1.8753377 -0.0419249 0.1000406 0.0149853 1.9220436 0.0377441 -0.0768994 -0.1188994 1.7779198 14 Mg 1.8753377 0.0419249 0.1000406 -0.0149853 1.9220436 -0.0377441 -0.0768994 0.1188994 1.7779198 15 Si 2.6975718 0.0184997 -0.0829579 -0.0475633 2.6791583 0.0679708 0.0727838 -0.0946078 2.7131647 16 Si 2.6975718 -0.0184997 -0.0829579 0.0475633 2.6791583 -0.0679708 0.0727838 0.0946078 2.7131647 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 287 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 287 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 287 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 7), data: (544, 15) @ (15, 7) |-- (294, 287), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 7), data: (544, 15) @ (15, 7) |-- (294, 287), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 7), data: (544, 15) @ (15, 7) |-- (294, 287), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 12), data: (1024, 28) @ (28, 12) |-- (524, 512), data: False |-- (524, 10), data: (524, 22) @ (22, 10) |-- (274, 264), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 12), data: (1024, 28) @ (28, 12) |-- (524, 512), data: False |-- (524, 10), data: (524, 22) @ (22, 10) |-- (274, 264), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.422 Solver_block: 200 / 960 - Time: 1.276 Solver_block: 300 / 960 - Time: 1.273 Solver_block: 400 / 960 - Time: 1.272 Solver_block: 500 / 960 - Time: 1.274 Solver_block: 600 / 960 - Time: 1.274 Solver_block: 700 / 960 - Time: 1.278 Solver_block: 800 / 960 - Time: 1.272 Solver_block: 900 / 960 - Time: 1.268 Solver_block: 960 / 960 - Time: 0.805 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.732 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 287 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 287 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 287 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 7), data: (544, 15) @ (15, 7) |-- (294, 287), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 7), data: (544, 15) @ (15, 7) |-- (294, 287), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 7), data: (544, 15) @ (15, 7) |-- (294, 287), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 12), data: (1024, 28) @ (28, 12) |-- (524, 512), data: False |-- (524, 10), data: (524, 22) @ (22, 10) |-- (274, 264), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 12), data: (1024, 28) @ (28, 12) |-- (524, 512), data: False |-- (524, 10), data: (524, 22) @ (22, 10) |-- (274, 264), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 21:36:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:36:55]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.276867530112780 0.000000000000000 0.000000000000000 b 0.000000000000000 5.520198109999999 0.000000000000000 c -5.255289217086474 0.000000000000000 6.992533811227804 Atomic positions (fractional): 1 O 0.69589090671308 0.20982737357579 0.55881965409766 15.999 2 O 0.69589090671308 0.79017262642421 0.05881965409766 15.999 3 O 0.01987102273467 0.15595373887555 0.94406345986669 15.999 4 O 0.01987102273467 0.84404626112445 0.44406345986668 15.999 5 O 0.40996475649511 0.71216921378141 0.22345371727417 15.999 6 O 0.85193318069899 0.39858003110704 0.28217106169484 15.999 7 O 0.85193318069899 0.60141996889296 0.78217106169484 15.999 8 O 0.40996475649511 0.28783078621859 0.72345371727417 15.999 9 Na 0.26241617984771 0.66839607315901 0.75027739423589 22.990 10 Na 0.51444894194169 0.81675512001345 0.50570582715139 22.990 11 Na 0.26241617984771 0.33160392684098 0.25027739423589 22.990 12 Na 0.51444894194169 0.18324487998655 0.00570582715139 22.990 13 Mg 0.99872159796431 0.81466270620168 0.99958485360675 24.305 14 Mg 0.99872159796431 0.18533729379832 0.49958485360675 24.305 15 Si 0.74727343360443 0.68675700134384 0.25237400207261 28.085 16 Si 0.74727343360443 0.31324299865616 0.75237400207261 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.553735060225559 0.000000000000000 0.000000000000000 b 0.000000000000000 11.040396219999998 0.000000000000000 c -10.510578434172947 0.000000000000000 13.985067622455608 Atomic positions (fractional): 1 O 0.34794545335654 0.10491368678789 0.27940982704883 15.999 > 1 2 O 0.84794545335654 0.10491368678789 0.27940982704883 15.999 > 1 3 O 0.34794545335654 0.60491368678789 0.27940982704883 15.999 > 1 4 O 0.84794545335654 0.60491368678789 0.27940982704883 15.999 > 1 5 O 0.34794545335654 0.10491368678789 0.77940982704883 15.999 > 1 6 O 0.84794545335654 0.10491368678789 0.77940982704883 15.999 > 1 7 O 0.34794545335654 0.60491368678789 0.77940982704883 15.999 > 1 8 O 0.84794545335654 0.60491368678789 0.77940982704883 15.999 > 1 9 O 0.34794545335654 0.39508631321211 0.02940982704883 15.999 > 9 10 O 0.84794545335654 0.39508631321211 0.02940982704883 15.999 > 9 11 O 0.34794545335654 0.89508631321211 0.02940982704883 15.999 > 9 12 O 0.84794545335654 0.89508631321211 0.02940982704883 15.999 > 9 13 O 0.34794545335654 0.39508631321211 0.52940982704883 15.999 > 9 14 O 0.84794545335654 0.39508631321211 0.52940982704883 15.999 > 9 15 O 0.34794545335654 0.89508631321211 0.52940982704883 15.999 > 9 16 O 0.84794545335654 0.89508631321211 0.52940982704883 15.999 > 9 17 O 0.00993551136733 0.07797686943778 0.47203172993334 15.999 > 17 18 O 0.50993551136733 0.07797686943778 0.47203172993334 15.999 > 17 19 O 0.00993551136733 0.57797686943778 0.47203172993334 15.999 > 17 20 O 0.50993551136733 0.57797686943778 0.47203172993334 15.999 > 17 21 O 0.00993551136733 0.07797686943778 0.97203172993334 15.999 > 17 22 O 0.50993551136733 0.07797686943778 0.97203172993334 15.999 > 17 23 O 0.00993551136733 0.57797686943778 0.97203172993334 15.999 > 17 24 O 0.50993551136733 0.57797686943778 0.97203172993334 15.999 > 17 25 O 0.00993551136733 0.42202313056222 0.22203172993334 15.999 > 25 26 O 0.50993551136733 0.42202313056222 0.22203172993334 15.999 > 25 27 O 0.00993551136733 0.92202313056222 0.22203172993334 15.999 > 25 28 O 0.50993551136733 0.92202313056222 0.22203172993334 15.999 > 25 29 O 0.00993551136733 0.42202313056222 0.72203172993334 15.999 > 25 30 O 0.50993551136733 0.42202313056222 0.72203172993334 15.999 > 25 31 O 0.00993551136733 0.92202313056222 0.72203172993334 15.999 > 25 32 O 0.50993551136733 0.92202313056222 0.72203172993334 15.999 > 25 33 O 0.20498237824756 0.35608460689070 0.11172685863709 15.999 > 33 34 O 0.70498237824756 0.35608460689070 0.11172685863709 15.999 > 33 35 O 0.20498237824756 0.85608460689070 0.11172685863709 15.999 > 33 36 O 0.70498237824756 0.85608460689070 0.11172685863709 15.999 > 33 37 O 0.20498237824756 0.35608460689070 0.61172685863709 15.999 > 33 38 O 0.70498237824756 0.35608460689070 0.61172685863709 15.999 > 33 39 O 0.20498237824756 0.85608460689070 0.61172685863709 15.999 > 33 40 O 0.70498237824756 0.85608460689070 0.61172685863709 15.999 > 33 41 O 0.42596659034949 0.19929001555352 0.14108553084742 15.999 > 41 42 O 0.92596659034949 0.19929001555352 0.14108553084742 15.999 > 41 43 O 0.42596659034949 0.69929001555352 0.14108553084742 15.999 > 41 44 O 0.92596659034949 0.69929001555352 0.14108553084742 15.999 > 41 45 O 0.42596659034949 0.19929001555352 0.64108553084742 15.999 > 41 46 O 0.92596659034949 0.19929001555352 0.64108553084742 15.999 > 41 47 O 0.42596659034949 0.69929001555352 0.64108553084742 15.999 > 41 48 O 0.92596659034949 0.69929001555352 0.64108553084742 15.999 > 41 49 O 0.42596659034949 0.30070998444648 0.39108553084742 15.999 > 49 50 O 0.92596659034949 0.30070998444648 0.39108553084742 15.999 > 49 51 O 0.42596659034949 0.80070998444648 0.39108553084742 15.999 > 49 52 O 0.92596659034949 0.80070998444648 0.39108553084742 15.999 > 49 53 O 0.42596659034949 0.30070998444648 0.89108553084742 15.999 > 49 54 O 0.92596659034949 0.30070998444648 0.89108553084742 15.999 > 49 55 O 0.42596659034949 0.80070998444648 0.89108553084742 15.999 > 49 56 O 0.92596659034949 0.80070998444648 0.89108553084742 15.999 > 49 57 O 0.20498237824756 0.14391539310929 0.36172685863709 15.999 > 57 58 O 0.70498237824756 0.14391539310929 0.36172685863709 15.999 > 57 59 O 0.20498237824756 0.64391539310930 0.36172685863709 15.999 > 57 60 O 0.70498237824756 0.64391539310930 0.36172685863709 15.999 > 57 61 O 0.20498237824756 0.14391539310929 0.86172685863709 15.999 > 57 62 O 0.70498237824756 0.14391539310929 0.86172685863709 15.999 > 57 63 O 0.20498237824756 0.64391539310930 0.86172685863709 15.999 > 57 64 O 0.70498237824756 0.64391539310930 0.86172685863709 15.999 > 57 65 Na 0.13120808992386 0.33419803657951 0.37513869711794 22.990 > 65 66 Na 0.63120808992386 0.33419803657951 0.37513869711794 22.990 > 65 67 Na 0.13120808992386 0.83419803657951 0.37513869711794 22.990 > 65 68 Na 0.63120808992386 0.83419803657951 0.37513869711794 22.990 > 65 69 Na 0.13120808992386 0.33419803657951 0.87513869711794 22.990 > 65 70 Na 0.63120808992386 0.33419803657951 0.87513869711794 22.990 > 65 71 Na 0.13120808992386 0.83419803657951 0.87513869711794 22.990 > 65 72 Na 0.63120808992386 0.83419803657951 0.87513869711794 22.990 > 65 73 Na 0.25722447097085 0.40837756000672 0.25285291357569 22.990 > 73 74 Na 0.75722447097085 0.40837756000672 0.25285291357569 22.990 > 73 75 Na 0.25722447097085 0.90837756000672 0.25285291357569 22.990 > 73 76 Na 0.75722447097085 0.90837756000672 0.25285291357569 22.990 > 73 77 Na 0.25722447097085 0.40837756000672 0.75285291357569 22.990 > 73 78 Na 0.75722447097085 0.40837756000672 0.75285291357569 22.990 > 73 79 Na 0.25722447097085 0.90837756000672 0.75285291357569 22.990 > 73 80 Na 0.75722447097085 0.90837756000672 0.75285291357569 22.990 > 73 81 Na 0.13120808992386 0.16580196342049 0.12513869711794 22.990 > 81 82 Na 0.63120808992386 0.16580196342049 0.12513869711794 22.990 > 81 83 Na 0.13120808992386 0.66580196342049 0.12513869711794 22.990 > 81 84 Na 0.63120808992386 0.66580196342049 0.12513869711794 22.990 > 81 85 Na 0.13120808992386 0.16580196342049 0.62513869711794 22.990 > 81 86 Na 0.63120808992386 0.16580196342049 0.62513869711794 22.990 > 81 87 Na 0.13120808992386 0.66580196342049 0.62513869711794 22.990 > 81 88 Na 0.63120808992386 0.66580196342049 0.62513869711794 22.990 > 81 89 Na 0.25722447097085 0.09162243999328 0.00285291357569 22.990 > 89 90 Na 0.75722447097085 0.09162243999328 0.00285291357569 22.990 > 89 91 Na 0.25722447097085 0.59162243999328 0.00285291357569 22.990 > 89 92 Na 0.75722447097085 0.59162243999328 0.00285291357569 22.990 > 89 93 Na 0.25722447097085 0.09162243999328 0.50285291357569 22.990 > 89 94 Na 0.75722447097085 0.09162243999328 0.50285291357569 22.990 > 89 95 Na 0.25722447097085 0.59162243999328 0.50285291357569 22.990 > 89 96 Na 0.75722447097085 0.59162243999328 0.50285291357569 22.990 > 89 97 Mg 0.49936079898216 0.40733135310084 0.49979242680338 24.305 > 97 98 Mg 0.99936079898216 0.40733135310084 0.49979242680338 24.305 > 97 99 Mg 0.49936079898216 0.90733135310084 0.49979242680338 24.305 > 97 100 Mg 0.99936079898216 0.90733135310084 0.49979242680338 24.305 > 97 101 Mg 0.49936079898216 0.40733135310084 0.99979242680338 24.305 > 97 102 Mg 0.99936079898216 0.40733135310084 0.99979242680338 24.305 > 97 103 Mg 0.49936079898216 0.90733135310084 0.99979242680338 24.305 > 97 104 Mg 0.99936079898216 0.90733135310084 0.99979242680338 24.305 > 97 105 Mg 0.49936079898216 0.09266864689916 0.24979242680338 24.305 > 105 106 Mg 0.99936079898216 0.09266864689916 0.24979242680338 24.305 > 105 107 Mg 0.49936079898216 0.59266864689916 0.24979242680338 24.305 > 105 108 Mg 0.99936079898216 0.59266864689916 0.24979242680338 24.305 > 105 109 Mg 0.49936079898216 0.09266864689916 0.74979242680338 24.305 > 105 110 Mg 0.99936079898216 0.09266864689916 0.74979242680338 24.305 > 105 111 Mg 0.49936079898216 0.59266864689916 0.74979242680338 24.305 > 105 112 Mg 0.99936079898216 0.59266864689916 0.74979242680338 24.305 > 105 113 Si 0.37363671680221 0.34337850067192 0.12618700103631 28.085 > 113 114 Si 0.87363671680221 0.34337850067192 0.12618700103631 28.085 > 113 115 Si 0.37363671680221 0.84337850067192 0.12618700103631 28.085 > 113 116 Si 0.87363671680221 0.84337850067192 0.12618700103631 28.085 > 113 117 Si 0.37363671680221 0.34337850067192 0.62618700103631 28.085 > 113 118 Si 0.87363671680221 0.34337850067192 0.62618700103631 28.085 > 113 119 Si 0.37363671680221 0.84337850067192 0.62618700103631 28.085 > 113 120 Si 0.87363671680221 0.84337850067192 0.62618700103631 28.085 > 113 121 Si 0.37363671680221 0.15662149932808 0.37618700103631 28.085 > 121 122 Si 0.87363671680221 0.15662149932808 0.37618700103631 28.085 > 121 123 Si 0.37363671680221 0.65662149932808 0.37618700103631 28.085 > 121 124 Si 0.87363671680221 0.65662149932808 0.37618700103631 28.085 > 121 125 Si 0.37363671680221 0.15662149932808 0.87618700103631 28.085 > 121 126 Si 0.87363671680221 0.15662149932808 0.87618700103631 28.085 > 121 127 Si 0.37363671680221 0.65662149932808 0.87618700103631 28.085 > 121 128 Si 0.87363671680221 0.65662149932808 0.87618700103631 28.085 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5645448 0.0000000 0.0016970 0.0000000 2.5696765 0.0000000 0.0016962 0.0000000 2.5329094 -------------------------- Born effective charges -------------------------- 1 O -1.7560363 0.1470264 0.4213029 0.1343331 -1.3788496 -0.1951454 0.4123802 -0.2602561 -1.8589493 2 O -1.7560363 -0.1470264 0.4213029 -0.1343331 -1.3788496 0.1951454 0.4123802 0.2602561 -1.8589493 3 O -1.3603693 0.0863671 -0.1732393 0.0677845 -1.8042911 0.4465504 -0.1656224 0.4493694 -1.8444509 4 O -1.3603693 -0.0863671 -0.1732393 -0.0677845 -1.8042911 -0.4465504 -0.1656224 -0.4493694 -1.8444509 5 O -2.2318814 0.0974602 -0.2488697 0.0986692 -1.2815238 0.0255195 -0.2596113 0.0813680 -1.4385440 6 O -1.3555039 0.1483349 0.0013567 0.1565143 -2.1949844 0.2585853 0.0077383 0.2685311 -1.4412786 7 O -1.3555039 -0.1483349 0.0013567 -0.1565143 -2.1949844 -0.2585853 0.0077383 -0.2685311 -1.4412786 8 O -2.2318814 -0.0974602 -0.2488697 -0.0986692 -1.2815238 -0.0255195 -0.2596113 -0.0813680 -1.4385440 9 Na 1.0875131 -0.0193806 0.0024821 -0.0099278 1.0180235 0.0031131 0.0098859 0.0034024 1.0965823 10 Na 1.0433682 -0.0029969 -0.0201155 0.0070477 1.0404236 0.0059042 -0.0006551 0.0279472 0.9955559 11 Na 1.0875131 0.0193806 0.0024821 0.0099278 1.0180235 -0.0031131 0.0098859 -0.0034024 1.0965823 12 Na 1.0433682 0.0029969 -0.0201155 -0.0070477 1.0404236 -0.0059042 -0.0006551 -0.0279472 0.9955559 13 Mg 1.8753377 -0.0419249 0.1000406 0.0149853 1.9220436 0.0377441 -0.0768994 -0.1188994 1.7779198 14 Mg 1.8753377 0.0419249 0.1000406 -0.0149853 1.9220436 -0.0377441 -0.0768994 0.1188994 1.7779198 15 Si 2.6975718 0.0184997 -0.0829579 -0.0475633 2.6791583 0.0679708 0.0727838 -0.0946078 2.7131647 16 Si 2.6975718 -0.0184997 -0.0829579 0.0475633 2.6791583 -0.0679708 0.0727838 0.0946078 2.7131647 ---------------------------------------------------------------------------- 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 33, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 97, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000019 (xzx) 0.00000019 (xzx) 0.00000019 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (xz) -0.00000006 (xz) 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 21:37:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:37:29]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pc (7) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.276867530112780 0.000000000000000 0.000000000000000 b 0.000000000000000 5.520198109999999 0.000000000000000 c -5.255289217086474 0.000000000000000 6.992533811227804 Atomic positions (fractional): 1 O 0.69589090671308 0.20982737357579 0.55881965409766 15.999 2 O 0.69589090671308 0.79017262642421 0.05881965409766 15.999 3 O 0.01987102273467 0.15595373887555 0.94406345986669 15.999 4 O 0.01987102273467 0.84404626112445 0.44406345986668 15.999 5 O 0.40996475649511 0.71216921378141 0.22345371727417 15.999 6 O 0.85193318069899 0.39858003110704 0.28217106169484 15.999 7 O 0.85193318069899 0.60141996889296 0.78217106169484 15.999 8 O 0.40996475649511 0.28783078621859 0.72345371727417 15.999 9 Na 0.26241617984771 0.66839607315901 0.75027739423589 22.990 10 Na 0.51444894194169 0.81675512001345 0.50570582715139 22.990 11 Na 0.26241617984771 0.33160392684098 0.25027739423589 22.990 12 Na 0.51444894194169 0.18324487998655 0.00570582715139 22.990 13 Mg 0.99872159796431 0.81466270620168 0.99958485360675 24.305 14 Mg 0.99872159796431 0.18533729379832 0.49958485360675 24.305 15 Si 0.74727343360443 0.68675700134384 0.25237400207261 28.085 16 Si 0.74727343360443 0.31324299865616 0.75237400207261 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.553735060225559 0.000000000000000 0.000000000000000 b 0.000000000000000 11.040396219999998 0.000000000000000 c -10.510578434172947 0.000000000000000 13.985067622455608 Atomic positions (fractional): 1 O 0.34794545335654 0.10491368678789 0.27940982704883 15.999 > 1 2 O 0.84794545335654 0.10491368678789 0.27940982704883 15.999 > 1 3 O 0.34794545335654 0.60491368678789 0.27940982704883 15.999 > 1 4 O 0.84794545335654 0.60491368678789 0.27940982704883 15.999 > 1 5 O 0.34794545335654 0.10491368678789 0.77940982704883 15.999 > 1 6 O 0.84794545335654 0.10491368678789 0.77940982704883 15.999 > 1 7 O 0.34794545335654 0.60491368678789 0.77940982704883 15.999 > 1 8 O 0.84794545335654 0.60491368678789 0.77940982704883 15.999 > 1 9 O 0.34794545335654 0.39508631321211 0.02940982704883 15.999 > 9 10 O 0.84794545335654 0.39508631321211 0.02940982704883 15.999 > 9 11 O 0.34794545335654 0.89508631321211 0.02940982704883 15.999 > 9 12 O 0.84794545335654 0.89508631321211 0.02940982704883 15.999 > 9 13 O 0.34794545335654 0.39508631321211 0.52940982704883 15.999 > 9 14 O 0.84794545335654 0.39508631321211 0.52940982704883 15.999 > 9 15 O 0.34794545335654 0.89508631321211 0.52940982704883 15.999 > 9 16 O 0.84794545335654 0.89508631321211 0.52940982704883 15.999 > 9 17 O 0.00993551136733 0.07797686943778 0.47203172993334 15.999 > 17 18 O 0.50993551136733 0.07797686943778 0.47203172993334 15.999 > 17 19 O 0.00993551136733 0.57797686943778 0.47203172993334 15.999 > 17 20 O 0.50993551136733 0.57797686943778 0.47203172993334 15.999 > 17 21 O 0.00993551136733 0.07797686943778 0.97203172993334 15.999 > 17 22 O 0.50993551136733 0.07797686943778 0.97203172993334 15.999 > 17 23 O 0.00993551136733 0.57797686943778 0.97203172993334 15.999 > 17 24 O 0.50993551136733 0.57797686943778 0.97203172993334 15.999 > 17 25 O 0.00993551136733 0.42202313056222 0.22203172993334 15.999 > 25 26 O 0.50993551136733 0.42202313056222 0.22203172993334 15.999 > 25 27 O 0.00993551136733 0.92202313056222 0.22203172993334 15.999 > 25 28 O 0.50993551136733 0.92202313056222 0.22203172993334 15.999 > 25 29 O 0.00993551136733 0.42202313056222 0.72203172993334 15.999 > 25 30 O 0.50993551136733 0.42202313056222 0.72203172993334 15.999 > 25 31 O 0.00993551136733 0.92202313056222 0.72203172993334 15.999 > 25 32 O 0.50993551136733 0.92202313056222 0.72203172993334 15.999 > 25 33 O 0.20498237824756 0.35608460689070 0.11172685863709 15.999 > 33 34 O 0.70498237824756 0.35608460689070 0.11172685863709 15.999 > 33 35 O 0.20498237824756 0.85608460689070 0.11172685863709 15.999 > 33 36 O 0.70498237824756 0.85608460689070 0.11172685863709 15.999 > 33 37 O 0.20498237824756 0.35608460689070 0.61172685863709 15.999 > 33 38 O 0.70498237824756 0.35608460689070 0.61172685863709 15.999 > 33 39 O 0.20498237824756 0.85608460689070 0.61172685863709 15.999 > 33 40 O 0.70498237824756 0.85608460689070 0.61172685863709 15.999 > 33 41 O 0.42596659034949 0.19929001555352 0.14108553084742 15.999 > 41 42 O 0.92596659034949 0.19929001555352 0.14108553084742 15.999 > 41 43 O 0.42596659034949 0.69929001555352 0.14108553084742 15.999 > 41 44 O 0.92596659034949 0.69929001555352 0.14108553084742 15.999 > 41 45 O 0.42596659034949 0.19929001555352 0.64108553084742 15.999 > 41 46 O 0.92596659034949 0.19929001555352 0.64108553084742 15.999 > 41 47 O 0.42596659034949 0.69929001555352 0.64108553084742 15.999 > 41 48 O 0.92596659034949 0.69929001555352 0.64108553084742 15.999 > 41 49 O 0.42596659034949 0.30070998444648 0.39108553084742 15.999 > 49 50 O 0.92596659034949 0.30070998444648 0.39108553084742 15.999 > 49 51 O 0.42596659034949 0.80070998444648 0.39108553084742 15.999 > 49 52 O 0.92596659034949 0.80070998444648 0.39108553084742 15.999 > 49 53 O 0.42596659034949 0.30070998444648 0.89108553084742 15.999 > 49 54 O 0.92596659034949 0.30070998444648 0.89108553084742 15.999 > 49 55 O 0.42596659034949 0.80070998444648 0.89108553084742 15.999 > 49 56 O 0.92596659034949 0.80070998444648 0.89108553084742 15.999 > 49 57 O 0.20498237824756 0.14391539310929 0.36172685863709 15.999 > 57 58 O 0.70498237824756 0.14391539310929 0.36172685863709 15.999 > 57 59 O 0.20498237824756 0.64391539310930 0.36172685863709 15.999 > 57 60 O 0.70498237824756 0.64391539310930 0.36172685863709 15.999 > 57 61 O 0.20498237824756 0.14391539310929 0.86172685863709 15.999 > 57 62 O 0.70498237824756 0.14391539310929 0.86172685863709 15.999 > 57 63 O 0.20498237824756 0.64391539310930 0.86172685863709 15.999 > 57 64 O 0.70498237824756 0.64391539310930 0.86172685863709 15.999 > 57 65 Na 0.13120808992386 0.33419803657951 0.37513869711794 22.990 > 65 66 Na 0.63120808992386 0.33419803657951 0.37513869711794 22.990 > 65 67 Na 0.13120808992386 0.83419803657951 0.37513869711794 22.990 > 65 68 Na 0.63120808992386 0.83419803657951 0.37513869711794 22.990 > 65 69 Na 0.13120808992386 0.33419803657951 0.87513869711794 22.990 > 65 70 Na 0.63120808992386 0.33419803657951 0.87513869711794 22.990 > 65 71 Na 0.13120808992386 0.83419803657951 0.87513869711794 22.990 > 65 72 Na 0.63120808992386 0.83419803657951 0.87513869711794 22.990 > 65 73 Na 0.25722447097085 0.40837756000672 0.25285291357569 22.990 > 73 74 Na 0.75722447097085 0.40837756000672 0.25285291357569 22.990 > 73 75 Na 0.25722447097085 0.90837756000672 0.25285291357569 22.990 > 73 76 Na 0.75722447097085 0.90837756000672 0.25285291357569 22.990 > 73 77 Na 0.25722447097085 0.40837756000672 0.75285291357569 22.990 > 73 78 Na 0.75722447097085 0.40837756000672 0.75285291357569 22.990 > 73 79 Na 0.25722447097085 0.90837756000672 0.75285291357569 22.990 > 73 80 Na 0.75722447097085 0.90837756000672 0.75285291357569 22.990 > 73 81 Na 0.13120808992386 0.16580196342049 0.12513869711794 22.990 > 81 82 Na 0.63120808992386 0.16580196342049 0.12513869711794 22.990 > 81 83 Na 0.13120808992386 0.66580196342049 0.12513869711794 22.990 > 81 84 Na 0.63120808992386 0.66580196342049 0.12513869711794 22.990 > 81 85 Na 0.13120808992386 0.16580196342049 0.62513869711794 22.990 > 81 86 Na 0.63120808992386 0.16580196342049 0.62513869711794 22.990 > 81 87 Na 0.13120808992386 0.66580196342049 0.62513869711794 22.990 > 81 88 Na 0.63120808992386 0.66580196342049 0.62513869711794 22.990 > 81 89 Na 0.25722447097085 0.09162243999328 0.00285291357569 22.990 > 89 90 Na 0.75722447097085 0.09162243999328 0.00285291357569 22.990 > 89 91 Na 0.25722447097085 0.59162243999328 0.00285291357569 22.990 > 89 92 Na 0.75722447097085 0.59162243999328 0.00285291357569 22.990 > 89 93 Na 0.25722447097085 0.09162243999328 0.50285291357569 22.990 > 89 94 Na 0.75722447097085 0.09162243999328 0.50285291357569 22.990 > 89 95 Na 0.25722447097085 0.59162243999328 0.50285291357569 22.990 > 89 96 Na 0.75722447097085 0.59162243999328 0.50285291357569 22.990 > 89 97 Mg 0.49936079898216 0.40733135310084 0.49979242680338 24.305 > 97 98 Mg 0.99936079898216 0.40733135310084 0.49979242680338 24.305 > 97 99 Mg 0.49936079898216 0.90733135310084 0.49979242680338 24.305 > 97 100 Mg 0.99936079898216 0.90733135310084 0.49979242680338 24.305 > 97 101 Mg 0.49936079898216 0.40733135310084 0.99979242680338 24.305 > 97 102 Mg 0.99936079898216 0.40733135310084 0.99979242680338 24.305 > 97 103 Mg 0.49936079898216 0.90733135310084 0.99979242680338 24.305 > 97 104 Mg 0.99936079898216 0.90733135310084 0.99979242680338 24.305 > 97 105 Mg 0.49936079898216 0.09266864689916 0.24979242680338 24.305 > 105 106 Mg 0.99936079898216 0.09266864689916 0.24979242680338 24.305 > 105 107 Mg 0.49936079898216 0.59266864689916 0.24979242680338 24.305 > 105 108 Mg 0.99936079898216 0.59266864689916 0.24979242680338 24.305 > 105 109 Mg 0.49936079898216 0.09266864689916 0.74979242680338 24.305 > 105 110 Mg 0.99936079898216 0.09266864689916 0.74979242680338 24.305 > 105 111 Mg 0.49936079898216 0.59266864689916 0.74979242680338 24.305 > 105 112 Mg 0.99936079898216 0.59266864689916 0.74979242680338 24.305 > 105 113 Si 0.37363671680221 0.34337850067192 0.12618700103631 28.085 > 113 114 Si 0.87363671680221 0.34337850067192 0.12618700103631 28.085 > 113 115 Si 0.37363671680221 0.84337850067192 0.12618700103631 28.085 > 113 116 Si 0.87363671680221 0.84337850067192 0.12618700103631 28.085 > 113 117 Si 0.37363671680221 0.34337850067192 0.62618700103631 28.085 > 113 118 Si 0.87363671680221 0.34337850067192 0.62618700103631 28.085 > 113 119 Si 0.37363671680221 0.84337850067192 0.62618700103631 28.085 > 113 120 Si 0.87363671680221 0.84337850067192 0.62618700103631 28.085 > 113 121 Si 0.37363671680221 0.15662149932808 0.37618700103631 28.085 > 121 122 Si 0.87363671680221 0.15662149932808 0.37618700103631 28.085 > 121 123 Si 0.37363671680221 0.65662149932808 0.37618700103631 28.085 > 121 124 Si 0.87363671680221 0.65662149932808 0.37618700103631 28.085 > 121 125 Si 0.37363671680221 0.15662149932808 0.87618700103631 28.085 > 121 126 Si 0.87363671680221 0.15662149932808 0.87618700103631 28.085 > 121 127 Si 0.37363671680221 0.65662149932808 0.87618700103631 28.085 > 121 128 Si 0.87363671680221 0.65662149932808 0.87618700103631 28.085 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5645448 0.0000000 0.0016970 0.0000000 2.5696765 0.0000000 0.0016962 0.0000000 2.5329094 -------------------------- Born effective charges -------------------------- 1 O -1.7560363 0.1470264 0.4213029 0.1343331 -1.3788496 -0.1951454 0.4123802 -0.2602561 -1.8589493 2 O -1.7560363 -0.1470264 0.4213029 -0.1343331 -1.3788496 0.1951454 0.4123802 0.2602561 -1.8589493 3 O -1.3603693 0.0863671 -0.1732393 0.0677845 -1.8042911 0.4465504 -0.1656224 0.4493694 -1.8444509 4 O -1.3603693 -0.0863671 -0.1732393 -0.0677845 -1.8042911 -0.4465504 -0.1656224 -0.4493694 -1.8444509 5 O -2.2318814 0.0974602 -0.2488697 0.0986692 -1.2815238 0.0255195 -0.2596113 0.0813680 -1.4385440 6 O -1.3555039 0.1483349 0.0013567 0.1565143 -2.1949844 0.2585853 0.0077383 0.2685311 -1.4412786 7 O -1.3555039 -0.1483349 0.0013567 -0.1565143 -2.1949844 -0.2585853 0.0077383 -0.2685311 -1.4412786 8 O -2.2318814 -0.0974602 -0.2488697 -0.0986692 -1.2815238 -0.0255195 -0.2596113 -0.0813680 -1.4385440 9 Na 1.0875131 -0.0193806 0.0024821 -0.0099278 1.0180235 0.0031131 0.0098859 0.0034024 1.0965823 10 Na 1.0433682 -0.0029969 -0.0201155 0.0070477 1.0404236 0.0059042 -0.0006551 0.0279472 0.9955559 11 Na 1.0875131 0.0193806 0.0024821 0.0099278 1.0180235 -0.0031131 0.0098859 -0.0034024 1.0965823 12 Na 1.0433682 0.0029969 -0.0201155 -0.0070477 1.0404236 -0.0059042 -0.0006551 -0.0279472 0.9955559 13 Mg 1.8753377 -0.0419249 0.1000406 0.0149853 1.9220436 0.0377441 -0.0768994 -0.1188994 1.7779198 14 Mg 1.8753377 0.0419249 0.1000406 -0.0149853 1.9220436 -0.0377441 -0.0768994 0.1188994 1.7779198 15 Si 2.6975718 0.0184997 -0.0829579 -0.0475633 2.6791583 0.0679708 0.0727838 -0.0946078 2.7131647 16 Si 2.6975718 -0.0184997 -0.0829579 0.0475633 2.6791583 -0.0679708 0.0727838 0.0946078 2.7131647 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (xzx) 0.00000019 (xzx) 0.00000019 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 12 9 7 ] 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: 0.71, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/215) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 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 3.395 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.181 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.698 ( 0.000 0.000 0.000) 0.000 12.253 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.648 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 15.761 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 16.175 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.885 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 24.785 ( 0.000 0.000 0.000) 0.000 25.105 ( 0.000 0.000 0.000) 0.000 25.984 ( 0.000 0.000 0.000) 0.000 26.327 ( 0.000 0.000 0.000) 0.000 26.402 ( 0.000 0.000 0.000) 0.000 26.510 ( 0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 27.864 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/215) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 22.526 0.000 29.925) 37.456 0.753 ( 43.435 0.000 4.770) 43.696 1.427 ( 53.040 0.000 48.447) 71.836 3.372 ( -10.031 0.000 9.102) 13.545 3.647 ( -4.671 0.000 2.125) 5.132 3.924 ( 5.777 0.000 9.066) 10.750 4.422 ( -22.961 0.000 2.809) 23.132 5.000 ( -1.260 0.000 -10.210) 10.288 5.211 ( -16.755 0.000 -20.057) 26.134 5.499 ( -11.014 0.000 -2.431) 11.280 5.603 ( 7.345 0.000 5.317) 9.068 5.754 ( -2.415 0.000 -2.129) 3.219 6.223 ( 5.723 0.000 0.857) 5.787 6.280 ( 2.028 0.000 -10.985) 11.171 6.534 ( 3.078 0.000 -1.719) 3.525 6.847 ( 9.708 0.000 1.099) 9.770 6.865 ( -5.324 0.000 -6.066) 8.071 7.174 ( -0.369 0.000 -0.486) 0.611 7.260 ( 7.332 0.000 5.029) 8.891 7.591 ( -11.435 0.000 12.296) 16.792 8.242 ( 0.281 0.000 -5.137) 5.145 8.363 ( 3.720 0.000 -11.207) 11.809 8.948 ( -5.193 0.000 4.557) 6.909 9.643 ( 1.330 0.000 1.133) 1.747 10.217 ( 2.301 0.000 2.418) 3.338 10.448 ( 4.412 0.000 -5.901) 7.368 11.026 ( -8.110 0.000 -4.137) 9.104 11.174 ( 0.522 0.000 -0.054) 0.525 11.660 ( 19.510 0.000 -19.074) 27.285 11.684 ( -2.876 0.000 1.482) 3.235 12.771 ( -8.939 0.000 10.544) 13.823 13.149 ( 8.591 0.000 2.251) 8.881 13.787 ( 5.818 0.000 -9.794) 11.392 13.909 ( -4.276 0.000 -1.369) 4.490 15.683 ( -6.988 0.000 -0.768) 7.030 16.115 ( 0.229 0.000 -0.015) 0.229 16.206 ( 4.114 0.000 -1.879) 4.522 16.469 ( 14.498 0.000 -20.515) 25.121 17.554 ( -19.668 0.000 28.773) 34.853 17.661 ( 3.600 0.000 3.979) 5.366 24.837 ( 1.907 0.000 2.222) 2.928 25.101 ( 0.402 0.000 -1.155) 1.223 26.095 ( -0.397 0.000 1.083) 1.153 26.376 ( -1.345 0.000 -2.351) 2.708 26.464 ( -5.383 0.000 10.632) 11.918 26.897 ( 2.311 0.000 -1.777) 2.915 27.892 ( -0.099 0.000 4.782) 4.784 28.783 ( 4.881 0.000 -11.556) 12.545 ======================= Grid point 2 (3/215) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 20.708 0.000 29.882) 36.356 1.463 ( 39.429 0.000 3.714) 39.604 2.813 ( 49.576 0.000 47.769) 68.845 3.251 ( -20.420 0.000 8.426) 22.090 3.571 ( -8.719 0.000 2.894) 9.187 3.914 ( -17.978 0.000 -1.294) 18.025 4.333 ( -1.293 0.000 18.063) 18.109 4.724 ( -12.002 0.000 -13.366) 17.964 4.787 ( -9.266 0.000 -14.157) 16.920 5.204 ( -15.348 0.000 -5.680) 16.365 5.671 ( -11.514 0.000 4.186) 12.252 5.751 ( 0.417 0.000 7.617) 7.628 6.176 ( -0.775 0.000 -8.403) 8.439 6.258 ( 4.527 0.000 -8.925) 10.008 6.577 ( 3.872 0.000 -2.876) 4.823 6.688 ( -11.834 0.000 0.355) 11.839 6.958 ( 7.734 0.000 -4.769) 9.086 7.238 ( 6.382 0.000 3.675) 7.364 7.437 ( 4.679 0.000 7.645) 8.963 7.539 ( -4.886 0.000 1.310) 5.058 8.182 ( 5.627 0.000 -12.107) 13.350 8.291 ( 6.187 0.000 -13.171) 14.552 8.888 ( -9.308 0.000 4.567) 10.368 9.681 ( 1.225 0.000 1.368) 1.836 10.296 ( 3.403 0.000 2.865) 4.448 10.365 ( -5.032 0.000 -10.736) 11.856 10.902 ( -2.250 0.000 1.444) 2.673 11.199 ( 1.863 0.000 1.182) 2.206 11.645 ( -4.396 0.000 1.716) 4.720 11.722 ( 6.711 0.000 -5.992) 8.997 12.751 ( -1.885 0.000 0.391) 1.925 13.341 ( 10.128 0.000 2.154) 10.355 13.755 ( -0.025 0.000 -3.007) 3.007 13.783 ( -7.624 0.000 -2.927) 8.167 15.595 ( -2.992 0.000 1.387) 3.298 16.128 ( 1.281 0.000 0.267) 1.309 16.237 ( 3.541 0.000 -3.205) 4.776 16.467 ( 9.687 0.000 -11.386) 14.949 17.578 ( -8.534 0.000 12.127) 14.829 17.781 ( 3.237 0.000 5.710) 6.563 24.913 ( 3.744 0.000 2.654) 4.589 25.087 ( 0.266 0.000 -2.231) 2.246 26.105 ( 0.332 0.000 0.575) 0.664 26.312 ( -1.970 0.000 -3.679) 4.173 26.521 ( -1.676 0.000 8.138) 8.309 26.916 ( 3.318 0.000 -2.886) 4.397 27.969 ( 0.380 0.000 7.587) 7.596 28.695 ( -0.382 0.000 -9.009) 9.017 ======================= Grid point 3 (4/215) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 13.157 0.000 27.245) 30.256 2.056 ( 29.896 0.000 2.044) 29.966 2.948 ( -20.143 0.000 0.930) 20.165 3.431 ( -11.110 0.000 2.714) 11.437 3.587 ( -16.682 0.000 -3.837) 17.117 4.113 ( 41.899 0.000 41.854) 59.222 4.328 ( -7.802 0.000 4.233) 8.876 4.356 ( -20.577 0.000 -10.426) 23.068 4.794 ( 6.404 0.000 15.598) 16.861 4.996 ( -0.636 0.000 -8.837) 8.860 5.443 ( -23.403 0.000 3.394) 23.648 5.796 ( -6.506 0.000 9.145) 11.223 6.050 ( -4.165 0.000 -5.458) 6.866 6.187 ( 3.292 0.000 -12.844) 13.259 6.523 ( 0.641 0.000 -9.200) 9.223 6.548 ( -6.216 0.000 1.441) 6.381 7.080 ( 11.153 0.000 -0.388) 11.160 7.391 ( 7.669 0.000 1.309) 7.780 7.434 ( -5.022 0.000 -2.361) 5.550 7.615 ( 2.941 0.000 8.649) 9.135 8.142 ( 8.221 0.000 -13.127) 15.489 8.249 ( 8.262 0.000 -13.491) 15.820 8.778 ( -12.874 0.000 7.607) 14.953 9.691 ( -3.742 0.000 0.979) 3.868 10.061 ( -9.901 0.000 -15.402) 18.310 10.383 ( 3.757 0.000 1.940) 4.228 10.984 ( 5.517 0.000 5.247) 7.614 11.255 ( 2.296 0.000 2.030) 3.065 11.590 ( -4.573 0.000 1.163) 4.719 11.731 ( 0.353 0.000 -1.438) 1.481 12.718 ( -0.208 0.000 -3.372) 3.378 13.391 ( -5.239 0.000 -5.171) 7.361 13.706 ( 3.322 0.000 0.782) 3.412 13.721 ( -1.357 0.000 -0.689) 1.522 15.638 ( 3.324 0.000 4.711) 5.765 16.158 ( 1.502 0.000 0.789) 1.696 16.252 ( 3.549 0.000 -3.141) 4.739 16.518 ( 11.893 0.000 -8.333) 14.522 17.561 ( -7.732 0.000 6.432) 10.058 17.873 ( -0.244 0.000 5.005) 5.011 25.008 ( 4.147 0.000 2.511) 4.848 25.054 ( -0.505 0.000 -3.064) 3.105 26.119 ( 0.648 0.000 0.441) 0.784 26.236 ( -1.830 0.000 -3.663) 4.095 26.598 ( -0.474 0.000 7.257) 7.273 26.925 ( 2.427 0.000 -3.407) 4.183 28.081 ( 1.805 0.000 8.205) 8.401 28.563 ( -2.641 0.000 -8.777) 9.166 ======================= Grid point 4 (5/215) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -15.198 0.000 7.209) 16.821 2.394 ( 9.314 0.000 0.771) 9.346 2.893 ( 4.911 0.000 10.184) 11.306 3.274 ( -7.790 0.000 -5.709) 9.658 3.407 ( 0.540 0.000 1.576) 1.666 3.910 ( -14.431 0.000 -4.134) 15.011 4.345 ( -5.225 0.000 14.285) 15.211 4.881 ( -3.381 0.000 -6.182) 7.046 4.966 ( -0.303 0.000 1.596) 1.624 5.067 ( -17.326 0.000 5.545) 18.192 5.234 ( 26.733 0.000 25.148) 36.703 5.783 ( -7.238 0.000 3.698) 8.128 5.974 ( 1.538 0.000 3.255) 3.600 6.064 ( 0.738 0.000 -8.713) 8.745 6.502 ( 7.306 0.000 -2.246) 7.643 6.523 ( -1.767 0.000 4.227) 4.581 7.231 ( 5.163 0.000 1.207) 5.302 7.321 ( -4.176 0.000 -3.321) 5.336 7.489 ( 6.063 0.000 -3.296) 6.901 7.742 ( 1.647 0.000 6.097) 6.315 8.130 ( 8.788 0.000 -11.492) 14.467 8.230 ( 12.172 0.000 -16.387) 20.413 8.685 ( -15.809 0.000 15.128) 21.881 9.440 ( -21.009 0.000 -9.847) 23.202 9.874 ( 2.634 0.000 -6.160) 6.700 10.457 ( 3.400 0.000 1.020) 3.550 11.151 ( 6.675 0.000 5.130) 8.419 11.304 ( 0.887 0.000 1.488) 1.732 11.537 ( -3.113 0.000 0.469) 3.148 11.714 ( -1.607 0.000 0.899) 1.842 12.662 ( -0.886 0.000 -4.371) 4.460 13.174 ( -8.898 0.000 -7.461) 11.612 13.698 ( -1.048 0.000 0.094) 1.053 13.807 ( 5.431 0.000 0.877) 5.501 15.776 ( 4.802 0.000 5.787) 7.520 16.186 ( 0.870 0.000 0.607) 1.060 16.288 ( 4.907 0.000 -1.656) 5.179 16.642 ( 14.113 0.000 -6.010) 15.339 17.488 ( -9.119 0.000 4.034) 9.972 17.888 ( -3.531 0.000 2.882) 4.558 25.001 ( -1.339 0.000 -3.265) 3.529 25.095 ( 3.419 0.000 1.883) 3.904 26.134 ( 0.693 0.000 0.360) 0.780 26.174 ( -1.225 0.000 -2.666) 2.934 26.671 ( -0.138 0.000 5.747) 5.748 26.910 ( 0.736 0.000 -3.215) 3.298 28.213 ( 3.011 0.000 6.999) 7.620 28.416 ( -3.166 0.000 -7.718) 8.342 ======================= Grid point 5 (6/215) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -12.888 0.000 0.659) 12.905 2.426 ( -3.494 0.000 2.748) 4.445 3.001 ( -11.019 0.000 -11.777) 16.128 3.024 ( 2.273 0.000 2.033) 3.049 3.674 ( 13.381 0.000 15.023) 20.119 3.851 ( 3.864 0.000 1.707) 4.224 4.454 ( -3.769 0.000 13.421) 13.940 4.628 ( -12.731 0.000 -3.370) 13.169 4.861 ( -4.524 0.000 -8.253) 9.412 4.980 ( 0.007 0.000 0.147) 0.147 5.527 ( -4.481 0.000 2.377) 5.073 5.599 ( -5.168 0.000 -12.221) 13.268 6.069 ( -0.191 0.000 3.849) 3.854 6.364 ( 18.419 0.000 13.187) 22.653 6.592 ( 1.370 0.000 10.816) 10.902 6.692 ( 11.441 0.000 6.919) 13.371 7.220 ( -5.783 0.000 -2.579) 6.332 7.272 ( 0.768 0.000 3.060) 3.155 7.523 ( 5.233 0.000 -4.889) 7.161 7.800 ( 1.467 0.000 -1.075) 1.818 8.147 ( 8.088 0.000 -8.022) 11.391 8.253 ( 12.395 0.000 -13.026) 17.981 8.633 ( -13.781 0.000 15.314) 20.602 8.944 ( -22.325 0.000 -11.356) 25.047 9.878 ( 2.328 0.000 -1.813) 2.951 10.512 ( 2.225 0.000 0.613) 2.308 11.290 ( 4.233 0.000 2.897) 5.129 11.314 ( -0.621 0.000 0.241) 0.666 11.507 ( -1.046 0.000 0.092) 1.050 11.709 ( -0.960 0.000 1.604) 1.870 12.597 ( -1.209 0.000 -3.163) 3.386 12.988 ( -4.658 0.000 -4.798) 6.687 13.688 ( -0.476 0.000 0.160) 0.502 13.875 ( 2.585 0.000 -0.051) 2.586 15.890 ( 2.288 0.000 3.389) 4.089 16.201 ( 0.371 0.000 0.239) 0.441 16.362 ( 4.714 0.000 0.202) 4.718 16.797 ( 11.914 0.000 -3.774) 12.497 17.382 ( -8.681 0.000 2.708) 9.093 17.847 ( -3.626 0.000 0.877) 3.731 24.944 ( -1.249 0.000 -2.238) 2.563 25.156 ( 1.917 0.000 1.002) 2.163 26.136 ( -0.545 0.000 -1.312) 1.421 26.147 ( 0.454 0.000 0.217) 0.504 26.724 ( -0.080 0.000 3.256) 3.257 26.881 ( -0.117 0.000 -1.997) 2.001 28.296 ( -2.106 0.000 -4.709) 5.159 28.325 ( 2.349 0.000 4.093) 4.720 ======================= Grid point 6 (7/215) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 -0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.912 ( -0.000 0.000 -0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.281 ( -0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 9.887 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.922 ( 0.000 0.000 0.000) 0.000 13.686 ( 0.000 0.000 0.000) 0.000 13.894 ( 0.000 0.000 0.000) 0.000 15.927 ( 0.000 0.000 0.000) 0.000 16.205 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 17.318 ( -0.000 0.000 0.000) 0.000 17.819 ( 0.000 0.000 0.000) 0.000 24.919 ( 0.000 0.000 0.000) 0.000 25.177 ( 0.000 0.000 0.000) 0.000 26.124 ( 0.000 0.000 0.000) 0.000 26.152 ( 0.000 0.000 0.000) 0.000 26.743 ( 0.000 0.000 0.000) 0.000 26.867 ( 0.000 0.000 0.000) 0.000 28.250 ( 0.000 0.000 0.000) 0.000 28.370 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/215) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 32.912 0.000) 32.912 0.844 ( 0.000 41.465 0.000) 41.465 1.337 ( 0.000 62.719 0.000) 62.719 3.479 ( 0.000 7.621 0.000) 7.621 3.705 ( 0.000 -9.436 0.000) 9.436 3.849 ( 0.000 15.533 0.000) 15.533 4.608 ( 0.000 -4.399 0.000) 4.399 4.960 ( 0.000 -9.909 0.000) 9.909 5.278 ( 0.000 -15.050 0.000) 15.050 5.317 ( 0.000 -18.469 0.000) 18.469 5.490 ( 0.000 -5.803 0.000) 5.803 5.761 ( 0.000 5.502 0.000) 5.502 6.093 ( 0.000 -3.568 0.000) 3.568 6.196 ( 0.000 -3.955 0.000) 3.955 6.520 ( 0.000 1.965 0.000) 1.965 6.745 ( 0.000 6.440 0.000) 6.440 7.015 ( 0.000 -2.259 0.000) 2.259 7.086 ( 0.000 -1.530 0.000) 1.530 7.447 ( 0.000 6.068 0.000) 6.068 7.481 ( 0.000 3.959 0.000) 3.959 8.223 ( 0.000 -0.508 0.000) 0.508 8.645 ( 0.000 0.885 0.000) 0.885 8.963 ( 0.000 1.187 0.000) 1.187 9.669 ( 0.000 0.924 0.000) 0.924 9.987 ( 0.000 -4.353 0.000) 4.353 10.348 ( 0.000 2.090 0.000) 2.090 11.131 ( 0.000 -0.044 0.000) 0.044 11.205 ( 0.000 -0.601 0.000) 0.601 11.443 ( 0.000 1.394 0.000) 1.394 12.210 ( 0.000 0.328 0.000) 0.328 12.293 ( 0.000 5.085 0.000) 5.085 13.304 ( 0.000 -11.150 0.000) 11.150 13.662 ( 0.000 0.423 0.000) 0.423 14.570 ( 0.000 -5.873 0.000) 5.873 15.844 ( 0.000 -14.392 0.000) 14.392 15.991 ( 0.000 -1.890 0.000) 1.890 16.254 ( 0.000 5.228 0.000) 5.228 16.630 ( 0.000 15.144 0.000) 15.144 16.912 ( 0.000 2.631 0.000) 2.631 17.697 ( 0.000 -1.799 0.000) 1.799 24.815 ( 0.000 2.728 0.000) 2.728 25.108 ( 0.000 0.388 0.000) 0.388 26.026 ( 0.000 3.967 0.000) 3.967 26.339 ( 0.000 1.152 0.000) 1.152 26.518 ( 0.000 0.773 0.000) 0.773 26.875 ( 0.000 -1.397 0.000) 1.397 27.619 ( 0.000 -2.445 0.000) 2.445 29.101 ( 0.000 -1.792 0.000) 1.792 ======================= Grid point 14 (9/215) ======================= q-point: ( 0.08 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 27.778 26.500 -3.758) 38.575 1.114 ( 28.449 21.434 14.661) 38.519 1.954 ( 29.600 44.911 43.732) 69.322 3.411 ( -10.400 4.806 2.871) 11.811 3.752 ( -1.249 -4.014 3.374) 5.391 3.897 ( 1.263 9.493 10.656) 14.327 4.382 ( -22.473 -3.993 1.781) 22.894 4.856 ( -2.337 -9.295 -14.880) 17.699 5.176 ( -11.025 -11.751 -7.876) 17.935 5.368 ( -4.844 -6.942 -0.201) 8.467 5.498 ( 5.372 -8.667 2.428) 10.482 5.641 ( -3.553 -5.083 -1.668) 6.422 6.108 ( -4.382 -6.515 -1.006) 7.916 6.281 ( 6.378 0.484 3.864) 7.473 6.605 ( 4.921 3.670 -0.968) 6.214 6.790 ( 0.775 -1.614 1.564) 2.377 6.971 ( 2.132 1.593 -3.297) 4.237 7.102 ( 0.632 -4.724 0.590) 4.803 7.361 ( -4.141 5.979 -0.039) 7.273 7.545 ( 1.603 2.076 2.505) 3.627 8.214 ( 2.581 -1.539 -5.525) 6.289 8.507 ( -0.940 7.310 -12.714) 14.696 8.958 ( -6.623 -0.017 5.666) 8.716 9.671 ( -1.135 0.793 0.555) 1.492 10.072 ( 6.397 -8.623 1.864) 10.898 10.407 ( 4.836 1.798 0.219) 5.164 10.968 ( -10.232 -3.438 -5.724) 12.218 11.196 ( -0.967 0.781 1.234) 1.752 11.564 ( 8.466 -0.995 0.771) 8.559 11.986 ( -0.928 11.320 -12.434) 16.841 12.582 ( 7.195 -5.073 11.184) 14.233 13.280 ( -0.849 -3.357 0.865) 3.569 13.687 ( 3.783 -2.585 -2.683) 5.309 14.224 ( -10.220 12.946 -19.332) 25.413 15.636 ( -9.338 -4.697 -2.783) 10.817 16.006 ( -0.309 -5.297 0.577) 5.337 16.281 ( 3.806 3.477 -3.645) 6.313 16.607 ( 7.547 11.982 -12.168) 18.670 17.267 ( -0.086 -11.974 29.819) 32.134 17.710 ( -0.170 -0.537 3.418) 3.464 24.849 ( 2.083 1.805 2.153) 3.497 25.107 ( 0.412 0.429 -1.023) 1.184 26.076 ( 1.729 0.912 2.075) 2.851 26.345 ( -0.703 0.084 0.815) 1.080 26.548 ( 0.697 3.406 1.938) 3.980 26.866 ( 2.295 -1.996 -2.373) 3.858 27.764 ( 5.760 -6.670 8.168) 12.015 28.913 ( -7.337 4.719 -10.397) 13.572 ======================= Grid point 15 (10/215) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 32.681 11.475 4.193) 34.889 1.807 ( 30.192 16.909 17.296) 38.686 3.042 ( 30.355 20.870 41.102) 55.194 3.233 ( -10.539 2.938 7.244) 13.121 3.657 ( -14.151 -2.736 -0.109) 14.414 3.962 ( -10.897 11.169 3.899) 16.084 4.261 ( -2.021 -6.315 16.956) 18.207 4.526 ( -9.557 -6.893 -15.591) 19.543 4.961 ( -4.313 2.230 -8.467) 9.761 5.112 ( -19.662 -3.455 -2.596) 20.132 5.518 ( -7.923 -11.638 6.866) 15.664 5.688 ( 1.337 -6.278 2.942) 7.061 6.054 ( -2.876 -6.103 -1.139) 6.843 6.324 ( 0.892 -0.783 -2.920) 3.152 6.588 ( 0.651 5.813 -8.526) 10.339 6.748 ( -5.973 1.568 0.686) 6.213 7.033 ( 5.460 2.035 -2.450) 6.321 7.136 ( 3.424 -9.050 3.174) 10.184 7.368 ( 2.854 -3.251 2.330) 4.913 7.576 ( 0.368 4.396 0.073) 4.412 8.174 ( 4.992 -0.962 -10.733) 11.876 8.386 ( 4.547 7.399 -12.640) 15.336 8.877 ( -10.523 -1.648 4.034) 11.390 9.659 ( -1.351 -1.835 0.805) 2.416 10.158 ( 1.393 -8.926 -1.738) 9.200 10.424 ( -0.181 4.815 -4.458) 6.564 10.818 ( -1.101 -6.418 0.502) 6.531 11.215 ( 0.031 0.953 2.982) 3.131 11.659 ( 1.172 0.221 2.006) 2.334 11.876 ( 0.245 10.845 -6.352) 12.570 12.733 ( 3.067 -0.563 1.677) 3.541 13.332 ( 4.602 -3.496 0.690) 5.820 13.688 ( -0.434 -2.864 -2.149) 3.607 13.939 ( -4.403 10.786 -10.165) 15.461 15.524 ( -4.101 -5.245 1.732) 6.879 16.002 ( 0.690 -8.626 -1.225) 8.740 16.303 ( 4.152 4.843 -2.785) 6.961 16.589 ( 5.851 9.322 -8.204) 13.727 17.498 ( -3.376 -5.823 15.307) 16.722 17.778 ( 2.229 -0.938 4.554) 5.156 24.923 ( 3.448 1.151 2.610) 4.475 25.094 ( 0.243 0.602 -1.986) 2.090 26.115 ( 1.311 1.530 0.938) 2.222 26.325 ( -0.635 1.283 -2.259) 2.675 26.580 ( -0.873 4.640 4.453) 6.490 26.895 ( 4.178 -1.698 -2.172) 5.006 27.923 ( 2.360 -4.040 8.249) 9.484 28.707 ( -4.531 0.695 -9.246) 10.320 ======================= Grid point 16 (11/215) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 28.082 3.958 7.115) 29.239 2.398 ( 14.999 18.495 15.695) 28.520 2.898 ( -15.537 -3.292 -0.343) 15.885 3.350 ( -12.927 -7.507 -5.530) 15.939 3.721 ( -15.461 9.243 -4.546) 18.578 4.187 ( 9.410 4.564 21.261) 23.694 4.320 ( 22.221 9.791 19.945) 31.424 4.460 ( -13.958 1.045 3.835) 14.513 4.730 ( -3.472 0.059 6.909) 7.733 4.989 ( 1.769 -1.867 -1.280) 2.872 5.378 ( -20.234 -6.054 5.204) 21.752 5.735 ( -1.858 -5.708 8.988) 10.808 5.921 ( -7.988 -4.844 -3.581) 10.004 6.301 ( 0.774 0.495 -7.988) 8.041 6.496 ( 1.657 4.810 -6.278) 8.081 6.625 ( -5.089 2.741 -4.081) 7.075 7.089 ( 4.193 -2.928 -0.635) 5.153 7.248 ( 4.429 -9.386 2.368) 10.645 7.462 ( 4.991 -1.808 -0.048) 5.309 7.580 ( 0.418 0.636 2.391) 2.509 8.129 ( 7.008 -0.679 -12.387) 14.248 8.333 ( 7.176 6.364 -12.821) 16.011 8.749 ( -12.937 -2.885 6.847) 14.918 9.619 ( -6.642 -5.567 -0.224) 8.669 10.000 ( -6.070 -4.222 -12.172) 14.242 10.428 ( 3.280 2.715 1.234) 4.433 10.905 ( 5.786 -5.554 3.613) 8.796 11.261 ( 0.342 0.267 4.025) 4.049 11.657 ( -3.705 3.179 2.000) 5.276 11.830 ( 0.741 9.052 -3.294) 9.661 12.753 ( 0.996 2.973 -2.615) 4.083 13.325 ( -4.834 -5.709 -5.062) 9.032 13.654 ( 0.274 -1.098 -0.357) 1.187 13.849 ( 2.683 7.931 -3.712) 9.159 15.544 ( 1.550 -6.989 4.147) 8.273 16.008 ( 1.768 -10.984 -0.841) 11.157 16.348 ( 4.667 7.184 -1.571) 8.709 16.613 ( 8.700 6.753 -6.532) 12.804 17.553 ( -5.757 -0.785 7.128) 9.196 17.860 ( -0.115 -1.256 5.241) 5.391 25.009 ( 3.493 0.353 1.866) 3.976 25.068 ( -0.114 1.118 -2.132) 2.410 26.146 ( 1.507 2.766 0.519) 3.193 26.281 ( -0.487 3.643 -3.188) 4.865 26.630 ( -0.691 3.089 5.695) 6.516 26.928 ( 2.911 0.219 -2.282) 3.705 28.051 ( 2.129 -2.816 7.817) 8.577 28.534 ( -3.899 -2.621 -8.969) 10.125 ======================= Grid point 17 (12/215) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -3.456 3.077 4.551) 6.490 2.442 ( -1.337 7.904 0.854) 8.062 2.949 ( 1.832 2.314 7.678) 8.226 3.125 ( -0.693 -4.893 -9.777) 10.955 3.554 ( 0.957 6.558 3.320) 7.413 4.053 ( -15.035 12.636 -2.134) 19.755 4.332 ( -2.197 0.652 7.420) 7.766 4.772 ( -1.642 -8.600 3.260) 9.343 4.912 ( -10.066 -1.748 2.600) 10.542 5.089 ( -12.388 -1.648 0.225) 12.499 5.341 ( 23.815 11.160 27.393) 37.975 5.791 ( -4.234 -4.972 1.050) 6.614 5.894 ( 3.872 0.791 14.766) 15.285 6.149 ( -0.156 3.834 -11.642) 12.258 6.437 ( -0.117 -0.540 -3.862) 3.902 6.607 ( 2.342 1.868 2.780) 4.087 7.122 ( 1.524 -8.075 -2.176) 8.501 7.304 ( -1.226 -7.117 2.475) 7.634 7.470 ( 1.729 0.448 -4.609) 4.942 7.697 ( 6.412 -3.001 4.787) 8.546 8.106 ( 8.099 -1.231 -11.458) 14.085 8.301 ( 10.907 4.903 -16.065) 20.027 8.647 ( -15.459 -3.154 13.611) 20.837 9.349 ( -19.351 -6.933 -9.313) 22.566 9.862 ( 1.956 -0.685 -5.532) 5.907 10.501 ( 2.990 2.557 1.726) 4.296 11.030 ( 4.666 -7.799 2.478) 9.420 11.314 ( 0.263 -0.281 3.740) 3.760 11.620 ( -3.146 4.464 1.933) 5.793 11.810 ( 0.323 9.056 -1.579) 9.198 12.717 ( -0.372 4.859 -3.950) 6.273 13.130 ( -7.973 -3.714 -6.611) 11.003 13.665 ( 0.559 -0.820 -0.308) 1.039 13.889 ( 4.588 5.565 -1.128) 7.300 15.635 ( 2.912 -11.299 3.598) 12.210 16.042 ( 2.417 -10.337 0.890) 10.653 16.410 ( 4.980 8.539 -0.631) 9.905 16.710 ( 11.670 4.955 -4.801) 13.557 17.505 ( -7.655 1.348 3.387) 8.479 17.885 ( -3.417 -0.357 3.720) 5.064 25.010 ( -0.921 0.968 -2.784) 3.088 25.102 ( 2.984 0.652 1.787) 3.539 26.173 ( 1.353 4.086 -0.031) 4.304 26.245 ( 0.022 5.873 -1.910) 6.176 26.685 ( -0.449 1.495 4.851) 5.096 26.928 ( 0.539 1.681 -2.113) 2.753 28.176 ( 2.885 -3.367 6.226) 7.643 28.376 ( -3.265 -3.731 -7.692) 9.151 ======================= Grid point 18 (13/215) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -11.056 8.741 0.660) 14.109 2.454 ( -5.428 2.435 0.793) 6.002 2.881 ( 0.342 -2.024 -5.014) 5.418 3.161 ( 1.316 5.458 -3.304) 6.515 3.720 ( 6.679 4.778 9.484) 12.546 3.954 ( -0.171 6.546 5.457) 8.524 4.402 ( -0.598 -1.715 3.296) 3.764 4.675 ( -8.288 2.802 1.736) 8.919 4.720 ( -6.558 -5.571 -3.555) 9.310 5.012 ( -2.662 -2.050 0.034) 3.360 5.584 ( -3.496 9.240 -1.249) 9.958 5.726 ( -2.934 6.995 -3.560) 8.380 6.046 ( -0.989 -2.118 2.498) 3.421 6.345 ( 13.006 -1.912 8.445) 15.624 6.552 ( 8.719 -1.341 13.563) 16.180 6.704 ( 5.529 -1.570 5.086) 7.674 7.080 ( -3.741 -9.983 -2.329) 10.913 7.292 ( -1.708 -4.215 2.721) 5.300 7.462 ( 3.755 -2.065 -2.880) 5.163 7.830 ( 4.790 0.964 1.496) 5.110 8.113 ( 7.638 -2.355 -8.664) 11.788 8.312 ( 14.389 4.150 -15.674) 21.679 8.567 ( -16.338 -5.539 14.567) 22.579 8.887 ( -20.970 -3.768 -10.493) 23.750 9.862 ( 2.003 -0.903 -1.427) 2.620 10.554 ( 1.528 2.622 1.005) 3.197 11.101 ( 1.877 -10.241 1.036) 10.463 11.346 ( -0.228 0.015 1.325) 1.344 11.616 ( -0.747 3.112 2.401) 4.001 11.801 ( 0.285 10.407 -0.824) 10.443 12.659 ( -1.088 5.796 -3.149) 6.685 12.969 ( -3.985 -1.463 -3.832) 5.719 13.665 ( 0.034 -0.960 -0.273) 0.999 13.937 ( 2.601 4.883 -0.713) 5.579 15.700 ( 1.413 -15.738 1.466) 15.869 16.091 ( 1.543 -8.041 1.326) 8.294 16.489 ( 4.480 8.773 0.578) 9.867 16.841 ( 9.822 3.315 -3.157) 10.837 17.411 ( -7.218 2.554 1.730) 7.849 17.855 ( -3.643 0.594 1.609) 4.027 24.964 ( -0.994 1.853 -1.927) 2.852 25.158 ( 1.779 0.267 1.008) 2.062 26.183 ( 0.545 5.394 -0.641) 5.459 26.239 ( 0.536 7.433 -0.175) 7.455 26.725 ( -0.222 0.308 2.619) 2.647 26.904 ( -0.615 2.101 -1.214) 2.504 28.242 ( -0.898 -4.842 -3.226) 5.887 28.295 ( 1.232 -3.081 2.137) 3.947 ======================= Grid point 19 (14/215) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 0.000 11.108 0.000) 11.108 2.395 ( 0.000 -1.834 0.000) 1.834 2.870 ( 0.000 6.555 -0.000) 6.555 3.110 ( 0.000 5.140 0.000) 5.140 3.898 ( 0.000 1.723 0.000) 1.723 3.984 ( 0.000 -0.351 0.000) 0.351 4.392 ( 0.000 -2.242 0.000) 2.242 4.614 ( 0.000 -0.370 0.000) 0.370 4.671 ( -0.000 3.428 0.000) 3.428 4.986 ( 0.000 -3.649 0.000) 3.649 5.512 ( 0.000 11.810 0.000) 11.810 5.678 ( 0.000 10.547 0.000) 10.547 6.051 ( 0.000 -3.792 0.000) 3.792 6.475 ( 0.000 -4.533 0.000) 4.533 6.718 ( 0.000 -2.603 0.000) 2.603 6.843 ( -0.000 -6.187 -0.000) 6.187 6.999 ( 0.000 -6.327 0.000) 6.327 7.324 ( 0.000 -9.782 0.000) 9.782 7.510 ( 0.000 3.717 0.000) 3.717 7.876 ( 0.000 4.635 0.000) 4.635 8.131 ( 0.000 -4.088 0.000) 4.088 8.344 ( -0.000 4.590 0.000) 4.590 8.486 ( 0.000 -9.218 0.000) 9.218 8.620 ( 0.000 -1.198 0.000) 1.198 9.871 ( 0.000 -0.921 0.000) 0.921 10.572 ( 0.000 2.392 0.000) 2.392 11.121 ( 0.000 -11.005 0.000) 11.005 11.348 ( 0.000 0.704 0.000) 0.704 11.630 ( 0.000 1.199 0.000) 1.199 11.799 ( 0.000 11.577 0.000) 11.577 12.628 ( 0.000 5.950 0.000) 5.950 12.916 ( 0.000 -0.306 0.000) 0.306 13.663 ( 0.000 -1.188 0.000) 1.188 13.953 ( 0.000 4.904 0.000) 4.904 15.719 ( 0.000 -17.338 0.000) 17.338 16.112 ( 0.000 -7.000 0.000) 7.000 16.535 ( 0.000 8.835 0.000) 8.835 16.908 ( 0.000 2.016 0.000) 2.016 17.355 ( 0.000 3.365 0.000) 3.365 17.831 ( 0.000 0.969 0.000) 0.969 24.943 ( 0.000 2.238 0.000) 2.238 25.179 ( 0.000 0.171 0.000) 0.171 26.182 ( 0.000 6.030 0.000) 6.030 26.244 ( 0.000 7.965 0.000) 7.965 26.739 ( 0.000 -0.165 0.000) 0.165 26.891 ( 0.000 2.061 0.000) 2.061 28.204 ( 0.000 -4.364 0.000) 4.364 28.330 ( 0.000 -3.755 0.000) 3.755 ======================= Grid point 26 (15/215) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 31.680 0.000) 31.680 1.641 ( 0.000 37.009 0.000) 37.009 2.397 ( 0.000 35.718 0.000) 35.718 3.453 ( 0.000 -7.390 0.000) 7.390 3.707 ( 0.000 8.294 0.000) 8.294 4.050 ( 0.000 -2.277 0.000) 2.277 4.484 ( 0.000 -7.725 0.000) 7.725 4.703 ( 0.000 -13.384 0.000) 13.384 5.042 ( 0.000 0.148 0.000) 0.148 5.133 ( 0.000 3.184 0.000) 3.184 5.364 ( 0.000 -6.150 0.000) 6.150 5.844 ( 0.000 2.013 0.000) 2.013 6.021 ( 0.000 -9.313 0.000) 9.313 6.029 ( 0.000 -5.848 0.000) 5.848 6.569 ( 0.000 2.931 0.000) 2.931 6.733 ( 0.000 -9.368 0.000) 9.368 6.959 ( 0.000 0.238 0.000) 0.238 7.065 ( 0.000 -1.165 0.000) 1.165 7.567 ( 0.000 6.517 0.000) 6.517 7.631 ( 0.000 7.737 0.000) 7.737 8.205 ( 0.000 -1.496 0.000) 1.496 8.634 ( 0.000 -3.686 0.000) 3.686 9.002 ( 0.000 2.073 0.000) 2.073 9.587 ( 0.000 -4.903 0.000) 4.903 10.066 ( 0.000 8.840 0.000) 8.840 10.325 ( 0.000 -3.811 0.000) 3.811 11.091 ( 0.000 -4.082 0.000) 4.082 11.182 ( 0.000 -2.012 0.000) 2.012 11.492 ( 0.000 3.612 0.000) 3.612 12.198 ( 0.000 -1.232 0.000) 1.232 12.445 ( 0.000 8.677 0.000) 8.677 13.056 ( 0.000 -11.891 0.000) 11.891 13.653 ( 0.000 -1.090 0.000) 1.090 14.416 ( 0.000 -8.702 0.000) 8.702 15.551 ( 0.000 -13.093 0.000) 13.093 15.981 ( 0.000 0.135 0.000) 0.135 16.391 ( 0.000 7.193 0.000) 7.193 16.895 ( 0.000 11.209 0.000) 11.209 16.983 ( 0.000 4.035 0.000) 4.035 17.646 ( 0.000 -3.280 0.000) 3.280 24.879 ( 0.000 3.109 0.000) 3.109 25.128 ( 0.000 1.708 0.000) 1.708 26.129 ( 0.000 5.708 0.000) 5.708 26.372 ( 0.000 2.073 0.000) 2.073 26.541 ( 0.000 1.523 0.000) 1.523 26.835 ( 0.000 -2.446 0.000) 2.446 27.554 ( 0.000 -3.783 0.000) 3.783 29.052 ( 0.000 -2.844 0.000) 2.844 ======================= Grid point 27 (16/215) ======================= q-point: ( 0.08 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 13.632 25.164 5.571) 29.156 1.698 ( 14.896 32.827 -4.301) 36.305 2.803 ( 19.165 27.845 30.993) 45.861 3.483 ( -7.203 -3.673 3.609) 8.854 3.572 ( -3.298 -0.970 -4.815) 5.916 4.084 ( -7.001 -0.135 11.244) 13.247 4.343 ( -8.281 0.290 -5.032) 9.695 4.707 ( -0.016 -5.067 2.216) 5.531 4.995 ( -13.642 4.079 -4.744) 15.008 5.208 ( 4.936 -6.313 -0.262) 8.017 5.316 ( 5.189 -7.339 4.709) 10.147 5.645 ( -14.883 2.261 -4.681) 15.764 6.003 ( -2.564 -5.169 0.496) 5.791 6.217 ( 8.233 -6.439 4.395) 11.339 6.621 ( 3.090 -2.576 2.718) 4.855 6.722 ( -1.712 -7.161 2.732) 7.853 6.919 ( -1.797 -2.101 -3.525) 4.480 7.028 ( -1.469 -1.558 -3.952) 4.495 7.516 ( -4.200 8.712 -1.301) 9.759 7.663 ( 3.528 6.653 -0.518) 7.549 8.176 ( 0.910 -2.463 -5.024) 5.668 8.596 ( 2.086 -0.045 -8.399) 8.654 8.947 ( -6.943 -0.130 0.432) 6.958 9.593 ( -2.279 -5.842 3.898) 7.383 10.089 ( 2.686 7.511 -0.912) 8.029 10.411 ( 7.013 -2.362 3.317) 8.110 10.904 ( -12.710 -2.994 -9.591) 16.202 11.184 ( -0.307 -2.411 2.476) 3.469 11.561 ( 4.605 0.707 1.975) 5.060 12.124 ( -1.706 3.343 -5.403) 6.579 12.586 ( 9.357 3.694 4.104) 10.865 13.107 ( 4.580 -10.245 1.257) 11.292 13.652 ( 0.354 -1.579 -0.770) 1.792 14.302 ( -0.641 -2.546 -15.175) 15.400 15.496 ( -5.902 -8.031 1.075) 10.024 15.955 ( -3.825 -0.567 0.014) 3.867 16.378 ( 1.306 6.246 -2.120) 6.724 16.844 ( 2.224 10.183 -9.325) 13.985 17.155 ( 1.775 -0.786 20.020) 20.113 17.668 ( 1.172 -3.210 2.432) 4.194 24.900 ( 1.512 2.720 1.473) 3.443 25.124 ( 0.220 1.523 -0.928) 1.797 26.139 ( 1.461 4.562 -0.146) 4.792 26.366 ( -0.557 1.590 -0.022) 1.685 26.596 ( 4.997 1.843 0.516) 5.351 26.830 ( 1.807 -1.617 -2.144) 3.237 27.652 ( 4.607 -4.895 7.981) 10.435 28.940 ( -7.771 -0.889 -6.463) 10.147 ======================= Grid point 28 (17/215) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 25.872 21.352 -3.034) 33.682 2.107 ( 25.831 15.393 14.321) 33.305 3.191 ( -15.891 -7.954 -4.007) 18.216 3.375 ( -2.928 -4.168 3.527) 6.195 3.709 ( 14.009 17.168 27.020) 34.944 4.108 ( -4.094 -1.399 6.326) 7.664 4.243 ( -0.745 7.692 5.534) 9.505 4.594 ( -10.890 9.810 -9.379) 17.401 4.844 ( -3.449 0.324 12.369) 12.845 5.183 ( -10.845 1.636 2.150) 11.177 5.315 ( -14.618 -2.413 0.040) 14.815 5.556 ( 7.113 -6.099 5.810) 11.025 5.967 ( -4.927 -3.063 1.460) 5.983 6.246 ( -1.991 -5.772 -3.147) 6.869 6.695 ( -1.593 -4.536 4.171) 6.364 6.745 ( -0.155 3.396 -2.663) 4.318 6.865 ( 1.408 -14.325 -1.488) 14.471 6.958 ( 1.480 -4.772 -4.071) 6.445 7.455 ( 0.315 7.879 -2.528) 8.281 7.688 ( 0.206 5.793 -1.228) 5.926 8.135 ( 3.528 -2.975 -7.604) 8.895 8.525 ( 4.715 4.349 -12.040) 13.641 8.812 ( -11.367 -3.539 2.236) 12.113 9.598 ( -3.534 -4.222 3.773) 6.675 10.088 ( -0.859 2.234 -4.405) 5.013 10.500 ( -1.405 1.738 -5.534) 5.968 10.679 ( 1.984 -6.787 -0.439) 7.085 11.220 ( -1.177 -1.147 5.105) 5.363 11.644 ( 2.922 -1.410 1.324) 3.504 12.049 ( -1.611 6.120 -2.748) 6.900 12.745 ( 6.175 1.144 0.627) 6.312 13.198 ( 5.661 -7.908 -1.177) 9.796 13.644 ( -0.251 -1.675 -0.455) 1.753 14.114 ( 1.871 4.962 -16.113) 16.963 15.439 ( -4.589 -2.654 4.018) 6.651 15.870 ( -4.451 -3.971 -1.861) 6.248 16.407 ( 4.352 5.669 -0.458) 7.161 16.767 ( 1.527 7.371 -7.692) 10.762 17.405 ( 1.380 -2.857 15.242) 15.569 17.737 ( 2.277 -2.980 4.124) 5.575 24.956 ( 2.669 1.872 2.134) 3.896 25.112 ( 0.104 1.316 -1.535) 2.025 26.171 ( 2.613 3.776 0.092) 4.593 26.357 ( 0.670 1.590 -1.634) 2.376 26.669 ( 2.214 3.724 1.596) 4.617 26.864 ( 4.653 -1.132 -0.838) 4.862 27.830 ( 4.202 -4.768 8.711) 10.783 28.709 ( -8.784 -0.585 -8.816) 12.459 ======================= Grid point 29 (18/215) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 21.683 13.668 1.819) 25.695 2.635 ( 13.930 2.309 8.830) 16.654 2.908 ( -10.128 4.728 0.249) 11.180 3.188 ( -2.322 -4.882 -9.611) 11.027 3.841 ( -16.595 3.625 -9.974) 19.698 4.236 ( 3.835 -6.138 21.051) 22.261 4.402 ( 1.669 -0.208 -8.144) 8.316 4.650 ( 4.530 17.306 25.003) 30.744 4.906 ( -4.888 11.813 7.830) 14.991 5.053 ( 4.773 14.331 9.605) 17.900 5.194 ( -16.514 -9.317 12.315) 22.609 5.655 ( -5.192 -1.205 7.253) 9.001 5.858 ( -5.429 -2.298 1.690) 6.133 6.241 ( 3.272 -4.271 -1.171) 5.506 6.588 ( -2.219 -0.256 -10.892) 11.119 6.660 ( -4.380 0.487 -5.638) 7.156 6.898 ( 1.570 -12.053 2.244) 12.360 7.021 ( 3.694 -11.342 2.783) 12.249 7.470 ( 4.146 2.161 -2.173) 5.156 7.646 ( -1.726 4.373 -1.872) 5.060 8.105 ( 4.898 -1.911 -8.780) 10.234 8.450 ( 4.938 3.344 -14.294) 15.489 8.680 ( -10.889 -2.207 6.797) 13.025 9.526 ( -9.378 -3.283 -1.648) 10.072 9.943 ( -3.726 -1.157 -8.658) 9.496 10.447 ( 2.200 -0.801 -0.406) 2.376 10.793 ( 6.075 -5.579 1.865) 8.456 11.261 ( -1.885 -1.119 5.630) 6.042 11.678 ( 0.290 -0.543 0.353) 0.709 12.010 ( -0.619 7.840 -0.828) 7.908 12.799 ( 1.592 0.659 -0.739) 1.875 13.200 ( -0.770 -5.628 -6.153) 8.375 13.660 ( 2.886 1.324 0.306) 3.190 14.001 ( 4.285 6.385 -10.979) 13.404 15.431 ( -2.327 -3.377 2.322) 4.712 15.812 ( -0.852 -7.225 0.692) 7.308 16.490 ( 5.506 6.542 0.266) 8.555 16.734 ( 5.538 4.817 -6.197) 9.606 17.531 ( -2.290 -1.311 7.250) 7.715 17.823 ( 0.308 -2.317 6.044) 6.480 25.024 ( 2.730 1.038 1.336) 3.212 25.094 ( 0.044 1.501 -1.119) 1.872 26.223 ( 3.538 4.508 0.273) 5.737 26.352 ( 1.853 3.049 -2.190) 4.186 26.710 ( -0.298 4.512 3.187) 5.532 26.933 ( 3.880 0.207 -0.017) 3.886 27.980 ( 3.010 -3.891 7.051) 8.597 28.475 ( -6.780 -2.892 -9.402) 11.947 ======================= Grid point 30 (19/215) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -6.226 0.234 4.877) 7.912 2.669 ( 1.302 9.301 -2.592) 9.743 2.952 ( 8.924 5.468 -6.554) 12.349 3.166 ( 1.741 3.910 -2.721) 5.072 3.629 ( 2.330 2.697 2.573) 4.396 4.250 ( -13.077 2.550 1.011) 13.362 4.415 ( 2.364 4.738 -0.122) 5.297 4.701 ( -5.549 5.170 6.424) 9.939 4.917 ( -9.230 1.796 2.763) 9.800 5.042 ( -12.867 -0.417 9.766) 16.159 5.523 ( 4.687 -2.836 14.448) 15.451 5.744 ( 12.490 11.788 15.814) 23.346 5.949 ( 1.516 1.802 15.811) 15.986 6.214 ( 0.799 3.546 -6.987) 7.876 6.435 ( -0.299 -2.107 -10.901) 11.107 6.560 ( -0.761 -7.009 -1.044) 7.127 6.923 ( -0.736 -10.996 -0.590) 11.036 7.100 ( 1.101 -8.981 4.640) 10.169 7.448 ( -3.089 -3.230 -2.535) 5.138 7.681 ( 6.383 0.948 1.279) 6.578 8.080 ( 5.250 -1.626 -8.709) 10.299 8.353 ( 4.371 -1.497 -12.951) 13.751 8.623 ( -8.023 3.133 7.216) 11.236 9.244 ( -15.877 -2.611 -9.750) 18.814 9.855 ( 0.613 -0.098 -2.897) 2.963 10.507 ( 2.567 -2.161 2.284) 4.059 10.881 ( 3.139 -7.161 0.657) 7.846 11.291 ( -1.973 -2.878 4.408) 5.622 11.670 ( -1.016 1.223 -0.333) 1.625 12.007 ( 0.671 9.283 0.162) 9.309 12.798 ( -0.013 1.253 -1.325) 1.824 13.073 ( -3.917 -0.565 -6.108) 7.278 13.703 ( 2.415 4.478 -2.086) 5.499 13.987 ( 5.543 3.835 -4.786) 8.266 15.400 ( -2.008 -10.968 -1.428) 11.241 15.858 ( 2.197 -6.734 3.739) 8.009 16.573 ( 5.152 7.086 -0.096) 8.761 16.803 ( 9.540 4.160 -3.459) 10.967 17.525 ( -4.848 0.179 2.203) 5.328 17.871 ( -3.011 -0.960 5.393) 6.250 25.039 ( -0.123 1.782 -1.757) 2.506 25.119 ( 2.156 0.892 1.581) 2.818 26.284 ( 3.741 6.295 -0.058) 7.323 26.368 ( 2.569 5.569 -0.985) 6.212 26.736 ( -1.330 3.551 3.259) 5.000 26.969 ( 0.334 2.016 0.198) 2.053 28.094 ( 2.602 -4.231 4.602) 6.771 28.283 ( -3.882 -4.906 -7.959) 10.124 ======================= Grid point 31 (20/215) ======================= q-point: ( 0.42 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -4.160 4.209 3.140) 6.699 2.556 ( -8.675 8.468 -3.799) 12.704 2.991 ( 7.526 12.602 -4.090) 15.238 3.254 ( 7.596 4.504 -2.991) 9.324 3.764 ( 2.647 -1.180 6.647) 7.251 4.049 ( -12.375 2.055 2.738) 12.840 4.408 ( 3.041 1.482 -5.077) 6.101 4.699 ( -13.646 5.207 10.589) 18.040 4.796 ( 6.255 5.622 -5.698) 10.159 4.998 ( -6.623 4.855 4.373) 9.303 5.674 ( 1.580 -5.465 9.896) 11.415 5.911 ( -2.063 13.062 -2.139) 13.396 6.030 ( -2.811 1.397 -1.600) 3.523 6.287 ( 3.716 -4.268 1.558) 5.870 6.507 ( 6.600 -7.285 5.986) 11.510 6.619 ( 7.728 -3.994 8.669) 12.281 6.858 ( -3.566 -10.876 -3.073) 11.851 7.140 ( -0.852 -7.118 0.074) 7.169 7.439 ( 2.818 -2.356 6.314) 7.305 7.787 ( 2.884 -4.458 1.490) 5.515 8.071 ( 5.344 -3.004 -6.713) 9.091 8.297 ( 4.258 -4.872 -8.605) 10.766 8.578 ( -4.677 8.509 2.229) 9.962 8.859 ( -16.381 1.196 -9.055) 18.755 9.856 ( 0.972 0.130 -0.156) 0.993 10.560 ( 0.813 -2.712 1.792) 3.351 10.917 ( 1.172 -8.338 0.025) 8.420 11.306 ( -1.072 -4.766 2.377) 5.432 11.645 ( -1.170 1.465 -0.649) 1.984 12.028 ( 1.049 10.361 0.560) 10.429 12.772 ( -0.705 2.925 -1.594) 3.405 12.976 ( -1.518 3.923 -2.601) 4.945 13.689 ( 0.155 3.788 -2.474) 4.527 14.034 ( 4.035 4.215 -1.453) 6.013 15.352 ( -1.256 -17.430 -1.668) 17.555 15.932 ( 1.635 -7.053 2.548) 7.676 16.659 ( 4.892 7.838 0.656) 9.262 16.911 ( 7.050 3.770 -1.947) 8.228 17.458 ( -4.481 1.345 0.316) 4.689 17.864 ( -3.606 0.184 2.908) 4.636 25.013 ( -0.454 2.862 -1.232) 3.148 25.166 ( 1.479 0.432 0.993) 1.833 26.330 ( 2.385 8.343 -0.555) 8.695 26.407 ( 2.389 8.377 0.476) 8.725 26.745 ( -1.172 1.825 1.720) 2.768 26.955 ( -1.780 2.604 0.191) 3.160 28.126 ( -0.623 -6.035 -3.449) 6.979 28.211 ( 0.985 -4.775 1.071) 4.992 ======================= Grid point 32 (21/215) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 8.249 0.000) 8.249 2.446 ( 0.000 9.750 0.000) 9.750 3.055 ( 0.000 11.602 0.000) 11.602 3.253 ( 0.000 9.063 0.000) 9.063 3.881 ( 0.000 -7.726 0.000) 7.726 3.925 ( -0.000 -0.662 -0.000) 0.662 4.424 ( 0.000 3.770 0.000) 3.770 4.601 ( 0.000 3.397 0.000) 3.397 4.881 ( 0.000 8.065 -0.000) 8.065 4.943 ( -0.000 5.900 0.000) 5.900 5.763 ( -0.000 2.669 -0.000) 2.669 5.850 ( 0.000 10.753 0.000) 10.753 5.980 ( -0.000 -0.665 0.000) 0.665 6.342 ( 0.000 -7.936 0.000) 7.936 6.582 ( -0.000 -12.569 -0.000) 12.569 6.710 ( 0.000 -5.890 0.000) 5.890 6.854 ( 0.000 -7.509 -0.000) 7.509 7.118 ( 0.000 -8.407 0.000) 8.407 7.589 ( 0.000 2.327 -0.000) 2.327 7.790 ( 0.000 -11.269 0.000) 11.269 8.083 ( 0.000 -4.409 0.000) 4.409 8.267 ( -0.000 -2.459 0.000) 2.459 8.553 ( 0.000 10.324 -0.000) 10.324 8.638 ( -0.000 3.834 0.000) 3.834 9.865 ( 0.000 0.170 -0.000) 0.170 10.576 ( 0.000 -2.935 0.000) 2.935 10.925 ( -0.000 -8.655 0.000) 8.655 11.313 ( 0.000 -5.354 0.000) 5.354 11.629 ( 0.000 1.118 0.000) 1.118 12.041 ( 0.000 10.632 0.000) 10.632 12.754 ( 0.000 4.104 0.000) 4.104 12.952 ( 0.000 5.582 0.000) 5.582 13.672 ( 0.000 2.623 0.000) 2.623 14.059 ( 0.000 5.135 0.000) 5.135 15.331 ( 0.000 -19.769 0.000) 19.769 15.960 ( 0.000 -7.466 0.000) 7.466 16.710 ( 0.000 8.545 0.000) 8.545 16.956 ( -0.000 2.964 0.000) 2.964 17.420 ( 0.000 2.067 0.000) 2.067 17.848 ( 0.000 0.571 0.000) 0.571 25.001 ( 0.000 3.320 0.000) 3.320 25.184 ( 0.000 0.319 0.000) 0.319 26.345 ( 0.000 9.295 0.000) 9.295 26.433 ( 0.000 9.924 0.000) 9.924 26.745 ( 0.000 0.819 0.000) 0.819 26.938 ( 0.000 2.343 0.000) 2.343 28.092 ( 0.000 -6.159 0.000) 6.159 28.235 ( 0.000 -5.130 0.000) 5.130 ======================= Grid point 39 (22/215) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.000 28.659 0.000) 28.659 2.283 ( 0.000 24.891 0.000) 24.891 2.558 ( 0.000 -11.485 0.000) 11.485 3.482 ( 0.000 4.244 0.000) 4.244 3.594 ( 0.000 -20.480 0.000) 20.480 3.983 ( 0.000 1.799 0.000) 1.799 4.289 ( 0.000 -9.244 0.000) 9.244 4.700 ( 0.000 12.261 0.000) 12.261 5.071 ( 0.000 1.540 0.000) 1.540 5.259 ( 0.000 -4.570 0.000) 4.570 5.476 ( 0.000 14.132 0.000) 14.132 5.800 ( 0.000 -0.753 0.000) 0.753 5.853 ( 0.000 2.835 0.000) 2.835 6.041 ( 0.000 4.162 0.000) 4.162 6.460 ( 0.000 -15.091 0.000) 15.091 6.637 ( 0.000 3.669 0.000) 3.669 6.960 ( 0.000 0.353 0.000) 0.353 7.113 ( 0.000 5.474 0.000) 5.474 7.645 ( 0.000 -0.160 0.000) 0.160 7.739 ( 0.000 1.983 0.000) 1.983 8.154 ( 0.000 -3.532 0.000) 3.532 8.413 ( 0.000 -17.941 0.000) 17.941 9.066 ( 0.000 4.915 0.000) 4.915 9.562 ( 0.000 1.294 0.000) 1.294 10.194 ( 0.000 -2.556 0.000) 2.556 10.275 ( 0.000 5.173 0.000) 5.173 10.994 ( 0.000 -4.617 0.000) 4.617 11.117 ( 0.000 -3.964 0.000) 3.964 11.578 ( 0.000 4.361 0.000) 4.361 12.166 ( 0.000 -1.773 0.000) 1.773 12.575 ( 0.000 2.440 0.000) 2.440 12.892 ( 0.000 -2.844 0.000) 2.844 13.629 ( 0.000 -1.102 0.000) 1.102 14.248 ( 0.000 -7.344 0.000) 7.344 15.336 ( 0.000 -8.134 0.000) 8.134 15.987 ( 0.000 0.389 0.000) 0.389 16.517 ( 0.000 4.993 0.000) 4.993 17.050 ( 0.000 2.455 0.000) 2.455 17.101 ( 0.000 9.466 0.000) 9.466 17.565 ( 0.000 -4.818 0.000) 4.818 24.927 ( 0.000 1.576 0.000) 1.576 25.175 ( 0.000 2.696 0.000) 2.696 26.235 ( 0.000 4.452 0.000) 4.452 26.418 ( 0.000 2.324 0.000) 2.324 26.578 ( 0.000 2.093 0.000) 2.093 26.781 ( 0.000 -2.831 0.000) 2.831 27.479 ( 0.000 -3.368 0.000) 3.368 28.995 ( 0.000 -2.614 0.000) 2.614 ======================= Grid point 40 (23/215) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 3.012 21.833 1.219) 22.074 2.293 ( 9.874 23.373 -6.397) 26.167 2.806 ( 8.352 -13.683 16.619) 23.091 3.327 ( -16.428 -16.852 -6.166) 24.329 3.666 ( 10.754 6.498 12.704) 17.868 4.069 ( 1.774 -0.184 -0.861) 1.980 4.306 ( -1.040 -2.333 3.622) 4.432 4.776 ( 0.858 11.135 10.351) 15.227 5.009 ( -11.452 -4.677 -5.800) 13.662 5.182 ( 4.820 -0.648 1.524) 5.097 5.500 ( -3.029 19.778 5.886) 20.856 5.682 ( -14.002 3.005 -1.554) 14.405 5.887 ( 2.883 -3.336 -0.433) 4.431 6.107 ( 5.278 -1.040 1.526) 5.592 6.466 ( -2.137 -11.605 3.792) 12.394 6.628 ( -1.391 0.597 1.652) 2.241 6.894 ( -2.151 -0.405 -6.948) 7.285 7.094 ( -0.720 6.782 -2.841) 7.388 7.623 ( -2.747 0.264 -1.162) 2.994 7.766 ( 2.946 2.704 0.135) 4.001 8.104 ( -1.032 -4.904 -4.773) 6.920 8.419 ( -1.192 -15.953 2.150) 16.142 9.022 ( -2.601 7.425 -4.908) 9.273 9.514 ( -5.001 -2.728 2.302) 6.145 10.253 ( 0.489 6.922 -0.441) 6.953 10.330 ( 9.141 -4.269 2.426) 10.377 10.852 ( -11.968 -1.780 -9.792) 15.565 11.092 ( -0.787 -6.192 2.915) 6.889 11.600 ( 1.656 2.842 0.622) 3.348 12.154 ( -0.668 0.254 -0.696) 0.997 12.646 ( 6.930 0.508 0.170) 6.951 12.961 ( 8.825 -2.909 -1.682) 9.443 13.622 ( -1.012 -1.230 0.368) 1.635 14.210 ( 4.187 -5.172 -11.096) 12.939 15.358 ( -2.077 -5.146 6.709) 8.707 15.950 ( -5.084 -0.207 -0.153) 5.090 16.509 ( 1.352 6.008 -2.143) 6.521 16.991 ( -1.094 4.162 -7.584) 8.720 17.199 ( 1.957 4.867 11.817) 12.929 17.587 ( 1.470 -4.897 2.123) 5.537 24.942 ( 1.208 1.379 0.993) 2.085 25.168 ( -0.238 2.526 -0.903) 2.693 26.233 ( 1.306 4.327 -1.558) 4.781 26.396 ( -0.649 1.147 -1.560) 2.042 26.631 ( 5.264 1.648 0.380) 5.529 26.800 ( 3.171 -1.341 -1.116) 3.619 27.565 ( 3.852 -3.564 8.004) 9.570 28.907 ( -6.921 -1.872 -4.805) 8.631 ======================= Grid point 41 (24/215) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 16.788 13.080 3.336) 21.542 2.460 ( 12.896 14.922 2.177) 19.843 2.899 ( -9.367 -12.035 0.473) 15.258 3.240 ( 6.166 -13.390 4.862) 15.522 3.867 ( -7.125 6.098 6.327) 11.313 4.125 ( 7.176 1.248 2.966) 7.865 4.353 ( 2.860 1.132 3.549) 4.697 4.661 ( -8.743 -5.016 -2.662) 10.425 5.025 ( -3.960 12.012 16.825) 21.049 5.324 ( -1.394 5.612 4.584) 7.379 5.424 ( -7.347 7.147 3.290) 10.764 5.523 ( -7.722 10.600 11.211) 17.253 5.914 ( -1.368 -1.749 1.466) 2.661 6.129 ( 0.407 -2.496 -3.858) 4.613 6.522 ( 1.398 -9.038 6.679) 11.325 6.623 ( -2.656 -5.713 0.081) 6.300 6.758 ( -2.007 -1.374 -8.703) 9.037 7.032 ( -0.224 8.907 -4.913) 10.175 7.547 ( -3.685 -0.182 -1.842) 4.124 7.780 ( 0.418 2.162 -3.686) 4.293 8.060 ( 2.106 -4.353 -3.474) 5.954 8.417 ( -1.929 -13.207 0.974) 13.383 8.876 ( -5.348 9.239 -6.874) 12.697 9.503 ( -3.292 -5.386 5.668) 8.484 10.182 ( -5.094 5.366 -8.295) 11.115 10.471 ( -0.639 -3.944 -1.821) 4.391 10.586 ( 2.698 -2.055 -5.317) 6.307 11.138 ( -1.854 -6.773 6.735) 9.730 11.636 ( 2.349 0.933 -0.015) 2.528 12.139 ( -0.880 3.262 0.657) 3.442 12.740 ( 3.783 -2.032 0.132) 4.296 13.082 ( 11.120 -2.902 -6.367) 13.139 13.620 ( -0.071 -0.728 1.797) 1.940 14.142 ( 7.897 -1.055 -15.726) 17.630 15.426 ( -2.132 1.260 9.045) 9.378 15.820 ( -8.073 -1.839 -2.796) 8.739 16.534 ( 4.060 6.713 -0.374) 7.854 16.866 ( -1.967 2.353 -7.616) 8.210 17.386 ( 2.874 0.813 10.781) 11.187 17.663 ( 2.795 -4.188 4.753) 6.924 24.986 ( 2.171 0.969 1.671) 2.906 25.149 ( -0.407 2.087 -1.359) 2.523 26.252 ( 3.367 3.907 -1.230) 5.302 26.379 ( 1.684 0.505 -2.343) 2.929 26.726 ( 4.809 2.003 1.305) 5.371 26.852 ( 4.325 -0.183 -0.061) 4.330 27.745 ( 4.877 -3.377 8.976) 10.759 28.690 ( -10.078 -1.110 -7.979) 12.902 ======================= Grid point 42 (25/215) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 2.048 2.907 4.562) 5.784 2.629 ( 12.863 1.428 -4.027) 13.554 2.942 ( 4.647 1.338 11.827) 12.777 3.276 ( 3.581 8.196 -8.046) 12.031 3.849 ( -5.030 -3.507 -2.286) 6.544 4.121 ( -1.202 -1.782 4.349) 4.852 4.369 ( 4.758 -0.259 -3.011) 5.637 4.817 ( 3.963 -5.275 15.386) 16.741 5.021 ( -11.211 5.407 4.818) 13.346 5.194 ( -14.879 10.263 9.956) 20.636 5.447 ( -11.782 5.799 11.873) 17.703 5.712 ( 6.778 7.490 19.704) 22.142 5.871 ( -1.857 7.122 0.718) 7.395 6.146 ( 6.268 -3.506 -2.387) 7.568 6.501 ( -3.248 -4.746 -10.216) 11.723 6.565 ( -3.546 -6.328 -3.607) 8.102 6.691 ( 0.065 -6.636 2.902) 7.243 7.012 ( 1.247 8.785 1.125) 8.944 7.470 ( -3.431 -3.110 -2.606) 5.314 7.715 ( -0.569 1.608 -4.690) 4.990 8.064 ( 3.391 -1.941 -4.447) 5.919 8.358 ( -4.373 -10.933 -2.933) 12.135 8.758 ( -1.830 8.381 -1.607) 8.727 9.471 ( -8.158 -2.824 0.177) 8.635 9.940 ( -5.100 0.223 -10.666) 11.825 10.426 ( 0.825 -0.311 -0.889) 1.252 10.678 ( 5.860 -5.910 -0.370) 8.331 11.173 ( -3.666 -7.428 6.235) 10.368 11.671 ( 2.327 0.406 -0.381) 2.393 12.146 ( -0.318 5.740 1.994) 6.085 12.768 ( -0.341 -3.034 0.893) 3.181 13.128 ( 6.042 -1.706 -8.779) 10.792 13.688 ( 5.313 1.024 2.548) 5.981 14.087 ( 8.124 2.198 -15.142) 17.324 15.418 ( -7.134 1.812 -1.884) 7.597 15.724 ( -2.445 -2.227 4.458) 5.551 16.611 ( 4.486 5.516 0.443) 7.124 16.798 ( 4.697 1.489 -5.367) 7.286 17.504 ( -0.349 -1.292 5.145) 5.317 17.772 ( 1.049 -2.583 7.365) 7.876 25.044 ( 2.464 0.798 1.521) 3.003 25.127 ( -0.289 1.650 -0.996) 1.948 26.311 ( 5.239 3.975 -0.365) 6.587 26.397 ( 3.781 1.379 -1.880) 4.443 26.796 ( 1.129 3.787 2.370) 4.608 26.931 ( 4.162 -0.541 1.403) 4.426 27.909 ( 4.050 -2.781 6.511) 8.157 28.427 ( -9.226 -1.729 -9.515) 13.366 ======================= Grid point 43 (26/215) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -4.673 0.652 4.290) 6.377 2.772 ( 4.167 3.412 -2.576) 5.970 3.132 ( 10.887 4.471 3.294) 12.222 3.294 ( 3.717 12.615 -4.099) 13.775 3.717 ( 2.171 5.938 -3.275) 7.120 4.204 ( -1.581 -5.292 -0.857) 5.589 4.457 ( 2.017 1.275 5.122) 5.651 4.854 ( -11.666 5.909 5.550) 14.206 4.892 ( -8.037 -0.363 5.466) 9.726 5.167 ( -5.583 6.282 10.611) 13.536 5.403 ( -7.950 -5.911 9.703) 13.867 5.934 ( 1.284 0.700 8.236) 8.365 6.063 ( 10.093 6.474 8.318) 14.594 6.219 ( 7.976 -6.936 -4.409) 11.453 6.359 ( -3.441 0.605 -1.257) 3.713 6.402 ( -4.013 -2.174 -7.414) 8.706 6.722 ( -2.033 -7.812 2.160) 8.356 7.089 ( 0.120 7.504 7.379) 10.525 7.362 ( -4.758 -4.249 -1.961) 6.674 7.692 ( 2.111 -0.054 -1.569) 2.631 8.041 ( 1.692 -2.020 -7.030) 7.507 8.250 ( -2.181 -8.071 -3.445) 9.042 8.768 ( 1.642 9.609 1.670) 9.890 9.232 ( -12.147 0.565 -10.209) 15.877 9.840 ( -0.250 -1.963 -1.584) 2.535 10.446 ( 0.797 -2.547 1.080) 2.879 10.735 ( 2.349 -7.552 -0.606) 7.931 11.173 ( -3.616 -8.131 3.854) 9.697 11.693 ( 1.045 1.163 -0.763) 1.739 12.172 ( 0.252 6.924 2.287) 7.296 12.772 ( -0.548 -2.017 1.494) 2.569 13.098 ( 2.393 1.664 -5.871) 6.555 13.805 ( 5.819 4.225 -0.632) 7.219 14.048 ( 6.969 2.552 -10.065) 12.505 15.222 ( -7.981 -6.251 -7.220) 12.445 15.781 ( -0.220 -1.407 5.298) 5.486 16.687 ( 5.571 4.238 0.514) 7.018 16.883 ( 9.344 3.766 -1.717) 10.219 17.507 ( -3.274 -1.792 0.979) 3.858 17.848 ( -2.295 -1.278 6.624) 7.126 25.078 ( 0.630 2.005 -0.589) 2.183 25.134 ( 1.400 0.517 1.162) 1.891 26.402 ( 6.232 4.955 -0.173) 7.964 26.454 ( 5.150 3.071 -0.351) 6.006 26.817 ( -2.045 4.087 2.506) 5.212 26.994 ( 0.549 0.255 2.166) 2.249 28.024 ( 2.770 -2.469 3.465) 5.077 28.197 ( -5.366 -3.389 -8.692) 10.762 ======================= Grid point 44 (27/215) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 3.269 7.438 3.626) 8.897 2.727 ( -2.005 6.571 -3.475) 7.699 3.301 ( 3.798 14.453 0.390) 14.949 3.361 ( 9.333 6.739 0.627) 11.529 3.753 ( -1.375 1.812 1.554) 2.755 4.029 ( -11.875 -1.098 -2.458) 12.177 4.490 ( 2.380 5.486 -1.457) 6.155 4.785 ( -9.118 1.912 3.577) 9.980 4.891 ( 1.699 5.589 4.627) 7.452 5.166 ( -2.971 3.642 0.997) 4.805 5.507 ( 1.022 -8.449 15.613) 17.782 5.957 ( 0.115 -4.252 -7.051) 8.234 6.144 ( 1.097 3.891 -4.289) 5.894 6.234 ( -0.930 -15.547 -2.207) 15.730 6.281 ( 0.306 5.333 2.424) 5.866 6.528 ( 3.849 -5.625 10.224) 12.287 6.688 ( -0.559 -6.193 -2.028) 6.540 7.057 ( -5.605 -3.921 -3.068) 7.497 7.426 ( 3.971 5.393 11.607) 13.400 7.706 ( -0.417 -3.221 0.007) 3.247 7.958 ( -0.169 -6.227 -7.095) 9.442 8.251 ( 3.503 -1.390 1.412) 4.024 8.807 ( 2.683 12.625 -3.748) 13.440 8.915 ( -11.504 4.042 -7.701) 14.422 9.843 ( 0.244 -2.406 0.962) 2.603 10.462 ( -0.600 -5.486 1.176) 5.643 10.751 ( 0.804 -8.571 -0.446) 8.621 11.162 ( -1.800 -8.223 1.796) 8.607 11.687 ( -0.215 2.212 -0.976) 2.427 12.200 ( 0.281 6.569 1.441) 6.731 12.787 ( 0.106 0.686 1.238) 1.419 13.085 ( 1.710 4.408 -1.804) 5.061 13.813 ( 0.750 7.890 -4.784) 9.257 14.094 ( 6.425 1.541 -1.966) 6.894 15.038 ( -5.106 -12.963 -5.213) 14.876 15.820 ( -0.289 -4.052 2.078) 4.563 16.804 ( 6.620 6.590 1.781) 9.509 16.995 ( 5.658 4.433 -0.952) 7.251 17.448 ( -3.375 -2.300 -0.643) 4.135 17.861 ( -3.296 -0.422 3.705) 4.977 25.072 ( -0.042 2.761 -0.616) 2.830 25.173 ( 1.291 0.224 1.003) 1.650 26.488 ( 4.769 6.804 -0.601) 8.331 26.547 ( 5.505 5.178 1.099) 7.638 26.796 ( -3.353 2.884 1.390) 4.636 26.994 ( -2.922 0.901 1.520) 3.415 28.023 ( -1.375 -3.774 -4.700) 6.183 28.122 ( 1.393 -3.679 0.772) 4.009 ======================= Grid point 45 (28/215) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.000 11.443 0.000) 11.443 2.687 ( 0.000 10.932 0.000) 10.932 3.314 ( -0.000 11.649 0.000) 11.649 3.458 ( 0.000 10.540 0.000) 10.540 3.725 ( 0.000 -6.858 0.000) 6.858 3.920 ( -0.000 3.761 0.000) 3.761 4.509 ( 0.000 4.131 0.000) 4.131 4.724 ( -0.000 7.511 0.000) 7.511 4.931 ( 0.000 2.731 0.000) 2.731 5.148 ( 0.000 1.963 0.000) 1.963 5.659 ( -0.000 -7.354 -0.000) 7.354 5.879 ( 0.000 -5.722 0.000) 5.722 6.094 ( -0.000 7.312 0.000) 7.312 6.245 ( 0.000 -18.829 0.000) 18.829 6.302 ( 0.000 5.624 0.000) 5.624 6.586 ( 0.000 -6.646 0.000) 6.646 6.700 ( 0.000 -7.901 -0.000) 7.901 6.979 ( 0.000 -7.297 0.000) 7.297 7.583 ( -0.000 1.146 -0.000) 1.146 7.672 ( 0.000 -0.460 0.000) 0.460 7.908 ( 0.000 -8.674 0.000) 8.674 8.327 ( 0.000 3.691 0.000) 3.691 8.687 ( 0.000 4.058 0.000) 4.058 8.850 ( -0.000 15.031 0.000) 15.031 9.853 ( 0.000 -2.435 -0.000) 2.435 10.461 ( 0.000 -6.886 0.000) 6.886 10.754 ( -0.000 -8.878 0.000) 8.878 11.159 ( 0.000 -8.181 -0.000) 8.181 11.676 ( 0.000 2.749 0.000) 2.749 12.211 ( 0.000 6.133 0.000) 6.133 12.797 ( 0.000 2.122 0.000) 2.122 13.092 ( -0.000 5.462 0.000) 5.462 13.781 ( 0.000 8.188 0.000) 8.188 14.142 ( 0.000 2.544 0.000) 2.544 14.963 ( 0.000 -16.031 0.000) 16.031 15.829 ( 0.000 -5.315 0.000) 5.315 16.884 ( 0.000 8.807 0.000) 8.807 17.027 ( -0.000 3.792 -0.000) 3.792 17.414 ( 0.000 -2.807 0.000) 2.807 17.853 ( 0.000 -0.108 0.000) 0.108 25.067 ( 0.000 2.996 0.000) 2.996 25.190 ( 0.000 0.240 0.000) 0.240 26.525 ( 0.000 8.009 0.000) 8.009 26.612 ( -0.000 7.312 0.000) 7.312 26.767 ( 0.000 1.139 0.000) 1.139 26.971 ( -0.000 0.569 0.000) 0.569 27.980 ( 0.000 -4.411 0.000) 4.411 28.143 ( 0.000 -3.630 0.000) 3.630 ======================= Grid point 52 (29/215) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 -4.890 0.000) 4.890 2.482 ( 0.000 12.139 0.000) 12.139 2.623 ( 0.000 13.151 0.000) 13.151 3.139 ( 0.000 -21.580 0.000) 21.580 3.535 ( 0.000 1.993 0.000) 1.993 3.975 ( 0.000 -2.978 0.000) 2.978 4.276 ( 0.000 8.280 0.000) 8.280 4.802 ( 0.000 -11.682 0.000) 11.682 5.053 ( 0.000 5.343 0.000) 5.343 5.221 ( 0.000 2.682 0.000) 2.682 5.527 ( 0.000 -4.548 0.000) 4.548 5.852 ( 0.000 5.146 0.000) 5.146 5.990 ( 0.000 1.547 0.000) 1.547 6.179 ( 0.000 -5.076 0.000) 5.076 6.402 ( 0.000 17.759 0.000) 17.759 6.703 ( 0.000 2.237 0.000) 2.237 7.044 ( 0.000 11.121 0.000) 11.121 7.253 ( 0.000 6.311 0.000) 6.311 7.541 ( 0.000 -10.503 0.000) 10.503 7.599 ( 0.000 -15.404 0.000) 15.404 8.080 ( 0.000 -2.864 0.000) 2.864 8.114 ( 0.000 -5.981 0.000) 5.981 9.167 ( 0.000 3.617 0.000) 3.617 9.580 ( 0.000 0.071 0.000) 0.071 10.119 ( 0.000 -2.295 0.000) 2.295 10.385 ( 0.000 3.331 0.000) 3.331 10.932 ( 0.000 -1.395 0.000) 1.395 11.047 ( 0.000 -2.354 0.000) 2.354 11.646 ( 0.000 1.942 0.000) 1.942 12.136 ( 0.000 -0.969 0.000) 0.969 12.560 ( 0.000 -1.568 0.000) 1.568 12.909 ( 0.000 1.826 0.000) 1.826 13.614 ( 0.000 -0.365 0.000) 0.365 14.142 ( 0.000 -2.850 0.000) 2.850 15.226 ( 0.000 -2.742 0.000) 2.742 15.994 ( 0.000 0.182 0.000) 0.182 16.585 ( 0.000 1.743 0.000) 1.743 17.076 ( 0.000 0.469 0.000) 0.469 17.284 ( 0.000 8.379 0.000) 8.379 17.450 ( 0.000 -6.564 0.000) 6.564 24.946 ( 0.000 0.410 0.000) 0.410 25.219 ( 0.000 1.286 0.000) 1.286 26.297 ( 0.000 1.570 0.000) 1.570 26.455 ( 0.000 1.063 0.000) 1.063 26.619 ( 0.000 1.618 0.000) 1.618 26.730 ( 0.000 -1.859 0.000) 1.859 27.429 ( 0.000 -1.341 0.000) 1.341 28.956 ( 0.000 -1.066 0.000) 1.066 ======================= Grid point 53 (30/215) ======================= q-point: ( 0.08 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 1.104 10.887 1.414) 11.034 2.450 ( -0.120 -3.665 6.010) 7.040 2.741 ( 5.659 6.707 -1.491) 8.901 2.972 ( -9.175 -14.496 -2.210) 17.298 3.746 ( 11.061 2.222 16.903) 20.322 4.069 ( 10.647 0.297 -6.417) 12.435 4.284 ( -3.251 0.573 5.261) 6.211 4.849 ( -8.552 -6.526 -3.306) 11.254 4.986 ( 4.947 4.305 5.505) 8.562 5.198 ( -4.821 2.736 3.624) 6.623 5.534 ( -2.436 -7.346 4.784) 9.099 5.772 ( -5.769 3.619 -4.491) 8.158 6.035 ( 0.055 6.728 2.624) 7.222 6.152 ( -1.771 -1.427 1.127) 2.538 6.421 ( -0.472 9.217 2.802) 9.645 6.670 ( -4.880 2.078 1.914) 5.639 6.985 ( -0.420 13.787 -7.870) 15.880 7.251 ( -0.101 6.141 -1.041) 6.230 7.515 ( -2.292 -10.924 -1.707) 11.292 7.623 ( 4.845 -15.995 -3.466) 17.068 8.031 ( -4.855 0.225 1.831) 5.193 8.163 ( 0.267 -6.410 5.087) 8.188 9.184 ( -0.008 6.789 1.134) 6.883 9.445 ( -9.142 -3.910 -4.483) 10.907 10.239 ( 9.286 -2.238 3.148) 10.057 10.376 ( 1.203 3.041 -3.785) 5.002 10.846 ( -11.887 1.049 -8.713) 14.776 10.972 ( -2.012 -4.667 3.795) 6.343 11.650 ( 0.890 1.551 -0.607) 1.888 12.151 ( 0.564 -0.260 1.448) 1.576 12.619 ( 5.338 -1.536 0.631) 5.590 12.961 ( 10.529 0.984 -6.244) 12.281 13.606 ( -1.583 -0.341 1.227) 2.032 14.130 ( 5.674 -2.257 -9.229) 11.066 15.292 ( 0.571 -1.571 10.138) 10.275 15.946 ( -6.184 -0.151 -0.305) 6.194 16.597 ( 3.191 2.382 -1.948) 4.433 17.030 ( -3.043 0.522 -4.886) 5.780 17.328 ( 1.570 7.215 5.003) 8.920 17.471 ( 1.715 -6.500 2.776) 7.273 24.959 ( 1.088 0.351 0.768) 1.377 25.209 ( -0.570 1.219 -0.893) 1.615 26.299 ( 1.566 1.900 -1.540) 2.905 26.408 ( -1.041 0.127 -3.687) 3.834 26.659 ( 3.877 0.902 0.914) 4.084 26.778 ( 5.341 -0.692 -0.875) 5.457 27.515 ( 3.554 -1.291 8.475) 9.281 28.878 ( -6.426 -0.854 -4.210) 7.730 ======================= Grid point 54 (31/215) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 2.024 11.960 6.555) 13.788 2.508 ( 1.463 -2.455 0.328) 2.877 2.753 ( 2.958 -12.986 8.658) 15.886 3.054 ( 12.495 1.023 3.257) 12.953 4.000 ( -7.986 7.352 2.248) 11.084 4.208 ( 14.816 2.861 4.904) 15.867 4.301 ( 0.870 -5.379 1.844) 5.753 4.562 ( -6.223 -0.553 -7.958) 10.117 5.108 ( -8.404 -2.936 3.104) 9.427 5.282 ( 4.227 -2.727 12.888) 13.835 5.558 ( -5.712 4.417 10.020) 12.350 5.638 ( -11.540 -2.134 7.920) 14.158 6.015 ( -0.368 9.180 -2.658) 9.564 6.150 ( -0.770 -1.993 -0.529) 2.201 6.439 ( 0.839 -0.132 -0.080) 0.853 6.618 ( -5.904 0.938 3.229) 6.794 6.875 ( -0.705 18.112 -7.996) 19.811 7.227 ( -0.888 7.566 -0.729) 7.653 7.444 ( -3.012 -7.902 -2.427) 8.798 7.640 ( 3.639 -16.249 -4.644) 17.287 8.001 ( -4.692 -0.204 5.812) 7.472 8.211 ( -0.091 -4.556 1.134) 4.695 9.083 ( -7.397 9.526 -7.215) 14.054 9.368 ( -1.595 -7.381 6.281) 9.822 10.260 ( -6.170 1.998 -13.803) 15.250 10.407 ( 6.714 -1.713 1.156) 7.025 10.568 ( -4.443 -0.083 -6.013) 7.477 11.008 ( -3.041 -4.336 7.229) 8.961 11.661 ( 1.749 0.961 -0.865) 2.175 12.184 ( 0.514 1.152 2.786) 3.059 12.693 ( 2.455 -1.655 0.509) 3.004 13.059 ( 13.751 -0.223 -11.055) 17.645 13.613 ( -0.159 -0.041 3.406) 3.410 14.113 ( 10.246 -1.149 -14.603) 17.876 15.467 ( 1.821 1.856 14.404) 14.637 15.783 ( -10.388 -1.458 -4.589) 11.450 16.651 ( 6.030 3.847 -1.157) 7.245 16.876 ( -5.553 -0.580 -7.196) 9.108 17.424 ( 1.920 2.185 4.958) 5.749 17.582 ( 4.020 -3.244 7.170) 8.837 24.997 ( 2.023 0.245 1.517) 2.540 25.183 ( -0.888 1.010 -1.415) 1.953 26.317 ( 3.447 2.209 -1.787) 4.467 26.376 ( 2.623 -0.606 -3.284) 4.246 26.754 ( 5.623 0.767 1.933) 5.995 26.849 ( 4.351 -0.151 -0.404) 4.372 27.699 ( 5.080 -1.106 9.384) 10.728 28.672 ( -10.177 -0.524 -7.408) 12.599 ======================= Grid point 55 (32/215) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -5.189 -2.018 3.615) 6.638 2.723 ( 12.605 5.572 3.292) 14.169 2.967 ( 5.280 -0.479 12.607) 13.677 3.322 ( 11.049 -2.600 7.019) 13.345 3.835 ( -3.711 2.895 -5.297) 7.086 4.099 ( -5.579 -2.354 -9.209) 11.022 4.472 ( 11.973 10.439 -2.879) 16.144 4.717 ( 9.186 -4.669 12.594) 16.272 5.052 ( -4.104 -3.144 5.844) 7.803 5.296 ( -14.666 -0.626 7.584) 16.523 5.382 ( -23.607 -2.558 9.515) 25.580 5.778 ( -0.582 0.079 13.818) 13.830 6.007 ( 4.427 4.903 -1.462) 6.766 6.123 ( 2.490 -2.864 -5.149) 6.396 6.453 ( 1.696 -2.433 -1.458) 3.305 6.527 ( -7.073 0.154 -1.309) 7.195 6.792 ( -1.681 16.301 -3.063) 16.671 7.213 ( -5.164 3.106 4.200) 7.346 7.386 ( 0.785 2.461 -1.862) 3.185 7.657 ( 3.057 -9.231 -0.536) 9.739 8.001 ( -2.430 -4.185 2.742) 5.562 8.166 ( -3.411 -4.337 -3.966) 6.795 8.924 ( -2.455 6.158 -3.095) 7.316 9.402 ( -5.370 -3.298 3.915) 7.419 9.943 ( -6.119 0.140 -15.417) 16.587 10.457 ( 0.793 3.360 -0.589) 3.502 10.557 ( 3.647 -5.778 -1.685) 7.037 11.031 ( -4.097 -4.620 6.129) 8.700 11.685 ( 2.244 0.550 -0.545) 2.373 12.231 ( 0.173 2.324 3.808) 4.464 12.717 ( 0.091 -1.445 1.352) 1.981 13.110 ( 9.216 -0.362 -10.716) 14.138 13.699 ( 5.417 0.217 3.773) 6.605 14.105 ( 11.227 0.113 -15.578) 19.202 15.473 ( -11.972 2.456 -8.544) 14.912 15.694 ( 0.053 -1.010 10.735) 10.782 16.705 ( 0.516 3.300 -2.644) 4.260 16.800 ( 7.604 -0.822 -1.993) 7.903 17.484 ( -0.225 -0.540 2.439) 2.508 17.730 ( 1.852 -1.224 8.689) 8.968 25.055 ( 2.514 0.273 1.939) 3.187 25.153 ( -0.693 0.742 -1.290) 1.641 26.372 ( 5.479 1.766 -0.819) 5.815 26.411 ( 5.530 0.159 -1.922) 5.857 26.860 ( 3.127 2.546 2.498) 4.743 26.908 ( 2.964 -1.631 1.556) 3.724 27.873 ( 4.701 -0.854 6.358) 7.953 28.405 ( -10.262 -0.522 -9.294) 13.855 ======================= Grid point 56 (33/215) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 3.769 1.536 5.077) 6.507 2.796 ( -0.966 -0.731 -3.089) 3.318 3.234 ( 9.968 5.538 10.716) 15.648 3.490 ( -2.997 4.662 9.761) 11.225 3.844 ( 10.426 6.093 -6.609) 13.766 4.031 ( 3.766 -10.484 -0.748) 11.165 4.592 ( 6.380 12.719 -3.929) 14.762 4.877 ( -1.266 -1.736 3.342) 3.973 4.998 ( -13.690 5.869 4.359) 15.519 5.141 ( -10.661 -7.929 5.623) 14.427 5.251 ( -8.199 -6.617 15.281) 18.561 5.841 ( 2.712 -7.457 -1.596) 8.094 6.045 ( 4.753 2.990 -6.910) 8.905 6.183 ( 3.885 -2.539 6.168) 7.719 6.368 ( -5.921 2.529 -4.126) 7.647 6.468 ( -3.733 -1.816 3.417) 5.377 6.731 ( -3.140 10.046 -1.415) 10.620 7.101 ( -9.570 -8.174 -2.036) 12.749 7.471 ( 4.051 12.084 7.140) 14.609 7.710 ( 0.989 4.065 2.159) 4.708 7.982 ( -0.449 -8.265 -4.678) 9.508 8.052 ( -2.374 -6.281 -0.457) 6.730 8.951 ( 4.316 6.681 3.547) 8.709 9.239 ( -9.606 -0.177 -9.157) 13.273 9.780 ( -1.135 -2.798 -4.310) 5.262 10.450 ( -1.233 3.321 -0.200) 3.548 10.576 ( 0.922 -7.767 -1.155) 7.907 11.032 ( -2.772 -4.240 3.565) 6.195 11.711 ( 1.534 0.518 -0.461) 1.684 12.270 ( -0.762 2.476 3.277) 4.177 12.753 ( 1.405 -0.034 3.134) 3.434 13.116 ( 4.798 0.213 -6.198) 7.841 13.850 ( 8.294 0.670 2.086) 8.578 14.090 ( 8.604 1.313 -13.229) 15.836 15.148 ( -12.138 -1.518 -11.546) 16.821 15.774 ( -2.535 0.136 5.207) 5.793 16.745 ( 6.460 1.546 1.620) 6.837 16.942 ( 10.052 1.752 -0.457) 10.213 17.469 ( -3.422 -1.328 -0.016) 3.671 17.827 ( -1.672 -0.641 7.058) 7.282 25.113 ( 1.652 1.270 0.981) 2.303 25.137 ( 0.393 -0.231 0.007) 0.456 26.468 ( 7.067 1.512 0.211) 7.230 26.499 ( 7.205 1.341 -0.673) 7.359 26.886 ( -2.357 2.363 1.957) 3.869 26.980 ( 0.799 -1.193 3.454) 3.740 27.995 ( 3.568 -0.568 3.238) 4.852 28.152 ( -6.936 -1.059 -9.298) 11.648 ======================= Grid point 57 (34/215) ======================= q-point: ( 0.42 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 10.629 7.295 3.875) 13.462 2.779 ( 6.744 -0.944 -4.599) 8.218 3.457 ( -12.579 3.512 9.002) 15.862 3.492 ( 3.701 2.566 10.513) 11.437 3.844 ( -4.377 4.947 -5.387) 8.523 4.105 ( 7.073 6.603 -2.329) 9.953 4.569 ( -1.328 1.877 -2.845) 3.658 4.851 ( -4.650 5.525 3.744) 8.134 4.927 ( 3.136 -2.898 -1.557) 4.545 5.083 ( -2.585 -8.457 -1.215) 8.926 5.330 ( -5.422 -4.776 14.953) 16.607 5.869 ( 5.021 -12.560 -4.789) 14.349 6.042 ( 5.609 8.675 -7.840) 12.969 6.259 ( -4.912 3.813 1.102) 6.315 6.319 ( 4.436 -3.022 4.699) 7.134 6.429 ( -6.443 -4.607 5.643) 9.725 6.650 ( -4.131 3.676 -2.919) 6.253 6.920 ( -7.488 -7.556 -3.382) 11.162 7.606 ( 1.554 3.049 5.803) 6.737 7.714 ( -0.545 9.083 -0.124) 9.100 7.864 ( -1.757 -3.799 -7.176) 8.307 8.176 ( 5.727 -5.250 11.313) 13.724 8.946 ( -7.465 1.875 -13.934) 15.919 9.089 ( 4.403 9.696 3.898) 11.340 9.742 ( -0.950 -5.953 -0.324) 6.037 10.413 ( -3.049 1.297 0.238) 3.322 10.573 ( 0.485 -7.859 -0.741) 7.909 11.035 ( -0.828 -3.463 1.636) 3.919 11.720 ( 0.431 0.890 -0.565) 1.139 12.285 ( -0.874 1.905 1.644) 2.664 12.823 ( 1.829 1.994 3.139) 4.145 13.125 ( 2.373 0.172 -1.922) 3.059 13.968 ( 4.803 6.344 -2.091) 8.227 14.089 ( 6.343 -2.012 -4.797) 8.203 14.855 ( -8.717 -4.831 -8.483) 13.088 15.767 ( -2.188 -1.286 1.252) 2.830 16.909 ( 8.595 3.148 3.702) 9.873 17.075 ( 6.519 2.838 -0.512) 7.128 17.386 ( -5.143 -2.781 -1.654) 6.076 17.852 ( -2.882 -0.329 3.911) 4.870 25.116 ( -0.036 1.387 -0.414) 1.447 25.173 ( 1.417 -0.179 1.151) 1.834 26.588 ( 6.877 2.787 0.250) 7.425 26.614 ( 7.515 1.546 0.240) 7.677 26.846 ( -4.985 1.683 1.436) 5.453 26.990 ( -3.808 -0.755 2.457) 4.594 27.978 ( -2.414 -0.897 -6.001) 6.530 28.072 ( 2.013 -1.264 1.140) 2.636 ======================= Grid point 58 (35/215) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 194 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 0.000 9.626 0.000) 9.626 2.836 ( 0.000 3.453 0.000) 3.453 3.354 ( 0.000 -4.463 0.000) 4.463 3.619 ( 0.000 0.243 -0.000) 0.243 3.717 ( 0.000 7.798 0.000) 7.798 4.154 ( -0.000 16.210 0.000) 16.210 4.538 ( 0.000 -4.147 0.000) 4.147 4.847 ( 0.000 4.597 0.000) 4.597 4.963 ( -0.000 -2.814 0.000) 2.814 5.030 ( 0.000 -4.723 -0.000) 4.723 5.400 ( 0.000 -10.505 -0.000) 10.505 5.869 ( 0.000 -10.462 0.000) 10.462 6.041 ( 0.000 10.119 0.000) 10.119 6.218 ( 0.000 4.342 0.000) 4.342 6.380 ( -0.000 -1.770 0.000) 1.770 6.470 ( 0.000 -3.226 0.000) 3.226 6.551 ( -0.000 -4.991 -0.000) 4.991 6.834 ( 0.000 -5.087 0.000) 5.087 7.640 ( 0.000 0.317 0.000) 0.317 7.729 ( 0.000 5.899 -0.000) 5.899 7.795 ( 0.000 -2.548 0.000) 2.548 8.351 ( 0.000 -0.768 -0.000) 0.768 8.748 ( 0.000 1.678 0.000) 1.678 9.155 ( -0.000 12.644 0.000) 12.644 9.734 ( 0.000 -7.941 0.000) 7.941 10.385 ( 0.000 0.143 0.000) 0.143 10.573 ( 0.000 -7.587 0.000) 7.587 11.039 ( 0.000 -3.106 0.000) 3.106 11.718 ( 0.000 1.148 0.000) 1.148 12.287 ( 0.000 1.604 0.000) 1.604 12.860 ( 0.000 3.050 0.000) 3.050 13.135 ( 0.000 -0.297 0.000) 0.297 13.977 ( 0.000 10.000 0.000) 10.000 14.134 ( 0.000 -3.993 0.000) 3.993 14.722 ( 0.000 -6.729 0.000) 6.729 15.755 ( 0.000 -1.889 0.000) 1.889 17.034 ( 0.000 4.088 0.000) 4.088 17.112 ( -0.000 5.266 0.000) 5.266 17.318 ( 0.000 -5.686 0.000) 5.686 17.848 ( 0.000 -0.191 0.000) 0.191 25.113 ( 0.000 1.323 0.000) 1.323 25.192 ( 0.000 -0.026 0.000) 0.026 26.654 ( 0.000 4.558 0.000) 4.558 26.704 ( -0.000 1.035 0.000) 1.035 26.791 ( 0.000 1.412 0.000) 1.412 26.959 ( -0.000 -1.232 0.000) 1.232 27.924 ( 0.000 -1.284 0.000) 1.284 28.096 ( 0.000 -1.122 0.000) 1.122 ======================= Grid point 117 (36/215) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.415 0.000 42.505) 42.507 0.900 ( 4.767 0.000 43.812) 44.070 1.364 ( 2.848 0.000 65.814) 65.876 3.586 ( -2.056 0.000 16.230) 16.360 3.734 ( -0.588 0.000 6.501) 6.527 4.016 ( -1.585 0.000 18.559) 18.627 4.670 ( -0.936 0.000 3.280) 3.411 4.853 ( 0.881 0.000 -21.447) 21.465 5.212 ( -5.149 0.000 -16.509) 17.293 5.508 ( 1.422 0.000 -5.493) 5.674 5.514 ( 1.594 0.000 -5.119) 5.362 5.741 ( 1.660 0.000 8.528) 8.688 6.150 ( 0.490 0.000 -3.945) 3.976 6.265 ( -7.608 0.000 2.713) 8.077 6.477 ( 3.566 0.000 -0.564) 3.610 6.796 ( -0.911 0.000 2.994) 3.130 6.815 ( 8.711 0.000 9.240) 12.699 7.191 ( -1.776 0.000 0.746) 1.926 7.191 ( 1.496 0.000 -5.252) 5.461 7.786 ( -3.039 0.000 -8.396) 8.929 8.180 ( 1.516 0.000 -18.559) 18.621 8.211 ( 0.403 0.000 -14.867) 14.873 9.118 ( -6.293 0.000 12.049) 13.594 9.688 ( -2.543 0.000 3.866) 4.628 10.144 ( 9.392 0.000 0.023) 9.392 10.211 ( 1.338 0.000 2.646) 2.965 11.137 ( 2.137 0.000 -3.410) 4.024 11.156 ( -7.833 0.000 1.361) 7.950 11.473 ( -8.348 0.000 -0.487) 8.362 11.698 ( 2.177 0.000 -0.088) 2.179 12.891 ( 5.157 0.000 2.445) 5.707 13.067 ( 2.752 0.000 0.413) 2.782 13.675 ( -0.159 0.000 2.212) 2.218 13.949 ( -1.510 0.000 -0.171) 1.520 15.778 ( -3.174 0.000 1.810) 3.654 16.089 ( 0.941 0.000 -0.299) 0.987 16.160 ( -0.957 0.000 -1.349) 1.654 16.281 ( -2.326 0.000 -2.979) 3.780 17.629 ( 3.657 0.000 2.327) 4.334 17.934 ( -4.098 0.000 -1.114) 4.247 24.822 ( 1.842 0.000 1.544) 2.403 25.090 ( -0.425 0.000 -1.396) 1.459 26.060 ( 4.306 0.000 0.537) 4.339 26.365 ( -0.376 0.000 -3.344) 3.365 26.497 ( 7.782 0.000 1.682) 7.961 26.868 ( -0.880 0.000 -2.067) 2.246 27.930 ( 1.467 0.000 6.246) 6.416 28.752 ( -9.472 0.000 -3.062) 9.955 ======================= Grid point 118 (37/215) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.652 0.000 39.415) 39.504 1.465 ( 10.928 0.000 40.122) 41.584 2.583 ( 39.233 0.000 57.604) 69.695 3.621 ( -15.574 0.000 8.322) 17.658 3.748 ( -7.786 0.000 6.196) 9.950 4.165 ( -10.489 0.000 9.332) 14.040 4.578 ( -11.951 0.000 11.907) 16.870 4.614 ( 4.144 0.000 -24.357) 24.707 4.844 ( -12.916 0.000 -7.532) 14.951 5.402 ( -9.505 0.000 -7.357) 12.019 5.657 ( 13.744 0.000 1.408) 13.816 5.886 ( -3.863 0.000 13.617) 14.154 6.091 ( 7.360 0.000 -14.618) 16.367 6.112 ( -6.195 0.000 -5.176) 8.073 6.521 ( 0.119 0.000 0.038) 0.125 6.831 ( 2.920 0.000 -2.888) 4.107 6.870 ( -7.628 0.000 -0.820) 7.672 7.203 ( 1.733 0.000 3.207) 3.645 7.314 ( 14.474 0.000 0.520) 14.484 7.624 ( -6.145 0.000 -5.369) 8.160 7.956 ( 4.390 0.000 -20.403) 20.870 8.075 ( 4.699 0.000 -14.180) 14.938 9.113 ( -10.371 0.000 10.016) 14.418 9.703 ( -1.705 0.000 4.478) 4.792 10.263 ( 6.700 0.000 -8.156) 10.555 10.284 ( 2.347 0.000 3.789) 4.457 11.003 ( -9.061 0.000 0.471) 9.073 11.145 ( 3.834 0.000 -2.665) 4.669 11.542 ( 8.789 0.000 -0.666) 8.814 11.708 ( -1.518 0.000 0.782) 1.707 12.852 ( -7.020 0.000 2.436) 7.431 13.186 ( 9.992 0.000 1.130) 10.056 13.744 ( 1.147 0.000 2.340) 2.606 13.875 ( -6.301 0.000 -2.024) 6.618 15.702 ( -7.324 0.000 2.774) 7.831 16.095 ( 1.465 0.000 -1.143) 1.858 16.161 ( 2.733 0.000 -2.271) 3.553 16.280 ( 4.999 0.000 -4.969) 7.049 17.754 ( 5.767 0.000 4.845) 7.532 17.788 ( -9.333 0.000 2.012) 9.548 24.882 ( 2.866 0.000 2.490) 3.797 25.064 ( -0.000 0.000 -2.414) 2.414 26.098 ( 1.026 0.000 0.345) 1.082 26.303 ( -1.367 0.000 -4.435) 4.641 26.589 ( 1.869 0.000 3.681) 4.129 26.843 ( 1.904 0.000 -3.537) 4.017 28.039 ( 0.376 0.000 9.095) 9.103 28.636 ( -2.122 0.000 -5.589) 5.978 ======================= Grid point 119 (38/215) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 14.206 0.000 25.491) 29.182 2.116 ( 12.117 0.000 37.133) 39.060 3.257 ( -22.612 0.000 -12.829) 25.998 3.593 ( -4.897 0.000 -0.641) 4.939 3.851 ( -23.819 0.000 -5.455) 24.436 3.889 ( 33.450 0.000 49.613) 59.836 4.385 ( -1.859 0.000 -20.513) 20.597 4.548 ( -9.125 0.000 13.454) 16.257 4.908 ( -0.261 0.000 20.561) 20.562 5.091 ( -15.893 0.000 -3.731) 16.325 5.793 ( -16.709 0.000 -0.885) 16.732 5.867 ( 7.854 0.000 3.039) 8.422 6.031 ( 5.017 0.000 -10.862) 11.965 6.072 ( -1.926 0.000 4.649) 5.032 6.442 ( -3.654 0.000 -9.669) 10.337 6.677 ( -8.883 0.000 -4.571) 9.990 6.873 ( 9.987 0.000 -2.950) 10.414 7.305 ( 5.356 0.000 2.596) 5.952 7.457 ( -1.979 0.000 -7.525) 7.781 7.560 ( 9.866 0.000 2.360) 10.144 7.851 ( 9.983 0.000 -17.315) 19.987 8.008 ( 6.179 0.000 -13.009) 14.401 9.061 ( -11.231 0.000 11.565) 16.120 9.734 ( -1.194 0.000 4.135) 4.304 10.119 ( -9.404 0.000 -11.541) 14.887 10.363 ( 2.136 0.000 3.438) 4.047 10.961 ( 1.357 0.000 3.255) 3.527 11.196 ( 5.331 0.000 -1.333) 5.495 11.647 ( 6.673 0.000 -2.997) 7.315 11.671 ( -4.183 0.000 0.700) 4.242 12.781 ( -6.423 0.000 3.474) 7.302 13.342 ( 6.937 0.000 -2.352) 7.325 13.725 ( -6.472 0.000 -2.535) 6.951 13.755 ( -2.377 0.000 1.954) 3.078 15.676 ( -1.980 0.000 6.459) 6.756 16.120 ( 3.068 0.000 -0.642) 3.134 16.177 ( 2.855 0.000 -2.470) 3.775 16.306 ( 6.839 0.000 -5.686) 8.894 17.698 ( -5.450 0.000 1.265) 5.594 17.891 ( 3.324 0.000 4.744) 5.792 24.967 ( 3.757 0.000 2.721) 4.638 25.031 ( -0.058 0.000 -3.206) 3.207 26.116 ( 0.420 0.000 0.927) 1.018 26.227 ( -1.399 0.000 -4.328) 4.548 26.665 ( 0.503 0.000 5.854) 5.875 26.839 ( 3.503 0.000 -4.528) 5.725 28.152 ( -0.364 0.000 10.001) 10.008 28.519 ( -2.156 0.000 -8.536) 8.804 ======================= Grid point 120 (39/215) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 13.300 0.000 15.377) 20.330 2.576 ( -11.107 0.000 15.407) 18.993 2.871 ( 2.707 0.000 -2.597) 3.751 3.386 ( -9.510 0.000 -8.368) 12.668 3.482 ( -12.473 0.000 -0.094) 12.474 4.012 ( -12.151 0.000 -18.295) 21.962 4.613 ( -8.383 0.000 18.774) 20.561 4.801 ( 6.239 0.000 4.629) 7.769 5.035 ( -5.277 0.000 4.519) 6.948 5.098 ( 17.008 0.000 29.593) 34.133 5.460 ( -18.330 0.000 2.554) 18.507 5.865 ( -2.714 0.000 -12.399) 12.692 6.035 ( -6.029 0.000 1.796) 6.291 6.067 ( -2.530 0.000 9.303) 9.641 6.315 ( 8.959 0.000 -7.387) 11.612 6.577 ( -1.068 0.000 1.152) 1.572 7.049 ( 13.934 0.000 -2.623) 14.179 7.324 ( -1.828 0.000 -7.732) 7.945 7.399 ( 3.949 0.000 -0.708) 4.012 7.712 ( 6.033 0.000 -1.011) 6.117 7.850 ( 12.113 0.000 -11.708) 16.846 7.944 ( 5.941 0.000 -13.107) 14.391 9.053 ( -11.301 0.000 16.704) 20.167 9.659 ( -15.945 0.000 -7.801) 17.751 9.851 ( -3.565 0.000 -0.264) 3.575 10.434 ( 2.007 0.000 3.114) 3.704 11.079 ( 6.794 0.000 3.561) 7.671 11.267 ( 4.683 0.000 -0.516) 4.711 11.599 ( -4.901 0.000 -0.284) 4.909 11.685 ( 3.541 0.000 -3.532) 5.001 12.725 ( -6.467 0.000 4.139) 7.678 13.243 ( -7.996 0.000 -8.905) 11.968 13.721 ( 5.402 0.000 0.658) 5.442 13.732 ( -2.701 0.000 1.290) 2.993 15.781 ( 2.409 0.000 8.833) 9.156 16.163 ( 2.478 0.000 -0.299) 2.496 16.204 ( 4.000 0.000 -1.359) 4.225 16.382 ( 11.406 0.000 -5.245) 12.554 17.625 ( -5.470 0.000 0.553) 5.498 17.950 ( -1.361 0.000 2.314) 2.684 24.986 ( -0.532 0.000 -3.551) 3.590 25.057 ( 3.628 0.000 2.276) 4.283 26.134 ( 0.196 0.000 1.264) 1.279 26.163 ( -0.771 0.000 -3.287) 3.377 26.737 ( -0.678 0.000 6.224) 6.261 26.839 ( 3.392 0.000 -4.857) 5.925 28.264 ( -0.201 0.000 9.411) 9.413 28.376 ( -1.858 0.000 -9.406) 9.588 ======================= Grid point 121 (40/215) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -18.476 0.000 1.102) 18.509 2.482 ( 1.184 0.000 6.889) 6.990 2.966 ( 3.316 0.000 -1.513) 3.645 3.091 ( -13.038 0.000 -11.758) 17.557 3.636 ( 9.920 0.000 20.511) 22.784 3.734 ( 3.154 0.000 -12.051) 12.457 4.664 ( -9.915 0.000 7.911) 12.684 4.696 ( -7.939 0.000 -9.442) 12.336 4.910 ( -7.300 0.000 -0.556) 7.322 5.125 ( -9.516 0.000 5.517) 11.000 5.576 ( -7.086 0.000 -15.893) 17.401 5.647 ( -6.324 0.000 4.318) 7.658 6.116 ( 0.887 0.000 1.634) 1.859 6.241 ( 16.811 0.000 22.391) 28.000 6.544 ( 13.132 0.000 8.769) 15.790 6.612 ( 2.771 0.000 0.889) 2.910 7.185 ( 7.869 0.000 -6.558) 10.243 7.264 ( 2.359 0.000 0.122) 2.362 7.387 ( 1.150 0.000 -5.767) 5.881 7.732 ( 3.108 0.000 -5.265) 6.114 7.932 ( 9.718 0.000 -8.764) 13.086 7.938 ( 10.820 0.000 -5.568) 12.169 9.070 ( -15.096 0.000 19.542) 24.694 9.199 ( -22.552 0.000 -11.946) 25.521 9.882 ( -0.630 0.000 5.725) 5.759 10.499 ( 1.413 0.000 3.064) 3.374 11.222 ( 6.606 0.000 1.484) 6.770 11.319 ( 1.877 0.000 0.181) 1.886 11.522 ( -3.021 0.000 -1.522) 3.383 11.687 ( 2.337 0.000 -3.690) 4.367 12.675 ( -6.803 0.000 5.355) 8.658 13.016 ( -5.845 0.000 -7.834) 9.775 13.707 ( -1.740 0.000 0.632) 1.852 13.816 ( 4.852 0.000 0.348) 4.865 15.908 ( 0.846 0.000 6.395) 6.451 16.187 ( 1.375 0.000 -0.558) 1.484 16.285 ( 5.904 0.000 1.685) 6.140 16.536 ( 14.702 0.000 -4.375) 15.339 17.532 ( -7.208 0.000 0.644) 7.237 17.909 ( -4.144 0.000 -1.008) 4.265 24.936 ( -0.547 0.000 -2.925) 2.976 25.130 ( 2.637 0.000 1.471) 3.019 26.127 ( -0.016 0.000 -1.856) 1.856 26.151 ( -0.095 0.000 1.342) 1.345 26.783 ( -2.190 0.000 5.026) 5.482 26.833 ( 2.721 0.000 -4.123) 4.940 28.255 ( 0.050 0.000 -7.759) 7.759 28.361 ( -0.500 0.000 7.272) 7.289 ======================= Grid point 122 (41/215) ======================= q-point: ( 0.42 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -15.690 0.000 4.953) 16.453 2.484 ( -6.063 0.000 0.788) 6.114 2.796 ( -3.926 0.000 -6.682) 7.750 3.027 ( 4.390 0.000 -0.148) 4.392 3.752 ( 11.824 0.000 -10.709) 15.953 3.962 ( 1.000 0.000 8.929) 8.985 4.462 ( -5.680 0.000 -11.426) 12.760 4.487 ( -3.455 0.000 -6.348) 7.227 4.846 ( -7.545 0.000 5.408) 9.283 5.111 ( -7.097 0.000 9.516) 11.872 5.439 ( 4.657 0.000 -0.053) 4.658 5.510 ( -5.158 0.000 -3.663) 6.326 6.121 ( -2.003 0.000 0.527) 2.071 6.507 ( 2.285 0.000 -2.976) 3.752 6.714 ( 3.293 0.000 3.009) 4.460 6.822 ( 10.894 0.000 0.792) 10.923 7.098 ( -4.718 0.000 -5.384) 7.159 7.362 ( 1.354 0.000 -1.503) 2.023 7.413 ( 10.073 0.000 -5.535) 11.494 7.760 ( 4.216 0.000 2.516) 4.909 8.009 ( 10.604 0.000 -7.097) 12.760 8.093 ( 12.401 0.000 6.030) 13.789 8.741 ( -16.767 0.000 -8.940) 19.002 9.011 ( -20.554 0.000 17.697) 27.123 9.939 ( -2.301 0.000 7.364) 7.715 10.545 ( 0.008 0.000 2.467) 2.467 11.305 ( 3.774 0.000 -1.641) 4.115 11.332 ( -0.933 0.000 1.064) 1.416 11.478 ( 0.136 0.000 -2.017) 2.022 11.673 ( 2.022 0.000 -4.571) 4.998 12.650 ( -5.767 0.000 7.739) 9.652 12.906 ( 0.337 0.000 -3.099) 3.117 13.692 ( -0.810 0.000 0.159) 0.826 13.877 ( 2.306 0.000 0.389) 2.338 15.950 ( -1.562 0.000 2.203) 2.701 16.196 ( 0.848 0.000 -0.800) 1.165 16.396 ( 3.002 0.000 3.162) 4.360 16.722 ( 14.116 0.000 -3.554) 14.557 17.417 ( -8.305 0.000 0.895) 8.353 17.826 ( -2.371 0.000 -3.063) 3.874 24.911 ( 0.558 0.000 -0.955) 1.106 25.171 ( 1.015 0.000 0.490) 1.127 26.117 ( 0.569 0.000 -0.516) 0.768 26.161 ( -0.523 0.000 1.166) 1.278 26.783 ( -3.404 0.000 2.419) 4.176 26.834 ( 2.671 0.000 -2.480) 3.645 28.209 ( 2.960 0.000 -3.669) 4.714 28.406 ( -2.415 0.000 3.678) 4.400 ======================= Grid point 123 (42/215) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -4.743 0.000 5.466) 7.237 2.370 ( -1.131 0.000 -3.590) 3.764 2.897 ( 12.647 0.000 7.034) 14.472 3.039 ( -2.560 0.000 -1.921) 3.200 3.781 ( 7.623 0.000 -11.842) 14.083 3.786 ( -14.446 0.000 -11.386) 18.394 4.283 ( 1.586 0.000 -15.803) 15.883 4.429 ( 4.021 0.000 -5.436) 6.761 4.906 ( 1.070 0.000 11.728) 11.777 5.088 ( -5.741 0.000 5.519) 7.963 5.473 ( 1.645 0.000 0.843) 1.849 5.609 ( 5.342 0.000 7.894) 9.532 6.089 ( -2.585 0.000 2.787) 3.802 6.438 ( 1.125 0.000 -14.635) 14.678 6.626 ( -15.646 0.000 -1.208) 15.693 6.758 ( -5.212 0.000 -10.492) 11.715 7.123 ( 6.667 0.000 0.643) 6.698 7.252 ( -1.814 0.000 -5.181) 5.490 7.530 ( 8.291 0.000 -0.896) 8.339 7.788 ( 0.424 0.000 -5.434) 5.451 8.083 ( 11.949 0.000 -10.051) 15.614 8.341 ( -7.310 0.000 9.658) 12.112 8.688 ( 20.186 0.000 7.668) 21.594 8.861 ( -21.778 0.000 15.148) 26.528 9.982 ( -4.520 0.000 9.185) 10.237 10.554 ( -2.158 0.000 1.975) 2.925 11.297 ( -0.283 0.000 -4.552) 4.561 11.322 ( -1.073 0.000 -0.064) 1.075 11.471 ( 1.512 0.000 -1.719) 2.290 11.646 ( 2.340 0.000 -5.140) 5.648 12.682 ( -3.873 0.000 10.168) 10.881 12.945 ( 4.787 0.000 2.357) 5.335 13.685 ( -0.137 0.000 -0.032) 0.140 13.898 ( -0.239 0.000 0.203) 0.314 15.919 ( -3.388 0.000 -0.740) 3.468 16.195 ( 0.465 0.000 -1.186) 1.273 16.430 ( -2.769 0.000 2.340) 3.625 16.869 ( 6.839 0.000 -1.269) 6.956 17.312 ( -4.246 0.000 -0.319) 4.258 17.783 ( 2.052 0.000 -3.451) 4.015 24.935 ( 1.963 0.000 1.509) 2.476 25.172 ( -0.913 0.000 -0.556) 1.069 26.132 ( 1.103 0.000 0.696) 1.304 26.161 ( -0.990 0.000 0.803) 1.274 26.736 ( -3.707 0.000 -0.650) 3.764 26.861 ( 3.047 0.000 -0.708) 3.128 28.262 ( 5.406 0.000 1.122) 5.521 28.366 ( -5.090 0.000 -0.350) 5.102 ======================= Grid point 124 (43/215) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 5.473 0.000 2.497) 6.016 2.413 ( 5.817 0.000 1.612) 6.036 2.885 ( -6.795 0.000 -11.596) 13.440 3.235 ( 11.257 0.000 10.167) 15.169 3.440 ( -9.838 0.000 -7.874) 12.601 3.700 ( 4.850 0.000 -12.340) 13.259 4.176 ( 5.468 0.000 -10.112) 11.495 4.511 ( 19.821 0.000 -12.336) 23.346 5.004 ( -3.782 0.000 3.830) 5.382 5.087 ( -3.385 0.000 3.932) 5.188 5.460 ( -11.358 0.000 -0.738) 11.382 5.669 ( 1.125 0.000 -5.673) 5.783 6.041 ( -15.307 0.000 -12.850) 19.986 6.177 ( 0.343 0.000 13.924) 13.928 6.497 ( -2.288 0.000 1.641) 2.816 6.592 ( -4.562 0.000 -1.250) 4.730 7.197 ( 4.832 0.000 -4.656) 6.710 7.260 ( 4.738 0.000 -0.162) 4.741 7.600 ( -1.790 0.000 2.476) 3.055 7.683 ( -0.696 0.000 -10.562) 10.585 8.163 ( 15.817 0.000 -13.415) 20.740 8.308 ( -4.769 0.000 5.046) 6.943 8.732 ( -16.405 0.000 15.833) 22.799 9.179 ( 22.040 0.000 10.017) 24.209 10.025 ( -5.735 0.000 12.657) 13.895 10.526 ( -4.495 0.000 2.074) 4.951 11.190 ( -4.282 0.000 -6.770) 8.010 11.292 ( -0.302 0.000 -3.320) 3.333 11.483 ( 2.347 0.000 -1.377) 2.720 11.643 ( 3.990 0.000 -3.268) 5.157 12.755 ( -3.275 0.000 10.787) 11.273 13.098 ( 7.896 0.000 5.883) 9.846 13.689 ( 0.468 0.000 0.446) 0.646 13.866 ( -3.161 0.000 -1.334) 3.431 15.828 ( -5.802 0.000 -2.261) 6.227 16.182 ( 0.137 0.000 -1.849) 1.854 16.387 ( -5.380 0.000 2.618) 5.983 16.877 ( -7.198 0.000 3.901) 8.187 17.305 ( 6.471 0.000 -4.511) 7.888 17.795 ( 4.323 0.000 -4.044) 5.920 24.998 ( 2.298 0.000 2.978) 3.762 25.130 ( -2.721 0.000 -1.581) 3.147 26.150 ( -1.271 0.000 0.309) 1.308 26.169 ( 1.763 0.000 1.875) 2.574 26.657 ( -3.360 0.000 -3.064) 4.548 26.909 ( 2.907 0.000 0.533) 2.955 28.246 ( -6.799 0.000 -3.534) 7.662 28.394 ( 6.483 0.000 4.584) 7.940 ======================= Grid point 125 (44/215) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -7.893 0.000 -10.722) 13.314 2.437 ( -12.990 0.000 3.766) 13.525 2.691 ( 6.164 0.000 -7.905) 10.024 3.278 ( 0.543 0.000 -6.854) 6.875 3.370 ( 9.113 0.000 -3.799) 9.874 3.929 ( 28.394 0.000 -1.510) 28.434 4.221 ( 5.947 0.000 1.488) 6.130 4.483 ( -21.524 0.000 -23.015) 31.511 4.848 ( -11.595 0.000 -6.283) 13.188 4.902 ( 5.641 0.000 -9.090) 10.698 5.326 ( -4.199 0.000 16.534) 17.059 5.614 ( 4.664 0.000 -9.278) 10.385 5.981 ( 7.384 0.000 0.757) 7.423 6.329 ( -0.810 0.000 10.334) 10.366 6.514 ( -0.199 0.000 4.389) 4.394 6.612 ( -1.299 0.000 10.176) 10.259 7.159 ( -1.251 0.000 -5.678) 5.814 7.346 ( 6.278 0.000 -1.611) 6.481 7.529 ( -9.279 0.000 1.094) 9.344 7.540 ( 0.151 0.000 -11.704) 11.705 8.258 ( 13.141 0.000 -8.970) 15.910 8.309 ( -3.084 0.000 4.902) 5.792 8.736 ( -6.623 0.000 14.469) 15.913 9.541 ( 14.238 0.000 0.740) 14.257 10.140 ( -1.404 0.000 17.659) 17.715 10.460 ( -6.448 0.000 1.508) 6.622 11.025 ( -5.576 0.000 -6.833) 8.819 11.236 ( 0.297 0.000 -5.852) 5.859 11.515 ( 3.492 0.000 -1.065) 3.651 11.696 ( 4.689 0.000 0.374) 4.704 12.813 ( -4.378 0.000 8.277) 9.363 13.312 ( 9.257 0.000 5.744) 10.894 13.717 ( 1.086 0.000 2.454) 2.684 13.768 ( -5.324 0.000 -3.092) 6.157 15.697 ( -7.127 0.000 -1.418) 7.267 16.156 ( -0.081 0.000 -2.542) 2.544 16.343 ( -4.538 0.000 3.538) 5.755 16.789 ( -11.684 0.000 8.421) 14.402 17.358 ( 8.658 0.000 -8.570) 12.182 17.802 ( 3.003 0.000 -5.242) 6.041 25.051 ( -3.968 0.000 -2.514) 4.698 25.065 ( 1.382 0.000 2.984) 3.289 26.129 ( -1.204 0.000 -0.370) 1.259 26.230 ( 2.387 0.000 2.690) 3.597 26.563 ( -2.880 0.000 -4.294) 5.171 26.956 ( 1.436 0.000 1.189) 1.865 28.085 ( -6.286 0.000 -5.250) 8.190 28.560 ( 6.155 0.000 6.149) 8.701 ======================= Grid point 126 (45/215) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -24.699 0.000 -15.283) 29.045 2.037 ( -34.620 0.000 -3.398) 34.787 2.873 ( 19.562 0.000 -3.687) 19.907 3.182 ( -14.842 0.000 -19.564) 24.557 3.585 ( -29.047 0.000 -5.205) 29.510 3.593 ( 21.837 0.000 -1.543) 21.891 4.264 ( -5.190 0.000 -5.600) 7.636 4.490 ( 29.594 0.000 1.954) 29.659 4.719 ( 1.920 0.000 10.755) 10.925 5.044 ( 14.473 0.000 -3.947) 15.001 5.558 ( 6.186 0.000 15.716) 16.890 5.590 ( 7.396 0.000 -11.455) 13.635 6.086 ( 8.433 0.000 -7.165) 11.065 6.407 ( -3.222 0.000 7.744) 8.388 6.623 ( 3.235 0.000 10.748) 11.224 6.670 ( -5.175 0.000 3.975) 6.525 7.081 ( -2.688 0.000 1.039) 2.882 7.354 ( -11.757 0.000 -1.722) 11.882 7.363 ( 2.494 0.000 -9.160) 9.494 7.459 ( 3.313 0.000 -4.683) 5.736 8.313 ( -2.602 0.000 2.632) 3.701 8.370 ( 7.185 0.000 0.326) 7.192 8.821 ( -0.843 0.000 8.387) 8.430 9.659 ( 3.764 0.000 -2.137) 4.328 10.363 ( -6.973 0.000 0.322) 6.980 10.372 ( 4.017 0.000 13.745) 14.320 10.888 ( -2.242 0.000 -3.368) 4.046 11.175 ( 1.253 0.000 -5.840) 5.972 11.562 ( 4.004 0.000 -1.304) 4.211 11.797 ( 3.347 0.000 6.025) 6.892 12.795 ( -5.519 0.000 1.329) 5.677 13.430 ( -2.177 0.000 -1.759) 2.799 13.706 ( 3.441 0.000 1.268) 3.667 13.785 ( 1.263 0.000 5.810) 5.946 15.601 ( -3.933 0.000 1.170) 4.104 16.123 ( 0.077 0.000 -2.660) 2.661 16.323 ( -3.718 0.000 3.555) 5.144 16.743 ( -9.984 0.000 14.008) 17.202 17.343 ( 5.964 0.000 -14.566) 15.740 17.758 ( -0.144 0.000 -5.901) 5.903 24.951 ( -4.196 0.000 -3.167) 5.257 25.108 ( 0.101 0.000 2.106) 2.108 26.103 ( -0.810 0.000 -1.486) 1.693 26.302 ( 2.595 0.000 2.499) 3.603 26.469 ( -2.489 0.000 -4.097) 4.794 26.976 ( -1.118 0.000 1.582) 1.937 27.941 ( -3.618 0.000 -5.299) 6.417 28.724 ( 4.901 0.000 6.453) 8.103 ======================= Grid point 127 (46/215) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -30.345 0.000 -5.887) 30.911 1.361 ( -40.942 0.000 -6.326) 41.428 2.215 ( -64.045 0.000 -7.682) 64.504 3.134 ( 15.335 0.000 0.481) 15.343 3.551 ( 6.371 0.000 0.761) 6.416 3.975 ( 24.981 0.000 -7.058) 25.959 4.049 ( -9.368 0.000 5.752) 10.993 4.895 ( 18.503 0.000 -1.634) 18.575 5.067 ( 17.036 0.000 12.748) 21.278 5.261 ( 16.458 0.000 -0.059) 16.459 5.571 ( 4.508 0.000 -7.247) 8.535 5.785 ( -1.039 0.000 10.732) 10.782 6.146 ( 16.402 0.000 -9.016) 18.717 6.342 ( -10.363 0.000 -2.509) 10.662 6.602 ( -3.892 0.000 1.472) 4.161 6.809 ( 4.237 0.000 3.884) 5.748 7.044 ( -12.082 0.000 2.935) 12.434 7.186 ( -2.451 0.000 -0.389) 2.481 7.306 ( 1.024 0.000 0.292) 1.065 7.453 ( 1.121 0.000 -3.745) 3.909 8.272 ( -1.809 0.000 -4.152) 4.529 8.453 ( 0.653 0.000 0.706) 0.961 8.907 ( 1.264 0.000 6.606) 6.726 9.661 ( -0.581 0.000 -0.281) 0.645 10.260 ( -5.491 0.000 -0.377) 5.504 10.475 ( -2.358 0.000 0.133) 2.362 10.945 ( 7.186 0.000 5.707) 9.176 11.145 ( 2.339 0.000 -3.962) 4.600 11.607 ( 4.152 0.000 -1.849) 4.545 11.961 ( 2.259 0.000 16.273) 16.429 12.648 ( -6.279 0.000 -12.393) 13.893 13.270 ( -9.207 0.000 -4.361) 10.187 13.838 ( 6.664 0.000 2.340) 7.062 13.882 ( 1.149 0.000 5.956) 6.066 15.617 ( 2.437 0.000 3.315) 4.115 16.100 ( 0.556 0.000 -2.157) 2.227 16.296 ( -4.516 0.000 2.261) 5.051 16.840 ( -4.479 0.000 22.596) 23.036 17.177 ( 0.208 0.000 -21.557) 21.558 17.670 ( -2.200 0.000 -4.860) 5.335 24.853 ( -3.162 0.000 -3.128) 4.447 25.120 ( -0.738 0.000 0.933) 1.190 26.064 ( -0.616 0.000 -3.563) 3.616 26.363 ( 2.161 0.000 1.006) 2.384 26.391 ( -2.574 0.000 -2.117) 3.333 26.959 ( -3.140 0.000 1.355) 3.420 27.857 ( -0.419 0.000 -3.041) 3.070 28.867 ( 3.922 0.000 6.002) 7.170 ======================= Grid point 128 (47/215) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -25.804 0.000 24.268) 35.423 0.699 ( -43.863 0.000 0.685) 43.868 1.236 ( -59.793 0.000 32.252) 67.937 3.376 ( 7.782 0.000 9.645) 12.393 3.654 ( 3.934 0.000 1.970) 4.400 3.915 ( -6.815 0.000 8.310) 10.747 4.428 ( 22.539 0.000 3.192) 22.764 5.012 ( 4.204 0.000 -8.394) 9.388 5.339 ( 10.989 0.000 -11.795) 16.121 5.490 ( 13.572 0.000 -4.965) 14.452 5.590 ( -2.901 0.000 6.044) 6.704 5.825 ( -0.787 0.000 -2.936) 3.040 6.152 ( -3.417 0.000 -2.585) 4.284 6.329 ( 7.709 0.000 -6.297) 9.954 6.538 ( -5.174 0.000 -2.681) 5.827 6.687 ( -9.482 0.000 -6.102) 11.276 6.848 ( -10.556 0.000 1.864) 10.719 7.198 ( -0.313 0.000 1.504) 1.536 7.310 ( -2.046 0.000 -8.694) 8.932 7.653 ( 15.140 0.000 22.604) 27.206 8.172 ( 2.834 0.000 -8.844) 9.287 8.381 ( -2.174 0.000 -9.462) 9.709 9.027 ( -0.790 0.000 11.667) 11.693 9.658 ( -0.805 0.000 2.678) 2.796 10.197 ( -2.130 0.000 0.523) 2.193 10.322 ( -11.478 0.000 -10.233) 15.378 11.130 ( 4.381 0.000 5.578) 7.092 11.143 ( 2.212 0.000 -3.095) 3.805 11.653 ( 4.201 0.000 -1.430) 4.438 12.121 ( -18.833 0.000 -36.593) 41.155 12.412 ( 12.989 0.000 28.097) 30.953 13.103 ( -5.731 0.000 -2.116) 6.110 13.869 ( -5.118 0.000 -10.473) 11.657 13.933 ( 2.751 0.000 1.012) 2.931 15.726 ( 4.670 0.000 3.264) 5.697 16.086 ( 0.102 0.000 -1.087) 1.091 16.229 ( -5.501 0.000 0.150) 5.503 16.640 ( -16.085 0.000 -29.673) 33.752 17.442 ( 21.811 0.000 45.294) 50.272 17.602 ( -0.609 0.000 -1.691) 1.797 24.791 ( -0.975 0.000 -0.346) 1.035 25.110 ( -0.846 0.000 -0.262) 0.886 25.996 ( -1.890 0.000 -1.437) 2.374 26.359 ( -0.931 0.000 4.254) 4.354 26.388 ( 1.071 0.000 -1.273) 1.664 26.915 ( -3.076 0.000 -0.141) 3.079 27.858 ( 1.469 0.000 1.547) 2.133 28.960 ( 1.418 0.000 -4.058) 4.299 ======================= Grid point 129 (48/215) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.313 16.807 22.495) 28.275 1.119 ( 6.941 19.632 33.949) 39.826 2.068 ( 1.891 47.939 50.299) 69.511 3.548 ( -2.856 1.520 2.909) 4.351 3.885 ( -4.764 -6.584 18.269) 19.995 3.982 ( 2.607 12.212 13.294) 18.239 4.634 ( 2.413 -4.415 -4.368) 6.663 4.699 ( -2.576 -10.656 -13.720) 17.562 5.088 ( 1.800 -10.815 -13.776) 17.606 5.412 ( -1.306 -9.029 -1.703) 9.281 5.486 ( 1.703 -6.255 3.816) 7.522 5.676 ( -4.763 -0.705 -2.229) 5.305 6.177 ( 4.571 -0.754 3.501) 5.807 6.247 ( -5.025 -2.242 3.229) 6.380 6.538 ( 0.899 5.038 -2.137) 5.546 6.753 ( 4.610 -0.236 4.753) 6.626 6.948 ( 0.005 7.409 -2.895) 7.954 7.104 ( -0.870 -3.788 0.439) 3.911 7.398 ( -1.216 10.902 -3.357) 11.472 7.553 ( -2.048 -12.011 -1.008) 12.226 8.072 ( 4.418 -1.165 -14.338) 15.048 8.373 ( 1.422 5.348 -17.733) 18.577 9.152 ( -6.452 -0.531 10.988) 12.754 9.692 ( 1.027 0.315 1.853) 2.142 10.006 ( 1.040 -3.809 2.524) 4.686 10.330 ( 3.134 2.202 -1.576) 4.142 11.106 ( -8.448 -2.064 -3.685) 9.445 11.191 ( 1.489 1.266 -1.394) 2.401 11.450 ( 0.833 1.291 2.570) 2.995 11.930 ( -2.579 12.767 -8.904) 15.778 12.601 ( 3.639 -9.356 12.441) 15.986 13.250 ( 3.814 -3.691 -4.847) 7.188 13.644 ( -1.799 -0.095 -0.445) 1.856 14.139 ( -1.292 8.908 -17.533) 19.708 15.741 ( -4.872 -4.909 -0.846) 6.968 16.031 ( -0.185 -2.496 0.282) 2.519 16.242 ( -2.521 5.383 -1.641) 6.166 16.436 ( 3.678 13.026 -4.706) 14.330 17.441 ( 4.469 -13.602 15.111) 20.817 17.790 ( -2.843 -5.304 6.600) 8.932 24.839 ( 1.304 2.078 1.862) 3.080 25.096 ( -0.351 0.482 -1.230) 1.367 26.060 ( 2.104 1.491 1.766) 3.125 26.342 ( 0.894 -0.322 -1.087) 1.444 26.524 ( 2.541 1.431 0.747) 3.011 26.845 ( -1.987 -1.567 -2.082) 3.277 27.796 ( 1.518 -6.772 12.175) 14.014 28.911 ( -4.067 6.008 -11.614) 13.694 ======================= Grid point 130 (49/215) ======================= q-point: ( 0.08 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 4.163 4.901 30.545) 31.214 1.686 ( 13.410 13.791 35.468) 40.348 2.969 ( 27.894 33.108 51.794) 67.504 3.451 ( -11.227 -7.331 -1.328) 13.474 3.940 ( -15.458 -2.572 8.967) 18.055 4.128 ( -3.333 5.264 5.739) 8.470 4.426 ( -4.274 -7.145 -17.446) 19.331 4.535 ( -9.822 -4.612 10.034) 14.779 4.928 ( -2.687 2.493 -6.183) 7.187 5.362 ( -11.269 -1.820 -5.665) 12.744 5.559 ( 10.550 -8.314 4.687) 14.226 5.734 ( -0.886 -10.381 11.350) 15.407 6.092 ( -8.423 -0.533 -2.100) 8.697 6.256 ( 4.552 6.442 -6.359) 10.132 6.519 ( 0.118 3.200 -4.754) 5.732 6.842 ( -1.872 -0.258 -3.170) 3.691 6.937 ( 2.459 2.930 2.383) 4.507 7.146 ( 0.680 -6.036 2.624) 6.617 7.288 ( 1.810 -3.749 -8.355) 9.335 7.546 ( 2.589 0.937 -1.211) 3.008 7.959 ( 6.045 0.811 -17.708) 18.729 8.204 ( 3.040 7.797 -14.402) 16.657 9.114 ( -11.603 -1.592 8.281) 14.344 9.697 ( -2.237 0.216 2.190) 3.138 10.107 ( 4.719 -7.556 0.919) 8.956 10.372 ( 3.452 3.392 -2.436) 5.418 10.892 ( -8.923 -7.354 -2.353) 11.800 11.214 ( 2.077 3.339 0.354) 3.949 11.557 ( 8.073 1.437 -0.326) 8.206 11.856 ( -1.166 10.861 -2.364) 11.177 12.742 ( 0.610 -6.415 5.902) 8.738 13.253 ( 4.678 -0.349 -3.125) 5.637 13.659 ( 1.094 -3.933 0.967) 4.195 13.948 ( -4.835 3.912 -7.465) 9.716 15.642 ( -7.490 -4.273 2.752) 9.052 16.004 ( -1.729 -5.038 -0.395) 5.341 16.229 ( 2.211 5.921 -2.107) 6.662 16.451 ( 4.725 11.666 -5.361) 13.681 17.639 ( 1.161 -8.191 9.619) 12.687 17.783 ( -0.941 -1.578 2.514) 3.114 24.897 ( 2.570 1.564 2.523) 3.926 25.073 ( 0.047 0.781 -2.172) 2.309 26.103 ( 1.297 0.871 1.043) 1.878 26.311 ( -0.616 0.819 -3.568) 3.713 26.601 ( 3.150 0.995 2.923) 4.411 26.817 ( 2.162 -1.840 -2.705) 3.922 27.973 ( 1.926 -5.045 11.205) 12.438 28.704 ( -5.444 4.276 -9.409) 11.681 ======================= Grid point 131 (50/215) ======================= q-point: ( 0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 15.557 0.364 23.996) 28.600 2.336 ( 16.180 13.296 31.629) 37.934 3.125 ( -16.321 -7.836 -13.238) 22.428 3.600 ( -23.731 -10.647 -2.280) 26.109 3.866 ( -3.280 12.179 -2.178) 12.800 4.134 ( 13.788 9.134 26.150) 30.942 4.225 ( 7.965 3.895 1.413) 8.978 4.655 ( -2.607 -2.685 14.831) 15.296 4.934 ( -10.205 8.013 10.218) 16.515 5.050 ( -10.650 -2.467 -0.126) 10.933 5.720 ( -10.358 -6.874 6.914) 14.225 5.810 ( -0.271 -5.266 8.786) 10.247 5.962 ( -0.720 -0.920 -4.747) 4.889 6.246 ( 0.724 6.895 -3.990) 7.998 6.409 ( -1.471 0.578 -8.793) 8.934 6.693 ( -6.023 1.539 -6.567) 9.043 6.964 ( 4.663 4.129 -7.139) 9.474 7.182 ( 5.083 -9.349 1.378) 10.730 7.351 ( 7.991 -9.973 -1.718) 12.895 7.568 ( 1.935 3.398 -1.322) 4.128 7.868 ( 8.636 2.008 -16.605) 18.824 8.122 ( 5.286 7.751 -12.067) 15.285 9.021 ( -11.995 -3.999 9.260) 15.672 9.694 ( -2.684 -3.045 3.122) 5.121 10.041 ( -8.219 -5.371 -8.488) 12.979 10.404 ( 2.587 2.401 2.314) 4.221 10.846 ( 3.120 -7.866 1.062) 8.528 11.264 ( 2.467 3.821 1.820) 4.899 11.652 ( 5.426 0.416 -2.297) 5.907 11.806 ( -2.382 10.782 -1.319) 11.121 12.775 ( -2.598 -0.457 3.371) 4.280 13.303 ( 3.376 -4.761 -3.820) 6.976 13.654 ( -1.504 -3.260 -1.085) 3.751 13.821 ( -2.496 3.377 -2.106) 4.698 15.602 ( -3.382 -5.174 5.525) 8.290 15.985 ( 0.127 -8.356 -0.174) 8.359 16.259 ( 4.522 7.208 -1.822) 8.702 16.460 ( 4.781 9.416 -4.892) 11.639 17.667 ( -3.814 -2.794 2.278) 5.249 17.877 ( 3.612 -1.354 5.095) 6.390 24.974 ( 3.138 0.774 2.271) 3.950 25.046 ( 0.245 1.323 -2.532) 2.867 26.132 ( 0.979 1.652 0.998) 2.164 26.257 ( -0.329 2.485 -3.748) 4.509 26.678 ( 0.992 1.362 4.455) 4.763 26.839 ( 4.686 -0.028 -3.255) 5.706 28.115 ( 0.095 -3.447 10.225) 10.791 28.515 ( -4.383 -0.391 -9.525) 10.493 ======================= Grid point 132 (51/215) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 15.752 -0.297 15.866) 22.359 2.683 ( -14.213 4.390 -5.012) 15.697 2.901 ( 9.236 2.593 11.833) 15.233 3.216 ( -17.496 -9.070 -4.253) 20.161 3.608 ( -6.953 5.578 -3.706) 9.653 4.053 ( 0.984 4.267 -16.599) 17.167 4.527 ( -13.893 -1.799 4.306) 14.656 4.873 ( -4.402 -4.132 7.540) 9.660 5.056 ( -6.465 9.252 12.779) 17.050 5.187 ( 20.684 7.574 28.794) 36.253 5.462 ( -18.193 0.984 6.365) 19.299 5.838 ( -0.474 -4.128 -3.851) 5.665 6.002 ( -2.725 0.735 6.041) 6.667 6.111 ( -5.014 2.437 -1.240) 5.711 6.366 ( 4.867 3.184 -5.260) 7.842 6.603 ( 0.405 1.301 0.763) 1.561 6.979 ( 9.322 -6.193 -8.783) 14.226 7.286 ( 5.005 -5.524 -0.149) 7.456 7.407 ( 2.139 0.355 -3.690) 4.280 7.606 ( 5.474 -5.343 -0.688) 7.681 7.839 ( 10.258 1.057 -13.297) 16.827 8.060 ( 4.916 6.902 -11.603) 14.368 8.976 ( -10.854 -6.763 13.159) 18.349 9.569 ( -16.565 -8.228 -5.971) 19.436 9.843 ( -2.408 0.739 -0.492) 2.567 10.487 ( 2.327 3.013 3.913) 5.459 10.945 ( 6.811 -8.637 0.182) 11.001 11.328 ( 1.871 2.764 2.810) 4.363 11.667 ( -0.225 1.456 -1.665) 2.223 11.764 ( 0.487 10.483 -2.688) 10.833 12.757 ( -4.437 2.780 3.375) 6.229 13.190 ( -6.846 -4.857 -7.925) 11.544 13.648 ( 1.462 -2.558 -0.373) 2.970 13.819 ( 2.643 4.015 0.432) 4.826 15.651 ( 0.085 -9.988 5.609) 11.456 16.013 ( 2.339 -9.096 1.551) 9.519 16.322 ( 5.472 8.578 -1.068) 10.231 16.509 ( 8.362 7.695 -3.760) 11.970 17.614 ( -4.316 -1.129 -0.366) 4.477 17.951 ( -0.999 -0.065 3.224) 3.376 24.994 ( -0.161 0.878 -2.783) 2.922 25.069 ( 3.104 1.137 1.806) 3.767 26.156 ( 0.857 2.658 0.350) 2.815 26.223 ( 0.530 4.642 -1.923) 5.053 26.735 ( -0.021 0.331 3.582) 3.597 26.873 ( 3.416 2.761 -2.228) 4.925 28.224 ( -0.535 -3.664 8.336) 9.121 28.345 ( -2.596 -2.922 -8.873) 9.696 ======================= Grid point 133 (52/215) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -13.690 5.411 0.893) 14.748 2.503 ( 2.649 3.296 6.104) 7.425 2.873 ( -8.600 -9.509 -9.995) 16.257 3.080 ( 2.002 1.884 2.367) 3.627 3.717 ( 5.334 5.703 7.839) 11.064 3.901 ( 5.621 13.318 -7.603) 16.333 4.438 ( -3.887 -9.014 2.247) 10.070 4.741 ( -9.739 -5.142 -7.852) 13.526 4.952 ( -16.673 7.533 5.102) 18.994 5.161 ( -10.105 -0.591 5.015) 11.296 5.623 ( -4.504 8.408 -4.484) 10.540 5.742 ( -2.701 4.635 -4.616) 7.077 6.097 ( 0.711 -1.253 2.494) 2.881 6.255 ( 12.790 1.186 19.183) 23.087 6.503 ( 8.949 -0.608 9.431) 13.016 6.654 ( 4.528 -1.100 0.498) 4.686 7.047 ( 6.102 -8.218 -1.500) 10.345 7.281 ( 1.184 -7.718 -8.604) 11.618 7.390 ( 2.226 4.934 -0.528) 5.439 7.694 ( 7.337 -2.555 -3.284) 8.435 7.887 ( 10.881 -0.240 -6.573) 12.715 8.030 ( 7.170 4.309 -8.548) 11.961 8.944 ( -14.561 -10.200 10.224) 20.508 9.161 ( -21.085 -4.112 -4.407) 21.930 9.871 ( -0.525 0.006 5.392) 5.417 10.555 ( 0.647 3.589 3.383) 4.974 11.035 ( 5.577 -10.781 -2.050) 12.310 11.375 ( -0.579 1.173 2.867) 3.151 11.637 ( -0.482 3.266 -1.420) 3.594 11.753 ( 2.275 10.360 -3.152) 11.065 12.722 ( -5.609 4.238 4.421) 8.304 12.996 ( -4.987 -1.616 -6.386) 8.262 13.657 ( 0.447 -2.630 -0.566) 2.727 13.885 ( 3.753 4.606 0.949) 6.017 15.709 ( 0.151 -15.513 3.352) 15.872 16.077 ( 2.076 -7.568 2.138) 8.134 16.413 ( 6.141 8.665 1.123) 10.679 16.630 ( 11.631 6.622 -3.077) 13.733 17.524 ( -5.739 -0.654 -1.082) 5.877 17.925 ( -4.139 1.226 -0.067) 4.317 24.955 ( -0.332 1.787 -2.530) 3.115 25.135 ( 2.434 0.486 1.378) 2.839 26.166 ( 0.861 4.274 -0.707) 4.417 26.228 ( 0.809 6.370 0.508) 6.441 26.761 ( -0.438 -0.703 1.569) 1.774 26.888 ( 0.644 4.013 -0.809) 4.144 28.204 ( -0.007 -4.686 -7.072) 8.484 28.325 ( -0.693 -3.412 6.366) 7.256 ======================= Grid point 134 (53/215) ======================= q-point: ( 0.42 0.11 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -13.500 9.441 4.629) 17.112 2.465 ( -8.718 -2.142 -0.521) 8.993 2.801 ( 6.959 3.302 -1.418) 7.832 3.108 ( 0.077 5.236 -1.302) 5.396 3.772 ( 8.728 3.380 -7.946) 12.278 4.020 ( -1.324 2.315 1.971) 3.316 4.409 ( 1.103 -2.398 -4.115) 4.889 4.522 ( -3.299 1.545 -5.075) 6.247 4.768 ( -10.494 -1.539 0.623) 10.624 5.104 ( -6.453 -2.713 7.470) 10.237 5.509 ( -1.647 10.187 -3.062) 10.764 5.666 ( 1.430 9.092 -2.681) 9.586 6.102 ( -3.396 -1.456 3.015) 4.769 6.462 ( 3.305 -4.234 -1.713) 5.638 6.693 ( 2.432 -2.222 0.714) 3.370 6.783 ( 6.105 -4.231 -0.177) 7.430 7.031 ( -3.639 -6.255 -1.263) 7.346 7.274 ( 4.004 -8.476 -3.125) 9.881 7.451 ( 6.295 4.587 -3.662) 8.607 7.775 ( 7.431 -0.061 -4.280) 8.575 8.041 ( 9.718 2.832 3.201) 10.616 8.098 ( 11.679 0.152 0.589) 11.695 8.643 ( -16.433 -7.561 -7.184) 19.463 8.965 ( -18.879 -4.198 15.685) 24.901 9.923 ( -2.329 -0.840 6.639) 7.085 10.585 ( -0.791 2.572 2.007) 3.357 11.074 ( 3.859 -11.834 -3.682) 12.980 11.380 ( -2.402 0.211 2.296) 3.329 11.614 ( 0.640 2.505 -3.239) 4.144 11.761 ( 2.570 12.139 -2.146) 12.592 12.701 ( -4.926 4.690 6.830) 9.639 12.906 ( -0.013 0.383 -2.192) 2.226 13.657 ( 0.449 -2.080 -0.477) 2.181 13.945 ( 1.794 5.441 1.506) 5.924 15.734 ( -0.765 -17.501 1.770) 17.607 16.111 ( 0.361 -6.519 0.283) 6.535 16.518 ( 3.293 8.373 2.221) 9.267 16.786 ( 11.462 4.884 -2.152) 12.643 17.417 ( -5.894 0.209 -0.917) 5.969 17.845 ( -3.031 1.561 -2.673) 4.332 24.935 ( 0.577 2.263 -0.851) 2.486 25.173 ( 0.933 0.208 0.437) 1.052 26.174 ( 0.931 5.626 -0.192) 5.705 26.246 ( 0.110 7.481 0.829) 7.528 26.762 ( -1.218 -1.013 0.718) 1.739 26.878 ( 0.005 3.247 -1.110) 3.432 28.163 ( 3.059 -4.285 -3.340) 6.235 28.365 ( -2.368 -3.827 3.647) 5.793 ======================= Grid point 135 (54/215) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -4.623 10.495 5.040) 12.527 2.388 ( 0.898 1.221 -0.078) 1.517 2.903 ( 3.146 3.272 1.497) 4.780 3.138 ( 4.575 7.621 3.055) 9.399 3.786 ( 3.190 1.478 -10.629) 11.195 3.824 ( -7.693 1.821 -11.540) 13.988 4.339 ( 0.416 4.927 -11.164) 12.210 4.491 ( 5.031 6.209 -5.706) 9.820 4.738 ( -0.836 -9.652 8.337) 12.781 5.084 ( -4.854 -4.175 5.115) 8.195 5.527 ( 3.547 8.326 -0.514) 9.065 5.707 ( 3.192 4.482 0.510) 5.526 6.085 ( -3.971 0.201 5.389) 6.697 6.419 ( -1.423 -2.119 -9.410) 9.750 6.581 ( -6.612 -4.189 -5.583) 9.614 6.757 ( -8.330 -0.461 -7.265) 11.063 7.020 ( 4.036 -8.080 1.350) 9.133 7.235 ( 0.047 -4.245 -4.639) 6.288 7.505 ( 2.807 -0.710 1.080) 3.090 7.769 ( 5.043 -2.619 -11.538) 12.862 8.122 ( 9.179 3.082 -7.786) 12.425 8.324 ( -6.217 -3.148 5.539) 8.901 8.612 ( 15.441 -4.090 12.103) 20.041 8.854 ( -16.055 -0.925 15.594) 22.401 9.955 ( -4.185 -1.940 7.869) 9.121 10.583 ( -1.929 1.656 1.426) 2.915 11.073 ( 2.298 -11.410 -4.703) 12.553 11.354 ( -2.218 -1.570 -1.010) 2.899 11.583 ( 0.395 4.472 -2.738) 5.259 11.774 ( 2.256 12.141 -2.098) 12.526 12.735 ( -3.232 4.787 9.373) 11.010 12.935 ( 3.567 -0.544 1.944) 4.099 13.663 ( 0.541 -0.835 0.149) 1.006 13.974 ( -0.685 6.202 1.665) 6.458 15.726 ( -2.135 -16.103 0.663) 16.258 16.100 ( -0.806 -7.360 -1.335) 7.524 16.545 ( -2.277 8.352 1.169) 8.736 16.914 ( 4.667 3.245 0.507) 5.706 17.335 ( -1.615 2.225 -1.717) 3.241 17.790 ( 1.384 0.508 -3.969) 4.234 24.956 ( 1.716 1.998 1.263) 2.921 25.173 ( -0.886 0.118 -0.611) 1.083 26.190 ( 0.574 5.964 0.742) 6.037 26.248 ( -0.573 7.637 0.389) 7.668 26.732 ( -2.754 -0.183 -0.628) 2.830 26.880 ( 2.251 1.663 -1.110) 3.011 28.219 ( 4.991 -4.015 1.442) 6.566 28.331 ( -4.649 -3.330 0.067) 5.719 ======================= Grid point 136 (55/215) ======================= q-point: (-0.42 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 5.433 7.739 3.433) 10.059 2.461 ( 3.567 5.502 1.602) 6.750 2.905 ( -0.033 3.699 -4.059) 5.492 3.244 ( -4.354 1.836 4.488) 6.517 3.551 ( -2.312 7.961 -5.818) 10.128 3.790 ( 10.699 7.427 -9.814) 16.308 4.217 ( 3.314 5.235 -10.965) 12.594 4.552 ( 15.119 4.074 -10.423) 18.810 4.804 ( -2.791 -11.649 4.176) 12.685 5.114 ( -1.006 -4.584 6.143) 7.730 5.455 ( -9.730 4.259 -10.911) 15.227 5.704 ( 1.749 -2.598 -7.024) 7.690 5.964 ( -17.312 -0.923 -9.801) 19.916 6.264 ( -2.375 3.652 10.212) 11.103 6.492 ( -2.380 0.467 5.791) 6.279 6.604 ( -1.009 0.485 -3.112) 3.307 7.096 ( 3.542 -7.709 -1.498) 8.615 7.231 ( 4.073 -6.179 -2.706) 7.880 7.532 ( -1.578 -4.262 1.994) 4.963 7.688 ( 0.618 -0.268 -10.105) 10.128 8.186 ( 11.984 1.804 -9.283) 15.266 8.295 ( -0.620 -1.359 0.637) 1.623 8.714 ( -14.666 -1.829 16.490) 22.144 9.132 ( 18.309 -3.044 11.259) 21.709 9.990 ( -4.803 -2.842 10.754) 12.116 10.557 ( -3.952 1.780 1.882) 4.725 11.033 ( 0.205 -9.825 -5.561) 11.291 11.284 ( -1.136 -1.972 -5.600) 6.045 11.571 ( 0.800 6.144 -0.941) 6.267 11.789 ( 2.588 11.110 -1.489) 11.504 12.801 ( -3.061 3.842 9.139) 10.375 13.062 ( 6.984 -2.797 5.262) 9.180 13.677 ( -0.000 0.794 1.403) 1.612 13.959 ( -2.953 7.165 0.757) 7.787 15.676 ( -4.335 -12.412 -0.701) 13.166 16.063 ( -1.252 -9.510 -1.491) 9.707 16.496 ( -4.979 8.201 1.419) 9.699 16.917 ( -7.311 2.915 4.293) 8.965 17.340 ( 6.586 3.025 -5.165) 8.900 17.787 ( 4.177 -0.800 -4.789) 6.405 25.011 ( 1.950 1.187 2.608) 3.466 25.132 ( -2.529 0.216 -1.630) 3.017 26.197 ( -1.271 5.232 0.659) 5.425 26.253 ( 0.663 6.863 1.118) 6.985 26.666 ( -2.667 0.995 -2.804) 3.996 26.917 ( 2.932 0.751 -0.178) 3.032 28.213 ( -6.470 -3.022 -2.747) 7.651 28.357 ( 6.036 -3.412 4.748) 8.404 ======================= Grid point 137 (56/215) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -8.632 10.600 -3.801) 14.189 2.443 ( -1.674 6.736 0.899) 6.999 2.814 ( -4.550 9.201 -4.079) 11.045 3.221 ( 4.991 -1.604 -1.391) 5.424 3.544 ( 6.720 10.458 -0.580) 12.444 3.975 ( 19.675 5.769 -8.854) 22.333 4.230 ( 6.654 1.404 -0.567) 6.824 4.571 ( -11.970 8.092 -19.310) 24.117 4.694 ( -5.608 -9.666 -6.065) 12.714 4.917 ( -6.556 0.020 -11.402) 13.153 5.256 ( -0.599 -6.722 10.367) 12.370 5.612 ( 2.347 -3.475 -9.566) 10.445 5.838 ( 4.534 -5.967 3.002) 8.073 6.379 ( -1.652 -3.151 6.210) 7.157 6.546 ( 1.194 7.896 4.032) 8.946 6.652 ( 0.311 1.457 10.787) 10.890 7.092 ( 0.889 -6.778 -4.143) 7.993 7.246 ( 1.417 -10.018 -3.333) 10.652 7.532 ( 2.375 0.697 -4.893) 5.483 7.548 ( -6.828 1.250 -1.883) 7.193 8.263 ( 3.123 -1.121 0.673) 3.386 8.323 ( 8.629 2.724 -5.751) 10.722 8.728 ( -7.374 -1.201 14.946) 16.710 9.470 ( 12.890 -5.311 2.518) 14.167 10.082 ( -1.590 -4.628 13.783) 14.626 10.506 ( -5.841 2.900 3.047) 7.198 10.940 ( -3.133 -6.644 -6.103) 9.550 11.207 ( 1.060 -1.617 -6.778) 7.049 11.584 ( 2.445 5.544 -1.320) 6.201 11.828 ( 2.993 9.552 0.885) 10.049 12.838 ( -4.024 1.730 5.969) 7.403 13.260 ( 8.551 -4.166 5.655) 11.066 13.682 ( -2.323 0.786 1.482) 2.866 13.922 ( -2.271 10.407 2.176) 10.872 15.580 ( -5.639 -9.005 -1.226) 10.695 16.035 ( -0.854 -10.387 -0.382) 10.429 16.438 ( -4.979 7.375 2.348) 9.203 16.833 ( -10.601 3.518 7.326) 13.358 17.372 ( 7.228 1.252 -9.617) 12.096 17.787 ( 3.136 -1.422 -5.446) 6.443 25.048 ( -2.881 0.074 -1.161) 3.107 25.078 ( 0.397 0.914 1.375) 1.698 26.170 ( -2.027 4.070 -0.380) 4.562 26.293 ( 1.238 5.238 2.557) 5.959 26.591 ( -1.655 2.806 -3.787) 4.996 26.954 ( 1.268 -0.177 0.324) 1.321 28.063 ( -6.338 -2.081 -4.655) 8.134 28.523 ( 6.193 -3.403 6.356) 9.505 ======================= Grid point 138 (57/215) ======================= q-point: (-0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -26.951 19.496 -1.415) 33.294 2.207 ( -27.213 15.194 -5.907) 31.722 2.897 ( 16.695 2.760 1.256) 16.968 3.302 ( -6.836 9.179 -16.513) 20.092 3.553 ( -16.289 1.495 -12.709) 20.714 3.753 ( 7.283 13.413 -0.305) 15.265 4.193 ( -7.356 -6.811 -8.045) 12.854 4.434 ( 14.867 -1.729 4.499) 15.629 4.749 ( 16.193 1.006 4.759) 16.908 4.948 ( 10.326 -7.581 -4.201) 13.481 5.389 ( 5.714 -11.828 1.606) 13.234 5.639 ( 5.257 -0.277 3.231) 6.176 5.952 ( 6.776 -7.333 -4.038) 10.770 6.375 ( -2.538 -5.522 3.353) 6.941 6.638 ( 1.528 4.505 3.858) 6.125 6.745 ( -1.880 2.174 5.571) 6.269 7.071 ( 0.783 -3.456 0.481) 3.576 7.198 ( -2.889 -10.750 -1.832) 11.281 7.374 ( -5.802 2.464 -5.744) 8.528 7.557 ( 1.912 5.938 -1.320) 6.376 8.289 ( -2.202 -2.263 2.659) 4.128 8.427 ( 9.055 5.114 -1.732) 10.542 8.812 ( -1.309 -1.384 9.715) 9.900 9.605 ( 4.992 -4.647 -1.438) 6.970 10.210 ( -1.561 -7.620 6.483) 10.126 10.485 ( -3.048 5.184 7.075) 9.285 10.822 ( -2.369 -5.400 -3.048) 6.638 11.158 ( 2.382 -0.975 -5.928) 6.462 11.606 ( 2.716 3.554 -2.521) 5.134 11.910 ( 3.250 7.651 4.869) 9.633 12.804 ( -5.630 0.928 0.402) 5.720 13.384 ( -0.745 -4.277 0.272) 4.350 13.664 ( 1.685 -1.551 0.486) 2.341 13.983 ( 1.915 15.042 8.900) 17.582 15.503 ( -2.413 -7.448 0.400) 7.839 16.024 ( -0.516 -8.663 0.040) 8.679 16.400 ( -4.440 5.567 3.873) 8.106 16.785 ( -8.441 3.844 10.745) 14.194 17.306 ( 3.132 -2.431 -16.632) 17.099 17.752 ( 0.430 -0.912 -5.071) 5.170 24.958 ( -3.938 0.832 -2.903) 4.962 25.112 ( 0.129 0.399 1.902) 1.948 26.130 ( -1.808 2.947 -1.196) 3.658 26.337 ( 0.247 2.558 2.052) 3.289 26.536 ( 0.015 5.987 -2.762) 6.593 26.959 ( -1.567 -1.530 0.936) 2.382 27.916 ( -4.588 -2.292 -5.201) 7.304 28.695 ( 5.994 -2.520 6.334) 9.077 ======================= Grid point 139 (58/215) ======================= q-point: (-0.17 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -29.879 24.467 7.631) 39.365 1.627 ( -33.507 20.983 -5.846) 39.965 2.336 ( -54.286 21.764 -15.308) 60.457 3.204 ( 15.655 6.591 3.312) 17.305 3.649 ( 12.224 5.003 -1.619) 13.307 3.942 ( -10.128 -8.357 -3.181) 13.511 4.018 ( 18.967 6.446 3.113) 20.273 4.775 ( 16.186 -7.441 1.478) 17.875 5.006 ( 13.688 -15.239 -3.068) 20.712 5.185 ( 16.757 0.708 6.860) 18.120 5.482 ( 5.407 -8.976 0.405) 10.486 5.699 ( -6.158 -7.405 1.365) 9.728 6.016 ( 9.960 -5.643 -0.448) 11.456 6.339 ( -5.603 -1.926 -2.899) 6.596 6.656 ( 0.189 3.040 -0.117) 3.048 6.764 ( -1.107 -2.433 -0.986) 2.849 7.095 ( -2.640 -4.794 2.949) 6.217 7.135 ( -6.801 -2.145 3.464) 7.928 7.283 ( 4.043 2.382 -1.920) 5.070 7.547 ( -0.622 7.702 -2.255) 8.050 8.254 ( -1.740 -1.718 -3.316) 4.121 8.528 ( 4.089 5.941 -0.794) 7.256 8.909 ( 1.150 -0.029 7.433) 7.522 9.641 ( 2.262 -3.512 -0.863) 4.265 10.166 ( -7.026 -5.324 0.704) 8.843 10.472 ( -4.934 0.414 -1.407) 5.147 10.901 ( 6.822 -3.145 8.867) 11.621 11.145 ( 3.208 -0.169 -3.596) 4.822 11.592 ( -0.011 -0.179 -3.873) 3.878 12.059 ( 4.617 5.257 10.236) 12.399 12.641 ( -10.145 1.560 -8.145) 13.104 13.290 ( -4.703 -1.929 -3.140) 5.975 13.723 ( 1.947 -4.835 0.963) 5.300 14.174 ( 8.359 17.452 7.551) 20.772 15.540 ( 4.768 -6.048 3.252) 8.360 16.014 ( -0.683 -6.201 -0.307) 6.246 16.388 ( -4.136 4.908 5.154) 8.231 16.839 ( -5.221 0.198 16.859) 17.650 17.054 ( -3.781 -4.661 -24.686) 25.405 17.696 ( -0.735 0.610 -2.758) 2.919 24.869 ( -2.943 1.740 -2.465) 4.215 25.124 ( -0.687 0.329 0.856) 1.146 26.084 ( -1.752 2.656 -1.959) 3.736 26.341 ( -1.082 0.455 0.145) 1.183 26.527 ( 1.021 7.955 -0.944) 8.076 26.934 ( -3.282 -2.155 1.701) 4.278 27.796 ( -4.053 -4.919 -3.598) 7.319 28.864 ( 7.074 -0.598 4.730) 8.531 ======================= Grid point 140 (59/215) ======================= q-point: (-0.08 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -35.218 19.748 0.549) 40.381 1.040 ( -27.486 28.983 -3.085) 40.063 1.764 ( -26.408 48.095 35.403) 65.298 3.452 ( 7.444 7.192 6.812) 12.391 3.793 ( 3.126 6.640 2.621) 7.793 3.830 ( -4.253 -3.181 9.105) 10.541 4.401 ( 21.366 -1.400 3.241) 21.655 4.848 ( 6.464 -14.297 -15.085) 21.766 5.198 ( 6.822 -12.088 -1.151) 13.928 5.401 ( 2.591 -10.064 -5.508) 11.762 5.486 ( -3.133 -8.090 1.775) 8.856 5.705 ( 6.363 -2.779 4.483) 8.265 6.163 ( -4.111 -1.219 -3.394) 5.468 6.189 ( 1.084 -6.065 4.613) 7.696 6.599 ( -7.071 0.748 -0.014) 7.111 6.702 ( 0.687 5.429 -3.267) 6.374 7.012 ( -4.304 6.331 -2.703) 8.119 7.124 ( -1.572 -5.209 2.039) 5.810 7.409 ( 5.122 3.244 -0.464) 6.081 7.525 ( -0.383 -1.002 5.311) 5.418 8.165 ( 1.113 -0.071 -9.733) 9.797 8.511 ( 3.769 5.841 -11.883) 13.768 9.042 ( 0.177 0.943 12.815) 12.851 9.662 ( 1.091 -2.311 -0.364) 2.582 10.054 ( -7.235 -3.824 0.714) 8.215 10.362 ( -3.666 -0.494 -3.137) 4.850 11.102 ( 5.301 -1.272 3.978) 6.749 11.179 ( 2.469 1.922 1.314) 3.394 11.514 ( -4.421 -4.174 -3.020) 6.789 12.215 ( -4.467 3.412 -13.164) 14.314 12.369 ( -3.701 1.976 11.786) 12.511 13.231 ( 2.596 -2.188 -3.478) 4.861 13.715 ( -3.545 -4.325 -0.409) 5.607 14.318 ( 10.191 13.024 -15.188) 22.454 15.712 ( 9.589 -3.592 2.194) 10.472 16.000 ( -0.581 -3.990 1.051) 4.167 16.365 ( -5.998 4.872 2.006) 7.983 16.590 ( -10.725 1.706 -20.897) 23.551 17.111 ( 2.274 -8.536 27.787) 29.157 17.702 ( 1.681 0.684 3.994) 4.387 24.820 ( -0.786 2.700 -0.149) 2.816 25.114 ( -0.842 0.357 -0.241) 0.946 26.036 ( -1.410 3.888 -0.419) 4.157 26.328 ( -0.141 0.365 0.389) 0.552 26.521 ( -0.354 5.189 -1.148) 5.326 26.900 ( -2.854 -1.308 0.348) 3.158 27.716 ( -4.748 -7.457 4.095) 9.743 29.002 ( 6.767 0.731 -3.897) 7.843 ======================= Grid point 141 (60/215) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -2.492 27.306 -1.837) 27.481 1.624 ( 4.826 28.912 17.222) 33.997 2.926 ( 2.109 28.311 37.983) 47.420 3.594 ( -5.001 0.095 -6.756) 8.406 3.664 ( -5.100 -8.252 15.148) 17.988 4.090 ( 6.697 -7.610 -0.514) 10.150 4.521 ( -1.082 -5.605 1.240) 5.841 4.663 ( 2.479 5.689 4.864) 7.885 4.934 ( 3.967 1.636 -9.462) 10.389 5.234 ( -5.824 -3.969 3.639) 7.932 5.364 ( 0.287 -3.328 5.862) 6.747 5.701 ( -1.257 1.842 -9.064) 9.334 6.089 ( 4.843 -9.782 6.336) 12.621 6.160 ( -4.299 -3.870 6.191) 8.472 6.594 ( 1.654 0.305 1.308) 2.131 6.769 ( -0.809 -1.786 1.772) 2.643 6.943 ( -3.087 -3.660 -1.238) 4.945 7.042 ( -3.076 -4.160 -1.466) 5.378 7.478 ( 2.903 6.668 -8.943) 11.527 7.628 ( 0.630 8.616 0.388) 8.648 8.077 ( 2.573 0.459 -11.625) 11.916 8.460 ( 2.118 3.722 -13.820) 14.469 9.086 ( -6.105 -5.834 5.773) 10.229 9.625 ( 2.604 -4.639 2.887) 6.052 10.073 ( -0.280 7.415 0.575) 7.443 10.298 ( 5.943 -4.098 -2.700) 7.708 11.048 ( -10.144 -3.766 -4.113) 11.576 11.170 ( 1.849 -3.131 -1.795) 4.055 11.525 ( 1.015 5.339 3.963) 6.726 12.116 ( -3.505 5.381 -5.404) 8.393 12.519 ( 3.899 0.180 5.367) 6.636 13.058 ( 2.095 -11.502 -0.446) 11.700 13.640 ( -0.112 -0.793 -1.023) 1.299 14.186 ( -2.224 -2.512 -16.055) 16.402 15.589 ( -2.641 -8.602 3.673) 9.719 16.020 ( -2.289 0.681 1.809) 2.996 16.369 ( -1.849 6.837 -1.690) 7.281 16.689 ( 5.748 10.899 -8.364) 14.892 17.272 ( 3.706 -3.430 13.913) 14.801 17.708 ( -2.416 -3.899 4.883) 6.700 24.895 ( 0.744 2.880 1.488) 3.326 25.115 ( -0.270 1.638 -1.166) 2.029 26.125 ( 0.148 4.351 -0.152) 4.356 26.354 ( 1.028 1.130 -1.838) 2.390 26.551 ( 0.645 1.354 0.776) 1.688 26.811 ( -1.853 -1.875 -1.844) 3.217 27.687 ( 1.922 -4.512 11.303) 12.321 28.952 ( -1.702 -0.622 -8.733) 8.919 ======================= Grid point 142 (61/215) ======================= q-point: ( 0.08 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 11.402 20.166 8.587) 24.706 2.002 ( 9.965 18.290 26.320) 33.565 3.271 ( -5.999 -11.251 -10.967) 16.818 3.577 ( 1.556 4.549 28.058) 28.467 3.785 ( -1.745 6.997 17.250) 18.696 4.094 ( 3.805 -4.931 -8.522) 10.556 4.405 ( -10.673 -1.317 11.334) 15.624 4.687 ( -10.406 16.712 -8.258) 21.349 4.956 ( 5.156 4.564 10.314) 12.401 5.274 ( 3.437 -6.871 4.371) 8.839 5.479 ( -4.467 1.859 5.004) 6.960 5.573 ( -3.055 -2.697 6.848) 7.969 6.063 ( -6.971 -2.637 2.457) 7.848 6.231 ( 2.417 -6.843 -2.132) 7.564 6.662 ( 3.383 3.678 -2.368) 5.530 6.773 ( 2.284 -4.369 -0.958) 5.022 6.872 ( -5.174 -5.443 0.705) 7.543 6.939 ( -4.541 -10.797 -3.467) 12.215 7.377 ( 1.802 10.976 -10.807) 15.508 7.667 ( 1.792 7.072 0.482) 7.312 7.982 ( 4.537 1.097 -13.053) 13.863 8.341 ( 4.050 6.645 -13.478) 15.563 9.015 ( -10.302 -7.900 4.773) 13.832 9.669 ( -1.317 -3.905 2.703) 4.928 10.077 ( -0.798 4.515 -0.875) 4.668 10.396 ( 9.398 -1.274 -4.695) 10.583 10.745 ( -13.261 -6.917 -4.535) 15.629 11.240 ( 3.968 -1.069 2.046) 4.590 11.594 ( 2.864 2.256 1.986) 4.152 12.046 ( -0.855 7.195 -2.218) 7.577 12.655 ( 6.024 -2.313 3.170) 7.189 13.110 ( 4.983 -11.022 -1.712) 12.217 13.630 ( 0.271 -0.236 -0.772) 0.851 13.985 ( -1.208 -0.349 -12.412) 12.476 15.570 ( -5.995 -2.470 5.532) 8.523 15.949 ( -6.121 -0.760 -0.692) 6.206 16.354 ( 1.679 6.363 -0.521) 6.601 16.670 ( 3.120 9.253 -7.553) 12.345 17.495 ( 2.893 -5.376 12.225) 13.665 17.730 ( 1.148 -3.502 2.715) 4.578 24.939 ( 1.868 2.214 2.169) 3.619 25.096 ( 0.077 1.642 -1.725) 2.383 26.140 ( 1.527 2.673 0.409) 3.105 26.330 ( 0.253 0.775 -3.233) 3.335 26.623 ( 5.040 1.142 2.049) 5.559 26.789 ( 2.339 -0.852 -2.050) 3.225 27.872 ( 2.275 -4.686 12.398) 13.448 28.756 ( -7.220 0.901 -10.633) 12.884 ======================= Grid point 143 (62/215) ======================= q-point: ( 0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 18.292 14.916 12.282) 26.607 2.522 ( 14.730 5.631 22.629) 27.582 2.981 ( -4.437 -7.524 -16.033) 18.258 3.393 ( -26.558 -5.921 1.977) 27.282 3.922 ( -1.285 -4.522 -13.498) 14.293 4.265 ( -3.385 8.440 -5.634) 10.697 4.402 ( 2.185 -8.322 20.062) 21.829 4.730 ( 12.288 17.903 26.336) 34.133 5.076 ( -10.390 8.958 2.529) 13.950 5.191 ( -6.890 14.197 10.592) 19.006 5.507 ( -6.548 -8.801 13.524) 17.413 5.779 ( 2.449 0.597 16.215) 16.410 5.961 ( -7.305 1.227 -1.842) 7.633 6.206 ( -0.286 -7.302 -1.002) 7.376 6.528 ( -4.115 3.656 -13.617) 14.688 6.693 ( -4.847 -2.466 -7.118) 8.958 6.869 ( 3.030 -6.797 -3.644) 8.286 6.957 ( 5.298 -13.067 4.712) 14.867 7.336 ( 6.617 7.754 -6.426) 12.050 7.658 ( -1.474 4.305 -2.363) 5.127 7.918 ( 6.338 2.574 -12.363) 14.129 8.266 ( 4.459 7.014 -11.713) 14.362 8.900 ( -10.905 -7.884 5.574) 14.565 9.638 ( -5.886 -2.696 -0.347) 6.483 9.965 ( -6.355 -1.870 -6.527) 9.300 10.434 ( 1.933 0.913 0.511) 2.198 10.680 ( 5.625 -8.792 -0.554) 10.452 11.317 ( 1.087 0.861 3.833) 4.076 11.652 ( 2.752 -0.351 -0.216) 2.783 12.012 ( -1.092 8.720 -0.999) 8.845 12.763 ( 3.536 -0.788 1.730) 4.015 13.140 ( 2.564 -10.384 -4.655) 11.665 13.629 ( 1.111 0.603 -1.111) 1.683 13.869 ( 1.539 1.150 -6.744) 7.012 15.532 ( -6.634 -1.184 4.149) 7.914 15.864 ( -3.883 -3.452 1.796) 5.497 16.406 ( 4.961 6.979 -0.042) 8.562 16.623 ( 2.270 6.413 -6.091) 9.132 17.598 ( -0.918 -3.775 3.252) 5.067 17.837 ( 4.370 -2.558 5.719) 7.638 24.998 ( 2.237 1.421 1.697) 3.147 25.079 ( 0.439 1.854 -1.568) 2.468 26.179 ( 2.435 2.804 0.759) 3.791 26.304 ( 1.489 1.761 -2.986) 3.773 26.718 ( 2.706 2.342 2.498) 4.365 26.839 ( 6.415 0.016 -1.513) 6.591 28.031 ( 0.423 -4.346 10.708) 11.564 28.504 ( -7.857 -0.642 -10.847) 13.409 ======================= Grid point 144 (63/215) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 17.064 10.296 11.032) 22.779 2.683 ( 0.472 -6.390 -8.953) 11.010 2.873 ( -9.881 2.072 -1.238) 10.171 3.177 ( -2.768 1.263 8.206) 8.751 3.659 ( -6.936 1.569 -5.593) 9.047 4.149 ( 8.815 1.776 -14.691) 17.225 4.536 ( -9.170 0.491 6.833) 11.446 4.858 ( -9.784 5.754 2.995) 11.739 5.140 ( -7.795 0.668 9.586) 12.374 5.399 ( -11.050 1.954 13.894) 17.860 5.544 ( 5.396 12.235 22.027) 25.769 5.781 ( -4.638 2.328 5.566) 7.610 6.051 ( 3.735 2.886 12.009) 12.903 6.174 ( -2.158 3.201 -3.268) 5.058 6.331 ( 0.738 -7.234 -9.762) 12.173 6.588 ( -2.175 -4.431 -0.509) 4.962 6.867 ( 5.236 -1.866 -6.645) 8.663 7.078 ( 4.100 -11.809 1.842) 12.636 7.415 ( 7.276 0.977 -2.611) 7.792 7.600 ( -0.285 2.331 -1.437) 2.754 7.885 ( 7.489 3.057 -11.125) 13.755 8.182 ( 2.732 5.572 -11.687) 13.232 8.823 ( -8.695 -7.514 7.090) 13.503 9.412 ( -14.950 -5.967 -8.113) 18.026 9.866 ( -1.700 0.518 1.270) 2.185 10.506 ( 1.997 -0.957 4.756) 5.246 10.775 ( 7.496 -8.452 -2.824) 11.645 11.359 ( -1.535 -0.339 3.736) 4.054 11.672 ( 0.858 -0.170 -1.005) 1.332 11.993 ( 0.109 10.574 -0.743) 10.601 12.808 ( -0.387 1.418 1.941) 2.435 13.070 ( -2.197 -6.405 -6.230) 9.202 13.643 ( 2.949 2.234 -2.533) 4.483 13.874 ( 4.467 1.259 -1.006) 4.748 15.456 ( -5.757 -8.405 0.494) 10.200 15.882 ( -0.160 -3.293 5.366) 6.297 16.489 ( 5.291 7.452 -0.468) 9.151 16.636 ( 7.221 4.958 -3.251) 9.343 17.580 ( -2.008 -2.153 -1.603) 3.352 17.940 ( 0.045 -1.137 4.583) 4.722 25.021 ( 0.406 1.769 -1.468) 2.334 25.096 ( 2.213 1.380 1.151) 2.851 26.231 ( 3.021 4.229 0.379) 5.211 26.313 ( 2.963 3.755 -1.173) 4.925 26.766 ( 0.813 2.771 1.238) 3.142 26.928 ( 4.736 2.240 0.229) 5.244 28.137 ( -1.174 -4.371 7.514) 8.772 28.274 ( -4.840 -3.584 -9.199) 10.995 ======================= Grid point 145 (64/215) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -9.889 0.542 5.886) 11.521 2.647 ( -5.130 5.659 0.074) 7.638 2.768 ( 11.641 7.250 -7.560) 15.660 3.123 ( 1.724 1.992 -1.033) 2.830 3.759 ( 7.035 -0.906 6.168) 9.400 4.137 ( 4.698 5.055 -9.861) 12.036 4.392 ( -9.172 5.219 0.263) 10.557 4.717 ( -5.605 3.981 -4.145) 8.028 5.048 ( -15.044 1.656 5.814) 16.213 5.193 ( -16.698 5.894 5.508) 18.545 5.706 ( 1.564 -4.708 1.389) 5.152 5.880 ( 0.794 11.077 -4.534) 11.996 6.082 ( -2.206 -2.800 -2.521) 4.366 6.271 ( 4.381 -0.692 8.529) 9.613 6.457 ( 6.965 -5.925 13.933) 16.665 6.600 ( 3.857 -0.423 4.503) 5.944 6.867 ( 0.192 -8.567 -2.592) 8.953 7.113 ( 2.133 -6.296 -3.867) 7.690 7.456 ( 2.312 0.767 1.796) 3.026 7.660 ( 7.655 -0.786 -2.670) 8.145 7.910 ( 7.983 1.236 -4.963) 9.481 8.110 ( 5.195 4.544 -8.836) 11.212 8.754 ( -10.603 -6.571 3.954) 13.086 9.068 ( -16.097 -4.071 -4.432) 17.185 9.887 ( -1.146 0.702 4.571) 4.765 10.577 ( -0.065 -1.974 3.756) 4.244 10.838 ( 5.712 -8.845 -4.006) 11.266 11.357 ( -2.608 -3.571 1.843) 4.790 11.661 ( -0.858 1.215 -0.530) 1.579 12.001 ( 1.756 11.738 -0.628) 11.885 12.805 ( -2.815 2.645 2.384) 4.539 12.976 ( -1.410 0.459 -3.159) 3.490 13.647 ( 2.054 2.025 -3.235) 4.334 13.964 ( 4.928 2.900 2.389) 6.197 15.383 ( -3.608 -15.646 0.099) 16.057 15.947 ( 0.224 -4.773 4.264) 6.404 16.575 ( 6.145 7.149 0.543) 9.443 16.753 ( 9.881 5.591 -1.526) 11.455 17.507 ( -3.066 -1.191 -3.409) 4.737 17.943 ( -3.658 0.311 1.189) 3.859 25.003 ( 0.117 2.802 -1.673) 3.266 25.147 ( 1.998 0.681 1.162) 2.409 26.280 ( 3.143 6.309 -0.331) 7.056 26.365 ( 3.438 6.255 0.746) 7.176 26.775 ( -0.476 2.251 0.057) 2.302 26.972 ( -0.024 3.955 0.541) 3.992 28.093 ( -0.812 -5.640 -6.733) 8.820 28.236 ( -1.009 -5.027 5.440) 7.475 ======================= Grid point 146 (65/215) ======================= q-point: ( 0.42 0.22 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -8.360 4.233 5.965) 11.108 2.478 ( -6.180 7.653 -3.353) 10.392 2.958 ( 11.615 11.701 0.410) 16.492 3.209 ( 4.665 5.997 -0.220) 7.601 3.829 ( 1.067 -0.283 -3.050) 3.244 4.020 ( -6.847 -1.210 -4.737) 8.413 4.362 ( 3.821 0.045 1.491) 4.102 4.626 ( -0.980 6.743 -6.507) 9.422 4.847 ( -6.847 8.363 -3.447) 11.345 5.083 ( -9.639 2.160 7.223) 12.237 5.706 ( 3.756 1.961 -6.884) 8.083 5.799 ( 0.132 7.591 -6.493) 9.990 6.087 ( -3.174 -0.310 8.163) 8.764 6.339 ( 1.241 -8.261 -0.798) 8.392 6.572 ( -0.794 -9.144 -0.053) 9.179 6.700 ( -0.561 -3.340 -1.812) 3.841 6.884 ( 0.657 -6.930 5.450) 8.841 7.109 ( 1.046 -6.421 -0.141) 6.507 7.542 ( 6.763 3.394 -3.746) 8.443 7.695 ( 3.238 -7.336 -7.891) 11.250 8.031 ( 8.200 -5.769 3.080) 10.488 8.163 ( 6.793 7.829 1.027) 10.416 8.561 ( -8.541 1.287 -3.249) 9.228 8.880 ( -13.218 -3.149 9.848) 16.781 9.916 ( -2.513 -0.284 4.742) 5.374 10.587 ( -1.467 -3.321 0.601) 3.680 10.870 ( 4.238 -8.428 -3.753) 10.152 11.329 ( -1.812 -5.747 -0.762) 6.074 11.643 ( -1.232 2.151 0.859) 2.624 12.020 ( 1.718 11.563 -1.253) 11.756 12.792 ( -2.666 2.679 3.321) 5.032 12.954 ( 0.033 5.243 0.549) 5.271 13.650 ( 2.132 1.985 -1.090) 3.111 14.060 ( 1.964 5.492 3.874) 7.002 15.351 ( -1.622 -19.201 1.556) 19.332 15.976 ( -0.982 -6.303 1.459) 6.544 16.681 ( 4.368 7.746 1.481) 9.015 16.883 ( 7.804 4.660 -0.744) 9.120 17.422 ( -1.759 -0.116 -3.593) 4.002 17.872 ( -3.769 0.894 -2.181) 4.445 24.993 ( 0.612 3.338 -0.654) 3.456 25.179 ( 0.766 0.367 0.320) 0.908 26.322 ( 2.527 8.193 -0.247) 8.578 26.421 ( 1.876 8.872 0.810) 9.104 26.760 ( -1.015 0.967 -0.352) 1.445 26.947 ( -2.022 3.336 -0.937) 4.012 28.055 ( 3.098 -5.887 -2.544) 7.122 28.268 ( -2.222 -5.262 3.653) 6.780 ======================= Grid point 147 (66/215) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -7.460 7.262 2.688) 10.753 2.462 ( 5.548 8.240 1.731) 10.083 3.051 ( 2.042 10.386 -0.910) 10.624 3.310 ( 3.499 9.127 5.218) 11.080 3.776 ( 0.018 -1.712 -8.246) 8.422 3.865 ( -1.259 0.617 -5.396) 5.575 4.451 ( 5.298 5.903 -8.645) 11.732 4.525 ( -3.536 -1.613 5.519) 6.750 4.799 ( 6.112 14.332 -7.954) 17.493 4.999 ( -7.939 -2.063 3.314) 8.846 5.617 ( -2.113 -5.686 -9.811) 11.535 5.812 ( 6.194 10.188 -5.142) 12.984 6.110 ( -4.866 0.890 5.467) 7.372 6.321 ( 0.170 -7.787 -0.794) 7.829 6.502 ( -0.993 -2.631 -3.700) 4.647 6.687 ( -4.093 -7.477 -3.080) 9.063 6.882 ( -4.146 -4.235 4.521) 7.454 7.107 ( -0.036 -5.887 -3.459) 6.828 7.472 ( -6.382 -4.781 -3.136) 8.568 7.685 ( 9.813 -4.092 -10.119) 14.678 8.131 ( 4.290 -6.754 -1.828) 8.208 8.253 ( 1.826 2.423 0.366) 3.056 8.608 ( 5.287 2.726 7.450) 9.533 8.858 ( -6.052 2.205 16.518) 17.729 9.921 ( -3.555 -1.677 4.649) 6.088 10.566 ( -1.027 -4.058 -0.289) 4.196 10.878 ( 2.685 -8.005 -4.268) 9.460 11.283 ( -0.674 -5.731 -3.460) 6.729 11.651 ( -0.463 3.078 2.450) 3.962 12.018 ( 0.666 10.657 -2.170) 10.896 12.806 ( -1.451 0.572 4.316) 4.589 12.978 ( 0.824 5.827 2.485) 6.388 13.694 ( 2.188 4.535 2.630) 5.680 14.108 ( -2.120 6.516 4.246) 8.061 15.367 ( -0.226 -18.180 3.353) 18.488 15.951 ( -2.399 -6.765 -1.205) 7.278 16.712 ( -1.868 8.029 0.378) 8.252 16.973 ( 2.066 2.729 1.832) 3.882 17.382 ( 2.291 1.641 -3.681) 4.636 17.797 ( 0.160 0.115 -4.860) 4.864 25.008 ( 1.190 2.997 0.699) 3.300 25.177 ( -0.806 0.272 -0.704) 1.105 26.350 ( 0.722 9.024 0.425) 9.063 26.430 ( -1.036 9.502 -0.327) 9.564 26.736 ( -1.333 0.670 -0.779) 1.683 26.917 ( 1.231 1.761 -2.022) 2.951 28.118 ( 4.275 -5.438 2.444) 7.336 28.246 ( -3.852 -4.576 1.011) 6.066 ======================= Grid point 148 (67/215) ======================= q-point: (-0.42 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.628 1.963 0.330) 2.088 2.629 ( 8.739 8.536 3.348) 12.667 3.078 ( 1.553 12.059 2.141) 12.346 3.300 ( -11.186 3.030 1.483) 11.684 3.650 ( -2.875 2.353 -3.417) 5.048 3.964 ( 17.465 8.705 -4.186) 19.958 4.369 ( 2.239 5.871 -10.170) 11.955 4.568 ( 1.265 -0.465 -0.638) 1.491 4.792 ( 4.647 11.364 -7.729) 14.507 4.964 ( -2.248 -7.260 3.349) 8.306 5.450 ( -1.821 -9.271 -11.208) 14.660 5.722 ( -1.066 8.148 -17.164) 19.029 5.994 ( -15.777 3.589 -7.502) 17.834 6.325 ( -6.105 3.101 6.311) 9.312 6.454 ( 4.700 -5.235 3.319) 7.779 6.612 ( -2.220 -0.923 5.739) 6.222 6.909 ( -0.080 -10.566 1.615) 10.689 7.047 ( 0.818 -8.390 -5.312) 9.964 7.426 ( 1.692 -6.385 1.046) 6.688 7.693 ( 2.103 0.536 -5.402) 5.822 8.170 ( 2.065 -4.357 0.529) 4.850 8.299 ( 8.351 2.636 -4.920) 10.044 8.663 ( -7.310 -2.437 9.275) 12.058 9.117 ( 10.626 1.662 12.749) 16.680 9.931 ( -3.039 -2.954 6.519) 7.776 10.547 ( -2.454 -3.187 1.428) 4.268 10.854 ( 1.935 -7.741 -5.694) 9.803 11.231 ( 0.675 -3.943 -5.146) 6.519 11.673 ( -0.529 3.938 2.243) 4.562 11.999 ( 0.483 9.068 -2.095) 9.320 12.832 ( -1.588 -2.102 3.385) 4.289 13.055 ( 3.992 3.017 4.477) 6.714 13.762 ( -0.803 7.457 5.319) 9.195 14.104 ( -3.977 6.705 4.549) 9.026 15.410 ( -0.247 -12.789 3.712) 13.319 15.879 ( -3.253 -7.540 -2.585) 8.609 16.656 ( -5.039 7.104 0.534) 8.726 16.970 ( -6.590 2.430 4.156) 8.161 17.399 ( 6.038 2.185 -5.611) 8.528 17.764 ( 3.730 -1.369 -6.436) 7.564 25.043 ( 1.196 1.974 1.741) 2.890 25.139 ( -2.092 0.437 -1.657) 2.704 26.341 ( -2.911 8.276 0.412) 8.782 26.404 ( -1.161 7.309 0.253) 7.405 26.699 ( -0.616 2.303 -2.375) 3.366 26.935 ( 3.128 0.855 -1.858) 3.737 28.139 ( -5.640 -3.778 -0.840) 6.841 28.271 ( 5.102 -4.683 5.237) 8.683 ======================= Grid point 149 (68/215) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 2.457 0.105 0.008) 2.459 2.723 ( -1.897 10.392 1.530) 10.674 2.992 ( -14.843 8.376 0.218) 17.044 3.231 ( 1.622 2.216 1.896) 3.337 3.691 ( 9.305 6.888 6.688) 13.370 4.103 ( 4.188 0.629 -12.281) 12.991 4.341 ( 6.422 9.785 -5.601) 12.975 4.546 ( 3.102 0.437 -7.623) 8.242 4.765 ( 4.935 5.484 -9.307) 11.876 4.945 ( -3.611 -2.142 -6.042) 7.357 5.162 ( -15.652 7.049 -12.587) 21.286 5.500 ( 6.289 -3.614 -6.780) 9.928 5.799 ( -0.743 0.296 0.042) 0.801 6.311 ( -4.045 -2.547 1.605) 5.042 6.595 ( 4.053 -4.718 3.694) 7.234 6.700 ( 0.643 2.344 8.799) 9.129 6.899 ( -0.577 -12.101 -0.675) 12.133 7.018 ( -0.133 -8.797 -1.235) 8.884 7.495 ( 3.127 -2.629 0.620) 4.132 7.639 ( -1.301 5.228 -1.938) 5.725 8.208 ( -0.405 -3.581 3.310) 4.893 8.405 ( 13.867 3.946 -7.327) 16.172 8.670 ( -6.701 -4.317 11.628) 14.098 9.386 ( 10.121 -2.751 3.099) 10.936 9.997 ( -0.248 -3.183 9.504) 10.026 10.525 ( -4.413 -1.239 4.762) 6.610 10.800 ( 0.373 -6.702 -7.020) 9.712 11.181 ( 1.540 -2.061 -6.123) 6.642 11.683 ( -0.787 3.666 0.968) 3.872 11.994 ( 1.378 6.726 -0.912) 6.926 12.835 ( -1.795 -2.606 1.830) 3.656 13.197 ( 5.847 -1.291 4.872) 7.719 13.750 ( -7.230 4.973 2.717) 9.186 14.139 ( -1.087 10.424 9.326) 14.029 15.421 ( -2.033 -5.667 0.441) 6.037 15.819 ( -1.275 -9.400 0.081) 9.486 16.579 ( -5.763 6.086 0.881) 8.428 16.901 ( -8.485 2.828 6.062) 10.805 17.400 ( 4.635 1.344 -9.952) 11.060 17.746 ( 3.222 -2.571 -6.287) 7.518 25.057 ( -2.540 0.749 -0.945) 2.812 25.099 ( 0.338 1.209 0.688) 1.432 26.281 ( -4.020 6.398 -0.368) 7.565 26.398 ( -1.621 4.558 1.794) 5.159 26.671 ( 0.871 4.800 -2.508) 5.485 26.949 ( 0.927 -0.358 -1.737) 2.002 28.012 ( -6.668 -2.626 -3.290) 7.886 28.441 ( 6.689 -4.259 6.880) 10.498 ======================= Grid point 150 (69/215) ======================= q-point: (-0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -18.639 11.926 3.595) 22.418 2.483 ( -25.627 10.194 -4.525) 27.949 2.980 ( 10.919 1.865 7.043) 13.127 3.332 ( 6.450 -1.748 1.391) 6.826 3.761 ( -19.353 5.019 -21.007) 29.000 3.994 ( 8.507 6.511 3.323) 11.216 4.170 ( -4.087 17.348 -14.672) 23.086 4.516 ( 2.910 -0.157 1.282) 3.184 4.690 ( 5.090 6.278 -9.399) 12.396 4.914 ( 16.125 2.334 -3.107) 16.587 5.153 ( 7.832 -7.756 2.554) 11.315 5.574 ( 2.743 -5.872 0.346) 6.490 5.859 ( 5.959 -2.157 -0.360) 6.347 6.273 ( -1.982 -3.985 3.142) 5.448 6.620 ( 1.475 -7.520 -6.018) 9.744 6.777 ( -0.400 0.205 1.546) 1.610 6.911 ( -0.905 -11.313 4.777) 12.313 7.018 ( -1.594 -3.119 4.169) 5.446 7.472 ( -2.664 4.855 -1.947) 5.870 7.669 ( 3.770 5.334 0.395) 6.544 8.225 ( -2.169 -3.814 2.587) 5.093 8.537 ( 11.550 3.622 -5.590) 13.333 8.746 ( -1.579 -4.425 12.634) 13.480 9.497 ( 5.224 -5.734 -3.798) 8.636 10.125 ( 1.105 -0.573 7.692) 7.792 10.548 ( -2.161 0.337 6.845) 7.186 10.704 ( -1.270 -5.555 -4.591) 7.318 11.140 ( 2.435 -1.788 -5.894) 6.623 11.666 ( -1.879 2.170 -0.544) 2.922 12.029 ( 3.054 4.300 1.195) 5.408 12.814 ( -3.007 -0.742 0.282) 3.110 13.294 ( -1.611 -3.435 2.340) 4.458 13.650 ( -3.820 0.047 -0.808) 3.905 14.273 ( -0.371 11.427 13.525) 17.710 15.378 ( -0.627 -4.053 -1.900) 4.520 15.848 ( 1.673 -7.249 3.169) 8.086 16.499 ( -6.052 4.547 2.089) 7.852 16.872 ( -4.543 3.840 6.498) 8.810 17.286 ( -0.192 0.789 -15.315) 15.337 17.714 ( 0.782 -2.883 -4.479) 5.383 24.984 ( -3.189 1.564 -2.231) 4.194 25.124 ( 0.233 0.914 1.506) 1.777 26.217 ( -3.342 5.308 -0.342) 6.282 26.388 ( -1.981 2.410 1.154) 3.326 26.667 ( 0.811 6.146 -0.820) 6.253 26.922 ( -2.113 -1.885 -0.653) 2.906 27.858 ( -6.701 -3.164 -4.792) 8.825 28.638 ( 8.295 -2.890 6.089) 10.688 ======================= Grid point 151 (70/215) ======================= q-point: (-0.17 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -32.572 11.884 -0.932) 34.685 2.069 ( -23.271 25.158 3.973) 34.500 2.984 ( -27.364 24.239 -13.861) 39.096 3.314 ( 15.729 -2.525 7.780) 17.728 3.596 ( 5.191 0.612 3.856) 6.495 3.845 ( 0.171 0.419 -10.004) 10.014 4.284 ( 7.791 14.290 2.528) 16.471 4.573 ( 7.926 -13.052 -10.119) 18.319 4.833 ( 13.554 6.984 7.221) 16.871 5.117 ( 10.324 -7.145 -1.050) 12.599 5.355 ( 9.672 -2.742 1.198) 10.124 5.530 ( -4.929 -7.187 1.066) 8.779 5.964 ( 5.947 -1.561 3.138) 6.903 6.277 ( -3.479 -3.910 -2.546) 5.820 6.595 ( 3.927 -9.398 -1.904) 10.362 6.720 ( -4.034 -3.320 -1.414) 5.412 6.964 ( -1.328 -4.838 5.457) 7.412 7.055 ( -0.563 -1.719 3.831) 4.237 7.434 ( 2.631 8.702 -3.172) 9.628 7.699 ( -0.298 6.500 -0.775) 6.552 8.203 ( -1.043 -3.430 -1.659) 3.950 8.611 ( 3.934 -0.408 -3.357) 5.188 8.905 ( 3.475 0.293 9.979) 10.571 9.507 ( 3.726 -7.737 -4.288) 9.598 10.164 ( -3.814 3.892 3.104) 6.271 10.455 ( -5.455 -2.339 -7.916) 9.894 10.839 ( 7.967 -2.999 12.087) 14.784 11.125 ( 3.361 -2.504 -3.665) 5.567 11.606 ( -3.808 1.737 -1.909) 4.600 12.120 ( 4.368 1.277 3.764) 5.906 12.714 ( -8.970 3.921 -2.675) 10.149 13.197 ( -8.238 -4.954 -1.184) 9.685 13.641 ( 1.950 -3.461 -0.931) 4.080 14.404 ( -0.591 4.572 7.605) 8.893 15.405 ( 5.028 -7.172 1.458) 8.880 15.918 ( 2.330 -2.459 2.477) 4.196 16.453 ( -4.731 3.464 4.610) 7.459 16.886 ( 0.057 3.777 -2.121) 4.333 17.070 ( -4.232 4.424 -9.500) 11.302 17.675 ( -0.874 -2.518 -1.130) 2.895 24.917 ( -2.237 2.620 -1.514) 3.763 25.136 ( -0.402 1.103 0.746) 1.391 26.170 ( -2.323 5.372 -0.169) 5.855 26.366 ( -1.311 1.764 -0.156) 2.203 26.654 ( -2.197 4.455 -0.601) 5.004 26.888 ( -2.721 -2.076 1.914) 3.921 27.694 ( -6.744 -4.834 -3.993) 9.209 28.839 ( 9.571 -1.803 3.225) 10.259 ======================= Grid point 152 (71/215) ======================= q-point: (-0.08 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -13.487 25.394 7.422) 29.695 1.711 ( -15.794 33.425 -11.685) 38.771 2.667 ( -16.696 31.868 22.451) 42.407 3.529 ( -1.306 -4.735 10.508) 11.599 3.718 ( -0.241 4.873 2.570) 5.515 3.887 ( 15.329 -7.209 -1.765) 17.031 4.423 ( 10.832 -2.723 -4.230) 11.943 4.589 ( 4.602 -2.927 -1.519) 5.662 5.068 ( 0.495 4.272 0.102) 4.302 5.174 ( 0.827 -7.987 -1.405) 8.151 5.336 ( 0.201 -6.545 2.829) 7.133 5.688 ( 12.956 -1.086 0.397) 13.007 6.057 ( -5.899 -7.216 -0.464) 9.332 6.130 ( -2.342 -2.260 3.016) 4.437 6.592 ( -2.428 -1.477 0.361) 2.865 6.735 ( 1.553 -4.850 3.586) 6.228 6.982 ( -1.851 -2.252 1.660) 3.355 7.074 ( -0.721 -2.356 0.675) 2.554 7.472 ( 6.588 7.036 -4.578) 10.671 7.655 ( -2.264 7.550 -1.557) 8.035 8.157 ( 1.560 -1.255 -7.038) 7.317 8.576 ( 1.343 0.171 -9.146) 9.245 9.052 ( -0.021 -0.947 8.519) 8.572 9.544 ( 4.706 -5.931 -0.521) 7.589 10.107 ( -4.208 5.543 -0.205) 6.963 10.308 ( -1.780 -3.465 -4.801) 6.182 11.048 ( 4.807 -3.920 2.188) 6.577 11.185 ( 3.046 -2.464 3.317) 5.133 11.519 ( -3.590 4.072 -1.018) 5.523 12.216 ( 0.705 -1.978 1.048) 2.347 12.502 ( -9.036 8.546 -2.008) 12.598 13.081 ( -3.865 -9.150 -1.222) 10.008 13.650 ( 0.509 -2.685 -0.911) 2.880 14.384 ( -1.586 -3.179 -8.910) 9.592 15.534 ( 4.472 -11.565 3.911) 13.002 15.981 ( 1.955 0.698 2.905) 3.571 16.431 ( -4.087 4.932 1.429) 6.562 16.747 ( 1.571 9.143 -13.848) 16.668 17.084 ( 0.664 2.706 10.900) 11.251 17.676 ( -1.072 -2.601 3.923) 4.827 24.884 ( -0.702 3.189 0.050) 3.266 25.131 ( -0.564 1.478 -0.282) 1.607 26.138 ( -1.345 5.795 -0.294) 5.956 26.352 ( 0.400 1.688 -0.742) 1.887 26.588 ( -4.092 2.157 -0.755) 4.687 26.865 ( -3.136 -2.068 0.768) 3.834 27.598 ( -3.105 -4.805 3.375) 6.642 28.982 ( 6.637 -2.084 -2.687) 7.457 ======================= Grid point 153 (72/215) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -1.807 21.813 -7.719) 23.209 2.197 ( 3.750 26.091 7.633) 27.442 2.957 ( -3.498 -15.363 23.267) 28.100 3.458 ( -8.108 -13.007 -12.583) 19.831 3.691 ( 1.180 3.437 16.817) 17.206 3.897 ( 11.315 -7.144 -0.233) 13.384 4.512 ( -8.657 -4.210 13.186) 16.326 4.679 ( 15.503 8.087 -1.703) 17.568 5.063 ( -3.150 3.056 0.618) 4.432 5.223 ( -5.377 -1.292 -2.360) 6.013 5.522 ( 5.376 9.493 6.324) 12.610 5.756 ( -0.700 7.198 -4.994) 8.789 5.938 ( -1.190 4.015 9.617) 10.489 6.105 ( -3.382 -1.028 3.702) 5.118 6.508 ( 0.928 -10.815 3.606) 11.438 6.680 ( -2.387 0.545 1.287) 2.767 6.885 ( -2.433 -2.699 -3.129) 4.795 7.086 ( -1.913 7.272 -3.483) 8.287 7.602 ( 2.432 3.034 -4.648) 6.060 7.730 ( 0.507 -0.316 0.043) 0.599 8.058 ( 1.003 -1.795 -6.590) 6.903 8.469 ( -1.304 -6.095 1.167) 6.341 8.985 ( -0.207 -0.087 -6.162) 6.166 9.563 ( 0.397 -2.531 -0.400) 2.593 10.125 ( 12.209 -4.470 -5.671) 14.184 10.280 ( -2.709 4.499 -0.204) 5.256 10.971 ( -7.817 -2.983 -3.078) 8.915 11.091 ( 0.543 -4.130 -1.520) 4.435 11.633 ( -2.647 4.791 4.983) 7.402 12.153 ( -0.567 -0.709 -1.112) 1.436 12.553 ( 2.694 1.158 -1.720) 3.399 12.875 ( 0.187 -5.301 -1.978) 5.661 13.620 ( 1.115 -0.914 -0.621) 1.570 14.105 ( -2.811 -4.424 -11.107) 12.281 15.438 ( 0.805 -5.906 8.548) 10.421 16.037 ( -3.401 0.795 3.558) 4.986 16.495 ( -1.858 5.213 -1.879) 5.845 16.860 ( 5.911 5.994 -9.863) 12.967 17.266 ( 2.840 2.264 8.186) 8.955 17.620 ( -2.780 -4.865 4.234) 7.023 24.939 ( 0.348 1.447 1.239) 1.936 25.162 ( -0.194 2.689 -1.268) 2.979 26.214 ( -0.657 4.125 -1.753) 4.530 26.376 ( 0.480 0.775 -3.493) 3.610 26.582 ( 0.707 1.756 0.306) 1.918 26.768 ( -0.900 -2.418 -1.154) 2.827 27.613 ( 1.528 -2.782 11.682) 12.106 28.922 ( -0.982 -1.883 -6.867) 7.188 ======================= Grid point 154 (73/215) ======================= q-point: ( 0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 11.654 18.930 0.222) 22.231 2.404 ( 4.221 19.602 14.276) 24.614 3.039 ( -8.379 -8.757 -6.912) 13.952 3.267 ( -1.756 -22.504 10.148) 24.749 3.986 ( 6.675 3.858 1.943) 7.951 4.002 ( 0.892 -2.899 10.158) 10.601 4.475 ( -7.806 3.106 10.399) 13.369 4.749 ( -7.213 -6.638 -8.124) 12.732 5.159 ( 15.495 5.991 12.470) 20.772 5.237 ( -0.724 3.057 7.704) 8.320 5.608 ( -9.393 6.879 -1.537) 11.744 5.694 ( 1.057 12.374 10.480) 16.250 5.964 ( -4.789 -3.493 5.538) 8.113 6.137 ( 0.225 3.438 2.137) 4.054 6.554 ( 0.143 -7.409 3.556) 8.219 6.635 ( -1.730 -6.271 -5.654) 8.619 6.808 ( -6.531 -1.608 3.011) 7.369 6.990 ( -1.577 10.276 -5.825) 11.917 7.556 ( -0.207 4.614 -5.946) 7.529 7.731 ( 0.189 -2.592 -2.081) 3.329 8.004 ( 1.478 2.131 -4.959) 5.596 8.449 ( -0.473 -0.285 -1.822) 1.904 8.871 ( -3.819 -1.273 -6.893) 7.982 9.563 ( -0.007 -6.789 1.329) 6.918 10.187 ( -3.726 4.307 -6.255) 8.459 10.318 ( 14.646 -5.957 -4.167) 16.351 10.654 ( -16.212 -1.043 -6.305) 17.426 11.176 ( 4.333 -4.589 3.991) 7.467 11.645 ( -2.205 2.539 3.645) 4.959 12.143 ( 0.332 2.827 -0.244) 2.857 12.630 ( 7.926 -0.795 -1.273) 8.066 12.901 ( 6.356 -8.525 -4.253) 11.452 13.629 ( 0.349 0.265 0.724) 0.846 13.950 ( 0.937 -2.495 -11.849) 12.145 15.548 ( -1.812 0.222 10.671) 10.826 15.945 ( -9.273 -0.135 -0.895) 9.317 16.478 ( 2.068 5.625 -0.749) 6.039 16.809 ( 1.161 4.601 -8.790) 9.989 17.431 ( 2.750 -0.973 9.508) 9.946 17.647 ( 2.424 -4.655 2.979) 6.035 24.973 ( 1.387 1.100 1.914) 2.607 25.140 ( -0.201 2.460 -1.719) 3.008 26.201 ( 1.607 3.163 -1.214) 3.750 26.335 ( 0.650 -0.394 -3.771) 3.846 26.648 ( 5.685 1.357 1.228) 5.972 26.774 ( 3.598 -0.886 -1.647) 4.055 27.795 ( 1.597 -2.745 13.337) 13.710 28.753 ( -7.080 -0.776 -9.800) 12.115 ======================= Grid point 155 (74/215) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 19.064 16.271 5.902) 25.749 2.570 ( -2.041 -1.824 3.248) 4.248 2.931 ( 7.184 6.650 2.218) 10.037 3.297 ( -10.458 -8.230 3.812) 13.843 3.865 ( -1.640 0.765 -10.582) 10.736 4.203 ( -4.339 -7.352 8.390) 11.969 4.332 ( -4.587 -1.687 -3.345) 5.923 4.835 ( 7.344 -5.595 13.542) 16.390 5.224 ( -7.347 1.395 2.951) 8.039 5.400 ( -2.411 3.932 5.460) 7.147 5.682 ( 2.955 17.213 17.370) 24.632 5.807 ( -1.780 4.415 13.486) 14.302 5.963 ( -1.623 -9.992 0.594) 10.140 6.114 ( -6.872 10.453 5.964) 13.858 6.454 ( -4.874 -4.825 -9.691) 11.872 6.582 ( -1.881 -6.532 -3.997) 7.885 6.762 ( -3.034 -3.550 5.189) 6.981 6.973 ( 3.384 12.664 1.246) 13.168 7.480 ( -0.495 4.159 -5.057) 6.566 7.676 ( -1.363 -3.202 -4.624) 5.788 7.977 ( 2.355 3.688 -5.554) 7.070 8.398 ( -2.041 2.444 -4.730) 5.702 8.747 ( -2.646 -3.502 -3.145) 5.400 9.563 ( -3.370 -5.323 -1.260) 6.425 9.940 ( -7.789 -1.499 -12.529) 14.828 10.464 ( -0.150 2.486 0.401) 2.523 10.501 ( 7.912 -8.299 -1.831) 11.611 11.272 ( -0.281 -5.110 5.432) 7.463 11.657 ( -0.262 1.050 1.937) 2.218 12.154 ( 0.605 5.532 0.663) 5.604 12.739 ( 6.017 -1.655 -0.057) 6.241 12.940 ( 6.663 -8.385 -6.842) 12.709 13.659 ( 2.086 1.949 1.283) 3.130 13.865 ( 4.572 -1.330 -9.568) 10.687 15.556 ( -10.226 3.210 1.472) 10.819 15.827 ( -4.473 -0.982 5.316) 7.017 16.536 ( 5.120 5.892 0.186) 7.808 16.712 ( -0.031 2.412 -6.779) 7.196 17.527 ( 0.837 -2.994 2.311) 3.873 17.780 ( 5.398 -2.932 6.303) 8.801 25.023 ( 1.919 1.030 1.872) 2.872 25.118 ( 0.057 1.928 -1.529) 2.461 26.237 ( 3.774 2.779 -0.091) 4.688 26.323 ( 2.952 0.219 -2.694) 4.002 26.761 ( 5.302 1.826 1.727) 5.867 26.838 ( 6.844 -0.226 -1.228) 6.957 27.957 ( 0.022 -2.774 11.379) 11.712 28.491 ( -9.599 -0.553 -11.047) 14.645 ======================= Grid point 156 (75/215) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -2.130 0.390 6.510) 6.861 2.589 ( 13.861 6.788 0.764) 15.452 3.042 ( 1.338 10.384 -7.549) 12.908 3.220 ( -1.006 5.502 6.483) 8.562 3.681 ( -2.485 0.520 -8.403) 8.778 4.109 ( 5.554 -4.331 -6.885) 9.850 4.487 ( 2.194 -5.531 10.894) 12.413 4.984 ( -1.750 -0.545 2.240) 2.895 5.120 ( -10.987 1.668 2.778) 11.455 5.413 ( -8.628 3.035 11.666) 14.824 5.687 ( -16.355 -1.394 8.448) 18.461 5.923 ( 3.501 2.029 -0.017) 4.047 5.986 ( -0.719 -10.371 -2.756) 10.755 6.128 ( 3.551 3.549 4.025) 6.435 6.376 ( 1.279 4.519 3.584) 5.908 6.486 ( -5.305 2.831 4.757) 7.667 6.786 ( -2.594 -6.964 2.809) 7.945 7.096 ( 5.517 14.214 4.388) 15.866 7.416 ( -2.320 -1.992 -1.980) 3.643 7.626 ( 1.756 0.282 -2.270) 2.884 7.939 ( 2.650 1.907 -7.499) 8.179 8.275 ( -3.796 1.200 -5.664) 6.923 8.724 ( 1.480 -0.086 -0.693) 1.636 9.334 ( -12.605 -2.381 -11.313) 17.104 9.825 ( 1.426 -5.251 -1.620) 5.678 10.479 ( -1.479 -0.947 4.715) 5.031 10.613 ( 8.735 -6.990 -4.029) 11.891 11.284 ( -4.844 -6.777 3.769) 9.143 11.682 ( 0.675 1.177 1.317) 1.891 12.177 ( 0.957 7.706 0.980) 7.827 12.801 ( 0.334 -1.728 2.282) 2.881 12.962 ( 6.644 -3.869 -6.380) 9.991 13.717 ( 5.375 4.202 -2.960) 7.437 13.872 ( 5.831 -1.198 -2.378) 6.410 15.331 ( -12.215 -4.009 -4.718) 13.694 15.872 ( -3.298 1.484 8.106) 8.876 16.609 ( 4.229 4.319 -0.673) 6.082 16.719 ( 8.475 3.503 -2.292) 9.453 17.530 ( -0.413 -2.662 -2.126) 3.431 17.908 ( 1.340 -1.898 5.111) 5.614 25.061 ( 0.945 2.037 -0.167) 2.252 25.119 ( 1.408 0.797 0.468) 1.685 26.311 ( 5.132 3.458 0.225) 6.193 26.366 ( 5.133 1.577 -0.870) 5.440 26.831 ( 2.244 3.224 0.216) 3.933 26.953 ( 6.319 0.218 1.397) 6.476 28.063 ( -1.404 -2.775 8.089) 8.666 28.217 ( -7.713 -1.909 -10.381) 13.073 ======================= Grid point 157 (76/215) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -6.564 0.411 5.758) 8.741 2.705 ( -0.447 1.185 -3.605) 3.822 3.111 ( 14.507 19.665 -4.831) 24.910 3.225 ( 6.640 11.397 -0.197) 13.192 3.740 ( 6.857 -0.434 2.324) 7.253 4.119 ( -0.100 -3.469 -4.563) 5.733 4.511 ( -6.675 3.104 -1.366) 7.487 4.845 ( -5.756 7.032 -2.854) 9.525 5.058 ( -7.758 -3.294 4.640) 9.621 5.312 ( -15.264 2.477 4.162) 16.013 5.607 ( 0.189 -1.079 5.554) 5.661 5.846 ( 0.820 -16.091 -10.155) 19.045 6.045 ( 2.699 0.033 -1.250) 2.975 6.136 ( 4.191 -6.554 -5.369) 9.453 6.505 ( -6.763 5.608 14.295) 16.779 6.568 ( 1.776 1.637 14.235) 14.439 6.739 ( -4.629 -6.225 -0.965) 7.817 7.113 ( -3.421 3.347 -3.653) 6.020 7.454 ( 3.297 3.118 6.344) 7.800 7.659 ( 3.274 0.284 -1.342) 3.550 7.880 ( 1.587 -3.699 -7.307) 8.343 8.228 ( 2.386 5.081 1.843) 5.908 8.732 ( 1.117 4.902 -3.515) 6.134 9.016 ( -10.814 -1.209 -8.145) 13.592 9.849 ( 1.511 -5.851 0.333) 6.053 10.500 ( -2.198 -4.067 2.740) 5.374 10.683 ( 5.140 -6.495 -2.381) 8.618 11.230 ( -4.662 -8.119 0.954) 9.410 11.698 ( -0.786 1.974 1.316) 2.500 12.201 ( 0.795 7.933 0.395) 7.982 12.821 ( -1.624 0.129 3.082) 3.486 13.007 ( 5.562 1.337 -2.377) 6.195 13.734 ( 4.021 5.947 -5.647) 9.134 13.994 ( 6.811 -0.049 4.327) 8.069 15.112 ( -8.809 -10.698 -3.046) 14.189 15.887 ( -4.140 -1.452 4.915) 6.588 16.702 ( 7.437 5.573 0.912) 9.338 16.857 ( 9.857 4.535 -0.973) 10.894 17.471 ( -1.902 -2.366 -4.158) 5.149 17.936 ( -2.657 -0.932 1.610) 3.244 25.060 ( 0.477 2.746 -1.037) 2.973 25.159 ( 1.665 0.360 1.111) 2.033 26.397 ( 5.622 4.953 -0.278) 7.498 26.459 ( 6.356 3.040 0.713) 7.082 26.841 ( -0.784 3.667 -0.475) 3.780 27.031 ( 0.441 1.621 1.482) 2.240 28.001 ( -2.600 -3.140 -7.267) 8.333 28.143 ( -1.286 -3.772 5.342) 6.665 ======================= Grid point 158 (77/215) ======================= q-point: ( 0.42 0.33 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.212 5.880 2.852) 6.539 2.645 ( 1.270 5.651 -3.643) 6.843 3.245 ( 6.369 15.843 -4.573) 17.677 3.402 ( 8.491 12.895 3.021) 15.732 3.797 ( -2.409 -0.721 2.017) 3.223 3.964 ( -8.616 -3.099 -4.772) 10.325 4.442 ( 3.970 6.174 -1.888) 7.579 4.718 ( -5.274 3.067 -6.146) 8.660 5.014 ( 0.887 4.384 -0.141) 4.475 5.139 ( -8.085 -1.136 -1.624) 8.324 5.647 ( -0.996 -1.229 -7.284) 7.453 5.829 ( 6.591 -8.858 1.230) 11.109 6.016 ( 0.426 -11.113 -4.279) 11.916 6.187 ( 4.754 1.759 -0.275) 5.077 6.497 ( -11.269 1.333 10.269) 15.304 6.624 ( -5.586 -3.837 -2.241) 7.138 6.752 ( 0.570 -6.062 10.113) 11.805 7.030 ( -4.250 -3.877 1.600) 5.971 7.547 ( 4.349 0.250 -2.842) 5.201 7.631 ( -0.815 1.703 -7.310) 7.550 7.884 ( 3.364 -6.967 1.925) 7.972 8.338 ( 2.086 7.145 3.862) 8.385 8.658 ( 0.273 6.534 -4.096) 7.716 8.874 ( -3.335 3.726 2.267) 5.490 9.866 ( 0.327 -6.323 -0.276) 6.337 10.473 ( -2.243 -5.969 -0.397) 6.389 10.723 ( 2.436 -6.572 -0.943) 7.072 11.175 ( -2.043 -8.289 -1.179) 8.618 11.697 ( -1.413 2.715 2.148) 3.739 12.206 ( 0.280 6.810 -0.922) 6.878 12.823 ( -2.112 1.751 2.172) 3.499 13.065 ( 3.114 3.771 -0.328) 4.902 13.750 ( 3.670 7.918 -0.400) 8.736 14.144 ( 3.072 2.267 6.236) 7.311 14.999 ( -3.815 -14.993 1.439) 15.538 15.871 ( -3.515 -3.974 2.790) 5.994 16.835 ( 6.356 7.578 1.102) 9.951 16.974 ( 5.897 4.325 -1.038) 7.386 17.395 ( -0.263 -2.713 -4.326) 5.113 17.877 ( -3.641 -0.354 -2.188) 4.263 25.059 ( 0.666 2.955 -0.597) 3.087 25.187 ( 0.603 0.315 0.303) 0.745 26.476 ( 4.771 6.685 -0.581) 8.234 26.566 ( 5.343 4.923 0.611) 7.291 26.801 ( -2.920 2.884 -0.834) 4.188 26.999 ( -3.674 1.508 -1.126) 4.128 27.950 ( 2.730 -4.048 -1.696) 5.169 28.174 ( -2.003 -3.755 3.741) 5.667 ======================= Grid point 159 (78/215) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -6.021 9.657 0.307) 11.384 2.658 ( 6.406 9.186 -2.727) 11.526 3.245 ( 5.800 6.295 -6.054) 10.485 3.456 ( -5.164 2.808 -1.292) 6.019 3.767 ( -5.203 1.836 3.014) 6.287 3.888 ( 7.856 6.136 -1.517) 10.083 4.521 ( 2.010 2.399 0.238) 3.138 4.618 ( 3.814 7.933 -5.949) 10.624 4.943 ( -5.700 0.863 -3.161) 6.575 5.097 ( 4.529 4.574 -4.406) 7.800 5.456 ( -8.414 -6.945 -9.735) 14.622 5.871 ( 6.132 -6.667 -14.816) 17.365 6.064 ( 6.372 -4.378 5.904) 9.728 6.264 ( 3.253 4.277 1.433) 5.562 6.448 ( -10.694 -2.905 9.927) 14.878 6.527 ( -3.522 -6.485 -0.663) 7.409 6.804 ( -7.595 -4.404 7.309) 11.424 7.022 ( 0.650 -5.320 1.393) 5.537 7.407 ( -6.391 4.159 -10.578) 13.040 7.630 ( 6.591 -1.849 -3.721) 7.792 7.976 ( 3.376 -6.187 3.737) 7.978 8.319 ( -4.029 -0.039 1.119) 4.181 8.708 ( 7.851 8.402 -7.458) 13.706 8.941 ( 0.432 5.388 14.479) 15.455 9.854 ( -0.705 -6.331 -0.584) 6.397 10.445 ( 0.307 -6.214 -1.053) 6.310 10.734 ( 0.702 -6.588 -1.342) 6.760 11.137 ( -0.071 -7.730 -2.463) 8.114 11.711 ( -1.010 2.667 3.257) 4.329 12.188 ( -0.138 6.100 -2.321) 6.528 12.805 ( -2.364 0.757 0.961) 2.662 13.092 ( 1.358 3.699 -0.391) 3.960 13.845 ( 2.931 9.852 6.307) 12.059 14.212 ( -3.825 3.175 6.243) 7.980 15.035 ( 1.955 -13.942 6.865) 15.663 15.841 ( -3.214 -4.066 0.741) 5.236 16.867 ( -2.609 7.328 -1.278) 7.882 17.033 ( 1.866 3.391 0.890) 3.971 17.379 ( 3.819 -2.138 -3.494) 5.600 17.793 ( -0.420 -0.528 -5.718) 5.757 25.068 ( 0.809 2.733 0.123) 2.853 25.182 ( -0.807 0.226 -0.754) 1.127 26.522 ( 1.312 7.565 -0.254) 7.682 26.601 ( -1.638 6.897 -1.097) 7.173 26.756 ( -0.536 1.113 -0.984) 1.580 26.939 ( 0.498 0.176 -2.898) 2.946 28.022 ( 3.942 -3.675 3.800) 6.594 28.164 ( -3.377 -3.275 1.871) 5.063 ======================= Grid point 160 (79/215) ======================= q-point: (-0.42 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -5.621 6.066 -1.893) 8.484 2.763 ( 6.166 4.996 -0.139) 7.937 3.225 ( -0.483 1.287 -6.364) 6.510 3.333 ( -4.273 -1.363 -3.175) 5.496 3.770 ( 1.013 10.149 3.372) 10.742 4.079 ( 11.875 3.084 1.904) 12.415 4.453 ( -3.241 6.742 -3.966) 8.467 4.666 ( 3.695 3.778 -3.416) 6.293 4.817 ( -1.813 1.106 -7.516) 7.810 5.070 ( -1.093 5.126 -6.163) 8.091 5.254 ( 0.922 -8.227 -8.842) 12.112 5.784 ( 5.676 0.764 -15.084) 16.134 6.173 ( -6.349 6.864 -4.387) 10.328 6.296 ( 2.154 -8.018 2.564) 8.689 6.365 ( -4.508 0.825 2.215) 5.090 6.534 ( -6.107 -5.216 14.779) 16.820 6.735 ( -6.261 -4.285 2.480) 7.982 7.002 ( 1.774 3.587 -7.650) 8.633 7.316 ( 3.291 -2.541 1.654) 4.474 7.687 ( 3.398 -1.092 -0.721) 3.641 8.079 ( 3.463 -3.565 3.882) 6.306 8.297 ( -2.907 -6.038 4.807) 8.247 8.687 ( 4.624 6.718 -10.181) 13.045 9.161 ( 6.594 1.654 9.597) 11.761 9.857 ( 0.290 -4.890 3.014) 5.751 10.455 ( 1.001 -4.749 0.335) 4.865 10.718 ( 0.396 -5.937 -2.676) 6.524 11.112 ( 1.139 -7.225 -3.330) 8.036 11.733 ( -1.683 2.031 3.430) 4.327 12.150 ( -0.155 5.867 -3.335) 6.751 12.777 ( -1.924 -1.805 0.384) 2.666 13.123 ( 2.534 2.581 1.150) 3.795 13.930 ( -4.909 7.694 7.042) 11.527 14.218 ( -4.168 4.550 8.883) 10.816 15.196 ( 4.801 -7.952 9.573) 13.339 15.779 ( -3.603 -2.665 -2.368) 5.068 16.774 ( -6.059 4.550 -0.788) 7.618 17.023 ( -5.661 2.852 2.116) 6.683 17.413 ( 5.502 -0.773 -4.192) 6.959 17.735 ( 3.295 -1.410 -8.186) 8.936 25.086 ( 0.530 2.084 0.801) 2.295 25.147 ( -1.705 0.259 -1.546) 2.316 26.498 ( -5.018 6.454 0.197) 8.178 26.525 ( -3.829 4.818 -0.782) 6.204 26.753 ( 2.261 2.786 -2.304) 4.264 26.943 ( 3.333 -0.318 -3.349) 4.736 28.079 ( -4.884 -1.898 0.883) 5.313 28.184 ( 4.519 -3.692 5.997) 8.368 ======================= Grid point 161 (80/215) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 3.083 0.459 -0.126) 3.120 2.791 ( -2.007 0.522 -1.399) 2.502 3.043 ( -14.247 -3.444 -3.535) 15.078 3.311 ( 4.879 2.975 -2.050) 6.071 3.869 ( -0.678 6.880 7.191) 9.975 4.083 ( -3.510 1.949 -6.980) 8.052 4.443 ( -0.504 5.018 1.784) 5.350 4.629 ( 8.477 -0.169 -11.643) 14.403 4.819 ( 10.269 5.854 -5.236) 12.928 4.953 ( 0.030 2.797 -8.747) 9.183 5.244 ( 5.144 -4.920 -5.757) 9.155 5.628 ( -2.165 9.309 -18.338) 20.679 5.925 ( -9.351 14.633 0.230) 17.368 6.269 ( -5.834 -1.778 1.753) 6.346 6.448 ( 5.574 -6.766 0.416) 8.776 6.609 ( -2.021 -9.426 2.690) 10.009 6.723 ( -1.504 -1.895 9.638) 9.938 6.990 ( 2.546 4.312 0.047) 5.008 7.432 ( 5.063 -3.650 3.025) 6.936 7.721 ( 1.232 2.427 1.055) 2.920 8.143 ( -0.872 -2.933 2.880) 4.202 8.348 ( 1.176 -11.575 4.858) 12.608 8.668 ( 6.598 6.341 -5.674) 10.767 9.330 ( 7.952 -3.883 -1.696) 9.010 9.958 ( 3.470 -0.922 9.467) 10.125 10.474 ( -0.712 -3.011 2.548) 4.009 10.683 ( 0.212 -4.817 -4.335) 6.484 11.088 ( 1.529 -6.786 -4.497) 8.283 11.733 ( -3.328 1.582 3.211) 4.887 12.112 ( 0.706 5.054 -3.404) 6.134 12.762 ( -0.569 -3.422 0.563) 3.514 13.198 ( 3.522 0.760 2.824) 4.578 13.837 ( -12.796 2.996 3.186) 13.522 14.311 ( -2.920 6.091 13.848) 15.408 15.367 ( 3.218 0.174 5.327) 6.226 15.689 ( -1.735 -3.641 -2.503) 4.747 16.682 ( -5.168 4.210 0.161) 6.668 16.940 ( -7.653 1.036 3.875) 8.641 17.422 ( 3.225 0.735 -7.231) 7.951 17.690 ( 2.940 -2.859 -8.033) 9.019 25.072 ( -2.530 0.638 -1.267) 2.900 25.127 ( 0.644 1.397 0.646) 1.669 26.402 ( -5.814 4.989 -0.187) 7.664 26.471 ( -3.886 2.847 1.125) 4.947 26.765 ( 2.164 4.166 -1.992) 5.099 26.936 ( 0.642 -1.060 -3.448) 3.664 27.968 ( -7.480 -1.547 -2.046) 7.908 28.367 ( 7.682 -2.903 7.314) 10.997 ======================= Grid point 162 (81/215) ======================= q-point: (-0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -8.206 0.848 -1.118) 8.325 2.665 ( -9.153 7.120 -2.083) 11.782 2.847 ( -4.514 -10.479 4.890) 12.413 3.342 ( -5.668 -5.159 -2.439) 8.043 3.704 ( -0.389 2.779 -8.899) 9.331 4.166 ( -0.921 10.354 0.309) 10.399 4.422 ( -1.438 -1.303 0.693) 2.061 4.549 ( 2.921 1.493 -5.928) 6.776 4.845 ( 2.614 10.444 -10.289) 14.892 5.061 ( 18.645 6.830 -2.569) 20.023 5.226 ( 7.908 7.829 -9.121) 14.388 5.456 ( -1.148 -1.636 -4.791) 5.191 5.895 ( 0.085 8.445 2.642) 8.850 6.221 ( -4.539 -0.619 5.158) 6.898 6.458 ( 1.428 -6.060 -7.424) 9.689 6.598 ( 0.627 -10.180 -0.196) 10.202 6.844 ( -1.175 -0.144 11.112) 11.175 7.052 ( 1.646 5.802 3.657) 7.053 7.512 ( 2.240 -1.348 1.235) 2.891 7.764 ( 3.268 3.503 -0.353) 4.804 8.140 ( -3.243 -5.687 2.938) 7.175 8.401 ( 0.667 -14.539 1.419) 14.623 8.785 ( 10.203 7.254 1.614) 12.622 9.374 ( 5.624 -6.936 -7.527) 11.679 10.162 ( 6.106 3.509 8.207) 10.814 10.499 ( -0.776 -4.216 2.497) 4.961 10.627 ( -0.451 -2.242 -1.497) 2.733 11.053 ( 1.564 -6.492 -5.215) 8.473 11.707 ( -4.605 2.010 3.145) 5.928 12.101 ( 2.227 3.034 -2.224) 4.372 12.765 ( -0.554 -3.423 0.569) 3.514 13.267 ( -1.786 0.263 3.711) 4.127 13.660 ( -9.785 0.705 -0.239) 9.813 14.408 ( -6.933 2.464 14.221) 16.012 15.351 ( -1.722 1.248 -6.467) 6.808 15.749 ( 5.284 -3.166 5.350) 8.159 16.606 ( -4.690 6.370 0.548) 7.929 16.912 ( -1.984 -0.195 4.301) 4.740 17.331 ( -1.271 3.363 -10.056) 10.680 17.639 ( 0.661 -4.352 -5.009) 6.668 25.011 ( -2.654 0.917 -1.559) 3.212 25.151 ( 0.654 1.582 1.182) 2.080 26.323 ( -4.382 4.697 0.588) 6.451 26.430 ( -2.977 1.647 1.070) 3.566 26.764 ( -0.894 3.435 -0.488) 3.583 26.890 ( -1.518 -1.275 -2.079) 2.873 27.801 ( -8.855 -2.305 -4.200) 10.068 28.587 ( 9.983 -2.038 5.719) 11.684 ======================= Grid point 163 (82/215) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -15.980 11.657 -2.398) 19.925 2.524 ( -11.109 15.717 3.471) 19.557 2.961 ( -13.221 -13.513 7.262) 20.252 3.112 ( 8.916 -12.772 -3.326) 15.927 3.706 ( -0.041 1.121 -10.275) 10.336 3.984 ( -1.924 12.660 -3.043) 13.162 4.389 ( -2.488 -4.511 -1.288) 5.311 4.671 ( 1.183 21.036 -4.658) 21.578 4.829 ( 12.936 -8.520 4.172) 16.041 5.220 ( 6.108 0.656 -5.347) 8.144 5.355 ( 3.743 12.053 -3.045) 12.983 5.466 ( 13.537 0.880 4.001) 14.143 5.936 ( -0.292 2.013 3.772) 4.286 6.206 ( -5.892 -1.272 0.841) 6.086 6.400 ( 1.905 -8.299 -2.420) 8.852 6.616 ( 0.612 -3.985 2.185) 4.585 6.931 ( -0.043 0.552 4.878) 4.909 7.108 ( 0.289 6.402 2.695) 6.952 7.560 ( 4.060 2.636 -0.982) 4.939 7.782 ( 0.190 1.050 -2.288) 2.525 8.121 ( -0.972 -4.666 -0.101) 4.767 8.423 ( -0.686 -16.777 3.119) 17.078 8.963 ( 7.936 5.127 1.067) 9.508 9.384 ( 7.087 -4.885 -4.771) 9.841 10.240 ( 0.736 2.074 -5.179) 5.627 10.416 ( -6.004 -0.112 -2.897) 6.667 10.783 ( 8.696 -2.315 11.063) 14.261 11.029 ( 2.806 -6.482 -3.536) 7.899 11.666 ( -5.007 3.732 2.981) 6.920 12.128 ( 2.889 -0.146 -0.431) 2.925 12.733 ( -4.307 -2.085 -0.587) 4.821 13.169 ( -13.580 2.196 1.566) 13.845 13.585 ( 1.433 -2.031 -1.892) 3.124 14.406 ( -9.408 -2.633 6.826) 11.918 15.278 ( 1.841 -4.724 -3.479) 6.149 15.892 ( 4.495 -0.917 4.162) 6.195 16.564 ( -2.851 6.890 2.445) 7.848 16.941 ( 3.450 1.227 -4.087) 5.487 17.188 ( -3.549 6.879 -4.286) 8.848 17.601 ( -1.052 -4.771 -0.323) 4.896 24.959 ( -1.894 1.436 -0.823) 2.516 25.170 ( 0.291 2.025 0.639) 2.143 26.277 ( -2.684 4.806 0.879) 5.574 26.402 ( -1.227 1.622 -0.103) 2.036 26.709 ( -4.658 1.201 -0.937) 4.901 26.860 ( -2.304 -0.587 1.491) 2.806 27.610 ( -8.010 -3.365 -3.721) 9.451 28.800 ( 10.058 -1.873 2.414) 10.512 ======================= Grid point 164 (83/215) ======================= q-point: (-0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.599 22.334 2.673) 22.502 2.297 ( -11.063 22.619 -11.238) 27.573 2.809 ( -13.518 -9.350 19.977) 25.870 3.451 ( 15.696 -14.637 7.505) 22.736 3.558 ( -2.117 -6.234 0.068) 6.584 3.919 ( -2.630 8.229 -11.119) 14.080 4.397 ( -0.123 -6.671 8.791) 11.036 4.613 ( 2.170 11.245 -4.622) 12.350 5.076 ( 4.966 -1.559 -0.517) 5.231 5.219 ( 0.873 -5.431 5.774) 7.975 5.402 ( 7.871 12.902 -3.091) 15.426 5.724 ( 8.943 11.724 2.862) 15.021 5.931 ( -6.795 -2.169 1.241) 7.240 6.104 ( -3.581 0.701 2.991) 4.718 6.445 ( 2.170 -12.344 2.153) 12.716 6.670 ( -0.814 1.151 5.284) 5.469 6.946 ( 0.124 -0.950 -2.892) 3.046 7.122 ( -0.918 6.407 0.576) 6.498 7.603 ( 4.076 4.296 -3.720) 6.993 7.738 ( -1.617 -0.960 -0.854) 2.066 8.104 ( 2.184 -3.616 -5.140) 6.653 8.455 ( -1.201 -13.312 4.194) 14.008 9.024 ( 2.660 0.576 -3.679) 4.576 9.497 ( 8.089 0.067 0.263) 8.093 10.121 ( 1.423 -3.866 -11.641) 12.348 10.329 ( -4.686 5.127 1.519) 7.111 10.962 ( 3.477 -4.047 1.141) 5.456 11.102 ( 4.287 -4.635 2.854) 6.928 11.629 ( -4.030 5.662 3.583) 7.819 12.163 ( 1.053 -2.938 0.035) 3.121 12.616 ( -6.347 1.116 -2.632) 6.961 12.969 ( -9.769 -0.379 -0.993) 9.827 13.604 ( 2.486 -1.839 -1.436) 3.409 14.283 ( -6.772 -5.515 -4.977) 10.052 15.329 ( 3.053 -8.056 4.025) 9.509 15.991 ( 1.940 0.244 4.305) 4.729 16.547 ( -2.795 5.564 0.802) 6.278 16.896 ( 4.813 5.328 -11.586) 13.631 17.169 ( 0.041 5.482 4.319) 6.979 17.605 ( -1.975 -4.455 4.400) 6.566 24.934 ( -0.813 1.653 0.233) 1.857 25.174 ( -0.033 2.494 -0.359) 2.520 26.248 ( -1.702 4.682 -0.381) 4.996 26.390 ( 0.922 1.997 -1.625) 2.735 26.621 ( -4.309 1.298 -0.896) 4.588 26.821 ( -4.389 -2.183 0.627) 4.942 27.517 ( -2.497 -3.218 3.824) 5.587 28.935 ( 6.076 -2.294 -2.236) 6.869 ======================= Grid point 165 (84/215) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.094 15.431 -1.867) 15.544 2.587 ( -3.718 -16.423 7.388) 18.388 2.660 ( 3.015 17.812 7.618) 19.606 3.151 ( -10.685 -17.008 -0.106) 20.086 3.719 ( 8.865 2.363 13.348) 16.197 3.875 ( 5.654 1.860 -3.435) 6.872 4.404 ( -3.235 -3.087 8.687) 9.771 4.830 ( 14.101 -0.744 -1.919) 14.250 4.998 ( -10.357 -2.070 -0.406) 10.570 5.198 ( 6.608 0.031 -1.919) 6.881 5.546 ( 0.572 -0.266 2.879) 2.947 5.880 ( -10.599 -1.964 0.700) 10.802 6.052 ( 3.236 7.150 6.128) 9.957 6.243 ( -2.068 -2.066 5.209) 5.973 6.441 ( 1.987 9.347 2.918) 9.992 6.775 ( -3.704 4.595 6.420) 8.721 6.922 ( -0.931 14.436 -7.786) 16.428 7.238 ( -0.589 4.181 -2.716) 5.021 7.512 ( 0.970 -18.827 -2.527) 19.021 7.583 ( -2.375 -3.831 0.658) 4.556 8.086 ( -0.242 5.108 2.484) 5.685 8.251 ( -2.533 -11.224 8.498) 14.304 9.095 ( 7.320 6.874 -7.401) 12.474 9.481 ( -2.361 -4.862 -9.471) 10.905 10.043 ( 12.207 -2.190 -5.884) 13.727 10.356 ( -2.198 1.963 -3.273) 4.404 10.954 ( -3.171 1.278 -0.040) 3.419 11.012 ( -3.842 -3.541 -1.334) 5.393 11.702 ( -4.850 1.861 5.053) 7.247 12.129 ( 2.650 -0.980 -0.589) 2.886 12.539 ( 2.920 -1.331 -2.030) 3.797 12.841 ( -2.533 0.268 -6.213) 6.715 13.609 ( 1.794 -0.172 -0.169) 1.810 14.036 ( -3.063 -1.938 -8.400) 9.149 15.359 ( 3.002 -1.975 11.233) 11.794 16.048 ( -3.910 0.300 4.388) 5.885 16.567 ( -1.679 1.847 -1.649) 2.992 16.934 ( 5.308 1.603 -9.999) 11.434 17.342 ( 3.759 4.210 3.551) 6.668 17.518 ( -4.242 -4.622 5.011) 8.029 24.957 ( 0.167 0.371 1.111) 1.184 25.206 ( -0.181 1.294 -1.308) 1.849 26.278 ( -0.700 1.900 -1.775) 2.692 26.382 ( -0.541 -0.065 -5.669) 5.696 26.619 ( 1.139 1.666 0.015) 2.018 26.719 ( 0.047 -2.003 -1.020) 2.248 27.577 ( 1.063 -0.841 12.693) 12.765 28.891 ( -0.736 -0.884 -6.155) 6.262 ======================= Grid point 166 (85/215) ======================= q-point: ( 0.08 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 7.998 19.341 1.732) 21.001 2.685 ( -9.644 4.867 7.903) 13.385 2.773 ( 4.454 -19.570 7.983) 21.600 2.969 ( -1.256 -2.624 2.016) 3.539 3.967 ( 8.012 5.008 -0.465) 9.459 4.091 ( 10.511 1.130 10.187) 14.681 4.414 ( -7.109 -7.578 9.615) 14.157 4.644 ( -13.769 -1.350 -12.051) 18.347 5.191 ( 10.105 0.824 5.117) 11.357 5.241 ( 3.142 -3.512 4.234) 6.335 5.602 ( 2.249 0.054 2.413) 3.299 5.749 ( -2.562 -4.204 2.120) 5.360 6.137 ( -4.317 11.875 5.599) 13.820 6.262 ( -5.759 -0.169 8.912) 10.612 6.442 ( -3.045 -4.141 -1.666) 5.404 6.754 ( -7.270 6.768 3.338) 10.478 6.843 ( -1.014 16.292 -1.180) 16.366 7.208 ( 0.796 9.456 -0.758) 9.519 7.491 ( -2.599 -15.308 0.107) 15.527 7.568 ( 0.759 -6.495 -1.305) 6.668 8.097 ( -2.018 6.646 2.200) 7.286 8.279 ( -4.607 -11.016 6.091) 13.404 9.052 ( 0.309 14.697 -13.918) 20.244 9.365 ( 2.803 -12.951 -3.780) 13.780 10.210 ( 13.283 -2.552 -4.520) 14.261 10.233 ( -3.726 0.017 -10.883) 11.503 10.683 ( -14.714 2.100 -4.490) 15.526 11.091 ( 2.070 -2.921 6.039) 7.020 11.684 ( -3.667 1.075 3.503) 5.184 12.175 ( 2.696 0.614 0.960) 2.927 12.611 ( 7.293 -0.808 -1.343) 7.459 12.790 ( 7.332 -2.507 -9.359) 12.150 13.639 ( 0.774 0.443 2.147) 2.325 13.906 ( 1.325 -1.387 -10.802) 10.971 15.563 ( 2.621 0.746 14.920) 15.167 15.939 ( -12.034 -0.355 -1.320) 12.112 16.563 ( 3.365 2.367 -1.139) 4.268 16.863 ( -0.588 1.091 -9.017) 9.102 17.450 ( 0.181 2.386 5.006) 5.548 17.552 ( 5.044 -4.250 4.483) 7.975 24.986 ( 1.233 0.283 1.884) 2.269 25.180 ( -0.535 1.165 -1.921) 2.310 26.259 ( 1.590 2.274 -2.166) 3.520 26.316 ( 0.875 -1.283 -4.328) 4.599 26.675 ( 5.193 1.146 0.669) 5.360 26.752 ( 5.324 -1.073 -1.724) 5.698 27.761 ( 0.961 -0.739 14.215) 14.266 28.738 ( -6.707 -0.504 -9.108) 11.322 ======================= Grid point 167 (86/215) ======================= q-point: ( 0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -1.070 7.218 5.415) 9.087 2.550 ( 5.405 7.816 4.513) 10.520 3.003 ( 5.396 -15.321 11.030) 19.635 3.135 ( 12.549 5.342 4.204) 14.272 3.935 ( -9.127 5.953 -5.120) 12.040 4.139 ( -9.908 -6.046 -7.606) 13.877 4.295 ( 4.729 5.352 -3.631) 8.012 4.679 ( 7.287 -9.237 11.761) 16.636 5.122 ( -1.359 -6.683 1.083) 6.905 5.468 ( -0.164 3.158 5.299) 6.171 5.727 ( -5.313 -2.176 6.149) 8.413 5.805 ( 9.665 -2.948 4.130) 10.916 6.055 ( -10.707 8.743 4.026) 14.398 6.212 ( -13.502 -2.275 5.854) 14.891 6.398 ( 2.921 -2.763 -0.454) 4.046 6.614 ( -7.603 3.392 -3.974) 9.225 6.856 ( -3.826 14.345 6.838) 16.345 7.276 ( 3.334 14.027 6.578) 15.847 7.418 ( -7.025 -8.876 0.170) 11.321 7.592 ( 4.247 -4.469 -0.288) 6.172 8.064 ( -3.308 5.058 -1.232) 6.168 8.244 ( -7.308 -12.008 3.162) 14.409 8.869 ( 0.881 9.517 -12.395) 15.652 9.419 ( 4.538 -7.526 -3.148) 9.335 9.906 ( -9.422 -1.155 -18.314) 20.628 10.374 ( 11.136 -3.547 -3.602) 12.229 10.525 ( -4.775 2.403 2.246) 5.799 11.165 ( -3.147 -3.786 6.852) 8.438 11.679 ( -0.987 0.761 2.290) 2.607 12.235 ( 2.524 2.255 1.990) 3.926 12.703 ( 4.401 -1.394 0.593) 4.654 12.828 ( 11.818 -2.680 -10.390) 15.962 13.694 ( 1.736 1.253 4.175) 4.692 13.833 ( 6.331 -1.278 -11.420) 13.119 15.630 ( -14.846 3.010 -4.810) 15.894 15.805 ( -0.492 -1.172 12.611) 12.675 16.634 ( 6.254 3.331 -0.752) 7.126 16.727 ( -2.491 -0.455 -6.474) 6.952 17.485 ( 1.089 -1.062 0.502) 1.602 17.732 ( 6.358 -1.423 6.894) 9.485 25.037 ( 1.976 0.349 2.344) 3.085 25.148 ( -0.417 0.844 -1.966) 2.180 26.285 ( 4.243 1.834 -1.104) 4.753 26.316 ( 4.044 -0.780 -2.275) 4.705 26.790 ( 7.114 0.960 1.439) 7.321 26.828 ( 6.599 -0.627 -1.606) 6.821 27.922 ( -0.491 -0.764 11.914) 11.948 28.483 ( -9.960 -0.218 -10.697) 14.617 ======================= Grid point 168 (87/215) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -5.176 -0.911 7.450) 9.118 2.785 ( 3.264 7.081 1.587) 7.956 3.158 ( 6.730 2.382 3.504) 7.953 3.397 ( 15.660 6.578 1.011) 17.016 3.732 ( -3.706 5.892 -4.688) 8.392 3.967 ( 2.087 -10.102 -3.027) 10.750 4.433 ( 9.260 4.454 0.631) 10.295 4.817 ( 5.916 -13.154 -4.110) 14.997 5.207 ( -4.100 4.142 7.326) 9.362 5.418 ( -11.611 -3.233 3.835) 12.648 5.581 ( -16.235 -2.566 10.320) 19.408 5.845 ( -8.011 -0.839 -3.757) 8.888 5.942 ( -1.186 -2.263 -5.266) 5.853 6.166 ( 1.205 0.119 1.379) 1.835 6.432 ( -0.955 5.116 2.831) 5.924 6.550 ( -0.697 -4.760 6.038) 7.720 6.850 ( -8.130 12.601 8.004) 16.998 7.256 ( -10.961 -7.079 -1.464) 13.130 7.455 ( 5.511 8.447 8.067) 12.915 7.685 ( 4.316 8.429 1.957) 9.670 7.963 ( -3.654 0.674 -6.142) 7.178 8.145 ( -6.978 -11.635 3.754) 14.077 8.845 ( 7.933 8.003 -4.604) 12.173 9.289 ( -8.523 -2.303 -13.342) 15.998 9.686 ( 3.694 -5.943 -10.048) 12.244 10.463 ( 3.288 -1.266 -0.969) 3.654 10.531 ( 0.802 -0.788 2.640) 2.869 11.150 ( -6.570 -4.584 4.342) 9.112 11.704 ( 0.295 0.651 2.128) 2.245 12.291 ( 1.308 3.155 1.749) 3.837 12.769 ( 1.258 -0.878 3.832) 4.128 12.910 ( 11.913 -1.441 -7.733) 14.275 13.788 ( 5.799 2.661 0.079) 6.381 13.839 ( 7.673 -1.858 -5.330) 9.526 15.285 ( -16.030 -0.868 -8.449) 18.141 15.907 ( -5.474 1.289 9.298) 10.866 16.665 ( 3.974 1.405 -0.750) 4.281 16.772 ( 9.923 1.455 -1.378) 10.124 17.486 ( -0.029 -1.314 -2.296) 2.646 17.875 ( 2.230 -0.990 5.042) 5.602 25.096 ( 1.796 1.173 1.620) 2.688 25.126 ( 0.436 -0.035 -0.987) 1.080 26.362 ( 6.190 1.445 -0.153) 6.358 26.384 ( 6.432 0.300 -0.682) 6.475 26.882 ( 3.691 1.597 -0.771) 4.095 26.943 ( 6.752 -0.776 2.246) 7.158 28.028 ( -1.422 -0.801 8.605) 8.759 28.196 ( -9.311 -0.408 -10.793) 14.260 ======================= Grid point 169 (88/215) ======================= q-point: ( 0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.556 2.600 6.348) 6.882 2.682 ( -2.825 -2.268 -7.245) 8.100 3.383 ( 13.839 8.044 2.768) 16.244 3.610 ( 6.927 17.967 1.567) 19.320 3.758 ( 9.868 4.143 -2.241) 10.935 4.013 ( 0.226 -9.149 0.082) 9.152 4.536 ( 3.163 2.885 -1.774) 4.634 4.830 ( 4.986 -12.843 -6.748) 15.341 5.023 ( -13.674 6.423 -3.454) 15.497 5.200 ( -15.873 -9.370 1.352) 18.481 5.602 ( -9.668 -1.326 14.960) 17.861 5.693 ( 3.316 -2.245 -8.737) 9.610 5.911 ( 4.178 -1.189 -5.098) 6.698 6.174 ( 3.521 1.555 -2.536) 4.609 6.497 ( -2.904 0.634 9.943) 10.378 6.587 ( -5.201 -6.023 5.153) 9.480 6.796 ( -11.369 11.365 8.992) 18.420 7.050 ( -11.260 -7.900 -1.546) 13.842 7.595 ( 3.205 2.469 0.531) 4.080 7.728 ( 0.097 9.295 2.836) 9.718 7.817 ( -1.740 -1.664 -9.083) 9.397 8.226 ( 2.031 -4.264 14.392) 15.147 8.915 ( 1.881 9.084 -10.347) 13.897 9.013 ( -0.809 1.069 -6.243) 6.386 9.660 ( 5.506 -9.762 -8.783) 14.239 10.467 ( -2.147 0.524 0.362) 2.239 10.577 ( 0.205 -3.665 3.049) 4.772 11.088 ( -4.528 -4.475 1.105) 6.461 11.727 ( -0.548 0.782 1.980) 2.198 12.309 ( -0.503 2.700 0.398) 2.775 12.839 ( 0.525 1.343 4.853) 5.062 13.009 ( 8.710 -0.712 -3.571) 9.441 13.851 ( 8.208 4.811 -5.844) 11.165 13.966 ( 6.499 -2.357 5.348) 8.740 14.966 ( -12.884 -3.690 -5.539) 14.502 15.874 ( -7.563 -0.169 4.824) 8.972 16.793 ( 9.135 2.874 2.464) 9.888 16.922 ( 10.737 1.630 -1.568) 10.973 17.426 ( -2.673 -1.554 -4.075) 5.115 17.916 ( -1.812 -0.677 1.480) 2.435 25.105 ( 0.545 1.411 -1.127) 1.887 25.160 ( 1.635 -0.169 1.522) 2.240 26.470 ( 7.404 2.212 -0.051) 7.728 26.493 ( 7.625 0.518 0.080) 7.643 26.899 ( -0.468 1.707 -0.633) 1.880 27.040 ( 0.897 -0.215 2.164) 2.353 27.966 ( -4.050 -0.644 -7.937) 8.934 28.092 ( -1.416 -1.235 5.733) 6.033 ======================= Grid point 170 (89/215) ======================= q-point: ( 0.42 0.44 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 8.844 6.395 -1.776) 11.058 2.682 ( 8.729 -1.621 -2.804) 9.311 3.525 ( -1.747 9.113 -6.602) 11.388 3.589 ( -9.608 2.962 -0.500) 10.067 3.823 ( -2.495 1.346 6.152) 6.774 4.036 ( 9.095 11.693 -3.883) 15.314 4.508 ( 0.316 -2.599 -3.431) 4.316 4.781 ( 1.241 2.136 -7.973) 8.347 4.910 ( 2.753 -4.884 -0.920) 5.681 5.048 ( -3.230 -8.978 -2.321) 9.819 5.554 ( -8.945 -2.373 2.437) 9.570 5.695 ( 7.184 -9.618 -8.822) 14.897 5.945 ( 4.606 9.627 0.264) 10.675 6.238 ( 4.534 -2.939 0.231) 5.408 6.488 ( -11.099 0.686 7.714) 13.534 6.564 ( -2.953 -3.489 2.464) 5.193 6.724 ( -11.808 3.746 12.154) 17.355 6.897 ( -8.246 -7.520 2.192) 11.373 7.582 ( 2.464 0.611 -6.084) 6.593 7.722 ( 0.732 4.399 -5.131) 6.797 7.806 ( 0.507 0.481 6.476) 6.513 8.379 ( -2.675 -1.782 1.923) 3.746 8.761 ( -0.095 2.703 0.776) 2.813 9.063 ( 6.791 12.350 -5.349) 15.075 9.647 ( 5.715 -12.617 -8.113) 16.052 10.413 ( -3.502 -0.242 -0.751) 3.590 10.608 ( -1.609 -4.088 4.094) 6.005 11.044 ( -1.192 -3.758 -1.144) 4.105 11.737 ( -1.123 1.074 2.294) 2.771 12.293 ( -0.898 1.966 -0.915) 2.347 12.877 ( -1.268 2.717 1.852) 3.524 13.085 ( 4.813 -0.849 -2.019) 5.288 13.936 ( 6.262 8.833 1.081) 10.881 14.130 ( 3.744 -3.658 6.833) 8.608 14.781 ( -6.354 -5.859 1.629) 8.795 15.818 ( -5.517 -1.300 3.677) 6.756 16.963 ( 8.150 3.977 1.230) 9.151 17.050 ( 7.122 2.957 -1.835) 7.927 17.324 ( -2.717 -3.325 -4.016) 5.879 17.867 ( -3.101 -0.426 -2.491) 4.000 25.104 ( 0.747 1.255 -0.775) 1.653 25.190 ( 0.477 0.050 0.487) 0.684 26.581 ( 6.767 3.620 -0.769) 7.713 26.616 ( 7.483 0.252 -0.265) 7.492 26.855 ( -4.100 1.822 -0.503) 4.515 27.007 ( -4.994 -0.341 -1.123) 5.130 27.899 ( 2.227 -1.130 -1.227) 2.783 28.124 ( -1.823 -1.170 3.794) 4.369 ======================= Grid point 171 (90/215) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -3.399 8.435 -2.781) 9.510 2.793 ( 10.663 3.446 -4.077) 11.925 3.272 ( -6.029 -1.829 -8.527) 10.602 3.407 ( -2.900 -3.778 -11.730) 12.660 3.876 ( -2.581 5.795 6.764) 9.274 4.120 ( 5.239 12.220 -3.052) 13.642 4.532 ( 5.535 -2.444 -0.049) 6.051 4.768 ( 2.882 7.425 -4.673) 9.234 4.926 ( 3.345 -4.112 -4.328) 6.843 5.028 ( 2.457 -6.549 -0.801) 7.040 5.330 ( -14.817 -3.283 -5.429) 16.118 5.744 ( 13.454 -6.528 -11.359) 18.779 6.055 ( 4.662 7.221 3.226) 9.181 6.266 ( 1.002 -8.345 -3.000) 8.925 6.435 ( -10.597 3.911 10.011) 15.094 6.478 ( -8.342 -0.369 3.673) 9.123 6.737 ( -7.272 -0.690 12.329) 14.331 6.875 ( 1.597 -7.013 4.432) 8.448 7.551 ( 1.826 1.631 -6.420) 6.871 7.691 ( 1.022 11.195 -3.059) 11.651 7.893 ( 1.488 -2.733 6.271) 7.001 8.213 ( -8.302 -7.869 -5.843) 12.845 8.906 ( 8.551 6.922 1.520) 11.106 9.066 ( 1.352 7.249 -2.872) 7.914 9.658 ( 5.813 -10.455 -4.451) 12.764 10.370 ( 0.660 -1.268 -1.782) 2.284 10.623 ( -2.694 -3.564 4.294) 6.197 11.016 ( 0.060 -3.424 -2.249) 4.097 11.749 ( -1.336 1.003 2.897) 3.344 12.264 ( -0.317 1.673 -2.320) 2.878 12.843 ( -3.127 2.028 -1.159) 3.903 13.118 ( 2.740 -0.242 -1.687) 3.227 14.055 ( 0.583 9.986 7.106) 12.270 14.207 ( -3.175 -4.204 6.634) 8.471 14.837 ( 3.837 -5.156 10.663) 12.450 15.787 ( -3.505 -1.344 2.594) 4.563 16.985 ( -4.349 3.390 -3.710) 6.646 17.110 ( 2.342 3.924 -0.431) 4.590 17.306 ( 4.643 -4.089 -1.382) 6.339 17.782 ( -0.304 -0.376 -6.368) 6.387 25.110 ( 0.811 1.211 -0.250) 1.479 25.184 ( -1.009 -0.014 -0.743) 1.253 26.642 ( 0.909 4.063 -1.168) 4.324 26.685 ( 0.771 1.046 -1.726) 2.160 26.782 ( -1.934 1.482 -0.753) 2.550 26.924 ( -0.119 -1.251 -3.095) 3.341 27.976 ( 4.019 -1.023 4.662) 6.239 28.121 ( -3.309 -1.034 2.258) 4.138 ======================= Grid point 172 (91/215) ======================= q-point: (-0.42 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -11.479 5.887 -4.249) 13.583 2.823 ( -1.473 0.663 -0.921) 1.860 3.216 ( 6.754 -0.065 -12.761) 14.438 3.266 ( 3.801 -3.676 -11.423) 12.587 3.919 ( 2.683 3.283 1.313) 4.439 4.125 ( -2.774 0.925 0.230) 2.933 4.632 ( 4.270 8.767 3.092) 10.230 4.747 ( 1.848 7.937 -4.751) 9.433 4.907 ( 1.382 -1.355 -5.472) 5.804 4.992 ( -3.314 -4.657 -7.353) 9.313 5.120 ( -0.260 -5.288 -5.075) 7.334 5.785 ( 7.341 -3.276 -11.677) 14.176 6.118 ( -1.620 0.567 2.984) 3.443 6.229 ( -0.816 -4.245 -1.842) 4.699 6.377 ( -2.789 -0.461 3.379) 4.406 6.476 ( -5.721 -1.371 10.960) 12.439 6.786 ( -3.768 8.194 10.988) 14.215 6.997 ( 5.974 -6.351 2.676) 9.121 7.458 ( -1.936 13.085 -6.930) 14.933 7.684 ( 1.564 2.726 -1.911) 3.679 8.011 ( 2.672 -8.266 6.079) 10.603 8.077 ( -4.486 -8.276 1.539) 9.538 8.896 ( 2.982 10.991 -12.917) 17.221 9.144 ( 7.344 -3.849 -0.051) 8.292 9.748 ( 5.803 -4.349 4.634) 8.606 10.390 ( 4.760 -1.575 -3.010) 5.848 10.625 ( -3.323 -2.726 4.000) 5.871 10.991 ( 0.384 -3.621 -2.591) 4.469 11.759 ( -2.280 0.621 3.250) 4.018 12.228 ( 0.376 1.816 -3.882) 4.303 12.770 ( -3.356 0.489 -1.470) 3.697 13.150 ( 2.901 0.370 -0.037) 2.924 14.033 ( -11.769 2.413 5.432) 13.184 14.283 ( -1.585 1.683 11.728) 11.954 15.097 ( 8.474 -2.094 14.366) 16.810 15.752 ( -2.867 -0.433 -1.006) 3.069 16.838 ( -7.354 1.696 -2.484) 7.946 17.075 ( -5.924 1.835 -0.251) 6.207 17.384 ( 6.108 -1.395 -1.809) 6.521 17.713 ( 3.135 -0.619 -9.322) 9.854 25.122 ( 0.396 1.336 0.176) 1.404 25.146 ( -1.727 -0.358 -1.392) 2.246 26.570 ( -6.132 1.383 -1.274) 6.414 26.612 ( -6.169 2.779 -0.051) 6.766 26.801 ( 4.599 1.639 -2.620) 5.541 26.923 ( 3.242 -1.185 -3.744) 5.092 28.063 ( -5.307 -0.026 1.010) 5.402 28.129 ( 5.177 -1.572 7.115) 8.939 ======================= Grid point 173 (92/215) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -3.784 -0.036 -1.910) 4.239 2.806 ( -0.111 0.048 -1.502) 1.507 3.005 ( -10.762 2.280 -9.970) 14.847 3.247 ( 6.287 -7.174 -13.002) 16.126 3.970 ( -5.360 5.721 3.117) 8.436 4.086 ( 1.144 -4.264 6.698) 8.022 4.642 ( -4.397 10.758 -3.878) 12.252 4.701 ( -2.650 7.875 -7.783) 11.384 4.893 ( 7.449 -1.107 -7.561) 10.672 4.952 ( 12.110 0.315 -6.771) 13.878 5.088 ( 5.178 -9.865 -3.590) 11.706 5.685 ( -0.953 -1.110 -13.331) 13.411 6.101 ( -3.909 1.481 4.099) 5.854 6.227 ( -2.117 -1.351 3.995) 4.719 6.422 ( 4.951 0.324 -0.125) 4.963 6.506 ( -4.156 -1.822 5.306) 6.982 6.865 ( -3.062 14.734 10.927) 18.598 7.090 ( 6.278 1.000 -2.062) 6.684 7.407 ( 0.416 6.127 0.878) 6.203 7.689 ( -0.136 -8.898 1.296) 8.993 7.993 ( -3.731 -10.162 -1.019) 10.874 8.170 ( 2.584 -1.884 6.674) 7.401 8.838 ( 6.699 7.886 -6.812) 12.389 9.217 ( 9.350 -6.045 -10.222) 15.115 9.952 ( 7.210 0.119 12.340) 14.292 10.424 ( 4.848 -1.685 -4.961) 7.139 10.614 ( -3.629 -1.777 3.366) 5.259 10.965 ( 0.452 -3.884 -2.978) 4.915 11.753 ( -3.666 0.497 3.836) 5.329 12.185 ( 0.843 1.878 -4.804) 5.226 12.720 ( -1.639 -0.812 -0.013) 1.829 13.211 ( 3.164 0.318 1.943) 3.726 13.870 ( -15.298 0.627 4.236) 15.886 14.382 ( -5.904 1.386 14.023) 15.278 15.401 ( 8.466 1.876 11.990) 14.797 15.648 ( -4.120 -1.009 -7.089) 8.261 16.745 ( -2.896 1.790 1.606) 3.764 16.949 ( -9.037 0.065 0.424) 9.047 17.431 ( 3.324 0.188 -3.332) 4.711 17.644 ( 2.402 -1.370 -10.282) 10.647 25.081 ( -2.686 0.235 -1.627) 3.150 25.149 ( 0.993 0.634 0.820) 1.436 26.465 ( -5.689 1.313 -0.091) 5.840 26.518 ( -6.119 1.541 1.041) 6.395 26.834 ( 3.074 2.590 -2.538) 4.754 26.905 ( 0.076 -1.780 -3.724) 4.128 27.950 ( -8.295 -0.360 -1.456) 8.430 28.328 ( 8.445 -0.946 7.409) 11.274 ======================= Grid point 174 (93/215) ======================= q-point: (-0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 2.093 -1.516 -1.628) 3.054 2.680 ( -13.610 -2.707 -0.491) 13.885 2.755 ( -5.715 -0.043 -5.983) 8.274 3.166 ( -1.739 -6.595 -6.337) 9.310 3.888 ( -2.794 10.279 -2.135) 10.864 4.290 ( 6.470 -5.980 7.279) 11.429 4.415 ( -15.332 3.245 -7.456) 17.355 4.565 ( 0.445 8.688 0.159) 8.701 4.935 ( 8.543 -5.745 -5.871) 11.851 5.101 ( 11.896 -2.226 -8.797) 14.961 5.249 ( 18.797 3.443 -3.253) 19.384 5.468 ( -3.412 -1.730 -13.357) 13.894 6.119 ( -3.691 6.196 7.880) 10.682 6.229 ( -4.290 -1.055 4.995) 6.669 6.461 ( -3.497 4.810 -1.340) 6.096 6.503 ( 5.764 -0.078 -1.259) 5.900 6.950 ( -0.674 14.158 8.340) 16.446 7.180 ( 4.813 2.304 1.800) 5.632 7.444 ( 0.921 -1.443 2.442) 2.982 7.719 ( -0.664 -14.124 3.933) 14.677 7.923 ( -1.129 -6.703 -1.996) 7.084 8.234 ( -1.886 -1.705 2.308) 3.434 8.952 ( 12.263 8.271 -1.295) 14.848 9.211 ( 7.763 -8.319 -11.758) 16.363 10.244 ( 9.179 3.875 10.931) 14.790 10.410 ( 2.235 -4.079 -6.190) 7.743 10.601 ( -2.266 -0.485 4.063) 4.677 10.934 ( 0.459 -3.836 -3.360) 5.120 11.739 ( -4.512 0.923 4.845) 6.685 12.146 ( 1.247 1.241 -4.340) 4.683 12.711 ( -0.809 -1.498 0.688) 1.836 13.277 ( -0.371 0.397 3.934) 3.972 13.672 ( -13.018 0.427 1.595) 13.123 14.417 ( -10.558 -0.403 13.309) 16.993 15.401 ( -4.955 2.421 -12.092) 13.290 15.697 ( 7.410 -1.914 8.066) 11.119 16.746 ( -3.164 6.902 1.360) 7.714 16.865 ( -0.788 -4.304 3.106) 5.366 17.407 ( -0.462 3.611 -4.139) 5.512 17.549 ( -0.074 -4.008 -7.894) 8.853 25.022 ( -2.509 0.244 -1.247) 2.812 25.177 ( 1.094 0.800 1.081) 1.734 26.392 ( -4.293 1.864 0.982) 4.782 26.452 ( -4.145 0.522 1.590) 4.470 26.809 ( -3.339 1.114 -2.167) 4.133 26.871 ( 0.603 -0.569 -1.481) 1.698 27.770 ( -10.248 -0.739 -3.827) 10.964 28.559 ( 10.620 -0.728 5.387) 11.931 ======================= Grid point 175 (94/215) ======================= q-point: (-0.17 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -2.142 8.321 -4.079) 9.512 2.527 ( -8.329 -7.891 2.263) 11.695 2.740 ( 6.025 -9.680 6.392) 13.071 3.035 ( -10.563 4.383 1.287) 11.509 3.734 ( -4.407 2.104 -15.877) 16.611 4.227 ( -3.219 8.489 4.478) 10.123 4.287 ( -7.884 -4.680 -1.813) 9.346 4.743 ( 9.832 -0.295 2.023) 10.042 4.943 ( 2.539 6.977 -7.477) 10.537 5.097 ( 1.420 -7.866 -1.593) 8.150 5.353 ( 9.550 -4.824 -8.586) 13.719 5.596 ( 20.144 3.414 2.898) 20.636 6.119 ( -7.511 7.509 5.847) 12.124 6.217 ( -5.222 -3.100 4.909) 7.809 6.397 ( -0.926 11.505 -2.718) 11.858 6.589 ( 5.405 0.213 2.102) 5.803 7.025 ( 0.805 11.610 3.009) 12.020 7.251 ( 0.969 2.769 1.700) 3.391 7.497 ( 2.309 -7.201 1.744) 7.760 7.715 ( -3.020 -8.242 -0.088) 8.779 7.958 ( 2.997 -8.411 4.598) 10.043 8.178 ( -4.456 -3.407 -0.838) 5.671 9.076 ( 7.869 5.017 -8.631) 12.712 9.285 ( 12.927 -4.597 -0.414) 13.727 10.247 ( -1.193 -0.320 -13.196) 13.253 10.447 ( -2.441 1.697 3.750) 4.786 10.754 ( 10.172 -0.478 10.699) 14.770 10.911 ( 1.543 -3.968 -2.283) 4.831 11.727 ( -4.846 1.789 5.564) 7.593 12.123 ( 1.453 -0.223 -3.250) 3.567 12.683 ( -3.640 -1.719 -0.477) 4.054 13.224 ( -13.422 1.941 3.951) 14.125 13.560 ( 0.096 -0.519 -1.848) 1.922 14.352 ( -12.391 -1.815 6.230) 13.987 15.221 ( -0.703 -1.224 -7.470) 7.602 15.875 ( 5.279 -0.563 4.922) 7.240 16.685 ( -5.214 3.955 2.029) 6.852 16.941 ( 6.430 -0.692 -3.031) 7.142 17.335 ( -2.097 7.460 -3.301) 8.423 17.485 ( -1.290 -6.607 0.102) 6.732 24.977 ( -1.820 0.371 -0.494) 1.922 25.204 ( 0.837 1.025 0.604) 1.455 26.348 ( -2.979 1.960 1.035) 3.713 26.425 ( -1.089 0.561 0.737) 1.430 26.716 ( -4.654 -0.060 -1.625) 4.930 26.858 ( -2.852 0.112 0.988) 3.021 27.564 ( -8.877 -1.177 -3.343) 9.558 28.771 ( 9.968 -0.787 2.059) 10.209 ======================= Grid point 176 (95/215) ======================= q-point: (-0.08 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.612 6.903 0.533) 7.109 2.506 ( -0.269 -0.713 7.039) 7.081 2.759 ( -14.376 9.420 -0.563) 17.197 3.069 ( 10.634 -17.086 7.459) 21.463 3.559 ( -1.036 1.496 0.145) 1.825 4.043 ( -12.040 1.466 -9.644) 15.496 4.311 ( 0.452 4.108 8.888) 9.802 4.733 ( 4.780 -8.185 -7.355) 11.997 5.025 ( 5.546 5.371 -0.878) 7.770 5.143 ( 2.550 -3.279 1.385) 4.378 5.465 ( 8.644 -2.070 0.684) 8.915 5.895 ( 5.926 2.117 6.420) 8.990 6.029 ( -6.284 4.701 1.143) 7.930 6.202 ( -2.308 -4.693 4.749) 7.064 6.381 ( 1.554 15.926 -0.245) 16.004 6.710 ( 2.437 1.483 5.962) 6.609 7.021 ( -0.224 11.761 -5.087) 12.816 7.262 ( -0.580 3.287 0.258) 3.348 7.528 ( 1.392 -14.906 -2.030) 15.108 7.641 ( -5.292 -3.019 -0.053) 6.093 8.050 ( 2.310 -1.210 1.173) 2.859 8.165 ( -0.866 -9.857 7.792) 12.595 9.075 ( 6.513 2.624 -8.380) 10.933 9.490 ( 10.301 -0.838 -1.299) 10.416 10.058 ( 0.221 -1.614 -13.301) 13.400 10.415 ( -3.284 2.502 0.142) 4.131 10.907 ( 2.543 -1.214 0.224) 2.827 11.027 ( 5.457 -2.310 5.175) 7.868 11.716 ( -5.004 2.470 5.628) 7.926 12.113 ( 1.564 -1.560 -2.207) 3.122 12.588 ( -4.798 -1.693 -2.341) 5.600 13.013 ( -12.720 2.283 -1.391) 12.998 13.579 ( 3.241 -0.570 -1.476) 3.607 14.197 ( -8.202 -2.424 -3.384) 9.197 15.220 ( 2.643 -2.709 3.624) 5.240 15.993 ( 2.489 0.020 4.853) 5.454 16.629 ( -4.497 2.181 0.752) 5.055 16.959 ( 6.186 1.215 -9.622) 11.503 17.292 ( 0.410 5.659 -0.810) 5.732 17.504 ( -2.601 -4.801 6.410) 8.420 24.954 ( -0.887 0.430 0.314) 1.035 25.215 ( 0.312 1.220 -0.365) 1.311 26.314 ( -2.104 1.669 -0.251) 2.697 26.423 ( 1.354 1.032 -2.380) 2.927 26.640 ( -2.775 0.537 -0.853) 2.953 26.786 ( -6.199 -1.093 -0.276) 6.301 27.472 ( -2.593 -1.119 4.812) 5.579 28.900 ( 5.744 -0.967 -2.096) 6.191 ======================= Grid point 225 (96/215) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.657 0.000 42.618) 42.623 1.784 ( 4.536 0.000 42.490) 42.732 2.665 ( 2.881 0.000 60.643) 60.711 3.804 ( -2.601 0.000 -4.258) 4.989 3.885 ( -2.916 0.000 3.534) 4.582 4.324 ( 5.011 0.000 -23.741) 24.264 4.393 ( -3.052 0.000 13.255) 13.602 4.795 ( 0.634 0.000 7.932) 7.957 5.026 ( -15.584 0.000 5.820) 16.636 5.354 ( 3.745 0.000 -9.030) 9.776 5.454 ( 12.982 0.000 3.677) 13.493 5.857 ( -5.016 0.000 -23.276) 23.811 6.012 ( 2.935 0.000 16.181) 16.445 6.300 ( -14.105 0.000 -0.269) 14.107 6.513 ( 4.271 0.000 2.160) 4.786 6.821 ( -2.906 0.000 -0.256) 2.917 6.840 ( 5.292 0.000 -13.610) 14.603 7.104 ( 7.352 0.000 0.003) 7.352 7.239 ( -2.284 0.000 3.563) 4.233 7.586 ( 4.172 0.000 -12.267) 12.957 7.737 ( -1.747 0.000 -18.674) 18.756 7.912 ( 1.327 0.000 -13.169) 13.236 9.371 ( -9.757 0.000 11.962) 15.436 9.747 ( 2.579 0.000 0.937) 2.744 10.174 ( -2.613 0.000 3.229) 4.154 10.272 ( 3.192 0.000 2.795) 4.243 11.048 ( 3.803 0.000 -4.740) 6.077 11.123 ( -5.993 0.000 -4.721) 7.630 11.510 ( -2.925 0.000 3.989) 4.947 11.691 ( 3.634 0.000 -0.691) 3.699 12.954 ( -2.515 0.000 3.466) 4.282 13.073 ( 4.609 0.000 0.011) 4.609 13.738 ( 3.537 0.000 3.730) 5.141 13.936 ( -2.829 0.000 -1.252) 3.094 15.837 ( -5.026 0.000 4.007) 6.428 16.082 ( -0.356 0.000 -0.296) 0.463 16.127 ( -1.086 0.000 -1.741) 2.052 16.195 ( 1.122 0.000 -5.350) 5.466 17.692 ( 6.165 0.000 3.668) 7.173 17.900 ( -5.643 0.000 -2.226) 6.067 24.866 ( 1.865 0.000 2.676) 3.261 25.050 ( -0.911 0.000 -2.468) 2.631 26.080 ( 2.037 0.000 1.419) 2.482 26.281 ( -0.695 0.000 -4.576) 4.628 26.547 ( 4.411 0.000 3.229) 5.466 26.807 ( -1.524 0.000 -3.802) 4.097 28.100 ( 2.392 0.000 9.779) 10.068 28.659 ( -4.980 0.000 -6.080) 7.860 ======================= Grid point 226 (97/215) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -15.591 0.000 42.213) 45.000 2.302 ( 6.851 0.000 41.289) 41.854 3.419 ( -19.809 0.000 -26.990) 33.479 3.540 ( 9.486 0.000 2.849) 9.904 3.835 ( 19.106 0.000 25.244) 31.659 4.222 ( -23.097 0.000 -1.876) 23.173 4.282 ( 0.073 0.000 1.348) 1.350 4.786 ( -7.025 0.000 9.386) 11.724 5.118 ( -1.901 0.000 18.994) 19.089 5.238 ( -5.812 0.000 -7.454) 9.452 5.602 ( 11.025 0.000 -19.057) 22.016 5.850 ( 14.693 0.000 13.104) 19.688 5.991 ( -15.750 0.000 -7.185) 17.312 6.208 ( -3.104 0.000 13.178) 13.539 6.496 ( -6.355 0.000 -3.490) 7.250 6.664 ( -0.173 0.000 -18.411) 18.412 6.773 ( 0.126 0.000 -1.808) 1.813 7.246 ( 14.030 0.000 -11.124) 17.905 7.272 ( 1.562 0.000 2.889) 3.284 7.468 ( 0.891 0.000 -9.523) 9.565 7.618 ( 4.567 0.000 -5.014) 6.782 7.829 ( 4.574 0.000 -9.690) 10.715 9.330 ( -10.903 0.000 10.727) 15.295 9.794 ( 0.256 0.000 3.100) 3.111 10.148 ( -4.201 0.000 -2.775) 5.035 10.357 ( 2.754 0.000 3.059) 4.116 10.994 ( -3.463 0.000 -1.696) 3.856 11.079 ( 6.180 0.000 -3.172) 6.946 11.546 ( 2.484 0.000 1.002) 2.679 11.712 ( -0.280 0.000 -0.491) 0.565 12.916 ( -5.665 0.000 3.581) 6.702 13.187 ( 9.140 0.000 -1.210) 9.220 13.813 ( -0.790 0.000 3.797) 3.878 13.822 ( -7.787 0.000 -3.140) 8.396 15.797 ( -5.665 0.000 6.433) 8.572 16.078 ( 0.927 0.000 -0.744) 1.188 16.121 ( 1.905 0.000 -1.545) 2.453 16.185 ( 4.217 0.000 -4.481) 6.153 17.772 ( -5.436 0.000 -2.500) 5.983 17.850 ( 6.573 0.000 4.300) 7.854 24.938 ( 2.906 0.000 2.951) 4.142 25.006 ( -0.393 0.000 -3.229) 3.253 26.119 ( 0.752 0.000 1.743) 1.898 26.209 ( -1.235 0.000 -4.466) 4.633 26.661 ( 4.533 0.000 3.663) 5.828 26.756 ( 1.539 0.000 -4.851) 5.090 28.245 ( 0.405 0.000 10.630) 10.637 28.505 ( -4.555 0.000 -7.534) 8.804 ======================= Grid point 227 (98/215) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -7.363 0.000 32.794) 33.611 2.737 ( -14.722 0.000 -32.143) 35.354 2.890 ( 6.434 0.000 36.169) 36.736 3.299 ( 1.514 0.000 -26.343) 26.386 3.804 ( -24.472 0.000 0.271) 24.474 4.119 ( -15.405 0.000 -5.313) 16.296 4.744 ( 16.566 0.000 23.543) 28.787 4.804 ( -1.197 0.000 3.607) 3.800 5.157 ( 2.585 0.000 14.438) 14.668 5.164 ( -2.469 0.000 -7.003) 7.425 5.668 ( 7.797 0.000 1.107) 7.875 5.684 ( -11.484 0.000 -2.904) 11.845 6.137 ( -6.981 0.000 -8.220) 10.784 6.218 ( -3.823 0.000 5.686) 6.852 6.248 ( -3.835 0.000 5.314) 6.554 6.554 ( 2.296 0.000 -3.483) 4.172 6.842 ( 9.347 0.000 -0.156) 9.349 7.213 ( 5.615 0.000 -14.295) 15.358 7.337 ( 3.387 0.000 0.292) 3.400 7.504 ( 10.404 0.000 -5.171) 11.618 7.673 ( 5.399 0.000 -0.490) 5.421 7.793 ( 3.348 0.000 -7.440) 8.159 9.323 ( -7.319 0.000 13.080) 14.988 9.790 ( -6.231 0.000 -3.515) 7.154 9.974 ( -10.162 0.000 1.602) 10.287 10.433 ( 2.323 0.000 3.326) 4.057 11.004 ( 4.692 0.000 0.642) 4.736 11.158 ( 7.044 0.000 -1.872) 7.288 11.589 ( 3.555 0.000 -2.338) 4.255 11.671 ( -3.858 0.000 -0.647) 3.912 12.879 ( -5.930 0.000 5.461) 8.061 13.239 ( 0.179 0.000 -7.655) 7.657 13.688 ( -2.147 0.000 -0.961) 2.353 13.807 ( -4.264 0.000 2.738) 5.067 15.847 ( -0.428 0.000 9.793) 9.803 16.098 ( 3.781 0.000 -2.411) 4.484 16.140 ( 2.721 0.000 -1.064) 2.921 16.219 ( 5.507 0.000 -2.284) 5.962 17.679 ( -3.006 0.000 -2.333) 3.805 17.965 ( 2.117 0.000 2.222) 3.069 24.960 ( -0.253 0.000 -3.631) 3.640 25.022 ( 3.334 0.000 2.600) 4.228 26.144 ( -0.692 0.000 -3.596) 3.662 26.148 ( -0.001 0.000 2.270) 2.270 26.736 ( 3.534 0.000 -5.362) 6.422 26.771 ( 2.802 0.000 4.737) 5.504 28.337 ( -3.727 0.000 -9.319) 10.036 28.363 ( -1.097 0.000 10.334) 10.392 ======================= Grid point 228 (99/215) ======================= q-point: ( 0.25 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 6.267 0.000 -19.990) 20.950 2.583 ( -4.618 0.000 12.543) 13.366 3.069 ( 2.241 0.000 -17.642) 17.784 3.136 ( -18.646 0.000 12.779) 22.605 3.718 ( 3.294 0.000 22.154) 22.397 3.721 ( -17.422 0.000 -9.651) 19.916 4.773 ( -9.759 0.000 -6.607) 11.785 4.798 ( -5.425 0.000 -4.539) 7.074 4.981 ( 4.272 0.000 -13.652) 14.305 5.283 ( -4.608 0.000 3.946) 6.067 5.616 ( -17.580 0.000 -5.380) 18.384 5.757 ( -5.141 0.000 -2.522) 5.726 6.034 ( 3.666 0.000 -1.234) 3.868 6.172 ( 17.256 0.000 21.453) 27.532 6.524 ( 3.696 0.000 13.422) 13.922 6.531 ( 2.701 0.000 -7.760) 8.217 7.002 ( 8.418 0.000 1.333) 8.523 7.191 ( 5.856 0.000 -2.537) 6.382 7.350 ( 0.284 0.000 -4.218) 4.228 7.598 ( 8.851 0.000 -5.502) 10.422 7.766 ( 6.265 0.000 1.440) 6.428 7.788 ( 4.384 0.000 -1.892) 4.775 9.391 ( -6.769 0.000 15.085) 16.534 9.444 ( -20.305 0.000 -11.104) 23.143 9.982 ( -2.796 0.000 10.096) 10.476 10.512 ( 1.686 0.000 4.416) 4.727 11.110 ( 7.549 0.000 -0.932) 7.607 11.242 ( 5.866 0.000 -1.818) 6.141 11.589 ( -5.263 0.000 0.049) 5.264 11.603 ( 3.015 0.000 -3.786) 4.840 12.855 ( -7.034 0.000 7.658) 10.398 13.038 ( -6.935 0.000 -10.960) 12.970 13.739 ( 5.303 0.000 1.281) 5.455 13.762 ( -4.178 0.000 1.464) 4.427 15.967 ( -0.193 0.000 8.070) 8.073 16.128 ( 4.582 0.000 -3.959) 6.056 16.208 ( 5.924 0.000 2.570) 6.457 16.314 ( 8.929 0.000 -0.755) 8.961 17.609 ( -3.231 0.000 -1.616) 3.612 17.955 ( -3.188 0.000 -2.186) 3.866 24.914 ( -0.138 0.000 -3.331) 3.334 25.099 ( 2.940 0.000 1.838) 3.468 26.106 ( 0.285 0.000 -2.261) 2.279 26.173 ( -0.539 0.000 2.485) 2.543 26.736 ( 4.158 0.000 -5.079) 6.564 26.852 ( -0.220 0.000 5.038) 5.043 28.184 ( -0.968 0.000 -9.246) 9.296 28.454 ( -2.077 0.000 9.010) 9.246 ======================= Grid point 229 (100/215) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -1.125 0.000 0.513) 1.237 2.550 ( -1.840 0.000 -6.408) 6.667 2.859 ( -11.142 0.000 -5.526) 12.437 2.979 ( -5.172 0.000 3.509) 6.250 3.489 ( 3.440 0.000 -11.911) 12.398 4.052 ( -0.284 0.000 14.121) 14.124 4.492 ( -9.523 0.000 -13.305) 16.362 4.532 ( -7.511 0.000 -4.082) 8.549 5.060 ( -2.845 0.000 4.411) 5.249 5.258 ( 2.801 0.000 -12.864) 13.165 5.305 ( -5.679 0.000 9.122) 10.746 5.535 ( -5.469 0.000 -11.862) 13.062 6.128 ( 1.868 0.000 3.974) 4.391 6.370 ( 3.841 0.000 -13.859) 14.382 6.646 ( 6.104 0.000 -5.310) 8.090 6.710 ( 7.414 0.000 13.094) 15.047 7.125 ( 0.243 0.000 6.517) 6.522 7.274 ( 0.599 0.000 -5.733) 5.764 7.314 ( 4.941 0.000 1.214) 5.087 7.660 ( 7.989 0.000 -4.916) 9.380 7.878 ( 5.504 0.000 1.893) 5.820 7.968 ( 11.590 0.000 13.198) 17.564 8.972 ( -21.843 0.000 -10.278) 24.140 9.412 ( -12.684 0.000 12.625) 17.896 10.069 ( -3.109 0.000 11.821) 12.223 10.579 ( -0.235 0.000 4.427) 4.433 11.193 ( 6.720 0.000 -4.641) 8.167 11.282 ( 4.127 0.000 -5.042) 6.515 11.534 ( -4.968 0.000 4.666) 6.815 11.598 ( 2.173 0.000 -3.989) 4.542 12.843 ( -7.543 0.000 10.155) 12.649 12.862 ( -0.349 0.000 -6.869) 6.878 13.719 ( -2.517 0.000 0.326) 2.538 13.833 ( 4.012 0.000 1.436) 4.261 16.005 ( -2.318 0.000 2.637) 3.511 16.147 ( 3.804 0.000 -3.953) 5.486 16.370 ( 5.420 0.000 6.772) 8.674 16.473 ( 12.393 0.000 -1.413) 12.473 17.531 ( -5.303 0.000 -0.365) 5.315 17.838 ( -4.059 0.000 -6.124) 7.347 24.887 ( 0.901 0.000 -1.678) 1.905 25.154 ( 1.824 0.000 0.862) 2.018 26.098 ( 1.022 0.000 -0.964) 1.405 26.189 ( -1.062 0.000 2.297) 2.531 26.748 ( 4.395 0.000 -4.085) 6.000 26.873 ( -3.844 0.000 3.680) 5.321 28.109 ( 3.645 0.000 -6.316) 7.292 28.501 ( -3.897 0.000 6.270) 7.383 ======================= Grid point 230 (101/215) ======================= q-point: ( 0.42 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -15.476 0.000 9.463) 18.140 2.386 ( -4.706 0.000 -8.852) 10.025 2.776 ( 4.719 0.000 3.383) 5.807 3.040 ( 3.178 0.000 0.794) 3.276 3.448 ( 13.230 0.000 -18.419) 22.678 3.871 ( -10.125 0.000 -15.235) 18.293 4.249 ( -13.392 0.000 -9.090) 16.186 4.456 ( -5.533 0.000 3.831) 6.730 5.009 ( -1.331 0.000 11.244) 11.322 5.194 ( -7.692 0.000 -4.951) 9.148 5.450 ( 3.231 0.000 -1.820) 3.709 5.492 ( 18.168 0.000 1.181) 18.206 6.148 ( -1.793 0.000 1.176) 2.144 6.277 ( 3.082 0.000 -10.119) 10.578 6.652 ( 5.542 0.000 -7.157) 9.051 6.829 ( -5.149 0.000 4.573) 6.887 7.085 ( -3.536 0.000 -3.628) 5.066 7.264 ( -5.164 0.000 -4.386) 6.776 7.344 ( 8.890 0.000 0.558) 8.907 7.700 ( 3.939 0.000 -6.857) 7.908 7.967 ( 2.112 0.000 1.955) 2.878 8.439 ( 20.066 0.000 15.354) 25.267 8.570 ( -15.145 0.000 -3.051) 15.449 9.289 ( -17.880 0.000 8.886) 19.967 10.159 ( -4.729 0.000 13.712) 14.504 10.611 ( -1.728 0.000 4.042) 4.396 11.209 ( 4.652 0.000 -7.827) 9.105 11.266 ( 4.047 0.000 -7.933) 8.906 11.519 ( -5.742 0.000 5.789) 8.154 11.576 ( 1.183 0.000 -3.883) 4.059 12.865 ( -6.391 0.000 12.233) 13.802 12.873 ( 5.919 0.000 0.267) 5.925 13.692 ( -0.903 0.000 -0.263) 0.940 13.891 ( 1.432 0.000 0.814) 1.647 15.974 ( -3.468 0.000 0.215) 3.474 16.154 ( 2.784 0.000 -3.761) 4.680 16.491 ( -0.470 0.000 6.053) 6.071 16.659 ( 13.602 0.000 -2.536) 13.836 17.432 ( -7.605 0.000 1.024) 7.674 17.722 ( 0.133 0.000 -6.921) 6.922 24.910 ( 2.484 0.000 0.951) 2.659 25.174 ( 0.165 0.000 -0.244) 0.295 26.114 ( 1.563 0.000 0.125) 1.568 26.192 ( -1.569 0.000 1.729) 2.335 26.780 ( 4.941 0.000 -2.922) 5.740 26.821 ( -6.140 0.000 1.294) 6.274 28.152 ( 7.672 0.000 -1.794) 7.879 28.471 ( -6.656 0.000 2.649) 7.164 ======================= Grid point 231 (102/215) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -9.912 0.000 10.120) 14.166 2.319 ( 5.051 0.000 -0.834) 5.120 2.932 ( -10.408 0.000 -9.599) 14.159 3.031 ( 18.855 0.000 5.495) 19.639 3.451 ( 13.399 0.000 -19.248) 23.453 3.580 ( -13.044 0.000 -6.906) 14.760 3.984 ( 3.884 0.000 -11.081) 11.742 4.335 ( -8.327 0.000 -4.602) 9.514 5.114 ( 1.442 0.000 -0.594) 1.560 5.125 ( -3.967 0.000 7.873) 8.817 5.499 ( 5.264 0.000 -2.232) 5.718 5.634 ( 0.481 0.000 -3.893) 3.922 6.173 ( -9.737 0.000 -3.433) 10.324 6.214 ( 7.036 0.000 4.070) 8.128 6.663 ( -2.335 0.000 6.336) 6.752 6.668 ( -14.338 0.000 1.920) 14.466 7.029 ( 6.758 0.000 -9.440) 11.609 7.195 ( 1.552 0.000 -1.293) 2.020 7.496 ( 11.452 0.000 -2.628) 11.750 7.608 ( -1.851 0.000 -10.308) 10.473 7.986 ( -1.012 0.000 0.322) 1.063 8.362 ( -1.785 0.000 -5.345) 5.635 8.952 ( 17.923 0.000 13.472) 22.421 9.108 ( -16.446 0.000 8.334) 18.437 10.249 ( -6.194 0.000 16.381) 17.513 10.624 ( -3.625 0.000 4.936) 6.124 11.152 ( 0.906 0.000 -9.224) 9.269 11.222 ( 3.188 0.000 -9.451) 9.974 11.488 ( -3.738 0.000 2.469) 4.480 11.561 ( 2.609 0.000 -2.574) 3.665 12.923 ( -5.143 0.000 12.081) 13.130 13.020 ( 7.941 0.000 4.821) 9.290 13.687 ( 0.377 0.000 0.421) 0.565 13.888 ( -1.454 0.000 -1.573) 2.142 15.907 ( -5.036 0.000 -0.023) 5.036 16.144 ( 1.827 0.000 -3.956) 4.357 16.504 ( -5.364 0.000 4.816) 7.208 16.826 ( 11.234 0.000 -3.119) 11.659 17.324 ( -7.935 0.000 2.024) 8.189 17.684 ( 4.297 0.000 -6.132) 7.487 24.980 ( 3.135 0.000 2.862) 4.245 25.152 ( -1.699 0.000 -1.440) 2.228 26.151 ( 2.184 0.000 1.113) 2.451 26.180 ( -1.932 0.000 0.836) 2.105 26.723 ( -6.550 0.000 -0.336) 6.558 26.834 ( 5.475 0.000 -2.025) 5.837 28.292 ( 9.496 0.000 1.684) 9.645 28.357 ( -9.112 0.000 -0.478) 9.124 ======================= Grid point 232 (103/215) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -6.941 0.000 4.669) 8.366 2.489 ( 9.049 0.000 5.947) 10.828 2.625 ( -7.356 0.000 -10.625) 12.923 3.284 ( -5.207 0.000 -16.667) 17.461 3.300 ( -7.167 0.000 -7.208) 10.165 3.465 ( 25.415 0.000 1.837) 25.482 4.110 ( 12.179 0.000 4.140) 12.863 4.242 ( 12.425 0.000 -12.692) 17.761 5.021 ( -12.964 0.000 -0.322) 12.968 5.062 ( -14.705 0.000 -1.021) 14.740 5.518 ( -2.419 0.000 -9.397) 9.704 5.524 ( -1.456 0.000 2.066) 2.527 5.953 ( -9.002 0.000 4.069) 9.879 6.368 ( 4.158 0.000 5.320) 6.752 6.587 ( -2.452 0.000 5.132) 5.688 6.760 ( -3.182 0.000 14.831) 15.168 7.037 ( 7.697 0.000 -9.865) 12.513 7.236 ( 4.599 0.000 -1.592) 4.866 7.439 ( -1.155 0.000 -12.293) 12.347 7.615 ( 4.052 0.000 -1.154) 4.213 7.985 ( 5.670 0.000 -2.616) 6.245 8.325 ( 1.919 0.000 -2.976) 3.541 8.994 ( -10.638 0.000 8.401) 13.555 9.316 ( 15.158 0.000 3.772) 15.620 10.361 ( -5.751 0.000 18.583) 19.452 10.604 ( -7.163 0.000 5.716) 9.164 11.027 ( -2.661 0.000 -8.530) 8.935 11.142 ( 2.553 0.000 -11.038) 11.330 11.478 ( 0.273 0.000 0.655) 0.709 11.613 ( 5.707 0.000 0.369) 5.719 12.963 ( -5.546 0.000 7.657) 9.454 13.214 ( 8.763 0.000 4.840) 10.010 13.722 ( 1.516 0.000 3.271) 3.605 13.808 ( -3.870 0.000 -4.317) 5.798 15.818 ( -7.313 0.000 1.743) 7.518 16.119 ( 1.179 0.000 -4.258) 4.419 16.461 ( -6.258 0.000 4.286) 7.585 16.920 ( 3.932 0.000 -1.483) 4.203 17.246 ( -3.856 0.000 0.844) 3.947 17.691 ( 4.987 0.000 -5.873) 7.704 25.062 ( 2.327 0.000 3.110) 3.884 25.087 ( -3.325 0.000 -2.667) 4.262 26.152 ( -2.004 0.000 -0.280) 2.024 26.208 ( 2.797 0.000 1.714) 3.280 26.616 ( -6.162 0.000 -0.492) 6.182 26.900 ( 5.250 0.000 -1.285) 5.405 28.185 ( -10.053 0.000 -2.319) 10.317 28.475 ( 9.512 0.000 3.135) 10.016 ======================= Grid point 233 (104/215) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -22.213 0.000 -3.376) 22.468 2.499 ( -23.537 0.000 1.650) 23.595 2.613 ( 10.899 0.000 1.943) 11.071 3.041 ( 7.341 0.000 -10.938) 13.173 3.261 ( 12.982 0.000 -7.216) 14.853 3.883 ( 18.368 0.000 -2.707) 18.566 4.228 ( -9.435 0.000 -4.934) 10.648 4.341 ( 1.235 0.000 10.675) 10.746 4.779 ( 1.143 0.000 -0.936) 1.477 4.836 ( -8.162 0.000 5.017) 9.581 5.385 ( 3.810 0.000 -13.068) 13.612 5.617 ( 5.202 0.000 7.969) 9.517 5.951 ( -0.030 0.000 -1.091) 1.092 6.471 ( 0.932 0.000 4.466) 4.562 6.668 ( 2.620 0.000 7.462) 7.908 6.800 ( -5.996 0.000 1.674) 6.225 7.069 ( 3.790 0.000 1.665) 4.139 7.250 ( 1.977 0.000 -7.308) 7.571 7.346 ( 4.999 0.000 -5.225) 7.231 7.547 ( -10.793 0.000 0.668) 10.814 8.158 ( 15.532 0.000 0.442) 15.538 8.314 ( 1.177 0.000 -4.394) 4.549 8.951 ( -5.337 0.000 4.683) 7.100 9.529 ( 9.942 0.000 -0.449) 9.952 10.505 ( -3.336 0.000 16.624) 16.956 10.527 ( -10.488 0.000 4.739) 11.510 10.893 ( -2.621 0.000 -5.333) 5.942 11.061 ( 4.035 0.000 -10.396) 11.152 11.506 ( 2.256 0.000 0.192) 2.264 11.747 ( 7.760 0.000 4.102) 8.777 12.907 ( -7.494 0.000 -0.487) 7.510 13.378 ( 6.323 0.000 -0.443) 6.339 13.699 ( -2.289 0.000 -2.488) 3.381 13.809 ( 2.079 0.000 5.787) 6.149 15.727 ( -8.252 0.000 4.210) 9.264 16.086 ( 1.012 0.000 -3.799) 3.931 16.419 ( -4.849 0.000 3.456) 5.955 16.936 ( -0.624 0.000 1.093) 1.258 17.205 ( -2.027 0.000 -0.979) 2.251 17.686 ( 2.875 0.000 -5.709) 6.392 24.989 ( -4.189 0.000 -3.593) 5.519 25.119 ( 0.793 0.000 2.195) 2.334 26.111 ( -1.859 0.000 -1.308) 2.273 26.274 ( 3.039 0.000 1.306) 3.307 26.523 ( -5.621 0.000 0.727) 5.668 26.962 ( 3.572 0.000 -0.298) 3.585 28.003 ( -8.574 0.000 -2.750) 9.004 28.655 ( 8.516 0.000 2.808) 8.967 ======================= Grid point 234 (105/215) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -28.056 0.000 5.760) 28.641 1.967 ( -37.466 0.000 0.341) 37.468 2.909 ( 16.931 0.000 8.316) 18.863 3.002 ( -23.876 0.000 2.765) 24.035 3.491 ( 25.515 0.000 -7.741) 26.664 3.572 ( -19.125 0.000 0.631) 19.136 4.345 ( -14.206 0.000 14.647) 20.404 4.460 ( 29.132 0.000 -3.099) 29.297 4.942 ( 7.421 0.000 4.365) 8.610 5.003 ( 16.779 0.000 -0.217) 16.781 5.384 ( 11.459 0.000 -4.347) 12.256 5.790 ( 12.588 0.000 -14.275) 19.033 5.930 ( -1.633 0.000 14.098) 14.192 6.439 ( -5.748 0.000 -6.755) 8.869 6.699 ( -6.083 0.000 2.464) 6.563 6.775 ( 2.308 0.000 -0.729) 2.420 7.158 ( 0.785 0.000 5.537) 5.593 7.220 ( 5.652 0.000 -5.424) 7.833 7.338 ( -15.223 0.000 -0.121) 15.223 7.413 ( 4.677 0.000 2.999) 5.556 8.233 ( -1.256 0.000 -9.763) 9.844 8.375 ( 7.658 0.000 -0.203) 7.661 8.949 ( 1.153 0.000 3.366) 3.558 9.639 ( 4.017 0.000 0.977) 4.134 10.398 ( -10.492 0.000 2.348) 10.752 10.572 ( -6.578 0.000 4.961) 8.239 10.897 ( 4.963 0.000 5.256) 7.228 11.034 ( 5.335 0.000 -6.819) 8.658 11.542 ( 2.459 0.000 -0.583) 2.527 11.948 ( 9.464 0.000 6.216) 11.322 12.706 ( -10.962 0.000 -8.651) 13.964 13.335 ( -4.193 0.000 -6.678) 7.885 13.748 ( 6.495 0.000 2.224) 6.865 13.893 ( 1.226 0.000 2.227) 2.542 15.678 ( -4.991 0.000 6.078) 7.865 16.068 ( 1.150 0.000 -2.024) 2.328 16.382 ( -4.193 0.000 1.787) 4.558 16.898 ( -0.073 0.000 -11.712) 11.712 17.205 ( -3.484 0.000 14.693) 15.100 17.646 ( 0.092 0.000 -4.641) 4.642 24.881 ( -3.792 0.000 -3.250) 4.994 25.138 ( -0.588 0.000 0.905) 1.079 26.064 ( -1.892 0.000 -1.590) 2.471 26.327 ( 2.706 0.000 -0.245) 2.717 26.459 ( -4.951 0.000 2.668) 5.624 26.996 ( 0.131 0.000 0.462) 0.480 27.872 ( -4.287 0.000 -1.261) 4.469 28.802 ( 7.140 0.000 0.683) 7.173 ======================= Grid point 235 (106/215) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -24.636 0.000 24.049) 34.428 1.377 ( -41.156 0.000 0.206) 41.157 2.427 ( -54.678 0.000 32.496) 63.605 3.302 ( 14.833 0.000 14.065) 20.441 3.581 ( 7.434 0.000 2.224) 7.760 3.829 ( 24.749 0.000 -4.068) 25.082 4.374 ( -7.751 0.000 21.310) 22.676 4.800 ( 15.075 0.000 -8.458) 17.286 5.040 ( 11.328 0.000 -10.844) 15.682 5.157 ( 14.948 0.000 -10.703) 18.385 5.613 ( 8.218 0.000 7.068) 10.839 5.775 ( 6.333 0.000 -5.387) 8.314 6.200 ( -7.639 0.000 -7.732) 10.869 6.203 ( 8.959 0.000 10.898) 14.108 6.633 ( -7.700 0.000 0.090) 7.700 6.720 ( -0.584 0.000 -4.810) 4.845 7.064 ( -15.377 0.000 -0.759) 15.396 7.229 ( -0.954 0.000 3.878) 3.993 7.234 ( 2.685 0.000 -6.950) 7.451 7.589 ( 9.082 0.000 6.205) 10.999 8.051 ( -1.781 0.000 -14.791) 14.898 8.325 ( -2.691 0.000 -12.083) 12.379 9.108 ( 5.415 0.000 11.871) 13.048 9.690 ( 0.142 0.000 2.361) 2.365 10.274 ( -6.925 0.000 0.938) 6.988 10.455 ( -10.556 0.000 -0.462) 10.566 11.052 ( 4.708 0.000 -4.594) 6.578 11.094 ( 7.117 0.000 7.505) 10.343 11.575 ( 3.376 0.000 -1.215) 3.588 12.057 ( -1.894 0.000 -16.916) 17.022 12.490 ( -2.157 0.000 9.788) 10.023 13.175 ( -6.016 0.000 -4.697) 7.632 13.861 ( -2.899 0.000 -6.118) 6.770 13.875 ( 5.858 0.000 1.161) 5.972 15.718 ( 0.370 0.000 6.282) 6.293 16.073 ( 0.885 0.000 -0.149) 0.898 16.317 ( -5.260 0.000 -0.361) 5.272 16.631 ( -8.488 0.000 -17.890) 19.801 17.502 ( 8.836 0.000 24.934) 26.453 17.595 ( -0.687 0.000 -2.191) 2.296 24.810 ( -1.826 0.000 -0.514) 1.897 25.125 ( -1.347 0.000 -0.358) 1.394 26.020 ( -1.887 0.000 -0.056) 1.888 26.349 ( 1.858 0.000 -2.226) 2.900 26.433 ( -3.565 0.000 4.357) 5.629 26.969 ( -3.448 0.000 -0.481) 3.481 27.854 ( 0.881 0.000 2.746) 2.884 28.877 ( 4.274 0.000 -4.418) 6.147 ======================= Grid point 236 (107/215) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.482 0.000 35.578) 35.581 1.320 ( -11.440 0.000 39.109) 40.748 2.301 ( -35.307 0.000 57.475) 67.454 3.668 ( 9.145 0.000 13.141) 16.009 3.752 ( 6.300 0.000 7.475) 9.776 4.152 ( 11.275 0.000 10.371) 15.319 4.589 ( 6.085 0.000 13.848) 15.126 4.638 ( -0.873 0.000 -26.979) 26.993 5.094 ( 8.335 0.000 -5.708) 10.102 5.336 ( 14.442 0.000 -8.552) 16.784 5.537 ( -11.990 0.000 -9.361) 15.211 5.821 ( 0.105 0.000 7.381) 7.382 6.178 ( -3.212 0.000 0.600) 3.267 6.361 ( 0.487 0.000 5.339) 5.361 6.427 ( -3.604 0.000 -6.583) 7.505 6.784 ( 6.685 0.000 3.604) 7.595 6.885 ( -7.084 0.000 1.049) 7.161 7.132 ( -2.690 0.000 -7.663) 8.122 7.243 ( -2.579 0.000 3.200) 4.109 7.678 ( 4.174 0.000 -12.004) 12.709 7.921 ( 6.311 0.000 -14.875) 16.158 8.100 ( -2.661 0.000 -15.729) 15.953 9.310 ( -1.730 0.000 14.448) 14.551 9.708 ( 0.670 0.000 0.649) 0.933 10.222 ( -0.841 0.000 1.225) 1.486 10.256 ( -13.004 0.000 2.136) 13.178 11.057 ( 3.053 0.000 -4.904) 5.777 11.218 ( 0.358 0.000 0.527) 0.637 11.628 ( 4.963 0.000 -1.014) 5.066 11.643 ( -14.301 0.000 -9.584) 17.215 12.802 ( 11.270 0.000 12.691) 16.973 13.065 ( -2.424 0.000 -1.660) 2.938 13.716 ( -3.848 0.000 -3.313) 5.077 13.946 ( 2.068 0.000 0.125) 2.072 15.810 ( 1.472 0.000 4.848) 5.067 16.084 ( 0.262 0.000 0.250) 0.362 16.211 ( -5.924 0.000 -1.774) 6.184 16.321 ( -7.293 0.000 -9.454) 11.940 17.596 ( 2.128 0.000 1.071) 2.382 17.885 ( 7.952 0.000 7.591) 10.993 24.816 ( 0.834 0.000 2.063) 2.225 25.092 ( -1.381 0.000 -1.486) 2.029 26.026 ( 1.270 0.000 2.038) 2.401 26.332 ( 0.607 0.000 -3.806) 3.854 26.459 ( 0.460 0.000 4.497) 4.520 26.889 ( -3.928 0.000 -2.330) 4.567 27.950 ( 3.178 0.000 7.147) 7.822 28.810 ( -2.915 0.000 -7.678) 8.213 ======================= Grid point 237 (108/215) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -1.543 -8.774 39.604) 40.593 1.884 ( 6.566 9.339 38.940) 40.580 3.140 ( 3.085 35.472 51.579) 62.675 3.564 ( -5.449 -12.951 -3.570) 14.497 3.977 ( 5.089 -5.774 -23.390) 24.624 4.255 ( -4.144 -3.661 4.213) 6.952 4.404 ( -4.170 7.071 6.622) 10.547 4.758 ( 5.738 -2.963 8.164) 10.410 4.964 ( -10.416 -6.101 7.942) 14.449 5.359 ( 2.341 -1.352 -4.513) 5.261 5.453 ( 6.658 0.990 3.672) 7.668 5.833 ( -2.538 -5.915 5.668) 8.577 6.094 ( 2.965 8.270 -6.828) 11.127 6.286 ( -11.490 -1.247 -1.049) 11.605 6.484 ( 1.794 0.234 -1.919) 2.638 6.764 ( 3.184 -0.270 -7.761) 8.393 6.919 ( 3.789 -1.245 -0.876) 4.083 7.123 ( 0.201 1.248 0.294) 1.298 7.259 ( -4.684 0.606 -8.949) 10.119 7.501 ( 1.087 -3.870 -2.454) 4.709 7.719 ( 3.876 2.350 -15.643) 16.286 8.032 ( 2.893 7.295 -14.935) 16.871 9.363 ( -9.494 -3.156 9.943) 14.105 9.716 ( 3.028 -1.523 -0.016) 3.390 10.083 ( -0.242 -4.246 4.253) 6.015 10.290 ( 2.993 -1.776 -2.335) 4.191 11.003 ( -6.568 -1.979 -4.428) 8.164 11.149 ( 2.751 0.138 -3.303) 4.301 11.545 ( -2.991 3.746 5.845) 7.559 11.821 ( 2.668 10.277 -3.414) 11.153 12.800 ( -0.421 -9.182 7.806) 12.059 13.144 ( 3.689 -0.432 -5.006) 6.234 13.676 ( 0.628 -3.672 3.263) 4.953 13.944 ( -1.766 -0.132 -5.293) 5.581 15.777 ( -5.276 -4.277 3.545) 7.661 16.017 ( 0.075 -2.902 -1.644) 3.336 16.206 ( -0.850 7.099 -1.278) 7.263 16.354 ( 1.560 10.347 -4.036) 11.216 17.623 ( 7.015 -6.040 6.218) 11.151 17.860 ( -5.506 -3.296 0.251) 6.422 24.885 ( 1.620 1.902 2.630) 3.628 25.060 ( -0.799 0.855 -2.260) 2.545 26.092 ( 1.469 1.311 1.673) 2.584 26.286 ( -0.450 0.504 -3.907) 3.965 26.559 ( 3.433 0.911 2.684) 4.452 26.792 ( -2.083 -1.192 -3.221) 4.016 28.041 ( 2.514 -4.625 11.835) 12.953 28.703 ( -3.837 2.932 -9.467) 10.628 ======================= Grid point 238 (109/215) ======================= q-point: ( 0.08 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -7.292 -9.162 39.356) 41.061 2.447 ( 7.997 7.433 37.510) 39.066 3.204 ( -14.992 -14.701 -23.879) 31.798 3.684 ( 4.077 0.979 -25.045) 25.394 3.988 ( 0.359 9.513 27.468) 29.071 4.161 ( 0.239 5.836 10.652) 12.148 4.261 ( -9.507 1.910 6.521) 11.686 4.848 ( -4.803 0.378 10.644) 11.684 5.117 ( 0.483 -0.920 13.841) 13.879 5.233 ( -8.855 3.621 1.480) 9.681 5.675 ( 6.453 3.352 -8.250) 10.998 5.857 ( 10.996 0.079 9.504) 14.534 6.021 ( -12.078 1.702 -6.720) 13.926 6.190 ( 1.222 0.895 7.339) 7.494 6.443 ( -4.800 -3.389 -3.509) 6.844 6.644 ( 0.021 1.331 -13.579) 13.644 6.866 ( -1.736 1.247 -12.888) 13.064 7.131 ( 4.380 -7.380 -3.426) 9.241 7.202 ( 5.339 -5.669 1.497) 7.930 7.500 ( 3.070 3.084 -5.604) 7.095 7.648 ( 4.096 4.278 -6.558) 8.836 7.943 ( 5.084 8.055 -11.038) 14.579 9.290 ( -12.388 -4.492 8.838) 15.867 9.755 ( 0.398 -3.010 3.015) 4.279 10.081 ( -4.419 -4.570 -3.364) 7.192 10.351 ( 6.362 -1.864 0.216) 6.633 10.860 ( -5.041 -6.708 -0.312) 8.397 11.199 ( 6.294 4.820 -1.980) 8.171 11.577 ( 0.632 3.300 2.268) 4.054 11.821 ( 0.318 9.113 -1.789) 9.292 12.855 ( -2.149 -5.272 5.320) 7.792 13.173 ( 6.948 -3.013 -4.601) 8.861 13.705 ( -3.626 -5.747 2.284) 7.169 13.849 ( -2.542 -0.589 -2.720) 3.769 15.731 ( -6.213 -3.900 5.520) 9.180 15.993 ( -0.663 -5.036 -0.839) 5.148 16.195 ( 1.298 8.023 -0.923) 8.179 16.357 ( 4.050 9.950 -3.890) 11.425 17.732 ( -4.149 -3.662 -0.653) 5.572 17.835 ( 6.350 -1.590 3.943) 7.642 24.951 ( 2.404 1.260 2.697) 3.826 25.021 ( -0.116 1.379 -2.838) 3.157 26.131 ( 0.780 1.123 1.770) 2.236 26.228 ( -0.345 1.567 -4.038) 4.345 26.665 ( 4.453 0.363 3.274) 5.539 26.748 ( 2.182 -0.638 -3.922) 4.533 28.207 ( 0.530 -3.317 11.492) 11.973 28.515 ( -5.453 0.709 -9.462) 10.944 ======================= Grid point 239 (110/215) ======================= q-point: ( 0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -2.921 -6.181 31.177) 31.918 2.643 ( -8.840 -7.362 -29.658) 31.812 3.002 ( 6.844 5.302 30.368) 31.578 3.371 ( -0.824 2.470 -23.239) 23.385 3.719 ( -21.092 -3.098 -1.138) 21.349 4.039 ( -12.263 -4.440 -2.892) 13.359 4.738 ( -8.672 2.284 2.286) 9.255 4.964 ( 1.796 2.088 2.204) 3.527 5.105 ( 12.962 8.694 24.467) 29.021 5.351 ( -4.210 9.674 15.111) 18.430 5.630 ( 5.586 0.274 -11.447) 12.740 5.769 ( -9.812 5.721 0.472) 11.368 6.100 ( -5.055 -2.563 -2.218) 6.086 6.226 ( -10.240 -1.464 -7.563) 12.814 6.278 ( 6.531 3.813 14.275) 16.154 6.560 ( 2.110 1.235 -6.329) 6.785 6.780 ( 6.973 -7.231 -3.515) 10.642 7.155 ( 6.505 -2.625 -8.005) 10.644 7.336 ( 6.339 -6.688 1.660) 9.363 7.487 ( 5.550 3.676 -5.006) 8.329 7.658 ( 2.790 1.636 -2.160) 3.889 7.903 ( 4.443 7.108 -9.236) 12.472 9.229 ( -9.067 -8.147 10.454) 16.058 9.762 ( -9.934 -6.572 -0.004) 11.911 9.895 ( -5.069 -2.075 -2.222) 5.911 10.469 ( 5.228 1.154 3.146) 6.209 10.855 ( 3.049 -8.321 0.328) 8.868 11.287 ( 5.870 6.109 0.497) 8.487 11.601 ( 1.881 1.907 -2.215) 3.476 11.785 ( -2.338 9.695 -0.986) 10.021 12.870 ( -3.708 -1.090 5.475) 6.702 13.179 ( 0.317 -5.844 -8.015) 9.924 13.638 ( -2.108 -3.534 -0.539) 4.150 13.825 ( -1.138 0.963 1.915) 2.427 15.726 ( -3.242 -8.101 5.816) 10.486 15.996 ( 1.460 -6.143 1.084) 6.407 16.229 ( 4.304 8.979 -0.884) 9.996 16.386 ( 4.592 8.912 -2.062) 10.235 17.647 ( -2.634 -2.887 -3.209) 5.056 17.964 ( 2.833 -0.330 2.882) 4.054 24.972 ( -0.139 1.153 -2.822) 3.051 25.037 ( 3.017 1.324 1.981) 3.844 26.150 ( 0.110 1.579 -0.426) 1.639 26.200 ( 0.845 3.380 -0.479) 3.517 26.718 ( 2.524 -0.597 -2.539) 3.629 26.805 ( 4.955 2.137 2.122) 5.799 28.300 ( -4.179 -2.975 -4.099) 6.567 28.344 ( -2.017 -2.035 4.578) 5.401 ======================= Grid point 240 (111/215) ======================= q-point: ( 0.25 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 9.484 -0.567 -18.032) 20.382 2.581 ( -2.094 -0.624 15.164) 15.321 3.037 ( -8.080 -5.214 -10.799) 14.460 3.220 ( -16.850 5.501 8.092) 19.485 3.626 ( 2.942 -2.115 -1.320) 3.857 3.845 ( -1.921 6.393 6.751) 9.494 4.565 ( -9.632 -4.932 -1.790) 10.968 4.823 ( -8.008 -3.225 -10.126) 13.307 5.170 ( -6.462 9.383 -5.553) 12.674 5.400 ( -7.876 9.226 -0.626) 12.146 5.605 ( -6.155 2.710 -6.796) 9.561 5.749 ( -4.877 -1.543 -3.381) 6.131 6.058 ( 2.957 2.532 2.506) 4.630 6.228 ( 12.627 4.234 18.650) 22.917 6.439 ( 3.003 -2.000 -5.285) 6.399 6.593 ( 4.999 -0.840 7.823) 9.322 6.951 ( 7.433 -4.306 7.784) 11.593 7.140 ( 5.307 -4.274 -8.975) 11.269 7.366 ( -0.459 -1.406 -2.882) 3.240 7.584 ( 8.326 1.903 -1.664) 8.701 7.710 ( 5.739 -0.922 2.257) 6.235 7.881 ( 4.888 4.563 -4.903) 8.292 9.213 ( -11.036 -12.159 6.541) 17.676 9.442 ( -17.421 -4.883 -2.295) 18.237 9.938 ( 0.080 -1.796 7.415) 7.630 10.577 ( 2.301 3.619 4.590) 6.282 10.916 ( 5.343 -10.664 -2.558) 12.199 11.387 ( 3.520 4.898 3.123) 6.793 11.575 ( 1.684 1.901 -6.721) 7.185 11.745 ( -2.041 10.856 0.788) 11.074 12.870 ( -5.494 1.027 6.731) 8.749 13.012 ( -5.147 -2.208 -8.995) 10.597 13.642 ( 1.004 -4.726 -0.087) 4.832 13.854 ( 1.634 4.515 2.767) 5.542 15.748 ( -1.265 -14.453 3.369) 14.895 16.058 ( 2.822 -6.087 1.862) 6.963 16.314 ( 7.003 9.192 0.966) 11.596 16.464 ( 6.996 8.577 -0.306) 11.073 17.567 ( -2.572 -3.433 -3.609) 5.605 17.974 ( -2.565 1.314 -1.306) 3.164 24.933 ( -0.013 1.876 -2.908) 3.461 25.107 ( 2.754 0.662 1.670) 3.289 26.142 ( 0.981 3.444 -1.446) 3.862 26.227 ( 0.645 4.631 2.088) 5.121 26.725 ( 3.179 -0.314 -3.587) 4.803 26.892 ( 1.235 3.300 3.369) 4.875 28.140 ( -1.473 -3.947 -9.223) 10.140 28.419 ( -2.491 -3.305 8.853) 9.772 ======================= Grid point 241 (112/215) ======================= q-point: ( 0.33 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 5.029 4.016 -2.613) 6.946 2.600 ( -4.004 4.072 -0.053) 5.712 2.757 ( -12.010 -4.951 -0.255) 12.993 3.142 ( -6.015 7.786 4.953) 11.015 3.527 ( 6.669 5.160 -14.632) 16.888 4.063 ( 1.575 -0.100 9.473) 9.604 4.373 ( -8.365 -2.622 -8.404) 12.143 4.592 ( -2.851 -0.969 -5.024) 5.857 4.995 ( -15.979 -2.400 -1.991) 16.280 5.240 ( -3.284 3.317 2.798) 5.442 5.518 ( -0.814 11.636 -4.149) 12.381 5.548 ( 0.652 1.442 -12.225) 12.327 6.121 ( 3.840 -0.934 -5.177) 6.513 6.338 ( 2.495 -1.675 -3.231) 4.412 6.660 ( 5.398 0.168 1.095) 5.510 6.701 ( 3.896 -0.998 3.880) 5.588 7.082 ( -1.753 -7.254 2.428) 7.847 7.184 ( 5.446 -3.140 3.498) 7.194 7.325 ( 2.350 -1.347 -4.607) 5.344 7.659 ( 5.451 1.049 -3.931) 6.802 7.914 ( 9.922 1.487 3.929) 10.775 7.985 ( 9.083 2.671 11.149) 14.627 8.885 ( -21.389 -7.321 -7.641) 23.864 9.331 ( -11.919 -7.636 12.007) 18.562 10.027 ( -1.384 -2.788 8.763) 9.299 10.636 ( -1.700 3.618 4.308) 5.877 10.950 ( 5.553 -12.496 -5.949) 14.912 11.440 ( -2.109 -2.367 1.426) 3.476 11.534 ( 4.520 8.363 -5.776) 11.123 11.738 ( -1.148 10.941 1.591) 11.116 12.848 ( -2.920 0.322 1.120) 3.143 12.898 ( -3.673 3.440 3.041) 5.879 13.645 ( 0.260 -4.305 -0.437) 4.335 13.929 ( 2.527 6.766 3.226) 7.910 15.763 ( -0.617 -17.343 1.686) 17.435 16.097 ( 1.366 -5.221 -1.002) 5.488 16.468 ( 6.813 7.244 4.508) 10.919 16.592 ( 9.643 8.384 -0.393) 12.784 17.478 ( -3.585 -4.134 -3.120) 6.298 17.873 ( -4.427 2.552 -5.050) 7.184 24.912 ( 0.919 2.351 -1.497) 2.935 25.157 ( 1.698 0.301 0.779) 1.892 26.150 ( 1.577 4.883 -0.682) 5.177 26.258 ( -0.132 6.198 2.172) 6.569 26.735 ( 3.138 -0.686 -3.054) 4.432 26.912 ( -2.944 3.293 2.072) 4.879 28.065 ( 3.727 -4.072 -5.893) 8.074 28.460 ( -4.007 -3.799 6.295) 8.373 ======================= Grid point 242 (113/215) ======================= q-point: ( 0.42 0.11 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -10.152 6.653 5.719) 13.417 2.449 ( -9.048 3.659 0.491) 9.772 2.801 ( 7.787 4.509 0.571) 9.017 3.128 ( 0.677 6.850 3.119) 7.557 3.486 ( 10.414 4.750 -18.076) 21.395 3.948 ( -10.747 5.052 -9.288) 15.076 4.203 ( -1.750 -1.440 -10.334) 10.580 4.528 ( -7.929 5.919 0.539) 9.909 4.844 ( -1.583 -12.150 9.136) 15.284 5.178 ( -6.588 -2.058 -5.594) 8.884 5.489 ( 1.741 5.825 1.184) 6.194 5.579 ( 11.190 3.961 -5.135) 12.934 6.116 ( 8.498 -1.623 -7.749) 11.615 6.324 ( -2.661 1.615 -2.539) 4.017 6.596 ( -1.303 -3.163 -3.066) 4.594 6.822 ( -1.166 -2.549 3.265) 4.303 7.007 ( -2.213 -5.422 -3.328) 6.735 7.251 ( -4.620 -3.038 -2.282) 5.981 7.348 ( 9.500 1.493 -1.266) 9.699 7.654 ( 0.191 -3.571 -5.551) 6.604 8.011 ( 3.065 2.730 -0.344) 4.120 8.385 ( 9.776 -6.646 3.853) 12.434 8.561 ( -5.971 1.807 9.629) 11.473 9.243 ( -15.748 -4.605 10.105) 19.270 10.102 ( -3.441 -4.454 10.522) 11.933 10.642 ( -2.793 1.419 3.747) 4.884 10.956 ( 5.319 -12.026 -7.603) 15.190 11.366 ( -1.774 -4.085 -6.730) 8.070 11.566 ( 1.154 9.273 1.528) 9.468 11.734 ( -0.399 11.184 -0.336) 11.196 12.868 ( 2.101 0.047 3.515) 4.095 12.915 ( -3.402 3.991 8.038) 9.597 13.651 ( 0.939 -1.994 0.199) 2.213 13.992 ( 0.549 8.197 2.645) 8.630 15.766 ( -1.310 -16.578 1.315) 16.682 16.084 ( 0.524 -5.811 -3.260) 6.684 16.582 ( 0.438 6.895 4.297) 8.136 16.759 ( 11.566 7.583 -0.549) 13.841 17.389 ( -4.142 -3.528 -1.405) 5.619 17.747 ( -1.840 1.897 -6.661) 7.166 24.933 ( 2.248 2.168 0.743) 3.210 25.175 ( 0.100 0.096 -0.298) 0.329 26.174 ( 1.840 5.714 0.181) 6.006 26.270 ( -1.198 7.070 1.389) 7.304 26.752 ( 2.063 -1.486 -1.501) 2.953 26.861 ( -3.514 2.706 -0.736) 4.496 28.116 ( 7.657 -3.352 -1.189) 8.443 28.434 ( -6.405 -3.502 2.948) 7.872 ======================= Grid point 243 (114/215) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -7.835 8.198 8.850) 14.385 2.411 ( 2.456 6.307 2.440) 7.194 2.878 ( 0.480 1.340 -4.052) 4.295 3.210 ( 7.555 11.023 1.443) 13.441 3.471 ( 13.510 4.426 -15.992) 21.398 3.662 ( -13.779 5.830 -4.688) 15.679 4.047 ( 5.778 6.612 -13.229) 15.878 4.408 ( -6.628 7.004 -3.911) 10.406 4.925 ( -4.634 -12.068 7.027) 14.714 5.115 ( 4.350 -5.232 0.377) 6.815 5.459 ( 0.964 -1.857 -7.588) 7.871 5.620 ( -0.983 -2.479 -7.948) 8.383 6.171 ( -8.802 0.797 2.090) 9.082 6.279 ( 9.203 2.581 -2.476) 9.873 6.569 ( -5.673 -3.260 5.935) 8.833 6.705 ( -9.431 -0.567 2.960) 9.901 7.025 ( 3.968 -0.288 -1.443) 4.232 7.159 ( 0.543 -4.471 -3.336) 5.605 7.470 ( 11.007 -2.532 -9.065) 14.482 7.552 ( -2.333 -3.575 -3.924) 5.798 8.021 ( 0.193 2.575 -1.559) 3.016 8.311 ( -0.155 -4.590 -4.785) 6.632 8.916 ( 10.423 -3.297 13.671) 17.504 9.121 ( -10.639 1.114 9.247) 14.139 10.174 ( -4.944 -6.148 13.097) 15.290 10.648 ( -3.253 0.701 5.268) 6.230 10.935 ( 4.046 -11.370 -8.572) 14.803 11.245 ( -1.262 -2.967 -9.008) 9.568 11.588 ( -1.649 8.461 2.498) 8.975 11.726 ( 2.145 11.958 -2.424) 12.388 12.945 ( -4.120 0.675 9.183) 10.087 13.000 ( 5.745 -0.818 4.628) 7.422 13.686 ( 1.269 1.900 2.748) 3.573 13.997 ( -1.859 8.955 -0.109) 9.147 15.747 ( -3.599 -13.241 1.628) 13.818 16.046 ( 0.603 -7.971 -4.194) 9.027 16.594 ( -4.490 7.185 3.944) 9.345 16.915 ( 8.730 6.833 -1.160) 11.147 17.310 ( -5.099 -1.321 0.190) 5.271 17.676 ( 3.187 -0.639 -6.898) 7.625 24.994 ( 2.810 1.373 2.470) 3.985 25.152 ( -1.679 0.034 -1.464) 2.228 26.210 ( 1.359 5.840 1.188) 6.112 26.256 ( -1.274 6.838 0.263) 6.960 26.720 ( -5.041 -0.191 -0.283) 5.052 26.843 ( 4.218 0.784 -2.516) 4.974 28.258 ( 8.361 -3.136 2.190) 9.194 28.332 ( -7.948 -2.425 -0.017) 8.310 ======================= Grid point 244 (115/215) ======================= q-point: (-0.42 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -1.848 5.884 5.925) 8.552 2.510 ( -0.451 7.706 3.116) 8.324 2.781 ( 2.082 12.479 -4.883) 13.561 3.240 ( -8.935 0.853 -8.559) 12.403 3.455 ( 8.522 7.737 -6.691) 13.313 3.591 ( 11.609 13.698 -4.572) 18.528 4.113 ( 10.191 1.368 2.636) 10.615 4.317 ( 9.380 6.916 -11.582) 16.430 4.849 ( -11.450 -10.881 1.376) 15.856 5.123 ( -13.839 0.992 -3.487) 14.306 5.352 ( -4.628 -10.032 -0.410) 11.056 5.482 ( 4.388 -7.895 -10.183) 13.612 5.935 ( -14.801 0.053 4.401) 15.442 6.415 ( 4.149 -1.480 0.994) 4.516 6.575 ( -1.020 4.102 5.816) 7.189 6.750 ( -0.979 -3.015 11.480) 11.909 7.031 ( 2.447 -1.068 -4.120) 4.910 7.183 ( 2.833 -6.090 -1.065) 6.800 7.410 ( 3.655 -1.567 -10.760) 11.471 7.593 ( 3.658 -1.026 -0.886) 3.901 8.022 ( 6.408 3.084 -3.869) 8.096 8.295 ( 2.481 -2.747 -2.629) 4.540 8.979 ( -9.334 -2.282 8.915) 13.107 9.293 ( 12.165 -1.484 4.325) 12.996 10.257 ( -4.975 -7.930 13.853) 16.719 10.654 ( -6.149 2.501 7.944) 10.352 10.880 ( 2.407 -10.721 -9.234) 14.353 11.127 ( 0.333 -0.938 -9.073) 9.127 11.575 ( -1.759 7.859 0.772) 8.090 11.764 ( 4.951 10.824 -0.533) 11.915 12.958 ( -5.010 -1.181 4.950) 7.141 13.168 ( 8.160 -3.545 4.265) 9.866 13.743 ( -1.495 4.625 4.920) 6.916 13.948 ( -1.010 10.754 -1.722) 10.938 15.687 ( -6.768 -10.264 2.151) 12.481 16.015 ( 1.462 -9.124 -3.484) 9.876 16.554 ( -6.219 7.397 4.286) 10.572 16.989 ( 1.036 5.445 0.524) 5.568 17.237 ( -2.411 -0.687 -2.392) 3.465 17.671 ( 5.253 -1.926 -6.213) 8.361 25.066 ( 1.610 0.465 2.508) 3.017 25.090 ( -2.668 0.318 -2.256) 3.509 26.204 ( -2.541 5.107 -0.151) 5.707 26.280 ( 2.549 6.311 1.390) 6.947 26.628 ( -5.281 1.235 -0.507) 5.447 26.896 ( 4.983 -0.436 -1.741) 5.296 28.166 ( -9.798 -1.784 -1.856) 10.131 28.443 ( 9.094 -2.899 3.401) 10.133 ======================= Grid point 245 (116/215) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -15.331 20.255 0.730) 25.413 2.479 ( -7.998 4.721 2.757) 9.688 2.782 ( -3.497 12.370 1.006) 12.894 3.082 ( 9.771 3.725 -10.060) 14.510 3.446 ( 9.734 17.009 -7.168) 20.867 3.849 ( 11.074 -2.503 -2.148) 11.555 4.269 ( -3.350 2.807 -2.384) 4.979 4.333 ( -2.333 0.732 2.795) 3.714 4.644 ( -7.203 -8.629 1.074) 11.292 4.833 ( -2.375 -1.806 2.775) 4.075 5.279 ( 3.332 -10.242 -7.976) 13.402 5.590 ( 8.875 -3.405 5.376) 10.921 5.876 ( -1.958 -4.111 0.320) 4.565 6.443 ( -1.498 -5.911 3.149) 6.863 6.636 ( 1.193 1.331 0.310) 1.814 6.809 ( -1.930 -2.607 2.705) 4.223 7.057 ( 2.756 -1.157 1.694) 3.436 7.177 ( 0.298 -5.952 -3.160) 6.746 7.394 ( 3.182 4.223 -2.531) 5.862 7.565 ( -5.441 1.337 0.102) 5.604 8.179 ( 16.056 2.267 -1.499) 16.284 8.294 ( 1.241 -1.906 -3.636) 4.288 8.952 ( -5.249 -0.455 5.623) 7.705 9.483 ( 8.874 -4.280 -0.113) 9.853 10.328 ( -4.660 -9.076 9.370) 13.852 10.641 ( -7.445 3.613 7.090) 10.897 10.809 ( 0.662 -7.699 -3.846) 8.631 11.052 ( 2.934 0.253 -7.584) 8.136 11.567 ( 0.369 6.104 -0.368) 6.127 11.863 ( 6.144 7.747 2.374) 10.169 12.897 ( -6.168 -0.860 -0.664) 6.263 13.330 ( 7.064 -4.224 0.526) 8.247 13.695 ( -5.198 1.935 -1.122) 5.659 14.000 ( 3.730 15.206 5.224) 16.505 15.601 ( -7.344 -9.578 3.260) 12.502 16.007 ( 1.554 -7.511 -2.232) 7.988 16.513 ( -5.467 7.267 4.626) 10.203 16.988 ( -3.321 4.072 3.972) 6.587 17.153 ( -2.003 -3.678 -7.302) 8.418 17.677 ( 3.601 -1.110 -4.807) 6.107 24.995 ( -3.964 0.689 -3.183) 5.130 25.122 ( 0.792 0.265 2.035) 2.200 26.155 ( -2.558 4.244 -0.989) 5.053 26.338 ( 2.036 5.223 1.489) 5.801 26.553 ( -3.818 3.075 0.290) 4.911 26.948 ( 3.163 -1.347 -0.535) 3.479 27.988 ( -8.753 -1.360 -2.654) 9.247 28.621 ( 8.371 -3.093 2.895) 9.382 ======================= Grid point 246 (117/215) ======================= q-point: (-0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -23.075 30.230 2.664) 38.123 2.098 ( -31.775 12.690 -0.495) 34.219 2.957 ( 7.786 5.026 3.646) 9.959 3.115 ( -14.430 10.556 5.832) 18.806 3.410 ( 0.593 -3.096 -5.158) 6.045 3.760 ( 6.280 15.310 0.272) 16.550 4.248 ( -15.266 -8.655 13.811) 22.332 4.440 ( 23.278 -1.963 -3.248) 23.585 4.721 ( 11.549 -14.353 -6.678) 19.596 5.028 ( 12.408 -1.205 6.929) 14.263 5.360 ( 11.405 -4.534 2.280) 12.483 5.744 ( 1.399 -5.338 -10.632) 11.979 5.863 ( 6.366 -1.999 9.430) 11.552 6.399 ( -5.205 -5.540 -5.250) 9.238 6.644 ( 1.175 -2.247 2.239) 3.383 6.799 ( -2.879 -0.029 0.236) 2.889 7.115 ( 0.953 -4.103 2.507) 4.902 7.165 ( 3.926 -4.084 -4.025) 6.950 7.358 ( -10.101 2.150 4.102) 11.112 7.517 ( 1.874 7.442 -1.267) 7.778 8.223 ( -0.901 -1.008 -8.691) 8.795 8.398 ( 9.532 2.256 -1.210) 9.870 8.958 ( 0.833 0.651 3.575) 3.728 9.585 ( 4.416 -5.809 0.284) 7.303 10.305 ( -7.641 -5.642 3.272) 10.046 10.552 ( -6.604 -3.085 -2.087) 7.582 10.890 ( 4.547 -1.531 8.950) 10.155 11.042 ( 4.558 0.928 -3.813) 6.014 11.562 ( 0.021 3.081 -1.843) 3.590 12.014 ( 7.942 3.837 3.976) 9.675 12.738 ( -9.331 3.283 -5.816) 11.475 13.332 ( -3.031 -1.360 -4.972) 5.979 13.671 ( 3.333 -4.153 0.167) 5.328 14.116 ( 4.099 17.035 1.428) 17.580 15.563 ( -2.954 -8.976 5.177) 10.775 16.007 ( 0.836 -5.384 -0.907) 5.524 16.490 ( -4.078 8.024 3.775) 9.760 16.918 ( -2.801 -0.028 -16.413) 16.650 17.076 ( -5.363 -7.053 14.132) 16.680 17.673 ( 1.314 1.152 -1.752) 2.475 24.898 ( -3.471 1.689 -2.611) 4.661 25.141 ( -0.524 0.220 0.880) 1.048 26.104 ( -2.355 3.909 -0.942) 4.660 26.364 ( -0.368 2.458 0.538) 2.542 26.521 ( -1.237 5.998 0.972) 6.201 26.976 ( -0.111 -1.802 0.891) 2.014 27.845 ( -5.624 -2.474 -1.603) 6.350 28.770 ( 7.681 -2.800 0.572) 8.195 ======================= Grid point 247 (118/215) ======================= q-point: (-0.17 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -34.118 19.700 -6.294) 39.897 1.642 ( -33.976 16.156 11.209) 39.256 2.628 ( -38.935 22.360 36.337) 57.761 3.356 ( 12.284 6.108 7.494) 15.633 3.618 ( 19.693 0.381 2.658) 19.876 3.938 ( 9.696 10.256 2.938) 14.416 4.274 ( -4.331 -7.242 17.337) 19.282 4.586 ( 8.069 -17.346 -15.188) 24.426 4.937 ( 22.418 -4.232 -2.629) 22.965 5.229 ( 7.792 -1.249 -5.332) 9.524 5.541 ( -0.149 -7.051 -0.565) 7.075 5.668 ( 5.332 -5.858 4.860) 9.293 6.106 ( 9.377 -3.384 2.299) 10.231 6.243 ( -4.810 -2.035 -0.825) 5.288 6.664 ( -3.123 2.441 -1.105) 4.115 6.728 ( -3.261 1.386 1.073) 3.702 7.090 ( -6.401 -0.073 -3.780) 7.434 7.173 ( -1.386 -3.915 2.819) 5.019 7.301 ( 3.328 3.326 -2.044) 5.130 7.549 ( 1.494 -0.656 1.340) 2.111 8.064 ( -1.906 1.203 -13.515) 13.702 8.377 ( 0.090 4.196 -12.936) 13.600 9.110 ( 5.942 0.065 11.072) 12.566 9.636 ( 1.633 -6.321 0.121) 6.530 10.192 ( -8.104 -3.788 0.241) 8.949 10.422 ( -6.878 -4.291 -1.220) 8.198 11.031 ( 5.148 -1.205 -1.670) 5.545 11.154 ( 5.469 3.246 8.250) 10.416 11.520 ( -1.112 -1.657 -2.829) 3.462 12.132 ( 2.898 4.060 -8.516) 9.869 12.534 ( -7.433 4.561 4.392) 9.764 13.211 ( -3.218 0.084 -4.507) 5.538 13.720 ( 1.740 -6.289 -1.386) 6.671 14.123 ( 2.467 14.623 -9.044) 17.369 15.639 ( 3.744 -6.189 5.838) 9.295 16.011 ( -0.000 -4.422 0.437) 4.443 16.450 ( -4.501 9.424 -0.762) 10.472 16.606 ( -9.457 -1.958 -14.413) 17.350 17.256 ( 2.099 -11.716 16.513) 20.356 17.712 ( 2.237 3.249 5.590) 6.842 24.838 ( -1.640 2.602 -0.286) 3.089 25.129 ( -1.289 0.325 -0.305) 1.364 26.062 ( -2.023 3.970 0.113) 4.457 26.349 ( -1.390 0.456 -0.058) 1.464 26.518 ( -0.631 6.315 0.280) 6.353 26.957 ( -3.381 -1.049 0.271) 3.550 27.792 ( -1.754 -5.129 3.200) 6.295 28.864 ( 6.340 -1.345 -4.367) 7.815 ======================= Grid point 248 (119/215) ======================= q-point: (-0.08 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -3.714 13.297 24.652) 28.254 1.479 ( -16.570 12.261 32.809) 38.746 2.707 ( -21.751 33.607 50.281) 64.271 3.549 ( 5.733 -2.607 2.021) 6.614 3.978 ( 11.237 7.856 8.850) 16.319 4.129 ( 2.082 -1.853 14.466) 14.732 4.376 ( 6.788 -12.883 -13.500) 19.857 4.573 ( 8.331 -3.690 2.447) 9.434 5.068 ( -2.344 -5.809 -5.410) 8.277 5.299 ( 12.180 -1.790 -4.807) 13.216 5.475 ( -2.620 -5.853 -2.673) 6.947 5.772 ( -2.910 -5.196 4.928) 7.730 6.166 ( -1.424 -1.897 2.496) 3.443 6.302 ( 3.739 -2.326 4.821) 6.529 6.537 ( -4.534 7.347 -6.347) 10.716 6.751 ( 1.329 -0.505 2.470) 2.850 6.943 ( -4.213 4.191 -3.440) 6.866 7.150 ( -4.122 -2.168 1.298) 4.835 7.332 ( 4.591 9.575 -5.033) 11.751 7.561 ( -0.102 -11.742 -3.914) 12.377 7.873 ( 1.196 1.415 -16.552) 16.656 8.193 ( 1.223 5.642 -17.100) 18.048 9.316 ( -0.551 -1.481 12.749) 12.847 9.657 ( 2.832 -4.144 -0.354) 5.032 10.090 ( -5.193 -4.190 1.403) 6.819 10.316 ( -4.292 -1.487 -0.722) 4.600 11.064 ( 4.005 0.203 -4.561) 6.073 11.224 ( -4.132 1.074 -0.846) 4.352 11.515 ( -0.232 -1.563 4.043) 4.341 11.905 ( -5.448 13.669 -11.167) 18.472 12.665 ( 2.409 -7.494 12.759) 14.992 13.151 ( 2.004 0.263 -4.137) 4.604 13.680 ( -2.363 -2.745 -1.999) 4.137 14.029 ( 0.654 6.267 -8.562) 10.631 15.764 ( 2.701 -4.278 3.496) 6.149 16.019 ( 0.544 -3.240 0.089) 3.287 16.289 ( -5.946 4.620 -5.983) 9.617 16.415 ( -3.960 8.743 -2.768) 9.989 17.452 ( 4.539 -10.654 7.730) 13.924 17.855 ( 1.742 -2.226 7.432) 7.951 24.841 ( 0.482 2.421 1.877) 3.101 25.098 ( -1.301 0.514 -1.336) 1.934 26.055 ( 0.120 2.916 1.579) 3.318 26.326 ( -0.438 -0.052 -1.704) 1.760 26.512 ( -0.274 3.625 1.017) 3.775 26.880 ( -4.467 -0.856 -2.073) 4.998 27.871 ( 1.704 -5.980 9.659) 11.488 28.843 ( 1.132 1.777 -9.269) 9.506 ======================= Grid point 249 (120/215) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -1.034 8.048 20.383) 21.939 2.148 ( 4.641 16.318 30.068) 34.524 3.231 ( -3.358 -15.464 -17.812) 23.826 3.696 ( 4.465 0.792 3.815) 5.926 3.926 ( 3.696 3.256 18.485) 19.130 4.136 ( -11.498 2.976 13.034) 17.633 4.636 ( -3.129 2.613 5.337) 6.716 4.688 ( 12.581 -0.603 0.992) 12.635 4.916 ( -5.437 8.061 7.687) 12.395 5.312 ( 0.050 -0.459 7.162) 7.177 5.527 ( 3.502 3.961 3.154) 6.157 5.686 ( -0.145 -3.828 14.424) 14.924 6.135 ( 1.289 -3.866 -3.674) 5.487 6.246 ( -9.091 -4.075 1.632) 10.095 6.585 ( 3.024 3.219 -4.251) 6.130 6.674 ( 2.657 -2.831 -8.873) 9.685 6.920 ( -2.963 -3.787 -4.662) 6.698 7.030 ( -4.336 -4.330 -1.196) 6.243 7.286 ( -2.090 6.627 -5.150) 8.649 7.633 ( 3.169 11.667 -1.383) 12.169 7.790 ( 3.454 3.924 -13.088) 14.093 8.166 ( 3.690 6.705 -13.658) 15.656 9.211 ( -7.641 -11.248 6.871) 15.236 9.663 ( 3.120 -4.919 -0.121) 5.826 10.058 ( 7.470 -0.089 -2.422) 7.853 10.230 ( -0.376 -1.965 -3.746) 4.247 10.950 ( -15.085 -3.524 -3.423) 15.865 11.123 ( 8.313 -2.342 -2.664) 9.038 11.650 ( -3.371 6.042 7.450) 10.166 12.020 ( 0.821 8.245 -4.218) 9.297 12.635 ( 1.185 -6.889 6.007) 9.217 13.012 ( 3.134 -10.602 -4.222) 11.834 13.635 ( 0.242 -0.988 1.066) 1.474 13.925 ( -2.707 -1.409 -9.096) 9.594 15.693 ( -2.286 -3.709 6.202) 7.579 16.017 ( -2.957 2.292 -2.053) 4.267 16.345 ( -0.478 6.515 -0.241) 6.537 16.551 ( 3.078 8.485 -5.881) 10.773 17.499 ( 7.649 -5.321 9.000) 12.954 17.782 ( -5.260 -4.377 1.467) 6.998 24.935 ( 1.046 2.600 2.331) 3.645 25.084 ( -0.539 1.657 -1.872) 2.557 26.131 ( 0.328 2.406 0.881) 2.584 26.297 ( -0.176 0.469 -3.540) 3.576 26.577 ( 2.239 0.813 1.942) 3.073 26.767 ( -2.099 -1.322 -2.596) 3.590 27.951 ( 2.492 -3.895 13.628) 14.391 28.739 ( -2.391 0.542 -11.484) 11.743 ======================= Grid point 250 (121/215) ======================= q-point: ( 0.08 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 3.695 2.208 26.076) 26.429 2.581 ( 5.614 6.294 26.906) 28.197 2.892 ( -5.329 -13.400 -22.015) 26.317 3.629 ( 4.056 -3.634 -22.050) 22.713 3.914 ( -21.921 -7.848 6.060) 24.060 4.344 ( -4.724 4.609 0.549) 6.623 4.549 ( 2.243 9.647 22.443) 24.531 4.827 ( -2.014 3.199 17.530) 17.933 5.168 ( 5.661 5.006 4.681) 8.889 5.322 ( -0.971 7.565 7.760) 10.881 5.698 ( -3.008 -1.019 15.047) 15.379 5.831 ( 3.537 -2.224 5.635) 7.015 6.047 ( -2.840 3.614 2.318) 5.148 6.197 ( 1.058 -4.412 -0.659) 4.585 6.471 ( -2.019 5.912 -12.794) 14.238 6.663 ( -0.464 -0.630 -9.969) 10.000 6.765 ( -1.252 -7.082 -8.538) 11.163 6.962 ( 0.221 -4.683 -0.511) 4.716 7.236 ( -0.071 6.532 0.183) 6.535 7.608 ( 2.892 7.151 -8.729) 11.649 7.760 ( 2.864 6.060 -3.284) 7.464 8.094 ( 5.155 7.206 -11.045) 14.160 9.134 ( -12.040 -10.878 7.024) 17.681 9.685 ( 0.751 -4.773 -1.095) 4.954 10.013 ( -6.981 -1.839 -5.608) 9.141 10.290 ( 12.594 -3.506 -3.828) 13.622 10.736 ( -9.760 -5.799 3.316) 11.827 11.245 ( 9.250 0.176 -1.524) 9.377 11.664 ( -3.426 4.612 4.630) 7.379 12.009 ( 1.115 8.327 -2.022) 8.641 12.732 ( 2.983 -6.404 4.519) 8.387 13.025 ( 5.613 -10.989 -6.170) 13.796 13.638 ( -2.572 -0.758 1.170) 2.926 13.818 ( 0.195 -1.995 -4.314) 4.757 15.693 ( -7.568 0.414 5.634) 9.443 15.937 ( -3.298 -0.943 -0.183) 3.435 16.350 ( 1.536 7.058 0.232) 7.227 16.536 ( 3.063 7.475 -5.436) 9.737 17.641 ( -2.742 -4.960 1.336) 5.823 17.785 ( 6.957 -3.194 3.852) 8.570 24.985 ( 1.500 1.860 2.203) 3.250 25.056 ( 0.275 2.068 -2.087) 2.951 26.160 ( 1.262 1.637 1.508) 2.559 26.256 ( 0.881 0.925 -3.478) 3.705 26.673 ( 5.159 0.353 2.611) 5.793 26.737 ( 3.044 -0.354 -2.942) 4.248 28.133 ( 0.148 -3.510 12.906) 13.376 28.525 ( -6.518 0.200 -11.841) 13.518 ======================= Grid point 251 (122/215) ======================= q-point: ( 0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 6.279 2.598 23.022) 24.003 2.506 ( 0.418 -5.261 -21.851) 22.479 3.009 ( 2.098 -1.607 14.909) 15.142 3.365 ( -4.674 -0.982 -11.648) 12.589 3.686 ( -11.525 -2.124 -0.384) 11.725 4.068 ( -12.402 4.483 -6.286) 14.609 4.711 ( -6.543 -4.903 4.880) 9.522 5.007 ( -6.180 3.944 -0.735) 7.367 5.247 ( 4.656 -0.379 13.128) 13.934 5.553 ( 1.626 8.171 12.808) 15.280 5.699 ( 0.324 6.448 4.948) 8.134 5.895 ( -1.182 4.456 -2.212) 5.113 6.114 ( -9.163 5.455 3.851) 11.338 6.179 ( -1.446 -3.049 -3.590) 4.927 6.312 ( -0.439 0.507 6.740) 6.773 6.555 ( 3.799 -4.384 -4.292) 7.216 6.706 ( 4.515 6.751 -5.861) 10.015 7.009 ( 5.341 -10.831 -2.480) 12.329 7.282 ( 4.520 2.826 0.425) 5.348 7.582 ( 3.626 4.490 -2.623) 6.339 7.744 ( 0.006 5.902 -3.031) 6.635 8.037 ( 3.762 6.597 -11.133) 13.476 9.033 ( -10.499 -10.979 7.242) 16.829 9.584 ( -12.769 -8.342 -3.511) 15.651 9.877 ( 0.511 -2.485 -2.903) 3.855 10.452 ( 9.716 -2.207 0.293) 9.968 10.706 ( -1.383 -6.644 4.062) 7.909 11.358 ( 5.562 1.018 0.007) 5.654 11.656 ( -1.559 3.066 0.864) 3.547 11.996 ( -0.456 9.954 -0.693) 9.988 12.822 ( 1.815 -3.808 3.618) 5.558 13.018 ( 2.478 -9.346 -6.528) 11.666 13.593 ( -0.712 -0.428 -2.070) 2.231 13.833 ( 2.316 -0.129 2.134) 3.151 15.588 ( -9.524 -5.143 1.516) 10.929 15.938 ( -0.699 0.359 4.497) 4.565 16.402 ( 4.609 7.822 -0.258) 9.083 16.530 ( 3.347 5.261 -2.599) 6.755 17.576 ( -1.465 -3.908 -4.237) 5.947 17.941 ( 4.357 -1.996 3.650) 6.025 25.005 ( 0.078 2.038 -1.389) 2.468 25.069 ( 2.366 1.681 0.991) 3.067 26.196 ( 1.758 2.683 0.300) 3.221 26.259 ( 2.773 2.133 -0.530) 3.538 26.726 ( 3.120 1.319 -2.300) 4.095 26.838 ( 7.464 0.881 2.099) 7.804 28.238 ( -4.764 -2.859 2.090) 5.936 28.293 ( -4.623 -2.580 -2.448) 5.833 ======================= Grid point 252 (123/215) ======================= q-point: ( 0.25 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 13.999 7.465 -12.701) 20.323 2.596 ( 4.965 2.988 14.613) 15.720 2.905 ( -14.978 -4.566 -0.581) 15.670 3.221 ( -11.888 -4.574 -1.251) 12.799 3.613 ( 8.111 -0.468 -6.064) 10.138 3.996 ( 2.499 6.891 6.157) 9.573 4.578 ( -11.209 3.183 -2.345) 11.885 4.819 ( -10.435 3.875 -6.350) 12.815 5.232 ( -8.714 -0.322 -2.532) 9.080 5.536 ( -6.186 1.760 -4.112) 7.633 5.681 ( -13.439 -0.011 -4.832) 14.281 5.804 ( 4.077 9.750 -6.989) 12.670 6.042 ( 1.651 -7.545 -2.348) 8.072 6.296 ( 3.249 0.835 12.145) 12.600 6.500 ( 5.916 2.824 8.825) 10.993 6.538 ( 3.643 5.007 2.404) 6.642 6.847 ( 3.440 -4.023 7.933) 9.537 7.019 ( 4.328 -6.550 -6.391) 10.123 7.348 ( 5.070 1.265 -3.998) 6.580 7.649 ( -0.701 1.831 6.321) 6.618 7.752 ( 7.567 4.687 -1.831) 9.087 7.973 ( 4.138 5.685 -6.763) 9.756 8.964 ( -10.508 -11.659 5.802) 16.733 9.292 ( -16.012 -8.089 -1.751) 18.025 9.909 ( 2.832 -2.889 1.043) 4.178 10.591 ( 5.223 -2.417 2.532) 6.288 10.738 ( 0.910 -6.893 0.651) 6.984 11.395 ( -0.617 -2.875 -0.944) 3.088 11.651 ( 1.038 4.476 -0.254) 4.602 11.986 ( -0.416 11.653 0.275) 11.663 12.867 ( -0.549 -1.569 1.908) 2.530 12.967 ( -0.837 -2.183 -2.002) 3.078 13.581 ( 2.173 -0.846 -2.659) 3.537 13.928 ( 3.926 2.628 5.274) 7.081 15.469 ( -6.743 -12.484 0.938) 14.220 15.986 ( -0.212 -0.787 3.669) 3.759 16.480 ( 6.014 7.018 0.045) 9.242 16.606 ( 7.338 5.606 0.493) 9.247 17.496 ( -1.017 -3.337 -6.113) 7.039 17.986 ( -1.087 -0.388 -0.417) 1.227 24.983 ( 0.250 2.890 -1.996) 3.521 25.123 ( 2.335 0.922 1.292) 2.823 26.229 ( 2.800 4.685 -0.508) 5.482 26.320 ( 3.394 3.774 1.748) 5.368 26.743 ( 2.761 2.188 -2.853) 4.533 26.960 ( 3.608 2.903 2.410) 5.220 28.051 ( -3.215 -4.215 -9.534) 10.909 28.336 ( -3.596 -4.446 8.883) 10.564 ======================= Grid point 253 (124/215) ======================= q-point: ( 0.33 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 1.967 5.383 -2.509) 6.256 2.650 ( -13.368 1.545 0.998) 13.494 2.763 ( 8.428 7.368 4.632) 12.115 3.184 ( -0.374 -0.709 7.518) 7.561 3.671 ( 11.753 5.327 -12.739) 18.132 4.067 ( -4.156 1.430 0.740) 4.456 4.370 ( -6.682 1.065 -2.830) 7.334 4.625 ( -3.492 6.077 -4.378) 8.264 4.979 ( -13.387 0.634 -9.210) 16.261 5.341 ( -15.222 3.901 2.623) 15.931 5.548 ( 6.849 -0.098 -6.871) 9.702 5.738 ( -0.389 7.895 -8.579) 11.666 6.042 ( 7.630 -6.327 -10.710) 14.593 6.350 ( -1.830 -0.390 3.086) 3.609 6.610 ( -0.283 -4.370 2.265) 4.930 6.699 ( -0.066 2.093 2.304) 3.114 6.903 ( 2.156 -6.310 3.535) 7.547 7.094 ( 3.019 -5.434 4.569) 7.715 7.346 ( 5.287 3.163 -6.686) 9.092 7.661 ( -1.190 -1.669 -2.213) 3.017 7.915 ( 8.943 -1.503 2.922) 9.528 8.087 ( 8.263 7.332 8.425) 13.893 8.751 ( -16.775 -4.504 -1.605) 17.443 9.147 ( -9.854 -9.412 9.777) 16.771 9.964 ( 1.527 -4.586 1.854) 5.177 10.644 ( -3.322 -4.454 2.699) 6.178 10.759 ( 4.635 -5.170 -3.060) 7.588 11.336 ( -1.713 -6.647 -4.521) 8.219 11.674 ( -0.244 5.020 2.470) 5.600 11.985 ( 0.573 12.024 -0.851) 12.068 12.861 ( -1.338 0.967 1.108) 1.988 12.971 ( -0.998 3.112 4.071) 5.220 13.595 ( 3.081 0.017 -1.276) 3.335 14.065 ( 3.329 6.181 7.126) 10.003 15.406 ( -3.366 -17.100 1.934) 17.536 16.004 ( -0.878 -3.302 0.623) 3.473 16.605 ( 7.141 6.194 2.569) 9.795 16.743 ( 8.503 6.327 0.833) 10.632 17.402 ( -1.050 -3.101 -6.610) 7.376 17.911 ( -4.135 0.895 -4.298) 6.031 24.973 ( 0.944 3.401 -1.161) 3.716 25.165 ( 1.431 0.497 0.585) 1.624 26.272 ( 3.196 6.548 -0.374) 7.297 26.394 ( 2.813 6.122 1.950) 7.014 26.743 ( 1.520 1.888 -2.636) 3.581 26.986 ( -2.432 3.659 0.298) 4.403 27.965 ( 3.590 -5.220 -4.918) 8.020 28.366 ( -4.415 -5.085 6.522) 9.375 ======================= Grid point 254 (125/215) ======================= q-point: ( 0.42 0.22 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -0.965 2.800 -0.270) 2.974 2.518 ( -11.782 5.199 6.568) 14.456 2.958 ( 5.917 9.189 -0.996) 10.974 3.280 ( 6.358 8.957 6.552) 12.790 3.635 ( 2.608 7.998 -12.625) 15.171 3.943 ( -7.690 -3.747 -2.687) 8.966 4.302 ( 4.351 8.118 -9.444) 13.192 4.598 ( -0.733 -3.547 1.598) 3.958 4.729 ( -5.189 7.636 -1.893) 9.424 5.133 ( -8.101 -2.743 -5.571) 10.207 5.554 ( -0.941 -1.649 -12.415) 12.560 5.682 ( 4.911 6.967 -0.501) 8.539 6.089 ( 11.480 -2.298 -6.937) 13.608 6.261 ( -2.532 -5.637 -7.501) 9.719 6.607 ( -7.243 2.887 9.481) 12.275 6.700 ( -0.831 -6.989 -0.614) 7.065 6.948 ( 1.193 -0.467 0.843) 1.533 7.139 ( -2.711 -6.497 0.935) 7.101 7.397 ( 9.350 1.666 -6.577) 11.552 7.569 ( -6.827 -4.060 -2.136) 8.225 8.026 ( 4.659 -2.204 -1.561) 5.385 8.253 ( 0.423 -3.004 -0.360) 3.055 8.633 ( -0.160 3.651 11.822) 12.374 9.128 ( -9.573 -5.672 11.896) 16.289 10.000 ( -0.740 -6.177 3.591) 7.184 10.594 ( -3.106 -6.557 0.010) 7.256 10.794 ( 3.363 -4.020 -2.885) 5.983 11.250 ( -0.548 -6.843 -6.678) 9.577 11.701 ( -1.582 4.461 4.447) 6.495 11.978 ( 1.154 11.408 -2.732) 11.787 12.868 ( -0.971 -0.014 3.233) 3.376 13.003 ( -1.382 3.986 3.925) 5.762 13.666 ( 4.582 4.134 3.213) 6.957 14.175 ( -0.517 9.086 6.589) 11.235 15.408 ( -0.792 -17.723 3.791) 18.142 15.972 ( -1.815 -4.545 -2.295) 5.406 16.722 ( 2.325 6.746 2.831) 7.677 16.893 ( 8.425 5.169 1.936) 10.072 17.322 ( 0.699 -2.644 -5.780) 6.395 17.778 ( -3.655 0.818 -6.803) 7.766 24.989 ( 1.747 3.145 0.262) 3.607 25.178 ( -0.003 0.253 -0.414) 0.485 26.319 ( 2.985 7.850 -0.062) 8.398 26.438 ( 0.218 8.554 0.820) 8.596 26.738 ( 1.073 0.275 -1.556) 1.910 26.914 ( -3.817 2.378 -2.339) 5.070 28.033 ( 7.531 -4.387 0.394) 8.725 28.346 ( -5.876 -4.736 3.699) 8.405 ======================= Grid point 255 (126/215) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -12.049 4.028 4.231) 13.390 2.508 ( 7.884 4.008 2.169) 9.106 3.015 ( 6.444 8.962 -2.201) 11.256 3.347 ( -1.565 3.002 -6.564) 7.385 3.686 ( 14.964 13.258 3.682) 20.329 3.759 ( -11.543 4.275 -2.866) 12.638 4.233 ( 3.718 10.829 -11.148) 15.980 4.591 ( -1.867 8.425 -2.770) 9.063 4.721 ( -0.881 -5.182 2.807) 5.959 5.003 ( -1.248 -3.247 -1.607) 3.832 5.376 ( 0.198 -6.542 -14.574) 15.976 5.601 ( -3.682 0.159 -13.779) 14.263 6.148 ( -3.286 -2.110 2.832) 4.824 6.305 ( 10.310 1.291 -2.375) 10.658 6.539 ( -8.524 -2.786 4.161) 9.886 6.687 ( -3.349 0.926 5.426) 6.443 6.981 ( -2.394 -6.237 -0.467) 6.697 7.050 ( -6.021 -2.586 3.711) 7.531 7.361 ( 3.823 -7.066 -11.156) 13.748 7.551 ( 5.811 2.257 -0.817) 6.287 8.058 ( 3.294 0.160 -2.929) 4.410 8.227 ( 1.900 -1.433 -3.040) 3.861 8.812 ( -0.508 -7.338 10.951) 13.192 9.152 ( -1.783 1.614 9.186) 9.495 10.038 ( -2.427 -7.234 7.439) 10.656 10.573 ( 0.793 -8.081 -0.481) 8.134 10.788 ( 0.046 -3.403 -2.627) 4.300 11.167 ( 0.788 -4.708 -7.371) 8.782 11.726 ( -2.136 5.020 4.365) 6.987 11.960 ( 1.332 10.158 -3.378) 10.787 12.896 ( -1.840 -3.737 4.128) 5.864 13.032 ( 1.683 2.262 1.814) 3.352 13.804 ( 3.365 9.629 8.447) 13.243 14.195 ( -3.786 9.717 3.050) 10.865 15.460 ( -0.432 -13.920 5.661) 15.033 15.897 ( -2.332 -5.767 -4.401) 7.620 16.740 ( -3.671 6.802 2.869) 8.245 17.034 ( 4.267 4.124 3.418) 6.848 17.281 ( 1.635 -1.121 -5.136) 5.505 17.660 ( 0.847 -1.075 -8.321) 8.433 25.031 ( 2.083 2.153 1.570) 3.382 25.155 ( -1.559 0.222 -1.470) 2.154 26.362 ( 1.617 8.376 0.776) 8.565 26.420 ( -1.971 8.553 -0.678) 8.803 26.721 ( -2.567 0.389 -0.410) 2.629 26.859 ( 2.365 0.677 -3.494) 4.273 28.182 ( 6.906 -3.915 3.506) 8.678 28.270 ( -6.415 -3.398 1.037) 7.333 ======================= Grid point 256 (127/215) ======================= q-point: (-0.42 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -3.498 -0.310 3.235) 4.774 2.688 ( 8.360 5.008 2.141) 9.978 3.052 ( 3.078 9.524 -2.927) 10.428 3.283 ( -2.434 1.958 -5.123) 6.001 3.617 ( 1.464 10.780 0.591) 10.895 3.920 ( 6.874 13.540 -2.104) 15.330 4.214 ( 6.111 9.701 -0.330) 11.470 4.472 ( -2.171 6.399 -9.138) 11.365 4.698 ( -3.230 -1.706 -1.013) 3.791 4.996 ( -2.546 -11.146 -1.290) 11.505 5.247 ( -2.980 -2.605 -7.851) 8.793 5.363 ( -0.892 0.313 -12.311) 12.347 5.953 ( -17.322 3.478 2.249) 17.810 6.360 ( 0.704 -1.961 -0.748) 2.214 6.583 ( 0.323 -8.532 3.899) 9.387 6.731 ( 0.542 4.865 5.325) 7.233 6.895 ( 0.510 -12.498 -2.339) 12.725 7.082 ( -4.124 -2.756 8.687) 10.003 7.372 ( 9.406 -2.350 -5.815) 11.305 7.621 ( 4.059 3.452 -2.313) 5.809 8.087 ( 7.858 2.774 -4.629) 9.533 8.245 ( 3.699 -0.879 -2.485) 4.542 8.866 ( -6.152 -9.363 9.965) 14.994 9.272 ( 6.921 -1.306 1.525) 7.207 10.103 ( -2.511 -6.715 9.903) 12.226 10.597 ( 2.926 -9.145 -1.052) 9.659 10.738 ( -3.118 -1.825 -1.278) 3.832 11.102 ( 1.732 -2.246 -7.037) 7.587 11.730 ( -2.907 6.519 2.985) 7.736 11.952 ( 2.218 7.389 -2.276) 8.044 12.893 ( -3.254 -4.861 2.472) 6.351 13.119 ( 6.650 -1.062 1.246) 6.848 13.906 ( -6.021 10.132 7.178) 13.800 14.186 ( 1.583 12.023 3.249) 12.554 15.494 ( -4.092 -7.628 4.462) 9.738 15.823 ( -0.051 -8.421 -3.024) 8.948 16.695 ( -6.514 5.974 3.790) 9.617 17.081 ( -5.480 2.593 5.875) 8.442 17.237 ( 3.380 1.253 -9.356) 10.026 17.619 ( 5.383 -3.103 -7.273) 9.565 25.081 ( 0.291 0.899 1.266) 1.580 25.101 ( -1.409 0.754 -1.426) 2.142 26.340 ( -3.899 7.716 -0.564) 8.664 26.420 ( 1.035 6.661 1.197) 6.846 26.666 ( -2.561 2.497 -0.571) 3.622 26.884 ( 4.341 -0.702 -2.792) 5.209 28.124 ( -9.173 -2.121 -0.792) 9.448 28.371 ( 8.227 -3.880 4.039) 9.953 ======================= Grid point 257 (128/215) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 1.672 0.755 5.162) 5.478 2.717 ( -7.780 7.098 -1.498) 10.637 3.024 ( -5.902 8.200 1.861) 10.274 3.194 ( 4.355 6.350 -5.068) 9.218 3.787 ( 13.437 14.326 -1.070) 19.671 3.889 ( -1.882 3.951 -4.509) 6.283 4.238 ( -9.646 2.190 -0.978) 9.940 4.402 ( 8.274 0.800 -7.057) 10.904 4.661 ( -10.314 12.854 -2.593) 16.683 4.798 ( -3.689 -1.018 0.140) 3.829 5.071 ( 2.311 -5.953 -0.647) 6.419 5.473 ( 10.703 -7.613 2.731) 13.415 5.836 ( -2.932 0.868 1.914) 3.608 6.339 ( -2.935 -3.174 1.425) 4.552 6.550 ( 0.001 -9.456 -6.042) 11.221 6.784 ( 0.058 -2.400 1.380) 2.769 6.943 ( 2.275 -6.109 3.528) 7.413 7.108 ( -3.947 -2.103 6.172) 7.622 7.460 ( 4.866 1.499 -2.053) 5.490 7.621 ( 0.189 4.698 -0.528) 4.731 8.219 ( 8.517 -1.161 -1.874) 8.798 8.270 ( 8.917 2.414 -4.977) 10.493 8.894 ( -4.308 -6.445 8.986) 11.867 9.370 ( 6.691 -6.743 -3.472) 10.114 10.186 ( -0.749 -4.621 7.634) 8.955 10.607 ( 2.434 -8.615 -8.640) 12.442 10.694 ( -3.937 -0.674 8.270) 9.185 11.056 ( 2.025 -1.042 -5.486) 5.940 11.709 ( -3.093 6.914 1.587) 7.738 11.980 ( 3.459 3.875 -0.353) 5.206 12.863 ( -2.969 -2.821 0.842) 4.181 13.245 ( 7.319 -3.390 -0.040) 8.066 13.779 ( -11.479 5.783 -1.072) 12.898 14.326 ( 4.899 15.137 7.451) 17.568 15.432 ( -6.317 -5.973 1.059) 8.758 15.839 ( 2.596 -7.649 1.231) 8.171 16.637 ( -7.294 4.439 5.264) 10.031 17.024 ( -8.664 -0.863 3.985) 9.575 17.152 ( 2.150 4.206 -11.875) 12.780 17.636 ( 4.487 -3.011 -3.733) 6.568 25.017 ( -3.305 1.341 -2.327) 4.259 25.130 ( 0.767 0.624 1.672) 1.943 26.269 ( -3.764 6.562 -0.677) 7.595 26.434 ( -1.772 3.821 1.621) 4.513 26.646 ( 0.542 5.642 -0.138) 5.670 26.913 ( 2.226 -1.998 -1.134) 3.199 27.956 ( -9.331 -1.641 -2.369) 9.766 28.546 ( 8.416 -3.896 3.059) 9.766 ======================= Grid point 258 (129/215) ======================= q-point: (-0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -22.648 7.688 5.072) 24.449 2.431 ( -21.858 15.447 -2.829) 26.914 3.045 ( 8.406 -0.505 -2.601) 8.813 3.292 ( 10.894 6.843 -2.268) 13.063 3.573 ( -19.696 10.769 5.780) 23.180 4.008 ( -12.274 4.073 3.749) 13.464 4.099 ( 10.930 1.024 -1.239) 11.047 4.442 ( 1.574 3.993 -1.929) 4.705 4.584 ( 16.463 7.432 -3.107) 18.328 4.965 ( 9.019 -4.562 4.445) 11.041 5.247 ( 9.915 -4.063 9.759) 14.493 5.588 ( -0.722 -8.694 -1.734) 8.895 5.877 ( 6.659 1.820 3.259) 7.634 6.288 ( -1.986 -4.282 -5.400) 7.172 6.537 ( 2.622 -8.144 2.898) 9.033 6.775 ( -2.543 -3.580 1.141) 4.537 7.004 ( 0.624 -4.685 2.261) 5.239 7.102 ( -1.704 -1.665 0.895) 2.545 7.434 ( -4.376 4.548 -0.299) 6.319 7.653 ( 3.869 5.925 -2.197) 7.410 8.185 ( -0.903 -2.877 -6.604) 7.259 8.451 ( 11.312 2.236 -3.148) 11.952 8.952 ( 1.033 -2.263 6.504) 6.963 9.411 ( 4.149 -10.339 -3.065) 11.555 10.218 ( -1.165 -3.888 -1.613) 4.368 10.487 ( -5.541 -2.004 -4.191) 7.231 10.826 ( 5.703 -4.038 9.313) 11.643 11.044 ( 2.717 -1.811 -2.111) 3.888 11.663 ( -4.369 6.276 0.247) 7.651 12.059 ( 5.670 0.917 1.448) 5.924 12.805 ( -5.070 1.865 -1.068) 5.507 13.287 ( -2.202 -1.922 -2.893) 4.112 13.616 ( -3.206 -0.926 -2.440) 4.134 14.435 ( 1.106 12.049 0.059) 12.100 15.387 ( -0.671 -7.912 2.919) 8.460 15.904 ( 2.467 -3.586 2.079) 4.824 16.599 ( -6.834 1.869 6.753) 9.788 16.868 ( -5.689 -0.297 -11.031) 12.415 17.085 ( -1.383 4.612 1.416) 5.019 17.667 ( 1.801 -1.747 0.969) 2.690 24.944 ( -2.730 2.516 -1.533) 4.017 25.149 ( -0.298 0.670 0.807) 1.091 26.210 ( -3.013 6.119 -0.285) 6.827 26.407 ( -3.110 1.875 0.817) 3.722 26.657 ( 0.483 6.317 -0.725) 6.377 26.932 ( -0.322 -2.338 1.951) 3.062 27.786 ( -8.138 -2.995 -2.109) 8.925 28.706 ( 9.050 -3.261 0.286) 9.624 ======================= Grid point 259 (130/215) ======================= q-point: (-0.17 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -33.540 13.733 6.341) 36.793 1.944 ( -24.118 24.126 -6.781) 34.781 3.122 ( -8.715 15.534 19.897) 26.705 3.480 ( 18.310 -1.442 -6.466) 19.471 3.626 ( 2.530 4.834 16.517) 17.395 3.918 ( -6.720 -12.663 9.313) 17.095 4.166 ( 6.630 -0.201 -9.319) 11.438 4.551 ( 6.401 15.655 8.564) 18.958 4.882 ( 20.138 0.097 -2.881) 20.343 5.106 ( 4.308 -6.156 1.339) 7.632 5.413 ( -5.321 -4.797 0.081) 7.165 5.571 ( 5.698 -3.817 6.967) 9.777 6.081 ( 10.037 -0.246 4.715) 11.092 6.159 ( -5.961 -4.856 -3.833) 8.591 6.630 ( 0.158 -6.630 4.063) 7.778 6.763 ( -1.393 0.313 3.462) 3.745 7.015 ( -0.190 -5.289 -0.768) 5.348 7.088 ( -0.061 -3.283 -0.737) 3.365 7.374 ( -0.757 6.033 -1.519) 6.267 7.648 ( 0.566 7.821 -4.654) 9.119 8.069 ( -0.705 -1.336 -10.164) 10.275 8.459 ( 1.723 3.326 -11.676) 12.262 9.099 ( 4.657 -2.322 8.239) 9.745 9.455 ( 4.883 -9.605 -0.556) 10.790 10.113 ( -1.416 -6.276 -10.087) 11.964 10.373 ( -7.680 1.345 2.725) 8.259 10.983 ( 4.857 -3.302 -0.753) 5.921 11.147 ( 6.239 -4.165 7.127) 10.347 11.584 ( -5.001 7.181 0.236) 8.754 12.167 ( 5.204 -0.490 -0.375) 5.241 12.657 ( -10.615 6.273 -1.472) 12.418 13.152 ( -6.701 -3.924 -3.141) 8.377 13.609 ( 2.823 -4.644 -1.995) 5.789 14.338 ( -3.751 5.273 -11.457) 13.159 15.487 ( 5.621 -9.064 5.235) 11.881 15.964 ( 2.508 0.562 2.026) 3.273 16.527 ( -7.643 0.329 -2.235) 7.970 16.677 ( -3.024 7.456 -5.541) 9.770 17.138 ( 1.424 -0.814 7.120) 7.307 17.728 ( 0.432 -1.115 6.344) 6.456 24.902 ( -1.380 3.303 0.097) 3.581 25.141 ( -0.996 1.015 -0.276) 1.449 26.165 ( -2.336 5.823 -0.125) 6.276 26.367 ( -2.399 1.127 0.006) 2.651 26.627 ( -2.294 3.928 -1.684) 4.851 26.933 ( -3.456 -1.270 1.740) 4.072 27.686 ( -3.953 -4.798 3.374) 7.073 28.826 ( 8.576 -2.225 -4.248) 9.826 ======================= Grid point 260 (131/215) ======================= q-point: (-0.08 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -13.274 23.816 2.588) 27.388 1.800 ( -7.752 20.149 24.517) 32.668 3.277 ( -4.784 10.774 20.417) 23.575 3.574 ( -0.184 5.214 0.644) 5.257 3.821 ( 3.538 -14.434 3.042) 15.169 4.079 ( -1.940 -8.793 17.467) 19.651 4.222 ( 19.605 3.449 -2.102) 20.016 4.776 ( 3.976 14.767 8.468) 17.481 4.905 ( -4.789 -2.518 -4.797) 7.231 5.283 ( 4.541 0.827 3.402) 5.734 5.355 ( 4.213 -4.152 4.114) 7.205 5.665 ( -2.291 -3.752 -0.882) 4.484 6.084 ( -0.851 -6.036 5.007) 7.888 6.263 ( 2.417 -1.927 6.473) 7.173 6.616 ( -3.809 -1.631 -0.133) 4.146 6.760 ( 0.086 0.796 -4.819) 4.885 6.986 ( -2.018 -3.038 -0.940) 3.766 7.076 ( -1.252 -4.419 -0.105) 4.594 7.364 ( 1.347 2.534 -4.221) 5.105 7.601 ( 2.219 11.346 -3.777) 12.162 7.927 ( 0.692 2.237 -13.540) 13.741 8.304 ( 1.414 5.819 -15.862) 16.955 9.212 ( -2.205 -8.944 6.603) 11.334 9.567 ( 6.724 -4.135 2.538) 8.291 10.011 ( 4.434 -6.107 -8.662) 11.489 10.296 ( -6.409 1.732 2.562) 7.116 11.031 ( 5.198 -3.147 -2.646) 6.628 11.205 ( -6.298 -3.681 -2.359) 7.667 11.581 ( -0.026 7.122 6.817) 9.858 12.124 ( -3.749 6.750 -7.513) 10.773 12.563 ( -3.014 -2.237 6.394) 7.414 13.045 ( -2.369 -8.180 -2.716) 8.938 13.623 ( 1.588 -2.856 -1.392) 3.552 14.112 ( -4.304 1.260 -13.014) 13.765 15.625 ( 3.038 -8.640 4.788) 10.334 16.029 ( 2.411 3.386 0.807) 4.234 16.387 ( -3.106 5.612 -3.662) 7.386 16.597 ( -1.497 7.894 -3.685) 8.840 17.287 ( 5.175 -4.830 8.709) 11.223 17.802 ( -2.371 -3.188 6.510) 7.627 24.902 ( 0.030 3.174 1.581) 3.546 25.115 ( -1.043 1.364 -1.204) 2.097 26.134 ( -1.389 4.530 0.071) 4.739 26.334 ( -0.776 0.717 -1.485) 1.822 26.570 ( -2.261 2.063 -0.346) 3.081 26.856 ( -5.372 -1.577 -1.507) 5.798 27.761 ( 1.587 -4.552 11.107) 12.108 28.852 ( 4.108 -0.808 -9.118) 10.033 ======================= Grid point 261 (132/215) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -0.804 17.718 5.504) 18.571 2.502 ( 2.664 17.371 18.953) 25.847 3.005 ( -3.175 -5.742 -19.648) 20.714 3.403 ( -2.658 -21.773 5.840) 22.699 3.943 ( 1.746 0.838 9.373) 9.571 4.130 ( 0.353 -9.333 17.184) 19.558 4.563 ( 13.089 -1.188 -2.175) 13.321 4.764 ( -3.727 -0.254 6.692) 7.665 5.091 ( -6.518 3.921 0.570) 7.628 5.302 ( 5.425 -4.610 10.963) 13.072 5.642 ( 3.432 -2.076 1.632) 4.330 5.758 ( -1.149 18.044 6.331) 19.157 6.109 ( -7.493 -7.994 -0.705) 10.979 6.179 ( 0.102 13.134 11.528) 17.476 6.546 ( 0.499 -0.594 -2.679) 2.789 6.621 ( 0.795 -5.669 -0.018) 5.725 6.875 ( -2.412 1.328 -5.903) 6.514 7.069 ( -7.065 6.938 6.570) 11.884 7.470 ( 2.124 8.297 -7.502) 11.386 7.746 ( -1.763 -2.970 0.580) 3.502 7.912 ( 3.548 8.796 -7.204) 11.911 8.359 ( 3.760 12.979 -11.454) 17.714 8.929 ( -5.470 -15.827 2.398) 16.917 9.515 ( 3.772 -10.251 -5.123) 12.065 9.999 ( 16.876 -4.419 -5.338) 18.244 10.239 ( -6.577 0.890 -4.930) 8.268 10.894 ( -17.062 -1.020 -2.089) 17.220 11.071 ( 8.992 -2.547 -1.223) 9.425 11.763 ( -5.276 4.703 7.284) 10.149 12.120 ( 1.377 1.466 -2.469) 3.184 12.532 ( 2.892 -3.260 0.340) 4.371 12.802 ( 0.297 -8.848 -5.120) 10.227 13.621 ( 2.187 -0.368 1.049) 2.454 13.894 ( -4.232 -1.549 -8.548) 9.663 15.638 ( 2.685 -1.745 10.352) 10.836 16.075 ( -7.049 2.841 -0.703) 7.633 16.463 ( -0.648 4.961 -0.631) 5.043 16.683 ( 4.542 4.657 -7.414) 9.863 17.426 ( 7.466 -1.753 7.585) 10.787 17.686 ( -5.446 -5.035 1.449) 7.557 24.976 ( 0.494 1.341 2.243) 2.659 25.127 ( -0.319 2.467 -2.013) 3.200 26.183 ( -0.440 2.632 -0.897) 2.815 26.298 ( -0.361 -0.499 -3.828) 3.877 26.595 ( 1.759 1.079 1.092) 2.334 26.734 ( -1.052 -2.018 -2.161) 3.139 27.894 ( 1.925 -1.672 14.851) 15.069 28.733 ( -1.549 -0.832 -11.123) 11.261 ======================= Grid point 262 (133/215) ======================= q-point: ( 0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 10.492 13.574 13.239) 21.671 2.624 ( -4.062 -0.521 -8.650) 9.570 2.850 ( 4.502 8.194 7.668) 12.092 3.431 ( 1.549 -16.796 -1.694) 16.952 3.885 ( -13.864 4.985 -2.769) 14.991 4.327 ( 2.538 -6.066 8.715) 10.918 4.476 ( -15.676 -8.643 1.138) 17.937 4.847 ( 2.973 -4.111 9.722) 10.966 5.219 ( 7.872 1.167 -0.433) 7.970 5.465 ( 1.251 -7.010 6.935) 9.940 5.690 ( 7.636 -4.043 3.574) 9.350 5.832 ( 1.126 11.426 4.505) 12.333 6.038 ( -2.613 -1.732 3.883) 4.990 6.323 ( -5.570 15.140 14.520) 21.704 6.479 ( -0.733 -3.379 -4.215) 5.452 6.621 ( -7.637 -1.688 -0.226) 7.825 6.771 ( 2.625 6.566 -3.780) 8.018 7.027 ( -6.185 11.361 4.800) 13.798 7.408 ( 1.229 8.822 -5.832) 10.646 7.685 ( -2.566 -1.734 -3.856) 4.945 7.899 ( 1.856 8.037 -3.518) 8.967 8.291 ( 4.896 13.711 -12.176) 18.979 8.856 ( -9.113 -16.679 5.233) 19.713 9.527 ( 4.956 -11.487 -5.511) 13.671 9.984 ( -11.134 -1.850 -11.769) 16.307 10.211 ( 15.273 -4.321 -3.829) 16.328 10.662 ( -12.176 -0.596 5.431) 13.346 11.221 ( 9.500 -2.195 0.052) 9.750 11.742 ( -6.357 2.813 5.477) 8.850 12.135 ( 2.384 4.138 -0.976) 4.875 12.618 ( 6.683 -4.392 0.388) 8.006 12.792 ( 6.016 -10.761 -5.735) 13.597 13.652 ( -1.015 1.561 0.537) 1.938 13.777 ( 0.783 -2.082 -4.218) 4.768 15.741 ( -7.938 3.978 5.820) 10.616 15.931 ( -4.522 -0.257 1.487) 4.767 16.474 ( 2.233 5.183 0.295) 5.651 16.651 ( 1.474 3.935 -6.545) 7.778 17.547 ( -2.473 -3.998 0.972) 4.800 17.713 ( 8.255 -3.701 4.138) 9.948 25.017 ( 1.115 1.266 2.331) 2.877 25.100 ( 0.151 2.124 -2.120) 3.005 26.193 ( 1.947 1.650 0.526) 2.605 26.262 ( 1.518 -0.292 -3.037) 3.408 26.678 ( 6.074 0.253 1.662) 6.302 26.729 ( 3.999 -0.642 -2.629) 4.828 28.079 ( -0.776 -1.752 14.022) 14.153 28.524 ( -6.698 -0.213 -12.354) 14.055 ======================= Grid point 263 (134/215) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 13.685 11.832 13.016) 22.287 2.478 ( 4.513 3.222 -9.251) 10.786 3.028 ( -1.510 3.331 6.447) 7.412 3.356 ( -2.752 -2.236 -7.085) 7.923 3.647 ( -9.570 1.246 -2.342) 9.931 4.090 ( -11.175 -2.965 -6.374) 13.202 4.559 ( -0.023 -10.663 10.020) 14.632 4.963 ( 4.230 -10.134 -1.065) 11.033 5.238 ( -2.126 1.366 0.872) 2.673 5.555 ( -1.033 -3.981 3.271) 5.255 5.824 ( 4.931 -0.813 -4.593) 6.788 5.870 ( 0.727 -1.337 0.640) 1.651 6.077 ( -6.703 -1.491 6.303) 9.321 6.235 ( -12.109 2.521 -1.820) 12.502 6.422 ( -3.565 2.039 3.799) 5.595 6.607 ( 0.735 8.811 15.991) 18.272 6.824 ( 0.157 3.304 0.585) 3.359 7.024 ( 4.199 19.028 -0.736) 19.500 7.383 ( 0.954 5.895 -2.104) 6.332 7.629 ( -0.375 -0.617 0.691) 0.999 7.865 ( -0.849 5.981 -3.559) 7.011 8.207 ( 2.740 10.960 -11.745) 16.296 8.788 ( -7.109 -13.289 5.618) 16.084 9.436 ( -9.302 -7.605 -8.320) 14.615 9.756 ( 1.163 -8.942 -6.979) 11.403 10.390 ( 11.302 -3.943 -1.966) 12.131 10.616 ( -5.156 -1.421 7.742) 9.410 11.329 ( 2.941 -3.583 -0.155) 4.638 11.713 ( -3.211 2.439 3.531) 5.360 12.162 ( 1.658 6.412 0.051) 6.623 12.729 ( 8.100 -4.832 -2.083) 9.659 12.844 ( 5.238 -7.119 -0.854) 8.879 13.609 ( 1.232 1.402 -4.784) 5.135 13.824 ( 3.365 -0.637 3.902) 5.191 15.520 ( -15.396 -1.891 -3.105) 15.819 15.992 ( -1.750 4.142 8.408) 9.534 16.535 ( 4.525 5.228 -0.393) 6.925 16.604 ( 2.584 2.299 -3.301) 4.781 17.499 ( -0.052 -3.528 -4.337) 5.591 17.889 ( 5.791 -2.897 3.699) 7.457 25.049 ( 0.416 2.180 -0.178) 2.226 25.097 ( 1.665 1.027 0.209) 1.967 26.246 ( 3.478 2.114 0.579) 4.111 26.284 ( 4.178 0.532 -0.604) 4.254 26.757 ( 5.089 1.424 -2.433) 5.817 26.840 ( 8.978 -0.525 1.904) 9.192 28.192 ( -4.390 -1.705 9.361) 10.478 28.256 ( -7.830 -0.984 -9.779) 12.566 ======================= Grid point 264 (135/215) ======================= q-point: ( 0.25 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 7.685 5.484 -1.862) 9.623 2.700 ( 3.210 5.688 8.616) 10.812 2.941 ( -2.233 7.713 -1.473) 8.164 3.196 ( -6.225 5.934 -6.535) 10.802 3.572 ( 8.865 -2.812 -5.116) 10.615 4.062 ( 2.871 -0.232 5.043) 5.807 4.582 ( -2.139 -4.143 -3.427) 5.786 4.928 ( -5.786 2.246 -6.233) 8.796 5.143 ( -5.678 -8.859 -4.021) 11.265 5.525 ( -0.246 2.204 -3.316) 3.990 5.708 ( -20.105 -2.737 -3.099) 20.526 5.811 ( -1.106 -6.262 -3.036) 7.046 5.998 ( 2.368 7.303 -2.885) 8.202 6.111 ( -3.335 -13.113 4.607) 14.293 6.578 ( 4.449 -0.021 11.256) 12.103 6.761 ( -2.052 3.356 -0.187) 3.938 6.800 ( -4.089 7.223 10.564) 13.434 7.077 ( 2.840 13.466 -1.884) 13.890 7.394 ( 4.104 3.459 -3.156) 6.226 7.679 ( -1.794 2.125 6.907) 7.446 7.799 ( 0.694 -0.485 -5.722) 5.784 8.165 ( 5.220 13.139 -2.358) 14.334 8.761 ( -4.668 -8.510 4.509) 10.703 9.152 ( -13.471 -5.761 -4.393) 15.296 9.762 ( 6.262 -12.174 -5.819) 14.875 10.510 ( 4.967 -4.477 -0.160) 6.689 10.648 ( -1.725 -1.943 6.032) 6.568 11.297 ( -3.816 -6.427 -2.843) 7.997 11.729 ( -0.696 3.006 3.290) 4.511 12.183 ( 1.165 7.677 -0.479) 7.779 12.827 ( 6.461 -1.879 -0.792) 6.775 12.920 ( 2.277 -2.202 3.401) 4.647 13.603 ( 5.235 2.460 -4.968) 7.625 13.956 ( 4.982 0.286 7.504) 9.012 15.263 ( -12.540 -7.765 -1.573) 14.833 16.012 ( -5.336 2.654 4.909) 7.721 16.596 ( 6.010 4.695 -0.296) 7.632 16.698 ( 8.914 3.535 0.344) 9.596 17.437 ( 0.146 -2.512 -6.513) 6.982 17.960 ( 0.501 -1.941 -0.225) 2.017 25.041 ( 0.547 2.624 -1.492) 3.067 25.140 ( 1.901 0.692 1.275) 2.391 26.314 ( 4.695 3.482 0.033) 5.845 26.370 ( 5.634 1.364 1.190) 5.917 26.800 ( 3.853 2.961 -2.628) 5.525 26.995 ( 6.162 0.472 2.201) 6.560 27.990 ( -5.547 -1.670 -10.029) 11.582 28.258 ( -4.906 -3.066 9.260) 10.918 ======================= Grid point 265 (136/215) ======================= q-point: ( 0.33 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -4.822 -1.168 -2.640) 5.620 2.684 ( -7.932 -0.808 2.778) 8.443 3.040 ( 14.993 17.766 -1.248) 23.281 3.274 ( 10.145 11.881 4.502) 16.259 3.700 ( 12.920 -0.797 -5.731) 14.156 4.079 ( -8.590 -1.002 -0.769) 8.682 4.429 ( -5.053 3.986 -4.943) 8.115 4.768 ( -4.341 6.776 -5.577) 9.790 4.970 ( -3.404 -6.215 -9.582) 11.917 5.284 ( -13.462 -5.721 -10.048) 17.746 5.578 ( 1.340 -3.170 -2.050) 4.006 5.769 ( 0.773 1.759 -0.892) 2.118 5.976 ( 0.112 -5.969 -5.716) 8.266 6.179 ( 0.346 -5.295 7.452) 9.148 6.654 ( -4.476 2.430 -4.356) 6.702 6.714 ( -1.626 -1.336 4.566) 5.028 6.858 ( -2.133 1.865 9.471) 9.886 7.094 ( -2.338 5.161 3.137) 6.476 7.403 ( 5.273 3.092 -6.840) 9.174 7.637 ( -4.484 0.545 -2.060) 4.965 7.850 ( 4.165 -3.560 4.158) 6.878 8.282 ( 6.485 11.914 0.817) 13.590 8.706 ( -7.910 -1.705 2.429) 8.448 8.990 ( -6.141 -5.291 5.819) 9.978 9.790 ( 5.743 -13.386 -5.641) 15.620 10.526 ( -3.000 -5.020 0.439) 5.864 10.697 ( 0.834 -2.131 2.984) 3.761 11.188 ( -2.824 -7.664 -5.096) 9.627 11.751 ( -1.803 2.804 3.779) 5.039 12.183 ( 0.889 7.361 -2.260) 7.751 12.883 ( -0.945 1.271 2.380) 2.859 13.005 ( 3.616 0.079 2.026) 4.146 13.661 ( 6.862 6.216 -0.507) 9.272 14.151 ( 5.211 1.744 10.289) 11.665 15.106 ( -7.517 -12.086 2.240) 14.408 15.968 ( -5.115 -0.569 2.369) 5.666 16.723 ( 8.496 5.714 1.225) 10.312 16.846 ( 8.671 3.803 0.234) 9.471 17.351 ( -0.301 -2.045 -7.148) 7.441 17.908 ( -3.230 -1.054 -4.280) 5.465 25.038 ( 1.056 2.797 -1.108) 3.188 25.177 ( 1.099 0.577 0.597) 1.378 26.392 ( 5.082 5.004 -0.209) 7.135 26.478 ( 6.081 2.254 1.053) 6.570 26.807 ( 0.657 3.850 -2.343) 4.554 27.042 ( -1.848 1.606 -0.851) 2.592 27.878 ( 2.715 -3.008 -3.940) 5.652 28.275 ( -5.009 -3.601 6.873) 9.236 ======================= Grid point 266 (137/215) ======================= q-point: ( 0.42 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 4.563 1.695 -2.059) 5.285 2.618 ( -4.709 3.645 0.876) 6.019 3.134 ( 0.379 8.290 -5.986) 10.233 3.479 ( 5.773 7.679 2.483) 9.923 3.735 ( 4.116 3.338 -7.487) 9.173 3.930 ( -7.981 4.302 3.825) 9.840 4.405 ( 7.773 2.614 -3.438) 8.892 4.596 ( -5.278 2.879 -4.877) 7.742 4.924 ( 3.610 7.259 -4.455) 9.251 5.029 ( -4.037 -7.173 -8.518) 11.845 5.504 ( -0.322 -3.178 -10.593) 11.064 5.711 ( -6.184 -5.805 -9.321) 12.603 5.981 ( 7.551 -5.287 1.919) 9.415 6.245 ( 0.987 3.854 2.820) 4.877 6.562 ( -3.021 -3.847 -2.465) 5.478 6.703 ( -6.986 3.337 8.887) 11.787 6.943 ( -0.402 -2.835 6.755) 7.337 7.065 ( -3.971 0.788 0.966) 4.162 7.397 ( 1.826 0.994 -8.431) 8.683 7.546 ( -4.413 1.745 1.184) 4.891 7.942 ( 2.934 -3.878 2.051) 5.278 8.316 ( 2.736 7.571 -4.794) 9.370 8.642 ( -3.926 -3.307 2.960) 5.926 9.056 ( -0.562 -1.318 10.444) 10.542 9.815 ( 3.880 -12.745 -2.381) 13.534 10.457 ( -3.674 -5.638 -1.405) 6.874 10.733 ( -0.131 -2.483 1.885) 3.120 11.103 ( 0.120 -7.265 -5.547) 9.141 11.770 ( -1.902 2.628 4.582) 5.614 12.160 ( 0.631 6.472 -3.643) 7.453 12.873 ( -3.612 0.840 2.664) 4.567 13.050 ( 1.968 0.454 -1.544) 2.542 13.819 ( 7.703 10.392 7.006) 14.711 14.317 ( -0.616 4.036 9.626) 10.456 15.091 ( -1.181 -12.939 7.264) 14.885 15.911 ( -4.301 -1.705 0.245) 4.633 16.853 ( 4.374 6.309 1.128) 7.759 16.970 ( 6.447 2.748 1.160) 7.103 17.280 ( 2.443 -1.953 -6.802) 7.487 17.776 ( -3.983 -0.875 -7.403) 8.452 25.049 ( 1.439 2.626 -0.299) 3.009 25.185 ( -0.203 0.385 -0.448) 0.625 26.464 ( 4.522 6.199 -0.539) 7.692 26.571 ( 4.055 3.922 -0.108) 5.642 26.772 ( -1.582 3.046 -1.703) 3.831 26.948 ( -4.663 0.819 -3.673) 5.992 27.959 ( 7.125 -2.738 2.214) 7.947 28.261 ( -5.368 -3.409 4.421) 7.745 ======================= Grid point 267 (138/215) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -11.457 5.622 0.104) 12.763 2.591 ( 11.161 4.488 -3.321) 12.480 3.100 ( 7.399 -1.164 -7.162) 10.363 3.344 ( -7.298 -4.836 -10.081) 13.352 3.812 ( -1.482 5.873 3.257) 6.878 3.951 ( 7.292 8.950 6.419) 13.209 4.471 ( -2.633 12.378 -4.426) 13.407 4.565 ( 10.214 -2.690 -0.255) 10.565 4.811 ( -6.732 4.581 -6.130) 10.192 5.017 ( 4.951 1.927 -3.303) 6.256 5.274 ( -12.106 -3.414 -10.044) 16.096 5.535 ( 6.722 -4.798 -16.478) 18.432 6.152 ( 6.257 -0.493 4.399) 7.665 6.298 ( 0.500 -2.378 2.259) 3.318 6.467 ( -4.786 -1.712 -1.212) 5.226 6.732 ( -4.176 1.417 10.319) 11.222 6.934 ( -9.085 4.186 -5.743) 11.534 7.005 ( -9.304 -2.216 10.931) 14.524 7.261 ( 1.604 -0.601 -5.722) 5.973 7.590 ( 6.362 1.551 0.007) 6.548 8.024 ( 5.030 -2.091 1.344) 5.610 8.309 ( 3.614 7.864 -5.124) 10.057 8.614 ( -3.972 -11.623 2.685) 12.573 9.153 ( 2.553 -2.688 2.083) 4.253 9.875 ( 1.934 -8.941 5.306) 10.576 10.407 ( 1.420 -7.103 -3.657) 8.114 10.737 ( -2.358 -1.952 2.241) 3.794 11.054 ( 1.699 -6.129 -5.396) 8.341 11.799 ( -1.877 2.449 5.012) 5.885 12.118 ( 0.245 5.617 -4.346) 7.106 12.839 ( -4.266 -1.420 2.413) 5.103 13.062 ( 3.582 0.644 -2.675) 4.516 14.031 ( 3.475 11.606 11.245) 16.530 14.350 ( -5.299 4.751 5.761) 9.156 15.226 ( 2.997 -8.626 11.311) 14.537 15.827 ( -4.494 -1.381 -2.928) 5.539 16.860 ( -4.247 4.983 1.322) 6.679 17.080 ( 2.127 1.061 4.078) 4.720 17.270 ( 6.139 -0.315 -7.102) 9.392 17.631 ( -0.633 -1.724 -9.716) 9.888 25.075 ( 1.522 2.037 0.638) 2.622 25.160 ( -1.507 0.254 -1.400) 2.073 26.517 ( 2.462 6.468 -0.184) 6.924 26.571 ( -2.676 5.841 -1.721) 6.651 26.737 ( -1.266 1.197 -0.555) 1.828 26.865 ( 1.101 -0.178 -4.011) 4.164 28.116 ( 6.361 -2.400 4.858) 8.356 28.208 ( -5.761 -2.496 2.049) 6.604 ======================= Grid point 268 (139/215) ======================= q-point: (-0.42 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -5.344 3.349 1.247) 6.429 2.727 ( 7.776 0.362 -2.947) 8.324 3.078 ( 1.733 -4.263 -6.532) 7.990 3.237 ( 2.801 -6.824 -5.645) 9.289 3.849 ( 3.586 6.819 3.508) 8.466 4.089 ( 0.904 6.516 -1.058) 6.663 4.437 ( 1.958 11.313 2.612) 11.774 4.578 ( -9.440 1.617 -6.010) 11.308 4.697 ( 3.089 4.841 -1.018) 5.832 4.919 ( -4.605 0.477 -8.460) 9.644 5.139 ( 3.869 -5.731 -2.485) 7.347 5.460 ( 5.115 5.595 -14.750) 16.584 6.142 ( -13.188 10.472 2.010) 16.959 6.314 ( 1.666 -4.309 0.329) 4.632 6.433 ( -3.609 -2.444 3.505) 5.593 6.651 ( -6.874 -4.750 -5.964) 10.266 6.843 ( 1.100 4.020 7.886) 8.920 7.022 ( -5.409 -1.869 11.288) 12.656 7.336 ( 8.926 -1.116 -1.031) 9.054 7.690 ( 4.894 2.739 0.151) 5.611 8.111 ( 4.775 0.011 -0.495) 4.800 8.306 ( 5.693 5.756 -7.014) 10.712 8.607 ( -2.903 -14.944 6.736) 16.647 9.192 ( 5.856 -7.651 -5.968) 11.333 9.997 ( 1.803 -3.776 9.802) 10.658 10.406 ( 5.456 -8.502 -6.223) 11.864 10.716 ( -4.273 -0.758 3.276) 5.437 11.022 ( 2.039 -5.244 -5.184) 7.651 11.821 ( -3.054 2.709 5.072) 6.511 12.070 ( 0.472 4.523 -4.323) 6.275 12.805 ( -3.316 -3.048 2.383) 5.096 13.112 ( 6.376 0.050 -2.141) 6.726 14.088 ( -11.801 6.884 6.912) 15.311 14.398 ( 3.239 8.228 7.621) 11.674 15.401 ( 1.023 -1.652 9.621) 9.815 15.710 ( -3.321 -2.835 -4.252) 6.095 16.789 ( -7.049 3.463 2.694) 8.303 17.091 ( -6.781 -0.768 4.105) 7.964 17.284 ( 5.907 2.760 -7.694) 10.085 17.551 ( 4.889 -3.468 -8.962) 10.782 25.098 ( -1.437 0.778 -0.414) 1.685 25.120 ( 0.330 1.010 -0.137) 1.072 26.482 ( -5.036 5.525 -1.386) 7.603 26.529 ( -1.658 4.452 0.856) 4.827 26.721 ( 0.848 2.638 -0.529) 2.821 26.869 ( 3.508 -0.814 -3.461) 4.995 28.091 ( -8.510 -1.034 0.113) 8.574 28.301 ( 7.501 -2.895 4.687) 9.306 ======================= Grid point 269 (140/215) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 2.589 -1.341 3.491) 4.549 2.738 ( -2.209 -1.223 -1.813) 3.108 2.999 ( -7.057 -7.273 -2.354) 10.404 3.260 ( 7.104 -4.684 -0.835) 8.550 3.823 ( -13.516 0.431 -5.824) 14.724 4.117 ( 8.321 14.842 1.993) 17.132 4.358 ( 1.035 5.486 -7.467) 9.323 4.542 ( -6.253 5.444 0.173) 8.293 4.731 ( 9.146 3.358 0.937) 9.788 4.843 ( 2.669 -0.177 -3.482) 4.391 5.129 ( -0.530 1.338 -4.502) 4.727 5.401 ( 3.755 3.695 -2.052) 5.654 5.987 ( -8.577 15.635 4.766) 18.459 6.315 ( -2.664 1.025 0.816) 2.968 6.384 ( -0.004 -4.705 -3.896) 6.109 6.593 ( 0.200 -10.944 1.308) 11.024 6.941 ( 0.210 0.565 5.011) 5.047 7.088 ( -2.159 2.767 8.914) 9.580 7.458 ( 6.551 -1.848 -0.565) 6.830 7.724 ( 0.624 4.670 -0.867) 4.790 8.161 ( 2.258 -4.335 -1.651) 5.159 8.342 ( 8.219 2.112 -4.547) 9.628 8.693 ( 1.942 -10.652 8.440) 13.728 9.204 ( 6.930 -10.361 -8.899) 15.316 10.139 ( 3.488 -0.280 4.447) 5.658 10.428 ( 6.636 -8.405 -5.280) 11.940 10.688 ( -4.745 -0.070 4.998) 6.892 10.992 ( 1.456 -4.806 -4.588) 6.802 11.819 ( -4.751 3.818 4.943) 7.847 12.042 ( 1.992 2.647 -3.173) 4.587 12.795 ( -1.893 -3.257 2.520) 4.532 13.203 ( 7.602 -1.025 -1.850) 7.891 13.899 ( -16.389 5.439 1.292) 17.316 14.547 ( 1.645 6.294 7.661) 10.051 15.380 ( -6.858 0.667 -3.323) 7.649 15.729 ( 4.044 -3.430 5.563) 7.685 16.710 ( -7.138 3.644 3.004) 8.558 17.002 ( -6.588 -1.442 0.071) 6.745 17.253 ( 1.670 5.123 -7.258) 9.040 17.559 ( 4.687 -4.505 -3.401) 7.337 25.041 ( -2.781 0.941 -1.486) 3.291 25.149 ( 0.963 1.112 1.239) 1.924 26.394 ( -4.509 5.267 -0.513) 6.952 26.493 ( -3.833 2.268 0.946) 4.553 26.750 ( 2.114 4.159 0.205) 4.670 26.874 ( 1.253 -1.798 -1.722) 2.787 27.930 ( -10.216 -0.834 -1.978) 10.439 28.477 ( 8.814 -2.814 3.102) 9.758 ======================= Grid point 270 (141/215) ======================= q-point: (-0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -14.741 -2.012 2.303) 15.055 2.687 ( -5.600 8.507 3.780) 10.863 2.914 ( 4.129 -10.117 -1.599) 11.044 3.347 ( -10.623 -14.551 8.179) 19.786 3.523 ( -0.027 7.930 -9.914) 12.695 4.075 ( -7.891 9.249 -8.357) 14.753 4.371 ( -0.097 8.937 0.727) 8.967 4.555 ( 12.760 4.323 2.653) 13.731 4.748 ( -0.644 2.008 -5.377) 5.776 5.015 ( 12.074 9.241 4.051) 15.735 5.230 ( 12.503 1.850 7.852) 14.879 5.437 ( -2.163 -6.534 2.248) 7.240 5.979 ( -1.028 12.967 5.625) 14.172 6.245 ( -1.589 0.393 -6.522) 6.724 6.393 ( 0.146 -5.117 4.331) 6.705 6.638 ( 0.588 -7.269 5.089) 8.893 6.960 ( -0.838 -1.043 -0.661) 1.493 7.144 ( -1.202 6.356 4.406) 7.827 7.505 ( 1.763 1.592 -1.914) 3.051 7.734 ( 2.668 1.396 -1.316) 3.286 8.121 ( -1.330 -3.102 -5.442) 6.404 8.437 ( 4.457 -5.523 1.024) 7.171 8.847 ( 6.428 -6.085 4.946) 10.139 9.216 ( 7.734 -8.955 -6.924) 13.709 10.136 ( 2.000 -3.468 -12.189) 12.830 10.476 ( -0.897 0.125 1.526) 1.774 10.755 ( 4.884 -2.656 8.868) 10.467 10.966 ( 1.462 -5.098 -2.964) 6.076 11.789 ( -5.893 5.679 4.237) 9.215 12.065 ( 3.829 -0.161 -0.909) 3.939 12.789 ( -2.802 -2.658 1.554) 4.163 13.274 ( 2.379 0.036 -2.456) 3.420 13.644 ( -12.871 3.446 -2.112) 13.491 14.566 ( -6.086 1.694 -0.759) 6.362 15.258 ( -1.870 -4.521 -1.257) 5.052 15.871 ( 4.076 -0.499 5.840) 7.139 16.644 ( -5.196 4.276 2.436) 7.157 16.894 ( -3.088 0.758 -5.437) 6.298 17.192 ( -0.638 5.717 -3.217) 6.591 17.607 ( 1.712 -4.119 2.931) 5.338 24.987 ( -2.314 1.567 -0.674) 2.874 25.171 ( 0.309 1.395 0.663) 1.575 26.328 ( -3.412 5.219 -0.106) 6.236 26.440 ( -3.507 1.390 0.121) 3.774 26.750 ( -1.785 2.672 -1.562) 3.573 26.894 ( 0.368 -1.187 3.128) 3.366 27.736 ( -10.340 -1.858 -2.108) 10.715 28.647 ( 10.145 -2.393 -0.005) 10.423 ======================= Grid point 271 (142/215) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -16.230 9.097 7.748) 20.154 2.449 ( -17.650 21.070 -7.242) 28.424 3.122 ( 6.430 -9.662 6.949) 13.527 3.278 ( -0.018 -17.161 13.180) 21.638 3.534 ( 4.912 -6.563 -3.990) 9.117 3.898 ( -3.106 11.564 -5.872) 13.337 4.413 ( -1.375 10.097 7.474) 12.637 4.615 ( -0.218 -4.808 -1.983) 5.205 4.908 ( 17.314 -0.818 0.443) 17.339 5.211 ( 5.975 6.438 6.173) 10.735 5.378 ( -5.827 1.064 5.127) 7.834 5.592 ( 13.293 9.325 8.137) 18.163 6.039 ( -2.819 1.222 2.159) 3.755 6.140 ( -0.848 2.663 -0.395) 2.823 6.458 ( 0.310 -8.509 5.038) 9.894 6.729 ( 0.436 -1.576 6.341) 6.548 6.913 ( -0.244 -3.066 -4.237) 5.236 7.149 ( -1.679 7.124 0.271) 7.324 7.502 ( 2.666 5.778 -3.698) 7.359 7.754 ( 0.287 -0.241 -0.114) 0.392 8.023 ( 0.411 -1.253 -8.243) 8.347 8.474 ( 1.060 -3.676 -1.954) 4.295 8.959 ( 2.580 -9.774 0.802) 10.141 9.327 ( 12.230 -3.692 -1.259) 12.837 9.971 ( 1.334 -6.002 -17.050) 18.125 10.433 ( -5.908 3.067 2.001) 6.951 10.915 ( 3.436 -3.111 -0.333) 4.647 11.040 ( 7.242 -5.132 6.038) 10.735 11.743 ( -5.504 7.600 3.917) 10.168 12.126 ( 3.490 -3.222 0.363) 4.763 12.712 ( -7.517 -1.257 -1.651) 7.799 13.141 ( -12.139 3.105 -4.053) 13.169 13.540 ( 2.011 -1.938 -2.150) 3.525 14.358 ( -9.827 -1.943 -9.658) 13.915 15.310 ( 4.258 -7.466 4.905) 9.896 15.993 ( 3.313 1.173 5.455) 6.489 16.589 ( -2.747 5.546 -2.007) 6.506 16.788 ( -1.645 3.140 -5.456) 6.506 17.176 ( 1.034 3.724 0.585) 3.909 17.680 ( -0.682 -3.464 7.216) 8.034 24.955 ( -1.442 1.862 0.466) 2.400 25.172 ( -0.272 1.939 -0.393) 1.997 26.277 ( -2.629 4.909 -0.794) 5.625 26.389 ( -2.228 1.007 -0.946) 2.622 26.677 ( -4.146 1.349 -1.655) 4.664 26.908 ( -4.364 -1.198 2.173) 5.020 27.611 ( -4.727 -2.593 3.986) 6.704 28.781 ( 9.294 -2.058 -4.106) 10.367 ======================= Grid point 272 (143/215) ======================= q-point: (-0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -12.495 18.127 -1.848) 22.094 2.269 ( -2.369 24.101 12.854) 27.417 3.174 ( -3.595 -15.128 2.280) 15.715 3.414 ( 1.071 -11.859 -3.533) 12.420 3.774 ( 13.915 -10.230 16.995) 24.231 3.834 ( -2.385 1.961 6.714) 7.390 4.422 ( 5.808 4.158 -5.842) 9.228 4.712 ( -0.128 -2.216 10.668) 10.897 5.076 ( 3.876 -2.447 4.158) 6.189 5.305 ( -5.644 1.312 1.096) 5.897 5.458 ( 8.163 6.409 7.770) 12.965 5.746 ( -0.662 17.829 0.735) 17.857 6.004 ( 0.723 2.202 7.270) 7.630 6.217 ( -2.234 -2.014 6.326) 7.004 6.519 ( 0.839 -8.940 3.614) 9.679 6.690 ( -2.537 -0.893 -7.519) 7.986 6.918 ( -0.433 -2.673 2.869) 3.946 7.106 ( -3.016 6.670 -0.252) 7.324 7.500 ( 3.356 6.979 -5.183) 9.319 7.749 ( -1.232 -0.627 1.460) 2.011 7.955 ( 3.530 3.131 -8.938) 10.107 8.436 ( 1.826 5.814 -7.946) 10.014 8.968 ( -1.339 -13.353 0.103) 13.421 9.490 ( 7.323 -4.882 -1.644) 8.953 9.863 ( 9.983 -6.443 -11.985) 16.877 10.354 ( -5.912 2.606 0.472) 6.478 10.959 ( 4.822 -3.440 -1.161) 6.036 11.128 ( -4.317 -2.964 -0.436) 5.255 11.735 ( -2.718 7.258 6.159) 9.900 12.150 ( -0.367 -3.083 -1.454) 3.428 12.556 ( -5.491 -0.365 -2.481) 6.037 12.919 ( -8.373 -2.793 -3.847) 9.628 13.574 ( 3.620 -1.748 -1.055) 4.156 14.096 ( -7.111 -2.054 -10.409) 12.772 15.466 ( 4.997 -6.453 7.885) 11.348 16.096 ( 0.825 2.560 4.594) 5.323 16.513 ( -1.990 6.333 -3.635) 7.569 16.714 ( 1.188 3.754 -6.208) 7.351 17.251 ( 4.744 0.657 4.562) 6.615 17.727 ( -4.153 -4.143 5.949) 8.355 24.952 ( -0.453 1.684 1.527) 2.318 25.155 ( -0.494 2.381 -1.398) 2.805 26.223 ( -2.256 4.037 -1.627) 4.903 26.347 ( -0.783 0.372 -2.569) 2.711 26.603 ( -2.965 1.390 -0.438) 3.304 26.815 ( -6.130 -2.476 -1.229) 6.724 27.695 ( 1.621 -2.006 12.217) 12.487 28.823 ( 4.839 -1.654 -8.256) 9.712 ======================= Grid point 273 (144/215) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -1.158 21.618 2.858) 21.837 2.734 ( 4.295 -9.982 5.775) 12.306 2.873 ( -2.837 2.543 8.035) 8.893 3.083 ( -11.115 -7.112 -4.270) 13.870 3.911 ( 4.445 -0.424 10.980) 11.853 3.991 ( 11.111 -4.557 7.090) 13.946 4.560 ( 2.749 0.250 2.051) 3.439 4.688 ( -0.087 -4.520 -3.712) 5.849 5.089 ( -2.239 -2.283 5.248) 6.145 5.190 ( 7.295 -3.782 1.795) 8.411 5.628 ( -2.005 4.550 3.502) 6.082 5.860 ( -10.769 -9.101 -2.554) 14.329 6.160 ( 2.187 11.465 2.290) 11.894 6.337 ( 4.492 -3.062 3.670) 6.559 6.498 ( -0.583 -1.696 3.596) 4.019 6.813 ( -2.437 11.723 -3.787) 12.558 6.942 ( -3.568 12.866 8.755) 15.966 7.246 ( -2.268 8.046 7.753) 11.401 7.501 ( 0.650 -11.460 1.139) 11.535 7.608 ( -4.079 -2.735 1.543) 5.148 8.119 ( -0.340 12.137 -0.286) 12.145 8.423 ( -4.654 -13.676 8.770) 16.900 8.845 ( 7.717 14.604 -17.237) 23.873 9.229 ( 4.671 -17.555 -13.935) 22.895 9.939 ( 14.851 -1.233 -3.411) 15.288 10.235 ( -6.280 -0.680 -8.664) 10.722 10.911 ( -15.696 1.612 -1.162) 15.822 11.028 ( 8.109 -1.517 0.573) 8.270 11.828 ( -7.803 1.632 6.669) 10.394 12.111 ( 5.277 -1.006 -1.367) 5.543 12.489 ( 4.387 -1.276 -2.212) 5.076 12.688 ( -3.792 -2.437 -7.873) 9.072 13.620 ( 3.481 0.129 1.374) 3.745 13.869 ( -5.111 -0.791 -7.195) 8.861 15.618 ( 6.288 -0.373 13.155) 14.585 16.116 ( -9.671 1.093 0.904) 9.775 16.534 ( -0.809 1.860 -1.018) 2.269 16.743 ( 5.316 1.406 -8.080) 9.774 17.423 ( 8.309 0.855 4.522) 9.499 17.595 ( -6.940 -3.286 1.904) 7.911 24.992 ( 0.281 0.348 2.306) 2.349 25.168 ( -0.304 1.180 -2.358) 2.655 26.233 ( -0.723 2.198 -2.285) 3.252 26.277 ( -0.635 -1.471 -4.022) 4.330 26.621 ( 1.597 1.347 0.205) 2.099 26.690 ( -0.104 -1.913 -1.667) 2.540 27.877 ( 1.399 -0.261 15.607) 15.671 28.717 ( -1.178 -0.510 -10.509) 10.587 ======================= Grid point 274 (145/215) ======================= q-point: ( 0.08 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 10.474 19.173 8.891) 23.587 2.678 ( -7.336 3.293 -6.160) 10.129 2.939 ( 5.352 -8.786 6.102) 11.962 3.094 ( 3.434 -6.583 7.515) 10.564 4.010 ( -4.420 6.660 0.255) 7.997 4.178 ( 3.452 -8.523 1.808) 9.372 4.350 ( -15.701 -0.665 -6.527) 17.017 4.709 ( -0.333 -8.393 6.597) 10.681 5.140 ( -2.793 -5.004 -2.584) 6.286 5.382 ( 16.578 0.569 5.172) 17.376 5.671 ( 4.787 2.527 4.352) 6.945 5.790 ( 0.423 -7.355 0.111) 7.368 6.187 ( -0.652 6.592 0.139) 6.626 6.404 ( -2.548 -2.449 -0.745) 3.612 6.450 ( -8.255 -0.456 6.852) 10.738 6.696 ( -6.162 2.748 -5.151) 8.489 7.021 ( -4.317 16.613 14.260) 22.316 7.326 ( -2.410 13.227 11.018) 17.382 7.520 ( 1.198 -1.521 -3.242) 3.776 7.557 ( -4.744 -5.746 5.329) 9.160 8.088 ( -2.006 11.603 -1.789) 11.910 8.421 ( -8.713 -16.420 7.276) 19.962 8.691 ( 4.279 14.919 -18.932) 24.481 9.223 ( 10.949 -16.899 -11.004) 22.947 9.946 ( -12.389 -1.301 -14.044) 18.773 10.141 ( 13.816 -2.026 -1.801) 14.079 10.690 ( -11.732 1.816 4.064) 12.548 11.176 ( 7.162 -1.602 1.909) 7.584 11.775 ( -7.077 0.668 5.072) 8.732 12.184 ( 5.008 1.051 -0.444) 5.137 12.572 ( 7.442 -0.014 -2.986) 8.019 12.625 ( 6.678 -5.496 -4.990) 9.985 13.689 ( 0.744 1.990 0.769) 2.259 13.735 ( -0.279 -2.075 -3.867) 4.398 15.832 ( -8.907 4.439 3.507) 10.552 15.907 ( -3.472 -2.359 5.598) 6.997 16.551 ( 3.039 2.128 -0.157) 3.714 16.699 ( -0.009 1.060 -6.793) 6.875 17.491 ( -3.228 -1.404 -0.958) 3.649 17.653 ( 9.789 -1.843 4.958) 11.127 25.034 ( 1.166 0.421 2.780) 3.044 25.133 ( -0.198 0.909 -2.644) 2.803 26.224 ( 2.224 1.385 -0.880) 2.764 26.249 ( 1.995 -0.970 -2.218) 3.137 26.687 ( 6.067 0.590 0.452) 6.113 26.711 ( 5.073 -0.972 -2.086) 5.570 28.060 ( -1.458 -0.351 14.522) 14.599 28.519 ( -6.492 -0.150 -12.003) 13.647 ======================= Grid point 275 (146/215) ======================= q-point: ( 0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -1.548 5.164 3.088) 6.213 2.695 ( 12.216 14.919 8.434) 21.046 3.062 ( 4.555 -3.169 -1.963) 5.886 3.238 ( 6.336 -5.403 1.855) 8.531 3.788 ( -10.975 9.486 -9.678) 17.438 3.977 ( -8.594 -6.978 -3.222) 11.530 4.368 ( 2.708 -3.891 7.481) 8.856 4.668 ( 3.498 -15.280 -10.753) 19.009 5.263 ( 5.586 1.215 9.535) 11.117 5.502 ( -0.783 -0.980 -2.850) 3.114 5.777 ( -2.310 -0.997 -0.895) 2.671 5.865 ( 7.219 -0.676 3.541) 8.069 6.062 ( -13.656 -0.637 0.082) 13.671 6.260 ( -11.944 0.436 -4.731) 12.854 6.466 ( -0.682 2.856 6.219) 6.878 6.587 ( -0.033 -3.987 1.657) 4.318 7.094 ( -8.847 14.110 14.460) 22.056 7.365 ( -4.447 3.487 -2.949) 6.375 7.477 ( -0.436 2.044 6.051) 6.402 7.636 ( 3.333 7.179 4.107) 8.917 8.003 ( -6.250 9.669 -2.542) 11.791 8.308 ( -8.446 -11.286 2.870) 14.386 8.652 ( 8.425 7.867 -6.483) 13.225 9.212 ( 4.518 -13.449 -15.429) 20.960 9.611 ( -7.982 -3.547 -9.489) 12.897 10.320 ( 10.274 -2.162 -0.589) 10.516 10.628 ( -5.331 1.284 6.560) 8.550 11.250 ( -1.112 -2.971 1.018) 3.332 11.748 ( -3.002 0.878 4.319) 5.333 12.252 ( 4.186 2.426 -0.661) 4.883 12.653 ( 11.356 -2.177 -5.414) 12.768 12.747 ( 7.017 -2.407 3.375) 8.150 13.631 ( 2.529 0.612 -6.567) 7.063 13.813 ( 3.212 -0.316 5.598) 6.462 15.500 ( -18.542 -0.334 -6.315) 19.591 16.067 ( -2.106 2.400 11.298) 11.741 16.609 ( 2.575 2.068 -2.021) 3.872 16.630 ( 4.352 0.361 -2.535) 5.049 17.446 ( 0.810 -1.482 -4.066) 4.403 17.841 ( 6.622 -1.445 3.395) 7.581 25.086 ( 1.108 1.337 1.367) 2.210 25.107 ( 0.809 -0.086 -1.111) 1.377 26.276 ( 4.491 0.788 0.107) 4.561 26.289 ( 4.894 0.059 -0.238) 4.901 26.777 ( 6.739 0.499 -2.375) 7.163 26.826 ( 9.199 -0.558 1.390) 9.320 28.170 ( -4.467 -0.471 11.960) 12.776 28.247 ( -9.005 -0.086 -12.022) 15.021 ======================= Grid point 276 (147/215) ======================= q-point: ( 0.25 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -4.548 3.463 7.232) 9.218 2.744 ( -10.352 -0.844 -4.207) 11.206 3.137 ( 14.361 9.498 -3.446) 17.559 3.382 ( 14.430 2.591 -2.120) 14.813 3.603 ( 4.095 10.079 -7.930) 13.462 4.016 ( 3.740 -3.978 7.491) 9.270 4.460 ( 4.825 -3.132 -2.030) 6.100 4.646 ( 7.285 -19.407 -7.970) 22.208 5.212 ( -13.702 9.832 -6.856) 18.205 5.434 ( -7.405 -10.560 -3.408) 13.340 5.700 ( -11.348 5.050 -4.122) 13.087 5.800 ( -3.166 -1.928 -0.922) 3.819 5.914 ( -10.143 -4.196 6.424) 12.718 6.119 ( 2.687 3.441 0.582) 4.405 6.559 ( 1.955 0.015 4.442) 4.853 6.661 ( 0.716 -4.581 5.730) 7.371 7.073 ( -10.953 10.739 5.797) 16.399 7.218 ( -8.914 -1.768 2.512) 9.428 7.543 ( 1.585 7.935 -1.633) 8.255 7.704 ( 2.392 -2.034 -1.541) 3.497 7.845 ( -6.961 8.101 -0.625) 10.699 8.347 ( -1.060 -1.264 14.294) 14.388 8.722 ( 8.765 10.130 -7.610) 15.406 9.019 ( -4.886 -9.620 -10.209) 14.854 9.491 ( 3.169 -10.462 -8.200) 13.665 10.439 ( 4.767 -2.054 0.082) 5.191 10.646 ( -2.853 0.821 6.453) 7.103 11.176 ( -6.083 -4.087 -1.926) 7.577 11.769 ( -1.436 0.975 4.104) 4.456 12.289 ( 2.391 2.739 -2.068) 4.183 12.801 ( 11.847 -0.648 -2.017) 12.035 12.888 ( 2.449 -0.891 6.603) 7.099 13.651 ( 8.955 1.626 -4.847) 10.312 13.949 ( 4.235 -0.537 7.798) 8.890 15.160 ( -16.098 -2.531 -3.409) 16.648 16.060 ( -9.330 1.487 5.315) 10.840 16.674 ( 7.593 2.749 1.257) 8.173 16.739 ( 9.791 0.503 -1.390) 9.902 17.400 ( 0.346 -1.018 -5.720) 5.821 17.924 ( 1.516 -1.179 -0.443) 1.972 25.081 ( 0.819 1.129 -1.899) 2.356 25.149 ( 1.579 0.174 1.951) 2.516 26.364 ( 6.120 1.354 0.307) 6.275 26.384 ( 6.360 0.214 0.633) 6.395 26.846 ( 5.073 1.285 -2.327) 5.728 26.989 ( 7.528 -0.547 1.908) 7.785 27.976 ( -6.852 -0.115 -10.170) 12.263 28.218 ( -5.698 -0.950 9.516) 11.132 ======================= Grid point 277 (148/215) ======================= q-point: ( 0.33 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -2.710 -0.070 -7.363) 7.846 2.650 ( -3.909 -1.427 4.633) 6.227 3.333 ( 13.682 9.335 -7.056) 18.004 3.575 ( 11.029 9.286 -5.886) 15.573 3.714 ( 15.236 4.819 -0.215) 15.981 4.063 ( -8.424 0.957 3.010) 8.997 4.479 ( 1.953 0.869 -4.019) 4.552 4.667 ( 3.969 -15.951 -6.647) 17.730 4.927 ( -6.295 8.014 -4.341) 11.077 5.162 ( -16.820 -9.858 -5.130) 20.160 5.434 ( 1.711 -3.764 -13.432) 14.054 5.774 ( -5.397 -4.814 -5.021) 8.804 5.932 ( -1.163 5.865 9.379) 11.123 6.212 ( 2.512 2.239 5.343) 6.314 6.591 ( -1.651 -3.521 0.504) 3.922 6.706 ( -4.543 -0.791 7.184) 8.536 6.932 ( -8.160 2.780 1.456) 8.743 7.148 ( -11.123 -0.055 8.758) 14.158 7.503 ( -0.222 4.964 -4.320) 6.584 7.641 ( 0.948 -1.626 -6.214) 6.493 7.875 ( -0.524 5.664 8.288) 10.052 8.467 ( -3.694 0.703 4.378) 5.771 8.701 ( 3.379 6.324 -7.520) 10.391 8.944 ( 3.737 -0.847 -1.257) 4.033 9.476 ( 5.581 -13.761 -5.733) 15.918 10.458 ( -2.178 -1.798 -0.548) 2.877 10.680 ( -2.058 0.190 5.442) 5.821 11.057 ( -3.417 -4.185 -4.049) 6.752 11.789 ( -1.916 0.956 3.882) 4.434 12.281 ( 0.739 2.397 -3.242) 4.099 12.921 ( 1.532 2.588 1.718) 3.464 12.977 ( 4.019 -2.547 0.998) 4.861 13.799 ( 11.795 5.596 1.562) 13.148 14.136 ( 5.172 -2.104 10.572) 11.956 14.939 ( -10.706 -4.173 2.909) 11.853 15.966 ( -8.217 0.098 3.609) 8.976 16.829 ( 9.539 4.264 0.734) 10.474 16.886 ( 10.184 -0.035 -1.321) 10.269 17.319 ( -1.598 -0.969 -5.796) 6.090 17.884 ( -2.437 -0.897 -4.614) 5.294 25.078 ( 1.279 1.051 -1.420) 2.181 25.186 ( 0.771 0.278 0.919) 1.231 26.468 ( 6.619 2.557 -0.134) 7.097 26.496 ( 7.117 -0.267 0.144) 7.123 26.870 ( 1.027 1.863 -1.934) 2.875 27.052 ( -1.187 -0.169 -1.362) 1.815 27.845 ( 1.700 -0.605 -3.379) 3.831 28.227 ( -5.376 -1.156 7.016) 8.914 ======================= Grid point 278 (149/215) ======================= q-point: ( 0.42 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 12.110 1.202 -5.220) 13.242 2.663 ( 1.592 1.036 -0.825) 2.071 3.280 ( -3.638 5.353 -13.801) 15.244 3.488 ( -10.942 -3.516 -11.426) 16.206 3.893 ( 7.120 10.902 -0.202) 13.022 4.043 ( 0.928 1.048 4.852) 5.050 4.423 ( 2.406 0.614 -3.583) 4.359 4.681 ( 4.935 5.322 -1.137) 7.346 4.846 ( -0.070 -5.497 -4.912) 7.372 5.004 ( -0.043 -3.614 -1.030) 3.758 5.395 ( 9.864 -3.649 -11.503) 15.586 5.545 ( -10.684 -6.951 -9.860) 16.114 6.022 ( 2.133 6.443 5.175) 8.534 6.263 ( -1.593 -3.172 0.724) 3.623 6.555 ( -4.225 2.860 2.758) 5.800 6.718 ( -5.712 -2.419 8.107) 10.208 6.876 ( -4.055 -1.509 4.995) 6.608 7.074 ( -10.892 -0.599 10.115) 14.877 7.466 ( 0.974 3.046 -3.385) 4.656 7.631 ( 2.830 4.415 -2.211) 5.692 7.942 ( -1.629 4.765 5.818) 7.695 8.335 ( -10.107 -8.461 -1.079) 13.225 8.702 ( 8.562 12.721 -11.881) 19.398 9.006 ( 4.955 -6.212 -3.585) 8.717 9.548 ( 5.421 -9.911 3.742) 11.901 10.380 ( -4.124 -1.986 -2.333) 5.137 10.706 ( -2.335 -0.264 4.692) 5.247 10.985 ( 0.294 -3.673 -4.390) 5.731 11.806 ( -1.866 0.945 4.222) 4.712 12.243 ( 0.077 1.940 -4.077) 4.516 12.905 ( -4.535 1.812 1.355) 5.068 13.032 ( 4.645 -1.530 -3.382) 5.946 14.033 ( 9.808 8.949 7.664) 15.330 14.314 ( -0.499 -3.493 10.262) 10.851 14.916 ( -1.876 -4.132 11.052) 11.947 15.893 ( -6.022 -0.317 2.611) 6.572 16.962 ( 5.072 3.554 -0.653) 6.228 17.011 ( 8.006 1.341 -1.660) 8.286 17.237 ( 0.327 -1.840 -4.226) 4.620 17.755 ( -3.618 -0.795 -8.124) 8.929 25.087 ( 1.500 1.008 -0.749) 1.957 25.192 ( -0.522 0.197 -0.352) 0.660 26.560 ( 5.869 3.273 -1.144) 6.817 26.602 ( 6.271 -0.283 -0.966) 6.351 26.834 ( -2.923 2.199 -1.330) 3.892 26.948 ( -5.426 -0.506 -4.242) 6.906 27.926 ( 6.616 -0.678 3.296) 7.422 28.215 ( -5.015 -1.112 4.704) 6.965 ======================= Grid point 279 (150/215) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -6.465 5.585 -4.046) 9.453 2.682 ( 14.211 3.292 -6.280) 15.882 3.050 ( -1.601 -0.373 -10.707) 10.832 3.170 ( -6.286 -10.092 -12.001) 16.894 3.942 ( -3.904 4.986 0.382) 6.344 4.055 ( 5.933 1.496 -3.154) 6.884 4.564 ( 8.602 2.425 3.477) 9.590 4.711 ( 2.645 9.234 -0.656) 9.628 4.827 ( -1.285 -2.212 -4.299) 5.003 5.007 ( 2.645 -3.421 -1.222) 4.494 5.195 ( -15.046 -1.423 -7.080) 16.689 5.490 ( 14.471 -1.543 -12.410) 19.126 6.123 ( 4.251 0.470 2.639) 5.026 6.208 ( -2.540 -5.116 -2.273) 6.147 6.503 ( -7.421 2.797 3.862) 8.821 6.714 ( -7.005 -2.008 9.079) 11.641 6.909 ( -0.536 -2.429 5.048) 5.627 7.077 ( -7.728 2.381 13.967) 16.139 7.415 ( -1.032 10.922 -5.785) 12.403 7.649 ( 1.500 5.989 0.303) 6.181 8.002 ( 3.024 0.403 4.222) 5.209 8.207 ( -8.290 -16.411 4.164) 18.851 8.663 ( 8.288 16.167 -16.781) 24.732 8.994 ( 5.891 -13.638 -11.266) 18.644 9.724 ( 4.923 -4.374 11.078) 12.888 10.308 ( 0.386 -2.584 -4.347) 5.072 10.717 ( -3.050 -0.169 4.303) 5.277 10.951 ( 1.362 -3.261 -3.934) 5.288 11.830 ( -2.095 0.739 4.871) 5.354 12.190 ( 0.030 1.645 -4.880) 5.150 12.836 ( -5.284 0.447 0.828) 5.367 13.062 ( 5.148 -0.298 -3.803) 6.407 14.238 ( -1.353 8.458 9.919) 13.105 14.365 ( -1.922 -3.046 7.615) 8.424 15.121 ( 5.238 -2.138 16.126) 17.089 15.820 ( -5.382 0.103 -0.700) 5.428 16.932 ( -5.917 1.963 -0.218) 6.238 17.099 ( 3.200 0.822 -0.438) 3.333 17.258 ( 6.628 -0.686 -3.133) 7.363 17.600 ( -0.830 -1.001 -10.977) 11.054 25.107 ( 1.491 0.912 0.019) 1.748 25.163 ( -1.740 0.042 -1.281) 2.161 26.612 ( 1.028 2.878 -1.517) 3.412 26.640 ( 1.105 1.056 -2.465) 2.901 26.768 ( -2.889 1.501 -0.465) 3.289 26.852 ( 0.477 -0.878 -3.473) 3.614 28.087 ( 6.469 -0.617 5.529) 8.532 28.174 ( -5.775 -0.828 2.555) 6.369 ======================= Grid point 280 (151/215) ======================= q-point: (-0.42 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -9.471 3.135 -2.158) 10.207 2.750 ( 4.102 2.281 -5.106) 6.936 2.982 ( 5.352 -3.302 -9.189) 11.135 3.060 ( 2.670 -8.304 -7.620) 11.582 3.899 ( 3.206 0.512 -2.198) 3.921 4.148 ( 6.104 0.024 1.658) 6.325 4.625 ( -8.074 3.701 -6.155) 10.806 4.689 ( 1.504 8.596 0.409) 8.736 4.799 ( 2.475 4.336 0.215) 4.997 4.918 ( -9.436 0.513 -4.065) 10.287 5.023 ( 1.587 -6.290 -2.645) 7.005 5.528 ( 7.290 0.789 -12.073) 14.126 6.154 ( -0.467 -3.079 -0.274) 3.127 6.221 ( 4.244 -3.632 0.968) 5.669 6.446 ( -5.751 1.605 5.340) 8.010 6.703 ( -9.866 1.129 9.186) 13.528 6.938 ( 2.638 3.485 -3.513) 5.608 7.123 ( -7.986 9.474 16.234) 20.423 7.372 ( 3.319 9.032 -2.445) 9.928 7.698 ( 1.467 -4.031 3.295) 5.409 8.065 ( -3.748 -8.115 0.363) 8.946 8.197 ( 0.883 -7.802 7.801) 11.068 8.608 ( 9.732 13.091 -13.454) 21.144 8.958 ( 9.334 -14.343 -14.497) 22.428 9.948 ( 5.940 -1.154 12.017) 13.455 10.281 ( 4.470 -3.453 -7.487) 9.379 10.712 ( -3.828 0.174 4.015) 5.550 10.928 ( 1.196 -3.065 -3.435) 4.756 11.852 ( -3.194 0.640 5.798) 6.651 12.131 ( 0.427 1.480 -5.379) 5.595 12.774 ( -4.169 -0.427 1.875) 4.591 13.113 ( 6.733 -0.007 -3.354) 7.522 14.174 ( -15.054 1.952 7.068) 16.745 14.502 ( 2.851 2.303 8.495) 9.252 15.405 ( 5.865 0.916 14.820) 15.965 15.686 ( -6.632 -0.197 -6.041) 8.973 16.837 ( -6.776 1.216 2.547) 7.340 17.075 ( -5.846 -0.520 0.349) 5.880 17.329 ( 5.932 1.446 -2.747) 6.696 17.491 ( 4.258 -2.017 -11.640) 12.557 25.110 ( -2.425 0.296 -1.340) 2.787 25.136 ( 1.347 0.480 0.558) 1.536 26.544 ( -4.825 1.160 -1.126) 5.088 26.606 ( -3.730 2.409 -0.689) 4.494 26.760 ( 2.759 1.082 -0.825) 3.076 26.853 ( 2.559 -0.617 -2.806) 3.848 28.081 ( -8.157 -0.126 0.423) 8.168 28.260 ( 7.172 -1.030 5.072) 8.844 ======================= Grid point 281 (152/215) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -2.937 -2.293 0.554) 3.767 2.775 ( 0.612 5.069 0.373) 5.119 2.872 ( -7.910 -2.710 -4.208) 9.360 3.028 ( 4.719 -13.461 -5.510) 15.291 3.984 ( 1.711 11.351 -0.838) 11.510 4.210 ( 0.115 -5.443 0.300) 5.452 4.482 ( 2.030 3.617 -2.122) 4.659 4.615 ( -9.707 6.386 -4.756) 12.555 4.729 ( 3.669 -3.831 -6.948) 8.741 4.930 ( 7.140 7.611 2.738) 10.789 5.068 ( 4.999 -5.186 2.239) 7.543 5.421 ( -2.423 -2.217 -11.365) 11.831 6.186 ( 2.596 2.297 2.409) 4.221 6.284 ( 1.458 -4.273 1.637) 4.803 6.457 ( -1.242 1.032 5.195) 5.440 6.596 ( -11.459 13.223 3.890) 17.924 6.962 ( 4.171 4.579 -1.566) 6.389 7.213 ( -3.224 4.928 11.933) 13.307 7.416 ( 3.674 1.750 -1.160) 4.232 7.751 ( -0.595 -5.952 3.060) 6.719 7.981 ( -4.296 -9.908 1.367) 10.885 8.300 ( -1.589 -2.355 6.378) 6.983 8.684 ( 15.340 9.090 -8.288) 19.663 8.950 ( 11.033 -13.978 -13.256) 22.200 10.172 ( 6.367 3.524 1.254) 7.385 10.276 ( 7.527 -6.586 -2.400) 10.285 10.694 ( -4.171 0.409 4.035) 5.818 10.904 ( 0.573 -2.857 -2.981) 4.169 11.866 ( -4.567 1.052 6.953) 8.385 12.082 ( 1.415 1.089 -5.089) 5.393 12.751 ( -2.592 -1.032 2.845) 3.985 13.192 ( 7.850 -0.214 -2.999) 8.406 13.977 ( -18.178 2.100 4.441) 18.830 14.605 ( -1.717 0.674 6.329) 6.592 15.426 ( -9.094 2.458 -9.288) 13.229 15.680 ( 5.111 -1.592 10.425) 11.719 16.790 ( -3.060 3.526 2.050) 5.099 16.960 ( -7.692 -2.264 0.239) 8.022 17.355 ( 2.648 5.117 -5.213) 7.769 17.460 ( 4.002 -5.205 -4.091) 7.736 25.053 ( -2.646 0.288 -1.036) 2.856 25.168 ( 1.272 0.587 0.998) 1.720 26.464 ( -4.312 1.622 0.004) 4.607 26.530 ( -4.738 1.167 -0.142) 4.882 26.808 ( 2.527 1.807 0.286) 3.120 26.843 ( 0.208 -1.243 -1.704) 2.119 27.921 ( -10.930 -0.126 -1.684) 11.060 28.438 ( 9.132 -0.993 3.021) 9.670 ======================= Grid point 282 (153/215) ======================= q-point: (-0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -2.246 -0.999 1.230) 2.749 2.674 ( -9.076 -6.542 0.439) 11.197 2.797 ( -4.022 -0.933 9.035) 9.933 3.110 ( 5.522 -5.406 0.953) 7.786 3.731 ( -14.787 8.629 -11.225) 20.472 4.289 ( -1.114 5.381 -3.987) 6.790 4.431 ( -8.015 -0.945 4.315) 9.152 4.549 ( 11.434 4.323 -0.521) 12.235 4.776 ( 7.494 -2.658 -8.233) 11.446 5.131 ( 4.809 3.446 8.639) 10.470 5.199 ( 4.274 -4.765 -2.451) 6.854 5.306 ( 11.914 -4.485 0.914) 12.763 6.245 ( -0.532 3.404 1.197) 3.647 6.306 ( -1.239 -2.867 1.904) 3.657 6.456 ( -7.397 17.887 4.120) 19.790 6.562 ( 1.568 -0.391 7.395) 7.569 6.998 ( 2.758 7.479 -2.648) 8.400 7.273 ( -1.136 -0.157 3.442) 3.628 7.451 ( 3.139 -4.509 -2.011) 5.850 7.750 ( -2.046 2.840 2.435) 4.264 8.001 ( -0.467 -10.605 5.859) 12.124 8.282 ( -6.593 -4.183 3.364) 8.502 8.817 ( 13.093 2.421 -10.643) 17.046 9.038 ( 15.047 -7.665 -4.953) 17.598 10.098 ( 2.285 -0.582 -16.772) 16.937 10.472 ( 4.759 -0.422 4.326) 6.445 10.726 ( 2.877 -0.409 8.286) 8.781 10.880 ( 0.514 -2.628 -2.154) 3.437 11.873 ( -5.619 2.297 7.594) 9.722 12.058 ( 2.366 -0.335 -4.041) 4.695 12.741 ( -3.256 -1.442 2.031) 4.099 13.273 ( 5.807 -0.131 -3.155) 6.610 13.716 ( -17.875 2.522 0.788) 18.070 14.558 ( -9.173 -1.075 -1.660) 9.384 15.206 ( -4.261 -0.948 -4.932) 6.586 15.862 ( 3.747 -0.360 8.013) 8.853 16.761 ( -2.144 6.351 -0.642) 6.734 16.867 ( -2.718 -3.492 -2.258) 4.968 17.306 ( 0.705 4.792 -6.196) 7.865 17.513 ( 1.067 -4.310 5.669) 7.201 25.006 ( -2.261 0.437 -0.245) 2.315 25.195 ( 0.879 0.764 0.585) 1.303 26.405 ( -3.499 2.112 0.176) 4.091 26.459 ( -3.368 0.430 -0.873) 3.506 26.773 ( -3.870 0.192 -1.209) 4.059 26.885 ( 1.224 -0.021 3.024) 3.262 27.713 ( -11.678 -0.506 -1.778) 11.823 28.613 ( 10.577 -0.883 -0.176) 10.615 ======================= Grid point 283 (154/215) ======================= q-point: (-0.17 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -3.505 8.240 6.347) 10.976 2.599 ( -4.348 -6.617 4.872) 9.297 2.960 ( 3.127 -7.621 13.019) 15.407 3.053 ( -11.965 2.429 -0.201) 12.211 3.507 ( 4.396 0.743 -5.623) 7.176 4.142 ( -8.780 7.933 -7.920) 14.239 4.398 ( -2.896 1.374 5.464) 6.334 4.611 ( 1.150 -5.200 -4.476) 6.956 4.844 ( 10.117 -1.477 -4.112) 11.021 5.211 ( 3.304 -2.238 2.839) 4.897 5.341 ( 5.349 -3.233 13.106) 14.520 5.710 ( 21.842 1.443 7.323) 23.082 6.161 ( -7.363 4.153 -2.222) 8.741 6.297 ( -2.386 -2.508 1.558) 3.796 6.409 ( -5.453 13.530 4.713) 15.330 6.727 ( 4.154 -0.103 10.148) 10.966 6.975 ( 0.263 13.184 -5.263) 14.198 7.264 ( -0.476 -0.757 -2.142) 2.321 7.467 ( 2.742 -11.951 -2.864) 12.592 7.741 ( -5.161 6.201 3.016) 8.613 8.046 ( 0.407 1.233 2.249) 2.597 8.267 ( -2.508 -12.879 8.622) 15.701 8.854 ( 9.179 -0.762 -11.122) 14.441 9.252 ( 16.072 -3.180 -4.299) 16.938 9.904 ( 1.288 -1.035 -18.343) 18.417 10.473 ( -3.693 0.926 -0.781) 3.887 10.869 ( 1.925 -1.223 -0.892) 2.448 10.968 ( 8.689 -1.812 8.268) 12.131 11.867 ( -6.087 4.166 7.125) 10.256 12.057 ( 2.347 -2.910 -2.716) 4.621 12.667 ( -6.969 -1.716 -1.295) 7.293 13.207 ( -10.823 2.057 -5.121) 12.149 13.529 ( -1.848 0.304 -1.333) 2.299 14.310 ( -11.391 -1.796 -8.609) 14.391 15.208 ( 3.394 -2.528 4.500) 6.178 16.004 ( 2.978 0.082 7.571) 8.136 16.706 ( -3.431 4.932 -1.475) 6.186 16.802 ( 1.345 -1.331 -6.966) 7.219 17.258 ( 1.113 3.285 -3.212) 4.727 17.606 ( -1.336 -2.881 8.970) 9.516 24.978 ( -1.576 0.494 0.646) 1.773 25.206 ( 0.310 1.017 -0.455) 1.157 26.351 ( -3.011 2.169 -0.833) 3.803 26.401 ( -1.578 0.119 -2.464) 2.928 26.692 ( -4.572 0.306 -0.565) 4.617 26.887 ( -5.494 -0.663 1.197) 5.662 27.579 ( -5.148 -0.656 4.968) 7.184 28.751 ( 9.348 -0.841 -4.003) 10.204 ======================= Grid point 284 (155/215) ======================= q-point: (-0.08 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -5.401 17.887 3.667) 19.041 2.627 ( -0.530 -0.780 5.282) 5.365 2.817 ( -8.465 -5.857 7.399) 12.677 3.235 ( 2.656 -9.733 4.699) 11.130 3.650 ( 11.183 1.477 6.363) 12.951 3.890 ( -8.605 0.340 -1.223) 8.698 4.444 ( 7.853 4.772 -2.366) 9.489 4.648 ( 1.252 -10.008 3.121) 10.558 4.972 ( 11.874 -1.890 0.033) 12.023 5.235 ( -9.751 -4.168 5.776) 12.075 5.564 ( 3.824 3.953 6.405) 8.442 6.003 ( 2.562 -0.425 3.699) 4.520 6.075 ( -2.257 6.022 3.851) 7.496 6.278 ( -0.455 -2.274 0.549) 2.384 6.409 ( 2.517 3.639 2.404) 5.036 6.875 ( -0.362 7.333 5.447) 9.142 6.901 ( -2.088 13.929 -0.778) 14.106 7.229 ( -0.435 1.910 -1.259) 2.329 7.479 ( 1.454 -14.495 -0.445) 14.575 7.663 ( -5.890 1.252 1.407) 6.184 8.097 ( 1.385 10.149 2.519) 10.548 8.360 ( -1.141 -13.681 9.393) 16.634 8.864 ( 9.583 3.294 -11.954) 15.671 9.345 ( 6.728 -7.270 -13.656) 16.871 9.800 ( 9.463 -0.606 -9.342) 13.311 10.382 ( -4.509 0.417 -3.411) 5.669 10.912 ( 4.863 -1.087 -0.236) 4.989 11.094 ( -3.054 -0.649 1.710) 3.560 11.854 ( -6.178 4.080 7.054) 10.226 12.066 ( 2.854 -3.714 -2.133) 5.147 12.526 ( -4.831 -1.480 -3.440) 6.112 12.916 ( -12.835 0.866 -7.326) 14.804 13.555 ( 4.056 -0.299 -0.587) 4.109 14.057 ( -7.564 -1.267 -8.149) 11.190 15.377 ( 6.389 -2.220 9.761) 11.876 16.128 ( 0.326 0.726 7.269) 7.313 16.612 ( -5.026 2.900 -2.548) 6.338 16.755 ( 4.931 0.683 -8.811) 10.120 17.285 ( 4.529 1.786 0.880) 4.947 17.651 ( -5.261 -2.647 6.357) 8.666 24.972 ( -0.718 0.431 1.512) 1.729 25.195 ( -0.112 1.197 -1.559) 1.969 26.289 ( -2.549 2.227 -2.107) 3.987 26.344 ( -0.880 -0.586 -4.289) 4.417 26.629 ( -2.496 1.060 -0.100) 2.713 26.766 ( -6.923 -1.794 -1.461) 7.299 27.673 ( 1.393 -0.370 13.243) 13.322 28.797 ( 4.908 -0.777 -7.730) 9.190 ======================= Grid point 333 (156/215) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 1.255 0.000 41.283) 41.302 2.626 ( 4.045 0.000 39.525) 39.731 3.373 ( -3.206 0.000 -32.110) 32.270 3.385 ( -3.350 0.000 -30.787) 30.969 3.853 ( 5.628 0.000 40.870) 41.256 4.362 ( 3.980 0.000 19.583) 19.983 4.415 ( -7.974 0.000 -12.276) 14.639 4.864 ( 4.714 0.000 -7.109) 8.529 5.106 ( -10.001 0.000 -16.575) 19.359 5.161 ( 4.303 0.000 -9.238) 10.191 5.623 ( -4.253 0.000 24.648) 25.012 5.824 ( 9.269 0.000 26.312) 27.897 6.145 ( -12.417 0.000 -16.397) 20.568 6.346 ( -0.730 0.000 10.151) 10.177 6.386 ( 7.393 0.000 -24.164) 25.270 6.516 ( -0.399 0.000 -2.993) 3.020 6.815 ( -5.013 0.000 1.073) 5.127 6.961 ( 7.997 0.000 -13.475) 15.669 7.305 ( -2.432 0.000 2.365) 3.393 7.351 ( 3.605 0.000 -4.037) 5.412 7.608 ( -2.803 0.000 0.861) 2.932 7.696 ( 2.562 0.000 -7.579) 8.000 9.586 ( -10.412 0.000 8.626) 13.521 9.715 ( 8.010 0.000 -3.987) 8.947 10.259 ( -7.651 0.000 4.102) 8.681 10.305 ( 6.102 0.000 -0.050) 6.102 10.976 ( 3.611 0.000 -1.394) 3.871 11.012 ( -2.926 0.000 -4.667) 5.508 11.600 ( -4.472 0.000 4.083) 6.056 11.664 ( 4.473 0.000 -2.159) 4.967 13.020 ( -4.784 0.000 2.750) 5.518 13.061 ( 5.263 0.000 -1.241) 5.408 13.819 ( 4.450 0.000 4.041) 6.011 13.893 ( -3.933 0.000 -2.958) 4.921 15.940 ( -4.852 0.000 5.912) 7.649 16.067 ( 1.354 0.000 -5.262) 5.433 16.085 ( 1.789 0.000 -0.974) 2.037 16.096 ( -0.557 0.000 -1.133) 1.263 17.771 ( 7.176 0.000 3.848) 8.143 17.844 ( -6.886 0.000 -3.230) 7.605 24.927 ( 1.784 0.000 3.181) 3.648 24.992 ( -1.417 0.000 -3.081) 3.391 26.121 ( 1.317 0.000 2.710) 3.013 26.191 ( -0.968 0.000 -4.025) 4.140 26.626 ( 3.091 0.000 4.339) 5.327 26.719 ( -2.194 0.000 -4.614) 5.109 28.309 ( 2.963 0.000 10.301) 10.719 28.506 ( -3.613 0.000 -8.732) 9.451 ======================= Grid point 334 (157/215) ======================= q-point: ( 0.08 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -21.327 0.000 -39.376) 44.780 2.873 ( -11.873 0.000 2.733) 12.183 3.021 ( -1.877 0.000 -3.231) 3.736 3.135 ( 4.640 0.000 39.169) 39.443 4.091 ( -10.955 0.000 -12.256) 16.439 4.330 ( -6.598 0.000 8.317) 10.616 4.590 ( 7.396 0.000 -36.879) 37.613 4.719 ( 11.013 0.000 26.082) 28.312 5.039 ( -0.849 0.000 2.128) 2.291 5.186 ( 6.236 0.000 6.695) 9.149 5.774 ( -6.507 0.000 -12.069) 13.711 5.897 ( -8.251 0.000 30.969) 32.050 6.028 ( -0.123 0.000 -28.651) 28.651 6.272 ( 5.831 0.000 12.608) 13.891 6.377 ( -4.628 0.000 -0.755) 4.689 6.505 ( 1.258 0.000 0.690) 1.434 6.790 ( -1.349 0.000 5.467) 5.631 6.961 ( 9.230 0.000 -8.833) 12.775 7.308 ( 0.407 0.000 0.678) 0.791 7.376 ( 4.088 0.000 -2.158) 4.623 7.633 ( 1.489 0.000 4.393) 4.639 7.687 ( 4.085 0.000 -3.848) 5.612 9.530 ( -7.822 0.000 8.463) 11.524 9.772 ( 4.036 0.000 -5.713) 6.995 10.161 ( -9.735 0.000 3.258) 10.266 10.391 ( 5.405 0.000 -0.306) 5.414 10.954 ( 0.750 0.000 -1.296) 1.497 11.048 ( 5.367 0.000 0.931) 5.447 11.577 ( -2.607 0.000 1.702) 3.114 11.683 ( 1.216 0.000 -2.418) 2.707 12.984 ( -3.313 0.000 2.835) 4.360 13.132 ( 5.420 0.000 -4.338) 6.942 13.753 ( -7.106 0.000 -3.319) 7.843 13.886 ( -1.561 0.000 3.105) 3.475 15.954 ( -2.838 0.000 8.528) 8.988 16.029 ( 1.248 0.000 -4.651) 4.815 16.100 ( 1.550 0.000 -0.538) 1.641 16.134 ( 4.632 0.000 0.273) 4.640 17.708 ( -4.533 0.000 -3.492) 5.722 17.922 ( 5.658 0.000 2.646) 6.246 24.936 ( -0.735 0.000 -3.457) 3.534 24.998 ( 2.556 0.000 2.852) 3.830 26.128 ( -1.107 0.000 -3.439) 3.613 26.170 ( 0.352 0.000 3.219) 3.238 26.651 ( 1.060 0.000 -5.173) 5.280 26.741 ( 4.790 0.000 4.134) 6.327 28.329 ( -4.882 0.000 -9.499) 10.680 28.458 ( 0.570 0.000 10.032) 10.048 ======================= Grid point 335 (158/215) ======================= q-point: ( 0.17 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.142 0.000 -33.753) 33.754 2.560 ( 4.870 0.000 -31.655) 32.027 3.110 ( -13.154 0.000 24.081) 27.440 3.549 ( -12.277 0.000 19.799) 23.296 3.872 ( -1.388 0.000 10.943) 11.031 4.020 ( -25.241 0.000 -6.192) 25.990 4.384 ( 24.404 0.000 -40.212) 47.037 4.857 ( -6.725 0.000 -6.041) 9.040 4.948 ( -11.447 0.000 -1.808) 11.589 5.324 ( 1.280 0.000 0.185) 1.293 5.704 ( 2.668 0.000 -18.253) 18.447 5.976 ( -17.459 0.000 -3.233) 17.756 6.068 ( 19.309 0.000 23.615) 30.504 6.103 ( -9.503 0.000 16.595) 19.123 6.429 ( -0.549 0.000 -9.958) 9.973 6.553 ( 2.243 0.000 3.236) 3.937 6.976 ( 5.733 0.000 17.222) 18.151 7.040 ( 9.146 0.000 -2.595) 9.507 7.306 ( 0.212 0.000 -2.888) 2.896 7.426 ( 6.335 0.000 -3.903) 7.440 7.728 ( 3.380 0.000 1.127) 3.563 7.746 ( 3.015 0.000 8.749) 9.254 9.562 ( -2.453 0.000 9.637) 9.944 9.613 ( -11.611 0.000 -11.123) 16.079 10.118 ( -3.464 0.000 8.515) 9.192 10.485 ( 5.986 0.000 1.151) 6.096 10.993 ( 4.814 0.000 -1.205) 4.963 11.149 ( 4.665 0.000 1.579) 4.925 11.559 ( -0.453 0.000 -0.608) 0.759 11.652 ( -1.946 0.000 -0.662) 2.055 12.986 ( -2.415 0.000 4.913) 5.474 13.039 ( -5.257 0.000 -11.639) 12.771 13.689 ( 1.846 0.000 1.219) 2.212 13.857 ( -5.273 0.000 1.974) 5.631 16.002 ( 3.787 0.000 -6.340) 7.385 16.041 ( -0.735 0.000 6.868) 6.907 16.149 ( 4.785 0.000 3.898) 6.171 16.227 ( 4.970 0.000 2.327) 5.488 17.624 ( -1.705 0.000 -2.690) 3.185 17.969 ( -0.954 0.000 -2.166) 2.367 24.887 ( -0.265 0.000 -3.336) 3.346 25.071 ( 2.729 0.000 2.118) 3.454 26.082 ( 0.014 0.000 -2.489) 2.489 26.208 ( -0.595 0.000 3.477) 3.527 26.628 ( 3.542 0.000 -5.155) 6.254 26.862 ( 3.778 0.000 4.166) 5.624 28.142 ( -3.839 0.000 -9.537) 10.281 28.566 ( -1.569 0.000 9.359) 9.490 ======================= Grid point 336 (159/215) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 27.053 0.000 -8.417) 28.332 2.330 ( 10.528 0.000 -27.277) 29.238 3.089 ( -16.428 0.000 10.067) 19.267 3.305 ( -22.957 0.000 4.556) 23.405 3.546 ( -19.958 0.000 -9.756) 22.215 4.173 ( 10.519 0.000 6.273) 12.247 4.344 ( 10.477 0.000 -23.419) 25.656 4.634 ( -8.311 0.000 -2.492) 8.676 4.767 ( 2.115 0.000 -0.783) 2.256 5.308 ( 5.943 0.000 -13.829) 15.052 5.543 ( -25.828 0.000 -4.427) 26.205 5.556 ( -7.551 0.000 -2.519) 7.960 6.212 ( -3.946 0.000 12.894) 13.484 6.222 ( 0.895 0.000 -9.585) 9.627 6.547 ( 1.250 0.000 -5.095) 5.246 6.665 ( 12.782 0.000 12.878) 18.144 7.207 ( 11.296 0.000 2.916) 11.667 7.209 ( 0.376 0.000 4.043) 4.060 7.264 ( -2.953 0.000 6.195) 6.862 7.465 ( 7.441 0.000 -7.601) 10.637 7.829 ( 4.851 0.000 4.926) 6.913 7.960 ( 6.320 0.000 16.015) 17.217 9.219 ( -19.604 0.000 -10.728) 22.348 9.624 ( -4.216 0.000 7.009) 8.179 10.209 ( -0.878 0.000 11.122) 11.156 10.593 ( 4.003 0.000 2.725) 4.842 11.043 ( 5.483 0.000 -4.969) 7.399 11.186 ( 1.136 0.000 -4.279) 4.427 11.550 ( 0.719 0.000 -1.402) 1.575 11.658 ( -2.361 0.000 8.235) 8.567 12.807 ( -2.789 0.000 -11.170) 11.513 13.018 ( -3.537 0.000 8.094) 8.833 13.782 ( 4.629 0.000 3.081) 5.560 13.785 ( -5.351 0.000 0.612) 5.386 16.001 ( 6.665 0.000 -7.809) 10.267 16.056 ( -1.892 0.000 1.022) 2.151 16.342 ( 5.884 0.000 2.543) 6.411 16.348 ( 6.657 0.000 10.531) 12.459 17.578 ( -1.718 0.000 -1.048) 2.012 17.846 ( -5.082 0.000 -8.849) 10.204 24.857 ( 0.821 0.000 -2.050) 2.209 25.130 ( 2.197 0.000 1.152) 2.481 26.070 ( 1.207 0.000 -1.311) 1.782 26.232 ( -1.385 0.000 3.218) 3.503 26.636 ( 4.758 0.000 -4.714) 6.698 26.941 ( -0.191 0.000 3.528) 3.533 28.010 ( 0.809 0.000 -7.468) 7.512 28.625 ( -3.954 0.000 7.552) 8.525 ======================= Grid point 337 (160/215) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 10.519 0.000 -18.030) 20.874 2.389 ( 13.088 0.000 4.886) 13.970 2.896 ( -14.081 0.000 4.611) 14.817 3.059 ( -10.900 0.000 1.918) 11.067 3.197 ( -4.074 0.000 -16.311) 16.812 3.955 ( -16.906 0.000 -14.924) 22.551 4.372 ( 1.182 0.000 -4.886) 5.027 4.597 ( -3.880 0.000 9.422) 10.190 4.974 ( 16.842 0.000 -6.740) 18.140 5.195 ( 3.312 0.000 -19.072) 19.358 5.257 ( -3.495 0.000 10.580) 11.143 5.357 ( -6.200 0.000 -7.413) 9.664 6.191 ( -5.134 0.000 -3.625) 6.285 6.215 ( 1.866 0.000 3.671) 4.118 6.581 ( 2.937 0.000 6.192) 6.854 6.854 ( 3.643 0.000 0.834) 3.737 7.111 ( -4.680 0.000 -6.754) 8.217 7.301 ( -1.694 0.000 -2.697) 3.184 7.332 ( -2.558 0.000 6.511) 6.995 7.547 ( 10.112 0.000 -3.174) 10.598 7.972 ( 2.946 0.000 7.143) 7.727 8.293 ( 10.663 0.000 10.185) 14.746 8.814 ( -17.026 0.000 -2.247) 17.173 9.561 ( -10.565 0.000 2.312) 10.815 10.338 ( -1.706 0.000 13.783) 13.888 10.663 ( 0.438 0.000 3.618) 3.645 11.044 ( 5.384 0.000 -8.864) 10.371 11.119 ( 2.883 0.000 -10.166) 10.567 11.541 ( 0.323 0.000 -1.706) 1.736 11.700 ( -7.941 0.000 9.250) 12.191 12.763 ( 7.047 0.000 -1.722) 7.254 13.064 ( -5.068 0.000 11.024) 12.133 13.716 ( -2.981 0.000 -0.702) 3.063 13.873 ( 2.295 0.000 2.140) 3.138 16.022 ( 7.426 0.000 -7.806) 10.774 16.024 ( -2.645 0.000 -0.160) 2.650 16.472 ( 8.211 0.000 0.603) 8.233 16.549 ( 1.986 0.000 10.233) 10.424 17.534 ( -4.005 0.000 1.057) 4.142 17.657 ( -1.745 0.000 -11.418) 11.551 24.875 ( 2.668 0.000 0.658) 2.748 25.163 ( 0.998 0.000 0.007) 0.998 26.086 ( 1.856 0.000 -0.264) 1.874 26.239 ( -2.049 0.000 2.413) 3.166 26.664 ( 5.569 0.000 -4.196) 6.972 26.929 ( -5.099 0.000 1.821) 5.414 28.008 ( 7.084 0.000 -3.354) 7.838 28.611 ( -6.915 0.000 4.330) 8.159 ======================= Grid point 338 (161/215) ======================= q-point: ( 0.42 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 6.500 0.000 -5.884) 8.767 2.468 ( -13.802 0.000 13.111) 19.037 2.857 ( 4.859 0.000 -0.070) 4.859 2.978 ( -1.794 0.000 -8.830) 9.010 3.064 ( 11.177 0.000 -13.367) 17.424 3.610 ( -4.902 0.000 -5.952) 7.711 4.065 ( -21.369 0.000 -7.523) 22.655 4.541 ( -16.005 0.000 -1.538) 16.079 5.058 ( 3.845 0.000 -2.013) 4.340 5.187 ( 10.057 0.000 2.772) 10.432 5.294 ( 10.267 0.000 -10.925) 14.992 5.486 ( 11.583 0.000 -0.103) 11.583 6.098 ( 3.330 0.000 -2.514) 4.172 6.305 ( -2.842 0.000 10.258) 10.644 6.722 ( 3.295 0.000 6.336) 7.141 6.826 ( -5.252 0.000 -4.493) 6.911 6.954 ( -5.678 0.000 -2.478) 6.195 7.206 ( -3.162 0.000 -2.528) 4.048 7.357 ( 2.983 0.000 -1.665) 3.416 7.585 ( -2.370 0.000 -3.206) 3.987 8.062 ( -2.482 0.000 6.779) 7.219 8.287 ( -0.750 0.000 -12.692) 12.714 8.873 ( 7.597 0.000 14.398) 16.279 9.381 ( -13.192 0.000 0.940) 13.225 10.478 ( -3.707 0.000 16.766) 17.171 10.710 ( -1.141 0.000 5.464) 5.582 11.011 ( 5.036 0.000 -10.528) 11.671 11.051 ( 5.270 0.000 -12.589) 13.648 11.522 ( 0.281 0.000 -1.699) 1.722 11.625 ( -9.395 0.000 3.174) 9.916 12.927 ( 9.069 0.000 4.730) 10.228 13.111 ( -5.849 0.000 10.802) 12.284 13.684 ( 0.016 0.000 -0.108) 0.110 13.891 ( -0.724 0.000 -1.400) 1.576 15.978 ( -3.403 0.000 0.809) 3.498 16.041 ( 5.789 0.000 -6.850) 8.968 16.612 ( 10.628 0.000 -2.414) 10.899 16.637 ( -4.394 0.000 8.034) 9.158 17.474 ( -6.826 0.000 3.345) 7.601 17.552 ( 4.058 0.000 -9.418) 10.255 24.950 ( 3.710 0.000 2.952) 4.741 25.159 ( -0.678 0.000 -1.304) 1.469 26.121 ( 2.380 0.000 0.617) 2.459 26.224 ( -2.538 0.000 1.158) 2.790 26.713 ( 6.447 0.000 -3.621) 7.394 26.841 ( -7.436 0.000 0.935) 7.494 28.136 ( 10.732 0.000 0.051) 10.732 28.511 ( -9.611 0.000 1.193) 9.685 ======================= Grid point 339 (162/215) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 12.100 0.000 4.013) 12.748 2.365 ( -14.821 0.000 8.221) 16.948 2.726 ( -13.016 0.000 -4.540) 13.785 2.933 ( 16.506 0.000 -17.884) 24.337 3.261 ( 16.042 0.000 6.073) 17.153 3.440 ( -15.899 0.000 -8.849) 18.195 3.935 ( 12.060 0.000 7.003) 13.946 4.164 ( -14.461 0.000 -12.107) 18.860 5.187 ( 2.105 0.000 7.302) 7.599 5.221 ( -9.151 0.000 2.726) 9.549 5.382 ( 11.584 0.000 -4.792) 12.536 5.481 ( -1.745 0.000 -10.481) 10.625 6.280 ( -16.946 0.000 7.601) 18.572 6.285 ( 12.915 0.000 4.924) 13.822 6.658 ( -5.363 0.000 -1.199) 5.495 6.769 ( 7.663 0.000 -10.310) 12.846 6.970 ( -3.454 0.000 14.587) 14.990 7.178 ( 2.465 0.000 -2.618) 3.595 7.417 ( -8.643 0.000 -6.459) 10.790 7.421 ( 10.739 0.000 -4.123) 11.503 8.058 ( -6.762 0.000 5.926) 8.991 8.209 ( 5.890 0.000 -8.319) 10.193 9.150 ( 11.030 0.000 5.854) 12.487 9.200 ( -10.787 0.000 0.895) 10.824 10.612 ( -5.561 0.000 17.882) 18.727 10.752 ( -3.438 0.000 7.162) 7.944 10.952 ( 2.475 0.000 -9.547) 9.862 10.972 ( 4.606 0.000 -14.229) 14.955 11.526 ( -5.206 0.000 0.915) 5.286 11.535 ( 3.741 0.000 -0.429) 3.765 13.113 ( -6.494 0.000 5.042) 8.222 13.117 ( 8.150 0.000 3.585) 8.904 13.723 ( 2.164 0.000 3.613) 4.211 13.821 ( -2.902 0.000 -4.872) 5.671 15.939 ( -4.799 0.000 3.472) 5.923 16.040 ( 3.627 0.000 -5.742) 6.791 16.618 ( -7.963 0.000 6.062) 10.008 16.738 ( 10.672 0.000 -5.379) 11.951 17.405 ( -8.422 0.000 5.787) 10.219 17.543 ( 6.622 0.000 -7.250) 9.819 25.046 ( 3.161 0.000 3.401) 4.643 25.110 ( -2.467 0.000 -2.677) 3.641 26.174 ( 2.890 0.000 1.044) 3.072 26.188 ( -2.730 0.000 -0.177) 2.736 26.734 ( -7.667 0.000 1.537) 7.819 26.782 ( 7.080 0.000 -2.808) 7.617 28.324 ( 11.516 0.000 1.362) 11.596 28.346 ( -11.347 0.000 -0.737) 11.371 ======================= Grid point 340 (163/215) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -14.244 0.000 -0.441) 14.251 2.617 ( -5.375 0.000 11.154) 12.382 2.644 ( 13.750 0.000 5.689) 14.881 2.887 ( -0.959 0.000 -13.341) 13.375 3.125 ( -5.882 0.000 -9.209) 10.927 3.558 ( 12.237 0.000 3.277) 12.668 4.032 ( 15.922 0.000 -5.747) 16.927 4.322 ( 15.599 0.000 14.586) 21.356 5.057 ( -13.733 0.000 3.872) 14.268 5.127 ( -22.468 0.000 5.765) 23.196 5.279 ( -4.286 0.000 -11.794) 12.549 5.507 ( 8.286 0.000 -1.895) 8.500 6.072 ( -11.328 0.000 3.422) 11.834 6.464 ( 3.629 0.000 0.512) 3.665 6.669 ( 1.851 0.000 4.308) 4.689 6.784 ( 5.882 0.000 -5.610) 8.128 7.088 ( -0.519 0.000 9.906) 9.920 7.146 ( 2.598 0.000 -12.814) 13.074 7.286 ( -1.564 0.000 2.808) 3.214 7.576 ( 8.672 0.000 -1.664) 8.830 8.054 ( -0.783 0.000 8.558) 8.594 8.213 ( 4.779 0.000 -7.238) 8.673 9.051 ( -7.057 0.000 -2.931) 7.642 9.366 ( 11.156 0.000 1.694) 11.284 10.720 ( -5.478 0.000 14.157) 15.180 10.730 ( -8.034 0.000 1.733) 8.219 10.872 ( -0.677 0.000 -4.816) 4.863 10.892 ( 4.531 0.000 -8.292) 9.450 11.496 ( -0.341 0.000 1.011) 1.067 11.638 ( 8.412 0.000 1.238) 8.503 13.016 ( -7.862 0.000 -2.253) 8.178 13.254 ( 7.445 0.000 -2.177) 7.757 13.715 ( -2.768 0.000 -3.631) 4.566 13.820 ( 2.460 0.000 5.247) 5.795 15.901 ( -7.308 0.000 6.058) 9.493 16.027 ( 2.363 0.000 -3.988) 4.636 16.548 ( -7.899 0.000 3.913) 8.816 16.807 ( 7.696 0.000 -8.061) 11.145 17.359 ( -7.791 0.000 8.711) 11.687 17.569 ( 5.857 0.000 -5.683) 8.161 25.021 ( -3.808 0.000 -3.644) 5.271 25.120 ( 1.600 0.000 2.458) 2.933 26.138 ( -2.594 0.000 -0.908) 2.748 26.232 ( 3.102 0.000 0.475) 3.138 26.642 ( -7.089 0.000 2.821) 7.630 26.867 ( 6.925 0.000 -1.630) 7.114 28.150 ( -11.480 0.000 -1.234) 11.546 28.516 ( 10.649 0.000 0.859) 10.684 ======================= Grid point 341 (164/215) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -20.237 0.000 8.927) 22.119 2.486 ( -25.633 0.000 -3.290) 25.844 2.793 ( 7.951 0.000 14.049) 16.143 2.994 ( 13.688 0.000 5.311) 14.682 3.094 ( 14.272 0.000 -7.443) 16.096 3.811 ( 14.889 0.000 -1.768) 14.993 4.239 ( -2.694 0.000 5.335) 5.977 4.647 ( -0.814 0.000 14.679) 14.702 4.844 ( -6.281 0.000 5.769) 8.528 4.930 ( -5.914 0.000 0.549) 5.940 5.195 ( 7.339 0.000 1.238) 7.443 5.534 ( 4.832 0.000 -12.698) 13.587 6.047 ( -0.315 0.000 7.892) 7.899 6.414 ( -1.065 0.000 -10.650) 10.703 6.731 ( 0.908 0.000 -2.270) 2.445 6.801 ( -2.730 0.000 3.475) 4.419 7.076 ( 5.772 0.000 -6.034) 8.351 7.195 ( 1.274 0.000 6.865) 6.982 7.358 ( 4.566 0.000 2.900) 5.409 7.544 ( -9.097 0.000 -1.047) 9.157 8.156 ( 0.247 0.000 -9.775) 9.778 8.262 ( 8.533 0.000 7.796) 11.558 8.917 ( -0.012 0.000 -6.972) 6.972 9.549 ( 9.002 0.000 1.978) 9.216 10.567 ( -7.978 0.000 -5.163) 9.503 10.715 ( -5.410 0.000 0.352) 5.421 10.898 ( 0.608 0.000 9.284) 9.304 10.912 ( 2.767 0.000 0.276) 2.781 11.517 ( 1.008 0.000 0.814) 1.296 11.807 ( 10.938 0.000 -0.111) 10.938 12.817 ( -10.507 0.000 -5.966) 12.083 13.274 ( 3.213 0.000 -8.818) 9.385 13.693 ( 2.238 0.000 1.178) 2.529 13.891 ( 0.766 0.000 1.282) 1.493 15.855 ( -8.615 0.000 7.844) 11.651 16.029 ( 2.014 0.000 -1.340) 2.419 16.470 ( -5.892 0.000 1.268) 6.027 16.775 ( 2.313 0.000 -11.471) 11.702 17.391 ( -3.811 0.000 13.643) 14.166 17.584 ( 3.224 0.000 -3.913) 5.070 24.916 ( -3.946 0.000 -3.139) 5.042 25.153 ( -0.101 0.000 1.081) 1.086 26.089 ( -2.312 0.000 -0.651) 2.402 26.277 ( 2.839 0.000 -1.007) 3.012 26.578 ( -6.170 0.000 3.984) 7.344 26.952 ( 5.071 0.000 -0.653) 5.113 27.974 ( -8.983 0.000 0.012) 8.983 28.670 ( 8.837 0.000 -1.243) 8.924 ======================= Grid point 342 (165/215) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -21.114 0.000 22.739) 31.031 1.985 ( -35.114 0.000 -0.723) 35.122 3.150 ( 17.011 0.000 9.441) 19.455 3.253 ( 3.278 0.000 14.055) 14.432 3.370 ( 25.595 0.000 -0.238) 25.596 3.658 ( -31.478 0.000 15.032) 34.883 4.415 ( 22.499 0.000 -1.917) 22.580 4.682 ( -4.134 0.000 4.094) 5.818 4.903 ( -3.830 0.000 9.937) 10.649 4.925 ( 3.685 0.000 -9.849) 10.516 5.485 ( 14.603 0.000 8.380) 16.836 5.526 ( 16.366 0.000 -5.981) 17.425 6.209 ( 4.605 0.000 10.752) 11.697 6.229 ( -4.955 0.000 -9.477) 10.694 6.643 ( 0.548 0.000 -10.466) 10.480 6.762 ( -6.990 0.000 1.413) 7.132 7.144 ( 4.149 0.000 0.438) 4.172 7.258 ( -5.069 0.000 1.533) 5.296 7.337 ( -11.976 0.000 2.201) 12.177 7.467 ( 7.635 0.000 -2.958) 8.188 7.991 ( -4.319 0.000 -11.348) 12.142 8.274 ( -4.259 0.000 -11.384) 12.154 9.031 ( 14.010 0.000 6.674) 15.518 9.676 ( 4.036 0.000 1.100) 4.184 10.388 ( -6.653 0.000 -4.941) 8.287 10.614 ( -7.858 0.000 0.386) 7.868 10.963 ( 2.084 0.000 1.016) 2.318 11.055 ( 4.981 0.000 8.182) 9.579 11.537 ( 0.891 0.000 0.066) 0.893 11.902 ( 5.587 0.000 -11.592) 12.868 12.626 ( -6.847 0.000 4.187) 8.026 13.182 ( -0.952 0.000 -7.950) 8.007 13.782 ( 6.187 0.000 0.928) 6.256 13.860 ( -2.556 0.000 -3.973) 4.725 15.831 ( -6.228 0.000 8.369) 10.432 16.054 ( 1.632 0.000 0.380) 1.675 16.387 ( -4.807 0.000 -1.273) 4.972 16.600 ( -4.783 0.000 -13.894) 14.694 17.581 ( 0.746 0.000 -1.614) 1.778 17.581 ( 4.135 0.000 17.024) 17.519 24.839 ( -2.437 0.000 -0.570) 2.503 25.145 ( -1.398 0.000 -0.242) 1.419 26.053 ( -1.956 0.000 0.339) 1.985 26.295 ( 2.188 0.000 -2.622) 3.415 26.541 ( -5.074 0.000 4.599) 6.848 26.990 ( 0.482 0.000 -1.233) 1.324 27.894 ( -3.061 0.000 3.500) 4.650 28.755 ( 6.075 0.000 -4.796) 7.740 ======================= Grid point 343 (166/215) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -26.759 0.000 16.289) 31.327 1.849 ( -14.605 0.000 34.580) 37.538 3.341 ( -35.356 0.000 48.804) 60.265 3.476 ( 19.248 0.000 -5.500) 20.019 3.643 ( 12.627 0.000 3.676) 13.151 3.849 ( 26.895 0.000 8.259) 28.135 4.436 ( -2.397 0.000 -26.233) 26.342 4.715 ( 2.463 0.000 5.608) 6.125 4.978 ( 19.896 0.000 -4.581) 20.416 5.043 ( -1.380 0.000 19.831) 19.879 5.617 ( -4.130 0.000 -6.223) 7.468 5.799 ( 11.768 0.000 6.930) 13.657 6.185 ( 4.353 0.000 6.734) 8.018 6.370 ( 4.173 0.000 2.498) 4.864 6.530 ( -16.963 0.000 -12.296) 20.951 6.596 ( 9.052 0.000 -8.615) 12.496 7.031 ( -11.612 0.000 -1.267) 11.681 7.168 ( -3.550 0.000 1.038) 3.699 7.327 ( -3.596 0.000 5.317) 6.419 7.457 ( 5.680 0.000 -17.036) 17.958 7.814 ( -2.672 0.000 -6.987) 7.481 8.018 ( -4.164 0.000 -16.128) 16.657 9.365 ( 10.311 0.000 12.789) 16.427 9.695 ( 0.261 0.000 -2.994) 3.005 10.253 ( -3.241 0.000 -3.857) 5.038 10.473 ( -11.055 0.000 1.654) 11.178 10.987 ( 0.882 0.000 -1.287) 1.560 11.188 ( 2.714 0.000 0.335) 2.735 11.558 ( 2.459 0.000 -0.422) 2.495 11.717 ( -5.478 0.000 -9.945) 11.354 12.773 ( 7.150 0.000 14.190) 15.890 13.081 ( -1.863 0.000 -4.529) 4.898 13.744 ( -4.203 0.000 -4.296) 6.010 13.882 ( 5.586 0.000 -0.435) 5.603 15.860 ( -2.115 0.000 7.252) 7.554 16.079 ( 0.805 0.000 0.316) 0.864 16.283 ( -5.289 0.000 -2.654) 5.917 16.339 ( -6.952 0.000 -11.991) 13.861 17.584 ( 0.655 0.000 0.924) 1.132 17.852 ( 6.315 0.000 10.209) 12.004 24.830 ( -0.219 0.000 2.133) 2.144 25.107 ( -2.038 0.000 -1.382) 2.462 26.041 ( -0.775 0.000 1.627) 1.802 26.284 ( 1.260 0.000 -3.752) 3.957 26.527 ( -3.495 0.000 4.728) 5.880 26.935 ( -3.897 0.000 -2.787) 4.791 27.963 ( 2.722 0.000 7.534) 8.011 28.743 ( 2.130 0.000 -7.914) 8.196 ======================= Grid point 344 (167/215) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 20.211 0.000 43.106) 47.609 2.140 ( -5.778 0.000 40.400) 40.811 3.426 ( -27.188 0.000 49.020) 56.055 3.584 ( 14.647 0.000 -22.115) 26.526 3.848 ( 3.094 0.000 -13.975) 14.313 4.104 ( 4.683 0.000 -6.092) 7.684 4.337 ( 19.662 0.000 7.028) 20.880 4.852 ( -0.211 0.000 7.698) 7.701 5.164 ( 10.419 0.000 -7.924) 13.090 5.292 ( 1.677 0.000 9.200) 9.351 5.419 ( -9.570 0.000 13.918) 16.891 5.920 ( -22.867 0.000 -21.200) 31.182 6.062 ( 7.677 0.000 13.698) 15.703 6.409 ( 1.715 0.000 -6.957) 7.166 6.434 ( 7.720 0.000 5.015) 9.206 6.590 ( 3.716 0.000 -15.178) 15.626 6.900 ( -6.585 0.000 0.650) 6.617 7.044 ( -2.000 0.000 -9.636) 9.841 7.320 ( -3.721 0.000 3.660) 5.219 7.364 ( 5.307 0.000 -10.539) 11.800 7.698 ( -3.673 0.000 -5.518) 6.629 7.803 ( -1.280 0.000 -12.171) 12.238 9.585 ( -2.573 0.000 11.889) 12.164 9.665 ( 3.675 0.000 -4.605) 5.891 10.221 ( 3.956 0.000 -1.667) 4.293 10.337 ( -9.822 0.000 4.403) 10.764 10.969 ( 0.946 0.000 -2.923) 3.073 11.130 ( -2.815 0.000 -6.339) 6.936 11.607 ( 4.695 0.000 -1.192) 4.844 11.619 ( -4.011 0.000 3.234) 5.153 13.007 ( 1.594 0.000 7.911) 8.070 13.031 ( 0.630 0.000 -1.845) 1.950 13.702 ( 3.004 0.000 1.326) 3.284 13.933 ( 1.867 0.000 -1.472) 2.378 15.918 ( -0.955 0.000 5.633) 5.713 16.085 ( 0.172 0.000 -0.570) 0.595 16.142 ( -2.129 0.000 -8.096) 8.372 16.166 ( -5.194 0.000 -2.282) 5.673 17.639 ( 3.784 0.000 2.974) 4.813 17.950 ( -2.010 0.000 0.256) 2.026 24.869 ( 0.929 0.000 3.034) 3.173 25.052 ( -1.990 0.000 -2.345) 3.076 26.069 ( 1.143 0.000 2.366) 2.628 26.247 ( 0.104 0.000 -4.202) 4.203 26.550 ( -0.451 0.000 4.674) 4.696 26.824 ( -4.477 0.000 -3.821) 5.886 28.129 ( 4.373 0.000 9.752) 10.688 28.648 ( -1.341 0.000 -8.483) 8.588 ======================= Grid point 345 (168/215) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -0.104 -16.462 40.125) 43.371 2.668 ( 4.839 3.597 37.015) 37.503 3.144 ( -3.365 -19.968 -33.177) 38.868 3.367 ( 0.135 -1.470 -30.187) 30.223 4.168 ( 8.250 21.022 30.260) 37.758 4.328 ( -7.085 6.931 14.804) 17.816 4.443 ( -3.463 -3.357 0.837) 4.896 4.867 ( 2.544 1.324 -3.374) 4.428 5.199 ( -3.682 3.755 -6.137) 8.082 5.262 ( 0.654 9.578 -7.400) 12.122 5.601 ( -0.055 -0.277 11.768) 11.771 5.856 ( 5.628 3.616 24.570) 25.464 6.091 ( -8.136 -4.647 -17.618) 19.954 6.279 ( 0.140 -6.380 8.604) 10.712 6.390 ( 4.426 1.971 -10.027) 11.136 6.535 ( -3.389 0.919 -10.569) 11.137 6.827 ( -1.412 -1.282 -2.644) 3.260 6.942 ( 4.698 -1.798 -12.378) 13.361 7.262 ( -3.104 -0.775 5.539) 6.396 7.384 ( 2.718 2.021 -6.567) 7.389 7.638 ( -1.860 4.248 4.281) 6.312 7.781 ( 3.629 6.592 -9.500) 12.120 9.553 ( -9.669 -4.471 8.206) 13.447 9.679 ( 6.586 -3.014 -3.869) 8.211 10.160 ( -0.537 -6.711 3.365) 7.527 10.230 ( 1.732 -6.588 -3.448) 7.635 10.975 ( -6.076 0.396 1.926) 6.386 11.057 ( 5.047 1.403 -5.118) 7.324 11.663 ( -4.667 5.901 5.296) 9.200 11.754 ( 4.466 7.959 -3.622) 9.819 12.937 ( -2.501 -6.839 5.871) 9.354 13.045 ( 3.346 -3.554 -4.857) 6.885 13.759 ( 2.339 -4.587 4.521) 6.852 13.851 ( -2.470 -3.626 -4.382) 6.200 15.866 ( -4.298 -3.644 4.821) 7.415 15.959 ( 2.208 -3.492 -3.931) 5.703 16.209 ( -1.106 8.518 1.742) 8.764 16.270 ( 1.260 9.409 -3.878) 10.255 17.737 ( 7.629 -3.147 5.025) 9.662 17.824 ( -7.033 -2.087 -3.323) 8.054 24.944 ( 1.557 1.635 3.048) 3.793 25.006 ( -1.233 1.279 -2.904) 3.404 26.136 ( 1.096 1.260 2.694) 3.170 26.203 ( -0.876 1.048 -3.849) 4.084 26.629 ( 2.947 0.226 3.998) 4.972 26.715 ( -2.365 -0.405 -4.194) 4.832 28.280 ( 2.930 -2.501 11.439) 12.071 28.503 ( -3.296 -0.341 -10.297) 10.817 ======================= Grid point 346 (169/215) ======================= q-point: ( 0.08 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -15.574 -12.383 -35.121) 40.366 2.732 ( -11.464 -13.473 34.525) 38.793 2.996 ( 5.106 0.642 -32.107) 32.516 3.191 ( 7.732 0.679 29.269) 30.281 4.084 ( -19.367 1.738 -2.705) 19.632 4.262 ( -14.227 -5.360 2.118) 15.350 4.749 ( 13.303 15.289 -17.271) 26.627 4.860 ( 1.272 4.724 0.469) 4.914 5.127 ( 5.624 10.870 13.454) 18.188 5.247 ( 4.177 6.816 0.480) 8.008 5.701 ( -5.716 -6.142 -5.212) 9.877 5.911 ( -1.056 -0.996 14.893) 14.964 6.052 ( -2.902 4.852 -18.699) 19.535 6.273 ( 0.327 -2.797 4.013) 4.903 6.346 ( 2.393 -0.086 4.938) 5.489 6.513 ( 0.237 0.810 3.026) 3.142 6.737 ( -2.855 -5.351 3.779) 7.146 6.964 ( 7.388 -0.754 -5.954) 9.519 7.291 ( 1.113 -1.890 2.971) 3.693 7.391 ( 3.954 2.770 -2.367) 5.377 7.659 ( -1.269 4.181 3.452) 5.568 7.762 ( 4.732 5.536 -5.543) 9.152 9.456 ( -10.356 -6.674 6.695) 14.022 9.776 ( 6.528 -1.130 -2.737) 7.169 10.021 ( -11.510 -9.983 -0.448) 15.243 10.353 ( 9.889 -4.055 -0.330) 10.693 10.895 ( -5.368 -2.352 3.335) 6.743 11.153 ( 9.443 4.584 -1.574) 10.614 11.630 ( -4.759 5.201 2.188) 7.381 11.775 ( 2.335 8.167 -2.538) 8.865 12.953 ( -2.037 -3.435 3.678) 5.429 13.066 ( 4.991 -6.521 -5.430) 9.845 13.704 ( -6.463 -3.930 -2.020) 7.829 13.853 ( 0.702 -2.601 2.657) 3.784 15.841 ( -5.236 -5.643 4.191) 8.765 15.967 ( 2.671 -3.693 -1.222) 4.718 16.195 ( -0.385 8.908 0.554) 8.934 16.306 ( 4.588 9.203 -0.361) 10.289 17.670 ( -5.103 -3.414 -4.358) 7.530 17.913 ( 6.571 -1.188 2.929) 7.292 24.953 ( -0.731 1.581 -3.056) 3.518 25.012 ( 2.421 1.255 2.522) 3.715 26.143 ( -0.844 1.414 -2.493) 2.988 26.192 ( 1.204 1.777 2.472) 3.274 26.651 ( 0.995 0.071 -4.456) 4.566 26.746 ( 5.463 0.281 3.732) 6.622 28.307 ( -5.317 -1.856 -10.465) 11.884 28.439 ( 0.139 -1.809 10.705) 10.858 ======================= Grid point 347 (170/215) ======================= q-point: ( 0.17 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 2.152 -1.440 -30.655) 30.764 2.671 ( 6.935 7.231 -26.370) 28.209 2.973 ( -8.236 -10.078 21.135) 24.821 3.582 ( -5.187 -7.238 17.211) 19.378 3.780 ( -18.308 -0.813 6.060) 19.302 4.006 ( -10.211 2.008 0.353) 10.413 4.533 ( 6.038 12.466 -28.926) 32.071 4.812 ( -6.135 -0.540 -5.634) 8.347 5.110 ( -2.448 8.183 -11.569) 14.380 5.328 ( -0.790 1.329 -5.164) 5.390 5.643 ( 2.929 -4.314 -14.147) 15.077 5.933 ( -14.567 -2.420 -2.594) 14.992 6.110 ( 6.212 2.876 15.661) 17.092 6.195 ( 4.941 8.130 17.441) 19.867 6.367 ( -3.719 -3.169 -8.288) 9.621 6.611 ( 1.347 2.087 6.279) 6.753 6.905 ( 8.867 -5.626 9.207) 13.966 7.032 ( 3.982 -1.601 4.718) 6.378 7.330 ( 3.064 -1.700 -3.234) 4.769 7.445 ( 3.667 5.387 -0.732) 6.557 7.699 ( 2.705 0.323 3.027) 4.072 7.803 ( 2.854 3.323 4.013) 5.940 9.408 ( -7.350 -10.640 5.157) 13.922 9.647 ( -11.521 -1.531 -6.502) 13.318 9.986 ( 0.746 -9.044 6.946) 11.428 10.504 ( 9.417 -0.626 -0.176) 9.440 10.885 ( -1.542 -4.479 2.941) 5.575 11.294 ( 8.841 6.362 0.421) 10.900 11.558 ( -4.425 2.481 -2.451) 5.634 11.779 ( -0.031 10.260 1.311) 10.343 12.951 ( -1.464 -4.216 -4.397) 6.266 13.019 ( -2.658 -1.551 -0.713) 3.159 13.638 ( -0.587 -4.108 0.819) 4.229 13.880 ( -0.984 1.872 3.261) 3.886 15.803 ( -3.214 -10.724 0.819) 11.225 16.017 ( 3.322 -4.451 0.792) 5.610 16.236 ( 4.191 8.930 2.049) 10.075 16.390 ( 4.428 9.029 2.411) 10.341 17.562 ( -2.019 -5.169 -4.759) 7.311 17.979 ( 0.307 0.394 -1.737) 1.807 24.909 ( -0.169 2.043 -3.012) 3.643 25.079 ( 2.574 0.761 1.952) 3.318 26.113 ( 0.681 2.837 -2.002) 3.538 26.242 ( 0.563 2.781 3.330) 4.374 26.634 ( 3.268 0.747 -4.416) 5.544 26.875 ( 4.762 1.115 3.613) 6.081 28.104 ( -4.196 -3.358 -10.068) 11.413 28.541 ( -2.473 -2.247 9.724) 10.282 ======================= Grid point 348 (171/215) ======================= q-point: ( 0.25 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 26.184 2.860 -9.277) 27.925 2.541 ( 10.124 13.572 -18.479) 25.064 2.980 ( -13.625 -7.240 7.769) 17.275 3.385 ( -17.365 3.950 1.529) 17.874 3.552 ( -18.544 -2.562 1.718) 18.798 4.130 ( 2.793 -1.118 10.746) 11.159 4.366 ( 15.377 3.990 -26.253) 30.685 4.527 ( -17.217 -0.985 -5.458) 18.088 5.005 ( 7.104 8.872 -7.786) 13.777 5.206 ( -1.611 -2.682 -12.127) 12.524 5.542 ( -5.778 0.233 -8.941) 10.648 5.619 ( -13.352 2.573 2.175) 13.770 6.020 ( -6.511 -6.702 -10.091) 13.753 6.372 ( 0.327 1.168 7.195) 7.297 6.568 ( 4.780 5.115 -0.228) 7.005 6.683 ( 6.200 1.117 9.260) 11.200 7.071 ( 3.457 -9.291 -0.044) 9.913 7.192 ( 2.744 -3.003 7.518) 8.548 7.323 ( -2.475 -0.654 3.779) 4.564 7.485 ( 9.118 5.460 -6.188) 12.298 7.840 ( 6.169 0.738 6.149) 8.741 7.978 ( 5.844 2.244 15.230) 16.466 9.153 ( -19.585 -5.969 -7.471) 21.795 9.545 ( -5.177 -7.559 6.580) 11.280 10.098 ( 1.509 -8.250 8.088) 11.651 10.634 ( 7.096 0.990 -0.504) 7.182 10.878 ( -2.343 -7.150 -0.083) 7.524 11.391 ( 3.496 6.186 -8.280) 10.911 11.476 ( 0.285 1.569 2.276) 2.779 11.811 ( -2.500 10.343 6.469) 12.453 12.809 ( -0.591 0.306 -8.872) 8.897 13.040 ( -3.118 1.439 7.997) 8.703 13.649 ( -0.667 -6.262 0.792) 6.347 13.929 ( 1.456 7.653 4.673) 9.085 15.770 ( -0.091 -14.290 -1.539) 14.373 16.054 ( 1.815 -3.973 -1.980) 4.795 16.389 ( 8.083 6.485 6.234) 12.093 16.499 ( 4.830 8.752 3.446) 10.574 17.480 ( -1.447 -7.396 -4.836) 8.954 17.889 ( -3.991 2.650 -6.954) 8.445 24.883 ( 0.862 2.476 -1.847) 3.206 25.135 ( 2.067 0.406 1.059) 2.358 26.115 ( 1.781 4.167 -1.079) 4.658 26.285 ( -0.186 4.468 3.252) 5.529 26.642 ( 4.022 0.861 -4.082) 5.795 26.959 ( 0.443 1.660 2.590) 3.108 27.967 ( 0.955 -3.865 -7.286) 8.303 28.590 ( -4.577 -3.203 7.659) 9.480 ======================= Grid point 349 (172/215) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 14.069 7.648 -2.807) 16.258 2.529 ( 4.849 10.219 -2.826) 11.659 2.826 ( -10.681 -2.507 5.031) 12.070 3.206 ( 2.887 6.902 -14.153) 16.009 3.273 ( -17.045 10.014 3.478) 20.073 4.041 ( -14.772 7.984 -13.240) 21.384 4.234 ( -2.649 -11.026 -0.541) 11.353 4.545 ( 12.456 -2.362 0.694) 12.697 4.941 ( -7.709 -9.064 -3.789) 12.488 5.098 ( 8.706 1.562 -16.657) 18.860 5.382 ( -2.703 7.886 -3.739) 9.137 5.493 ( -1.284 9.499 -0.854) 9.623 5.907 ( 2.873 -13.254 -3.811) 14.087 6.364 ( -1.898 -1.670 -4.062) 4.785 6.632 ( 0.259 7.595 8.838) 11.656 6.841 ( 2.626 -2.015 2.974) 4.449 7.011 ( -3.665 -8.301 -5.093) 10.406 7.204 ( -0.090 -5.562 -5.388) 7.744 7.388 ( -2.287 1.664 7.804) 8.301 7.577 ( 6.495 2.132 -2.187) 7.177 7.984 ( 3.035 0.549 5.382) 6.203 8.282 ( 7.561 -0.884 8.063) 11.089 8.793 ( -14.952 -1.150 1.719) 15.095 9.499 ( -9.216 -6.191 3.606) 11.673 10.222 ( 0.133 -9.205 10.577) 14.022 10.709 ( 2.086 2.314 0.936) 3.253 10.820 ( -0.227 -10.298 -4.512) 11.245 11.281 ( 1.181 0.832 -11.872) 11.960 11.552 ( 2.642 7.250 1.857) 7.936 11.818 ( -6.381 7.714 5.655) 11.498 12.794 ( 5.799 2.948 -1.040) 6.588 13.087 ( -4.816 1.586 10.154) 11.349 13.643 ( 0.036 -4.132 0.212) 4.138 14.009 ( 0.755 10.605 4.181) 11.424 15.766 ( 1.947 -15.726 -1.626) 15.929 16.035 ( 0.715 -3.840 -4.127) 5.683 16.590 ( 7.469 7.224 4.814) 11.452 16.618 ( 4.018 7.064 4.701) 9.389 17.404 ( -0.767 -8.743 -4.323) 9.784 17.732 ( -3.815 3.852 -7.849) 9.539 24.900 ( 2.443 2.345 0.454) 3.416 25.165 ( 0.897 0.166 -0.039) 0.913 26.140 ( 2.318 5.023 -0.311) 5.541 26.308 ( -1.399 6.082 2.390) 6.683 26.665 ( 4.684 0.211 -3.627) 5.928 26.941 ( -4.702 1.107 0.626) 4.871 27.976 ( 7.357 -2.971 -2.675) 8.373 28.573 ( -6.887 -3.496 4.538) 8.958 ======================= Grid point 350 (173/215) ======================= q-point: ( 0.42 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.400 8.676 -0.454) 8.697 2.562 ( -9.052 6.610 9.571) 14.739 2.817 ( 1.742 1.678 0.231) 2.429 3.088 ( 7.616 7.129 -18.176) 20.957 3.202 ( 1.434 14.260 2.697) 14.584 3.745 ( -2.219 12.893 -7.620) 15.139 4.021 ( -16.782 -4.359 -5.970) 18.338 4.578 ( -12.481 3.421 -0.092) 12.942 4.964 ( 8.006 -11.153 -5.020) 14.618 5.029 ( 4.717 -6.488 1.765) 8.213 5.285 ( 7.125 -2.990 -11.588) 13.928 5.584 ( 2.558 5.547 -3.505) 7.043 5.976 ( 12.838 -5.818 -1.696) 14.197 6.336 ( -2.953 -2.572 6.067) 7.221 6.701 ( -1.958 0.289 1.073) 2.251 6.849 ( -4.488 -2.223 6.344) 8.083 6.939 ( 0.829 1.937 -4.307) 4.795 7.126 ( -0.158 -6.089 -5.194) 8.005 7.393 ( -3.008 1.905 1.203) 3.758 7.572 ( -4.287 -1.347 -2.745) 5.266 8.055 ( -1.106 -0.934 4.119) 4.366 8.243 ( -1.508 -3.440 -9.328) 10.056 8.890 ( 6.398 1.333 13.855) 15.319 9.355 ( -11.452 -2.816 1.263) 11.861 10.350 ( -2.064 -10.125 13.340) 16.874 10.730 ( -0.385 -5.398 1.052) 5.513 10.791 ( 3.079 -4.262 -4.303) 6.794 11.157 ( 1.016 -0.808 -12.080) 12.149 11.599 ( 2.431 9.771 0.297) 10.073 11.753 ( -6.578 8.362 1.540) 10.750 12.920 ( 6.949 -0.331 3.518) 7.795 13.115 ( -5.934 -0.437 8.242) 10.165 13.680 ( 2.671 1.630 3.040) 4.362 14.025 ( -2.098 11.355 -0.217) 11.549 15.789 ( 1.279 -14.165 0.851) 14.248 15.985 ( 0.377 -5.640 -5.544) 7.917 16.699 ( -1.358 5.894 6.183) 8.650 16.744 ( 8.006 9.302 -0.776) 12.298 17.373 ( 0.479 -7.310 -0.421) 7.337 17.596 ( -2.186 2.051 -6.909) 7.531 24.966 ( 3.383 1.521 2.490) 4.468 25.159 ( -0.732 0.043 -1.294) 1.487 26.181 ( 2.769 5.531 0.467) 6.203 26.296 ( -2.587 6.556 0.938) 7.110 26.707 ( 5.459 -0.440 -2.787) 6.145 26.848 ( -6.534 0.613 -0.245) 6.568 28.112 ( 10.589 -2.135 0.621) 10.820 28.480 ( -9.215 -2.881 1.474) 9.766 ======================= Grid point 351 (174/215) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.329 5.247 7.245) 8.951 2.482 ( -4.224 5.528 3.227) 7.670 2.793 ( -5.925 9.085 -0.093) 10.847 3.002 ( 12.486 6.714 -16.775) 21.963 3.383 ( 11.205 12.683 5.193) 17.703 3.546 ( -13.375 10.117 -8.809) 18.943 3.979 ( 12.275 4.698 8.333) 15.563 4.238 ( -13.227 7.318 -13.047) 19.968 5.039 ( -6.314 -11.338 6.507) 14.517 5.158 ( 8.416 -8.713 -0.700) 12.134 5.295 ( 4.936 -6.638 -1.964) 8.502 5.434 ( -6.854 -4.312 -9.990) 12.860 6.231 ( 4.066 -0.720 2.969) 5.086 6.279 ( -4.121 -3.590 0.853) 5.532 6.669 ( -4.374 2.794 5.989) 7.925 6.866 ( 3.986 2.903 -6.897) 8.479 6.923 ( -2.732 -1.877 8.331) 8.966 7.115 ( 5.312 -6.011 -4.922) 9.411 7.348 ( -4.505 -3.081 1.588) 5.684 7.465 ( 3.178 1.418 -6.303) 7.200 8.056 ( -5.340 -0.106 4.498) 6.983 8.181 ( 5.484 -2.334 -7.038) 9.223 9.128 ( 4.407 -2.503 7.199) 8.804 9.209 ( -4.701 0.434 -0.353) 4.734 10.461 ( -4.997 -10.958 14.000) 18.468 10.718 ( 5.293 -13.455 -10.072) 17.621 10.814 ( -3.220 2.926 8.289) 9.362 11.031 ( 1.067 -0.165 -11.269) 11.320 11.640 ( -2.241 9.537 2.221) 10.045 11.681 ( 1.702 10.756 -1.969) 11.067 13.065 ( 2.245 -3.899 3.748) 5.856 13.092 ( -1.294 -2.728 1.903) 3.569 13.794 ( 2.695 7.741 7.516) 11.121 13.942 ( -3.073 10.404 -5.577) 12.198 15.810 ( -3.946 -10.490 4.760) 12.176 15.932 ( 2.964 -8.721 -6.498) 11.273 16.706 ( -6.870 7.022 6.661) 11.869 16.842 ( 9.116 8.228 -5.839) 13.597 17.373 ( -6.587 -3.135 5.820) 9.332 17.521 ( 5.186 -2.051 -7.966) 9.724 25.053 ( 2.952 0.637 3.049) 4.291 25.111 ( -2.407 0.145 -2.528) 3.493 26.236 ( 2.062 5.801 1.176) 6.268 26.254 ( -1.997 6.086 -0.546) 6.428 26.732 ( -5.977 -0.136 1.623) 6.195 26.783 ( 5.534 0.099 -3.068) 6.328 28.300 ( 9.660 -2.213 1.768) 10.066 28.326 ( -9.479 -1.884 -0.698) 9.689 ======================= Grid point 352 (175/215) ======================= q-point: (-0.42 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -5.765 7.709 0.873) 9.666 2.633 ( -2.939 6.135 8.343) 10.765 2.773 ( 6.231 10.457 2.302) 12.389 2.962 ( 0.473 7.336 -11.218) 13.413 3.288 ( -1.908 15.366 -6.954) 16.974 3.633 ( 8.003 7.526 4.789) 11.984 4.049 ( 12.247 2.562 -8.519) 15.137 4.363 ( 13.000 3.966 15.166) 20.365 4.913 ( -13.909 -11.583 4.232) 18.589 5.074 ( -16.598 -4.818 -3.500) 17.634 5.220 ( -5.190 -6.861 -5.294) 10.101 5.467 ( 8.945 -3.799 4.748) 10.816 5.999 ( -12.756 -4.124 -0.193) 13.408 6.436 ( 5.224 -4.662 -0.069) 7.002 6.648 ( -3.845 1.095 2.385) 4.655 6.860 ( 0.137 1.592 -1.863) 2.454 6.995 ( 3.877 -5.610 3.771) 7.792 7.117 ( 3.323 -1.725 -8.426) 9.220 7.347 ( 0.823 3.760 4.975) 6.290 7.557 ( 9.107 -1.735 -1.631) 9.414 8.042 ( -0.153 -0.588 5.010) 5.047 8.202 ( 4.981 -1.129 -5.356) 7.401 9.058 ( -6.611 0.179 -2.022) 6.916 9.340 ( 9.832 -2.874 1.495) 10.352 10.503 ( -6.933 -12.340 7.773) 16.148 10.669 ( 3.468 -9.923 -8.715) 13.654 10.854 ( -4.255 0.157 5.983) 7.343 10.959 ( 2.174 2.716 -2.403) 4.228 11.591 ( -3.046 8.985 0.713) 9.514 11.766 ( 7.230 8.953 0.239) 11.510 12.987 ( -6.537 -2.537 -1.828) 7.246 13.208 ( 7.608 -4.223 -0.823) 8.741 13.770 ( -6.186 5.976 -4.117) 9.535 13.967 ( 5.063 12.851 4.475) 14.520 15.761 ( -7.847 -10.642 4.114) 13.848 15.940 ( 3.984 -7.734 -2.383) 9.020 16.657 ( -7.671 8.500 5.096) 12.532 16.881 ( 6.342 6.065 -8.688) 12.349 17.305 ( -9.423 -4.614 6.260) 12.218 17.558 ( 6.726 -1.262 -3.633) 7.748 25.027 ( -3.605 0.658 -3.225) 4.881 25.122 ( 1.579 0.187 2.303) 2.799 26.193 ( -3.156 5.207 -0.694) 6.128 26.301 ( 3.286 6.244 0.472) 7.072 26.650 ( -6.384 0.759 2.359) 6.848 26.860 ( 6.478 -0.698 -1.386) 6.661 28.134 ( -11.249 -1.432 -1.349) 11.420 28.488 ( 10.207 -2.601 0.873) 10.569 ======================= Grid point 353 (176/215) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -13.764 22.284 3.306) 26.400 2.520 ( -18.131 3.780 0.179) 18.521 2.890 ( 2.652 8.321 8.461) 12.160 2.940 ( 11.839 1.151 -1.822) 12.034 3.343 ( 13.980 17.455 -2.537) 22.507 3.844 ( 10.192 4.005 2.928) 11.335 4.202 ( 3.599 -3.275 0.721) 4.919 4.593 ( -9.365 -5.216 8.451) 13.650 4.689 ( -16.512 -10.328 7.731) 20.954 4.908 ( 5.607 -1.603 3.327) 6.714 5.215 ( 8.430 0.145 5.875) 10.276 5.590 ( 4.107 3.154 -5.898) 7.849 5.895 ( -0.881 -9.344 1.478) 9.501 6.399 ( -1.900 -5.290 -7.345) 9.248 6.670 ( -0.251 -2.328 5.340) 5.831 6.853 ( -2.259 0.391 2.036) 3.066 7.041 ( 4.710 -0.470 -8.695) 9.900 7.113 ( 2.437 -5.820 3.410) 7.172 7.436 ( 3.000 5.145 2.373) 6.411 7.565 ( -6.082 0.757 0.080) 6.129 8.131 ( 2.846 -1.849 -7.562) 8.289 8.261 ( 8.148 -0.127 4.601) 9.358 8.933 ( -0.426 1.493 -6.870) 7.044 9.502 ( 7.757 -5.094 1.756) 9.444 10.418 ( -5.028 -11.270 -4.749) 13.223 10.630 ( -4.444 -6.188 2.161) 7.919 10.852 ( 4.159 -1.055 -3.078) 5.281 11.031 ( -0.687 3.276 10.486) 11.007 11.565 ( -1.392 6.493 -0.006) 6.640 11.893 ( 8.697 5.597 -0.600) 10.360 12.834 ( -8.114 1.762 -4.133) 9.275 13.267 ( 4.411 -1.531 -6.603) 8.087 13.658 ( -1.968 -0.845 -1.492) 2.610 14.065 ( 2.932 14.447 -0.141) 14.742 15.694 ( -6.650 -12.045 4.979) 14.632 15.979 ( 2.047 -5.146 0.512) 5.561 16.593 ( -6.058 9.704 2.406) 11.690 16.816 ( 0.259 3.119 -11.884) 12.290 17.269 ( -5.579 -8.760 9.276) 13.925 17.626 ( 3.972 2.002 0.961) 4.551 24.932 ( -3.616 1.625 -2.586) 4.733 25.154 ( -0.032 0.124 1.067) 1.075 26.139 ( -2.766 4.747 -0.353) 5.506 26.344 ( 2.223 5.788 -0.896) 6.264 26.593 ( -4.921 1.603 3.146) 6.057 26.943 ( 4.651 -0.846 0.077) 4.728 27.955 ( -9.265 -1.755 -0.487) 9.443 28.636 ( 8.659 -3.132 -1.362) 9.308 ======================= Grid point 354 (177/215) ======================= q-point: (-0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -29.739 12.835 0.792) 32.400 2.216 ( -25.279 17.146 10.648) 32.348 3.097 ( 13.674 -2.921 -0.212) 13.984 3.224 ( 16.359 -1.936 9.197) 18.867 3.553 ( 2.371 14.171 13.077) 19.428 3.820 ( -12.274 15.590 11.506) 22.937 4.328 ( 10.007 -11.572 -7.733) 17.142 4.510 ( 7.243 -8.654 0.108) 11.285 4.710 ( -6.386 -7.076 17.379) 19.821 5.099 ( 7.118 2.571 0.883) 7.619 5.472 ( 6.724 1.596 -0.897) 6.969 5.581 ( 10.505 1.661 4.477) 11.539 5.956 ( 7.127 -10.414 -2.495) 12.863 6.318 ( -2.839 -2.789 3.078) 5.031 6.684 ( -0.811 3.815 -3.263) 5.085 6.794 ( -4.926 2.227 -1.181) 5.534 7.063 ( 4.151 -6.171 -2.620) 7.885 7.180 ( 0.830 -6.562 3.468) 7.469 7.396 ( -10.245 4.647 0.422) 11.258 7.501 ( 2.059 1.757 -3.746) 4.621 8.004 ( -3.342 1.129 -10.563) 11.137 8.289 ( -2.565 1.614 -11.334) 11.732 9.018 ( 13.685 -0.931 4.545) 14.450 9.606 ( 3.360 -7.108 0.326) 7.869 10.266 ( -4.519 -9.851 -7.248) 13.038 10.564 ( -8.655 -3.540 4.310) 10.297 10.914 ( 6.729 -1.760 -2.876) 7.527 11.175 ( 1.932 4.159 11.686) 12.554 11.526 ( -2.276 2.652 -1.893) 3.975 11.985 ( 6.548 5.414 -7.564) 11.376 12.677 ( -7.074 4.818 2.287) 8.859 13.201 ( -0.578 0.655 -7.469) 7.520 13.667 ( 2.713 -6.295 -0.679) 6.888 14.045 ( -0.057 12.915 -6.165) 14.311 15.687 ( -2.367 -10.892 6.009) 12.662 16.012 ( 0.531 -4.156 1.441) 4.430 16.509 ( -5.476 9.468 -2.717) 11.270 16.622 ( -5.833 1.735 -10.538) 12.169 17.349 ( 0.190 -11.446 9.463) 14.852 17.724 ( 3.192 4.269 7.088) 8.869 24.866 ( -2.233 2.493 -0.347) 3.365 25.148 ( -1.304 0.260 -0.190) 1.343 26.099 ( -2.321 4.366 0.417) 4.963 26.346 ( 0.526 3.967 -2.288) 4.610 26.566 ( -3.453 2.711 3.211) 5.439 26.987 ( 0.257 -0.219 -0.199) 0.392 27.858 ( -4.007 -3.257 3.072) 6.009 28.722 ( 6.670 -2.957 -4.860) 8.767 ======================= Grid point 355 (178/215) ======================= q-point: (-0.17 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -23.968 7.084 14.514) 28.901 2.058 ( -21.277 13.139 27.735) 37.344 3.283 ( 9.344 -5.861 0.797) 11.059 3.545 ( -6.613 8.202 29.414) 31.244 3.792 ( 10.426 9.505 10.436) 17.549 3.907 ( 13.644 0.690 -8.212) 15.940 4.281 ( 3.640 -1.844 -6.642) 7.795 4.670 ( -2.280 -5.415 11.453) 12.872 4.928 ( 14.270 -4.124 4.510) 15.524 5.143 ( 2.812 5.657 4.721) 7.887 5.517 ( -3.239 -7.022 -0.767) 7.771 5.788 ( 7.478 -2.675 5.316) 9.557 6.141 ( 12.063 -1.998 6.112) 13.670 6.331 ( -4.627 -4.189 3.632) 7.221 6.556 ( -6.353 5.706 -11.421) 14.261 6.701 ( 1.308 5.184 -6.356) 8.306 7.008 ( -6.045 -3.560 -3.019) 7.637 7.220 ( 2.264 0.381 -3.814) 4.452 7.264 ( -7.975 0.837 3.140) 8.611 7.473 ( 3.971 -1.436 -7.078) 8.241 7.807 ( -5.678 1.711 -9.381) 11.098 8.055 ( -2.061 3.292 -16.608) 17.057 9.335 ( 11.449 -3.481 10.030) 15.614 9.621 ( 1.086 -6.410 -1.781) 6.741 10.124 ( -2.790 -9.935 -6.036) 11.955 10.460 ( -10.231 -1.661 3.455) 10.925 10.962 ( 4.202 -1.374 -3.969) 5.941 11.288 ( -3.453 5.430 2.641) 6.956 11.503 ( 3.281 -0.487 1.791) 3.769 11.887 ( -2.625 11.719 -10.032) 15.648 12.737 ( 1.796 -2.596 11.867) 12.280 13.110 ( -0.625 0.706 -5.222) 5.307 13.674 ( 0.216 -5.318 -2.529) 5.892 13.964 ( 0.171 6.577 -5.531) 8.595 15.755 ( 2.207 -7.881 4.799) 9.487 16.023 ( -0.802 -4.484 0.335) 4.567 16.330 ( -6.757 4.981 -7.100) 10.995 16.462 ( -4.668 8.503 -3.929) 10.466 17.457 ( 1.978 -9.415 5.819) 11.243 17.881 ( 3.125 1.285 7.887) 8.581 24.856 ( -0.356 2.532 1.932) 3.204 25.113 ( -1.925 0.489 -1.273) 2.359 26.079 ( -1.368 3.560 1.314) 4.034 26.313 ( -0.377 2.161 -3.183) 3.866 26.554 ( -2.750 2.531 3.134) 4.878 26.937 ( -4.411 0.180 -2.207) 4.936 27.913 ( 2.029 -4.340 8.142) 9.447 28.727 ( 3.803 -1.523 -8.263) 9.222 ======================= Grid point 356 (179/215) ======================= q-point: (-0.08 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 11.933 -4.438 38.242) 40.305 2.220 ( -8.068 6.508 38.090) 39.475 3.375 ( 10.803 -13.024 -16.113) 23.366 3.705 ( -7.690 -3.534 -6.931) 10.939 3.787 ( -9.532 14.528 24.878) 30.345 4.143 ( 16.916 5.683 -2.362) 18.001 4.398 ( 10.291 7.396 3.141) 13.057 4.792 ( -1.335 -6.294 13.053) 14.552 5.145 ( 6.702 -3.919 5.169) 9.327 5.329 ( -0.354 2.522 3.906) 4.663 5.424 ( -1.669 1.173 11.770) 11.945 5.953 ( -10.379 -1.113 -1.177) 10.505 6.057 ( -1.322 3.088 -3.211) 4.647 6.347 ( 0.829 -1.143 -6.390) 6.544 6.417 ( 4.483 -1.298 -1.991) 5.074 6.662 ( 0.598 3.218 -6.720) 7.475 6.872 ( -2.582 -4.315 -5.919) 7.766 7.094 ( -0.518 5.336 -13.381) 14.415 7.249 ( -1.492 -3.581 2.479) 4.604 7.449 ( 0.091 3.123 -5.124) 6.001 7.652 ( -3.453 0.280 -1.976) 3.988 7.874 ( 1.227 5.109 -12.838) 13.871 9.515 ( 2.172 -7.629 3.627) 8.722 9.666 ( 0.839 0.492 3.783) 3.906 10.068 ( 4.310 -10.994 -3.128) 12.216 10.334 ( -9.029 -1.689 1.511) 9.309 10.971 ( 3.943 0.326 -4.032) 5.649 11.168 ( -7.813 1.659 -2.970) 8.521 11.618 ( 3.427 3.263 4.080) 6.248 11.766 ( -1.946 10.953 -3.020) 11.527 12.885 ( -0.926 -7.808 8.802) 11.803 13.067 ( 1.398 -1.411 -3.906) 4.382 13.668 ( 2.430 -2.785 0.905) 3.805 13.920 ( -0.003 -0.880 -3.672) 3.776 15.841 ( 1.594 -5.522 3.339) 6.647 15.991 ( -0.925 -3.937 -2.616) 4.817 16.210 ( -1.418 7.444 -1.689) 7.764 16.348 ( -4.007 9.561 -3.543) 10.956 17.571 ( 4.899 -5.750 5.125) 9.129 17.937 ( -3.435 -1.438 0.911) 3.833 24.890 ( 0.764 2.079 2.865) 3.621 25.061 ( -1.846 0.832 -2.182) 2.976 26.092 ( 0.439 2.155 2.112) 3.049 26.263 ( -0.734 1.203 -3.783) 4.037 26.565 ( -0.676 1.252 3.722) 3.984 26.822 ( -5.055 -0.278 -3.474) 6.140 28.085 ( 4.311 -3.689 10.958) 12.340 28.649 ( 0.124 -0.096 -9.802) 9.803 ======================= Grid point 357 (180/215) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.428 -8.998 30.719) 32.013 2.701 ( -2.546 -13.640 -17.048) 21.981 2.803 ( 3.100 2.984 18.060) 18.566 3.354 ( 1.910 -0.187 -24.301) 24.377 4.246 ( -8.365 -5.386 5.141) 11.199 4.335 ( 6.489 -2.650 -2.016) 7.294 4.756 ( -5.718 15.062 19.760) 25.495 4.918 ( 6.495 1.919 1.889) 7.032 5.204 ( -4.178 -7.758 19.987) 21.843 5.387 ( 1.230 14.118 9.650) 17.145 5.640 ( 9.485 -2.624 -6.579) 11.838 5.890 ( -7.413 -6.798 -9.433) 13.789 6.132 ( -1.289 12.691 11.025) 16.860 6.173 ( 0.752 2.096 2.372) 3.253 6.431 ( -3.705 -1.371 -4.896) 6.291 6.534 ( 4.519 2.183 -8.845) 10.170 6.790 ( -4.762 -2.111 -3.706) 6.393 6.879 ( 2.336 -0.196 -11.043) 11.289 7.327 ( -3.971 4.682 5.627) 8.328 7.467 ( 2.908 7.780 -8.788) 12.092 7.759 ( -0.515 6.785 5.568) 8.792 7.923 ( 4.252 7.226 -10.040) 13.080 9.382 ( -6.945 -12.049 9.763) 16.992 9.579 ( 4.242 -8.200 -8.162) 12.323 10.039 ( 12.010 -4.859 2.063) 13.119 10.130 ( -8.631 -2.767 -5.704) 10.709 10.958 ( -12.745 -1.940 3.607) 13.386 11.050 ( 10.439 -1.484 -4.486) 11.459 11.802 ( -4.937 6.903 7.013) 11.009 11.927 ( 3.990 7.975 -5.197) 10.322 12.764 ( -1.037 -9.816 6.542) 11.842 12.898 ( 2.442 -10.344 -6.413) 12.413 13.688 ( 1.518 -2.090 3.847) 4.634 13.783 ( -2.444 -2.414 -5.511) 6.494 15.827 ( -0.633 -0.353 6.493) 6.533 15.945 ( -1.369 1.689 -4.817) 5.285 16.367 ( -1.048 6.820 2.415) 7.311 16.441 ( 1.830 7.240 -4.710) 8.829 17.657 ( 8.249 -4.462 6.527) 11.426 17.760 ( -7.246 -4.094 -3.363) 8.976 24.987 ( 0.979 2.312 2.648) 3.649 25.039 ( -0.770 1.950 -2.430) 3.209 26.163 ( 0.529 1.282 2.272) 2.662 26.223 ( -0.625 0.689 -3.473) 3.596 26.631 ( 2.487 -0.037 3.286) 4.122 26.703 ( -2.218 -0.773 -3.525) 4.235 28.228 ( 2.581 -2.289 13.361) 13.799 28.493 ( -2.547 -0.610 -12.543) 12.813 ======================= Grid point 358 (181/215) ======================= q-point: ( 0.08 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -3.635 -8.794 -27.071) 28.694 2.458 ( -0.870 -10.953 29.395) 31.382 3.035 ( 1.678 3.749 -22.366) 22.740 3.185 ( 5.336 -0.120 14.514) 15.464 4.059 ( -20.292 -4.258 7.953) 22.207 4.252 ( -11.766 1.641 -4.165) 12.589 4.820 ( -4.354 -3.853 0.380) 5.826 4.998 ( 3.926 2.734 -7.351) 8.771 5.305 ( 0.545 0.441 8.314) 8.344 5.506 ( 2.553 16.156 -7.932) 18.178 5.602 ( 4.352 -3.826 -15.074) 16.150 5.872 ( 7.456 -0.494 15.506) 17.212 6.185 ( -1.886 0.582 -1.157) 2.288 6.214 ( -2.524 7.277 -7.339) 10.639 6.409 ( 0.577 3.544 12.562) 13.065 6.502 ( 2.951 2.229 -3.768) 5.280 6.682 ( -5.269 2.366 6.729) 8.868 6.888 ( 5.366 -5.611 -2.112) 8.046 7.302 ( -3.898 4.167 2.556) 6.252 7.487 ( 5.855 5.925 -0.226) 8.333 7.781 ( -3.167 6.805 2.142) 7.806 7.885 ( 4.084 6.692 -7.405) 10.784 9.277 ( -12.918 -11.037 5.457) 17.845 9.659 ( 6.954 -10.561 0.027) 12.644 9.869 ( -11.010 -5.077 -7.534) 14.275 10.275 ( 12.045 -3.140 2.043) 12.614 10.843 ( -8.557 -2.945 6.049) 10.885 11.193 ( 12.046 0.175 -2.858) 12.381 11.754 ( -7.258 5.994 2.977) 9.872 11.960 ( 4.156 9.004 -1.967) 10.110 12.822 ( 0.897 -9.959 1.572) 10.122 12.896 ( 5.477 -8.889 -3.569) 11.034 13.637 ( -5.532 -2.220 -1.424) 6.129 13.810 ( 3.817 -1.357 3.089) 5.094 15.759 ( -9.892 -2.500 0.300) 10.207 15.957 ( 2.207 2.508 2.247) 4.026 16.363 ( 0.033 7.450 0.330) 7.457 16.463 ( 3.781 6.116 -0.777) 7.232 17.585 ( -5.633 -4.684 -5.353) 9.073 17.868 ( 8.187 -3.169 3.104) 9.311 24.995 ( -0.635 2.405 -2.098) 3.254 25.044 ( 2.054 1.760 1.747) 3.220 26.177 ( 0.238 1.766 -1.363) 2.243 26.223 ( 2.306 1.000 1.791) 3.086 26.656 ( 1.667 0.367 -3.562) 3.949 26.745 ( 6.496 -0.456 3.197) 7.254 28.271 ( -5.961 -1.430 -12.268) 13.714 28.396 ( -1.033 -2.151 12.040) 12.274 ======================= Grid point 359 (182/215) ======================= q-point: ( 0.17 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 9.437 8.029 -19.013) 22.694 2.755 ( -1.659 -3.023 17.391) 17.729 2.811 ( 8.971 0.467 -18.860) 20.891 3.374 ( -4.880 -8.894 10.596) 14.670 3.736 ( -23.960 -3.887 -2.881) 24.444 4.132 ( -5.031 5.134 13.081) 14.926 4.661 ( -6.580 -2.739 -11.312) 13.370 4.879 ( -3.885 4.860 -10.700) 12.377 5.263 ( -0.616 7.920 -20.061) 21.577 5.367 ( 0.863 2.843 -6.663) 7.295 5.606 ( 7.684 1.364 -12.097) 14.396 5.872 ( -6.500 -3.249 -9.679) 12.104 6.122 ( -7.633 -2.836 4.572) 9.338 6.367 ( 2.749 3.982 14.967) 15.729 6.417 ( 3.087 8.859 -2.522) 9.714 6.575 ( 2.247 -1.143 8.233) 8.610 6.852 ( 5.875 2.465 8.942) 10.980 6.940 ( 0.845 -6.605 4.776) 8.194 7.300 ( 0.473 1.581 1.695) 2.366 7.611 ( 6.758 7.739 -0.475) 10.285 7.731 ( -1.468 2.886 0.474) 3.273 7.896 ( 1.621 6.427 3.787) 7.634 9.172 ( -9.236 -12.246 5.455) 16.280 9.542 ( -16.629 -7.746 -1.161) 18.381 9.810 ( 7.828 -9.282 -2.215) 12.342 10.467 ( 9.753 -2.263 1.001) 10.062 10.816 ( -4.651 -3.184 5.704) 8.019 11.328 ( 7.131 -1.528 -2.408) 7.680 11.670 ( -4.006 6.733 -0.418) 7.846 12.000 ( 0.758 10.371 1.949) 10.579 12.820 ( 3.182 -8.000 -5.698) 10.325 12.971 ( 2.399 -3.285 3.827) 5.585 13.563 ( -1.993 -2.797 -0.641) 3.494 13.920 ( 3.605 1.823 6.089) 7.307 15.604 ( -9.172 -8.677 0.000) 12.626 16.003 ( 0.648 2.963 1.272) 3.289 16.396 ( 4.261 6.840 -0.093) 8.059 16.538 ( 3.953 5.445 3.268) 7.480 17.454 ( -1.753 -4.924 -7.246) 8.935 17.967 ( 2.497 -1.747 -1.430) 3.366 24.962 ( 0.037 3.018 -2.301) 3.795 25.099 ( 2.208 1.141 1.570) 2.939 26.182 ( 2.245 3.646 -0.992) 4.395 26.292 ( 2.655 1.713 2.834) 4.244 26.661 ( 3.642 1.805 -3.283) 5.225 26.895 ( 7.032 0.514 2.863) 7.610 28.033 ( -5.354 -3.049 -11.270) 12.844 28.487 ( -4.400 -2.858 10.558) 11.790 ======================= Grid point 360 (183/215) ======================= q-point: ( 0.25 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 23.992 15.846 -2.746) 28.883 2.719 ( 6.139 2.633 -13.883) 15.406 2.881 ( -10.199 -0.583 11.069) 15.062 3.316 ( -7.242 -10.996 2.583) 13.418 3.491 ( -4.548 0.236 3.800) 5.931 4.207 ( -9.936 4.765 5.858) 12.480 4.431 ( 0.278 0.276 -9.512) 9.520 4.615 ( -9.122 7.851 -13.507) 18.091 5.002 ( -1.397 -1.392 -18.200) 18.306 5.299 ( 2.616 4.296 -12.319) 13.306 5.591 ( 4.931 5.762 -8.071) 11.075 5.685 ( -5.829 5.072 1.939) 7.966 5.903 ( -11.347 -5.749 -11.394) 17.077 6.368 ( 0.167 1.202 -4.530) 4.690 6.627 ( 2.614 -8.945 8.667) 12.727 6.721 ( 3.428 6.717 6.487) 9.947 6.895 ( -0.551 -4.498 0.315) 4.542 7.077 ( 2.704 -4.442 3.308) 6.164 7.341 ( -1.675 2.334 7.396) 7.934 7.598 ( 4.328 3.975 -8.107) 10.012 7.852 ( 4.447 0.116 7.637) 8.838 8.065 ( 5.635 6.559 13.812) 16.296 9.017 ( -16.320 -6.679 -0.074) 17.634 9.358 ( -8.221 -10.109 5.628) 14.193 9.907 ( 5.358 -11.155 0.918) 12.409 10.601 ( 7.410 -3.263 -1.491) 8.233 10.797 ( -5.821 -2.158 4.046) 7.410 11.309 ( -1.439 -6.433 -6.916) 9.555 11.668 ( 2.916 9.078 1.082) 9.596 12.013 ( -2.996 8.920 2.483) 9.732 12.821 ( 4.188 0.720 -3.280) 5.368 13.048 ( -0.616 -0.573 6.837) 6.888 13.550 ( 1.000 -2.969 -0.296) 3.147 14.077 ( 4.240 6.171 9.322) 11.957 15.487 ( -5.529 -13.205 0.304) 14.319 16.005 ( -0.035 0.136 -1.651) 1.657 16.509 ( 7.751 5.110 3.113) 9.792 16.655 ( 5.159 6.225 3.832) 8.947 17.347 ( -0.439 -5.049 -8.176) 9.620 17.919 ( -2.260 0.087 -6.015) 6.426 24.946 ( 0.919 3.467 -1.497) 3.887 25.146 ( 1.768 0.700 0.853) 2.084 26.218 ( 3.128 5.434 -0.516) 6.292 26.369 ( 2.857 3.069 2.671) 4.971 26.680 ( 3.034 2.918 -2.794) 5.053 26.998 ( 2.055 1.930 0.854) 2.946 27.877 ( 0.732 -4.396 -6.956) 8.261 28.513 ( -6.111 -3.997 8.083) 10.893 ======================= Grid point 361 (184/215) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -0.752 3.568 0.924) 3.762 2.652 ( 3.737 4.590 -0.151) 5.921 2.895 ( 0.702 7.805 7.427) 10.797 3.274 ( 2.679 1.259 -7.082) 7.676 3.510 ( -2.845 9.596 4.867) 11.130 4.036 ( -6.084 -4.607 -2.228) 7.950 4.257 ( -10.216 8.724 -9.709) 16.575 4.530 ( 9.427 1.400 -3.041) 10.004 4.808 ( -2.611 -1.678 -8.258) 8.822 5.113 ( -2.543 -1.361 -14.025) 14.319 5.487 ( -7.981 0.947 -13.979) 16.125 5.679 ( -0.354 1.837 -1.269) 2.260 5.782 ( 13.109 9.009 -0.778) 15.925 6.249 ( -3.195 -6.121 -7.878) 10.476 6.684 ( -0.872 -10.193 -2.583) 10.551 6.818 ( -3.266 5.301 11.939) 13.465 6.905 ( 2.777 -1.187 -0.741) 3.109 7.081 ( 1.405 -5.004 -5.430) 7.517 7.413 ( -3.413 0.194 8.763) 9.406 7.600 ( 2.157 1.035 -2.142) 3.212 7.977 ( 2.157 -1.430 4.019) 4.780 8.261 ( -0.375 -1.005 3.842) 3.989 8.800 ( -9.407 1.765 7.327) 12.054 9.328 ( -6.033 -10.153 4.976) 12.816 10.008 ( 3.052 -12.033 5.082) 13.414 10.632 ( -0.536 -6.702 -4.560) 8.124 10.761 ( -1.718 0.830 3.416) 3.913 11.190 ( -0.673 -6.964 -8.805) 11.247 11.736 ( 2.268 7.460 2.190) 8.099 11.972 ( -3.228 7.661 -0.200) 8.316 12.863 ( 3.046 3.169 0.093) 4.396 13.099 ( -3.922 -0.612 6.641) 7.736 13.609 ( 5.485 1.731 2.879) 6.432 14.238 ( 0.934 10.800 9.059) 14.127 15.446 ( -0.811 -15.228 1.534) 15.327 15.964 ( -0.894 -2.033 -4.043) 4.613 16.688 ( 6.668 3.854 5.886) 9.693 16.785 ( 6.836 7.021 2.315) 10.069 17.253 ( 0.807 -5.304 -7.279) 9.043 17.780 ( -4.133 0.911 -7.849) 8.917 24.960 ( 1.979 3.275 -0.003) 3.826 25.170 ( 0.685 0.373 -0.144) 0.793 26.265 ( 3.434 6.713 -0.339) 7.548 26.436 ( 1.709 5.318 1.829) 5.878 26.688 ( 2.153 2.513 -2.466) 4.127 26.969 ( -4.104 1.413 -1.984) 4.772 27.905 ( 7.866 -3.609 -1.000) 8.712 28.487 ( -7.084 -4.526 5.098) 9.832 ======================= Grid point 362 (185/215) ======================= q-point: ( 0.42 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.853 -0.065 -0.442) 0.963 2.636 ( -9.711 1.206 4.758) 10.881 2.938 ( -2.868 7.048 0.183) 7.611 3.281 ( 5.587 8.902 -9.156) 13.938 3.556 ( 3.729 18.286 7.625) 20.160 3.919 ( -6.881 -3.191 -0.681) 7.615 4.075 ( 0.897 17.126 -8.068) 18.952 4.620 ( -0.192 -5.773 2.269) 6.206 4.745 ( 0.704 -0.325 -4.161) 4.233 4.992 ( 1.691 -0.553 -2.795) 3.313 5.197 ( -0.487 -3.448 -17.642) 17.982 5.591 ( -4.790 -4.344 -11.211) 12.943 6.009 ( 15.769 8.567 -1.329) 17.995 6.229 ( 2.808 -5.004 6.715) 8.833 6.604 ( -1.685 -8.746 -4.544) 9.999 6.856 ( -5.579 0.036 6.461) 8.537 6.978 ( 4.409 1.122 1.291) 4.729 7.028 ( 0.012 -1.318 -5.417) 5.575 7.389 ( -9.004 -2.445 3.020) 9.806 7.555 ( -5.032 0.571 -1.420) 5.260 8.023 ( 0.880 -2.104 1.562) 2.765 8.188 ( -2.420 -1.310 -3.737) 4.641 8.899 ( 1.470 -1.573 11.758) 11.953 9.262 ( -5.736 -6.497 0.134) 8.668 10.126 ( 0.637 -11.636 9.604) 15.101 10.538 ( -1.427 -8.797 -5.895) 10.686 10.802 ( 0.205 0.440 3.734) 3.765 11.085 ( 0.473 -5.121 -8.734) 10.135 11.785 ( 0.390 6.456 2.800) 7.048 11.921 ( -1.211 8.412 -2.294) 8.803 12.917 ( 2.685 -0.095 1.605) 3.130 13.076 ( -5.334 -3.073 2.641) 6.698 13.788 ( 7.853 8.848 8.198) 14.393 14.285 ( -4.434 12.935 2.938) 13.986 15.497 ( 2.228 -13.576 4.755) 14.556 15.880 ( -2.005 -3.606 -6.156) 7.411 16.813 ( -0.125 5.129 6.269) 8.101 16.925 ( 8.422 7.638 -0.790) 11.397 17.225 ( 3.431 -6.561 -2.046) 7.681 17.616 ( -4.360 -0.052 -8.134) 9.229 25.007 ( 2.646 2.301 1.501) 3.815 25.161 ( -0.781 0.219 -1.252) 1.492 26.319 ( 3.643 7.449 0.115) 8.293 26.451 ( -1.604 7.730 0.265) 7.899 26.704 ( 3.321 0.524 -1.566) 3.709 26.861 ( -5.247 0.546 -2.329) 5.767 28.061 ( 10.162 -2.574 1.979) 10.668 28.409 ( -8.363 -3.873 2.139) 9.462 ======================= Grid point 363 (186/215) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -13.799 -0.238 4.332) 14.465 2.527 ( 10.713 0.217 -0.789) 10.744 2.997 ( 5.666 6.360 1.924) 8.733 3.131 ( -0.866 4.078 -10.593) 11.384 3.728 ( -2.890 16.483 3.049) 17.010 3.821 ( 1.963 15.807 -1.889) 16.040 4.145 ( 8.149 12.185 8.998) 17.200 4.439 ( -8.722 11.097 -13.313) 19.402 4.800 ( -0.394 -10.775 5.349) 12.036 4.947 ( 0.315 -7.922 -7.083) 10.631 5.168 ( 6.934 -5.119 1.033) 8.680 5.333 ( -7.385 -5.144 -11.775) 14.820 6.219 ( -0.010 0.239 3.212) 3.220 6.276 ( 0.179 4.245 -1.602) 4.541 6.628 ( 2.204 -8.404 7.469) 11.457 6.805 ( -3.197 -6.716 -3.880) 8.390 6.914 ( -9.493 -0.189 3.337) 10.064 7.065 ( 12.148 2.299 -7.745) 14.589 7.304 ( -7.138 -1.300 8.992) 11.554 7.488 ( 4.370 1.218 -6.698) 8.090 8.057 ( -1.738 0.181 2.788) 3.290 8.143 ( 3.713 -0.751 -4.777) 6.097 9.029 ( -2.702 -8.001 9.849) 12.974 9.188 ( 1.528 -3.523 -4.586) 5.981 10.241 ( -2.727 -10.118 11.608) 15.639 10.465 ( 3.790 -11.146 -9.361) 15.041 10.841 ( -3.302 -0.194 6.671) 7.446 11.002 ( 2.253 -2.528 -8.393) 9.051 11.812 ( -2.768 6.689 3.908) 8.227 11.887 ( 2.179 8.694 -3.596) 9.657 12.974 ( -2.073 -4.539 3.484) 6.086 13.031 ( 2.144 -2.828 -1.759) 3.961 14.015 ( 4.424 12.963 10.795) 17.439 14.185 ( -4.770 12.485 -4.693) 14.165 15.600 ( -0.718 -9.064 7.972) 12.092 15.768 ( -0.211 -6.218 -7.862) 10.026 16.843 ( -5.858 5.934 7.116) 10.962 17.003 ( 7.700 6.995 -7.116) 12.603 17.290 ( -2.482 -4.680 6.859) 8.667 17.471 ( 1.831 -2.659 -9.695) 10.219 25.071 ( 2.409 1.150 2.229) 3.477 25.117 ( -2.156 0.442 -2.146) 3.074 26.381 ( 2.506 7.782 1.017) 8.238 26.402 ( -2.681 7.781 -1.025) 8.294 26.731 ( -3.061 0.174 1.595) 3.456 26.785 ( 2.967 0.117 -3.429) 4.536 28.247 ( 7.802 -2.737 2.539) 8.650 28.278 ( -7.592 -2.570 -0.444) 8.028 ======================= Grid point 364 (187/215) ======================= q-point: (-0.42 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -3.135 -0.915 4.731) 5.749 2.702 ( 7.640 -0.395 -1.224) 7.747 2.994 ( 4.506 6.101 -3.787) 8.478 3.165 ( 2.519 7.802 -1.152) 8.279 3.664 ( -2.274 20.916 0.636) 21.049 3.845 ( 1.386 10.771 -0.378) 10.867 4.175 ( 1.583 9.192 -12.072) 15.256 4.468 ( 2.867 6.201 15.059) 16.536 4.693 ( -4.603 -6.983 -0.875) 8.409 4.955 ( -5.170 -6.781 0.844) 8.569 5.094 ( -5.696 -2.286 -6.071) 8.633 5.356 ( 7.795 -6.125 8.702) 13.191 5.997 ( -15.602 5.387 0.966) 16.534 6.353 ( 1.373 -2.695 -1.888) 3.565 6.565 ( -6.518 -9.262 -1.584) 11.435 6.815 ( -0.812 -7.797 2.443) 8.211 6.915 ( 3.175 0.806 4.593) 5.641 7.144 ( 5.061 2.900 -6.721) 8.899 7.364 ( 3.259 -1.948 6.599) 7.614 7.556 ( 9.431 2.557 -3.378) 10.339 8.047 ( 2.029 1.080 -0.084) 2.300 8.175 ( 4.499 -1.063 -3.109) 5.571 9.026 ( -5.475 -4.523 2.598) 7.562 9.233 ( 7.346 -8.151 -1.702) 11.104 10.278 ( -4.333 -9.540 2.685) 10.817 10.457 ( 6.511 -10.022 -4.850) 12.898 10.842 ( -5.510 -1.289 4.995) 7.548 10.976 ( 3.268 -1.159 -2.888) 4.513 11.786 ( -4.183 8.989 2.205) 10.157 11.913 ( 4.033 5.241 -1.311) 6.741 12.928 ( -4.302 -3.154 0.724) 5.384 13.114 ( 7.681 -4.305 -1.223) 8.890 13.941 ( -11.248 10.207 -4.651) 15.885 14.266 ( 8.113 15.033 4.149) 17.579 15.564 ( -8.026 -7.795 0.286) 11.192 15.782 ( 5.221 -6.586 1.142) 8.482 16.812 ( -8.001 5.849 6.772) 12.003 17.001 ( 4.055 5.111 -9.915) 11.869 17.214 ( -9.972 -3.413 2.442) 10.820 17.516 ( 7.851 -2.878 -0.599) 8.384 25.047 ( -3.026 1.221 -2.321) 4.004 25.128 ( 1.448 0.473 1.920) 2.451 26.326 ( -4.089 7.275 -0.597) 8.366 26.444 ( 2.158 6.915 0.921) 7.302 26.676 ( -3.896 1.914 1.196) 4.503 26.842 ( 5.313 -0.984 -0.767) 5.458 28.100 ( -10.642 -1.662 -1.592) 10.888 28.423 ( 9.246 -3.489 0.891) 9.922 ======================= Grid point 365 (188/215) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 3.453 -0.045 4.016) 5.297 2.675 ( -9.294 6.974 -2.397) 11.864 3.023 ( -0.868 4.406 -2.897) 5.344 3.117 ( -1.861 12.012 1.273) 12.222 3.669 ( 9.090 12.848 -6.874) 17.174 3.963 ( 4.696 1.372 7.466) 8.927 4.144 ( 6.061 2.428 -4.717) 8.055 4.465 ( -11.930 -2.363 7.919) 14.513 4.642 ( -13.970 6.075 2.538) 15.444 4.897 ( 4.476 0.081 7.958) 9.130 5.185 ( 9.832 -2.287 12.053) 15.721 5.556 ( 3.303 -4.624 5.013) 7.578 5.857 ( -3.004 5.563 -0.242) 6.327 6.256 ( -1.683 -6.585 -7.596) 10.193 6.562 ( 0.256 -7.888 6.575) 10.272 6.827 ( -2.009 -3.460 3.987) 5.648 6.995 ( 1.734 -4.116 0.235) 4.473 7.088 ( 0.735 3.457 -7.037) 7.875 7.486 ( 2.758 -1.806 2.317) 4.030 7.595 ( -0.593 4.459 -1.741) 4.823 8.100 ( 4.054 -1.561 -7.522) 8.687 8.258 ( 9.892 0.108 1.773) 10.050 8.958 ( -0.342 0.095 -4.328) 4.342 9.334 ( 4.809 -11.663 1.354) 12.688 10.187 ( -1.564 -11.072 -8.962) 14.330 10.525 ( 1.103 -4.160 3.669) 5.656 10.820 ( 0.447 -1.839 0.154) 1.899 11.025 ( 1.087 -3.195 4.998) 6.030 11.741 ( -4.322 9.089 1.218) 10.138 11.976 ( 5.177 2.731 -0.250) 5.859 12.869 ( -3.833 0.847 -0.191) 3.930 13.207 ( 6.496 -3.706 -3.609) 8.304 13.703 ( -9.753 5.357 -5.369) 12.355 14.379 ( 3.757 14.476 -2.981) 15.250 15.456 ( -4.642 -10.711 0.634) 11.691 15.879 ( 3.032 -3.432 3.277) 5.631 16.762 ( -7.058 4.737 4.692) 9.709 16.865 ( -5.075 2.375 -10.628) 12.014 17.141 ( -3.132 -2.478 3.527) 5.328 17.638 ( 4.522 -0.750 4.470) 6.403 24.975 ( -2.876 2.418 -1.511) 4.050 25.158 ( 0.111 0.371 1.012) 1.084 26.261 ( -3.609 6.708 -0.057) 7.617 26.456 ( -1.627 4.146 0.126) 4.456 26.653 ( -0.828 4.439 0.862) 4.597 26.922 ( 3.710 -1.200 1.920) 4.346 27.914 ( -9.915 -2.005 -1.562) 10.236 28.560 ( 8.588 -4.003 -1.666) 9.620 ======================= Grid point 366 (189/215) ======================= q-point: (-0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -25.605 20.129 -7.527) 33.428 2.452 ( -22.300 4.479 10.195) 24.925 3.050 ( 14.882 -3.100 -3.301) 15.556 3.221 ( 9.498 2.923 3.081) 10.405 3.753 ( 7.845 -1.050 -8.726) 11.781 4.013 ( -7.591 -10.362 12.310) 17.792 4.229 ( -2.436 19.164 13.248) 23.424 4.503 ( 12.829 5.212 -1.098) 13.891 4.631 ( -0.709 1.249 14.058) 14.132 5.083 ( 4.496 -0.263 8.619) 9.725 5.503 ( -3.058 2.295 5.621) 6.798 5.551 ( 4.930 -5.138 7.577) 10.398 5.889 ( 11.032 3.211 -5.112) 12.576 6.218 ( -0.768 -4.901 4.033) 6.393 6.663 ( 1.158 -8.136 5.802) 10.060 6.823 ( -3.638 0.226 0.565) 3.689 6.960 ( 2.112 -3.888 -6.646) 7.984 7.067 ( 1.110 -1.446 -0.377) 1.862 7.468 ( -6.781 0.178 2.618) 7.271 7.560 ( 2.581 6.932 -7.356) 10.431 8.010 ( -1.646 -1.301 -8.730) 8.978 8.336 ( 1.539 2.694 -9.796) 10.276 9.007 ( 11.299 -0.207 0.460) 11.310 9.404 ( 2.630 -12.412 0.951) 12.723 10.036 ( -1.863 -12.278 -11.103) 16.659 10.531 ( -6.645 -0.197 4.811) 8.206 10.874 ( 6.620 -2.201 -2.861) 7.540 11.140 ( 3.154 -5.781 8.967) 11.126 11.673 ( -5.392 9.343 0.485) 10.798 12.064 ( 6.331 2.280 -1.455) 6.884 12.787 ( -6.570 4.617 -0.060) 8.030 13.188 ( -1.443 -1.147 -6.322) 6.585 13.568 ( -1.176 -2.847 -1.886) 3.612 14.296 ( -2.834 9.984 -11.027) 15.143 15.461 ( 2.377 -10.979 3.041) 11.638 15.950 ( 1.542 -0.672 2.829) 3.291 16.618 ( -9.027 0.676 -7.170) 11.548 16.715 ( -4.275 7.228 -1.030) 8.460 17.184 ( 0.108 -4.196 6.992) 8.155 17.766 ( 2.454 0.174 7.696) 8.080 24.928 ( -1.851 3.337 0.109) 3.818 25.156 ( -1.040 0.625 -0.107) 1.218 26.209 ( -3.103 6.026 0.250) 6.782 26.410 ( -3.027 2.025 -0.913) 3.755 26.646 ( -1.471 4.580 0.293) 4.819 26.983 ( -0.201 -0.156 2.211) 2.226 27.783 ( -5.656 -3.712 2.105) 7.085 28.652 ( 8.117 -3.547 -5.140) 10.241 ======================= Grid point 367 (190/215) ======================= q-point: (-0.17 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -21.927 21.610 2.989) 30.931 2.269 ( -21.588 8.771 23.665) 33.212 3.188 ( 10.283 -4.253 -14.623) 18.376 3.550 ( 21.536 -9.335 8.086) 24.826 3.666 ( 3.976 -7.378 -11.083) 13.895 4.170 ( -6.707 8.937 22.887) 25.469 4.347 ( 0.277 1.631 12.162) 12.274 4.676 ( 6.871 4.972 0.890) 8.528 4.889 ( 8.904 6.984 12.666) 16.985 5.234 ( 4.086 6.432 8.489) 11.407 5.409 ( -6.332 -3.143 3.715) 7.986 5.717 ( 0.486 -3.186 5.240) 6.152 6.089 ( 11.019 -3.956 3.480) 12.214 6.277 ( -1.449 0.082 8.236) 8.363 6.666 ( -2.818 -6.711 -5.302) 9.005 6.713 ( -2.904 3.922 -7.415) 8.877 6.947 ( 2.426 -2.817 -4.821) 6.088 7.078 ( -0.059 -3.918 -0.959) 4.034 7.400 ( -4.437 1.815 -0.255) 4.800 7.503 ( 2.087 10.184 -3.832) 11.079 7.860 ( -3.587 1.454 -9.037) 9.831 8.153 ( -0.573 6.640 -16.698) 17.979 9.215 ( 8.120 -8.270 2.054) 11.771 9.486 ( 7.004 -6.632 3.456) 10.246 9.886 ( -1.115 -13.156 -9.428) 16.224 10.453 ( -8.735 0.668 2.967) 9.249 10.920 ( 4.951 -2.748 -4.317) 7.120 11.269 ( -0.944 -5.031 3.844) 6.401 11.625 ( -0.827 9.458 3.221) 10.025 12.089 ( 0.971 6.904 -5.850) 9.101 12.696 ( -6.447 -1.203 4.978) 8.233 13.071 ( -3.830 -3.676 -4.784) 7.146 13.571 ( 2.588 -4.377 -1.372) 5.267 14.089 ( -5.038 4.532 -10.732) 12.693 15.577 ( 6.715 -9.429 2.968) 11.951 15.998 ( 1.419 2.714 1.206) 3.292 16.426 ( -6.064 4.386 -3.631) 8.318 16.622 ( -4.006 6.560 -3.670) 8.518 17.295 ( 2.360 -5.730 8.033) 10.145 17.880 ( -0.135 -1.383 6.818) 6.958 24.920 ( -0.575 3.412 1.636) 3.827 25.127 ( -1.626 0.992 -1.092) 2.196 26.168 ( -2.552 4.802 0.392) 5.452 26.348 ( -2.488 1.093 -2.101) 3.435 26.614 ( -3.058 2.912 0.899) 4.317 26.939 ( -5.912 -0.175 -1.148) 6.025 27.820 ( 1.684 -4.197 9.093) 10.156 28.687 ( 6.433 -2.214 -8.765) 11.095 ======================= Grid point 368 (191/215) ======================= q-point: (-0.08 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -3.472 5.449 22.345) 23.261 2.399 ( -4.645 11.447 31.945) 34.250 3.045 ( 3.097 -16.026 -25.072) 29.917 3.550 ( 3.114 -5.434 -14.880) 16.144 4.046 ( 14.401 -2.283 14.999) 20.918 4.255 ( 5.098 6.747 -1.103) 8.528 4.592 ( 2.093 -8.590 22.803) 24.457 4.733 ( -3.482 13.586 8.509) 16.404 5.097 ( -1.741 6.410 10.750) 12.636 5.372 ( -4.059 3.900 2.765) 6.272 5.466 ( 8.572 0.585 10.037) 13.212 5.811 ( 0.432 -7.687 13.776) 15.781 6.150 ( -4.658 1.211 -0.178) 4.816 6.357 ( -3.395 1.704 -0.952) 3.916 6.480 ( 0.773 1.873 -11.634) 11.809 6.595 ( -1.570 -2.526 -6.732) 7.359 6.887 ( -0.143 1.728 -7.710) 7.903 7.013 ( -0.483 -3.567 -8.835) 9.540 7.326 ( -1.075 4.168 -1.434) 4.537 7.540 ( 0.730 9.902 -1.801) 10.091 7.725 ( -1.587 4.511 -2.218) 5.272 7.995 ( 3.004 6.987 -12.737) 14.835 9.308 ( 3.399 -12.229 2.244) 12.889 9.644 ( -1.340 -4.547 4.256) 6.371 9.831 ( 11.706 -11.037 -6.585) 17.384 10.322 ( -9.436 0.519 -1.063) 9.510 10.954 ( 6.867 -2.044 -4.650) 8.542 11.162 ( -11.935 -1.840 -0.480) 12.086 11.724 ( 3.630 6.452 5.687) 9.335 11.988 ( -3.155 9.614 -4.889) 11.238 12.710 ( -2.633 -9.166 7.453) 12.103 12.964 ( -2.084 -7.595 -4.925) 9.288 13.611 ( 3.512 -2.563 0.508) 4.377 13.913 ( -4.083 0.147 -6.921) 8.036 15.717 ( 5.483 -6.036 3.826) 9.007 16.009 ( 0.094 4.762 -2.301) 5.290 16.352 ( -0.974 6.434 0.251) 6.512 16.514 ( -3.163 6.490 -4.316) 8.411 17.451 ( 6.049 -5.450 7.443) 11.031 17.888 ( -5.567 -3.397 1.532) 6.699 24.944 ( 0.390 2.936 2.446) 3.841 25.084 ( -1.494 1.409 -1.837) 2.755 26.146 ( -1.104 2.874 1.120) 3.276 26.283 ( -1.673 0.655 -3.207) 3.676 26.591 ( -1.626 1.250 2.391) 3.150 26.810 ( -6.107 -1.043 -2.879) 6.832 28.011 ( 4.476 -3.127 12.814) 13.929 28.638 ( 2.354 -0.937 -11.366) 11.645 ======================= Grid point 369 (192/215) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.687 8.166 18.754) 20.466 2.516 ( -2.175 -0.565 -22.544) 22.656 2.948 ( 0.356 7.246 19.721) 21.013 3.309 ( 2.192 -6.229 -13.365) 14.907 4.118 ( -6.592 -5.099 7.682) 11.334 4.266 ( 6.180 -5.926 -5.276) 10.057 4.722 ( -0.120 -13.411 16.497) 21.261 4.875 ( 2.203 -4.626 1.569) 5.358 5.138 ( -0.471 1.476 6.066) 6.261 5.387 ( 1.301 -13.469 -10.868) 17.356 5.683 ( -0.360 -0.717 8.045) 8.085 5.838 ( 0.923 5.089 -1.513) 5.389 6.141 ( -5.014 1.773 8.583) 10.097 6.356 ( 5.166 -1.918 -6.020) 8.161 6.534 ( -1.961 10.006 8.373) 13.193 6.700 ( -1.081 9.535 -6.510) 11.596 6.747 ( -1.415 7.957 11.412) 13.984 7.077 ( -1.805 18.458 -12.593) 22.418 7.429 ( -2.444 5.644 7.652) 9.818 7.638 ( 0.831 6.409 -10.288) 12.149 7.898 ( -0.754 7.527 6.137) 9.741 8.095 ( 5.029 11.469 -12.395) 17.619 9.075 ( -7.398 -18.634 11.090) 22.911 9.332 ( 7.261 -16.284 -12.302) 21.662 9.964 ( 14.604 -2.857 2.520) 15.092 10.085 ( -11.631 -2.345 -8.340) 14.503 10.928 ( -15.154 -0.406 4.381) 15.780 11.020 ( 12.351 -1.152 -3.832) 12.983 11.913 ( -5.950 3.887 7.128) 10.066 12.042 ( 4.474 3.060 -5.186) 7.502 12.578 ( 1.527 -7.734 3.952) 8.819 12.683 ( -0.387 -9.711 -5.959) 11.400 13.667 ( 3.410 -0.281 3.382) 4.811 13.756 ( -4.308 -0.645 -5.363) 6.909 15.842 ( 5.415 1.513 9.280) 10.850 16.002 ( -7.533 3.368 -6.060) 10.238 16.481 ( -1.123 4.485 2.344) 5.183 16.556 ( 2.835 4.192 -4.985) 7.104 17.571 ( 8.487 -3.753 6.239) 11.182 17.669 ( -7.457 -4.687 -3.065) 9.325 25.027 ( 0.450 1.560 2.681) 3.134 25.081 ( -0.377 2.015 -2.505) 3.237 26.185 ( 0.069 0.941 1.146) 1.485 26.227 ( -0.483 -0.182 -2.902) 2.948 26.629 ( 1.779 -0.094 2.248) 2.869 26.682 ( -1.347 -1.301 -2.768) 3.342 28.197 ( 1.913 -0.813 14.499) 14.648 28.481 ( -1.790 -0.496 -13.271) 13.400 ======================= Grid point 370 (193/215) ======================= q-point: ( 0.08 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 4.034 5.820 -17.384) 18.771 2.385 ( 6.457 4.739 20.442) 21.955 3.130 ( 0.239 3.937 -5.664) 6.902 3.180 ( 2.287 -1.384 -0.465) 2.713 3.964 ( -18.520 -4.343 6.764) 20.190 4.223 ( -7.507 -4.586 -5.860) 10.570 4.670 ( -9.304 -11.494 -1.756) 14.892 4.888 ( 0.876 -12.769 -3.297) 13.217 5.224 ( 5.293 -3.806 2.989) 7.172 5.460 ( 10.610 -5.259 -4.101) 12.532 5.758 ( 0.642 2.217 -2.650) 3.514 5.819 ( 2.857 -1.044 0.758) 3.135 6.219 ( -3.955 -0.933 6.716) 7.849 6.293 ( 1.348 1.666 -7.007) 7.327 6.509 ( -5.701 5.953 0.024) 8.243 6.694 ( 2.003 -2.586 6.088) 6.911 6.862 ( -1.661 24.985 -5.137) 25.561 6.958 ( 1.845 18.292 7.989) 20.046 7.434 ( -5.895 7.590 2.106) 9.838 7.602 ( 3.701 4.717 0.796) 6.048 7.915 ( -4.481 7.141 2.574) 8.815 8.045 ( 4.629 10.006 -8.045) 13.648 9.006 ( -12.211 -16.182 6.683) 21.345 9.374 ( 8.827 -17.991 -6.145) 20.961 9.783 ( -12.731 -3.480 -7.248) 15.058 10.216 ( 11.598 -2.990 3.969) 12.618 10.797 ( -9.620 -1.095 6.595) 11.715 11.185 ( 12.310 -0.719 -3.058) 12.705 11.845 ( -8.391 2.964 3.757) 9.659 12.102 ( 5.931 4.567 -1.699) 7.676 12.608 ( 2.917 -9.365 -2.973) 10.249 12.733 ( 8.224 -7.068 1.827) 10.997 13.615 ( -4.849 -0.308 -2.806) 5.611 13.796 ( 4.853 -0.207 4.353) 6.523 15.733 ( -14.198 -0.416 -4.270) 14.832 16.043 ( 3.610 5.247 6.653) 9.210 16.489 ( 0.543 4.920 0.397) 4.966 16.553 ( 2.017 2.953 -2.004) 4.099 17.493 ( -5.301 -4.155 -5.154) 8.481 17.794 ( 9.388 -3.870 2.821) 10.539 25.042 ( -0.332 2.094 -1.713) 2.725 25.077 ( 1.541 1.399 1.581) 2.613 26.207 ( 1.632 1.153 -0.676) 2.110 26.232 ( 2.668 0.029 1.547) 3.085 26.663 ( 3.092 0.227 -2.819) 4.191 26.727 ( 6.837 -1.206 2.309) 7.317 28.255 ( -6.029 -0.228 -13.367) 14.666 28.361 ( -2.300 -1.252 12.970) 13.232 ======================= Grid point 371 (194/215) ======================= q-point: ( 0.17 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 15.084 13.637 -7.655) 21.728 2.723 ( 6.407 3.326 16.225) 17.758 2.941 ( 2.741 10.068 -18.126) 20.915 3.229 ( -6.628 -7.101 4.651) 10.770 3.656 ( -21.563 -3.427 -2.382) 21.963 4.133 ( -1.933 -3.923 10.087) 10.994 4.492 ( 2.193 -11.890 -16.748) 20.657 4.886 ( 1.681 -7.729 -4.311) 9.008 5.238 ( -10.123 -3.833 -5.998) 12.375 5.459 ( 3.897 2.906 -5.225) 7.137 5.688 ( 3.040 0.853 -10.497) 10.962 5.910 ( 3.850 8.318 0.476) 9.179 6.040 ( -14.428 -2.596 -4.760) 15.413 6.249 ( -6.170 -7.881 4.582) 11.008 6.577 ( 5.491 -2.622 6.074) 8.598 6.718 ( 1.109 11.069 -8.436) 13.961 6.826 ( 3.908 5.229 1.015) 6.607 7.122 ( -0.684 18.764 11.579) 22.060 7.369 ( -2.741 4.554 1.291) 5.470 7.699 ( 3.363 1.881 2.902) 4.824 7.819 ( -5.030 5.442 -3.449) 8.174 8.087 ( 3.151 12.927 5.324) 14.331 8.920 ( -7.641 -13.223 6.373) 16.549 9.337 ( -10.196 -14.331 -1.052) 17.619 9.609 ( 2.703 -8.938 -5.801) 10.993 10.412 ( 7.837 -3.216 2.952) 8.971 10.763 ( -5.024 -1.572 6.218) 8.148 11.276 ( 3.016 -3.236 -4.439) 6.267 11.784 ( -3.168 4.389 2.663) 6.033 12.157 ( 2.035 4.661 -0.500) 5.111 12.670 ( 9.294 -5.948 -2.076) 11.228 12.904 ( 6.735 -2.883 5.296) 9.040 13.533 ( -1.031 -0.293 -2.380) 2.610 13.943 ( 5.232 0.404 7.400) 9.071 15.462 ( -13.894 -5.263 -2.443) 15.057 16.108 ( -2.445 6.425 2.255) 7.235 16.510 ( 3.827 4.539 -1.305) 6.079 16.611 ( 4.220 2.017 3.711) 5.971 17.375 ( -0.755 -2.838 -7.169) 7.747 17.914 ( 4.301 -3.117 -1.395) 5.491 25.018 ( 0.418 2.260 -2.081) 3.100 25.124 ( 1.664 1.302 1.697) 2.710 26.247 ( 3.761 2.625 0.017) 4.587 26.309 ( 3.846 0.230 2.359) 4.517 26.699 ( 5.200 1.849 -2.646) 6.121 26.887 ( 9.068 -1.220 2.324) 9.440 27.995 ( -6.484 -0.757 -12.226) 13.860 28.437 ( -6.038 -1.930 11.124) 12.803 ======================= Grid point 372 (195/215) ======================= q-point: ( 0.25 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 10.296 6.138 -2.310) 12.208 2.811 ( 6.409 9.846 -9.634) 15.194 2.883 ( -7.760 -0.700 7.096) 10.538 3.201 ( 3.108 3.617 5.873) 7.566 3.476 ( 3.337 -2.377 -1.269) 4.289 4.206 ( -5.735 -4.073 -0.358) 7.043 4.388 ( 5.622 -3.458 -6.181) 9.042 4.773 ( -6.087 7.503 -10.270) 14.100 4.930 ( -6.049 -8.832 -12.829) 16.708 5.371 ( -6.132 4.253 -9.156) 11.812 5.591 ( -6.163 -7.537 -9.647) 13.706 5.805 ( -4.386 -1.146 1.875) 4.905 5.915 ( 0.318 11.633 -5.475) 12.861 6.256 ( -1.776 -9.439 5.400) 11.019 6.620 ( 1.046 9.272 -8.876) 12.878 6.717 ( 3.628 -4.792 2.759) 6.613 6.890 ( 1.318 2.944 2.151) 3.877 7.166 ( -1.113 9.517 -0.120) 9.583 7.379 ( -3.436 2.652 6.036) 7.434 7.682 ( -2.471 4.556 -1.802) 5.487 7.832 ( 3.241 -0.370 5.421) 6.327 8.228 ( 2.757 9.105 7.001) 11.812 8.892 ( -8.167 -6.731 6.667) 12.508 9.148 ( -9.597 -11.113 1.445) 14.754 9.647 ( 5.808 -13.701 -1.510) 14.958 10.527 ( 3.391 -3.852 0.889) 5.208 10.763 ( -3.764 -1.085 4.795) 6.192 11.182 ( -3.599 -5.947 -7.707) 10.379 11.802 ( -0.169 4.478 3.284) 5.556 12.150 ( 0.067 4.590 -2.853) 5.404 12.818 ( 8.494 -1.287 0.130) 8.592 13.039 ( 0.377 -0.041 7.129) 7.139 13.547 ( 5.827 2.556 -0.502) 6.383 14.150 ( 6.774 1.001 11.425) 13.320 15.261 ( -9.873 -8.745 0.869) 13.218 16.050 ( -4.334 3.386 -1.277) 5.646 16.601 ( 7.699 4.292 0.892) 8.860 16.743 ( 5.963 2.532 3.889) 7.556 17.285 ( 0.248 -1.297 -7.656) 7.769 17.896 ( -0.727 -2.015 -5.833) 6.214 25.009 ( 1.144 2.482 -1.505) 3.120 25.164 ( 1.261 1.073 0.937) 1.903 26.316 ( 4.469 4.033 0.196) 6.023 26.403 ( 4.772 0.603 1.818) 5.142 26.747 ( 3.978 3.316 -2.147) 5.606 27.021 ( 4.167 0.069 -0.149) 4.170 27.812 ( -0.276 -1.855 -6.859) 7.110 28.443 ( -7.610 -2.742 8.513) 11.744 ======================= Grid point 373 (196/215) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -3.819 -4.371 -2.820) 6.453 2.742 ( -7.186 0.892 2.018) 7.517 3.031 ( 11.083 5.199 -1.821) 12.377 3.352 ( 8.647 7.162 0.880) 11.263 3.624 ( 7.780 2.959 1.186) 8.408 4.016 ( -4.422 2.754 -3.266) 6.149 4.371 ( -6.513 3.609 -2.821) 7.962 4.578 ( 1.067 1.496 -8.545) 8.740 4.841 ( 4.785 1.820 -3.530) 6.219 5.063 ( -12.924 -1.781 -9.797) 16.315 5.384 ( -2.410 -8.648 -12.933) 15.744 5.739 ( -2.388 -2.807 -12.172) 12.717 5.943 ( 2.116 5.500 9.482) 11.164 6.247 ( -0.086 6.578 -2.480) 7.031 6.546 ( 0.096 0.200 -5.804) 5.809 6.792 ( 1.396 -5.551 2.512) 6.251 6.913 ( 3.150 2.244 -1.837) 4.282 7.144 ( -2.464 8.367 1.927) 8.933 7.376 ( -3.789 -2.218 3.417) 5.564 7.660 ( -3.172 4.291 3.672) 6.477 7.938 ( 1.270 -1.020 4.217) 4.521 8.270 ( -2.609 2.738 -0.347) 3.798 8.804 ( -9.379 -3.770 6.207) 11.862 9.108 ( 0.166 -11.604 0.140) 11.606 9.750 ( 3.968 -12.433 5.939) 14.339 10.517 ( -4.242 -4.797 -1.735) 6.635 10.765 ( -1.352 -0.098 3.250) 3.521 11.047 ( -0.707 -6.662 -7.777) 10.265 11.836 ( -1.082 3.142 4.084) 5.265 12.108 ( 0.808 5.332 -4.832) 7.240 12.899 ( 2.831 0.481 -0.860) 2.997 13.070 ( -4.503 -1.953 3.700) 6.147 13.722 ( 11.465 8.620 5.927) 15.520 14.388 ( 3.506 3.251 11.985) 12.904 15.185 ( -3.549 -9.919 4.975) 11.651 15.962 ( -3.559 1.303 -3.107) 4.901 16.757 ( 9.039 3.227 2.219) 9.851 16.879 ( 6.329 2.478 2.672) 7.303 17.202 ( 0.043 -0.148 -6.396) 6.398 17.772 ( -3.678 -1.499 -8.469) 9.354 25.020 ( 1.774 2.415 -0.552) 3.047 25.182 ( 0.280 0.737 -0.132) 0.800 26.388 ( 4.558 5.149 -0.173) 6.878 26.498 ( 4.980 1.178 0.773) 5.175 26.763 ( 0.761 4.253 -1.661) 4.629 26.988 ( -3.699 0.352 -4.137) 5.561 27.848 ( 8.055 -1.819 0.654) 8.284 28.407 ( -7.539 -3.247 5.627) 9.953 ======================= Grid point 374 (197/215) ======================= q-point: ( 0.42 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 5.506 -0.773 -2.075) 5.935 2.640 ( -8.361 -0.129 0.923) 8.413 3.026 ( -4.187 1.043 -3.776) 5.734 3.327 ( -1.534 -4.258 -12.455) 13.252 3.785 ( 6.985 5.580 8.839) 12.572 4.027 ( -4.904 10.653 3.842) 12.341 4.293 ( 10.064 4.022 -4.544) 11.752 4.553 ( -1.130 5.100 1.146) 5.348 4.842 ( -2.360 1.494 -7.636) 8.131 4.927 ( 4.512 -1.323 2.149) 5.170 5.201 ( 2.297 1.241 -16.230) 16.438 5.477 ( -10.534 -6.745 -11.602) 17.061 6.108 ( 4.643 -1.067 7.143) 8.586 6.289 ( 5.259 8.172 3.091) 10.197 6.469 ( -0.327 -0.823 -5.974) 6.039 6.785 ( 0.187 -4.026 -3.769) 5.518 6.998 ( 8.353 1.236 -1.583) 8.591 7.107 ( -9.267 6.952 5.449) 12.802 7.344 ( -5.387 -0.343 3.272) 6.312 7.598 ( -8.599 4.093 1.175) 9.596 7.979 ( 1.382 -1.856 2.814) 3.643 8.216 ( 0.301 4.610 -3.865) 6.023 8.773 ( -7.001 -11.897 9.001) 16.479 9.086 ( 2.589 -11.516 -7.719) 14.103 9.905 ( 2.353 -9.263 11.163) 14.695 10.394 ( -4.626 -5.618 -4.955) 8.804 10.794 ( -0.724 -0.820 3.677) 3.836 10.973 ( 1.519 -5.483 -6.413) 8.573 11.869 ( -1.339 2.632 4.848) 5.676 12.064 ( 1.255 5.249 -5.440) 7.663 12.916 ( 0.187 0.121 0.391) 0.450 13.014 ( -3.573 -2.825 -0.690) 4.607 14.001 ( 11.117 11.261 9.447) 18.430 14.483 ( -4.987 5.564 5.300) 9.160 15.278 ( 2.958 -7.616 10.439) 13.256 15.854 ( -3.701 0.633 -5.933) 7.021 16.901 ( 3.557 3.649 3.526) 6.197 17.021 ( 8.260 1.287 2.088) 8.616 17.145 ( 1.056 -0.661 -3.975) 4.166 17.595 ( -4.781 -1.865 -9.520) 10.815 25.051 ( 2.126 1.898 0.531) 2.899 25.169 ( -0.954 0.460 -1.143) 1.558 26.455 ( 4.355 5.679 -0.242) 7.160 26.563 ( 2.253 2.937 -0.546) 3.742 26.742 ( -0.455 3.233 -1.008) 3.417 26.867 ( -4.438 -0.055 -3.689) 5.771 28.020 ( 9.484 -1.344 3.289) 10.128 28.338 ( -7.523 -2.882 2.745) 8.511 ======================= Grid point 375 (198/215) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -12.113 1.482 1.601) 12.308 2.529 ( 11.558 0.673 -3.016) 11.963 3.010 ( 4.770 -4.022 -0.105) 6.240 3.117 ( -3.422 -5.623 -9.816) 11.819 3.919 ( -3.182 3.467 6.402) 7.946 4.027 ( 3.968 1.882 -1.869) 4.773 4.436 ( 5.170 14.333 4.528) 15.895 4.573 ( 0.009 4.281 -3.274) 5.389 4.741 ( -2.409 4.421 2.175) 5.484 4.910 ( -3.525 1.225 -9.880) 10.561 5.127 ( -0.284 0.924 0.506) 1.091 5.254 ( 2.370 -1.768 -10.372) 10.785 6.245 ( 3.531 -1.407 4.256) 5.707 6.317 ( -4.188 -5.661 -1.997) 7.320 6.512 ( 3.777 2.865 7.178) 8.602 6.701 ( -4.320 1.299 -9.534) 10.547 6.964 ( -12.770 4.021 7.130) 15.169 7.109 ( 11.792 2.649 -6.728) 13.832 7.306 ( -11.016 2.417 13.962) 17.948 7.539 ( 7.822 4.609 -7.114) 11.534 8.064 ( 2.444 0.515 3.401) 4.219 8.167 ( 1.786 3.359 -6.554) 7.579 8.783 ( -6.954 -16.608 11.554) 21.394 9.030 ( 5.355 -12.744 -11.239) 17.816 10.070 ( 0.865 -6.612 11.487) 13.282 10.281 ( 0.808 -7.006 -8.532) 11.070 10.818 ( -3.186 -1.632 5.133) 6.258 10.934 ( 2.821 -3.885 -6.021) 7.701 11.907 ( -1.844 3.016 5.447) 6.494 12.018 ( 1.094 4.392 -5.317) 6.983 12.904 ( -5.238 -2.198 3.807) 6.838 12.988 ( 5.017 -1.413 -4.202) 6.695 14.261 ( 3.979 10.438 10.049) 15.026 14.394 ( -4.874 7.345 -2.201) 9.086 15.475 ( 2.907 -3.157 12.394) 13.116 15.703 ( -3.503 -0.522 -9.160) 9.821 16.939 ( -5.947 3.716 6.356) 9.465 17.101 ( 6.977 1.976 -8.775) 11.384 17.211 ( 1.152 -2.059 8.582) 8.900 17.415 ( -0.751 -2.887 -10.848) 11.251 25.096 ( 1.945 1.179 1.350) 2.645 25.128 ( -1.933 0.526 -1.682) 2.615 26.518 ( 3.258 5.369 0.432) 6.295 26.537 ( -3.335 5.051 -1.396) 6.212 26.743 ( -1.429 1.029 1.261) 2.166 26.789 ( 1.352 0.289 -3.174) 3.462 28.201 ( 7.221 -1.716 3.038) 8.020 28.232 ( -6.979 -1.832 -0.007) 7.215 ======================= Grid point 376 (199/215) ======================= q-point: (-0.42 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -4.273 0.401 3.013) 5.244 2.667 ( 7.968 -1.912 -2.253) 8.499 3.000 ( 2.195 -4.837 -1.151) 5.435 3.168 ( 6.747 -5.586 1.307) 8.856 3.900 ( -4.381 -2.258 -0.115) 4.930 4.047 ( 2.891 11.993 -1.230) 12.397 4.356 ( -8.413 10.482 -8.684) 16.002 4.612 ( 2.442 4.673 0.813) 5.335 4.685 ( -3.233 3.962 3.448) 6.168 4.874 ( -3.067 0.962 6.638) 7.375 5.079 ( 0.463 -1.964 -4.623) 5.044 5.311 ( 8.090 1.848 2.463) 8.656 6.184 ( -8.205 3.958 0.018) 9.110 6.341 ( -0.091 2.101 2.453) 3.231 6.421 ( -10.065 2.938 -5.155) 11.684 6.634 ( -1.272 -6.541 6.881) 9.578 6.951 ( -0.487 0.178 3.318) 3.359 7.205 ( 3.481 5.036 -0.550) 6.147 7.337 ( 1.488 -0.365 4.750) 4.991 7.642 ( 11.098 6.055 -4.450) 13.403 8.063 ( 1.681 -0.386 -4.168) 4.510 8.186 ( 5.081 2.947 -1.909) 6.176 8.830 ( -5.152 -15.212 11.868) 19.970 9.005 ( 7.696 -14.546 -9.834) 19.170 10.128 ( -1.404 -5.209 -4.517) 7.036 10.285 ( 7.344 -6.939 1.467) 10.210 10.810 ( -4.810 -1.605 4.375) 6.698 10.921 ( 2.813 -3.630 -3.614) 5.844 11.926 ( -3.332 4.775 3.572) 6.831 11.987 ( 1.686 2.432 -2.379) 3.797 12.870 ( -4.114 -2.295 3.560) 5.905 13.052 ( 7.946 -1.863 -3.238) 8.780 14.141 ( -14.200 8.680 -2.678) 16.857 14.507 ( 7.924 7.990 2.685) 11.569 15.471 ( -7.891 -1.442 -6.072) 10.061 15.703 ( 5.405 -1.398 6.608) 8.650 16.885 ( -9.500 1.908 5.781) 11.283 17.070 ( -1.438 1.635 -6.281) 6.648 17.190 ( -2.652 0.906 -2.935) 4.058 17.448 ( 7.789 -3.660 1.984) 8.831 25.071 ( -2.548 1.034 -1.404) 3.087 25.141 ( 1.438 0.754 1.434) 2.166 26.459 ( -4.436 5.385 -0.686) 7.011 26.549 ( -1.231 3.303 0.895) 3.637 26.728 ( 0.127 2.951 0.693) 3.034 26.825 ( 3.754 -0.621 -0.172) 3.809 28.075 ( -9.862 -0.767 -1.780) 10.050 28.359 ( 8.283 -2.633 0.886) 8.737 ======================= Grid point 377 (200/215) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 2.693 -4.967 1.535) 5.855 2.756 ( 4.372 2.449 1.561) 5.249 2.960 ( -9.516 -7.229 1.442) 12.037 3.306 ( 5.650 -0.902 3.840) 6.891 3.715 ( -13.445 0.745 -5.291) 14.468 4.057 ( -1.002 11.263 -6.028) 12.814 4.268 ( 7.094 5.671 1.959) 9.291 4.545 ( -2.218 5.341 -1.079) 5.883 4.788 ( -9.842 4.520 0.946) 10.871 4.875 ( 11.829 -1.897 8.966) 14.963 5.158 ( 6.639 -0.137 7.300) 9.869 5.493 ( 2.842 -4.379 9.674) 10.993 6.082 ( -5.786 13.586 1.670) 14.861 6.207 ( -3.235 6.498 -4.897) 8.756 6.429 ( 0.691 -4.122 4.913) 6.450 6.697 ( -1.436 -6.907 7.847) 10.553 6.950 ( -0.607 -1.655 -2.760) 3.274 7.200 ( -1.754 8.171 -0.469) 8.370 7.431 ( 5.766 -3.186 -1.507) 6.758 7.703 ( 1.255 5.646 -0.817) 5.842 8.058 ( 2.766 -2.286 -7.097) 7.952 8.282 ( 10.301 2.511 -1.319) 10.684 8.882 ( -0.633 -9.487 4.942) 10.716 9.043 ( 6.143 -16.101 -2.813) 17.461 9.999 ( 0.202 -6.830 -14.205) 15.763 10.449 ( 6.493 -3.493 4.558) 8.668 10.791 ( -1.652 -0.852 2.739) 3.310 10.933 ( 0.998 -5.064 0.793) 5.222 11.892 ( -3.008 5.636 0.076) 6.389 12.017 ( 1.573 1.434 2.356) 3.175 12.855 ( -3.120 -1.698 3.014) 4.658 13.145 ( 8.147 -2.235 -3.500) 9.144 13.853 ( -15.252 8.598 -5.456) 18.339 14.578 ( 0.818 4.679 -4.851) 6.790 15.290 ( -4.122 -5.375 -4.967) 8.400 15.858 ( 3.961 0.828 6.330) 7.513 16.782 ( -9.409 0.270 1.898) 9.603 16.931 ( -5.996 2.439 -3.682) 7.447 17.157 ( 1.410 2.948 -2.441) 4.079 17.600 ( 4.326 -2.868 6.884) 8.621 25.019 ( -2.401 1.729 -0.556) 3.011 25.171 ( 0.502 0.844 0.874) 1.315 26.386 ( -4.137 5.339 -0.134) 6.756 26.505 ( -4.226 1.210 0.118) 4.398 26.748 ( 0.580 4.251 -0.145) 4.293 26.899 ( 3.000 -1.052 3.787) 4.944 27.884 ( -10.575 -0.877 -2.375) 10.874 28.488 ( 8.820 -2.950 -1.955) 9.504 ======================= Grid point 378 (201/215) ======================= q-point: (-0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -9.728 -3.321 5.599) 11.705 2.697 ( -15.825 14.622 -0.602) 21.555 2.936 ( 8.928 -5.044 2.876) 10.650 3.323 ( 2.481 4.764 -7.739) 9.420 3.530 ( -6.046 -14.873 0.658) 16.068 3.969 ( -5.153 6.753 6.395) 10.633 4.519 ( 9.027 8.038 6.224) 13.596 4.543 ( 3.491 -2.780 -5.054) 6.742 4.693 ( -0.013 2.089 9.230) 9.464 5.195 ( 9.056 7.409 9.239) 14.908 5.401 ( 10.776 -7.990 7.906) 15.571 5.599 ( -3.774 1.159 13.567) 14.130 6.011 ( 0.811 10.003 -6.861) 12.157 6.197 ( -1.085 5.291 6.623) 8.546 6.497 ( 0.148 -4.263 4.847) 6.457 6.762 ( -0.463 -4.581 2.744) 5.360 6.891 ( -0.617 -1.719 -2.084) 2.771 7.165 ( -0.868 7.844 -1.527) 8.038 7.461 ( 1.485 -0.082 -2.148) 2.613 7.717 ( 2.655 6.592 -1.494) 7.261 7.963 ( -2.038 -1.332 -8.389) 8.736 8.380 ( 5.284 1.232 -6.359) 8.359 8.955 ( 3.340 -8.144 2.426) 9.130 9.131 ( 8.556 -12.937 -0.062) 15.511 9.815 ( -0.325 -8.323 -15.665) 17.742 10.521 ( -2.377 -1.114 1.573) 3.060 10.838 ( 4.561 -1.227 -1.940) 5.107 11.011 ( 3.782 -5.976 7.938) 10.631 11.840 ( -3.486 6.875 0.110) 7.709 12.083 ( 2.586 -0.177 2.791) 3.809 12.815 ( -5.905 -1.414 0.745) 6.118 13.182 ( 1.599 0.157 -6.243) 6.447 13.579 ( -9.927 4.067 -3.280) 11.218 14.405 ( -7.703 1.074 -12.322) 14.572 15.269 ( 4.262 -7.463 0.636) 8.617 15.981 ( 3.572 2.544 4.810) 6.509 16.640 ( -7.202 2.393 -2.598) 8.022 16.817 ( -4.600 2.590 -2.409) 5.803 17.170 ( 0.614 1.967 2.216) 3.026 17.741 ( 1.591 -2.387 8.503) 8.974 24.986 ( -1.778 2.139 0.607) 2.847 25.176 ( -0.434 1.280 -0.178) 1.363 26.322 ( -3.743 4.810 -0.393) 6.108 26.433 ( -4.050 0.472 -0.933) 4.183 26.726 ( -2.966 3.073 -0.192) 4.276 26.978 ( -0.741 -0.515 3.855) 3.959 27.726 ( -6.734 -1.792 1.562) 7.141 28.589 ( 9.358 -2.551 -5.380) 11.091 ======================= Grid point 379 (202/215) ======================= q-point: (-0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -19.719 14.020 0.945) 24.213 2.511 ( -11.930 16.547 15.944) 25.891 3.095 ( 3.635 -4.508 -12.908) 14.148 3.309 ( 10.313 -10.278 -2.541) 14.780 3.596 ( 15.446 -5.367 3.002) 16.625 4.043 ( -7.698 -5.340 20.723) 22.743 4.384 ( -3.066 -5.899 -10.579) 12.495 4.733 ( 3.908 2.856 10.924) 11.948 5.016 ( 13.767 -3.201 11.156) 18.007 5.342 ( 0.887 1.781 6.380) 6.683 5.529 ( -4.248 8.028 7.113) 11.537 5.782 ( 1.174 13.677 9.444) 16.662 5.992 ( 6.150 -3.236 -0.342) 6.958 6.281 ( 1.096 -1.711 6.484) 6.795 6.542 ( -0.515 -1.171 3.246) 3.489 6.680 ( -4.725 -1.940 -5.955) 7.845 6.910 ( 1.203 -0.378 -1.792) 2.191 7.154 ( -0.491 6.586 2.671) 7.124 7.449 ( -0.041 4.743 -1.906) 5.111 7.744 ( 3.748 9.217 -2.615) 10.288 7.838 ( -0.865 -0.428 -6.861) 6.929 8.312 ( 1.532 8.346 -12.095) 14.775 8.994 ( 0.539 -14.260 0.194) 14.272 9.323 ( 12.390 -10.924 0.945) 16.545 9.654 ( 2.009 -7.637 -11.310) 13.794 10.454 ( -6.123 -0.886 -0.415) 6.201 10.864 ( 4.173 -2.384 -3.727) 6.082 11.170 ( 1.847 -4.036 5.783) 7.290 11.800 ( -1.521 7.547 1.217) 7.795 12.142 ( 0.926 -1.176 0.940) 1.768 12.670 ( -10.313 -2.063 -1.781) 10.667 13.028 ( -8.805 0.204 -6.346) 10.855 13.512 ( 1.943 -1.254 -0.317) 2.334 14.129 ( -7.945 -0.180 -10.838) 13.439 15.405 ( 8.960 -6.936 3.665) 11.908 16.090 ( 3.637 4.853 3.401) 6.953 16.517 ( -3.929 4.982 -2.505) 6.821 16.709 ( -3.926 2.011 -4.547) 6.335 17.235 ( 1.874 -0.524 5.600) 5.928 17.832 ( -2.113 -3.090 6.434) 7.444 24.978 ( -0.964 2.067 1.668) 2.825 25.155 ( -0.989 1.741 -1.253) 2.362 26.257 ( -3.462 3.814 -0.908) 5.230 26.359 ( -3.061 0.061 -2.136) 3.733 26.664 ( -4.591 2.077 0.597) 5.074 26.922 ( -7.807 -1.519 -0.775) 7.991 27.761 ( 2.034 -1.542 10.081) 10.399 28.645 ( 7.886 -1.863 -8.845) 11.995 ======================= Grid point 380 (203/215) ======================= q-point: (-0.08 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -11.093 14.978 9.059) 20.724 2.653 ( -1.517 11.203 19.046) 22.149 2.866 ( -2.282 0.853 -18.257) 18.419 3.391 ( 3.657 -12.284 -6.311) 14.286 3.966 ( 13.727 -4.479 6.088) 15.670 4.231 ( 5.221 -7.272 6.951) 11.334 4.323 ( 5.940 -11.567 11.729) 17.511 4.852 ( -0.007 -1.829 3.492) 3.942 5.269 ( -6.320 -1.053 3.929) 7.516 5.319 ( -1.426 -5.838 7.210) 9.386 5.600 ( 3.568 5.408 6.532) 9.200 5.832 ( -2.476 14.345 4.829) 15.337 6.155 ( 4.992 0.391 4.874) 6.988 6.287 ( -4.890 -6.315 0.117) 7.988 6.548 ( -1.648 2.175 -0.638) 2.802 6.612 ( 0.175 7.349 5.716) 9.312 6.841 ( -1.261 0.301 -7.926) 8.032 7.183 ( -0.886 12.029 0.193) 12.063 7.410 ( -0.366 6.152 -2.229) 6.554 7.737 ( 1.553 2.590 -7.851) 8.412 7.822 ( 1.882 9.496 3.311) 10.231 8.185 ( 3.048 12.986 -13.812) 19.202 9.020 ( 0.619 -16.994 3.586) 17.379 9.403 ( 1.218 -17.721 -6.469) 18.904 9.712 ( 14.661 -2.065 -1.372) 14.869 10.318 ( -8.028 -1.452 -4.321) 9.231 10.907 ( 7.656 -2.035 -3.995) 8.872 11.129 ( -11.766 -0.879 1.528) 11.897 11.847 ( 3.011 5.439 3.771) 7.272 12.106 ( -3.940 1.343 -2.207) 4.712 12.546 ( -3.475 -6.224 1.744) 7.339 12.820 ( -7.706 -5.597 -5.324) 10.911 13.573 ( 4.457 -1.132 1.051) 4.717 13.915 ( -6.035 -0.175 -7.186) 9.386 15.618 ( 9.545 -3.649 6.712) 12.225 16.133 ( -1.416 6.390 -1.486) 6.712 16.469 ( -0.478 5.103 0.238) 5.131 16.603 ( -1.553 2.419 -4.923) 5.701 17.368 ( 5.983 -2.720 6.521) 9.258 17.808 ( -7.087 -4.221 1.652) 8.413 24.994 ( -0.155 1.748 2.396) 2.970 25.119 ( -0.942 2.014 -2.034) 3.013 26.200 ( -2.353 2.401 -0.413) 3.388 26.287 ( -2.050 -0.302 -3.122) 3.747 26.615 ( -2.713 1.142 1.617) 3.359 26.777 ( -6.641 -2.178 -2.322) 7.365 27.970 ( 4.456 -0.899 14.093) 14.808 28.616 ( 3.628 -1.134 -11.632) 12.238 ======================= Grid point 381 (204/215) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.896 16.907 11.009) 20.195 2.631 ( -1.854 6.858 -13.132) 14.930 3.011 ( -3.201 -2.592 7.237) 8.327 3.092 ( 0.591 -10.978 0.282) 10.997 4.052 ( 5.672 -2.775 4.083) 7.519 4.130 ( 0.318 -4.103 0.687) 4.172 4.530 ( -2.035 -3.390 6.652) 7.738 4.706 ( 4.775 -8.884 -3.898) 10.813 5.170 ( 6.909 0.843 3.146) 7.638 5.222 ( -8.339 -2.670 -0.856) 8.798 5.679 ( -0.673 2.562 3.806) 4.636 5.784 ( -2.485 -6.513 -4.761) 8.441 6.218 ( -2.031 2.643 5.164) 6.146 6.341 ( 5.011 -0.204 -4.572) 6.787 6.592 ( -1.025 0.108 5.230) 5.331 6.702 ( -0.419 -0.201 -5.628) 5.647 7.188 ( -1.522 18.254 14.231) 23.196 7.428 ( 0.663 10.092 -5.087) 11.321 7.526 ( -2.797 3.923 10.183) 11.265 7.659 ( -2.478 -3.500 0.656) 4.339 8.128 ( -2.125 16.268 5.491) 17.301 8.427 ( 5.900 19.975 -20.410) 29.162 8.645 ( -8.067 -21.630 12.349) 26.180 8.933 ( 9.899 -22.344 -14.881) 28.612 9.924 ( 13.893 -1.045 2.284) 14.118 10.040 ( -11.584 -1.577 -8.758) 14.607 10.939 ( -14.746 0.884 3.277) 15.131 11.007 ( 12.041 -0.276 -2.577) 12.316 11.959 ( -8.639 0.863 5.912) 10.504 12.060 ( 7.670 -0.328 -3.803) 8.567 12.476 ( 4.202 -2.413 1.326) 5.024 12.547 ( -4.032 -3.355 -5.493) 7.595 13.667 ( 4.894 0.105 3.177) 5.835 13.748 ( -5.663 -0.195 -4.807) 7.431 15.871 ( 10.049 0.919 11.141) 15.031 16.057 ( -12.430 1.574 -6.553) 14.139 16.544 ( -0.880 1.651 2.013) 2.748 16.612 ( 3.452 1.409 -4.740) 6.031 17.519 ( 9.735 -1.210 4.491) 10.789 17.591 ( -8.867 -2.466 -2.143) 9.449 25.048 ( 0.330 0.511 3.078) 3.138 25.112 ( -0.342 0.859 -3.035) 3.172 26.202 ( -0.165 0.805 -0.398) 0.913 26.218 ( -0.397 -0.660 -1.851) 2.004 26.631 ( 1.252 0.301 0.841) 1.538 26.656 ( -0.598 -1.046 -1.563) 1.973 28.190 ( 1.424 -0.056 14.729) 14.798 28.474 ( -1.353 -0.186 -13.044) 13.116 ======================= Grid point 382 (205/215) ======================= q-point: ( 0.08 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 5.008 13.255 -8.818) 16.689 2.601 ( 8.810 12.362 11.662) 19.142 3.045 ( -0.084 -8.974 2.676) 9.365 3.148 ( 5.359 -4.420 -1.909) 7.204 3.922 ( -14.075 0.227 -7.325) 15.869 4.117 ( -5.824 -4.080 0.573) 7.134 4.468 ( -9.537 -4.243 -0.008) 10.438 4.587 ( -5.340 -13.228 -6.309) 15.598 5.206 ( 9.239 0.717 5.642) 10.849 5.403 ( 8.309 -1.243 -5.328) 9.948 5.743 ( 3.743 0.791 -1.396) 4.072 5.794 ( 5.414 -3.178 6.358) 8.936 6.219 ( -5.924 0.636 2.609) 6.504 6.309 ( 0.038 0.156 -7.039) 7.041 6.574 ( -6.244 1.969 -0.173) 6.550 6.623 ( -3.304 -3.053 3.470) 5.681 7.284 ( -3.521 14.206 -1.202) 14.685 7.359 ( 0.874 10.625 1.560) 10.774 7.564 ( -4.628 5.343 2.440) 7.478 7.651 ( 0.565 0.091 3.023) 3.077 8.127 ( -8.355 15.075 3.288) 17.546 8.321 ( 4.831 14.768 -5.150) 16.369 8.641 ( -7.286 -16.665 8.719) 20.170 8.947 ( 10.838 -22.224 -12.942) 27.909 9.736 ( -14.063 -1.141 -5.887) 15.288 10.164 ( 11.065 -1.660 4.005) 11.884 10.796 ( -9.429 0.447 5.321) 10.836 11.171 ( 10.099 -0.501 -1.948) 10.298 11.879 ( -8.060 0.651 4.765) 9.386 12.144 ( 7.453 0.300 -3.491) 8.236 12.488 ( 4.040 -2.557 -3.098) 5.697 12.630 ( 10.112 -2.722 3.849) 11.157 13.614 ( -4.436 0.059 -3.585) 5.703 13.795 ( 4.912 -0.028 4.882) 6.925 15.732 ( -16.772 0.088 -7.094) 18.211 16.132 ( 5.620 2.720 9.727) 11.558 16.557 ( 0.748 1.754 0.738) 2.045 16.589 ( 0.318 0.792 -3.639) 3.737 17.431 ( -4.682 -1.718 -4.356) 6.622 17.732 ( 9.949 -1.841 2.351) 10.387 25.073 ( 0.097 0.844 -2.719) 2.849 25.096 ( 1.031 0.490 2.738) 2.967 26.222 ( 2.447 0.345 -0.005) 2.472 26.230 ( 2.810 -0.059 1.088) 3.014 26.666 ( 4.134 0.104 -1.798) 4.510 26.705 ( 6.625 -0.750 1.048) 6.749 28.255 ( -5.771 0.114 -13.636) 14.807 28.345 ( -3.009 -0.342 13.259) 13.600 ======================= Grid point 383 (206/215) ======================= q-point: ( 0.17 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 10.783 16.301 -3.303) 19.822 2.819 ( 5.290 -0.084 1.191) 5.423 3.031 ( -4.642 -4.825 -1.321) 6.824 3.183 ( 6.758 6.056 -2.405) 9.388 3.600 ( -13.196 -2.125 -7.143) 15.155 4.061 ( -1.785 -1.247 8.683) 8.952 4.291 ( 5.580 -5.318 -14.855) 16.736 4.582 ( -1.019 -15.341 4.276) 15.959 5.257 ( -2.677 2.941 -13.427) 14.004 5.443 ( 2.792 -2.984 -0.758) 4.156 5.704 ( -0.053 1.430 -4.439) 4.664 5.966 ( -6.378 0.336 1.667) 6.601 6.104 ( -5.412 2.136 3.632) 6.859 6.139 ( -8.606 -1.792 -2.177) 9.056 6.520 ( 3.535 -1.783 -1.839) 4.366 6.706 ( 0.865 -1.627 9.774) 9.946 7.150 ( -2.717 12.462 -9.591) 15.959 7.345 ( -4.412 1.815 -1.478) 4.994 7.534 ( -0.478 9.207 -0.745) 9.249 7.694 ( -0.088 -1.599 2.919) 3.329 7.989 ( -9.222 10.077 2.563) 13.898 8.422 ( 3.063 19.652 4.677) 20.431 8.645 ( -1.773 -11.221 5.595) 12.663 8.935 ( 2.882 -23.752 -7.234) 24.996 9.505 ( -9.108 -1.945 -0.964) 9.363 10.355 ( 7.259 -1.867 3.405) 8.233 10.754 ( -4.499 0.205 5.219) 6.893 11.215 ( -0.978 -2.079 -3.772) 4.417 11.845 ( -3.439 1.585 4.728) 6.057 12.199 ( 5.329 0.418 -4.498) 6.986 12.596 ( 11.455 -1.618 -0.196) 11.571 12.866 ( 9.358 -0.870 7.919) 12.290 13.538 ( 0.582 0.388 -2.727) 2.815 13.942 ( 5.071 -0.226 7.045) 8.684 15.393 ( -16.484 -1.705 -4.207) 17.098 16.215 ( -4.872 3.190 2.029) 6.166 16.583 ( 4.212 2.854 0.033) 5.088 16.623 ( 4.859 -0.841 2.334) 5.455 17.339 ( -0.001 -0.801 -5.659) 5.716 17.861 ( 5.287 -1.691 -1.616) 5.781 25.048 ( 0.846 0.734 -2.474) 2.716 25.145 ( 1.152 0.650 2.334) 2.683 26.285 ( 4.439 1.091 0.984) 4.676 26.308 ( 4.488 -0.229 1.725) 4.814 26.729 ( 6.298 0.935 -2.077) 6.697 26.858 ( 9.974 -1.143 1.694) 10.181 27.992 ( -6.853 0.143 -12.500) 14.256 28.411 ( -6.783 -0.624 11.177) 13.089 ======================= Grid point 384 (207/215) ======================= q-point: ( 0.25 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -7.037 0.640 -9.614) 11.932 2.816 ( -7.288 -1.515 2.003) 7.708 3.048 ( 12.124 8.587 -2.095) 15.004 3.339 ( 10.246 -4.022 -4.495) 11.889 3.463 ( 10.509 8.990 -3.444) 14.252 4.160 ( -0.053 0.401 1.712) 1.759 4.334 ( 10.459 1.119 -0.452) 10.528 4.610 ( 0.789 -16.824 0.721) 16.858 4.992 ( -9.031 11.433 -13.405) 19.798 5.266 ( -5.566 -13.861 -10.645) 18.342 5.542 ( -24.627 2.773 -8.856) 26.318 5.738 ( 0.846 -2.868 -6.729) 7.364 6.064 ( -3.499 2.595 5.974) 7.393 6.230 ( 2.305 2.902 7.432) 8.305 6.581 ( 3.893 -3.876 0.425) 5.510 6.798 ( -2.137 3.236 4.221) 5.732 7.007 ( -2.419 6.491 -4.833) 8.447 7.244 ( -2.374 -0.421 -5.029) 5.578 7.488 ( -0.275 3.783 -4.656) 6.006 7.712 ( -6.185 1.002 7.939) 10.114 7.961 ( -2.326 9.321 7.809) 12.380 8.438 ( 2.614 11.605 -7.721) 14.182 8.726 ( -2.107 -6.886 7.988) 10.755 8.869 ( -1.454 -16.566 -4.845) 17.321 9.447 ( -1.726 -4.594 6.238) 7.937 10.463 ( 2.112 -1.930 1.772) 3.365 10.759 ( -2.516 0.366 4.366) 5.052 11.085 ( -5.736 -3.051 -6.595) 9.257 11.859 ( -2.231 1.347 4.449) 5.157 12.207 ( 3.591 1.333 -5.837) 6.981 12.787 ( 10.657 -1.117 0.070) 10.716 13.041 ( -0.832 0.078 7.614) 7.659 13.617 ( 11.598 2.954 1.323) 12.041 14.137 ( 6.557 -1.251 10.769) 12.670 15.144 ( -12.026 -2.885 1.238) 12.429 16.105 ( -7.144 1.562 -1.228) 7.415 16.682 ( 7.927 3.329 -0.279) 8.602 16.760 ( 6.784 -0.645 3.466) 7.646 17.278 ( 0.215 0.150 -5.359) 5.365 17.856 ( 0.190 -1.402 -6.072) 6.234 25.041 ( 1.482 0.781 -1.794) 2.454 25.183 ( 0.746 0.607 1.268) 1.591 26.376 ( 5.342 1.897 0.886) 5.738 26.404 ( 5.253 -0.456 1.184) 5.404 26.799 ( 5.155 1.503 -2.068) 5.754 27.009 ( 5.600 -0.748 -0.365) 5.662 27.796 ( -1.046 -0.120 -6.934) 7.013 28.406 ( -8.359 -0.907 8.620) 12.041 ======================= Grid point 385 (208/215) ======================= q-point: ( 0.33 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.022 -2.031 -4.588) 5.017 2.718 ( -6.952 -1.324 2.039) 7.365 3.132 ( 7.009 4.829 -11.667) 14.442 3.363 ( 7.801 -5.164 -13.935) 16.784 3.775 ( 16.981 9.687 5.853) 20.407 4.096 ( -7.976 1.618 1.174) 8.222 4.433 ( -1.862 4.215 -0.386) 4.624 4.579 ( 3.887 -1.919 -1.917) 4.739 4.855 ( 0.387 3.201 -4.553) 5.579 5.038 ( -11.525 -5.134 -4.754) 13.483 5.195 ( 0.840 -6.687 -8.117) 10.550 5.572 ( -5.072 -6.239 -13.376) 15.606 6.094 ( -3.426 6.283 6.079) 9.390 6.298 ( -1.043 -1.947 1.627) 2.743 6.636 ( -0.882 3.461 3.882) 5.275 6.759 ( -0.239 2.027 -2.967) 3.601 6.978 ( 0.197 4.797 1.023) 4.909 7.169 ( -2.629 -5.701 -0.630) 6.310 7.463 ( 2.137 8.538 -1.641) 8.953 7.694 ( -8.088 -2.163 9.058) 12.335 8.036 ( -2.016 10.064 7.015) 12.433 8.375 ( 2.717 5.382 -8.763) 10.637 8.642 ( -11.903 -7.212 1.036) 13.956 8.840 ( 6.435 -14.508 -10.105) 18.815 9.580 ( 1.268 -3.686 14.566) 15.079 10.445 ( -5.109 -2.064 -1.027) 5.606 10.772 ( -1.730 0.733 3.528) 3.997 10.940 ( -1.172 -3.411 -6.837) 7.730 11.877 ( -2.150 0.979 4.551) 5.128 12.179 ( 2.345 1.757 -6.488) 7.119 12.899 ( 5.782 -0.160 -2.780) 6.418 13.037 ( -6.398 -0.975 3.652) 7.431 13.893 ( 15.156 6.265 6.342) 17.584 14.381 ( 4.575 -2.265 12.627) 13.620 15.060 ( -4.830 -2.757 7.949) 9.701 15.989 ( -5.174 0.904 -2.035) 5.633 16.818 ( 9.899 2.332 -0.964) 10.216 16.898 ( 6.372 -0.151 2.230) 6.752 17.217 ( -1.360 0.806 -3.431) 3.777 17.738 ( -3.140 -1.302 -9.211) 9.818 25.052 ( 1.908 0.794 -0.972) 2.284 25.195 ( -0.190 0.450 -0.018) 0.489 26.466 ( 5.252 2.615 -0.073) 5.867 26.501 ( 5.799 -0.688 0.384) 5.852 26.831 ( 1.529 2.024 -1.676) 3.040 26.984 ( -3.464 -0.477 -4.888) 6.010 27.829 ( 7.900 -0.258 1.413) 8.029 28.362 ( -7.848 -1.109 5.809) 9.827 ======================= Grid point 386 (209/215) ======================= q-point: ( 0.42 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 10.628 0.252 -2.739) 10.979 2.643 ( -4.276 0.252 -0.534) 4.317 3.022 ( -2.992 0.339 -10.482) 10.906 3.188 ( -6.248 -6.870 -14.613) 17.314 3.895 ( 1.506 4.826 -0.445) 5.075 4.102 ( -4.703 -1.399 1.538) 5.142 4.441 ( 7.731 7.570 4.851) 11.858 4.679 ( 1.435 5.248 -0.118) 5.442 4.760 ( 6.790 -3.895 -2.545) 8.231 5.007 ( -2.112 4.125 0.489) 4.661 5.178 ( 9.401 -3.161 -9.762) 13.917 5.328 ( -7.910 -6.112 -8.041) 12.829 6.106 ( -0.588 1.463 2.748) 3.168 6.253 ( -4.034 -4.922 -1.097) 6.457 6.642 ( -4.235 8.528 4.841) 10.681 6.737 ( 1.943 -1.375 -4.079) 4.722 7.031 ( 2.143 2.605 3.515) 4.871 7.143 ( -1.408 -3.642 1.768) 4.286 7.495 ( -0.868 13.286 3.870) 13.865 7.679 ( -5.819 -1.409 5.706) 8.271 8.026 ( -3.338 11.151 1.973) 11.806 8.342 ( 0.880 -3.110 -2.836) 4.300 8.480 ( -6.626 -4.530 -1.779) 8.221 8.782 ( 5.478 -17.503 -14.863) 23.607 9.786 ( 1.684 -2.618 15.087) 15.405 10.313 ( -5.669 -2.181 -4.562) 7.597 10.787 ( -1.651 0.223 3.294) 3.691 10.884 ( 2.022 -2.890 -4.901) 6.038 11.903 ( -1.716 0.836 5.188) 5.528 12.131 ( 1.464 1.589 -6.563) 6.910 12.928 ( 1.726 1.020 -2.041) 2.861 12.966 ( -4.062 -1.860 0.207) 4.472 14.196 ( 12.475 6.648 6.834) 15.701 14.508 ( -4.451 -1.561 7.711) 9.039 15.193 ( 3.413 -1.518 14.832) 15.295 15.877 ( -4.437 0.992 -4.909) 6.691 16.958 ( 8.361 1.749 -0.863) 8.586 17.014 ( 3.556 -0.698 3.490) 5.031 17.163 ( -0.031 1.018 -2.359) 2.570 17.556 ( -4.515 -1.419 -10.490) 11.509 25.078 ( 2.075 0.696 -0.076) 2.190 25.177 ( -1.276 0.272 -1.018) 1.654 26.538 ( 4.726 2.441 -0.892) 5.394 26.585 ( 4.285 -0.080 -0.440) 4.308 26.807 ( -2.094 2.510 -1.166) 3.471 26.857 ( -3.981 -0.872 -3.997) 5.708 28.006 ( 8.874 -0.229 3.941) 9.712 28.298 ( -6.959 -1.010 2.996) 7.643 ======================= Grid point 387 (210/215) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -8.196 2.979 -1.187) 8.801 2.565 ( 10.961 2.221 -4.391) 12.015 2.903 ( -0.129 -3.781 -2.687) 4.640 2.955 ( -1.974 -8.061 -7.480) 11.173 3.945 ( -6.027 0.576 0.849) 6.113 3.987 ( 6.733 -2.565 -3.084) 7.837 4.652 ( 7.056 6.527 4.217) 10.496 4.720 ( -2.551 6.518 -1.536) 7.166 4.788 ( -1.021 0.187 3.399) 3.554 4.924 ( -0.100 -0.198 -7.373) 7.377 5.137 ( -12.182 0.054 2.787) 12.497 5.266 ( 13.213 1.060 -9.087) 16.071 6.155 ( 3.873 -3.880 0.846) 5.548 6.173 ( -3.485 -5.053 -1.184) 6.252 6.617 ( -7.491 3.495 6.649) 10.609 6.743 ( 5.602 0.401 -4.516) 7.207 7.043 ( -10.864 2.052 7.889) 13.582 7.191 ( 9.634 2.856 -5.198) 11.313 7.488 ( -12.747 14.670 13.097) 23.435 7.666 ( 4.258 5.869 -1.948) 7.508 8.083 ( 3.626 2.504 4.821) 6.532 8.242 ( -2.568 -3.482 -8.170) 9.245 8.447 ( -1.457 -5.617 4.783) 7.520 8.694 ( 7.119 -18.760 -15.465) 25.333 9.981 ( 2.762 -2.188 12.063) 12.567 10.186 ( -1.079 -2.403 -7.845) 8.275 10.794 ( -2.602 -0.508 3.483) 4.378 10.868 ( 2.302 -2.057 -3.879) 4.958 11.944 ( -1.821 0.825 6.123) 6.441 12.073 ( 0.921 1.266 -6.291) 6.483 12.882 ( -6.315 -0.306 3.567) 7.260 12.971 ( 6.289 -0.406 -4.798) 7.921 14.416 ( -1.814 4.911 6.451) 8.308 14.469 ( 0.402 0.389 1.591) 1.687 15.454 ( 5.092 0.125 15.451) 16.269 15.717 ( -5.250 0.981 -9.512) 10.909 16.996 ( -7.711 1.819 5.506) 9.648 17.086 ( 5.348 -1.603 -2.030) 5.941 17.218 ( 6.413 1.185 1.528) 6.698 17.363 ( -2.696 -1.833 -11.059) 11.529 25.114 ( 1.930 0.529 0.733) 2.131 25.135 ( -2.041 0.210 -1.304) 2.431 26.589 ( 0.416 1.736 -0.513) 1.857 26.598 ( 0.484 1.185 -1.385) 1.886 26.768 ( -2.348 1.051 0.555) 2.632 26.794 ( 1.365 0.095 -2.067) 2.479 28.179 ( 7.395 -0.473 3.124) 8.042 28.208 ( -7.130 -0.598 0.339) 7.163 ======================= Grid point 388 (211/215) ======================= q-point: (-0.42 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -8.244 0.573 0.542) 8.282 2.663 ( 8.083 1.529 -2.732) 8.668 2.890 ( 0.447 -3.401 1.256) 3.653 2.999 ( 4.360 -8.435 2.737) 9.882 3.876 ( 1.513 0.202 0.375) 1.572 4.148 ( 11.411 0.688 -2.041) 11.613 4.528 ( -11.099 2.645 -3.003) 11.799 4.699 ( -4.614 6.569 -0.688) 8.057 4.753 ( -6.747 2.156 -3.541) 7.919 4.945 ( 2.145 2.883 6.864) 7.748 5.028 ( -2.717 -2.294 2.772) 4.509 5.325 ( 5.256 -0.964 -6.741) 8.602 6.140 ( 1.385 -1.634 -0.923) 2.332 6.235 ( 4.644 -5.681 0.581) 7.361 6.590 ( -5.909 0.254 7.675) 9.690 6.762 ( 0.639 12.708 -4.266) 13.420 6.940 ( -8.684 1.478 6.265) 10.810 7.267 ( 6.919 -2.100 -5.532) 9.104 7.456 ( -8.562 14.274 10.041) 19.439 7.752 ( 5.421 -0.438 -0.055) 5.439 8.044 ( -3.817 0.905 -1.493) 4.197 8.302 ( 9.603 7.619 -0.729) 12.280 8.495 ( -1.180 -12.244 7.032) 14.169 8.661 ( 10.447 -18.082 -12.392) 24.283 10.067 ( 0.968 -1.112 -10.766) 10.866 10.182 ( 6.807 -2.924 7.524) 10.559 10.788 ( -3.460 -0.522 3.596) 5.018 10.859 ( 1.727 -1.917 -3.056) 4.000 11.986 ( -2.743 1.404 6.424) 7.125 12.018 ( 1.115 0.709 -4.983) 5.155 12.841 ( -4.778 -0.615 4.348) 6.489 13.031 ( 7.974 -0.403 -4.174) 9.010 14.265 ( -14.653 3.267 0.764) 15.033 14.593 ( 5.755 1.441 0.009) 5.933 15.478 ( -7.524 0.981 -11.923) 14.133 15.700 ( 4.603 0.334 11.446) 12.341 16.912 ( -8.878 0.899 3.616) 9.628 17.078 ( -6.123 -0.315 -0.682) 6.169 17.225 ( 4.677 1.724 -8.771) 10.088 17.381 ( 6.178 -2.439 4.641) 8.103 25.086 ( -2.436 0.372 -0.854) 2.608 25.154 ( 1.605 0.398 1.105) 1.989 26.530 ( -4.171 1.644 -0.149) 4.485 26.589 ( -2.744 0.939 -0.699) 2.983 26.774 ( 2.054 1.288 1.890) 3.074 26.818 ( 2.129 -0.085 -0.363) 2.162 28.068 ( -9.264 -0.074 -1.847) 9.447 28.323 ( 7.649 -0.948 0.869) 7.757 ======================= Grid point 389 (212/215) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -2.052 -2.755 1.113) 3.611 2.769 ( 5.833 -1.723 -3.718) 7.128 2.895 ( -4.858 3.642 10.077) 11.764 3.093 ( -2.201 -12.655 10.118) 16.351 3.918 ( -9.876 13.013 -6.357) 17.530 4.134 ( 7.340 -4.358 -3.064) 9.070 4.452 ( 0.235 10.297 -2.883) 10.696 4.598 ( -7.084 0.117 -2.202) 7.419 4.694 ( 2.017 -6.029 7.996) 10.215 4.983 ( 6.102 7.762 2.413) 10.164 5.148 ( 3.680 -1.862 -0.223) 4.130 5.316 ( -0.151 -9.914 6.916) 12.089 6.182 ( 4.872 3.119 -2.493) 6.299 6.301 ( 2.513 -4.484 0.492) 5.163 6.617 ( -3.449 3.458 8.152) 9.503 6.677 ( -6.780 14.828 3.098) 16.596 6.935 ( 0.521 2.528 0.481) 2.626 7.272 ( 2.959 -7.395 -6.110) 10.039 7.436 ( -3.386 7.418 2.389) 8.497 7.792 ( 1.145 0.867 0.476) 1.513 8.054 ( -0.367 3.798 4.704) 6.057 8.353 ( 2.001 2.627 -5.189) 6.151 8.601 ( 4.280 -11.559 5.681) 13.572 8.748 ( 13.888 -12.279 -5.818) 19.429 9.921 ( 1.290 -1.429 -16.651) 16.762 10.393 ( 8.744 -1.721 4.844) 10.144 10.786 ( -1.892 0.217 4.719) 5.089 10.851 ( 0.865 -2.593 -1.554) 3.144 11.970 ( 0.777 2.106 -3.693) 4.322 12.032 ( -2.681 0.179 6.694) 7.213 12.825 ( -4.111 -0.900 4.052) 5.842 13.116 ( 8.547 -0.675 -4.028) 9.473 13.999 ( -17.311 4.531 -2.693) 18.095 14.598 ( -1.398 -0.853 -6.871) 7.063 15.234 ( -4.946 -0.859 -8.884) 10.204 15.879 ( 3.413 0.715 8.229) 8.938 16.810 ( -6.691 1.771 0.092) 6.922 16.946 ( -6.943 -0.438 -1.629) 7.145 17.221 ( 3.462 2.422 -4.586) 6.236 17.540 ( 3.539 -2.300 8.855) 9.809 25.042 ( -2.351 0.544 -0.029) 2.414 25.187 ( 0.959 0.502 0.767) 1.327 26.465 ( -4.096 2.246 0.041) 4.672 26.515 ( -4.624 -0.077 -0.964) 4.724 26.810 ( -1.059 1.752 0.247) 2.062 26.880 ( 3.340 -0.693 4.515) 5.659 27.876 ( -10.979 -0.061 -2.612) 11.285 28.447 ( 9.023 -1.059 -2.084) 9.320 ======================= Grid point 390 (213/215) ======================= q-point: (-0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.627 -1.348 6.424) 6.762 2.734 ( -6.360 -2.372 5.412) 8.681 3.015 ( 2.030 5.427 7.932) 9.823 3.181 ( 0.026 -10.579 6.276) 12.301 3.516 ( -18.297 6.266 -7.917) 20.898 4.177 ( -2.441 8.526 -4.458) 9.925 4.447 ( -2.491 0.300 -5.041) 5.631 4.600 ( 5.803 -7.314 2.480) 9.661 4.738 ( -0.638 8.814 8.127) 12.006 5.120 ( 4.232 -12.864 1.685) 13.647 5.367 ( 23.046 3.656 8.410) 24.804 5.497 ( 2.468 -5.547 14.802) 15.999 6.181 ( 0.236 5.206 -5.327) 7.452 6.315 ( -0.478 -1.069 -1.009) 1.546 6.576 ( -7.887 7.745 3.673) 11.648 6.748 ( 3.590 1.060 7.992) 8.826 6.941 ( -0.147 12.313 0.224) 12.316 7.233 ( 0.969 -6.034 -4.683) 7.699 7.426 ( 0.391 -2.762 0.691) 2.874 7.818 ( -0.029 4.934 0.441) 4.954 8.064 ( -1.463 11.335 -0.039) 11.429 8.334 ( 1.085 -8.868 0.769) 8.967 8.698 ( 1.231 -9.711 2.143) 10.021 8.937 ( 17.126 -6.642 -5.716) 19.238 9.725 ( 1.054 -1.368 -18.202) 18.283 10.495 ( 0.513 -0.941 -0.951) 1.433 10.825 ( 2.000 -0.074 -2.132) 2.924 10.923 ( 5.598 -2.483 8.743) 10.674 11.943 ( 0.978 3.097 -3.219) 4.573 12.067 ( -3.380 -1.040 6.949) 7.798 12.778 ( -6.887 -1.337 1.244) 7.125 13.179 ( 5.086 -0.267 -5.753) 7.683 13.680 ( -16.263 3.884 -3.654) 17.115 14.383 ( -8.916 -1.727 -12.395) 15.366 15.172 ( 4.008 -2.287 -0.776) 4.680 16.018 ( 3.519 0.893 6.695) 7.616 16.706 ( -4.084 3.096 -2.956) 5.916 16.829 ( -5.300 -0.756 -2.320) 5.835 17.221 ( 0.946 2.068 -0.733) 2.390 17.690 ( 0.970 -1.919 9.572) 9.811 25.013 ( -1.936 0.614 0.910) 2.225 25.199 ( 0.157 0.735 -0.275) 0.800 26.396 ( -3.973 2.555 -0.940) 4.816 26.431 ( -4.060 -0.758 -1.503) 4.395 26.768 ( -4.547 1.139 0.753) 4.747 26.964 ( -1.227 -0.568 3.758) 3.994 27.707 ( -7.174 -0.263 1.720) 7.382 28.554 ( 9.894 -0.915 -5.418) 11.317 ======================= Grid point 391 (214/215) ======================= q-point: (-0.17 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 379 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -6.047 11.942 9.505) 16.417 2.729 ( -5.456 -1.150 7.428) 9.288 3.000 ( -7.791 -2.390 -0.698) 8.179 3.200 ( 1.668 -2.374 3.109) 4.253 3.480 ( 13.427 -0.880 3.668) 13.946 4.054 ( -10.019 0.422 2.380) 10.307 4.292 ( -0.418 2.384 -10.309) 10.589 4.647 ( 3.746 -11.527 -0.904) 12.154 4.926 ( 1.581 -1.177 14.688) 14.820 5.328 ( 8.277 -1.763 8.343) 11.884 5.602 ( -2.828 1.011 8.581) 9.091 5.867 ( 19.590 -0.044 7.514) 20.982 6.110 ( -0.760 5.106 -0.968) 5.252 6.266 ( -0.806 0.111 -5.770) 5.827 6.479 ( -7.243 -2.842 1.602) 7.944 6.863 ( 1.901 5.409 -2.410) 6.219 6.960 ( -0.313 13.847 6.961) 15.501 7.232 ( 1.229 -0.044 3.430) 3.643 7.466 ( 1.366 -6.949 3.033) 7.704 7.761 ( -4.903 2.845 -1.737) 5.929 8.071 ( 3.627 16.120 -1.596) 16.600 8.407 ( 3.511 -4.838 3.996) 7.190 8.698 ( -0.581 -8.493 -2.339) 8.828 9.072 ( 11.483 -10.613 -13.232) 20.484 9.591 ( 6.313 -0.397 -10.130) 11.942 10.429 ( -4.667 -1.023 -3.275) 5.792 10.834 ( 3.314 -0.660 -2.636) 4.286 11.115 ( 4.218 -1.414 5.975) 7.449 11.925 ( 1.231 4.484 -2.430) 5.246 12.084 ( -4.297 -3.307 5.796) 7.937 12.626 ( -10.344 -1.489 -2.411) 10.725 13.050 ( -10.311 0.949 -9.305) 13.921 13.512 ( -1.021 0.578 -0.015) 1.173 14.109 ( -7.948 -1.008 -9.461) 12.398 15.311 ( 10.047 -2.375 4.453) 11.243 16.157 ( 3.768 1.614 6.405) 7.605 16.619 ( -1.690 4.365 -3.954) 6.127 16.710 ( -4.604 -1.552 -4.499) 6.622 17.247 ( 1.412 0.898 2.488) 2.998 17.775 ( -3.111 -1.929 6.641) 7.583 25.003 ( -1.303 0.559 1.806) 2.296 25.185 ( -0.429 0.941 -1.512) 1.832 26.318 ( -3.597 2.248 -2.042) 4.707 26.350 ( -3.370 -0.952 -2.307) 4.194 26.697 ( -5.355 1.045 0.992) 5.546 26.889 ( -9.074 -1.286 -0.995) 9.218 27.749 ( 2.166 -0.079 10.803) 11.018 28.618 ( 8.312 -0.727 -8.676) 12.037 ======================= Grid point 392 (215/215) ======================= q-point: (-0.08 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 2.01e-04 2.01e-04 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -10.387 20.266 5.085) 23.334 2.742 ( -1.839 -5.394 1.746) 5.960 2.973 ( -3.053 0.332 6.896) 7.549 3.171 ( -4.084 -0.592 -5.555) 6.920 3.804 ( 15.958 -8.769 5.065) 18.900 4.044 ( -2.745 -6.560 14.599) 16.239 4.309 ( 15.753 5.971 -4.866) 17.535 4.677 ( 3.653 -11.869 -3.145) 12.811 5.150 ( 2.823 -2.563 14.444) 14.939 5.296 ( -14.510 -1.514 -0.509) 14.598 5.681 ( 0.693 4.698 4.755) 6.720 5.975 ( -8.040 -3.406 -8.119) 11.923 6.176 ( 0.846 4.393 5.336) 6.963 6.243 ( 7.717 -0.947 -0.046) 7.775 6.489 ( 4.229 -2.191 4.745) 6.723 6.785 ( -0.348 1.540 -8.228) 8.378 7.063 ( -1.262 18.830 10.902) 21.795 7.345 ( 1.639 3.860 9.682) 10.551 7.512 ( -0.585 -1.225 2.183) 2.570 7.686 ( -3.201 -2.188 0.850) 3.969 8.104 ( 2.211 16.646 -1.135) 16.831 8.500 ( 5.645 11.594 -3.596) 13.388 8.641 ( -2.246 -13.483 -1.599) 13.762 9.004 ( 5.381 -20.315 -16.038) 26.436 9.695 ( 13.368 -0.109 -1.510) 13.453 10.279 ( -7.332 -1.547 -6.255) 9.761 10.882 ( 7.404 -0.497 -2.855) 7.951 11.125 ( -9.226 0.141 1.927) 9.426 11.945 ( 3.588 4.289 -0.275) 5.599 12.061 ( -5.179 -4.151 3.140) 7.343 12.470 ( -4.307 -1.635 -1.362) 4.804 12.754 ( -11.526 -1.329 -7.678) 13.913 13.563 ( 4.519 -0.075 1.421) 4.738 13.908 ( -6.276 -0.300 -6.305) 8.901 15.570 ( 12.084 -1.145 8.729) 14.951 16.231 ( -3.111 2.735 1.009) 4.264 16.553 ( -1.881 2.917 -1.627) 3.833 16.619 ( 1.355 -0.454 -4.647) 4.862 17.338 ( 5.589 -0.460 4.087) 6.939 17.737 ( -7.995 -2.200 1.949) 8.518 25.015 ( -0.502 0.474 2.589) 2.680 25.153 ( -0.573 1.003 -2.500) 2.754 26.242 ( -2.669 1.770 -1.946) 3.747 26.272 ( -2.493 -1.125 -2.761) 3.886 26.638 ( -3.140 0.954 0.908) 3.405 26.733 ( -6.833 -1.657 -1.627) 7.217 27.965 ( 4.239 0.052 14.614) 15.216 28.599 ( 4.055 -0.498 -11.324) 12.038 =================== 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 3/36288 10.0 3059.646 1183.922 1940.245 0.000 -119.446 0.000 3/36288 20.0 703.188 409.784 724.880 0.000 26.411 0.000 3/36288 30.0 239.518 166.434 277.677 0.000 12.945 0.000 3/36288 40.0 114.301 84.818 141.393 0.000 7.261 0.000 3/36288 50.0 67.387 51.310 85.709 0.000 4.572 0.000 3/36288 60.0 45.394 34.953 58.377 0.000 3.159 0.000 3/36288 70.0 33.374 25.839 43.085 0.000 2.337 0.000 3/36288 80.0 26.047 20.230 33.649 0.000 1.817 0.000 3/36288 90.0 21.210 16.508 27.380 0.000 1.466 0.000 3/36288 100.0 17.821 13.891 22.975 0.000 1.216 0.000 3/36288 110.0 15.335 11.968 19.738 0.000 1.032 0.000 3/36288 120.0 13.444 10.503 17.276 0.000 0.892 0.000 3/36288 130.0 11.963 9.354 15.349 0.000 0.783 0.000 3/36288 140.0 10.776 8.431 13.804 0.000 0.696 0.000 3/36288 150.0 9.803 7.675 12.541 0.000 0.626 0.000 3/36288 160.0 8.994 7.046 11.490 0.000 0.568 0.000 3/36288 170.0 8.310 6.513 10.604 0.000 0.519 0.000 3/36288 180.0 7.725 6.057 9.847 0.000 0.478 0.000 3/36288 190.0 7.219 5.662 9.193 0.000 0.443 0.000 3/36288 200.0 6.777 5.317 8.622 0.000 0.413 0.000 3/36288 210.0 6.387 5.013 8.120 0.000 0.387 0.000 3/36288 220.0 6.042 4.743 7.675 0.000 0.364 0.000 3/36288 230.0 5.733 4.502 7.278 0.000 0.343 0.000 3/36288 240.0 5.455 4.284 6.921 0.000 0.325 0.000 3/36288 250.0 5.204 4.088 6.599 0.000 0.309 0.000 3/36288 260.0 4.976 3.909 6.306 0.000 0.294 0.000 3/36288 270.0 4.768 3.746 6.039 0.000 0.281 0.000 3/36288 280.0 4.577 3.596 5.795 0.000 0.269 0.000 3/36288 290.0 4.402 3.458 5.570 0.000 0.258 0.000 3/36288 300.0 4.240 3.331 5.363 0.000 0.248 0.000 3/36288 310.0 4.090 3.213 5.171 0.000 0.238 0.000 3/36288 320.0 3.950 3.103 4.993 0.000 0.230 0.000 3/36288 330.0 3.820 3.001 4.827 0.000 0.222 0.000 3/36288 340.0 3.699 2.906 4.672 0.000 0.214 0.000 3/36288 350.0 3.585 2.816 4.527 0.000 0.208 0.000 3/36288 360.0 3.479 2.732 4.392 0.000 0.201 0.000 3/36288 370.0 3.378 2.653 4.264 0.000 0.195 0.000 3/36288 380.0 3.284 2.579 4.144 0.000 0.190 0.000 3/36288 390.0 3.195 2.509 4.030 0.000 0.184 0.000 3/36288 400.0 3.110 2.443 3.923 0.000 0.179 0.000 3/36288 410.0 3.031 2.380 3.822 0.000 0.175 0.000 3/36288 420.0 2.955 2.320 3.725 0.000 0.170 0.000 3/36288 430.0 2.883 2.263 3.634 0.000 0.166 0.000 3/36288 440.0 2.814 2.210 3.547 0.000 0.162 0.000 3/36288 450.0 2.749 2.158 3.464 0.000 0.158 0.000 3/36288 460.0 2.687 2.109 3.386 0.000 0.154 0.000 3/36288 470.0 2.628 2.063 3.310 0.000 0.151 0.000 3/36288 480.0 2.571 2.018 3.238 0.000 0.148 0.000 3/36288 490.0 2.517 1.975 3.170 0.000 0.145 0.000 3/36288 500.0 2.465 1.934 3.104 0.000 0.142 0.000 3/36288 510.0 2.415 1.895 3.041 0.000 0.139 0.000 3/36288 520.0 2.367 1.857 2.980 0.000 0.136 0.000 3/36288 530.0 2.321 1.821 2.922 0.000 0.133 0.000 3/36288 540.0 2.277 1.786 2.866 0.000 0.131 0.000 3/36288 550.0 2.235 1.753 2.812 0.000 0.128 0.000 3/36288 560.0 2.194 1.721 2.761 0.000 0.126 0.000 3/36288 570.0 2.154 1.690 2.711 0.000 0.124 0.000 3/36288 580.0 2.116 1.660 2.663 0.000 0.121 0.000 3/36288 590.0 2.080 1.631 2.617 0.000 0.119 0.000 3/36288 600.0 2.044 1.603 2.572 0.000 0.117 0.000 3/36288 610.0 2.010 1.576 2.529 0.000 0.115 0.000 3/36288 620.0 1.977 1.550 2.487 0.000 0.113 0.000 3/36288 630.0 1.945 1.525 2.446 0.000 0.112 0.000 3/36288 640.0 1.914 1.501 2.407 0.000 0.110 0.000 3/36288 650.0 1.884 1.477 2.370 0.000 0.108 0.000 3/36288 660.0 1.855 1.454 2.333 0.000 0.106 0.000 3/36288 670.0 1.827 1.432 2.297 0.000 0.105 0.000 3/36288 680.0 1.800 1.411 2.263 0.000 0.103 0.000 3/36288 690.0 1.774 1.390 2.230 0.000 0.102 0.000 3/36288 700.0 1.748 1.370 2.197 0.000 0.100 0.000 3/36288 710.0 1.723 1.350 2.166 0.000 0.099 0.000 3/36288 720.0 1.699 1.331 2.135 0.000 0.097 0.000 3/36288 730.0 1.675 1.313 2.105 0.000 0.096 0.000 3/36288 740.0 1.652 1.295 2.077 0.000 0.095 0.000 3/36288 750.0 1.630 1.277 2.048 0.000 0.094 0.000 3/36288 760.0 1.608 1.260 2.021 0.000 0.092 0.000 3/36288 770.0 1.587 1.244 1.994 0.000 0.091 0.000 3/36288 780.0 1.567 1.227 1.969 0.000 0.090 0.000 3/36288 790.0 1.547 1.212 1.943 0.000 0.089 0.000 3/36288 800.0 1.527 1.196 1.919 0.000 0.088 0.000 3/36288 810.0 1.508 1.181 1.895 0.000 0.087 0.000 3/36288 820.0 1.490 1.167 1.871 0.000 0.086 0.000 3/36288 830.0 1.471 1.153 1.849 0.000 0.084 0.000 3/36288 840.0 1.454 1.139 1.826 0.000 0.083 0.000 3/36288 850.0 1.437 1.125 1.805 0.000 0.082 0.000 3/36288 860.0 1.420 1.112 1.783 0.000 0.082 0.000 3/36288 870.0 1.403 1.099 1.763 0.000 0.081 0.000 3/36288 880.0 1.387 1.086 1.742 0.000 0.080 0.000 3/36288 890.0 1.371 1.074 1.723 0.000 0.079 0.000 3/36288 900.0 1.356 1.062 1.703 0.000 0.078 0.000 3/36288 910.0 1.341 1.050 1.684 0.000 0.077 0.000 3/36288 920.0 1.326 1.039 1.666 0.000 0.076 0.000 3/36288 930.0 1.312 1.027 1.648 0.000 0.075 0.000 3/36288 940.0 1.298 1.016 1.630 0.000 0.075 0.000 3/36288 950.0 1.284 1.006 1.613 0.000 0.074 0.000 3/36288 960.0 1.271 0.995 1.596 0.000 0.073 0.000 3/36288 970.0 1.258 0.985 1.579 0.000 0.072 0.000 3/36288 980.0 1.245 0.975 1.563 0.000 0.072 0.000 3/36288 990.0 1.232 0.965 1.547 0.000 0.071 0.000 3/36288 1000.0 1.220 0.955 1.532 0.000 0.070 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m1297.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:40:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|