----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:12:04]------------------------- Compiled with OpenMP support (max 128 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: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.453740267673741 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236884439999998 0.000000000000000 c -0.705354521737838 0.000000000000000 6.944064151276728 Atomic positions (fractional): *1 Cu 0.43341288257777 0.66175819389466 0.95545619887571 63.546 2 Cu 0.56658711742223 0.33824180610534 0.04454380112429 63.546 3 Cu 0.43341288257777 0.83824180610534 0.45545619887571 63.546 4 Cu 0.56658711742223 0.16175819389466 0.54454380112429 63.546 *5 Se 0.92504436238642 0.22194309799252 0.50197586902113 78.960 6 Se 0.92504436238642 0.27805690200748 0.00197586902113 78.960 7 Se 0.07495563761358 0.72194309799252 0.99802413097887 78.960 8 Se 0.07495563761358 0.77805690200748 0.49802413097887 78.960 *9 Se 0.60659910099408 0.60752465650531 0.28123713085671 78.960 10 Se 0.39340089900592 0.10752465650531 0.21876286914329 78.960 11 Se 0.39340089900592 0.39247534349469 0.71876286914329 78.960 12 Se 0.60659910099408 0.89247534349469 0.78123713085671 78.960 *13 Tb 0.19510242808341 0.45760426248919 0.30058554830785 158.925 14 Tb 0.80489757191659 0.95760426248919 0.19941445169215 158.925 15 Tb 0.80489757191659 0.54239573751081 0.69941445169215 158.925 16 Tb 0.19510242808341 0.04239573751081 0.80058554830785 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.453740267673741 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236884439999998 0.000000000000000 c -0.705354521737838 0.000000000000000 6.944064151276728 Atomic positions (fractional): *1 Cu 0.43341288257777 0.66175819389466 0.95545619887571 63.546 > 1 2 Cu 0.56658711742223 0.33824180610534 0.04454380112429 63.546 > 2 3 Cu 0.43341288257777 0.83824180610534 0.45545619887571 63.546 > 3 4 Cu 0.56658711742223 0.16175819389466 0.54454380112429 63.546 > 4 *5 Se 0.92504436238642 0.22194309799252 0.50197586902113 78.960 > 5 6 Se 0.92504436238642 0.27805690200748 0.00197586902113 78.960 > 6 7 Se 0.07495563761358 0.72194309799252 0.99802413097887 78.960 > 7 8 Se 0.07495563761358 0.77805690200748 0.49802413097887 78.960 > 8 *9 Se 0.60659910099408 0.60752465650531 0.28123713085671 78.960 > 9 10 Se 0.39340089900592 0.10752465650531 0.21876286914329 78.960 > 10 11 Se 0.39340089900592 0.39247534349469 0.71876286914329 78.960 > 11 12 Se 0.60659910099408 0.89247534349469 0.78123713085671 78.960 > 12 *13 Tb 0.19510242808341 0.45760426248919 0.30058554830785 158.925 > 13 14 Tb 0.80489757191659 0.95760426248919 0.19941445169215 158.925 > 14 15 Tb 0.80489757191659 0.54239573751081 0.69941445169215 158.925 > 15 16 Tb 0.19510242808341 0.04239573751081 0.80058554830785 158.925 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.907480535347482 0.000000000000000 0.000000000000000 b 0.000000000000000 14.473768879999996 0.000000000000000 c -1.410709043475676 0.000000000000000 13.888128302553456 Atomic positions (fractional): *1 Cu 0.21670644128888 0.33087909694733 0.47772809943786 63.546 > 1 2 Cu 0.71670644128888 0.33087909694733 0.47772809943786 63.546 > 1 3 Cu 0.21670644128888 0.83087909694733 0.47772809943786 63.546 > 1 4 Cu 0.71670644128888 0.83087909694733 0.47772809943786 63.546 > 1 5 Cu 0.21670644128888 0.33087909694733 0.97772809943786 63.546 > 1 6 Cu 0.71670644128888 0.33087909694733 0.97772809943786 63.546 > 1 7 Cu 0.21670644128888 0.83087909694733 0.97772809943786 63.546 > 1 8 Cu 0.71670644128888 0.83087909694733 0.97772809943786 63.546 > 1 9 Cu 0.28329355871112 0.16912090305267 0.02227190056214 63.546 > 2 10 Cu 0.78329355871112 0.16912090305267 0.02227190056214 63.546 > 2 11 Cu 0.28329355871112 0.66912090305267 0.02227190056214 63.546 > 2 12 Cu 0.78329355871112 0.66912090305267 0.02227190056214 63.546 > 2 13 Cu 0.28329355871112 0.16912090305267 0.52227190056214 63.546 > 2 14 Cu 0.78329355871112 0.16912090305267 0.52227190056214 63.546 > 2 15 Cu 0.28329355871112 0.66912090305267 0.52227190056214 63.546 > 2 16 Cu 0.78329355871112 0.66912090305267 0.52227190056214 63.546 > 2 17 Cu 0.21670644128888 0.41912090305267 0.22772809943786 63.546 > 3 18 Cu 0.71670644128888 0.41912090305267 0.22772809943786 63.546 > 3 19 Cu 0.21670644128888 0.91912090305267 0.22772809943786 63.546 > 3 20 Cu 0.71670644128888 0.91912090305267 0.22772809943786 63.546 > 3 21 Cu 0.21670644128888 0.41912090305267 0.72772809943786 63.546 > 3 22 Cu 0.71670644128888 0.41912090305267 0.72772809943786 63.546 > 3 23 Cu 0.21670644128888 0.91912090305267 0.72772809943786 63.546 > 3 24 Cu 0.71670644128888 0.91912090305267 0.72772809943786 63.546 > 3 25 Cu 0.28329355871112 0.08087909694733 0.27227190056214 63.546 > 4 26 Cu 0.78329355871112 0.08087909694733 0.27227190056214 63.546 > 4 27 Cu 0.28329355871112 0.58087909694733 0.27227190056214 63.546 > 4 28 Cu 0.78329355871112 0.58087909694733 0.27227190056214 63.546 > 4 29 Cu 0.28329355871112 0.08087909694733 0.77227190056214 63.546 > 4 30 Cu 0.78329355871112 0.08087909694733 0.77227190056214 63.546 > 4 31 Cu 0.28329355871112 0.58087909694733 0.77227190056214 63.546 > 4 32 Cu 0.78329355871112 0.58087909694733 0.77227190056214 63.546 > 4 *33 Se 0.46252218119321 0.11097154899626 0.25098793451057 78.960 > 5 34 Se 0.96252218119321 0.11097154899626 0.25098793451057 78.960 > 5 35 Se 0.46252218119321 0.61097154899626 0.25098793451057 78.960 > 5 36 Se 0.96252218119321 0.61097154899626 0.25098793451057 78.960 > 5 37 Se 0.46252218119321 0.11097154899626 0.75098793451057 78.960 > 5 38 Se 0.96252218119321 0.11097154899626 0.75098793451057 78.960 > 5 39 Se 0.46252218119321 0.61097154899626 0.75098793451057 78.960 > 5 40 Se 0.96252218119321 0.61097154899626 0.75098793451057 78.960 > 5 41 Se 0.46252218119321 0.13902845100374 0.00098793451057 78.960 > 6 42 Se 0.96252218119321 0.13902845100374 0.00098793451057 78.960 > 6 43 Se 0.46252218119321 0.63902845100374 0.00098793451057 78.960 > 6 44 Se 0.96252218119321 0.63902845100374 0.00098793451057 78.960 > 6 45 Se 0.46252218119321 0.13902845100374 0.50098793451057 78.960 > 6 46 Se 0.96252218119321 0.13902845100374 0.50098793451057 78.960 > 6 47 Se 0.46252218119321 0.63902845100374 0.50098793451057 78.960 > 6 48 Se 0.96252218119321 0.63902845100374 0.50098793451057 78.960 > 6 49 Se 0.03747781880679 0.36097154899626 0.49901206548943 78.960 > 7 50 Se 0.53747781880679 0.36097154899626 0.49901206548943 78.960 > 7 51 Se 0.03747781880679 0.86097154899626 0.49901206548943 78.960 > 7 52 Se 0.53747781880679 0.86097154899626 0.49901206548943 78.960 > 7 53 Se 0.03747781880679 0.36097154899626 0.99901206548943 78.960 > 7 54 Se 0.53747781880679 0.36097154899626 0.99901206548943 78.960 > 7 55 Se 0.03747781880679 0.86097154899626 0.99901206548943 78.960 > 7 56 Se 0.53747781880679 0.86097154899626 0.99901206548943 78.960 > 7 57 Se 0.03747781880679 0.38902845100374 0.24901206548943 78.960 > 8 58 Se 0.53747781880679 0.38902845100374 0.24901206548943 78.960 > 8 59 Se 0.03747781880679 0.88902845100374 0.24901206548943 78.960 > 8 60 Se 0.53747781880679 0.88902845100374 0.24901206548943 78.960 > 8 61 Se 0.03747781880679 0.38902845100374 0.74901206548943 78.960 > 8 62 Se 0.53747781880679 0.38902845100374 0.74901206548943 78.960 > 8 63 Se 0.03747781880679 0.88902845100374 0.74901206548943 78.960 > 8 64 Se 0.53747781880679 0.88902845100374 0.74901206548943 78.960 > 8 *65 Se 0.30329955049704 0.30376232825265 0.14061856542836 78.960 > 9 66 Se 0.80329955049704 0.30376232825265 0.14061856542836 78.960 > 9 67 Se 0.30329955049704 0.80376232825265 0.14061856542836 78.960 > 9 68 Se 0.80329955049704 0.80376232825265 0.14061856542836 78.960 > 9 69 Se 0.30329955049704 0.30376232825265 0.64061856542836 78.960 > 9 70 Se 0.80329955049704 0.30376232825265 0.64061856542836 78.960 > 9 71 Se 0.30329955049704 0.80376232825265 0.64061856542836 78.960 > 9 72 Se 0.80329955049704 0.80376232825265 0.64061856542836 78.960 > 9 73 Se 0.19670044950296 0.05376232825265 0.10938143457164 78.960 > 10 74 Se 0.69670044950296 0.05376232825265 0.10938143457164 78.960 > 10 75 Se 0.19670044950296 0.55376232825265 0.10938143457164 78.960 > 10 76 Se 0.69670044950296 0.55376232825265 0.10938143457164 78.960 > 10 77 Se 0.19670044950296 0.05376232825265 0.60938143457164 78.960 > 10 78 Se 0.69670044950296 0.05376232825265 0.60938143457164 78.960 > 10 79 Se 0.19670044950296 0.55376232825265 0.60938143457164 78.960 > 10 80 Se 0.69670044950296 0.55376232825265 0.60938143457164 78.960 > 10 81 Se 0.19670044950296 0.19623767174735 0.35938143457164 78.960 > 11 82 Se 0.69670044950296 0.19623767174735 0.35938143457164 78.960 > 11 83 Se 0.19670044950296 0.69623767174735 0.35938143457164 78.960 > 11 84 Se 0.69670044950296 0.69623767174735 0.35938143457164 78.960 > 11 85 Se 0.19670044950296 0.19623767174735 0.85938143457164 78.960 > 11 86 Se 0.69670044950296 0.19623767174735 0.85938143457164 78.960 > 11 87 Se 0.19670044950296 0.69623767174735 0.85938143457164 78.960 > 11 88 Se 0.69670044950296 0.69623767174735 0.85938143457164 78.960 > 11 89 Se 0.30329955049704 0.44623767174735 0.39061856542836 78.960 > 12 90 Se 0.80329955049704 0.44623767174735 0.39061856542836 78.960 > 12 91 Se 0.30329955049704 0.94623767174735 0.39061856542836 78.960 > 12 92 Se 0.80329955049704 0.94623767174735 0.39061856542836 78.960 > 12 93 Se 0.30329955049704 0.44623767174735 0.89061856542836 78.960 > 12 94 Se 0.80329955049704 0.44623767174735 0.89061856542836 78.960 > 12 95 Se 0.30329955049704 0.94623767174735 0.89061856542836 78.960 > 12 96 Se 0.80329955049704 0.94623767174735 0.89061856542836 78.960 > 12 *97 Tb 0.09755121404171 0.22880213124459 0.15029277415392 158.925 > 13 98 Tb 0.59755121404171 0.22880213124459 0.15029277415392 158.925 > 13 99 Tb 0.09755121404171 0.72880213124459 0.15029277415392 158.925 > 13 100 Tb 0.59755121404171 0.72880213124459 0.15029277415392 158.925 > 13 101 Tb 0.09755121404171 0.22880213124459 0.65029277415392 158.925 > 13 102 Tb 0.59755121404171 0.22880213124459 0.65029277415392 158.925 > 13 103 Tb 0.09755121404171 0.72880213124459 0.65029277415392 158.925 > 13 104 Tb 0.59755121404171 0.72880213124459 0.65029277415392 158.925 > 13 105 Tb 0.40244878595829 0.47880213124459 0.09970722584608 158.925 > 14 106 Tb 0.90244878595829 0.47880213124459 0.09970722584608 158.925 > 14 107 Tb 0.40244878595829 0.97880213124459 0.09970722584608 158.925 > 14 108 Tb 0.90244878595829 0.97880213124459 0.09970722584608 158.925 > 14 109 Tb 0.40244878595829 0.47880213124459 0.59970722584608 158.925 > 14 110 Tb 0.90244878595829 0.47880213124459 0.59970722584608 158.925 > 14 111 Tb 0.40244878595829 0.97880213124459 0.59970722584608 158.925 > 14 112 Tb 0.90244878595829 0.97880213124459 0.59970722584608 158.925 > 14 113 Tb 0.40244878595829 0.27119786875541 0.34970722584608 158.925 > 15 114 Tb 0.90244878595829 0.27119786875541 0.34970722584608 158.925 > 15 115 Tb 0.40244878595829 0.77119786875541 0.34970722584608 158.925 > 15 116 Tb 0.90244878595829 0.77119786875541 0.34970722584608 158.925 > 15 117 Tb 0.40244878595829 0.27119786875541 0.84970722584608 158.925 > 15 118 Tb 0.90244878595829 0.27119786875541 0.84970722584608 158.925 > 15 119 Tb 0.40244878595829 0.77119786875541 0.84970722584608 158.925 > 15 120 Tb 0.90244878595829 0.77119786875541 0.84970722584608 158.925 > 15 121 Tb 0.09755121404171 0.02119786875541 0.40029277415392 158.925 > 16 122 Tb 0.59755121404171 0.02119786875541 0.40029277415392 158.925 > 16 123 Tb 0.09755121404171 0.52119786875541 0.40029277415392 158.925 > 16 124 Tb 0.59755121404171 0.52119786875541 0.40029277415392 158.925 > 16 125 Tb 0.09755121404171 0.02119786875541 0.90029277415392 158.925 > 16 126 Tb 0.59755121404171 0.02119786875541 0.90029277415392 158.925 > 16 127 Tb 0.09755121404171 0.52119786875541 0.90029277415392 158.925 > 16 128 Tb 0.59755121404171 0.52119786875541 0.90029277415392 158.925 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.9945662 0.0000000 1.5816435 0.0000000 14.3388847 0.0000000 1.5816425 0.0000000 14.6603047 -------------------------- Born effective charges -------------------------- 1 Cu 0.5273659 0.0758885 0.1802915 0.0589195 0.8053874 0.2269401 0.0887472 0.2179929 1.1143010 2 Cu 0.5273659 0.0758885 0.1802915 0.0589195 0.8053874 0.2269401 0.0887472 0.2179929 1.1143010 3 Cu 0.5273659 -0.0758885 0.1802915 -0.0589195 0.8053874 -0.2269401 0.0887472 -0.2179929 1.1143010 4 Cu 0.5273659 -0.0758885 0.1802915 -0.0589195 0.8053874 -0.2269401 0.0887472 -0.2179929 1.1143010 5 Se -2.4148723 -0.1829089 0.2958095 -0.1441022 -3.0259885 -0.2202980 -0.1283675 -0.2909338 -2.1418927 6 Se -2.4148723 0.1829089 0.2958095 0.1441022 -3.0259885 0.2202980 -0.1283675 0.2909338 -2.1418927 7 Se -2.4148723 0.1829089 0.2958095 0.1441022 -3.0259885 0.2202980 -0.1283675 0.2909338 -2.1418927 8 Se -2.4148723 -0.1829089 0.2958095 -0.1441022 -3.0259885 -0.2202980 -0.1283675 -0.2909338 -2.1418927 9 Se -2.1642862 -0.4313182 -0.5096710 -0.5162593 -2.5581921 0.1057985 -0.0983157 0.2121299 -2.9903863 10 Se -2.1642862 0.4313182 -0.5096710 0.5162593 -2.5581921 -0.1057985 -0.0983157 -0.2121299 -2.9903863 11 Se -2.1642862 -0.4313182 -0.5096710 -0.5162593 -2.5581921 0.1057985 -0.0983157 0.2121299 -2.9903863 12 Se -2.1642862 0.4313182 -0.5096710 0.5162593 -2.5581921 -0.1057985 -0.0983157 -0.2121299 -2.9903863 13 Tb 4.0517926 0.1466617 0.0335699 0.1362473 4.7787932 -0.0697975 0.1379360 -0.3235843 4.0179780 14 Tb 4.0517926 -0.1466617 0.0335699 -0.1362473 4.7787932 0.0697975 0.1379360 0.3235843 4.0179780 15 Tb 4.0517926 0.1466617 0.0335699 0.1362473 4.7787932 -0.0697975 0.1379360 -0.3235843 4.0179780 16 Tb 4.0517926 -0.1466617 0.0335699 -0.1362473 4.7787932 0.0697975 0.1379360 0.3235843 4.0179780 ---------------------------------------------------------------------------- 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: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 480 - Time: 1.702 Solver_block: 200 / 480 - Time: 1.149 Solver_block: 300 / 480 - Time: 1.828 Solver_block: 400 / 480 - Time: 1.306 Solver_block: 480 / 480 - Time: 0.889 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.294 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), 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 2026-01-08 00:12:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:12:50]------------------------- Compiled with OpenMP support (max 128 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.453740267673741 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236884439999998 0.000000000000000 c -0.705354521737838 0.000000000000000 6.944064151276728 Atomic positions (fractional): 1 Cu 0.43341288257777 0.66175819389466 0.95545619887571 63.546 2 Cu 0.56658711742223 0.33824180610534 0.04454380112429 63.546 3 Cu 0.43341288257777 0.83824180610534 0.45545619887571 63.546 4 Cu 0.56658711742223 0.16175819389466 0.54454380112429 63.546 5 Se 0.92504436238642 0.22194309799252 0.50197586902113 78.960 6 Se 0.92504436238642 0.27805690200748 0.00197586902113 78.960 7 Se 0.07495563761358 0.72194309799252 0.99802413097887 78.960 8 Se 0.07495563761358 0.77805690200748 0.49802413097887 78.960 9 Se 0.60659910099408 0.60752465650531 0.28123713085671 78.960 10 Se 0.39340089900592 0.10752465650531 0.21876286914329 78.960 11 Se 0.39340089900592 0.39247534349469 0.71876286914329 78.960 12 Se 0.60659910099408 0.89247534349469 0.78123713085671 78.960 13 Tb 0.19510242808341 0.45760426248919 0.30058554830785 158.925 14 Tb 0.80489757191659 0.95760426248919 0.19941445169215 158.925 15 Tb 0.80489757191659 0.54239573751081 0.69941445169215 158.925 16 Tb 0.19510242808341 0.04239573751081 0.80058554830785 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.907480535347482 0.000000000000000 0.000000000000000 b 0.000000000000000 14.473768879999996 0.000000000000000 c -1.410709043475676 0.000000000000000 13.888128302553456 Atomic positions (fractional): 1 Cu 0.21670644128888 0.33087909694733 0.47772809943786 63.546 > 1 2 Cu 0.71670644128888 0.33087909694733 0.47772809943786 63.546 > 1 3 Cu 0.21670644128888 0.83087909694733 0.47772809943786 63.546 > 1 4 Cu 0.71670644128888 0.83087909694733 0.47772809943786 63.546 > 1 5 Cu 0.21670644128888 0.33087909694733 0.97772809943786 63.546 > 1 6 Cu 0.71670644128888 0.33087909694733 0.97772809943786 63.546 > 1 7 Cu 0.21670644128888 0.83087909694733 0.97772809943786 63.546 > 1 8 Cu 0.71670644128888 0.83087909694733 0.97772809943786 63.546 > 1 9 Cu 0.28329355871112 0.16912090305267 0.02227190056214 63.546 > 9 10 Cu 0.78329355871112 0.16912090305267 0.02227190056214 63.546 > 9 11 Cu 0.28329355871112 0.66912090305267 0.02227190056214 63.546 > 9 12 Cu 0.78329355871112 0.66912090305267 0.02227190056214 63.546 > 9 13 Cu 0.28329355871112 0.16912090305267 0.52227190056214 63.546 > 9 14 Cu 0.78329355871112 0.16912090305267 0.52227190056214 63.546 > 9 15 Cu 0.28329355871112 0.66912090305267 0.52227190056214 63.546 > 9 16 Cu 0.78329355871112 0.66912090305267 0.52227190056214 63.546 > 9 17 Cu 0.21670644128888 0.41912090305267 0.22772809943786 63.546 > 17 18 Cu 0.71670644128888 0.41912090305267 0.22772809943786 63.546 > 17 19 Cu 0.21670644128888 0.91912090305267 0.22772809943786 63.546 > 17 20 Cu 0.71670644128888 0.91912090305267 0.22772809943786 63.546 > 17 21 Cu 0.21670644128888 0.41912090305267 0.72772809943786 63.546 > 17 22 Cu 0.71670644128888 0.41912090305267 0.72772809943786 63.546 > 17 23 Cu 0.21670644128888 0.91912090305267 0.72772809943786 63.546 > 17 24 Cu 0.71670644128888 0.91912090305267 0.72772809943786 63.546 > 17 25 Cu 0.28329355871112 0.08087909694733 0.27227190056214 63.546 > 25 26 Cu 0.78329355871112 0.08087909694733 0.27227190056214 63.546 > 25 27 Cu 0.28329355871112 0.58087909694733 0.27227190056214 63.546 > 25 28 Cu 0.78329355871112 0.58087909694733 0.27227190056214 63.546 > 25 29 Cu 0.28329355871112 0.08087909694733 0.77227190056214 63.546 > 25 30 Cu 0.78329355871112 0.08087909694733 0.77227190056214 63.546 > 25 31 Cu 0.28329355871112 0.58087909694733 0.77227190056214 63.546 > 25 32 Cu 0.78329355871112 0.58087909694733 0.77227190056214 63.546 > 25 33 Se 0.46252218119321 0.11097154899626 0.25098793451057 78.960 > 33 34 Se 0.96252218119321 0.11097154899626 0.25098793451057 78.960 > 33 35 Se 0.46252218119321 0.61097154899626 0.25098793451057 78.960 > 33 36 Se 0.96252218119321 0.61097154899626 0.25098793451057 78.960 > 33 37 Se 0.46252218119321 0.11097154899626 0.75098793451057 78.960 > 33 38 Se 0.96252218119321 0.11097154899626 0.75098793451057 78.960 > 33 39 Se 0.46252218119321 0.61097154899626 0.75098793451057 78.960 > 33 40 Se 0.96252218119321 0.61097154899626 0.75098793451057 78.960 > 33 41 Se 0.46252218119321 0.13902845100374 0.00098793451057 78.960 > 41 42 Se 0.96252218119321 0.13902845100374 0.00098793451057 78.960 > 41 43 Se 0.46252218119321 0.63902845100374 0.00098793451057 78.960 > 41 44 Se 0.96252218119321 0.63902845100374 0.00098793451057 78.960 > 41 45 Se 0.46252218119321 0.13902845100374 0.50098793451057 78.960 > 41 46 Se 0.96252218119321 0.13902845100374 0.50098793451057 78.960 > 41 47 Se 0.46252218119321 0.63902845100374 0.50098793451057 78.960 > 41 48 Se 0.96252218119321 0.63902845100374 0.50098793451057 78.960 > 41 49 Se 0.03747781880679 0.36097154899626 0.49901206548943 78.960 > 49 50 Se 0.53747781880679 0.36097154899626 0.49901206548943 78.960 > 49 51 Se 0.03747781880679 0.86097154899626 0.49901206548943 78.960 > 49 52 Se 0.53747781880679 0.86097154899626 0.49901206548943 78.960 > 49 53 Se 0.03747781880679 0.36097154899626 0.99901206548943 78.960 > 49 54 Se 0.53747781880679 0.36097154899626 0.99901206548943 78.960 > 49 55 Se 0.03747781880679 0.86097154899626 0.99901206548943 78.960 > 49 56 Se 0.53747781880679 0.86097154899626 0.99901206548943 78.960 > 49 57 Se 0.03747781880679 0.38902845100374 0.24901206548943 78.960 > 57 58 Se 0.53747781880679 0.38902845100374 0.24901206548943 78.960 > 57 59 Se 0.03747781880679 0.88902845100374 0.24901206548943 78.960 > 57 60 Se 0.53747781880679 0.88902845100374 0.24901206548943 78.960 > 57 61 Se 0.03747781880679 0.38902845100374 0.74901206548943 78.960 > 57 62 Se 0.53747781880679 0.38902845100374 0.74901206548943 78.960 > 57 63 Se 0.03747781880679 0.88902845100374 0.74901206548943 78.960 > 57 64 Se 0.53747781880679 0.88902845100374 0.74901206548943 78.960 > 57 65 Se 0.30329955049704 0.30376232825265 0.14061856542836 78.960 > 65 66 Se 0.80329955049704 0.30376232825265 0.14061856542836 78.960 > 65 67 Se 0.30329955049704 0.80376232825265 0.14061856542836 78.960 > 65 68 Se 0.80329955049704 0.80376232825265 0.14061856542836 78.960 > 65 69 Se 0.30329955049704 0.30376232825265 0.64061856542836 78.960 > 65 70 Se 0.80329955049704 0.30376232825265 0.64061856542836 78.960 > 65 71 Se 0.30329955049704 0.80376232825265 0.64061856542836 78.960 > 65 72 Se 0.80329955049704 0.80376232825265 0.64061856542836 78.960 > 65 73 Se 0.19670044950296 0.05376232825265 0.10938143457164 78.960 > 73 74 Se 0.69670044950296 0.05376232825265 0.10938143457164 78.960 > 73 75 Se 0.19670044950296 0.55376232825265 0.10938143457164 78.960 > 73 76 Se 0.69670044950296 0.55376232825265 0.10938143457164 78.960 > 73 77 Se 0.19670044950296 0.05376232825265 0.60938143457164 78.960 > 73 78 Se 0.69670044950296 0.05376232825265 0.60938143457164 78.960 > 73 79 Se 0.19670044950296 0.55376232825265 0.60938143457164 78.960 > 73 80 Se 0.69670044950296 0.55376232825265 0.60938143457164 78.960 > 73 81 Se 0.19670044950296 0.19623767174735 0.35938143457164 78.960 > 81 82 Se 0.69670044950296 0.19623767174735 0.35938143457164 78.960 > 81 83 Se 0.19670044950296 0.69623767174735 0.35938143457164 78.960 > 81 84 Se 0.69670044950296 0.69623767174735 0.35938143457164 78.960 > 81 85 Se 0.19670044950296 0.19623767174735 0.85938143457164 78.960 > 81 86 Se 0.69670044950296 0.19623767174735 0.85938143457164 78.960 > 81 87 Se 0.19670044950296 0.69623767174735 0.85938143457164 78.960 > 81 88 Se 0.69670044950296 0.69623767174735 0.85938143457164 78.960 > 81 89 Se 0.30329955049704 0.44623767174735 0.39061856542836 78.960 > 89 90 Se 0.80329955049704 0.44623767174735 0.39061856542836 78.960 > 89 91 Se 0.30329955049704 0.94623767174735 0.39061856542836 78.960 > 89 92 Se 0.80329955049704 0.94623767174735 0.39061856542836 78.960 > 89 93 Se 0.30329955049704 0.44623767174735 0.89061856542836 78.960 > 89 94 Se 0.80329955049704 0.44623767174735 0.89061856542836 78.960 > 89 95 Se 0.30329955049704 0.94623767174735 0.89061856542836 78.960 > 89 96 Se 0.80329955049704 0.94623767174735 0.89061856542836 78.960 > 89 97 Tb 0.09755121404171 0.22880213124459 0.15029277415392 158.925 > 97 98 Tb 0.59755121404171 0.22880213124459 0.15029277415392 158.925 > 97 99 Tb 0.09755121404171 0.72880213124459 0.15029277415392 158.925 > 97 100 Tb 0.59755121404171 0.72880213124459 0.15029277415392 158.925 > 97 101 Tb 0.09755121404171 0.22880213124459 0.65029277415392 158.925 > 97 102 Tb 0.59755121404171 0.22880213124459 0.65029277415392 158.925 > 97 103 Tb 0.09755121404171 0.72880213124459 0.65029277415392 158.925 > 97 104 Tb 0.59755121404171 0.72880213124459 0.65029277415392 158.925 > 97 105 Tb 0.40244878595829 0.47880213124459 0.09970722584608 158.925 > 105 106 Tb 0.90244878595829 0.47880213124459 0.09970722584608 158.925 > 105 107 Tb 0.40244878595829 0.97880213124459 0.09970722584608 158.925 > 105 108 Tb 0.90244878595829 0.97880213124459 0.09970722584608 158.925 > 105 109 Tb 0.40244878595829 0.47880213124459 0.59970722584608 158.925 > 105 110 Tb 0.90244878595829 0.47880213124459 0.59970722584608 158.925 > 105 111 Tb 0.40244878595829 0.97880213124459 0.59970722584608 158.925 > 105 112 Tb 0.90244878595829 0.97880213124459 0.59970722584608 158.925 > 105 113 Tb 0.40244878595829 0.27119786875541 0.34970722584608 158.925 > 113 114 Tb 0.90244878595829 0.27119786875541 0.34970722584608 158.925 > 113 115 Tb 0.40244878595829 0.77119786875541 0.34970722584608 158.925 > 113 116 Tb 0.90244878595829 0.77119786875541 0.34970722584608 158.925 > 113 117 Tb 0.40244878595829 0.27119786875541 0.84970722584608 158.925 > 113 118 Tb 0.90244878595829 0.27119786875541 0.84970722584608 158.925 > 113 119 Tb 0.40244878595829 0.77119786875541 0.84970722584608 158.925 > 113 120 Tb 0.90244878595829 0.77119786875541 0.84970722584608 158.925 > 113 121 Tb 0.09755121404171 0.02119786875541 0.40029277415392 158.925 > 121 122 Tb 0.59755121404171 0.02119786875541 0.40029277415392 158.925 > 121 123 Tb 0.09755121404171 0.52119786875541 0.40029277415392 158.925 > 121 124 Tb 0.59755121404171 0.52119786875541 0.40029277415392 158.925 > 121 125 Tb 0.09755121404171 0.02119786875541 0.90029277415392 158.925 > 121 126 Tb 0.59755121404171 0.02119786875541 0.90029277415392 158.925 > 121 127 Tb 0.09755121404171 0.52119786875541 0.90029277415392 158.925 > 121 128 Tb 0.59755121404171 0.52119786875541 0.90029277415392 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.9945662 0.0000000 1.5816435 0.0000000 14.3388847 0.0000000 1.5816425 0.0000000 14.6603047 -------------------------- Born effective charges -------------------------- 1 Cu 0.5273659 0.0758885 0.1802915 0.0589195 0.8053874 0.2269401 0.0887472 0.2179929 1.1143010 2 Cu 0.5273659 0.0758885 0.1802915 0.0589195 0.8053874 0.2269401 0.0887472 0.2179929 1.1143010 3 Cu 0.5273659 -0.0758885 0.1802915 -0.0589195 0.8053874 -0.2269401 0.0887472 -0.2179929 1.1143010 4 Cu 0.5273659 -0.0758885 0.1802915 -0.0589195 0.8053874 -0.2269401 0.0887472 -0.2179929 1.1143010 5 Se -2.4148723 -0.1829089 0.2958095 -0.1441022 -3.0259885 -0.2202980 -0.1283675 -0.2909338 -2.1418927 6 Se -2.4148723 0.1829089 0.2958095 0.1441022 -3.0259885 0.2202980 -0.1283675 0.2909338 -2.1418927 7 Se -2.4148723 0.1829089 0.2958095 0.1441022 -3.0259885 0.2202980 -0.1283675 0.2909338 -2.1418927 8 Se -2.4148723 -0.1829089 0.2958095 -0.1441022 -3.0259885 -0.2202980 -0.1283675 -0.2909338 -2.1418927 9 Se -2.1642862 -0.4313182 -0.5096710 -0.5162593 -2.5581921 0.1057985 -0.0983157 0.2121299 -2.9903863 10 Se -2.1642862 0.4313182 -0.5096710 0.5162593 -2.5581921 -0.1057985 -0.0983157 -0.2121299 -2.9903863 11 Se -2.1642862 -0.4313182 -0.5096710 -0.5162593 -2.5581921 0.1057985 -0.0983157 0.2121299 -2.9903863 12 Se -2.1642862 0.4313182 -0.5096710 0.5162593 -2.5581921 -0.1057985 -0.0983157 -0.2121299 -2.9903863 13 Tb 4.0517926 0.1466617 0.0335699 0.1362473 4.7787932 -0.0697975 0.1379360 -0.3235843 4.0179780 14 Tb 4.0517926 -0.1466617 0.0335699 -0.1362473 4.7787932 0.0697975 0.1379360 0.3235843 4.0179780 15 Tb 4.0517926 0.1466617 0.0335699 0.1362473 4.7787932 -0.0697975 0.1379360 -0.3235843 4.0179780 16 Tb 4.0517926 -0.1466617 0.0335699 -0.1362473 4.7787932 0.0697975 0.1379360 0.3235843 4.0179780 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] 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] [-0.0010 0.0000 0.0099] [ 0.0010 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) 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 2026-01-08 00:13:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:13:14]------------------------- Compiled with OpenMP support (max 128 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.453740267673741 0.000000000000000 0.000000000000000 b 0.000000000000000 7.236884439999998 0.000000000000000 c -0.705354521737838 0.000000000000000 6.944064151276728 Atomic positions (fractional): 1 Cu 0.43341288257777 0.66175819389466 0.95545619887571 63.546 2 Cu 0.56658711742223 0.33824180610534 0.04454380112429 63.546 3 Cu 0.43341288257777 0.83824180610534 0.45545619887571 63.546 4 Cu 0.56658711742223 0.16175819389466 0.54454380112429 63.546 5 Se 0.92504436238642 0.22194309799252 0.50197586902113 78.960 6 Se 0.92504436238642 0.27805690200748 0.00197586902113 78.960 7 Se 0.07495563761358 0.72194309799252 0.99802413097887 78.960 8 Se 0.07495563761358 0.77805690200748 0.49802413097887 78.960 9 Se 0.60659910099408 0.60752465650531 0.28123713085671 78.960 10 Se 0.39340089900592 0.10752465650531 0.21876286914329 78.960 11 Se 0.39340089900592 0.39247534349469 0.71876286914329 78.960 12 Se 0.60659910099408 0.89247534349469 0.78123713085671 78.960 13 Tb 0.19510242808341 0.45760426248919 0.30058554830785 158.925 14 Tb 0.80489757191659 0.95760426248919 0.19941445169215 158.925 15 Tb 0.80489757191659 0.54239573751081 0.69941445169215 158.925 16 Tb 0.19510242808341 0.04239573751081 0.80058554830785 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.907480535347482 0.000000000000000 0.000000000000000 b 0.000000000000000 14.473768879999996 0.000000000000000 c -1.410709043475676 0.000000000000000 13.888128302553456 Atomic positions (fractional): 1 Cu 0.21670644128888 0.33087909694733 0.47772809943786 63.546 > 1 2 Cu 0.71670644128888 0.33087909694733 0.47772809943786 63.546 > 1 3 Cu 0.21670644128888 0.83087909694733 0.47772809943786 63.546 > 1 4 Cu 0.71670644128888 0.83087909694733 0.47772809943786 63.546 > 1 5 Cu 0.21670644128888 0.33087909694733 0.97772809943786 63.546 > 1 6 Cu 0.71670644128888 0.33087909694733 0.97772809943786 63.546 > 1 7 Cu 0.21670644128888 0.83087909694733 0.97772809943786 63.546 > 1 8 Cu 0.71670644128888 0.83087909694733 0.97772809943786 63.546 > 1 9 Cu 0.28329355871112 0.16912090305267 0.02227190056214 63.546 > 9 10 Cu 0.78329355871112 0.16912090305267 0.02227190056214 63.546 > 9 11 Cu 0.28329355871112 0.66912090305267 0.02227190056214 63.546 > 9 12 Cu 0.78329355871112 0.66912090305267 0.02227190056214 63.546 > 9 13 Cu 0.28329355871112 0.16912090305267 0.52227190056214 63.546 > 9 14 Cu 0.78329355871112 0.16912090305267 0.52227190056214 63.546 > 9 15 Cu 0.28329355871112 0.66912090305267 0.52227190056214 63.546 > 9 16 Cu 0.78329355871112 0.66912090305267 0.52227190056214 63.546 > 9 17 Cu 0.21670644128888 0.41912090305267 0.22772809943786 63.546 > 17 18 Cu 0.71670644128888 0.41912090305267 0.22772809943786 63.546 > 17 19 Cu 0.21670644128888 0.91912090305267 0.22772809943786 63.546 > 17 20 Cu 0.71670644128888 0.91912090305267 0.22772809943786 63.546 > 17 21 Cu 0.21670644128888 0.41912090305267 0.72772809943786 63.546 > 17 22 Cu 0.71670644128888 0.41912090305267 0.72772809943786 63.546 > 17 23 Cu 0.21670644128888 0.91912090305267 0.72772809943786 63.546 > 17 24 Cu 0.71670644128888 0.91912090305267 0.72772809943786 63.546 > 17 25 Cu 0.28329355871112 0.08087909694733 0.27227190056214 63.546 > 25 26 Cu 0.78329355871112 0.08087909694733 0.27227190056214 63.546 > 25 27 Cu 0.28329355871112 0.58087909694733 0.27227190056214 63.546 > 25 28 Cu 0.78329355871112 0.58087909694733 0.27227190056214 63.546 > 25 29 Cu 0.28329355871112 0.08087909694733 0.77227190056214 63.546 > 25 30 Cu 0.78329355871112 0.08087909694733 0.77227190056214 63.546 > 25 31 Cu 0.28329355871112 0.58087909694733 0.77227190056214 63.546 > 25 32 Cu 0.78329355871112 0.58087909694733 0.77227190056214 63.546 > 25 33 Se 0.46252218119321 0.11097154899626 0.25098793451057 78.960 > 33 34 Se 0.96252218119321 0.11097154899626 0.25098793451057 78.960 > 33 35 Se 0.46252218119321 0.61097154899626 0.25098793451057 78.960 > 33 36 Se 0.96252218119321 0.61097154899626 0.25098793451057 78.960 > 33 37 Se 0.46252218119321 0.11097154899626 0.75098793451057 78.960 > 33 38 Se 0.96252218119321 0.11097154899626 0.75098793451057 78.960 > 33 39 Se 0.46252218119321 0.61097154899626 0.75098793451057 78.960 > 33 40 Se 0.96252218119321 0.61097154899626 0.75098793451057 78.960 > 33 41 Se 0.46252218119321 0.13902845100374 0.00098793451057 78.960 > 41 42 Se 0.96252218119321 0.13902845100374 0.00098793451057 78.960 > 41 43 Se 0.46252218119321 0.63902845100374 0.00098793451057 78.960 > 41 44 Se 0.96252218119321 0.63902845100374 0.00098793451057 78.960 > 41 45 Se 0.46252218119321 0.13902845100374 0.50098793451057 78.960 > 41 46 Se 0.96252218119321 0.13902845100374 0.50098793451057 78.960 > 41 47 Se 0.46252218119321 0.63902845100374 0.50098793451057 78.960 > 41 48 Se 0.96252218119321 0.63902845100374 0.50098793451057 78.960 > 41 49 Se 0.03747781880679 0.36097154899626 0.49901206548943 78.960 > 49 50 Se 0.53747781880679 0.36097154899626 0.49901206548943 78.960 > 49 51 Se 0.03747781880679 0.86097154899626 0.49901206548943 78.960 > 49 52 Se 0.53747781880679 0.86097154899626 0.49901206548943 78.960 > 49 53 Se 0.03747781880679 0.36097154899626 0.99901206548943 78.960 > 49 54 Se 0.53747781880679 0.36097154899626 0.99901206548943 78.960 > 49 55 Se 0.03747781880679 0.86097154899626 0.99901206548943 78.960 > 49 56 Se 0.53747781880679 0.86097154899626 0.99901206548943 78.960 > 49 57 Se 0.03747781880679 0.38902845100374 0.24901206548943 78.960 > 57 58 Se 0.53747781880679 0.38902845100374 0.24901206548943 78.960 > 57 59 Se 0.03747781880679 0.88902845100374 0.24901206548943 78.960 > 57 60 Se 0.53747781880679 0.88902845100374 0.24901206548943 78.960 > 57 61 Se 0.03747781880679 0.38902845100374 0.74901206548943 78.960 > 57 62 Se 0.53747781880679 0.38902845100374 0.74901206548943 78.960 > 57 63 Se 0.03747781880679 0.88902845100374 0.74901206548943 78.960 > 57 64 Se 0.53747781880679 0.88902845100374 0.74901206548943 78.960 > 57 65 Se 0.30329955049704 0.30376232825265 0.14061856542836 78.960 > 65 66 Se 0.80329955049704 0.30376232825265 0.14061856542836 78.960 > 65 67 Se 0.30329955049704 0.80376232825265 0.14061856542836 78.960 > 65 68 Se 0.80329955049704 0.80376232825265 0.14061856542836 78.960 > 65 69 Se 0.30329955049704 0.30376232825265 0.64061856542836 78.960 > 65 70 Se 0.80329955049704 0.30376232825265 0.64061856542836 78.960 > 65 71 Se 0.30329955049704 0.80376232825265 0.64061856542836 78.960 > 65 72 Se 0.80329955049704 0.80376232825265 0.64061856542836 78.960 > 65 73 Se 0.19670044950296 0.05376232825265 0.10938143457164 78.960 > 73 74 Se 0.69670044950296 0.05376232825265 0.10938143457164 78.960 > 73 75 Se 0.19670044950296 0.55376232825265 0.10938143457164 78.960 > 73 76 Se 0.69670044950296 0.55376232825265 0.10938143457164 78.960 > 73 77 Se 0.19670044950296 0.05376232825265 0.60938143457164 78.960 > 73 78 Se 0.69670044950296 0.05376232825265 0.60938143457164 78.960 > 73 79 Se 0.19670044950296 0.55376232825265 0.60938143457164 78.960 > 73 80 Se 0.69670044950296 0.55376232825265 0.60938143457164 78.960 > 73 81 Se 0.19670044950296 0.19623767174735 0.35938143457164 78.960 > 81 82 Se 0.69670044950296 0.19623767174735 0.35938143457164 78.960 > 81 83 Se 0.19670044950296 0.69623767174735 0.35938143457164 78.960 > 81 84 Se 0.69670044950296 0.69623767174735 0.35938143457164 78.960 > 81 85 Se 0.19670044950296 0.19623767174735 0.85938143457164 78.960 > 81 86 Se 0.69670044950296 0.19623767174735 0.85938143457164 78.960 > 81 87 Se 0.19670044950296 0.69623767174735 0.85938143457164 78.960 > 81 88 Se 0.69670044950296 0.69623767174735 0.85938143457164 78.960 > 81 89 Se 0.30329955049704 0.44623767174735 0.39061856542836 78.960 > 89 90 Se 0.80329955049704 0.44623767174735 0.39061856542836 78.960 > 89 91 Se 0.30329955049704 0.94623767174735 0.39061856542836 78.960 > 89 92 Se 0.80329955049704 0.94623767174735 0.39061856542836 78.960 > 89 93 Se 0.30329955049704 0.44623767174735 0.89061856542836 78.960 > 89 94 Se 0.80329955049704 0.44623767174735 0.89061856542836 78.960 > 89 95 Se 0.30329955049704 0.94623767174735 0.89061856542836 78.960 > 89 96 Se 0.80329955049704 0.94623767174735 0.89061856542836 78.960 > 89 97 Tb 0.09755121404171 0.22880213124459 0.15029277415392 158.925 > 97 98 Tb 0.59755121404171 0.22880213124459 0.15029277415392 158.925 > 97 99 Tb 0.09755121404171 0.72880213124459 0.15029277415392 158.925 > 97 100 Tb 0.59755121404171 0.72880213124459 0.15029277415392 158.925 > 97 101 Tb 0.09755121404171 0.22880213124459 0.65029277415392 158.925 > 97 102 Tb 0.59755121404171 0.22880213124459 0.65029277415392 158.925 > 97 103 Tb 0.09755121404171 0.72880213124459 0.65029277415392 158.925 > 97 104 Tb 0.59755121404171 0.72880213124459 0.65029277415392 158.925 > 97 105 Tb 0.40244878595829 0.47880213124459 0.09970722584608 158.925 > 105 106 Tb 0.90244878595829 0.47880213124459 0.09970722584608 158.925 > 105 107 Tb 0.40244878595829 0.97880213124459 0.09970722584608 158.925 > 105 108 Tb 0.90244878595829 0.97880213124459 0.09970722584608 158.925 > 105 109 Tb 0.40244878595829 0.47880213124459 0.59970722584608 158.925 > 105 110 Tb 0.90244878595829 0.47880213124459 0.59970722584608 158.925 > 105 111 Tb 0.40244878595829 0.97880213124459 0.59970722584608 158.925 > 105 112 Tb 0.90244878595829 0.97880213124459 0.59970722584608 158.925 > 105 113 Tb 0.40244878595829 0.27119786875541 0.34970722584608 158.925 > 113 114 Tb 0.90244878595829 0.27119786875541 0.34970722584608 158.925 > 113 115 Tb 0.40244878595829 0.77119786875541 0.34970722584608 158.925 > 113 116 Tb 0.90244878595829 0.77119786875541 0.34970722584608 158.925 > 113 117 Tb 0.40244878595829 0.27119786875541 0.84970722584608 158.925 > 113 118 Tb 0.90244878595829 0.27119786875541 0.84970722584608 158.925 > 113 119 Tb 0.40244878595829 0.77119786875541 0.84970722584608 158.925 > 113 120 Tb 0.90244878595829 0.77119786875541 0.84970722584608 158.925 > 113 121 Tb 0.09755121404171 0.02119786875541 0.40029277415392 158.925 > 121 122 Tb 0.59755121404171 0.02119786875541 0.40029277415392 158.925 > 121 123 Tb 0.09755121404171 0.52119786875541 0.40029277415392 158.925 > 121 124 Tb 0.59755121404171 0.52119786875541 0.40029277415392 158.925 > 121 125 Tb 0.09755121404171 0.02119786875541 0.90029277415392 158.925 > 121 126 Tb 0.59755121404171 0.02119786875541 0.90029277415392 158.925 > 121 127 Tb 0.09755121404171 0.52119786875541 0.90029277415392 158.925 > 121 128 Tb 0.59755121404171 0.52119786875541 0.90029277415392 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.9945662 0.0000000 1.5816435 0.0000000 14.3388847 0.0000000 1.5816425 0.0000000 14.6603047 -------------------------- Born effective charges -------------------------- 1 Cu 0.5273659 0.0758885 0.1802915 0.0589195 0.8053874 0.2269401 0.0887472 0.2179929 1.1143010 2 Cu 0.5273659 0.0758885 0.1802915 0.0589195 0.8053874 0.2269401 0.0887472 0.2179929 1.1143010 3 Cu 0.5273659 -0.0758885 0.1802915 -0.0589195 0.8053874 -0.2269401 0.0887472 -0.2179929 1.1143010 4 Cu 0.5273659 -0.0758885 0.1802915 -0.0589195 0.8053874 -0.2269401 0.0887472 -0.2179929 1.1143010 5 Se -2.4148723 -0.1829089 0.2958095 -0.1441022 -3.0259885 -0.2202980 -0.1283675 -0.2909338 -2.1418927 6 Se -2.4148723 0.1829089 0.2958095 0.1441022 -3.0259885 0.2202980 -0.1283675 0.2909338 -2.1418927 7 Se -2.4148723 0.1829089 0.2958095 0.1441022 -3.0259885 0.2202980 -0.1283675 0.2909338 -2.1418927 8 Se -2.4148723 -0.1829089 0.2958095 -0.1441022 -3.0259885 -0.2202980 -0.1283675 -0.2909338 -2.1418927 9 Se -2.1642862 -0.4313182 -0.5096710 -0.5162593 -2.5581921 0.1057985 -0.0983157 0.2121299 -2.9903863 10 Se -2.1642862 0.4313182 -0.5096710 0.5162593 -2.5581921 -0.1057985 -0.0983157 -0.2121299 -2.9903863 11 Se -2.1642862 -0.4313182 -0.5096710 -0.5162593 -2.5581921 0.1057985 -0.0983157 0.2121299 -2.9903863 12 Se -2.1642862 0.4313182 -0.5096710 0.5162593 -2.5581921 -0.1057985 -0.0983157 -0.2121299 -2.9903863 13 Tb 4.0517926 0.1466617 0.0335699 0.1362473 4.7787932 -0.0697975 0.1379360 -0.3235843 4.0179780 14 Tb 4.0517926 -0.1466617 0.0335699 -0.1362473 4.7787932 0.0697975 0.1379360 0.3235843 4.0179780 15 Tb 4.0517926 0.1466617 0.0335699 0.1362473 4.7787932 -0.0697975 0.1379360 -0.3235843 4.0179780 16 Tb 4.0517926 -0.1466617 0.0335699 -0.1362473 4.7787932 0.0697975 0.1379360 0.3235843 4.0179780 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) 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 ... [ 8 7 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: 0.60, Number of G-points: 299, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 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 1.817 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 19.702 0.000 1.481) 19.758 0.452 ( 22.319 0.000 1.817) 22.393 0.679 ( 33.212 0.000 8.985) 34.406 1.675 ( -8.753 0.000 -1.380) 8.861 1.902 ( 1.869 0.000 1.893) 2.660 1.925 ( 0.339 0.000 -1.109) 1.160 2.097 ( -3.157 0.000 1.421) 3.462 2.154 ( -2.078 0.000 0.886) 2.259 2.300 ( 1.986 0.000 5.417) 5.769 2.349 ( -2.778 0.000 1.746) 3.281 2.413 ( -0.145 0.000 -0.604) 0.621 2.537 ( -2.242 0.000 1.995) 3.001 2.591 ( -3.334 0.000 -4.300) 5.441 2.718 ( 1.848 0.000 0.044) 1.848 2.825 ( 1.673 0.000 1.060) 1.981 2.832 ( 1.664 0.000 0.136) 1.670 2.992 ( -5.620 0.000 0.357) 5.631 3.107 ( -3.275 0.000 2.204) 3.948 3.281 ( -0.954 0.000 -3.379) 3.512 3.298 ( 1.570 0.000 -4.462) 4.730 3.496 ( 4.534 0.000 0.832) 4.610 3.591 ( -3.041 0.000 2.106) 3.699 3.883 ( -0.735 0.000 -2.643) 2.743 3.983 ( -0.751 0.000 -0.771) 1.076 4.031 ( 0.143 0.000 2.313) 2.317 4.130 ( -0.144 0.000 -0.175) 0.226 4.208 ( -5.527 0.000 -0.384) 5.540 4.485 ( 0.810 0.000 0.200) 0.834 4.500 ( 5.864 0.000 -6.629) 8.850 4.695 ( 2.062 0.000 -0.257) 2.078 4.825 ( 0.725 0.000 -0.009) 0.725 4.965 ( 0.346 0.000 1.296) 1.341 5.027 ( -4.703 0.000 0.373) 4.718 5.137 ( 0.160 0.000 4.248) 4.251 5.212 ( 1.906 0.000 -3.801) 4.252 5.320 ( -5.928 0.000 -2.234) 6.335 5.440 ( -0.033 0.000 -3.538) 3.538 5.467 ( 1.485 0.000 3.316) 3.633 5.558 ( 1.814 0.000 -1.154) 2.150 5.658 ( 0.635 0.000 3.144) 3.207 5.802 ( 3.050 0.000 0.835) 3.162 5.886 ( 0.516 0.000 1.548) 1.632 5.967 ( -0.629 0.000 -1.977) 2.074 5.974 ( -0.414 0.000 8.373) 8.383 6.198 ( -0.909 0.000 0.890) 1.272 6.230 ( -2.078 0.000 0.164) 2.084 6.239 ( -0.727 0.000 0.704) 1.012 6.470 ( 1.996 0.000 -8.508) 8.739 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 18.074 0.000 1.633) 18.147 0.854 ( 18.327 0.000 1.386) 18.379 1.301 ( 28.557 0.000 8.411) 29.770 1.488 ( -9.925 0.000 -0.768) 9.955 1.864 ( -6.440 0.000 -3.045) 7.123 1.900 ( -2.166 0.000 1.767) 2.795 2.116 ( -1.768 0.000 2.969) 3.455 2.119 ( 5.821 0.000 -1.234) 5.950 2.282 ( -4.107 0.000 3.832) 5.617 2.323 ( -0.748 0.000 -0.163) 0.765 2.415 ( 0.561 0.000 1.735) 1.824 2.480 ( -3.902 0.000 -3.748) 5.411 2.522 ( -2.077 0.000 -3.970) 4.481 2.745 ( 0.686 0.000 0.749) 1.016 2.840 ( -7.280 0.000 2.316) 7.640 2.876 ( 1.849 0.000 -0.043) 1.850 2.881 ( 1.282 0.000 -0.110) 1.287 3.060 ( -0.928 0.000 3.123) 3.258 3.249 ( -1.514 0.000 -4.058) 4.332 3.308 ( 0.158 0.000 -4.970) 4.972 3.507 ( -6.104 0.000 2.647) 6.653 3.588 ( 4.171 0.000 0.986) 4.286 3.870 ( -0.010 0.000 -2.602) 2.602 3.918 ( -5.846 0.000 -4.266) 7.237 4.024 ( -0.603 0.000 6.502) 6.530 4.119 ( -0.851 0.000 -0.878) 1.222 4.162 ( 0.141 0.000 -1.879) 1.884 4.490 ( 0.360 0.000 1.965) 1.998 4.605 ( 5.196 0.000 -3.540) 6.287 4.746 ( 3.020 0.000 -0.353) 3.041 4.841 ( 0.659 0.000 0.068) 0.662 4.929 ( -4.780 0.000 1.705) 5.075 4.976 ( 0.422 0.000 1.745) 1.795 5.138 ( -1.007 0.000 2.542) 2.734 5.219 ( -3.284 0.000 -0.405) 3.309 5.268 ( 3.854 0.000 -3.064) 4.924 5.431 ( -0.112 0.000 -3.409) 3.411 5.501 ( 1.179 0.000 2.454) 2.722 5.540 ( -2.040 0.000 -1.337) 2.439 5.708 ( 2.645 0.000 2.364) 3.547 5.853 ( 1.629 0.000 1.252) 2.054 5.906 ( 1.013 0.000 2.892) 3.065 5.947 ( -0.972 0.000 -2.738) 2.906 5.982 ( 0.057 0.000 2.471) 2.472 6.177 ( -3.250 0.000 0.191) 3.255 6.183 ( -0.616 0.000 0.991) 1.167 6.224 ( -1.006 0.000 1.305) 1.647 6.497 ( 1.949 0.000 -4.053) 4.497 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 14.811 0.000 1.782) 14.918 1.134 ( 8.974 0.000 0.963) 9.025 1.319 ( -5.784 0.000 -0.114) 5.785 1.698 ( -9.033 0.000 -2.934) 9.497 1.788 ( 19.112 0.000 8.104) 20.759 1.856 ( -1.737 0.000 0.406) 1.784 2.107 ( 0.096 0.000 4.652) 4.653 2.224 ( -2.339 0.000 4.194) 4.802 2.230 ( -1.458 0.000 -7.997) 8.129 2.315 ( 6.226 0.000 1.405) 6.383 2.369 ( -5.711 0.000 -7.639) 9.538 2.451 ( 3.650 0.000 1.556) 3.968 2.501 ( 0.201 0.000 -3.085) 3.091 2.685 ( -7.013 0.000 1.688) 7.213 2.743 ( -1.779 0.000 1.782) 2.518 2.857 ( -3.465 0.000 0.929) 3.588 2.928 ( 2.031 0.000 1.217) 2.368 3.111 ( 4.404 0.000 3.549) 5.656 3.213 ( -1.254 0.000 -2.915) 3.174 3.273 ( -2.904 0.000 -5.496) 6.216 3.385 ( -5.676 0.000 0.982) 5.760 3.654 ( 2.415 0.000 0.770) 2.535 3.796 ( -5.110 0.000 -1.000) 5.207 3.868 ( 0.097 0.000 -1.423) 1.426 4.033 ( 0.091 0.000 4.345) 4.346 4.099 ( -0.795 0.000 -0.832) 1.151 4.158 ( -0.248 0.000 -3.469) 3.478 4.511 ( 1.179 0.000 2.570) 2.828 4.680 ( 2.963 0.000 -1.934) 3.538 4.799 ( 2.240 0.000 -0.241) 2.253 4.823 ( -2.334 0.000 -0.310) 2.355 4.888 ( 0.118 0.000 1.794) 1.798 4.986 ( 0.295 0.000 1.204) 1.240 5.105 ( -2.008 0.000 -0.132) 2.012 5.194 ( 0.134 0.000 0.972) 0.981 5.339 ( 3.340 0.000 -0.901) 3.459 5.424 ( -0.033 0.000 -2.254) 2.254 5.497 ( -1.879 0.000 -0.859) 2.066 5.519 ( 0.382 0.000 1.252) 1.309 5.752 ( 1.567 0.000 0.613) 1.683 5.871 ( 0.218 0.000 1.100) 1.121 5.917 ( -1.605 0.000 -1.690) 2.331 5.934 ( 1.057 0.000 3.410) 3.570 5.986 ( 0.311 0.000 -0.648) 0.718 6.114 ( -2.985 0.000 0.182) 2.991 6.183 ( 0.478 0.000 -0.089) 0.486 6.208 ( -0.862 0.000 1.589) 1.808 6.524 ( 1.248 0.000 -1.861) 2.241 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 0.000 -0.000) 0.000 1.278 ( 0.000 0.000 -0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.102 ( -0.000 0.000 -0.000) 0.000 2.120 ( 0.000 0.000 -0.000) 0.000 2.217 ( -0.000 0.000 -0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 -0.000) 0.000 2.504 ( -0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 -0.000) 0.000 2.614 ( 0.000 0.000 -0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 -0.000) 0.000 3.322 ( 0.000 0.000 -0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 -0.000) 0.000 3.867 ( 0.000 0.000 -0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 -0.000) 0.000 4.149 ( 0.000 0.000 -0.000) 0.000 4.529 ( 0.000 0.000 -0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 -0.000) 0.000 4.822 ( 0.000 0.000 -0.000) 0.000 4.895 ( 0.000 0.000 -0.000) 0.000 4.990 ( 0.000 0.000 -0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 -0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 -0.000) 0.000 5.769 ( 0.000 0.000 -0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 -0.000) 0.000 5.949 ( 0.000 0.000 -0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.194 ( -0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 -0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 21.804 0.000) 21.804 0.476 ( 0.000 23.717 0.000) 23.717 0.860 ( 0.000 42.127 0.000) 42.127 1.792 ( 0.000 -2.540 0.000) 2.540 1.876 ( 0.000 4.934 0.000) 4.934 1.946 ( 0.000 2.786 0.000) 2.786 2.125 ( 0.000 -4.781 0.000) 4.781 2.149 ( 0.000 3.774 0.000) 3.774 2.304 ( 0.000 3.510 0.000) 3.510 2.348 ( 0.000 -2.832 0.000) 2.832 2.412 ( 0.000 0.026 0.000) 0.026 2.454 ( 0.000 -10.973 0.000) 10.973 2.539 ( 0.000 -0.743 0.000) 0.743 2.732 ( 0.000 0.235 0.000) 0.235 2.793 ( 0.000 -2.488 0.000) 2.488 2.947 ( 0.000 -2.643 0.000) 2.643 2.967 ( 0.000 7.577 0.000) 7.577 3.120 ( 0.000 5.128 0.000) 5.128 3.124 ( 0.000 -2.650 0.000) 2.650 3.281 ( 0.000 -4.036 0.000) 4.036 3.377 ( 0.000 -6.279 0.000) 6.279 3.586 ( 0.000 -2.629 0.000) 2.629 3.778 ( 0.000 -6.887 0.000) 6.887 4.057 ( 0.000 6.199 0.000) 6.199 4.112 ( 0.000 -6.650 0.000) 6.650 4.181 ( 0.000 5.121 0.000) 5.121 4.242 ( 0.000 2.754 0.000) 2.754 4.414 ( 0.000 1.350 0.000) 1.350 4.467 ( 0.000 -0.387 0.000) 0.387 4.776 ( 0.000 -4.439 0.000) 4.439 4.893 ( 0.000 -3.471 0.000) 3.471 5.051 ( 0.000 2.257 0.000) 2.257 5.072 ( 0.000 -0.187 0.000) 0.187 5.147 ( 0.000 2.049 0.000) 2.049 5.259 ( 0.000 4.388 0.000) 4.388 5.354 ( 0.000 0.367 0.000) 0.367 5.428 ( 0.000 -1.388 0.000) 1.388 5.502 ( 0.000 0.861 0.000) 0.861 5.569 ( 0.000 -0.133 0.000) 0.133 5.761 ( 0.000 0.504 0.000) 0.504 5.804 ( 0.000 1.344 0.000) 1.344 5.882 ( 0.000 0.264 0.000) 0.264 5.960 ( 0.000 -1.489 0.000) 1.489 6.010 ( 0.000 -0.255 0.000) 0.255 6.202 ( 0.000 -0.711 0.000) 0.711 6.212 ( 0.000 -2.441 0.000) 2.441 6.262 ( 0.000 1.050 0.000) 1.050 6.339 ( 0.000 1.323 0.000) 1.323 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 12.430 15.794 3.108) 20.338 0.594 ( 13.016 15.961 3.251) 20.850 1.087 ( 18.614 30.695 3.615) 36.080 1.713 ( -6.967 3.117 -1.337) 7.749 1.876 ( -0.051 -0.993 2.102) 2.325 1.982 ( 1.717 4.743 -1.249) 5.197 2.082 ( -2.208 -3.101 0.090) 3.807 2.154 ( -1.335 2.054 0.012) 2.450 2.298 ( -1.555 -1.376 2.311) 3.107 2.336 ( -0.572 -1.067 1.191) 1.699 2.421 ( 1.212 -0.150 0.042) 1.222 2.475 ( 0.563 -5.848 0.323) 5.884 2.528 ( -1.147 -1.656 -1.118) 2.303 2.715 ( -1.084 -0.997 -1.423) 2.048 2.770 ( -0.999 -1.875 0.362) 2.156 2.920 ( -3.523 -4.137 -0.603) 5.467 2.965 ( 0.229 5.641 1.204) 5.772 3.102 ( -1.540 -0.461 1.817) 2.426 3.181 ( 3.122 -0.873 -1.756) 3.687 3.284 ( 0.829 -4.039 -2.924) 5.054 3.441 ( 5.277 -5.099 1.492) 7.488 3.572 ( -1.630 -1.141 0.521) 2.057 3.768 ( -0.626 -6.933 -1.795) 7.189 4.020 ( -4.173 -1.241 -3.698) 5.712 4.095 ( -0.934 1.055 5.589) 5.764 4.184 ( 0.771 7.689 0.545) 7.747 4.225 ( -1.385 3.595 0.469) 3.881 4.438 ( 2.112 -2.979 0.603) 3.701 4.511 ( 3.835 1.183 -5.775) 7.033 4.783 ( 0.663 -4.305 0.702) 4.412 4.878 ( -2.109 1.764 0.739) 2.847 4.971 ( -2.990 3.631 -1.632) 4.979 5.040 ( -4.608 1.598 0.851) 4.951 5.164 ( 1.004 2.026 2.615) 3.458 5.238 ( -0.158 3.324 -4.297) 5.435 5.301 ( -4.037 -0.006 0.225) 4.043 5.426 ( 0.261 -1.912 0.347) 1.960 5.530 ( -1.195 1.542 -1.906) 2.728 5.548 ( -0.111 -0.342 -0.729) 0.813 5.714 ( -1.544 4.804 1.073) 5.159 5.802 ( 1.946 0.125 0.414) 1.993 5.901 ( 0.904 0.940 0.637) 1.452 5.949 ( -0.470 -1.121 0.415) 1.284 5.985 ( -1.119 0.308 5.310) 5.435 6.190 ( -0.792 -0.651 0.693) 1.238 6.218 ( -1.025 -1.480 0.016) 1.800 6.251 ( -0.964 0.981 -0.032) 1.376 6.406 ( 4.081 -3.233 -4.459) 6.855 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 15.092 9.881 0.893) 18.061 0.912 ( 16.543 6.431 3.344) 18.061 1.457 ( 14.367 12.327 7.178) 20.246 1.556 ( -6.522 7.369 -0.714) 9.867 1.860 ( -2.227 -2.060 1.079) 3.220 1.931 ( -5.532 5.149 -2.781) 8.053 2.076 ( 0.016 -3.512 2.651) 4.400 2.181 ( 6.158 4.963 -1.373) 8.027 2.251 ( -2.963 -2.110 1.523) 3.944 2.321 ( -1.867 -1.294 -0.537) 2.334 2.439 ( -0.630 0.000 1.172) 1.331 2.459 ( -1.727 0.640 -0.879) 2.041 2.501 ( 0.397 -1.459 -3.912) 4.194 2.722 ( 1.245 -3.965 1.007) 4.276 2.754 ( -1.791 -1.780 1.433) 2.903 2.806 ( -5.431 -3.863 -1.857) 6.918 2.995 ( 1.232 4.337 0.801) 4.580 3.088 ( 0.391 2.077 2.844) 3.544 3.195 ( -0.552 -2.680 -2.841) 3.945 3.299 ( 0.821 -4.065 -3.705) 5.561 3.504 ( -3.954 0.448 1.196) 4.155 3.551 ( 3.188 -2.905 0.738) 4.375 3.757 ( -0.175 -7.252 -1.023) 7.326 3.909 ( -5.670 -1.711 -1.519) 6.114 4.098 ( -0.033 4.954 2.727) 5.654 4.190 ( -0.910 6.082 -1.774) 6.400 4.219 ( 1.137 5.029 1.244) 5.304 4.471 ( 0.817 -1.269 0.689) 1.659 4.580 ( 4.462 -1.269 -4.692) 6.598 4.803 ( 1.143 -3.572 1.408) 4.006 4.842 ( -0.936 4.701 0.708) 4.845 4.929 ( -5.067 0.030 0.949) 5.155 4.960 ( -0.513 -0.219 0.918) 1.074 5.160 ( -1.687 2.330 1.293) 3.154 5.228 ( -2.762 0.794 -0.054) 2.874 5.275 ( 4.212 0.666 -3.138) 5.294 5.430 ( 0.094 -1.098 -0.873) 1.405 5.495 ( -1.759 0.203 0.080) 1.772 5.531 ( -1.209 -0.995 -1.382) 2.088 5.728 ( 1.220 1.596 2.396) 3.127 5.844 ( 1.768 -0.482 1.058) 2.116 5.918 ( 0.700 0.926 2.074) 2.377 5.940 ( -0.549 -0.367 -2.514) 2.599 5.984 ( -0.046 0.043 3.076) 3.077 6.171 ( -2.096 -0.347 0.711) 2.240 6.186 ( -1.027 0.115 0.468) 1.135 6.233 ( -0.900 0.720 0.797) 1.402 6.458 ( 2.405 -3.256 -3.320) 5.235 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 11.631 5.684 1.054) 12.988 1.192 ( 10.486 4.911 0.997) 11.622 1.387 ( -4.890 6.219 0.833) 7.955 1.696 ( 2.016 -4.257 4.503) 6.516 1.759 ( -6.308 4.753 -1.496) 8.039 1.899 ( 4.471 1.690 1.830) 5.118 2.100 ( 1.763 -1.318 3.467) 4.107 2.188 ( -4.653 -0.595 0.156) 4.693 2.230 ( -1.836 -3.429 -3.983) 5.567 2.354 ( 1.501 2.401 -0.630) 2.901 2.396 ( 2.132 3.213 -4.286) 5.765 2.438 ( -0.447 -0.938 1.447) 1.781 2.556 ( 5.370 4.736 -3.082) 7.795 2.624 ( -7.102 -2.678 1.529) 7.742 2.743 ( -1.048 -0.458 2.358) 2.621 2.816 ( 3.992 -2.809 -1.186) 5.023 2.992 ( -1.627 4.574 1.931) 5.225 3.135 ( 3.161 1.371 2.320) 4.154 3.177 ( -0.327 -2.313 -1.708) 2.894 3.289 ( -1.214 -3.727 -2.802) 4.818 3.377 ( -7.857 2.866 -1.646) 8.524 3.610 ( 2.385 -3.697 0.916) 4.494 3.732 ( -3.013 -6.481 1.082) 7.229 3.841 ( -0.488 0.268 -1.265) 1.382 4.099 ( -0.244 5.029 0.787) 5.096 4.165 ( -1.102 5.605 -0.805) 5.769 4.240 ( 0.631 6.854 -0.433) 6.897 4.483 ( 0.594 -1.762 0.965) 2.095 4.652 ( 3.177 -2.338 -2.007) 4.426 4.821 ( -0.899 -0.530 0.023) 1.044 4.836 ( -0.267 2.035 0.746) 2.183 4.850 ( -1.130 -2.941 1.434) 3.461 4.961 ( -0.070 -2.271 0.849) 2.425 5.122 ( -1.812 1.833 -0.193) 2.584 5.210 ( 0.539 1.419 0.755) 1.695 5.357 ( 4.102 0.939 -1.846) 4.595 5.427 ( -0.082 -0.289 -1.320) 1.354 5.450 ( -2.742 -2.567 0.491) 3.788 5.512 ( -0.718 -1.408 -0.055) 1.581 5.752 ( 0.881 -0.499 0.617) 1.186 5.867 ( 0.435 -0.187 1.003) 1.109 5.912 ( -1.506 -0.383 -1.707) 2.308 5.943 ( 1.091 0.888 3.009) 3.321 5.991 ( 0.368 0.574 0.013) 0.682 6.118 ( -2.740 0.572 -0.075) 2.800 6.187 ( 0.542 0.217 0.325) 0.668 6.219 ( -0.693 0.934 1.077) 1.585 6.490 ( 1.318 -3.187 -1.684) 3.839 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 6.601 -0.000) 6.601 1.267 ( 0.000 2.604 0.000) 2.604 1.428 ( 0.000 8.423 0.000) 8.423 1.593 ( 0.000 0.673 -0.000) 0.673 1.751 ( 0.000 -4.929 0.000) 4.929 2.008 ( 0.000 -5.003 -0.000) 5.003 2.061 ( 0.000 -0.515 0.000) 0.515 2.151 ( 0.000 3.060 -0.000) 3.060 2.229 ( 0.000 -5.008 0.000) 5.008 2.297 ( 0.000 4.781 -0.000) 4.781 2.434 ( 0.000 0.128 -0.000) 0.128 2.471 ( 0.000 -2.054 -0.000) 2.054 2.532 ( -0.000 0.252 0.000) 0.252 2.648 ( 0.000 0.773 0.000) 0.773 2.721 ( 0.000 2.673 -0.000) 2.673 2.888 ( 0.000 7.608 -0.000) 7.608 2.951 ( -0.000 0.323 0.000) 0.323 3.173 ( 0.000 -1.965 -0.000) 1.965 3.194 ( 0.000 1.627 0.000) 1.627 3.258 ( 0.000 3.452 -0.000) 3.452 3.267 ( 0.000 -5.719 0.000) 5.719 3.645 ( 0.000 -2.562 0.000) 2.562 3.685 ( 0.000 -5.694 -0.000) 5.694 3.844 ( 0.000 -0.149 0.000) 0.149 4.096 ( 0.000 5.070 0.000) 5.070 4.152 ( 0.000 5.480 -0.000) 5.480 4.245 ( 0.000 7.723 -0.000) 7.723 4.493 ( 0.000 -2.804 -0.000) 2.804 4.683 ( 0.000 -2.276 0.000) 2.276 4.795 ( 0.000 0.227 0.000) 0.227 4.838 ( 0.000 0.483 -0.000) 0.483 4.856 ( 0.000 -3.595 0.000) 3.595 4.961 ( -0.000 -2.842 -0.000) 2.842 5.103 ( -0.000 2.094 0.000) 2.094 5.223 ( 0.000 2.035 0.000) 2.035 5.406 ( -0.000 2.949 0.000) 2.949 5.410 ( 0.000 -3.362 -0.000) 3.362 5.427 ( 0.000 -1.941 -0.000) 1.941 5.502 ( 0.000 -2.436 0.000) 2.436 5.762 ( 0.000 -1.117 -0.000) 1.117 5.873 ( 0.000 -0.207 -0.000) 0.207 5.889 ( -0.000 -0.272 -0.000) 0.272 5.962 ( 0.000 1.361 0.000) 1.361 5.995 ( 0.000 0.423 0.000) 0.423 6.086 ( 0.000 0.865 0.000) 0.865 6.197 ( 0.000 -0.030 -0.000) 0.030 6.211 ( 0.000 1.348 -0.000) 1.348 6.501 ( 0.000 -3.203 0.000) 3.203 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 20.033 0.000) 20.033 0.929 ( 0.000 21.966 0.000) 21.966 1.602 ( 0.000 28.189 0.000) 28.189 1.713 ( 0.000 -4.405 0.000) 4.405 1.937 ( 0.000 -8.010 0.000) 8.010 2.008 ( 0.000 7.917 0.000) 7.917 2.106 ( 0.000 8.826 0.000) 8.826 2.203 ( 0.000 -1.403 0.000) 1.403 2.246 ( 0.000 -6.374 0.000) 6.374 2.285 ( 0.000 -1.782 0.000) 1.782 2.406 ( 0.000 3.898 0.000) 3.898 2.422 ( 0.000 2.679 0.000) 2.679 2.564 ( 0.000 3.112 0.000) 3.112 2.714 ( 0.000 -1.675 0.000) 1.675 2.746 ( 0.000 -1.801 0.000) 1.801 2.896 ( 0.000 -2.540 0.000) 2.540 3.023 ( 0.000 -5.736 0.000) 5.736 3.057 ( 0.000 -1.641 0.000) 1.641 3.203 ( 0.000 -3.272 0.000) 3.272 3.235 ( 0.000 -0.949 0.000) 0.949 3.235 ( 0.000 0.927 0.000) 0.927 3.544 ( 0.000 -1.291 0.000) 1.291 3.646 ( 0.000 -7.535 0.000) 7.535 3.799 ( 0.000 -18.975 0.000) 18.975 4.202 ( 0.000 7.563 0.000) 7.563 4.318 ( 0.000 5.092 0.000) 5.092 4.363 ( 0.000 8.155 0.000) 8.155 4.448 ( 0.000 1.823 0.000) 1.823 4.482 ( 0.000 1.635 0.000) 1.635 4.650 ( 0.000 -7.605 0.000) 7.605 4.856 ( 0.000 -0.082 0.000) 0.082 5.070 ( 0.000 -0.229 0.000) 0.229 5.082 ( 0.000 0.863 0.000) 0.863 5.169 ( 0.000 -0.851 0.000) 0.851 5.327 ( 0.000 2.148 0.000) 2.148 5.337 ( 0.000 -1.560 0.000) 1.560 5.427 ( 0.000 1.546 0.000) 1.546 5.515 ( 0.000 0.029 0.000) 0.029 5.579 ( 0.000 1.499 0.000) 1.499 5.779 ( 0.000 0.151 0.000) 0.151 5.825 ( 0.000 1.215 0.000) 1.215 5.889 ( 0.000 0.385 0.000) 0.385 5.931 ( 0.000 -0.823 0.000) 0.823 6.000 ( 0.000 -0.885 0.000) 0.885 6.172 ( 0.000 -1.408 0.000) 1.408 6.185 ( 0.000 -0.966 0.000) 0.966 6.288 ( 0.000 1.491 0.000) 1.491 6.354 ( 0.000 0.103 0.000) 0.103 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 6.758 17.750 3.205) 19.262 0.966 ( 4.442 19.563 1.415) 20.111 1.647 ( 2.368 17.265 3.576) 17.789 1.729 ( 1.995 0.753 -0.616) 2.219 1.887 ( -5.302 -3.254 0.574) 6.247 1.989 ( -1.148 1.555 0.574) 2.016 2.137 ( 1.608 9.200 -1.083) 9.402 2.218 ( -2.444 -0.636 0.034) 2.526 2.226 ( 2.577 -0.701 -0.161) 2.676 2.284 ( 0.133 -1.819 -1.696) 2.491 2.404 ( 1.330 2.026 0.798) 2.551 2.454 ( 1.483 0.645 -0.718) 1.770 2.544 ( -1.937 2.710 -0.402) 3.355 2.684 ( -1.752 -0.695 -1.070) 2.167 2.739 ( -0.616 -1.603 0.652) 1.837 2.852 ( -4.292 -2.809 0.486) 5.152 2.983 ( -1.666 -5.366 -2.285) 6.065 3.063 ( 0.922 -2.296 0.036) 2.475 3.202 ( 0.327 -2.120 -0.896) 2.325 3.231 ( -0.566 2.148 0.952) 2.416 3.333 ( 6.164 -4.089 2.852) 7.928 3.554 ( 0.790 -0.766 -1.717) 2.040 3.642 ( -0.048 -6.393 -1.206) 6.505 3.804 ( 0.471 -15.831 0.627) 15.850 4.205 ( 0.304 7.134 0.858) 7.192 4.304 ( -1.121 4.751 2.045) 5.292 4.358 ( -1.551 6.828 -1.773) 7.223 4.432 ( 1.662 2.772 1.216) 3.454 4.539 ( 3.400 1.571 -3.448) 5.091 4.661 ( 0.967 -7.519 1.567) 7.741 4.860 ( 0.294 -0.479 -0.442) 0.715 5.013 ( -3.932 0.658 -0.914) 4.090 5.070 ( -3.070 0.628 0.751) 3.223 5.185 ( 1.962 -0.870 0.762) 2.277 5.304 ( -2.070 1.922 -0.614) 2.891 5.316 ( -3.224 0.905 -0.700) 3.421 5.399 ( -0.454 0.573 -1.669) 1.822 5.518 ( 0.130 -1.359 -1.677) 2.162 5.564 ( -1.985 1.718 0.169) 2.631 5.789 ( -2.515 -0.294 -0.106) 2.535 5.804 ( 1.510 2.154 1.881) 3.234 5.911 ( 1.558 -0.076 0.637) 1.685 5.935 ( 0.722 0.126 -0.259) 0.777 5.982 ( -1.566 -0.484 4.209) 4.517 6.175 ( 0.036 -0.940 -0.521) 1.076 6.181 ( -0.219 -1.486 -0.089) 1.505 6.277 ( -1.068 1.587 -0.247) 1.929 6.369 ( 1.442 -1.193 -1.627) 2.480 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 9.319 11.949 1.885) 15.270 1.125 ( 10.121 13.940 2.689) 17.435 1.644 ( -3.806 6.811 4.080) 8.805 1.739 ( -5.958 3.417 2.671) 7.369 1.803 ( 1.865 -2.292 1.849) 3.486 1.998 ( 2.221 -0.408 0.046) 2.259 2.076 ( -6.653 6.844 -3.885) 10.305 2.171 ( -1.590 -3.913 -1.999) 4.673 2.259 ( -2.730 -2.378 0.426) 3.645 2.335 ( 5.613 5.645 1.457) 8.092 2.412 ( -1.085 -1.439 -1.225) 2.179 2.497 ( -1.955 2.947 -2.659) 4.425 2.526 ( 6.972 4.438 -0.267) 8.269 2.689 ( 2.895 1.528 -2.291) 3.995 2.725 ( -1.393 -2.315 1.494) 3.088 2.749 ( -5.405 -1.003 0.433) 5.515 2.988 ( 2.118 -6.460 -0.958) 6.866 3.086 ( 1.495 -2.085 -0.280) 2.580 3.195 ( -2.361 2.764 0.157) 3.639 3.210 ( -0.514 -2.466 -0.309) 2.538 3.439 ( 3.970 -5.711 3.625) 7.843 3.538 ( -2.235 -1.138 -4.199) 4.891 3.649 ( 0.558 -2.880 0.550) 2.985 3.821 ( 1.240 -7.275 0.433) 7.393 4.213 ( 0.032 6.380 0.615) 6.410 4.281 ( -1.274 3.682 0.897) 3.998 4.342 ( 0.548 5.391 0.229) 5.424 4.484 ( 2.327 3.467 -0.350) 4.190 4.581 ( 1.963 1.318 -3.922) 4.579 4.694 ( 1.948 -7.013 2.874) 7.825 4.855 ( -0.982 -1.412 -0.703) 1.858 4.934 ( -3.824 0.625 0.203) 3.880 4.983 ( -5.165 0.786 0.199) 5.228 5.223 ( -1.378 2.693 1.263) 3.278 5.247 ( -1.235 0.791 -0.020) 1.467 5.266 ( 0.310 -1.936 -2.213) 2.957 5.404 ( 0.426 -0.059 -0.761) 0.875 5.504 ( -1.658 -0.757 -1.986) 2.696 5.516 ( -1.926 1.193 -0.498) 2.319 5.738 ( -2.170 -1.350 1.806) 3.129 5.847 ( 1.881 0.960 1.635) 2.671 5.929 ( 0.072 0.010 -1.358) 1.360 5.947 ( -0.128 0.930 0.432) 1.034 5.981 ( 1.035 -0.297 3.870) 4.016 6.166 ( -0.955 -0.162 0.556) 1.117 6.181 ( 0.180 -0.608 0.014) 0.634 6.252 ( -1.195 1.406 0.032) 1.845 6.394 ( 1.362 -3.058 -2.043) 3.922 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.428 6.336 -1.288) 12.269 1.310 ( 7.515 9.217 2.927) 12.247 1.531 ( -6.143 7.451 1.865) 9.836 1.655 ( -3.441 0.048 3.570) 4.959 1.860 ( 1.826 0.812 3.768) 4.265 1.906 ( -7.021 1.048 -0.528) 7.119 2.064 ( 1.791 -0.469 -1.081) 2.144 2.119 ( -3.437 -6.159 -4.467) 8.349 2.211 ( -0.313 2.468 0.720) 2.589 2.386 ( -1.069 -3.181 -1.252) 3.581 2.408 ( 1.139 2.830 0.846) 3.165 2.462 ( -0.395 3.445 -2.378) 4.205 2.620 ( -0.823 2.521 0.655) 2.731 2.649 ( -1.396 0.309 -2.198) 2.622 2.721 ( -0.013 -1.579 3.206) 3.574 2.820 ( 10.222 4.739 -4.123) 11.998 3.037 ( 2.357 -6.229 0.221) 6.664 3.106 ( -1.449 -2.259 0.898) 2.830 3.138 ( -1.761 0.063 -0.688) 1.892 3.207 ( 0.723 0.492 2.883) 3.013 3.451 ( -4.918 1.715 -5.306) 7.435 3.514 ( 2.819 -6.181 1.745) 7.014 3.646 ( -1.195 -0.316 1.973) 2.328 3.850 ( 1.502 -0.069 -0.087) 1.506 4.207 ( -0.269 5.259 -0.064) 5.266 4.268 ( -0.550 4.215 -0.075) 4.251 4.371 ( 1.952 4.795 1.781) 5.475 4.485 ( -1.745 2.673 -2.533) 4.075 4.618 ( 2.217 -0.110 -1.352) 2.599 4.743 ( 2.157 -5.715 2.727) 6.690 4.823 ( -1.604 -2.578 -0.564) 3.088 4.863 ( -3.507 2.612 -0.362) 4.388 4.907 ( -2.199 -3.159 0.596) 3.895 5.179 ( -1.564 3.604 -0.129) 3.931 5.241 ( 0.848 0.811 0.200) 1.190 5.301 ( 0.874 -5.596 -0.207) 5.667 5.405 ( 0.156 -0.591 -0.860) 1.055 5.460 ( -1.900 0.544 -0.491) 2.037 5.489 ( -0.995 0.885 -0.627) 1.472 5.717 ( -0.359 -3.020 0.666) 3.113 5.870 ( 0.214 0.518 0.837) 1.007 5.905 ( -1.549 -0.315 -1.098) 1.925 5.965 ( 1.683 1.245 2.002) 2.896 6.008 ( 0.755 0.863 1.022) 1.536 6.138 ( -1.739 1.403 -0.409) 2.271 6.189 ( 0.490 -0.077 0.457) 0.674 6.237 ( -0.421 0.948 0.512) 1.157 6.412 ( 0.812 -4.376 -1.292) 4.634 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 7.835 0.000) 7.835 1.420 ( 0.000 9.628 0.000) 9.628 1.510 ( 0.000 -3.942 0.000) 3.942 1.577 ( -0.000 5.249 -0.000) 5.249 1.811 ( 0.000 6.432 0.000) 6.432 1.921 ( -0.000 -3.179 -0.000) 3.179 2.032 ( 0.000 -2.836 0.000) 2.836 2.091 ( 0.000 -7.526 0.000) 7.526 2.230 ( 0.000 4.262 -0.000) 4.262 2.372 ( 0.000 -3.811 -0.000) 3.811 2.402 ( 0.000 5.676 -0.000) 5.676 2.467 ( 0.000 2.142 -0.000) 2.142 2.592 ( 0.000 3.037 0.000) 3.037 2.643 ( 0.000 -1.337 0.000) 1.337 2.729 ( 0.000 -1.417 -0.000) 1.417 2.968 ( -0.000 0.773 0.000) 0.773 3.028 ( 0.000 5.494 0.000) 5.494 3.071 ( 0.000 -11.810 0.000) 11.810 3.129 ( 0.000 -1.961 -0.000) 1.961 3.251 ( 0.000 2.645 -0.000) 2.645 3.361 ( 0.000 5.285 -0.000) 5.285 3.553 ( 0.000 -7.190 -0.000) 7.190 3.628 ( 0.000 2.437 -0.000) 2.437 3.867 ( 0.000 1.710 0.000) 1.710 4.207 ( 0.000 5.441 -0.000) 5.441 4.258 ( 0.000 4.064 -0.000) 4.064 4.405 ( 0.000 7.510 0.000) 7.510 4.448 ( -0.000 -1.233 -0.000) 1.233 4.641 ( 0.000 -0.753 0.000) 0.753 4.767 ( 0.000 -4.663 -0.000) 4.663 4.809 ( 0.000 -3.476 0.000) 3.476 4.824 ( 0.000 2.776 -0.000) 2.776 4.889 ( -0.000 -4.257 -0.000) 4.257 5.165 ( -0.000 4.040 -0.000) 4.040 5.274 ( 0.000 3.084 0.000) 3.084 5.282 ( 0.000 -8.185 0.000) 8.185 5.409 ( 0.000 -2.347 -0.000) 2.347 5.444 ( 0.000 -2.196 0.000) 2.196 5.477 ( 0.000 3.953 0.000) 3.953 5.717 ( 0.000 -3.358 -0.000) 3.358 5.871 ( 0.000 0.056 -0.000) 0.056 5.885 ( -0.000 -0.118 -0.000) 0.118 5.998 ( 0.000 1.956 0.000) 1.956 6.008 ( -0.000 0.772 -0.000) 0.772 6.116 ( 0.000 2.089 -0.000) 2.089 6.195 ( 0.000 -0.127 -0.000) 0.127 6.234 ( 0.000 0.955 0.000) 0.955 6.419 ( 0.000 -4.857 0.000) 4.857 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 17.035 0.000) 17.035 1.337 ( 0.000 19.250 0.000) 19.250 1.515 ( 0.000 -12.480 0.000) 12.480 1.681 ( 0.000 -15.233 0.000) 15.233 1.971 ( 0.000 8.360 0.000) 8.360 2.102 ( 0.000 -5.308 0.000) 5.308 2.152 ( 0.000 3.002 0.000) 3.002 2.163 ( 0.000 -0.487 0.000) 0.487 2.276 ( 0.000 2.127 0.000) 2.127 2.353 ( 0.000 -0.606 0.000) 0.606 2.547 ( 0.000 8.313 0.000) 8.313 2.578 ( 0.000 19.012 0.000) 19.012 2.642 ( 0.000 4.312 0.000) 4.312 2.699 ( 0.000 -2.381 0.000) 2.381 2.712 ( 0.000 1.549 0.000) 1.549 2.844 ( 0.000 -2.908 0.000) 2.908 2.895 ( 0.000 -4.023 0.000) 4.023 3.024 ( 0.000 -10.439 0.000) 10.439 3.037 ( 0.000 2.667 0.000) 2.667 3.265 ( 0.000 -8.116 0.000) 8.116 3.290 ( 0.000 2.141 0.000) 2.141 3.325 ( 0.000 -12.867 0.000) 12.867 3.540 ( 0.000 1.111 0.000) 1.111 3.592 ( 0.000 -4.222 0.000) 4.222 4.343 ( 0.000 7.069 0.000) 7.069 4.430 ( 0.000 5.180 0.000) 5.180 4.451 ( 0.000 0.794 0.000) 0.794 4.476 ( 0.000 1.016 0.000) 1.016 4.496 ( 0.000 -6.511 0.000) 6.511 4.509 ( 0.000 -1.034 0.000) 1.034 4.911 ( 0.000 5.845 0.000) 5.845 5.038 ( 0.000 -4.657 0.000) 4.657 5.091 ( 0.000 0.324 0.000) 0.324 5.111 ( 0.000 -2.647 0.000) 2.647 5.333 ( 0.000 0.851 0.000) 0.851 5.346 ( 0.000 -0.049 0.000) 0.049 5.465 ( 0.000 1.939 0.000) 1.939 5.499 ( 0.000 -1.443 0.000) 1.443 5.635 ( 0.000 4.121 0.000) 4.121 5.726 ( 0.000 -4.503 0.000) 4.503 5.870 ( 0.000 2.259 0.000) 2.259 5.893 ( 0.000 -0.236 0.000) 0.236 5.938 ( 0.000 1.335 0.000) 1.335 5.973 ( 0.000 -1.798 0.000) 1.798 6.158 ( 0.000 -0.010 0.000) 0.010 6.167 ( 0.000 -0.789 0.000) 0.789 6.318 ( 0.000 1.495 0.000) 1.495 6.344 ( 0.000 -0.992 0.000) 0.992 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 4.050 15.950 2.318) 16.619 1.340 ( 0.518 17.965 1.123) 18.008 1.542 ( 2.569 -11.654 1.857) 12.077 1.665 ( -1.894 -14.674 0.959) 14.827 1.934 ( -3.450 7.901 1.714) 8.790 2.071 ( -2.559 -6.084 -0.542) 6.623 2.155 ( 0.253 7.100 -3.013) 7.717 2.205 ( 2.471 -0.485 2.652) 3.657 2.265 ( -1.070 0.522 0.399) 1.256 2.347 ( -0.274 -2.803 -1.534) 3.208 2.495 ( -4.580 8.081 -2.455) 9.607 2.605 ( -1.314 5.296 0.232) 5.462 2.617 ( 0.445 8.021 -0.725) 8.066 2.690 ( -1.146 -3.046 0.698) 3.329 2.703 ( 1.119 4.427 -4.818) 6.638 2.805 ( -2.880 -1.878 3.186) 4.687 2.875 ( -0.699 0.208 -0.409) 0.836 3.042 ( 0.508 -2.689 -0.803) 2.852 3.089 ( 4.839 -3.270 -0.905) 5.910 3.263 ( 0.501 -8.564 3.307) 9.194 3.302 ( 0.657 2.903 1.347) 3.267 3.394 ( 4.577 -11.413 -1.888) 12.440 3.565 ( 2.827 0.791 -0.243) 2.945 3.608 ( 1.877 -3.798 -0.358) 4.252 4.345 ( 0.111 7.012 0.644) 7.042 4.387 ( -2.330 3.091 1.226) 4.060 4.423 ( -2.462 0.578 -1.322) 2.854 4.505 ( 1.108 -7.406 1.907) 7.728 4.515 ( 3.180 3.582 -0.686) 4.839 4.562 ( 3.374 -0.272 -0.682) 3.453 4.900 ( -1.211 4.766 -0.919) 5.002 4.996 ( -3.550 -3.121 -0.595) 4.764 5.077 ( -1.997 0.787 0.114) 2.149 5.122 ( 1.295 -3.953 0.228) 4.166 5.326 ( -1.821 0.622 -0.171) 1.932 5.328 ( -1.898 0.395 -0.772) 2.087 5.438 ( -1.120 2.427 -2.183) 3.451 5.484 ( -0.610 -2.081 -1.526) 2.652 5.627 ( -1.517 4.495 -0.104) 4.745 5.724 ( -1.143 -4.755 -0.314) 4.901 5.861 ( -0.418 2.520 2.982) 3.926 5.898 ( 0.655 -1.249 1.773) 2.266 5.951 ( 0.937 1.075 0.493) 1.509 5.970 ( -0.554 -0.795 2.028) 2.248 6.160 ( 0.337 -0.224 -0.928) 1.013 6.165 ( -0.100 -0.545 -0.138) 0.571 6.310 ( -0.774 1.759 -0.407) 1.965 6.343 ( -0.045 -1.509 -0.744) 1.683 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 2.837 13.724 2.158) 14.179 1.401 ( 6.136 13.331 2.218) 14.842 1.606 ( -1.244 -11.601 2.446) 11.921 1.628 ( 2.780 -8.988 2.243) 9.672 1.849 ( -5.910 6.963 3.396) 9.744 2.000 ( -5.219 -7.465 1.992) 9.324 2.138 ( -1.459 8.018 -3.792) 8.988 2.210 ( -3.050 1.209 -3.921) 5.113 2.247 ( -0.156 1.728 1.581) 2.348 2.347 ( 0.186 -5.735 -3.032) 6.490 2.426 ( 0.123 7.423 -2.030) 7.696 2.555 ( -1.938 0.803 -0.923) 2.292 2.624 ( 0.556 -1.517 -1.793) 2.413 2.657 ( -2.305 -2.966 1.188) 3.940 2.727 ( -1.153 2.444 0.192) 2.709 2.785 ( 1.047 -1.689 0.360) 2.019 2.894 ( 3.018 6.891 -0.574) 7.545 3.049 ( 0.735 -3.786 -2.048) 4.367 3.180 ( 4.209 2.001 -0.202) 4.665 3.272 ( -1.548 1.564 4.588) 5.089 3.328 ( 2.642 -3.113 0.749) 4.151 3.437 ( 0.439 -8.365 -4.312) 9.421 3.638 ( 3.601 0.893 0.932) 3.825 3.684 ( 6.244 -4.546 1.113) 7.803 4.325 ( -2.156 4.301 -0.303) 4.821 4.375 ( -1.297 4.221 -0.762) 4.481 4.387 ( 0.822 1.547 1.674) 2.424 4.528 ( 0.918 -6.476 1.289) 6.667 4.585 ( 3.816 2.554 0.239) 4.598 4.618 ( 2.502 0.820 -1.084) 2.847 4.852 ( -3.565 1.805 -1.599) 4.304 4.911 ( -4.947 -3.030 -0.200) 5.805 5.026 ( -3.051 4.365 -0.499) 5.349 5.144 ( 0.356 -6.781 0.083) 6.790 5.270 ( -2.541 1.054 -0.597) 2.815 5.278 ( -2.168 0.491 0.041) 2.223 5.434 ( 0.144 2.319 -1.796) 2.937 5.477 ( -0.342 -1.820 -2.035) 2.752 5.577 ( -2.852 4.552 0.254) 5.377 5.674 ( -3.087 -4.675 0.847) 5.666 5.878 ( 1.038 1.996 2.146) 3.109 5.915 ( 0.021 -1.466 0.612) 1.588 5.964 ( 0.197 0.719 1.256) 1.460 5.974 ( 1.421 -0.363 2.013) 2.491 6.165 ( 0.249 0.113 -0.036) 0.276 6.170 ( 0.685 -0.377 -0.088) 0.787 6.289 ( -1.251 2.237 -0.479) 2.608 6.338 ( -0.335 -2.658 -1.071) 2.885 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 4.712 7.575 -0.193) 8.923 1.520 ( 4.128 10.852 2.298) 11.835 1.563 ( -1.300 -5.185 0.546) 5.373 1.725 ( -2.283 -6.604 3.165) 7.670 1.739 ( 0.887 4.961 3.672) 6.235 1.894 ( -4.270 -6.530 4.102) 8.815 2.074 ( -4.222 3.540 -1.731) 5.775 2.111 ( -5.311 1.442 -6.321) 8.381 2.268 ( 1.994 3.190 -0.956) 3.881 2.329 ( -0.936 -2.595 -2.990) 4.068 2.481 ( 4.021 5.436 0.586) 6.787 2.539 ( 0.074 2.980 -0.780) 3.082 2.614 ( -1.838 -1.694 0.686) 2.592 2.642 ( 1.338 -4.065 -1.389) 4.499 2.684 ( -2.657 1.296 0.528) 3.003 2.796 ( -0.068 -9.696 0.405) 9.705 2.969 ( 4.214 5.677 -2.591) 7.530 3.061 ( 0.651 -3.226 -2.056) 3.880 3.211 ( -2.395 5.037 3.390) 6.527 3.263 ( 1.307 3.173 3.611) 4.982 3.387 ( 2.760 -4.797 -0.926) 5.611 3.418 ( -0.915 -4.082 -4.382) 6.058 3.711 ( 3.574 5.237 1.909) 6.621 3.811 ( 5.581 -4.087 1.290) 7.037 4.284 ( -1.624 3.228 -0.044) 3.614 4.332 ( -2.369 0.124 -2.209) 3.241 4.429 ( 2.158 4.238 2.764) 5.500 4.527 ( -1.277 -2.176 -0.761) 2.636 4.654 ( 2.434 0.255 0.320) 2.468 4.662 ( 2.793 1.598 -0.061) 3.218 4.771 ( -3.785 -1.006 -1.412) 4.163 4.825 ( -3.300 -4.580 0.490) 5.666 4.962 ( -3.086 7.001 -0.750) 7.688 5.125 ( -1.754 -8.735 -0.519) 8.924 5.245 ( -0.048 2.640 0.034) 2.641 5.280 ( 1.978 -0.439 1.542) 2.546 5.405 ( -2.746 1.444 -1.456) 3.427 5.444 ( -2.473 -1.653 -1.242) 3.224 5.550 ( 0.096 4.160 0.122) 4.163 5.640 ( -0.519 -4.577 0.462) 4.630 5.884 ( -0.623 0.792 0.508) 1.129 5.897 ( -1.318 -0.534 -0.183) 1.434 5.991 ( 2.006 1.351 1.520) 2.856 6.012 ( 1.572 -0.540 1.371) 2.155 6.166 ( -0.240 1.230 -0.257) 1.279 6.183 ( 0.507 -0.517 0.189) 0.748 6.266 ( -0.821 2.258 -0.121) 2.406 6.328 ( -0.377 -3.867 -0.787) 3.964 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 3.337 0.000) 3.337 1.539 ( 0.000 6.320 0.000) 6.320 1.594 ( -0.000 -1.981 0.000) 1.981 1.615 ( 0.000 5.653 -0.000) 5.653 1.799 ( 0.000 -2.115 -0.000) 2.115 1.896 ( 0.000 -8.575 -0.000) 8.575 1.998 ( 0.000 5.629 0.000) 5.629 2.037 ( 0.000 0.186 0.000) 0.186 2.295 ( -0.000 1.683 -0.000) 1.683 2.311 ( 0.000 -1.534 -0.000) 1.534 2.526 ( 0.000 6.060 -0.000) 6.060 2.550 ( 0.000 5.548 -0.000) 5.548 2.602 ( 0.000 -2.432 0.000) 2.432 2.635 ( 0.000 2.749 -0.000) 2.749 2.663 ( 0.000 -4.896 -0.000) 4.896 2.794 ( 0.000 -12.398 0.000) 12.398 3.019 ( 0.000 2.028 0.000) 2.028 3.061 ( 0.000 -1.892 0.000) 1.892 3.179 ( 0.000 6.986 -0.000) 6.986 3.284 ( 0.000 -0.899 -0.000) 0.899 3.398 ( -0.000 -0.643 0.000) 0.643 3.417 ( 0.000 -5.059 -0.000) 5.059 3.757 ( 0.000 8.358 -0.000) 8.358 3.872 ( 0.000 -2.357 0.000) 2.357 4.278 ( 0.000 1.335 -0.000) 1.335 4.289 ( 0.000 -0.267 0.000) 0.267 4.464 ( 0.000 2.784 0.000) 2.784 4.498 ( -0.000 1.234 -0.000) 1.234 4.682 ( -0.000 1.647 0.000) 1.647 4.698 ( -0.000 1.541 0.000) 1.541 4.724 ( 0.000 -4.191 -0.000) 4.191 4.795 ( 0.000 -5.197 -0.000) 5.197 4.926 ( 0.000 7.554 0.000) 7.554 5.102 ( 0.000 -9.577 0.000) 9.577 5.250 ( 0.000 4.324 -0.000) 4.324 5.334 ( 0.000 -4.231 0.000) 4.231 5.345 ( -0.000 3.908 -0.000) 3.908 5.410 ( 0.000 -2.333 0.000) 2.333 5.556 ( 0.000 4.065 0.000) 4.065 5.639 ( 0.000 -4.272 -0.000) 4.272 5.875 ( 0.000 0.345 -0.000) 0.345 5.882 ( 0.000 -0.265 -0.000) 0.265 6.023 ( 0.000 0.635 0.000) 0.635 6.025 ( -0.000 0.587 -0.000) 0.587 6.160 ( 0.000 2.124 -0.000) 2.124 6.188 ( 0.000 -0.711 -0.000) 0.711 6.259 ( 0.000 1.967 0.000) 1.967 6.323 ( 0.000 -4.414 -0.000) 4.414 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 4.522 0.000 20.239) 20.738 0.444 ( -0.134 0.000 21.227) 21.227 0.813 ( 0.815 0.000 38.243) 38.251 1.787 ( -5.299 0.000 -2.581) 5.894 1.870 ( 5.341 0.000 3.409) 6.337 1.906 ( -0.211 0.000 -1.548) 1.562 2.140 ( -4.205 0.000 -4.599) 6.232 2.182 ( 0.983 0.000 0.604) 1.154 2.351 ( 1.040 0.000 -1.866) 2.137 2.419 ( 5.056 0.000 1.425) 5.253 2.457 ( 1.528 0.000 5.322) 5.537 2.540 ( 0.769 0.000 -0.534) 0.936 2.631 ( 0.464 0.000 -5.154) 5.175 2.686 ( -0.823 0.000 3.290) 3.391 2.775 ( 1.548 0.000 -3.214) 3.567 2.814 ( -0.603 0.000 0.562) 0.824 3.027 ( -0.992 0.000 2.496) 2.686 3.048 ( 1.196 0.000 0.004) 1.196 3.154 ( 2.176 0.000 1.083) 2.431 3.236 ( -2.524 0.000 -3.429) 4.258 3.472 ( -0.469 0.000 0.879) 0.996 3.584 ( 2.756 0.000 -3.015) 4.085 3.841 ( -2.566 0.000 -4.896) 5.528 3.980 ( -1.582 0.000 -1.079) 1.915 4.064 ( 0.871 0.000 1.370) 1.624 4.143 ( -0.511 0.000 0.951) 1.080 4.262 ( 6.372 0.000 -0.795) 6.421 4.434 ( -6.338 0.000 3.531) 7.255 4.641 ( 0.081 0.000 -3.127) 3.128 4.648 ( -2.700 0.000 4.817) 5.522 4.947 ( 1.426 0.000 -1.322) 1.944 4.982 ( -4.030 0.000 0.900) 4.129 5.062 ( 2.857 0.000 -4.421) 5.263 5.084 ( -1.856 0.000 0.668) 1.973 5.238 ( -1.857 0.000 2.307) 2.962 5.395 ( -4.099 0.000 -2.302) 4.701 5.418 ( -3.479 0.000 -1.390) 3.746 5.508 ( 1.159 0.000 1.051) 1.565 5.548 ( 0.565 0.000 3.534) 3.579 5.683 ( 3.011 0.000 0.994) 3.170 5.742 ( 0.573 0.000 -1.447) 1.557 5.862 ( 4.580 0.000 -1.646) 4.867 5.897 ( 8.537 0.000 -0.478) 8.550 5.962 ( -1.896 0.000 -1.261) 2.277 6.220 ( 0.688 0.000 0.624) 0.929 6.241 ( -0.225 0.000 -0.743) 0.776 6.251 ( 0.809 0.000 1.052) 1.327 6.367 ( -6.571 0.000 0.976) 6.643 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 10.841 0.000 15.320) 18.767 0.652 ( 14.487 0.000 14.903) 20.784 1.133 ( 20.838 0.000 28.796) 35.545 1.641 ( -8.498 0.000 -2.469) 8.850 1.912 ( 0.267 0.000 -0.313) 0.411 1.945 ( 1.320 0.000 2.273) 2.628 2.045 ( -3.588 0.000 -4.155) 5.490 2.191 ( 0.032 0.000 2.899) 2.899 2.352 ( -0.263 0.000 -1.168) 1.197 2.399 ( -2.482 0.000 0.841) 2.621 2.468 ( -1.632 0.000 3.699) 4.043 2.512 ( -4.293 0.000 -2.053) 4.759 2.633 ( -5.159 0.000 5.763) 7.735 2.673 ( 3.676 0.000 -4.423) 5.751 2.810 ( 2.198 0.000 -0.671) 2.298 2.824 ( 1.936 0.000 -1.642) 2.539 3.011 ( -4.979 0.000 1.573) 5.221 3.109 ( 4.105 0.000 -5.134) 6.573 3.163 ( -0.433 0.000 1.861) 1.910 3.195 ( -1.343 0.000 -3.473) 3.724 3.504 ( 3.842 0.000 -1.084) 3.992 3.599 ( -1.132 0.000 -1.186) 1.640 3.790 ( -1.152 0.000 -6.256) 6.361 3.925 ( -3.416 0.000 -2.859) 4.455 4.093 ( 1.465 0.000 1.076) 1.818 4.129 ( -1.049 0.000 -0.056) 1.050 4.276 ( -5.203 0.000 8.660) 10.103 4.426 ( 5.786 0.000 -3.308) 6.665 4.617 ( -1.379 0.000 8.152) 8.268 4.655 ( 2.049 0.000 -3.406) 3.975 4.913 ( -2.591 0.000 5.559) 6.134 4.968 ( 0.810 0.000 -1.436) 1.649 5.029 ( -3.309 0.000 -0.298) 3.322 5.122 ( 3.609 0.000 -3.434) 4.982 5.213 ( -0.988 0.000 2.688) 2.864 5.283 ( -5.321 0.000 -2.036) 5.698 5.368 ( -1.426 0.000 -2.382) 2.776 5.533 ( 0.089 0.000 -1.010) 1.014 5.561 ( 0.143 0.000 4.521) 4.523 5.723 ( 1.515 0.000 2.558) 2.973 5.794 ( 3.832 0.000 -1.526) 4.125 5.894 ( 1.763 0.000 -0.037) 1.764 5.923 ( -1.611 0.000 -2.197) 2.724 6.040 ( 2.242 0.000 -2.049) 3.037 6.222 ( -0.605 0.000 0.987) 1.157 6.228 ( -1.093 0.000 -0.939) 1.441 6.260 ( -0.179 0.000 1.679) 1.688 6.323 ( 1.834 0.000 -2.284) 2.929 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 14.593 0.000 8.735) 17.007 0.971 ( 14.528 0.000 9.169) 17.180 1.467 ( -8.528 0.000 -1.548) 8.667 1.606 ( 20.985 0.000 18.151) 27.746 1.861 ( -5.359 0.000 3.892) 6.623 1.926 ( -3.333 0.000 1.109) 3.513 2.040 ( 3.670 0.000 -5.965) 7.003 2.204 ( 0.247 0.000 4.816) 4.823 2.341 ( -0.934 0.000 0.947) 1.330 2.356 ( -2.100 0.000 3.077) 3.726 2.383 ( -6.382 0.000 -2.948) 7.030 2.441 ( -1.256 0.000 -1.171) 1.717 2.544 ( -5.280 0.000 4.945) 7.234 2.740 ( 3.507 0.000 -2.264) 4.174 2.831 ( -3.768 0.000 -2.773) 4.678 2.860 ( 2.717 0.000 0.171) 2.723 2.920 ( -1.579 0.000 3.129) 3.504 3.093 ( -1.955 0.000 -0.799) 2.112 3.165 ( -0.859 0.000 -3.263) 3.374 3.191 ( 1.289 0.000 -3.557) 3.784 3.523 ( -6.538 0.000 -1.227) 6.652 3.591 ( 4.504 0.000 -0.991) 4.612 3.776 ( 0.976 0.000 -6.815) 6.884 3.845 ( -3.952 0.000 -2.283) 4.564 4.108 ( -0.887 0.000 -0.081) 0.891 4.117 ( 0.345 0.000 -0.237) 0.418 4.209 ( -2.912 0.000 9.918) 10.337 4.530 ( 4.651 0.000 -3.043) 5.558 4.626 ( 0.757 0.000 8.118) 8.153 4.701 ( 3.222 0.000 -3.811) 4.990 4.885 ( -1.911 0.000 3.783) 4.238 4.966 ( -3.000 0.000 1.543) 3.373 4.972 ( 0.054 0.000 -2.298) 2.298 5.146 ( -1.700 0.000 -0.149) 1.706 5.189 ( -1.231 0.000 -3.212) 3.440 5.255 ( 3.061 0.000 1.177) 3.279 5.347 ( 0.122 0.000 -4.043) 4.045 5.515 ( -1.289 0.000 -0.848) 1.543 5.566 ( -0.517 0.000 3.486) 3.524 5.750 ( 0.700 0.000 0.874) 1.120 5.854 ( 2.273 0.000 -1.084) 2.519 5.899 ( -0.449 0.000 -1.753) 1.809 5.935 ( 2.264 0.000 0.766) 2.390 6.033 ( -1.882 0.000 1.333) 2.306 6.185 ( -2.959 0.000 0.456) 2.994 6.205 ( -1.271 0.000 1.104) 1.683 6.253 ( -0.779 0.000 1.666) 1.839 6.382 ( 4.248 0.000 -6.042) 7.386 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 12.968 0.000 5.581) 14.118 1.198 ( 5.282 0.000 4.587) 6.996 1.336 ( -3.295 0.000 1.915) 3.811 1.707 ( -7.142 0.000 3.248) 7.846 1.851 ( -3.342 0.000 -0.269) 3.352 2.005 ( 10.392 0.000 8.038) 13.138 2.102 ( 3.901 0.000 -0.166) 3.904 2.184 ( -2.666 0.000 -1.431) 3.026 2.289 ( -5.136 0.000 3.713) 6.338 2.347 ( 2.073 0.000 7.064) 7.362 2.360 ( 2.361 0.000 2.572) 3.491 2.426 ( 1.661 0.000 -3.472) 3.849 2.465 ( -1.926 0.000 0.119) 1.930 2.713 ( -5.912 0.000 0.593) 5.942 2.777 ( -0.351 0.000 0.772) 0.848 2.881 ( -2.027 0.000 1.791) 2.705 2.932 ( 0.531 0.000 -0.408) 0.670 3.092 ( 2.465 0.000 -5.977) 6.465 3.161 ( 1.245 0.000 -1.878) 2.253 3.176 ( -1.288 0.000 -2.201) 2.550 3.376 ( -6.621 0.000 -1.802) 6.862 3.655 ( 1.978 0.000 -0.726) 2.107 3.773 ( -3.142 0.000 -0.413) 3.170 3.793 ( 2.030 0.000 -6.164) 6.490 4.090 ( -2.531 0.000 0.391) 2.561 4.100 ( 0.036 0.000 0.965) 0.965 4.214 ( 0.857 0.000 9.110) 9.151 4.571 ( -0.037 0.000 0.206) 0.209 4.680 ( 2.895 0.000 3.926) 4.878 4.755 ( 2.760 0.000 -3.993) 4.854 4.844 ( -2.591 0.000 2.382) 3.519 4.927 ( -1.517 0.000 1.858) 2.399 4.964 ( -0.339 0.000 -2.958) 2.977 5.097 ( -2.061 0.000 -0.922) 2.257 5.177 ( -0.280 0.000 -2.581) 2.596 5.322 ( 2.974 0.000 -0.556) 3.026 5.362 ( 2.114 0.000 -3.499) 4.088 5.494 ( -0.537 0.000 0.534) 0.757 5.553 ( -1.301 0.000 2.079) 2.452 5.761 ( 0.645 0.000 -0.596) 0.878 5.877 ( 0.349 0.000 -0.432) 0.556 5.890 ( -0.283 0.000 -0.718) 0.772 5.976 ( 0.148 0.000 0.149) 0.210 5.990 ( -0.922 0.000 1.506) 1.766 6.126 ( -2.972 0.000 0.927) 3.114 6.184 ( -0.934 0.000 0.327) 0.990 6.238 ( -1.130 0.000 1.259) 1.692 6.449 ( 3.557 0.000 -5.100) 6.218 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.188 0.000 1.635) 2.021 1.320 ( -3.191 0.000 3.669) 4.862 1.342 ( -0.818 0.000 3.841) 3.927 1.646 ( 3.696 0.000 6.484) 7.463 1.824 ( 0.508 0.000 -0.968) 1.093 1.966 ( -8.407 0.000 -2.768) 8.851 2.120 ( -4.321 0.000 -2.803) 5.150 2.194 ( -2.980 0.000 5.559) 6.308 2.270 ( 7.249 0.000 9.183) 11.699 2.360 ( -1.296 0.000 -3.141) 3.398 2.422 ( 3.259 0.000 6.459) 7.235 2.509 ( 6.063 0.000 2.110) 6.420 2.571 ( 9.799 0.000 -1.872) 9.976 2.627 ( -3.061 0.000 1.300) 3.325 2.659 ( -12.774 0.000 0.712) 12.794 2.825 ( -1.656 0.000 1.185) 2.036 2.922 ( -1.125 0.000 -2.071) 2.357 3.076 ( -2.012 0.000 -6.014) 6.342 3.203 ( 2.879 0.000 0.242) 2.889 3.236 ( 6.090 0.000 -1.744) 6.335 3.300 ( -0.526 0.000 -1.971) 2.040 3.660 ( -0.960 0.000 -2.275) 2.469 3.733 ( -0.450 0.000 -0.465) 0.647 3.830 ( 2.470 0.000 -3.324) 4.141 4.042 ( -2.340 0.000 1.044) 2.562 4.112 ( 0.742 0.000 2.045) 2.176 4.255 ( 1.210 0.000 8.940) 9.022 4.541 ( -2.615 0.000 0.079) 2.616 4.727 ( 1.184 0.000 1.955) 2.285 4.781 ( 0.627 0.000 -3.933) 3.983 4.819 ( -0.176 0.000 2.689) 2.694 4.904 ( -1.357 0.000 1.064) 1.724 4.948 ( -0.625 0.000 -3.537) 3.592 5.074 ( -0.175 0.000 -1.613) 1.623 5.160 ( -0.619 0.000 -3.486) 3.540 5.360 ( 1.183 0.000 -0.495) 1.282 5.408 ( 2.816 0.000 -1.375) 3.134 5.495 ( 0.248 0.000 1.121) 1.148 5.528 ( -1.557 0.000 0.671) 1.695 5.774 ( 0.564 0.000 -0.447) 0.720 5.856 ( -1.731 0.000 -1.091) 2.046 5.907 ( 1.814 0.000 1.147) 2.146 5.923 ( -2.976 0.000 -1.418) 3.297 6.017 ( 0.395 0.000 1.394) 1.449 6.088 ( -0.463 0.000 0.732) 0.866 6.171 ( -0.253 0.000 -0.985) 1.017 6.214 ( -1.502 0.000 0.619) 1.625 6.496 ( 2.205 0.000 -3.495) 4.132 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -14.577 0.000 4.201) 15.170 1.163 ( -7.169 0.000 3.380) 7.926 1.336 ( 3.939 0.000 1.471) 4.205 1.722 ( -15.692 0.000 2.292) 15.858 1.818 ( 8.265 0.000 7.978) 11.487 1.842 ( 1.034 0.000 0.103) 1.039 2.049 ( -0.895 0.000 -1.225) 1.517 2.196 ( 1.262 0.000 1.497) 1.958 2.300 ( -4.292 0.000 -0.918) 4.389 2.373 ( -12.140 0.000 -0.595) 12.155 2.410 ( 4.079 0.000 4.698) 6.222 2.497 ( 2.626 0.000 3.624) 4.476 2.600 ( 0.789 0.000 5.282) 5.341 2.666 ( 8.067 0.000 1.605) 8.225 2.698 ( 2.418 0.000 -2.613) 3.560 2.838 ( 2.736 0.000 -0.712) 2.827 2.889 ( -1.582 0.000 -2.141) 2.662 3.007 ( -3.461 0.000 -5.785) 6.742 3.261 ( 2.656 0.000 1.243) 2.933 3.327 ( 4.473 0.000 -1.080) 4.601 3.341 ( 2.623 0.000 -2.595) 3.690 3.621 ( -2.401 0.000 -2.667) 3.588 3.773 ( 5.311 0.000 -3.247) 6.225 3.867 ( 1.772 0.000 -1.216) 2.149 4.006 ( -1.617 0.000 1.365) 2.116 4.132 ( 0.805 0.000 2.383) 2.516 4.266 ( -2.548 0.000 6.736) 7.202 4.508 ( 0.081 0.000 1.559) 1.561 4.735 ( -1.018 0.000 2.502) 2.701 4.763 ( -1.632 0.000 -3.760) 4.099 4.843 ( 2.179 0.000 2.158) 3.067 4.884 ( -0.528 0.000 2.274) 2.334 4.929 ( -0.458 0.000 -3.894) 3.921 5.067 ( -0.461 0.000 -4.258) 4.283 5.162 ( 1.898 0.000 -1.528) 2.437 5.365 ( -0.796 0.000 1.402) 1.612 5.455 ( 1.761 0.000 0.868) 1.964 5.497 ( -1.457 0.000 -0.870) 1.697 5.508 ( 1.203 0.000 -0.180) 1.217 5.761 ( -2.405 0.000 1.414) 2.790 5.826 ( -0.722 0.000 -3.033) 3.118 5.869 ( -2.103 0.000 -2.355) 3.157 5.959 ( 2.810 0.000 2.276) 3.616 5.996 ( -2.042 0.000 0.031) 2.042 6.119 ( 2.736 0.000 0.645) 2.811 6.167 ( -0.227 0.000 -1.647) 1.663 6.189 ( -0.543 0.000 -0.224) 0.587 6.520 ( 0.802 0.000 -2.057) 2.208 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -17.885 0.000 4.326) 18.401 0.922 ( -16.779 0.000 7.523) 18.389 1.350 ( -22.790 0.000 13.980) 26.736 1.503 ( 10.895 0.000 0.367) 10.901 1.866 ( 1.340 0.000 -0.628) 1.480 1.961 ( 2.842 0.000 5.067) 5.810 2.077 ( 3.123 0.000 -1.240) 3.360 2.152 ( -4.501 0.000 3.194) 5.519 2.237 ( 2.908 0.000 -0.069) 2.909 2.268 ( -2.365 0.000 -4.198) 4.819 2.472 ( 0.827 0.000 5.075) 5.142 2.517 ( -0.170 0.000 0.890) 0.906 2.660 ( 2.480 0.000 7.607) 8.001 2.700 ( -0.662 0.000 -3.376) 3.441 2.792 ( 3.091 0.000 -1.635) 3.496 2.840 ( -2.889 0.000 -3.440) 4.493 2.884 ( 3.184 0.000 -0.138) 3.187 2.991 ( 3.451 0.000 -3.264) 4.750 3.302 ( 1.134 0.000 0.745) 1.357 3.327 ( -3.500 0.000 -2.593) 4.356 3.424 ( 5.536 0.000 -4.748) 7.293 3.561 ( -3.167 0.000 -1.503) 3.506 3.892 ( 0.836 0.000 -0.422) 0.937 3.914 ( 9.123 0.000 -5.669) 10.741 3.988 ( -0.282 0.000 1.974) 1.994 4.146 ( 0.129 0.000 1.948) 1.952 4.191 ( -5.300 0.000 3.431) 6.314 4.540 ( 1.344 0.000 3.983) 4.204 4.699 ( -2.720 0.000 4.085) 4.908 4.713 ( -2.477 0.000 -3.490) 4.280 4.896 ( 2.121 0.000 4.667) 5.126 4.918 ( 0.230 0.000 -3.558) 3.566 4.927 ( 4.972 0.000 3.077) 5.847 5.044 ( -0.524 0.000 -5.605) 5.630 5.222 ( 3.836 0.000 -0.289) 3.847 5.344 ( -1.257 0.000 3.244) 3.479 5.444 ( -2.078 0.000 -0.700) 2.193 5.500 ( 1.122 0.000 0.991) 1.497 5.546 ( 2.796 0.000 -1.042) 2.984 5.690 ( -4.931 0.000 1.044) 5.040 5.804 ( -1.202 0.000 -3.310) 3.522 5.833 ( -1.170 0.000 -2.500) 2.760 5.949 ( -2.670 0.000 -1.343) 2.989 6.002 ( 0.710 0.000 2.448) 2.549 6.163 ( 0.823 0.000 -0.874) 1.200 6.177 ( 2.931 0.000 0.212) 2.939 6.199 ( 1.315 0.000 -0.979) 1.640 6.521 ( -0.390 0.000 -1.452) 1.504 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -14.806 0.000 9.678) 17.689 0.602 ( -16.621 0.000 14.007) 21.736 0.962 ( -19.589 0.000 29.242) 35.197 1.709 ( 9.427 0.000 1.451) 9.538 1.869 ( -1.461 0.000 -1.013) 1.778 1.937 ( -2.630 0.000 -0.979) 2.807 2.141 ( 3.186 0.000 -0.705) 3.264 2.186 ( 1.955 0.000 5.092) 5.454 2.238 ( 2.492 0.000 1.439) 2.878 2.306 ( 3.786 0.000 -1.495) 4.071 2.470 ( -1.437 0.000 3.612) 3.888 2.519 ( 0.695 0.000 -0.226) 0.731 2.665 ( -1.903 0.000 -4.490) 4.877 2.689 ( -0.434 0.000 4.452) 4.473 2.784 ( -1.369 0.000 -4.037) 4.263 2.813 ( 0.596 0.000 0.799) 0.997 2.982 ( 5.108 0.000 -0.898) 5.187 3.070 ( 4.179 0.000 -1.214) 4.352 3.193 ( -9.207 0.000 -4.440) 10.221 3.294 ( -2.040 0.000 -1.644) 2.620 3.502 ( -2.562 0.000 0.889) 2.712 3.516 ( 4.820 0.000 -4.749) 6.767 3.888 ( -1.194 0.000 -2.164) 2.471 3.982 ( 0.555 0.000 1.725) 1.812 4.073 ( 2.299 0.000 -6.962) 7.331 4.130 ( 3.144 0.000 4.517) 5.503 4.147 ( -0.256 0.000 1.611) 1.632 4.531 ( -3.432 0.000 3.004) 4.561 4.663 ( -1.714 0.000 -3.197) 3.627 4.672 ( -0.940 0.000 4.365) 4.465 4.925 ( 1.080 0.000 -2.439) 2.668 4.971 ( 3.907 0.000 4.541) 5.990 5.035 ( 0.916 0.000 -5.314) 5.392 5.044 ( 5.438 0.000 3.335) 6.380 5.263 ( -0.486 0.000 1.409) 1.490 5.369 ( 3.672 0.000 1.456) 3.951 5.425 ( 1.206 0.000 0.783) 1.438 5.518 ( 0.606 0.000 1.660) 1.767 5.576 ( -5.514 0.000 0.928) 5.591 5.613 ( 3.099 0.000 -1.338) 3.376 5.766 ( -1.849 0.000 -2.248) 2.911 5.801 ( -1.963 0.000 -1.602) 2.534 5.893 ( -2.266 0.000 -1.216) 2.571 5.996 ( -1.361 0.000 0.617) 1.494 6.194 ( 1.829 0.000 0.227) 1.843 6.225 ( 1.864 0.000 -0.300) 1.888 6.227 ( 1.492 0.000 -0.197) 1.505 6.488 ( -3.369 0.000 -2.898) 4.444 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 3.752 16.807 12.925) 21.532 0.635 ( 0.652 15.227 14.869) 21.293 1.154 ( 0.212 28.555 24.127) 37.384 1.787 ( -3.386 -0.673 -1.408) 3.728 1.887 ( 4.576 2.932 2.066) 5.814 1.947 ( -0.996 3.494 -0.790) 3.719 2.120 ( -0.734 -3.634 -0.066) 3.707 2.158 ( -1.415 -0.501 -3.199) 3.534 2.301 ( 2.462 -7.222 -0.024) 7.630 2.351 ( -0.120 0.208 -1.518) 1.537 2.442 ( 1.017 -0.198 4.834) 4.944 2.477 ( 0.321 -6.494 1.191) 6.610 2.588 ( 0.190 -0.889 4.030) 4.132 2.666 ( 0.137 -0.069 -4.769) 4.772 2.804 ( -1.628 -1.747 1.193) 2.669 2.908 ( -0.153 4.698 -3.179) 5.675 2.981 ( 2.176 0.413 0.433) 2.257 3.123 ( 1.034 2.896 1.048) 3.249 3.152 ( -0.068 0.949 1.972) 2.190 3.200 ( -2.090 -3.284 -4.035) 5.606 3.408 ( 0.261 -6.044 1.100) 6.149 3.560 ( 1.000 -1.988 -2.291) 3.194 3.755 ( -2.141 -5.627 -2.381) 6.474 3.990 ( -0.781 -1.758 -4.212) 4.630 4.172 ( 0.924 7.822 -0.553) 7.896 4.182 ( 3.691 0.060 2.692) 4.569 4.247 ( 0.234 3.996 1.508) 4.277 4.420 ( -3.342 -0.669 2.723) 4.362 4.559 ( -2.568 -2.275 5.129) 6.171 4.808 ( 0.293 1.452 0.994) 1.784 4.893 ( 1.574 -2.650 -0.320) 3.099 5.008 ( -3.586 1.299 -1.205) 4.000 5.064 ( 1.904 0.712 -2.970) 3.599 5.139 ( -0.731 4.639 -0.447) 4.718 5.235 ( -1.753 1.125 -0.694) 2.195 5.376 ( -1.083 -0.676 0.127) 1.283 5.426 ( -0.602 -0.466 -0.631) 0.989 5.473 ( -0.056 -1.283 -0.234) 1.305 5.564 ( -0.186 -0.196 -0.729) 0.778 5.740 ( -1.465 3.284 -1.962) 4.096 5.747 ( 1.296 0.585 -2.437) 2.821 5.863 ( 4.565 -0.292 -4.210) 6.217 5.894 ( 4.673 -0.435 -0.671) 4.741 5.966 ( -0.187 0.259 -1.227) 1.268 6.213 ( 0.068 -0.548 0.589) 0.808 6.239 ( 0.525 -0.801 1.896) 2.124 6.260 ( -0.219 1.243 -0.249) 1.287 6.363 ( -3.868 -0.057 1.219) 4.056 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 7.575 12.762 11.617) 18.847 0.790 ( 10.680 12.126 12.788) 20.606 1.373 ( 15.080 20.927 20.666) 33.052 1.685 ( -6.633 4.062 -1.814) 7.986 1.916 ( -0.237 -0.055 1.411) 1.431 1.973 ( 0.725 3.609 0.688) 3.745 2.064 ( -2.286 1.427 -3.042) 4.064 2.147 ( 0.104 -3.865 1.554) 4.167 2.314 ( -0.897 -6.361 -1.199) 6.535 2.340 ( -0.425 -3.038 -1.424) 3.382 2.451 ( -0.948 -0.702 2.319) 2.601 2.473 ( -1.793 -3.067 -0.199) 3.558 2.598 ( -0.676 -1.106 4.332) 4.522 2.649 ( -1.140 -1.545 -2.606) 3.237 2.772 ( -0.204 -1.836 0.460) 1.903 2.902 ( -0.827 -0.369 -1.613) 1.850 2.987 ( -1.680 1.805 1.127) 2.711 3.140 ( 0.661 1.991 -2.010) 2.905 3.150 ( 0.110 -1.733 1.616) 2.372 3.183 ( -0.280 0.168 -2.739) 2.758 3.462 ( 5.006 -4.057 -0.418) 6.457 3.562 ( -0.875 -2.895 -1.487) 3.371 3.712 ( -1.138 -5.146 -3.798) 6.496 3.946 ( -3.053 -0.216 -3.248) 4.463 4.170 ( -0.373 6.650 -1.108) 6.752 4.221 ( 0.007 4.482 0.509) 4.511 4.255 ( -1.730 0.879 7.768) 8.007 4.409 ( 3.692 0.576 -2.489) 4.490 4.544 ( -0.431 -3.379 6.370) 7.223 4.820 ( 0.705 3.999 0.290) 4.071 4.905 ( -2.317 -0.545 3.066) 3.881 4.942 ( -0.142 -0.628 -1.080) 1.257 5.048 ( -3.744 1.400 -0.198) 4.002 5.124 ( 1.014 2.640 -5.377) 6.075 5.218 ( 0.111 0.868 1.985) 2.169 5.288 ( -5.060 0.478 -1.693) 5.357 5.402 ( -1.243 1.421 -2.356) 3.019 5.509 ( 0.994 -2.280 -0.517) 2.540 5.544 ( -1.021 -1.168 1.845) 2.410 5.742 ( 0.782 1.371 0.254) 1.598 5.791 ( 3.212 0.268 -1.129) 3.415 5.892 ( 1.245 -0.242 -1.673) 2.099 5.920 ( -0.398 -0.169 -0.801) 0.911 6.033 ( 3.125 -0.844 -2.326) 3.986 6.204 ( -0.305 -1.205 0.731) 1.442 6.235 ( -1.973 -0.193 1.057) 2.246 6.250 ( -0.008 0.139 1.100) 1.109 6.334 ( 0.615 0.783 -1.421) 1.735 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 11.963 7.181 6.993) 15.607 1.047 ( 12.362 7.527 9.145) 17.120 1.532 ( -7.440 6.354 -1.581) 9.911 1.711 ( 12.498 8.538 13.821) 20.497 1.886 ( -3.431 0.780 3.420) 4.907 1.912 ( -4.692 0.485 0.080) 4.717 2.092 ( 3.683 4.203 -3.714) 6.710 2.174 ( 2.422 -2.158 4.329) 5.410 2.274 ( -2.620 -5.865 0.734) 6.466 2.317 ( -1.533 -1.724 -0.956) 2.497 2.412 ( -3.266 2.008 1.309) 4.051 2.439 ( 0.590 -1.577 -2.916) 3.367 2.548 ( -4.862 0.549 4.447) 6.612 2.672 ( 3.763 -4.772 -5.077) 7.918 2.793 ( 0.504 -2.720 3.320) 4.321 2.811 ( -6.331 -2.390 1.507) 6.933 2.998 ( 2.014 3.655 -0.724) 4.235 3.128 ( -1.067 3.054 0.439) 3.264 3.151 ( -0.487 -1.113 -1.155) 1.676 3.184 ( 1.357 -1.670 -4.934) 5.383 3.497 ( -5.388 -1.701 -1.920) 5.968 3.565 ( 4.520 -2.492 0.100) 5.162 3.712 ( 1.721 -4.091 -3.637) 5.738 3.863 ( -4.538 0.425 -2.154) 5.042 4.151 ( -1.248 5.022 -0.602) 5.210 4.209 ( -1.565 4.043 2.206) 4.865 4.245 ( 0.068 5.701 5.588) 7.983 4.497 ( 4.111 -1.051 -2.835) 5.103 4.565 ( 1.853 -4.084 6.162) 7.621 4.828 ( -0.087 6.578 -1.545) 6.758 4.869 ( -1.357 -1.858 4.208) 4.795 4.953 ( 0.396 -2.052 -1.447) 2.542 4.961 ( -4.711 0.206 1.547) 4.963 5.130 ( 0.403 -0.246 -2.964) 3.001 5.196 ( -2.777 1.116 -2.859) 4.139 5.263 ( 2.889 0.719 1.028) 3.149 5.379 ( -0.300 1.855 -3.263) 3.765 5.493 ( -1.547 -1.743 -0.813) 2.468 5.541 ( -0.506 -2.459 2.634) 3.639 5.748 ( 0.056 -0.485 -0.851) 0.981 5.846 ( 2.212 -0.231 -0.958) 2.421 5.893 ( -0.274 -0.397 -1.676) 1.744 5.943 ( 2.101 0.763 0.886) 2.404 6.043 ( -1.324 0.637 1.389) 2.021 6.184 ( -3.150 -0.075 0.651) 3.217 6.202 ( -0.420 -0.410 0.746) 0.949 6.250 ( -0.387 -0.208 1.183) 1.262 6.368 ( 3.107 -1.217 -4.684) 5.751 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 10.196 3.103 3.801) 11.315 1.258 ( 6.096 5.653 5.307) 9.863 1.412 ( -2.643 6.682 1.444) 7.330 1.727 ( -7.079 0.983 1.990) 7.419 1.817 ( -3.773 -1.361 1.656) 4.339 1.986 ( 6.741 -1.830 6.865) 9.794 2.073 ( -4.287 -0.417 -4.408) 6.163 2.214 ( -1.475 -0.832 2.480) 3.003 2.271 ( 1.681 -5.780 5.238) 7.980 2.326 ( 1.281 3.891 0.569) 4.136 2.378 ( 1.254 0.802 1.604) 2.188 2.460 ( -3.853 0.778 0.647) 3.984 2.496 ( 6.150 3.687 -2.765) 7.685 2.657 ( -5.700 -2.538 1.378) 6.389 2.764 ( 2.963 -3.072 -1.557) 4.543 2.821 ( 0.777 -0.923 3.257) 3.473 3.016 ( -0.778 4.165 0.152) 4.240 3.112 ( 0.254 0.882 -3.057) 3.192 3.172 ( 3.103 1.252 -1.282) 3.583 3.188 ( -0.204 -0.251 -3.763) 3.777 3.357 ( -7.703 -0.534 -1.040) 7.791 3.629 ( 2.016 -2.333 0.814) 3.189 3.726 ( -1.304 -4.132 -2.272) 4.892 3.796 ( -0.430 1.159 -2.402) 2.701 4.131 ( -0.712 4.814 1.130) 4.996 4.181 ( -1.352 5.344 1.725) 5.776 4.268 ( 0.974 5.489 4.942) 7.450 4.531 ( 0.100 -2.479 1.356) 2.827 4.638 ( 3.760 -3.239 1.687) 5.242 4.813 ( -1.028 2.197 -2.335) 3.367 4.844 ( -2.269 0.178 2.379) 3.293 4.901 ( -1.411 -1.419 2.560) 3.250 4.948 ( -0.364 -1.837 -1.946) 2.701 5.113 ( -1.453 1.604 -0.546) 2.232 5.177 ( 0.940 0.327 -3.735) 3.866 5.316 ( 2.267 -0.263 -1.940) 2.995 5.383 ( 1.277 1.183 -2.592) 3.122 5.470 ( -0.489 -1.725 1.183) 2.148 5.526 ( -1.415 -2.671 1.616) 3.428 5.751 ( 0.619 -1.022 -1.065) 1.601 5.864 ( -0.115 -1.010 -1.411) 1.739 5.885 ( -0.107 -0.312 -0.605) 0.689 5.988 ( 2.092 0.676 1.381) 2.596 6.003 ( -2.694 1.469 0.802) 3.171 6.125 ( -2.835 0.092 0.744) 2.933 6.192 ( -0.564 0.527 0.341) 0.844 6.239 ( -0.950 0.132 0.842) 1.276 6.422 ( 3.203 -2.464 -4.575) 6.104 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -1.368 5.741 1.352) 6.054 1.318 ( -0.810 2.699 3.734) 4.678 1.439 ( -3.204 6.529 1.768) 7.485 1.660 ( 3.853 -1.360 5.293) 6.687 1.770 ( -2.479 -2.755 1.487) 3.994 1.932 ( -5.764 -2.635 -3.306) 7.149 2.092 ( 1.516 -0.445 0.943) 1.840 2.177 ( -2.494 -0.191 2.375) 3.449 2.291 ( 0.975 -2.452 5.397) 6.007 2.376 ( 3.336 -0.110 4.032) 5.234 2.400 ( -1.436 0.608 -1.657) 2.275 2.460 ( 4.978 -2.221 -0.371) 5.464 2.565 ( -3.941 -1.419 2.417) 4.836 2.623 ( 5.350 1.799 -1.679) 5.889 2.744 ( -4.798 2.253 1.549) 5.523 2.878 ( 3.928 4.134 -1.100) 5.808 2.957 ( -5.622 4.984 1.561) 7.674 3.095 ( -1.220 1.461 -5.833) 6.136 3.193 ( 1.551 -0.676 -0.354) 1.729 3.239 ( 0.422 -3.513 -1.297) 3.769 3.282 ( 4.592 2.258 -0.383) 5.132 3.638 ( -1.894 -1.704 -1.384) 2.899 3.689 ( -0.065 -4.563 1.005) 4.673 3.812 ( 1.362 0.135 -2.973) 3.273 4.123 ( -0.676 6.411 1.606) 6.643 4.173 ( 0.234 5.226 1.604) 5.472 4.297 ( 0.692 4.036 6.285) 7.501 4.516 ( -1.567 -1.595 1.008) 2.453 4.694 ( 1.661 -2.786 1.161) 3.445 4.784 ( -0.670 -0.977 -2.915) 3.146 4.825 ( -0.243 0.291 2.037) 2.072 4.884 ( -1.242 -1.079 1.795) 2.435 4.935 ( -0.569 -1.681 -2.267) 2.879 5.095 ( -0.144 2.243 -1.155) 2.527 5.176 ( -0.451 1.499 -4.046) 4.338 5.357 ( 2.738 -1.172 -2.000) 3.587 5.409 ( 1.709 -0.075 -1.324) 2.163 5.466 ( -1.417 -1.714 2.209) 3.135 5.507 ( -0.188 -2.063 0.721) 2.193 5.764 ( 0.411 -1.145 -0.237) 1.240 5.843 ( -1.248 -0.939 -2.303) 2.783 5.894 ( 0.967 -0.795 0.147) 1.261 5.949 ( -2.398 1.945 -0.319) 3.104 6.016 ( -0.080 -0.053 1.071) 1.075 6.094 ( 0.132 0.906 0.821) 1.230 6.183 ( -0.393 0.713 -0.820) 1.156 6.218 ( -1.289 0.408 0.231) 1.371 6.467 ( 2.054 -2.875 -3.177) 4.752 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -11.720 4.249 2.497) 12.715 1.226 ( -9.827 5.702 4.048) 12.061 1.385 ( 3.800 4.636 0.643) 6.029 1.646 ( -6.731 -4.773 2.062) 8.505 1.825 ( 4.089 0.975 2.144) 4.719 1.908 ( 4.523 3.286 3.436) 6.562 2.059 ( -3.052 1.653 0.637) 3.529 2.182 ( 1.840 -0.797 0.432) 2.051 2.303 ( -0.935 -3.738 -1.368) 4.089 2.369 ( -6.365 1.026 1.608) 6.644 2.421 ( 1.570 0.928 2.010) 2.714 2.485 ( 0.423 -0.206 2.639) 2.681 2.589 ( 4.476 -2.423 -0.951) 5.178 2.658 ( -1.594 3.051 5.753) 6.704 2.694 ( 1.870 -0.890 -1.874) 2.793 2.840 ( -4.468 0.698 1.477) 4.758 2.946 ( 2.693 4.660 -2.216) 5.821 3.053 ( -2.216 3.617 -4.586) 6.247 3.218 ( 1.234 -2.928 1.344) 3.450 3.274 ( 3.051 -6.671 -3.137) 7.978 3.408 ( 6.114 6.268 -0.013) 8.756 3.578 ( -3.194 -3.761 -2.272) 5.432 3.719 ( 2.427 -4.579 -0.073) 5.183 3.834 ( 1.765 -1.124 -1.832) 2.781 4.109 ( -0.936 7.511 1.149) 7.656 4.188 ( 0.669 4.531 1.361) 4.778 4.300 ( -1.983 3.415 6.132) 7.293 4.500 ( 0.044 -0.260 1.434) 1.458 4.710 ( -0.434 -2.169 2.669) 3.466 4.774 ( 0.226 -0.774 -3.383) 3.478 4.844 ( 1.381 0.046 1.692) 2.185 4.862 ( -0.413 -0.538 2.351) 2.447 4.921 ( -0.154 -1.133 -2.666) 2.901 5.094 ( 0.048 2.685 -3.492) 4.405 5.171 ( 1.464 0.948 -2.012) 2.663 5.388 ( -0.896 2.062 0.759) 2.373 5.435 ( -0.725 -4.119 0.340) 4.196 5.449 ( 2.675 -1.618 -0.598) 3.182 5.514 ( 0.732 -0.186 0.264) 0.800 5.746 ( -2.484 -1.570 0.410) 2.967 5.821 ( -0.516 -0.280 -3.582) 3.630 5.885 ( -1.456 1.212 -1.936) 2.708 5.954 ( 2.235 -0.346 2.130) 3.107 5.992 ( -1.971 -0.200 -0.194) 1.991 6.126 ( 2.206 0.801 0.676) 2.442 6.172 ( -0.505 0.316 -1.088) 1.240 6.200 ( -0.066 0.964 -0.754) 1.226 6.488 ( 0.625 -3.018 -1.715) 3.527 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -15.983 6.924 2.334) 17.574 0.974 ( -15.307 6.418 8.710) 18.744 1.460 ( -7.357 7.726 6.608) 12.549 1.577 ( 6.833 7.711 1.701) 10.443 1.843 ( -0.071 -1.808 0.455) 1.866 2.023 ( 2.052 4.981 4.637) 7.107 2.045 ( 1.428 -1.855 -0.410) 2.377 2.178 ( -2.547 0.667 0.179) 2.639 2.254 ( -0.912 2.359 1.233) 2.814 2.277 ( -0.117 0.779 -3.856) 3.935 2.463 ( 0.423 -0.922 3.234) 3.389 2.491 ( -0.321 -3.032 1.027) 3.217 2.617 ( -1.730 -1.618 6.204) 6.641 2.693 ( -1.067 -0.740 -2.265) 2.611 2.704 ( 4.480 -3.602 -1.423) 5.921 2.843 ( 3.943 -3.040 0.973) 5.074 2.958 ( -1.638 5.447 -2.896) 6.383 3.029 ( 1.780 3.527 -2.220) 4.531 3.235 ( -0.354 -3.172 0.181) 3.196 3.304 ( 0.168 -5.350 -2.425) 5.876 3.472 ( -0.390 1.695 -1.569) 2.343 3.526 ( -0.457 -0.826 -1.696) 1.941 3.770 ( 2.212 -6.520 -0.027) 6.885 3.890 ( 4.728 -3.213 -3.171) 6.537 4.094 ( -0.856 7.549 1.439) 7.732 4.191 ( -0.690 3.172 0.432) 3.275 4.264 ( -1.992 6.735 4.488) 8.335 4.501 ( -1.057 -3.207 2.687) 4.316 4.681 ( -2.913 -1.506 2.576) 4.170 4.802 ( 2.563 5.310 -2.492) 6.401 4.834 ( -0.585 -4.423 3.992) 5.987 4.928 ( 2.388 -0.730 -0.197) 2.505 4.933 ( 4.455 1.906 0.268) 4.853 5.088 ( 0.601 3.855 -4.407) 5.886 5.223 ( 3.335 0.357 -0.633) 3.413 5.346 ( -2.577 -0.400 2.872) 3.880 5.429 ( -0.476 -0.989 -0.165) 1.110 5.492 ( 1.898 -0.936 -1.193) 2.429 5.553 ( 3.242 0.403 0.271) 3.278 5.680 ( -3.806 -0.868 -1.219) 4.089 5.797 ( -1.280 -0.466 -3.582) 3.833 5.857 ( -1.113 1.946 -2.240) 3.169 5.945 ( -2.655 -0.369 -1.291) 2.976 5.994 ( 0.707 -0.823 2.274) 2.520 6.158 ( 1.151 -0.189 -0.510) 1.273 6.180 ( 1.743 0.118 -0.123) 1.752 6.217 ( 1.688 1.459 -0.631) 2.318 6.484 ( -0.862 -3.185 -0.693) 3.371 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -8.975 13.571 7.956) 18.111 0.724 ( -11.424 12.006 12.330) 20.656 1.256 ( -12.417 23.562 18.052) 32.175 1.753 ( 8.156 4.444 2.264) 9.560 1.835 ( -1.083 -2.232 -1.472) 2.884 1.991 ( -2.947 4.494 -1.328) 5.536 2.086 ( 3.223 -5.161 -0.618) 6.116 2.187 ( -0.323 0.050 1.613) 1.646 2.248 ( 1.624 -0.383 0.007) 1.668 2.320 ( 3.128 2.675 0.166) 4.119 2.443 ( -1.746 -1.053 0.891) 2.225 2.481 ( -1.018 -6.311 1.553) 6.579 2.591 ( -1.209 -1.501 3.863) 4.317 2.675 ( -0.242 -0.444 -4.470) 4.498 2.785 ( 3.048 -2.543 2.247) 4.562 2.916 ( -0.023 3.996 -2.349) 4.636 2.931 ( 2.922 -0.696 -1.098) 3.198 3.081 ( 3.059 1.300 -0.198) 3.329 3.188 ( -3.735 0.615 -0.951) 3.903 3.269 ( -3.070 -3.882 -2.436) 5.516 3.429 ( -2.181 -5.845 -0.004) 6.238 3.541 ( 1.333 1.493 -2.190) 2.967 3.786 ( -0.529 -6.234 -0.083) 6.257 3.979 ( 3.861 -5.939 -5.926) 9.235 4.096 ( 1.743 6.398 2.560) 7.109 4.177 ( -0.532 5.192 1.142) 5.343 4.248 ( -0.610 6.801 2.325) 7.213 4.471 ( -2.452 -4.391 3.482) 6.117 4.619 ( -3.889 -1.099 3.100) 5.094 4.807 ( -0.341 1.656 0.245) 1.708 4.864 ( 1.638 -1.780 -0.275) 2.434 5.006 ( 4.635 1.402 1.179) 4.984 5.018 ( 2.944 0.691 -1.656) 3.447 5.112 ( 2.494 4.286 -0.965) 5.052 5.261 ( 0.199 0.499 -1.311) 1.417 5.329 ( 1.102 -0.941 2.826) 3.176 5.427 ( 0.319 -0.396 0.334) 0.608 5.526 ( 0.857 -0.655 -1.663) 1.982 5.565 ( -3.256 -1.065 0.715) 3.500 5.678 ( 6.632 3.977 -4.090) 8.748 5.763 ( -1.101 -0.323 -3.146) 3.349 5.821 ( -2.591 1.551 -2.444) 3.885 5.892 ( -1.873 0.075 -0.960) 2.106 5.989 ( -1.187 -0.674 0.592) 1.488 6.189 ( 1.822 -0.279 0.332) 1.873 6.216 ( 1.641 -0.537 0.289) 1.751 6.248 ( 1.334 1.476 -0.170) 1.996 6.445 ( -3.340 -2.978 -0.249) 4.481 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.833 17.271 9.428) 19.762 0.993 ( 1.523 19.246 6.210) 20.280 1.696 ( 1.774 20.128 6.976) 21.376 1.735 ( -0.254 -4.918 2.044) 5.332 1.942 ( -0.277 -8.821 0.459) 8.837 2.017 ( 1.261 8.790 1.321) 8.977 2.088 ( 0.931 5.964 -2.250) 6.442 2.156 ( 0.728 -0.550 -4.547) 4.638 2.200 ( -2.846 0.865 -0.398) 3.002 2.298 ( -0.693 -5.436 -0.111) 5.481 2.409 ( -0.416 0.768 -0.423) 0.970 2.489 ( -0.164 4.717 4.214) 6.327 2.594 ( -0.141 0.352 3.076) 3.099 2.656 ( 0.046 -0.522 -4.565) 4.595 2.759 ( -0.876 -2.157 1.435) 2.735 2.874 ( -0.181 -3.690 -1.217) 3.889 3.038 ( -1.770 -1.755 0.063) 2.493 3.095 ( -0.938 -2.332 4.185) 4.882 3.172 ( 2.140 3.604 -3.671) 5.572 3.230 ( 0.895 2.738 1.357) 3.184 3.259 ( 1.658 -7.654 1.238) 7.928 3.521 ( -1.161 -2.395 -1.701) 3.159 3.645 ( -1.882 -5.717 -0.334) 6.028 3.808 ( 0.729 -13.986 0.453) 14.012 4.258 ( 0.479 6.055 4.146) 7.354 4.311 ( 1.897 6.496 -0.037) 6.767 4.362 ( -1.792 5.644 -0.842) 5.981 4.448 ( 1.366 3.760 1.932) 4.442 4.525 ( -3.216 -1.352 2.940) 4.563 4.711 ( 0.356 -7.277 4.804) 8.727 4.879 ( -0.331 0.016 2.079) 2.105 5.026 ( -1.574 0.496 -2.757) 3.213 5.079 ( 1.128 0.539 -1.452) 1.916 5.193 ( 0.218 -0.225 2.258) 2.280 5.298 ( -1.170 3.770 -2.894) 4.895 5.345 ( 0.581 -1.829 0.685) 2.038 5.423 ( -3.492 0.427 -0.387) 3.539 5.470 ( 0.364 0.974 -3.668) 3.813 5.551 ( 0.226 -0.633 -2.606) 2.691 5.744 ( 0.721 -1.590 -3.445) 3.862 5.788 ( -0.082 1.646 -2.823) 3.269 5.840 ( 5.445 -1.287 -6.915) 8.895 5.901 ( 0.669 1.256 0.241) 1.444 5.966 ( 0.652 -0.291 -1.276) 1.462 6.203 ( -0.342 -0.299 1.879) 1.933 6.222 ( 0.181 -0.797 2.989) 3.098 6.289 ( -0.352 1.638 0.044) 1.676 6.362 ( -1.675 -0.296 0.635) 1.816 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 3.359 16.759 6.546) 18.302 1.071 ( 6.929 15.362 9.627) 19.408 1.725 ( 0.731 3.130 -0.724) 3.295 1.788 ( 3.285 10.657 8.491) 14.016 1.902 ( -3.677 -4.157 1.001) 5.640 2.018 ( -1.094 -2.042 2.309) 3.271 2.092 ( -2.800 5.024 -2.747) 6.374 2.141 ( 0.101 -2.915 -4.784) 5.603 2.212 ( 4.598 7.735 -0.334) 9.005 2.292 ( 0.732 -1.401 0.505) 1.660 2.411 ( -1.005 -1.070 -0.911) 1.727 2.480 ( -0.514 2.895 2.498) 3.858 2.567 ( -2.264 -2.303 0.304) 3.244 2.642 ( -1.736 0.459 -0.387) 1.837 2.739 ( -0.090 -1.612 0.183) 1.625 2.848 ( -2.201 -3.138 -0.749) 3.906 2.975 ( -2.577 -4.330 1.000) 5.137 3.097 ( -0.518 -2.298 3.639) 4.335 3.156 ( -0.787 -0.695 -4.260) 4.387 3.253 ( -0.187 5.017 2.073) 5.432 3.382 ( 7.893 -2.587 1.430) 8.428 3.505 ( -0.701 -3.503 -2.597) 4.417 3.622 ( 0.414 -3.727 -0.884) 3.852 3.821 ( 0.290 -11.728 0.818) 11.760 4.272 ( 0.173 5.096 3.294) 6.071 4.315 ( -2.370 6.388 -0.188) 6.816 4.350 ( 1.072 4.487 0.964) 4.713 4.468 ( 1.295 3.547 1.263) 3.982 4.507 ( 0.358 1.060 2.275) 2.536 4.741 ( 1.607 -7.520 5.043) 9.196 4.873 ( -0.857 -1.189 2.001) 2.480 4.975 ( -2.613 1.020 -2.713) 3.902 5.064 ( -2.708 0.194 -1.719) 3.214 5.202 ( 0.418 0.534 0.126) 0.690 5.254 ( -1.698 3.682 -2.438) 4.731 5.300 ( -4.285 0.842 -0.972) 4.474 5.395 ( 0.153 -1.176 0.372) 1.243 5.469 ( 0.090 -0.979 -2.783) 2.951 5.528 ( -1.620 -0.202 -2.127) 2.682 5.737 ( -0.404 -2.182 -4.134) 4.692 5.824 ( 2.511 2.385 -0.945) 3.590 5.884 ( 1.147 -0.490 -3.561) 3.773 5.926 ( 1.530 0.998 0.742) 1.972 6.008 ( 3.127 -1.472 -2.295) 4.149 6.187 ( -1.160 -0.347 2.419) 2.705 6.220 ( -1.130 -0.932 3.083) 3.414 6.272 ( -1.155 1.524 -0.186) 1.921 6.342 ( -0.361 -0.099 -0.879) 0.956 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 5.970 11.342 4.380) 13.545 1.248 ( 8.631 12.148 7.986) 16.907 1.691 ( -4.885 8.351 -0.482) 9.687 1.806 ( -5.332 -3.684 2.298) 6.876 1.874 ( 3.616 2.513 4.377) 6.209 1.982 ( -5.206 3.650 -2.539) 6.846 2.046 ( 2.131 -5.274 3.857) 6.873 2.125 ( -2.066 -4.916 -1.966) 5.683 2.245 ( -1.235 0.628 -2.135) 2.545 2.347 ( -2.120 -0.500 -2.119) 3.039 2.394 ( 6.006 3.632 1.135) 7.110 2.473 ( -1.581 4.350 1.670) 4.920 2.558 ( -0.115 1.762 1.602) 2.384 2.606 ( 1.666 -1.165 -4.223) 4.687 2.760 ( 0.923 -0.635 2.336) 2.591 2.777 ( -3.989 -1.527 1.826) 4.645 2.977 ( 2.176 -5.547 -0.516) 5.981 3.095 ( 0.025 -3.110 0.814) 3.215 3.153 ( 1.537 -0.503 -3.985) 4.301 3.226 ( -2.707 5.588 2.651) 6.752 3.464 ( -2.593 -2.387 -2.598) 4.378 3.510 ( 4.059 -2.843 2.640) 5.615 3.660 ( 2.671 -0.998 0.165) 2.856 3.819 ( -0.402 -5.171 -0.425) 5.204 4.264 ( -1.831 5.249 -1.121) 5.671 4.277 ( -0.767 4.240 3.877) 5.796 4.377 ( 1.500 5.391 1.847) 5.893 4.505 ( 0.035 -0.697 3.723) 3.788 4.530 ( 3.145 4.177 -1.374) 5.406 4.785 ( 1.414 -6.598 5.477) 8.691 4.848 ( -1.793 -2.690 -0.032) 3.233 4.925 ( -2.178 0.061 -1.240) 2.507 4.980 ( -5.045 0.113 -0.457) 5.067 5.182 ( -0.927 3.596 -4.285) 5.670 5.225 ( -2.787 1.599 -1.444) 3.523 5.271 ( 2.254 -0.197 1.596) 2.769 5.389 ( -0.652 -0.424 -1.819) 1.978 5.459 ( -0.839 -1.808 -1.849) 2.719 5.499 ( -0.883 -0.417 -0.140) 0.987 5.719 ( -0.509 -2.685 -2.893) 3.979 5.854 ( 0.840 0.850 -1.687) 2.067 5.891 ( 0.064 0.221 -1.911) 1.924 5.963 ( 1.967 1.250 1.080) 2.568 6.043 ( 0.474 -0.752 0.932) 1.288 6.176 ( -1.231 -0.565 0.791) 1.568 6.194 ( -0.971 -0.225 1.327) 1.660 6.254 ( -0.661 0.723 0.322) 1.031 6.342 ( 0.759 -1.353 -2.592) 3.021 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 7.550 5.594 1.431) 9.505 1.404 ( 5.327 8.844 5.639) 11.764 1.570 ( -5.957 8.724 1.547) 10.677 1.704 ( -5.488 -2.484 1.563) 6.223 1.855 ( -5.484 3.679 -3.073) 7.284 1.942 ( -0.727 -2.629 1.878) 3.312 2.073 ( -0.891 -1.632 1.650) 2.486 2.117 ( 2.466 -7.165 4.747) 8.941 2.206 ( -0.445 0.779 -1.341) 1.614 2.329 ( 0.432 -3.612 -2.904) 4.655 2.440 ( -1.811 4.931 1.985) 5.616 2.448 ( 0.220 -0.346 -0.294) 0.505 2.567 ( 1.986 1.730 -2.603) 3.703 2.652 ( -1.615 0.751 0.056) 1.782 2.735 ( 2.306 0.503 -1.323) 2.706 2.821 ( 4.440 1.208 4.156) 6.201 3.017 ( 1.521 -5.756 -2.461) 6.442 3.099 ( 0.386 -4.005 -1.656) 4.351 3.165 ( -2.933 3.745 2.422) 5.337 3.225 ( 5.658 3.619 -0.052) 6.717 3.387 ( -5.183 1.752 -0.450) 5.489 3.563 ( 1.299 -4.701 3.024) 5.738 3.680 ( -1.415 0.599 0.538) 1.628 3.821 ( 1.162 0.975 -2.483) 2.910 4.245 ( -0.037 5.581 1.613) 5.810 4.266 ( -0.974 3.081 1.720) 3.661 4.407 ( 0.807 7.263 0.942) 7.368 4.496 ( -0.816 -1.118 4.198) 4.420 4.598 ( 3.379 0.710 -0.759) 3.536 4.774 ( -2.836 -4.344 -0.010) 5.188 4.843 ( 0.808 -3.332 2.640) 4.327 4.873 ( -3.039 0.506 1.132) 3.282 4.907 ( -1.974 -2.586 -0.381) 3.275 5.168 ( -0.446 3.457 -1.455) 3.778 5.197 ( 0.870 1.042 -3.349) 3.613 5.297 ( -0.511 -1.610 -0.766) 1.854 5.376 ( 0.100 -1.654 -2.275) 2.814 5.445 ( 0.060 -2.220 -0.101) 2.223 5.490 ( -0.258 1.208 0.799) 1.472 5.714 ( 0.438 -2.927 -0.956) 3.110 5.851 ( -0.541 -0.067 -2.600) 2.657 5.880 ( -0.550 -0.199 -1.240) 1.371 6.002 ( 1.613 0.834 1.372) 2.276 6.033 ( -1.619 1.091 0.845) 2.127 6.136 ( -1.974 1.001 0.306) 2.234 6.196 ( 0.055 -0.227 0.307) 0.386 6.243 ( -0.619 0.359 0.143) 0.730 6.362 ( 1.815 -3.314 -3.271) 4.998 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.372 5.750 0.758) 5.812 1.445 ( -0.729 9.417 1.178) 9.518 1.564 ( -0.674 5.039 -0.482) 5.106 1.573 ( -3.966 -2.743 6.372) 7.991 1.782 ( -0.602 0.864 -2.356) 2.580 1.866 ( -3.717 -4.008 -2.333) 5.943 2.105 ( 2.128 1.243 3.838) 4.561 2.160 ( 1.743 -8.401 4.725) 9.795 2.218 ( -0.458 3.630 -0.888) 3.765 2.340 ( 1.069 -3.578 -1.688) 4.098 2.433 ( 0.815 3.592 2.733) 4.587 2.464 ( 2.392 1.881 -1.939) 3.608 2.573 ( -1.493 1.011 -0.151) 1.809 2.636 ( 1.291 -0.116 -0.701) 1.474 2.742 ( -1.677 -1.724 0.165) 2.411 2.939 ( 5.309 2.708 -1.141) 6.068 3.028 ( 1.054 -4.540 -1.505) 4.897 3.105 ( 0.778 -1.952 -2.214) 3.052 3.109 ( -3.763 0.055 3.525) 5.156 3.257 ( -7.226 4.440 2.289) 8.784 3.374 ( 8.141 5.232 0.164) 9.679 3.581 ( -0.679 -5.622 2.936) 6.379 3.628 ( -2.374 1.866 -0.502) 3.061 3.835 ( 0.329 1.570 -3.037) 3.435 4.251 ( -0.487 3.870 3.492) 5.235 4.264 ( 0.849 5.270 0.951) 5.422 4.401 ( -1.393 5.340 1.442) 5.704 4.510 ( 1.340 1.180 3.697) 4.106 4.643 ( 1.223 -1.178 -0.012) 1.698 4.727 ( -1.483 -4.341 -2.123) 5.055 4.839 ( -0.519 0.620 2.132) 2.280 4.855 ( -0.035 -1.678 2.311) 2.856 4.880 ( -0.763 -3.465 -0.708) 3.618 5.159 ( -0.021 3.690 -0.754) 3.766 5.217 ( -0.011 2.467 -4.959) 5.538 5.279 ( 1.124 -6.022 -0.084) 6.127 5.386 ( 1.252 -2.026 -2.042) 3.137 5.445 ( -0.577 -1.959 0.341) 2.071 5.497 ( 0.679 2.462 1.694) 3.064 5.721 ( -0.127 -3.196 0.436) 3.228 5.833 ( -0.398 0.062 -3.449) 3.473 5.878 ( 0.781 -0.787 -0.835) 1.388 5.988 ( -2.673 1.724 -0.522) 3.223 6.019 ( -0.422 0.298 0.317) 0.606 6.124 ( 0.756 1.915 0.746) 2.190 6.190 ( -0.567 0.083 -0.328) 0.660 6.229 ( -0.745 0.671 -0.503) 1.122 6.392 ( 1.675 -4.337 -2.367) 5.217 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -9.622 6.613 0.343) 11.681 1.363 ( -10.448 7.814 4.805) 13.903 1.502 ( 4.627 6.614 -0.917) 8.123 1.605 ( 1.453 1.014 0.519) 1.847 1.811 ( -0.951 -3.274 -0.563) 3.455 1.897 ( 9.095 -4.199 -1.189) 10.088 2.128 ( -1.826 2.042 3.349) 4.326 2.185 ( -1.362 1.526 -0.303) 2.068 2.213 ( 3.656 -2.408 2.645) 5.115 2.350 ( -0.191 -0.962 -1.423) 1.729 2.444 ( -0.463 1.724 0.640) 1.896 2.510 ( -0.327 2.357 1.380) 2.751 2.585 ( 4.813 0.333 -0.135) 4.826 2.649 ( -0.653 -2.484 -3.480) 4.326 2.708 ( -0.606 0.474 2.095) 2.232 2.910 ( -8.379 5.778 3.360) 10.718 3.030 ( -2.435 -0.386 0.383) 2.495 3.107 ( 3.627 -2.867 1.474) 4.853 3.121 ( 2.070 0.304 -4.995) 5.416 3.167 ( -1.499 -1.285 2.066) 2.858 3.483 ( -1.252 -3.482 -1.235) 3.901 3.547 ( 1.718 4.921 2.091) 5.616 3.634 ( 1.461 -3.413 1.874) 4.158 3.820 ( -0.945 -0.859 -2.832) 3.107 4.255 ( -0.193 6.109 3.583) 7.085 4.270 ( -0.310 3.996 0.720) 4.072 4.377 ( -1.131 3.472 3.009) 4.731 4.533 ( -0.768 4.033 0.861) 4.195 4.657 ( -0.369 -3.188 0.704) 3.286 4.708 ( 0.781 -4.249 1.399) 4.541 4.833 ( 0.033 -1.520 0.262) 1.542 4.877 ( 0.915 -2.284 -0.873) 2.611 4.898 ( 3.764 2.651 1.688) 4.903 5.165 ( 0.449 3.896 -2.572) 4.690 5.197 ( 0.689 1.495 -2.468) 2.967 5.318 ( 0.618 -6.864 1.310) 7.015 5.410 ( 1.361 -1.195 -0.977) 2.058 5.441 ( 1.186 1.493 -1.935) 2.717 5.513 ( 0.840 0.472 1.605) 1.872 5.698 ( -2.124 -3.214 -0.627) 3.903 5.823 ( -0.352 0.649 -3.739) 3.811 5.897 ( 0.635 -0.295 -1.792) 1.924 5.952 ( -0.335 0.370 0.816) 0.956 5.993 ( -1.839 0.132 -0.716) 1.978 6.148 ( 0.950 1.245 0.499) 1.644 6.176 ( -0.527 0.105 -0.653) 0.845 6.223 ( 0.687 1.467 -0.756) 1.788 6.413 ( 0.756 -4.206 -1.006) 4.391 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -9.886 11.623 1.641) 15.347 1.168 ( -10.135 12.037 5.868) 16.794 1.597 ( 3.727 6.246 -0.044) 7.274 1.703 ( 8.683 1.156 -1.019) 8.818 1.791 ( -1.232 -4.043 0.892) 4.320 2.015 ( 0.505 0.830 0.965) 1.369 2.112 ( 1.691 0.333 -0.133) 1.728 2.169 ( -0.588 -0.780 -1.497) 1.788 2.287 ( 2.413 -2.570 -0.199) 3.531 2.322 ( -2.143 7.825 3.138) 8.699 2.432 ( -0.164 1.312 0.068) 1.324 2.484 ( -1.899 0.314 -1.040) 2.188 2.604 ( -2.108 -0.847 1.630) 2.796 2.689 ( 3.319 1.740 0.412) 3.770 2.711 ( -2.718 2.703 1.703) 4.195 2.776 ( -0.159 -1.210 1.896) 2.254 3.004 ( -0.663 -2.877 0.122) 2.955 3.099 ( -0.885 2.759 0.048) 2.898 3.186 ( 1.881 -2.163 -0.661) 2.942 3.187 ( 2.067 -3.480 -1.859) 4.454 3.395 ( -5.235 -4.877 -0.186) 7.157 3.589 ( 0.216 3.068 -0.146) 3.079 3.666 ( 1.035 -4.310 2.490) 5.084 3.802 ( -0.429 -6.174 -1.250) 6.313 4.244 ( -0.963 6.939 2.622) 7.481 4.273 ( 0.224 5.115 0.671) 5.164 4.378 ( 0.519 2.737 4.282) 5.109 4.479 ( -3.805 3.480 -1.067) 5.266 4.629 ( -1.772 -4.096 -0.152) 4.465 4.732 ( -0.975 -4.883 6.497) 8.185 4.864 ( 1.960 0.811 -0.321) 2.145 4.913 ( 4.133 -0.461 -1.810) 4.536 4.989 ( 4.597 2.983 1.160) 5.601 5.171 ( 1.134 3.781 -3.243) 5.109 5.243 ( 3.446 1.269 -0.523) 3.709 5.302 ( -1.210 -3.362 1.772) 3.989 5.430 ( 0.401 0.937 0.799) 1.295 5.475 ( 2.458 -0.144 -3.735) 4.473 5.549 ( 1.939 -0.867 1.388) 2.537 5.655 ( -0.657 -1.912 -4.523) 4.954 5.793 ( -1.779 0.275 -3.952) 4.343 5.889 ( -1.057 0.472 -3.097) 3.306 5.935 ( -2.110 -0.414 -0.750) 2.277 5.978 ( 0.142 -0.549 1.521) 1.623 6.160 ( 0.814 0.349 -0.041) 0.886 6.179 ( 0.921 -0.185 -0.027) 0.940 6.251 ( 1.860 2.038 -0.011) 2.760 6.416 ( -0.422 -3.382 0.146) 3.411 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -2.941 17.426 5.064) 18.384 1.018 ( -5.810 16.599 6.709) 18.823 1.652 ( 1.912 10.290 3.433) 11.014 1.761 ( -2.040 -1.669 1.771) 3.175 1.873 ( 7.453 -3.647 -0.811) 8.337 2.002 ( -0.529 5.636 1.896) 5.970 2.106 ( -1.911 5.416 -2.815) 6.397 2.157 ( 0.072 -3.128 -3.657) 4.813 2.256 ( -2.959 4.130 1.425) 5.277 2.318 ( -1.160 -4.710 1.446) 5.062 2.436 ( -1.275 3.003 -1.536) 3.606 2.463 ( 1.213 4.287 4.028) 6.006 2.586 ( -0.167 0.504 2.342) 2.402 2.664 ( -0.585 0.031 -2.422) 2.492 2.740 ( 2.105 -1.006 2.242) 3.236 2.843 ( 3.469 -4.369 -0.262) 5.585 3.013 ( 1.833 0.626 -0.315) 1.963 3.098 ( 0.504 -0.517 3.234) 3.313 3.178 ( -2.137 -3.355 -2.747) 4.834 3.212 ( 1.019 1.082 -1.898) 2.411 3.302 ( -4.115 -5.565 0.886) 6.977 3.561 ( -2.308 0.126 -0.784) 2.441 3.674 ( -0.827 -5.388 1.610) 5.684 3.798 ( 0.216 -11.836 -0.319) 11.842 4.242 ( 0.166 6.807 3.531) 7.671 4.282 ( 0.916 6.199 -0.272) 6.272 4.402 ( -0.801 7.728 1.516) 7.916 4.417 ( -0.466 -0.378 1.447) 1.567 4.587 ( -2.890 -2.362 1.124) 3.898 4.712 ( -1.463 -6.458 5.356) 8.517 4.879 ( 0.054 0.594 0.935) 1.109 5.006 ( 4.248 -0.134 -1.825) 4.626 5.056 ( 1.730 1.500 0.087) 2.292 5.182 ( 0.354 1.535 0.597) 1.685 5.293 ( 1.724 0.901 -1.029) 2.200 5.318 ( 1.950 1.124 -0.372) 2.282 5.438 ( 0.734 1.677 0.642) 1.940 5.504 ( -0.435 -1.045 -3.593) 3.767 5.542 ( -0.702 -0.949 -0.360) 1.234 5.716 ( 7.013 -0.606 -6.613) 9.658 5.752 ( -1.116 -0.132 -3.792) 3.955 5.837 ( -2.993 -0.460 -4.300) 5.259 5.905 ( -0.811 1.344 -0.484) 1.643 5.973 ( -0.721 -0.790 0.423) 1.150 6.186 ( 1.471 -0.007 0.974) 1.764 6.204 ( 1.186 -0.562 1.372) 1.899 6.282 ( 1.053 1.856 0.235) 2.147 6.396 ( -1.685 -1.983 0.831) 2.732 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 1.534 15.579 6.297) 16.873 1.359 ( 1.186 17.208 2.350) 17.409 1.571 ( 1.130 -11.020 5.050) 12.175 1.689 ( 0.862 -14.518 0.851) 14.569 1.942 ( 1.502 7.485 -2.694) 8.095 2.062 ( -1.047 -3.965 -3.319) 5.276 2.110 ( 0.838 0.362 -2.863) 3.005 2.138 ( 0.198 -1.967 -3.446) 3.973 2.268 ( 0.179 4.452 0.304) 4.466 2.365 ( -1.211 -1.692 0.279) 2.099 2.519 ( 0.469 8.807 -3.221) 9.389 2.584 ( 0.300 2.833 -3.532) 4.538 2.641 ( -0.167 0.353 0.725) 0.824 2.672 ( -1.530 3.776 0.588) 4.116 2.731 ( -3.620 7.727 3.510) 9.227 2.846 ( 0.367 2.186 2.299) 3.193 2.947 ( -2.960 -4.753 2.139) 5.994 3.063 ( 0.430 -8.821 2.490) 9.176 3.107 ( -0.563 1.604 5.583) 5.836 3.252 ( 3.690 -1.223 -0.479) 3.916 3.272 ( 3.973 0.655 -1.556) 4.317 3.350 ( -2.875 -11.969 2.341) 12.530 3.569 ( -1.346 -0.065 2.253) 2.625 3.614 ( -0.918 -4.640 2.177) 5.207 4.370 ( 1.155 5.324 1.264) 5.592 4.425 ( -0.314 1.989 -2.209) 2.989 4.456 ( -0.015 5.447 3.292) 6.365 4.486 ( -0.736 -0.547 1.011) 1.365 4.512 ( -0.447 -0.631 0.994) 1.260 4.577 ( 0.366 -5.673 6.424) 8.578 4.921 ( -0.683 4.765 0.687) 4.862 5.014 ( -0.643 -2.578 -2.290) 3.508 5.088 ( 0.210 0.621 -0.222) 0.692 5.130 ( -0.510 -4.221 2.176) 4.776 5.340 ( -0.180 0.919 0.538) 1.080 5.345 ( -1.163 0.665 -0.413) 1.402 5.439 ( -2.315 1.454 -2.418) 3.650 5.474 ( -0.865 -1.430 -2.287) 2.833 5.580 ( 0.431 4.037 -4.849) 6.324 5.675 ( 0.144 -4.796 -4.479) 6.564 5.814 ( 3.100 0.971 -4.725) 5.734 5.827 ( 3.976 -0.439 -6.298) 7.461 5.931 ( 0.473 1.495 -0.288) 1.594 5.954 ( 0.619 -0.860 -0.893) 1.385 6.202 ( -0.395 0.175 3.057) 3.088 6.209 ( -0.187 -0.511 3.400) 3.443 6.321 ( -0.536 1.572 0.255) 1.681 6.348 ( -0.884 -1.077 0.370) 1.442 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 4.974 14.338 7.160) 16.780 1.384 ( 0.643 16.172 3.103) 16.480 1.624 ( 3.285 -9.838 5.292) 11.644 1.692 ( -1.027 -13.847 1.781) 13.999 1.948 ( 0.041 5.373 -1.011) 5.467 2.039 ( -0.625 -4.233 -2.397) 4.905 2.082 ( -2.752 3.960 -2.770) 5.562 2.132 ( -1.355 -0.994 -6.576) 6.788 2.271 ( 0.011 3.138 -0.667) 3.208 2.361 ( 0.854 -2.464 0.596) 2.675 2.454 ( -6.165 3.689 -2.148) 7.499 2.564 ( -1.932 -1.841 -2.860) 3.912 2.609 ( -2.414 -0.111 -0.215) 2.426 2.666 ( 0.372 3.103 0.182) 3.131 2.729 ( 2.859 12.394 4.143) 13.378 2.823 ( -2.243 1.216 0.311) 2.571 2.892 ( -2.083 -2.319 0.153) 3.121 3.052 ( -1.561 -8.679 -0.978) 8.872 3.119 ( 1.554 4.571 5.232) 7.120 3.322 ( 1.208 -10.007 3.300) 10.606 3.345 ( 2.213 1.698 2.654) 3.850 3.385 ( 5.148 -2.281 0.694) 5.673 3.578 ( 2.528 -0.327 1.100) 2.776 3.622 ( 1.910 -5.557 1.869) 6.166 4.379 ( -1.150 3.955 -0.707) 4.179 4.395 ( -2.449 1.994 0.660) 3.226 4.430 ( -0.184 3.690 2.303) 4.353 4.508 ( 1.937 1.462 0.944) 2.604 4.551 ( 2.757 -0.540 1.822) 3.349 4.605 ( 1.055 -4.469 5.640) 7.273 4.892 ( -2.505 3.682 0.197) 4.458 4.967 ( -3.273 -2.258 -2.290) 4.588 5.072 ( -1.842 1.335 -0.707) 2.382 5.137 ( 0.773 -4.932 1.221) 5.139 5.304 ( -2.630 1.160 -1.955) 3.477 5.314 ( -2.670 0.133 -0.675) 2.757 5.405 ( -0.176 2.042 -0.620) 2.141 5.449 ( -0.758 -1.845 -1.513) 2.503 5.566 ( -0.916 4.204 -5.066) 6.647 5.663 ( -0.499 -4.879 -4.881) 6.920 5.860 ( 1.949 1.237 -2.933) 3.732 5.876 ( 2.043 -0.436 -3.753) 4.295 5.954 ( 1.757 1.556 -0.001) 2.347 5.981 ( 2.077 -1.235 -1.301) 2.745 6.189 ( -1.301 0.440 3.404) 3.670 6.202 ( -1.104 -0.833 3.514) 3.776 6.303 ( -1.207 1.567 -0.297) 2.000 6.330 ( -0.904 -1.069 -0.537) 1.500 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.315 12.878 2.591) 13.140 1.496 ( 5.828 11.958 5.985) 14.587 1.647 ( -3.287 -10.670 2.080) 11.357 1.719 ( 4.961 -7.937 5.042) 10.632 1.917 ( -5.289 4.848 2.776) 7.693 2.021 ( -2.912 -2.110 -1.196) 3.789 2.029 ( 0.333 0.839 -4.460) 4.550 2.066 ( -2.700 1.095 -6.823) 7.419 2.252 ( -1.551 1.348 -1.876) 2.782 2.309 ( -4.872 -2.384 -0.856) 5.491 2.416 ( 2.339 2.214 -0.625) 3.281 2.530 ( -0.043 -5.259 -2.137) 5.676 2.571 ( -1.707 3.939 -0.517) 4.324 2.662 ( -0.371 -3.616 -0.819) 3.726 2.761 ( -2.165 5.159 2.507) 6.131 2.825 ( 2.599 3.618 2.722) 5.220 2.874 ( 0.579 0.738 -1.744) 1.980 3.026 ( -0.701 -6.049 -1.800) 6.350 3.188 ( 4.877 6.327 2.778) 8.458 3.334 ( -1.392 3.242 2.705) 4.446 3.371 ( 1.107 -6.099 1.863) 6.473 3.440 ( -0.006 -4.410 4.431) 6.251 3.662 ( 4.862 0.973 1.240) 5.111 3.707 ( 6.020 -4.266 0.944) 7.439 4.336 ( -2.335 2.206 -1.371) 3.492 4.348 ( -2.277 1.400 0.882) 2.815 4.465 ( 2.274 5.199 4.405) 7.184 4.537 ( 0.467 1.848 0.730) 2.041 4.606 ( 2.452 0.862 0.377) 2.626 4.644 ( 2.153 -5.580 4.858) 7.706 4.824 ( -4.219 1.559 -0.968) 4.601 4.890 ( -3.929 -3.621 -1.818) 5.644 5.021 ( -3.258 4.730 -0.190) 5.747 5.141 ( -0.898 -6.275 -0.577) 6.365 5.256 ( -1.511 1.534 -0.838) 2.310 5.278 ( -0.122 -0.272 0.518) 0.598 5.401 ( -0.984 1.761 -1.721) 2.652 5.434 ( -0.773 -1.210 -2.078) 2.526 5.538 ( -0.480 4.320 -2.951) 5.254 5.640 ( -0.671 -5.097 -3.220) 6.066 5.875 ( 0.205 1.171 -2.553) 2.816 5.892 ( 0.068 -0.369 -2.528) 2.555 5.989 ( 1.687 1.362 0.853) 2.330 6.018 ( 1.641 -1.527 0.553) 2.308 6.175 ( -0.680 0.434 1.557) 1.753 6.187 ( -0.828 -0.573 1.801) 2.064 6.278 ( -1.179 1.624 -0.507) 2.070 6.312 ( -0.717 -1.701 -1.333) 2.277 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 2.598 7.406 0.669) 7.877 1.553 ( -0.905 -1.327 0.507) 1.684 1.634 ( 1.034 5.286 5.951) 8.026 1.776 ( -6.795 8.669 0.391) 11.022 1.814 ( 0.549 -8.512 3.255) 9.130 1.926 ( -6.087 -4.975 -3.780) 8.723 1.974 ( -1.389 2.543 -0.903) 3.035 2.061 ( -0.096 -3.785 -0.164) 3.790 2.242 ( 2.023 2.378 -2.072) 3.748 2.276 ( 1.162 -1.189 -1.348) 2.141 2.464 ( 2.571 2.508 -2.784) 4.544 2.533 ( -0.823 0.283 -3.199) 3.316 2.552 ( 0.958 1.582 0.743) 1.993 2.657 ( -0.054 -5.140 -1.061) 5.249 2.722 ( -2.014 4.095 3.675) 5.859 2.849 ( -0.128 -7.432 3.253) 8.114 2.916 ( 3.613 5.203 -2.148) 6.689 3.021 ( 0.821 -4.562 -2.353) 5.198 3.280 ( -2.786 7.219 3.934) 8.680 3.313 ( 5.172 4.780 2.063) 7.339 3.379 ( -1.829 -2.443 1.282) 3.310 3.442 ( 0.612 -7.337 4.588) 8.675 3.742 ( 2.466 4.470 0.655) 5.147 3.814 ( 4.060 -2.145 -1.190) 4.744 4.301 ( -1.214 1.118 -0.401) 1.698 4.312 ( -1.012 0.522 2.145) 2.428 4.513 ( -0.450 3.306 4.328) 5.464 4.523 ( -0.087 3.824 1.243) 4.022 4.649 ( 2.101 1.101 -0.614) 2.450 4.688 ( 0.261 -3.905 2.023) 4.406 4.754 ( -1.546 -0.979 0.185) 1.839 4.825 ( -2.328 -4.999 -0.435) 5.531 4.957 ( -2.779 6.685 0.165) 7.242 5.109 ( -1.542 -7.616 -1.091) 7.847 5.246 ( 0.146 3.153 -0.292) 3.170 5.304 ( 2.044 -1.763 0.895) 2.843 5.352 ( -3.117 2.489 -3.459) 5.280 5.408 ( -1.178 -1.980 -1.815) 2.933 5.546 ( 1.192 3.967 -0.326) 4.155 5.636 ( 0.571 -4.723 -0.607) 4.796 5.860 ( -0.923 0.768 -2.817) 3.062 5.874 ( -1.003 -0.511 -2.122) 2.402 6.021 ( 1.132 1.050 1.002) 1.841 6.038 ( -0.017 -0.507 0.716) 0.878 6.161 ( -0.660 1.403 -0.024) 1.551 6.184 ( 0.208 -0.891 0.098) 0.920 6.259 ( -0.669 1.414 -0.500) 1.642 6.301 ( -0.019 -2.747 -1.715) 3.238 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.076 4.583 -0.421) 4.727 1.567 ( 2.310 -2.644 -0.232) 3.519 1.618 ( -3.087 5.082 4.201) 7.281 1.641 ( -5.084 6.788 2.089) 8.734 1.772 ( -3.961 -3.057 -0.880) 5.080 1.798 ( -4.823 -1.780 -6.408) 8.215 2.026 ( 4.035 -2.342 2.830) 5.457 2.082 ( 3.088 -4.288 0.550) 5.313 2.292 ( 2.074 3.036 -1.427) 3.944 2.313 ( 2.420 0.546 0.924) 2.647 2.490 ( 0.500 2.393 -2.820) 3.732 2.523 ( 1.087 1.189 -2.221) 2.744 2.573 ( 0.592 1.113 -0.607) 1.399 2.637 ( -1.776 -1.732 -1.113) 2.719 2.711 ( 0.071 1.918 3.210) 3.740 2.846 ( -0.781 -9.709 3.255) 10.269 2.993 ( 4.363 2.930 -1.290) 5.412 3.053 ( 2.620 -2.879 -1.288) 4.100 3.206 ( -4.420 6.413 3.224) 8.430 3.305 ( -5.377 -1.541 2.884) 6.293 3.424 ( 4.051 1.367 2.428) 4.917 3.480 ( 2.154 -4.113 4.712) 6.615 3.738 ( -2.634 7.327 -2.008) 8.041 3.839 ( -1.147 -2.138 -3.082) 3.922 4.288 ( 0.394 2.151 2.137) 3.057 4.338 ( 2.402 -0.929 3.405) 4.269 4.466 ( -2.916 3.971 1.373) 5.114 4.546 ( 0.265 -0.988 3.034) 3.202 4.665 ( 0.117 1.032 -0.921) 1.388 4.686 ( 0.166 4.586 -0.611) 4.630 4.755 ( 0.349 -5.339 1.672) 5.605 4.793 ( -1.105 -5.160 -0.199) 5.281 4.939 ( 1.150 6.996 1.382) 7.224 5.102 ( 1.126 -8.612 -0.017) 8.685 5.243 ( -0.258 2.916 -1.252) 3.184 5.281 ( -2.898 0.873 -3.509) 4.634 5.351 ( 2.452 0.516 -0.282) 2.522 5.403 ( 1.088 -2.648 -0.208) 2.871 5.563 ( 0.118 3.829 0.640) 3.884 5.644 ( -0.169 -4.299 0.519) 4.333 5.843 ( 0.092 0.864 -3.042) 3.164 5.862 ( 0.443 -0.910 -2.018) 2.258 6.014 ( -2.243 0.916 -0.763) 2.540 6.023 ( -1.079 -0.031 -0.482) 1.183 6.162 ( 0.623 1.770 0.250) 1.893 6.186 ( -0.229 -0.614 -0.120) 0.666 6.250 ( 0.001 1.824 -0.749) 1.972 6.308 ( 1.055 -3.899 -1.370) 4.266 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -5.548 7.789 0.266) 9.567 1.520 ( -5.257 5.890 1.566) 8.049 1.570 ( -1.022 -0.814 1.740) 2.176 1.676 ( 1.329 5.784 -1.848) 6.216 1.695 ( -0.974 -6.797 0.832) 6.916 1.800 ( 6.722 -5.301 -4.380) 9.617 2.099 ( 3.385 0.459 0.510) 3.454 2.162 ( 4.189 -4.029 -0.919) 5.884 2.286 ( -2.355 6.152 -0.607) 6.615 2.369 ( 2.461 -0.322 1.559) 2.931 2.497 ( 0.953 2.453 -2.138) 3.391 2.532 ( -1.246 -1.033 0.916) 1.860 2.579 ( 0.540 1.535 0.341) 1.662 2.613 ( 1.049 -0.890 -3.467) 3.730 2.722 ( 0.267 1.830 2.200) 2.874 2.838 ( -0.412 -9.745 2.774) 10.140 3.038 ( -1.945 4.432 3.464) 5.952 3.101 ( 2.009 -2.226 -0.462) 3.034 3.151 ( -0.491 3.423 -0.988) 3.596 3.205 ( -4.339 0.229 1.177) 4.502 3.449 ( -2.277 2.421 4.236) 5.385 3.538 ( 1.907 -4.500 6.223) 7.913 3.669 ( -2.814 5.013 -2.140) 6.134 3.770 ( -4.807 -4.507 -2.470) 7.037 4.321 ( 1.890 3.689 2.991) 5.112 4.384 ( 1.276 0.922 2.536) 2.985 4.414 ( -2.603 4.022 1.596) 5.049 4.541 ( -1.154 -6.097 0.925) 6.274 4.650 ( -3.143 4.500 -0.926) 5.566 4.681 ( 0.116 1.137 2.383) 2.643 4.789 ( 3.468 -2.210 -0.353) 4.127 4.807 ( 3.438 -3.823 -0.834) 5.209 4.992 ( 3.265 6.362 2.151) 7.467 5.136 ( 1.697 -7.335 0.365) 7.537 5.235 ( -0.314 1.745 -2.707) 3.236 5.249 ( 0.833 0.352 0.474) 1.021 5.403 ( 3.136 1.199 -1.743) 3.783 5.441 ( 2.820 -1.637 -1.606) 3.635 5.550 ( -1.250 3.156 0.541) 3.438 5.624 ( -1.729 -4.052 -0.591) 4.445 5.846 ( 0.042 1.497 -3.196) 3.529 5.877 ( 0.872 -1.496 -2.235) 2.827 5.968 ( -1.727 1.090 -0.661) 2.147 5.988 ( -1.876 -0.711 -1.050) 2.265 6.168 ( -0.182 0.698 -0.022) 0.721 6.176 ( -0.501 -0.159 -0.403) 0.662 6.264 ( 1.525 2.785 -0.268) 3.187 6.331 ( 1.366 -3.915 -0.404) 4.166 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -3.683 13.083 0.829) 13.617 1.410 ( -5.460 11.460 2.704) 12.979 1.579 ( 0.144 -9.564 0.501) 9.578 1.626 ( -1.019 -7.716 1.921) 8.016 1.788 ( 5.971 6.525 -2.389) 9.162 1.940 ( 6.992 -7.664 -3.688) 11.011 2.161 ( 2.251 2.136 -1.298) 3.364 2.208 ( -1.408 1.182 -1.964) 2.690 2.229 ( -0.558 3.843 0.041) 3.884 2.388 ( -0.590 -6.551 0.335) 6.586 2.509 ( 0.559 5.500 -3.009) 6.294 2.535 ( 2.169 6.667 3.311) 7.754 2.574 ( 0.387 -1.359 -4.111) 4.347 2.668 ( 2.916 -3.905 0.749) 4.931 2.734 ( 1.086 3.021 2.623) 4.146 2.853 ( 1.480 -9.069 3.765) 9.930 2.945 ( -6.642 11.767 5.184) 14.473 3.110 ( -1.452 -3.317 2.460) 4.378 3.147 ( 0.587 -0.470 -3.201) 3.288 3.172 ( -0.464 -1.226 -2.814) 3.104 3.374 ( -5.162 4.923 4.092) 8.223 3.547 ( -2.934 -9.334 4.478) 10.760 3.630 ( -1.712 1.580 0.862) 2.484 3.677 ( -3.556 -4.167 0.815) 5.538 4.349 ( 0.080 4.030 -0.082) 4.031 4.388 ( 0.240 5.194 5.066) 7.259 4.402 ( 0.447 0.860 -0.068) 0.972 4.521 ( -0.688 -6.340 1.798) 6.626 4.584 ( -3.290 4.847 -0.502) 5.880 4.654 ( -2.836 -2.964 2.413) 4.759 4.873 ( 3.495 0.770 0.040) 3.579 4.898 ( 5.717 -1.287 -1.377) 6.020 5.053 ( 2.217 4.033 2.181) 5.093 5.153 ( -0.221 -5.452 1.064) 5.559 5.262 ( 3.261 2.229 -1.001) 4.075 5.289 ( 3.054 -0.060 0.988) 3.210 5.459 ( 1.959 1.992 -0.792) 2.904 5.488 ( 1.856 0.037 -3.443) 3.912 5.538 ( 0.386 1.086 -0.525) 1.267 5.598 ( 1.006 -3.686 -4.976) 6.273 5.814 ( -2.266 1.799 -4.032) 4.962 5.859 ( -2.110 -2.548 -3.818) 5.052 5.948 ( -0.611 1.189 -0.311) 1.373 5.968 ( -0.408 -0.730 0.233) 0.868 6.168 ( 0.543 0.433 0.304) 0.759 6.175 ( 0.572 -0.251 0.307) 0.696 6.297 ( 1.588 2.606 0.337) 3.070 6.353 ( 0.749 -3.018 0.386) 3.134 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -1.464 15.520 3.772) 16.039 1.347 ( -1.162 15.934 2.236) 16.132 1.562 ( -0.983 -10.788 3.694) 11.445 1.657 ( 2.240 -13.721 0.354) 13.907 1.888 ( 4.506 8.126 -2.728) 9.684 2.041 ( 4.207 -6.797 -3.769) 8.838 2.124 ( -2.714 2.215 -3.562) 4.996 2.172 ( -2.413 -1.048 -1.549) 3.053 2.251 ( 1.605 4.784 0.743) 5.101 2.382 ( -0.294 -5.294 0.493) 5.325 2.508 ( 0.566 9.202 -4.036) 10.064 2.576 ( 1.126 3.735 -2.873) 4.845 2.610 ( 3.054 1.627 -0.032) 3.461 2.690 ( -0.298 -2.843 0.949) 3.012 2.792 ( 2.933 3.222 3.777) 5.767 2.824 ( -5.486 11.217 6.519) 14.087 2.925 ( 3.775 -5.585 3.877) 7.777 3.078 ( -2.058 -3.332 2.195) 4.490 3.121 ( -2.653 -1.823 0.508) 3.259 3.185 ( 3.114 -4.732 -3.844) 6.845 3.291 ( -3.819 4.108 1.097) 5.715 3.447 ( -6.659 -12.022 2.458) 13.961 3.599 ( -1.972 0.240 3.029) 3.622 3.636 ( -1.676 -3.517 2.341) 4.545 4.349 ( 0.539 4.736 0.180) 4.770 4.413 ( 1.047 1.219 -1.676) 2.322 4.423 ( 1.682 4.142 5.133) 6.808 4.517 ( -1.707 1.880 1.098) 2.766 4.531 ( -0.976 -1.700 1.575) 2.514 4.596 ( -3.342 -4.679 3.308) 6.633 4.917 ( 1.106 3.657 0.168) 3.824 4.988 ( 3.508 -2.302 -1.661) 4.512 5.082 ( 0.488 1.661 1.360) 2.202 5.140 ( -1.025 -4.066 2.250) 4.759 5.324 ( 2.291 2.173 -0.259) 3.168 5.346 ( 1.503 0.251 0.910) 1.774 5.466 ( 0.166 0.873 -0.466) 1.003 5.487 ( -1.057 -1.153 -2.337) 2.812 5.564 ( 2.389 3.880 -4.793) 6.613 5.656 ( 3.868 -4.535 -6.093) 8.523 5.773 ( 0.239 1.639 -5.070) 5.333 5.809 ( -1.167 -1.898 -5.231) 5.686 5.935 ( -0.574 1.432 -0.533) 1.632 5.957 ( -0.558 -0.873 -0.142) 1.046 6.189 ( 1.046 0.265 1.766) 2.070 6.195 ( 0.953 -0.350 1.994) 2.237 6.320 ( 0.598 2.008 0.529) 2.161 6.359 ( -0.251 -1.909 0.723) 2.056 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 4.259 0.000 18.636) 19.116 0.866 ( -0.469 0.000 19.590) 19.595 1.534 ( -0.820 0.000 29.500) 29.512 1.690 ( -4.161 0.000 -7.147) 8.269 1.817 ( -0.018 0.000 -6.015) 6.015 1.960 ( 3.076 0.000 5.197) 6.039 2.123 ( -3.247 0.000 2.976) 4.405 2.199 ( 3.765 0.000 1.015) 3.899 2.312 ( 0.890 0.000 -1.742) 1.956 2.385 ( 0.113 0.000 -4.516) 4.517 2.515 ( 0.926 0.000 -3.254) 3.383 2.544 ( 0.963 0.000 0.682) 1.180 2.545 ( -1.889 0.000 0.398) 1.930 2.723 ( 0.250 0.000 0.198) 0.319 2.731 ( 3.931 0.000 -0.514) 3.964 2.816 ( -3.019 0.000 -1.629) 3.431 3.073 ( 1.502 0.000 3.195) 3.531 3.076 ( -1.263 0.000 2.424) 2.734 3.185 ( 2.927 0.000 1.394) 3.242 3.203 ( -1.695 0.000 0.357) 1.732 3.444 ( -2.461 0.000 -3.312) 4.126 3.515 ( 4.421 0.000 -2.944) 5.311 3.717 ( -4.282 0.000 -6.528) 7.807 3.877 ( -0.174 0.000 -8.939) 8.941 4.130 ( 0.900 0.000 5.527) 5.600 4.161 ( -1.703 0.000 0.778) 1.873 4.250 ( 4.772 0.000 -0.888) 4.854 4.553 ( 0.270 0.000 -5.237) 5.244 4.558 ( -5.140 0.000 7.962) 9.477 4.768 ( 0.292 0.000 6.174) 6.181 4.896 ( 1.408 0.000 -3.596) 3.862 4.994 ( 4.342 0.000 -1.935) 4.754 5.015 ( -1.639 0.000 2.371) 2.882 5.112 ( -2.157 0.000 2.256) 3.121 5.274 ( -1.063 0.000 0.637) 1.240 5.316 ( -3.604 0.000 -5.181) 6.311 5.406 ( -2.507 0.000 0.342) 2.530 5.536 ( -1.748 0.000 1.123) 2.078 5.625 ( 1.823 0.000 3.767) 4.185 5.664 ( 5.081 0.000 -2.095) 5.496 5.736 ( 0.500 0.000 0.579) 0.765 5.815 ( 4.312 0.000 -2.862) 5.175 5.883 ( 1.800 0.000 -0.794) 1.967 5.928 ( -2.978 0.000 -1.964) 3.567 6.220 ( 1.208 0.000 -0.257) 1.235 6.228 ( -0.546 0.000 -0.491) 0.734 6.295 ( 1.365 0.000 2.669) 2.998 6.383 ( -3.526 0.000 0.379) 3.547 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 3.793 0.000 15.475) 15.933 0.984 ( 7.983 0.000 16.292) 18.143 1.551 ( -7.516 0.000 -6.490) 9.930 1.688 ( 9.451 0.000 19.902) 22.032 1.836 ( 3.103 0.000 -5.748) 6.532 1.998 ( -0.222 0.000 3.055) 3.063 2.076 ( -2.244 0.000 8.582) 8.871 2.267 ( 2.474 0.000 4.058) 4.753 2.321 ( 0.441 0.000 -1.372) 1.441 2.366 ( -0.783 0.000 -4.018) 4.094 2.505 ( -2.463 0.000 1.495) 2.881 2.512 ( -5.039 0.000 1.925) 5.394 2.530 ( 2.360 0.000 -8.185) 8.518 2.733 ( -3.497 0.000 2.252) 4.159 2.759 ( 1.508 0.000 -3.638) 3.938 2.829 ( 5.106 0.000 0.879) 5.181 3.049 ( -3.447 0.000 1.944) 3.957 3.075 ( 0.239 0.000 1.304) 1.325 3.188 ( -1.861 0.000 3.193) 3.696 3.204 ( -1.121 0.000 1.511) 1.882 3.422 ( 2.546 0.000 -7.306) 7.736 3.552 ( -0.854 0.000 -3.044) 3.161 3.641 ( -1.956 0.000 -7.331) 7.588 3.839 ( -1.507 0.000 -5.824) 6.016 4.131 ( -1.295 0.000 0.375) 1.348 4.154 ( 0.502 0.000 5.172) 5.197 4.353 ( 5.595 0.000 -3.442) 6.569 4.476 ( -4.651 0.000 9.828) 10.873 4.563 ( 1.769 0.000 -5.506) 5.783 4.791 ( 0.518 0.000 8.561) 8.576 4.907 ( 0.575 0.000 -3.730) 3.774 4.994 ( -0.717 0.000 0.400) 0.822 5.046 ( -4.256 0.000 4.393) 6.116 5.079 ( 4.053 0.000 -1.762) 4.420 5.213 ( -5.070 0.000 -3.350) 6.076 5.259 ( -0.289 0.000 0.653) 0.714 5.348 ( -3.537 0.000 0.505) 3.573 5.516 ( -0.846 0.000 -1.012) 1.319 5.645 ( -0.218 0.000 3.547) 3.553 5.743 ( 0.890 0.000 -0.971) 1.317 5.757 ( 3.399 0.000 -1.367) 3.664 5.881 ( -1.121 0.000 -1.709) 2.044 5.893 ( 3.323 0.000 -0.245) 3.332 5.958 ( 5.727 0.000 -4.600) 7.346 6.204 ( -1.475 0.000 -1.008) 1.787 6.232 ( 0.012 0.000 0.117) 0.117 6.311 ( -0.311 0.000 2.920) 2.936 6.320 ( -2.927 0.000 0.410) 2.956 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 8.333 0.000 8.476) 11.886 1.186 ( 8.534 0.000 10.172) 13.278 1.415 ( -4.410 0.000 -2.876) 5.265 1.826 ( 0.769 0.000 -0.761) 1.082 1.912 ( 4.068 0.000 -0.757) 4.137 1.967 ( -3.659 0.000 3.271) 4.907 2.137 ( 7.198 0.000 18.253) 19.621 2.262 ( -5.484 0.000 1.244) 5.624 2.327 ( 0.567 0.000 -1.032) 1.178 2.346 ( -0.360 0.000 -3.691) 3.708 2.435 ( -0.010 0.000 6.539) 6.539 2.454 ( -2.833 0.000 3.964) 4.872 2.595 ( 6.070 0.000 -10.562) 12.182 2.651 ( -5.285 0.000 2.490) 5.842 2.774 ( -1.006 0.000 -0.660) 1.204 2.914 ( 3.066 0.000 2.579) 4.006 2.982 ( -3.163 0.000 2.676) 4.143 3.065 ( -1.792 0.000 -0.088) 1.795 3.138 ( -2.549 0.000 1.036) 2.751 3.167 ( -2.373 0.000 -0.145) 2.377 3.462 ( -6.873 0.000 -4.223) 8.067 3.513 ( 7.391 0.000 -9.237) 11.830 3.608 ( -0.297 0.000 -6.726) 6.733 3.808 ( -1.264 0.000 -1.781) 2.184 4.119 ( 0.088 0.000 1.208) 1.211 4.164 ( -0.673 0.000 4.867) 4.913 4.404 ( -1.244 0.000 5.698) 5.833 4.466 ( 3.363 0.000 -0.161) 3.366 4.597 ( 2.869 0.000 -6.159) 6.795 4.816 ( 0.082 0.000 9.909) 9.909 4.905 ( -0.052 0.000 -3.577) 3.577 4.973 ( -3.098 0.000 1.991) 3.683 4.989 ( -1.528 0.000 2.987) 3.355 5.097 ( -2.011 0.000 -5.457) 5.816 5.142 ( -1.502 0.000 -0.843) 1.722 5.278 ( 2.069 0.000 0.752) 2.202 5.289 ( -1.638 0.000 -0.988) 1.913 5.502 ( -0.175 0.000 -0.533) 0.561 5.634 ( -1.539 0.000 2.912) 3.294 5.727 ( -1.110 0.000 -3.046) 3.242 5.821 ( 2.908 0.000 -1.726) 3.382 5.877 ( 0.458 0.000 -0.441) 0.636 5.954 ( 2.968 0.000 1.204) 3.203 6.023 ( 0.554 0.000 -2.196) 2.265 6.182 ( -0.700 0.000 -1.091) 1.296 6.222 ( -1.031 0.000 0.426) 1.116 6.282 ( 0.193 0.000 -3.176) 3.182 6.297 ( -1.533 0.000 2.645) 3.058 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.553 0.000 1.341) 1.451 1.275 ( 10.548 0.000 3.301) 11.052 1.422 ( 2.932 0.000 6.864) 7.464 1.766 ( -5.035 0.000 -0.224) 5.040 1.876 ( -5.165 0.000 3.424) 6.197 1.979 ( 2.797 0.000 -0.476) 2.837 2.150 ( -3.912 0.000 -0.080) 3.913 2.293 ( 2.064 0.000 -0.010) 2.064 2.346 ( 1.636 0.000 0.293) 1.662 2.356 ( 2.186 0.000 6.607) 6.959 2.447 ( 3.243 0.000 5.634) 6.501 2.515 ( 5.132 0.000 8.537) 9.961 2.527 ( -7.976 0.000 4.093) 8.965 2.697 ( 4.666 0.000 -8.936) 10.081 2.718 ( -3.764 0.000 1.484) 4.047 2.938 ( -2.367 0.000 2.288) 3.292 2.938 ( -2.243 0.000 1.135) 2.514 3.017 ( -1.784 0.000 0.428) 1.834 3.118 ( -1.747 0.000 -3.011) 3.481 3.132 ( 2.113 0.000 -1.080) 2.373 3.321 ( -5.599 0.000 -3.062) 6.381 3.584 ( 0.250 0.000 -9.981) 9.984 3.648 ( 6.484 0.000 -4.049) 7.644 3.769 ( -2.554 0.000 -0.360) 2.580 4.138 ( 1.304 0.000 2.650) 2.954 4.145 ( -2.114 0.000 5.253) 5.662 4.410 ( 0.779 0.000 8.490) 8.526 4.519 ( 1.696 0.000 -3.382) 3.784 4.641 ( 2.702 0.000 -6.859) 7.372 4.817 ( -2.477 0.000 7.343) 7.749 4.890 ( -0.759 0.000 -3.870) 3.944 4.921 ( -1.739 0.000 5.390) 5.664 4.964 ( -1.694 0.000 1.538) 2.288 5.048 ( -1.475 0.000 -3.691) 3.975 5.102 ( -2.004 0.000 -4.242) 4.691 5.302 ( 3.054 0.000 -1.511) 3.407 5.321 ( 1.844 0.000 -0.231) 1.858 5.508 ( 0.541 0.000 0.769) 0.940 5.600 ( -2.404 0.000 2.260) 3.300 5.708 ( 0.130 0.000 -4.430) 4.432 5.859 ( 1.021 0.000 -0.908) 1.366 5.890 ( 1.294 0.000 0.392) 1.352 5.978 ( -3.350 0.000 -0.286) 3.362 6.013 ( 2.067 0.000 1.006) 2.298 6.144 ( -2.842 0.000 0.649) 2.915 6.196 ( -1.737 0.000 0.547) 1.821 6.265 ( -2.175 0.000 1.643) 2.726 6.330 ( 4.600 0.000 -6.066) 7.613 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.471 0.000 3.329) 3.640 1.388 ( -3.295 0.000 1.898) 3.802 1.442 ( -2.235 0.000 5.358) 5.806 1.728 ( 4.175 0.000 -0.127) 4.177 1.838 ( 0.855 0.000 2.935) 3.057 2.000 ( -1.152 0.000 5.416) 5.537 2.109 ( -1.641 0.000 1.813) 2.445 2.277 ( -1.343 0.000 -3.873) 4.099 2.335 ( -6.746 0.000 7.011) 9.730 2.406 ( 2.434 0.000 2.629) 3.582 2.446 ( 3.957 0.000 -1.196) 4.134 2.573 ( 4.810 0.000 2.283) 5.325 2.610 ( 0.466 0.000 3.425) 3.456 2.634 ( -8.704 0.000 -3.699) 9.457 2.696 ( 3.326 0.000 6.444) 7.251 2.875 ( -2.558 0.000 3.806) 4.585 2.896 ( -2.179 0.000 -0.013) 2.179 2.996 ( -2.748 0.000 -0.312) 2.766 3.144 ( 6.264 0.000 -6.381) 8.942 3.193 ( 3.753 0.000 -1.359) 3.991 3.251 ( -1.139 0.000 -2.704) 2.934 3.562 ( -0.552 0.000 -7.590) 7.611 3.713 ( -2.842 0.000 -1.667) 3.295 3.755 ( 5.099 0.000 -3.395) 6.126 4.114 ( -2.104 0.000 6.072) 6.426 4.172 ( 1.329 0.000 3.748) 3.976 4.446 ( -0.649 0.000 6.128) 6.162 4.518 ( 0.382 0.000 0.197) 0.429 4.665 ( 0.972 0.000 -7.216) 7.281 4.771 ( -2.141 0.000 2.606) 3.372 4.862 ( -1.163 0.000 -4.680) 4.822 4.931 ( 0.842 0.000 7.187) 7.237 4.937 ( -1.188 0.000 2.362) 2.644 5.014 ( -1.791 0.000 -3.381) 3.826 5.078 ( 1.141 0.000 -4.342) 4.490 5.346 ( 1.104 0.000 -1.728) 2.051 5.379 ( 4.512 0.000 -0.665) 4.561 5.513 ( -0.457 0.000 0.503) 0.679 5.555 ( -2.632 0.000 1.768) 3.171 5.713 ( 1.109 0.000 -4.917) 5.041 5.860 ( -0.652 0.000 1.074) 1.256 5.903 ( -3.744 0.000 -0.631) 3.797 5.936 ( 3.061 0.000 1.615) 3.461 6.033 ( -1.169 0.000 0.015) 1.169 6.107 ( 0.019 0.000 1.171) 1.171 6.161 ( -1.703 0.000 -0.011) 1.704 6.222 ( -2.389 0.000 0.308) 2.409 6.405 ( 3.915 0.000 -5.003) 6.352 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -14.193 0.000 2.033) 14.338 1.246 ( -0.639 0.000 3.818) 3.871 1.386 ( -2.519 0.000 3.904) 4.646 1.817 ( -0.646 0.000 2.714) 2.790 1.891 ( 2.585 0.000 4.459) 5.154 2.017 ( 3.793 0.000 11.087) 11.718 2.061 ( -2.966 0.000 2.853) 4.116 2.240 ( -2.047 0.000 -2.940) 3.582 2.250 ( -1.833 0.000 2.577) 3.163 2.358 ( -12.176 0.000 0.438) 12.184 2.480 ( 2.477 0.000 -1.526) 2.909 2.538 ( 1.193 0.000 0.796) 1.434 2.634 ( 5.976 0.000 1.689) 6.211 2.671 ( 1.593 0.000 0.580) 1.695 2.802 ( 4.143 0.000 6.458) 7.673 2.854 ( -2.115 0.000 -0.010) 2.115 2.858 ( -0.085 0.000 3.825) 3.826 2.904 ( -4.674 0.000 -3.236) 5.685 3.229 ( 1.406 0.000 -6.682) 6.828 3.256 ( 2.763 0.000 -1.741) 3.266 3.296 ( 6.048 0.000 -2.965) 6.736 3.536 ( -0.655 0.000 -5.510) 5.549 3.671 ( 0.313 0.000 -5.806) 5.814 3.829 ( 3.106 0.000 -2.237) 3.827 4.092 ( -1.459 0.000 6.690) 6.847 4.197 ( 0.343 0.000 3.818) 3.834 4.367 ( -6.137 0.000 0.961) 6.212 4.583 ( 3.720 0.000 6.728) 7.688 4.650 ( -0.937 0.000 -7.005) 7.067 4.751 ( -0.543 0.000 0.656) 0.852 4.835 ( -0.330 0.000 -5.118) 5.129 4.935 ( 0.680 0.000 3.609) 3.672 4.971 ( -1.678 0.000 -3.965) 4.306 4.975 ( 2.239 0.000 7.432) 7.762 5.123 ( 3.829 0.000 -2.418) 4.529 5.361 ( 0.852 0.000 -2.510) 2.651 5.458 ( 3.455 0.000 0.104) 3.456 5.498 ( -0.540 0.000 -0.961) 1.102 5.504 ( -2.924 0.000 1.460) 3.268 5.723 ( 0.678 0.000 -4.329) 4.382 5.832 ( -2.917 0.000 3.195) 4.326 5.842 ( -2.196 0.000 -0.461) 2.244 5.981 ( -3.219 0.000 -1.489) 3.546 6.006 ( 3.335 0.000 2.244) 4.020 6.138 ( -0.436 0.000 -0.916) 1.014 6.140 ( 2.260 0.000 1.343) 2.629 6.181 ( -1.348 0.000 -0.618) 1.482 6.456 ( 2.167 0.000 -3.726) 4.310 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -13.786 0.000 5.978) 15.026 1.130 ( -11.387 0.000 11.800) 16.399 1.478 ( 10.224 0.000 -3.024) 10.662 1.730 ( -8.045 0.000 14.089) 16.224 1.914 ( -0.894 0.000 5.741) 5.810 2.023 ( -9.262 0.000 5.929) 10.997 2.064 ( 2.609 0.000 0.086) 2.610 2.215 ( 1.095 0.000 0.449) 1.183 2.239 ( 1.714 0.000 2.170) 2.765 2.254 ( 1.308 0.000 0.634) 1.453 2.518 ( 0.972 0.000 -2.119) 2.331 2.524 ( -1.093 0.000 0.098) 1.098 2.652 ( -2.630 0.000 -0.525) 2.682 2.771 ( -5.127 0.000 -1.873) 5.458 2.783 ( 2.789 0.000 0.956) 2.949 2.823 ( 2.198 0.000 7.542) 7.856 2.865 ( 2.210 0.000 -1.443) 2.639 2.950 ( 5.752 0.000 0.103) 5.753 3.221 ( -1.381 0.000 -7.120) 7.253 3.283 ( 0.240 0.000 -2.215) 2.228 3.362 ( 2.032 0.000 -0.890) 2.219 3.517 ( -0.596 0.000 -3.181) 3.237 3.734 ( 7.257 0.000 -10.363) 12.652 3.857 ( -0.032 0.000 -2.621) 2.622 4.084 ( -0.624 0.000 6.687) 6.716 4.200 ( -0.646 0.000 3.132) 3.198 4.257 ( -4.821 0.000 1.456) 5.036 4.610 ( -1.592 0.000 -6.352) 6.548 4.645 ( 0.614 0.000 6.945) 6.972 4.745 ( -0.191 0.000 1.379) 1.392 4.835 ( 1.317 0.000 -4.519) 4.707 4.940 ( -0.610 0.000 -3.827) 3.875 4.982 ( 3.006 0.000 4.394) 5.323 5.043 ( 3.102 0.000 5.719) 6.506 5.205 ( 4.692 0.000 -1.416) 4.901 5.361 ( -0.444 0.000 -2.164) 2.210 5.451 ( -2.080 0.000 1.227) 2.415 5.509 ( 2.321 0.000 -2.694) 3.555 5.515 ( 2.212 0.000 1.169) 2.502 5.709 ( -2.522 0.000 -1.382) 2.876 5.765 ( -3.429 0.000 2.057) 3.999 5.813 ( -1.064 0.000 -0.300) 1.105 5.916 ( -2.940 0.000 -1.748) 3.420 6.038 ( -1.046 0.000 0.822) 1.331 6.146 ( 1.778 0.000 -0.870) 1.980 6.187 ( 2.209 0.000 0.751) 2.333 6.191 ( 2.333 0.000 0.397) 2.367 6.472 ( 0.069 0.000 -2.721) 2.721 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -3.174 0.000 14.905) 15.239 0.937 ( -9.874 0.000 17.270) 19.893 1.594 ( -9.263 0.000 26.427) 28.004 1.672 ( 8.156 0.000 -5.882) 10.056 1.871 ( -5.135 0.000 -2.237) 5.601 1.909 ( -0.088 0.000 5.483) 5.484 2.126 ( 3.605 0.000 -0.571) 3.650 2.179 ( -2.638 0.000 0.378) 2.664 2.288 ( 1.856 0.000 -0.887) 2.057 2.345 ( 4.713 0.000 1.179) 4.858 2.509 ( -0.781 0.000 -0.396) 0.875 2.518 ( 0.701 0.000 0.233) 0.739 2.593 ( -2.834 0.000 -1.557) 3.233 2.707 ( -0.964 0.000 -2.149) 2.356 2.748 ( -2.556 0.000 1.496) 2.961 2.855 ( -0.924 0.000 0.131) 0.933 2.980 ( 6.630 0.000 3.298) 7.405 3.066 ( 5.019 0.000 1.033) 5.124 3.153 ( -3.023 0.000 -1.575) 3.409 3.255 ( -2.498 0.000 -1.677) 3.009 3.424 ( 4.830 0.000 -3.060) 5.718 3.492 ( -1.608 0.000 -2.255) 2.770 3.812 ( -3.693 0.000 -4.581) 5.884 3.850 ( 5.404 0.000 -11.065) 12.314 4.098 ( 0.860 0.000 6.055) 6.116 4.187 ( -1.220 0.000 2.029) 2.368 4.204 ( -0.559 0.000 1.776) 1.862 4.571 ( -0.984 0.000 -5.574) 5.660 4.629 ( -3.299 0.000 6.666) 7.438 4.753 ( 0.310 0.000 3.820) 3.833 4.865 ( 2.317 0.000 -3.462) 4.166 4.940 ( 1.569 0.000 -3.438) 3.779 5.032 ( 0.204 0.000 3.702) 3.708 5.101 ( 2.071 0.000 2.313) 3.105 5.276 ( 1.820 0.000 -0.261) 1.839 5.348 ( 0.055 0.000 -3.765) 3.766 5.437 ( -0.397 0.000 0.141) 0.422 5.563 ( 2.844 0.000 3.183) 4.268 5.572 ( 4.240 0.000 -3.287) 5.365 5.612 ( -5.645 0.000 2.593) 6.212 5.736 ( -0.515 0.000 -0.155) 0.538 5.789 ( -0.897 0.000 -1.195) 1.494 5.875 ( -0.753 0.000 -0.436) 0.870 5.992 ( -3.081 0.000 -0.932) 3.219 6.187 ( 2.185 0.000 -0.658) 2.282 6.222 ( 1.159 0.000 0.033) 1.160 6.249 ( 2.809 0.000 2.004) 3.451 6.445 ( -2.398 0.000 -1.470) 2.813 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 3.706 9.792 15.746) 18.909 0.966 ( -0.024 9.145 16.508) 18.872 1.630 ( -1.250 5.448 9.238) 10.798 1.746 ( -1.978 7.491 4.335) 8.878 1.862 ( 0.636 4.139 -4.604) 6.224 1.986 ( 1.839 3.816 6.955) 8.144 2.120 ( -0.273 -2.528 0.731) 2.645 2.142 ( 1.358 -3.886 2.042) 4.595 2.279 ( -1.354 -6.401 -2.015) 6.846 2.306 ( 0.768 -1.367 -1.472) 2.150 2.457 ( -0.933 -4.408 -2.437) 5.122 2.529 ( -1.476 -0.934 1.546) 2.333 2.581 ( 1.035 0.505 -1.841) 2.171 2.679 ( 2.499 -0.882 3.201) 4.155 2.803 ( -0.887 0.177 -3.346) 3.467 2.844 ( -0.641 5.078 -1.924) 5.468 2.999 ( 1.482 -2.631 2.680) 4.038 3.124 ( -1.472 -1.457 -1.031) 2.314 3.181 ( 2.571 2.153 1.112) 3.533 3.222 ( -0.104 1.352 4.847) 5.033 3.391 ( -0.948 -4.821 -2.522) 5.523 3.509 ( 1.230 -0.512 -2.059) 2.453 3.681 ( -4.175 -2.735 -4.442) 6.682 3.874 ( 1.766 -1.345 -7.437) 7.761 4.166 ( -0.300 4.764 0.180) 4.776 4.227 ( 2.567 3.222 1.517) 4.391 4.269 ( -0.392 4.188 1.539) 4.479 4.542 ( -4.513 -0.760 7.263) 8.585 4.627 ( 0.767 2.103 0.565) 2.309 4.802 ( 0.465 4.581 0.729) 4.661 4.870 ( 1.721 -2.528 -2.050) 3.682 4.986 ( 2.712 -0.206 -2.719) 3.846 5.035 ( -1.703 1.811 2.231) 3.340 5.126 ( -3.396 1.357 0.057) 3.657 5.252 ( 0.424 -1.021 1.795) 2.108 5.324 ( -3.157 0.900 -4.620) 5.667 5.412 ( -1.671 -0.062 -0.205) 1.684 5.510 ( -1.291 -2.809 2.054) 3.711 5.575 ( 2.342 -3.726 2.097) 4.875 5.667 ( 3.198 -0.190 -3.634) 4.845 5.736 ( 0.886 -0.310 -0.610) 1.119 5.779 ( 3.450 -3.238 -3.886) 6.122 5.887 ( 1.625 0.501 -0.359) 1.737 5.936 ( -1.920 0.531 -1.627) 2.572 6.222 ( 0.789 0.600 0.441) 1.085 6.250 ( -0.226 1.692 -0.445) 1.765 6.292 ( 1.207 -0.252 2.793) 3.053 6.380 ( -3.007 -0.219 0.385) 3.040 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 2.674 7.951 13.447) 15.848 1.073 ( 6.957 8.337 13.965) 17.690 1.581 ( -4.696 3.239 -5.231) 7.740 1.784 ( 3.934 6.481 6.332) 9.878 1.891 ( 2.806 5.392 0.501) 6.099 2.008 ( -0.666 1.954 2.994) 3.637 2.093 ( -0.779 1.784 8.377) 8.600 2.218 ( 3.495 -5.163 4.600) 7.748 2.269 ( 0.959 -7.410 -2.895) 8.014 2.306 ( -0.155 -1.803 -0.845) 1.997 2.428 ( -2.788 -3.697 -2.841) 5.433 2.495 ( -0.924 -0.675 -0.500) 1.249 2.563 ( -2.235 0.098 -0.178) 2.245 2.706 ( -3.016 -2.097 1.513) 3.973 2.793 ( 2.829 -0.018 -0.227) 2.838 2.853 ( 1.149 2.599 -1.855) 3.394 3.005 ( -1.523 -1.104 1.230) 2.248 3.089 ( -1.180 -1.661 -0.546) 2.110 3.203 ( -1.270 -0.481 1.910) 2.343 3.222 ( -1.466 4.254 5.313) 6.962 3.397 ( 3.646 -2.121 -6.300) 7.581 3.510 ( -1.796 -3.029 -3.284) 4.815 3.625 ( -0.067 -1.151 -3.841) 4.010 3.865 ( -1.191 1.037 -5.274) 5.505 4.153 ( -0.481 3.746 -0.109) 3.778 4.251 ( -0.768 6.799 3.291) 7.592 4.322 ( 5.312 -0.916 -2.143) 5.800 4.469 ( -4.121 0.735 7.571) 8.651 4.648 ( 1.044 2.027 1.426) 2.689 4.812 ( 0.271 4.001 2.129) 4.540 4.895 ( 1.169 -1.682 -2.640) 3.342 5.006 ( -1.410 0.890 2.044) 2.638 5.033 ( 1.375 -3.779 -0.986) 4.141 5.046 ( -3.566 1.100 0.718) 3.800 5.229 ( -4.692 1.713 -2.922) 5.787 5.264 ( 0.416 0.525 1.510) 1.652 5.367 ( -2.740 0.910 -0.745) 2.982 5.498 ( -0.726 -1.789 -0.677) 2.046 5.604 ( 0.075 -3.932 2.921) 4.898 5.707 ( 0.905 -3.146 -2.638) 4.204 5.759 ( 2.720 0.182 -2.210) 3.509 5.850 ( 2.316 -2.289 -2.274) 3.972 5.915 ( 1.280 1.251 -0.206) 1.801 5.955 ( 4.902 -0.183 -3.777) 6.191 6.216 ( -1.416 1.168 -0.037) 1.836 6.238 ( -0.882 0.642 0.253) 1.120 6.306 ( -0.412 -0.431 3.099) 3.156 6.325 ( -2.536 0.374 -0.086) 2.565 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 6.108 4.744 7.374) 10.686 1.255 ( 8.221 6.483 9.930) 14.430 1.477 ( -4.011 6.070 -3.399) 8.030 1.835 ( -0.139 0.706 -2.578) 2.677 1.911 ( -2.010 -1.152 1.941) 3.022 1.995 ( 0.294 3.117 1.922) 3.673 2.131 ( -0.747 -1.856 7.521) 7.782 2.247 ( -0.931 -3.531 0.606) 3.702 2.310 ( 2.188 0.239 2.395) 3.253 2.342 ( 3.933 -1.591 5.033) 6.583 2.356 ( 0.254 -3.502 -0.533) 3.551 2.482 ( -2.288 1.685 3.750) 4.705 2.545 ( 2.079 -2.017 -5.726) 6.417 2.629 ( -4.330 -2.762 1.783) 5.436 2.814 ( -1.947 1.698 -1.396) 2.937 2.879 ( 0.945 -2.915 3.652) 4.768 2.974 ( -0.241 0.299 -0.417) 0.567 3.081 ( 0.379 -0.748 -1.387) 1.621 3.157 ( -2.988 0.541 1.710) 3.485 3.189 ( -2.191 3.933 2.657) 5.228 3.430 ( -4.550 -1.672 -4.813) 6.831 3.506 ( 7.336 -0.251 -6.643) 9.900 3.628 ( 0.021 1.370 -3.562) 3.817 3.822 ( -2.236 0.792 -2.020) 3.116 4.154 ( 0.464 3.589 1.234) 3.823 4.237 ( -1.282 6.141 2.772) 6.859 4.406 ( 0.753 -2.281 3.989) 4.657 4.438 ( 2.298 2.763 0.467) 3.624 4.669 ( 0.903 1.237 0.407) 1.584 4.814 ( -0.842 1.998 3.134) 3.811 4.903 ( 0.313 -0.697 -2.456) 2.572 4.971 ( -3.359 -0.892 5.015) 6.101 4.987 ( -2.092 1.389 0.418) 2.545 5.057 ( 1.469 -4.701 -3.796) 6.218 5.147 ( -3.255 2.244 -1.390) 4.191 5.278 ( 0.229 0.606 -0.167) 0.669 5.324 ( -0.476 1.629 -1.205) 2.081 5.485 ( -0.162 -1.662 -0.064) 1.671 5.596 ( -1.248 -3.461 1.803) 4.097 5.702 ( -0.291 -2.394 -2.868) 3.747 5.809 ( 2.312 -0.915 -2.188) 3.312 5.866 ( 0.501 -1.050 -1.098) 1.599 5.962 ( 2.821 0.624 0.735) 2.981 6.027 ( 1.698 0.190 -2.415) 2.958 6.187 ( -1.271 0.626 -0.868) 1.662 6.213 ( -1.398 -0.573 0.800) 1.710 6.290 ( -0.438 0.504 -1.795) 1.915 6.292 ( -1.443 -0.460 1.795) 2.348 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 6.580 1.667 2.040) 7.088 1.366 ( 1.611 6.886 3.082) 7.715 1.464 ( 2.841 4.005 4.923) 6.953 1.770 ( -5.130 0.286 -0.300) 5.147 1.844 ( -3.748 -2.528 3.291) 5.592 2.015 ( -1.809 2.178 -0.318) 2.849 2.086 ( 0.012 -3.549 2.501) 4.341 2.229 ( -0.709 -4.629 -1.344) 4.872 2.331 ( 1.596 -2.717 -0.726) 3.234 2.412 ( -1.387 1.742 2.921) 3.673 2.434 ( 3.525 -5.913 6.278) 9.316 2.490 ( -3.828 0.292 3.269) 5.042 2.501 ( 3.504 1.351 3.582) 5.190 2.645 ( 3.714 -2.192 -3.550) 5.585 2.751 ( -2.640 -0.331 1.150) 2.899 2.871 ( -1.844 0.202 -0.382) 1.894 2.998 ( 1.604 0.170 1.396) 2.133 3.071 ( -2.141 2.818 -1.001) 3.678 3.138 ( 1.098 1.545 -0.370) 1.931 3.161 ( 0.236 3.673 -0.432) 3.706 3.327 ( -4.925 1.938 -1.539) 5.512 3.605 ( -0.233 1.860 -7.210) 7.450 3.634 ( 5.562 -1.020 -2.584) 6.217 3.771 ( -2.797 0.034 -0.425) 2.829 4.174 ( 0.896 3.969 3.364) 5.279 4.214 ( -1.349 5.692 2.561) 6.385 4.419 ( 0.986 0.161 7.394) 7.461 4.499 ( 2.341 0.757 -3.032) 3.904 4.682 ( 0.604 0.115 -2.035) 2.125 4.780 ( -3.184 -1.364 1.713) 3.864 4.900 ( -0.712 -0.165 -1.895) 2.031 4.916 ( -1.749 -0.159 4.621) 4.943 4.954 ( -1.668 -0.059 2.256) 2.806 5.079 ( 1.180 -1.095 -5.290) 5.530 5.093 ( -2.239 2.524 -1.193) 3.579 5.280 ( 1.280 -0.788 -1.419) 2.067 5.341 ( 1.499 0.289 -1.411) 2.079 5.498 ( 1.062 -0.729 1.502) 1.979 5.566 ( -2.075 -3.056 1.648) 4.044 5.698 ( 0.722 -0.946 -3.879) 4.058 5.832 ( 0.406 -2.167 -1.235) 2.527 5.876 ( 0.881 -1.318 -0.351) 1.624 6.000 ( -2.775 1.187 -1.090) 3.209 6.015 ( 1.783 0.640 1.194) 2.239 6.143 ( -2.782 0.042 0.816) 2.900 6.200 ( -0.973 0.204 0.072) 0.996 6.261 ( -2.070 -0.372 1.541) 2.607 6.317 ( 3.706 -1.165 -5.256) 6.536 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -1.144 5.070 2.779) 5.894 1.385 ( -3.167 1.035 2.268) 4.031 1.502 ( -2.816 4.388 3.869) 6.493 1.730 ( 4.844 -0.243 -0.763) 4.910 1.829 ( 0.801 -1.341 4.774) 5.023 1.934 ( -5.114 -5.012 4.904) 8.679 2.126 ( 1.819 1.382 1.585) 2.780 2.213 ( -1.167 -3.348 0.070) 3.546 2.327 ( -4.701 -3.831 -0.297) 6.072 2.392 ( 3.353 -1.709 -0.531) 3.801 2.430 ( 0.017 2.111 2.181) 3.035 2.493 ( -0.516 -7.400 1.791) 7.631 2.606 ( 4.749 0.517 1.079) 4.898 2.626 ( -3.935 0.453 2.670) 4.777 2.755 ( 0.723 -0.705 -0.395) 1.084 2.860 ( 1.771 2.498 -0.915) 3.196 3.002 ( -2.535 2.993 -1.167) 4.092 3.025 ( -1.889 5.335 4.011) 6.937 3.142 ( 1.149 0.188 -3.241) 3.444 3.234 ( 3.559 4.414 -0.320) 5.680 3.253 ( 0.149 1.505 -1.331) 2.015 3.573 ( -1.514 0.732 -5.069) 5.341 3.705 ( -1.345 -1.401 -0.429) 1.989 3.739 ( 3.319 -0.403 -3.268) 4.675 4.177 ( -1.267 5.799 4.337) 7.351 4.219 ( 0.962 4.188 3.094) 5.295 4.470 ( 0.819 1.642 8.379) 8.577 4.498 ( -0.303 -0.449 -2.242) 2.307 4.685 ( 0.274 0.546 -5.083) 5.120 4.728 ( -1.544 -3.066 0.395) 3.455 4.875 ( -0.945 0.575 -1.834) 2.142 4.917 ( -0.278 -1.268 4.191) 4.387 4.933 ( -0.641 0.002 3.233) 3.296 5.047 ( -1.951 1.936 -3.062) 4.114 5.091 ( 1.433 1.817 -3.367) 4.085 5.322 ( 2.686 -1.988 -1.582) 3.697 5.374 ( 2.512 -1.007 -1.698) 3.195 5.501 ( -1.779 -0.889 1.000) 2.226 5.538 ( -0.609 -1.307 2.179) 2.613 5.712 ( 1.267 -0.038 -4.887) 5.048 5.823 ( -1.205 -3.036 0.744) 3.350 5.892 ( -0.434 -1.434 -0.366) 1.542 5.952 ( -0.163 1.296 0.418) 1.372 6.025 ( -1.553 -0.695 -0.343) 1.736 6.117 ( 0.554 1.002 1.267) 1.707 6.172 ( -1.575 0.837 -0.223) 1.798 6.220 ( -2.211 -0.117 0.223) 2.225 6.384 ( 3.688 -2.015 -4.480) 6.142 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -12.311 3.056 2.485) 12.925 1.305 ( -0.668 5.418 2.793) 6.132 1.423 ( -2.956 3.435 3.614) 5.796 1.779 ( -4.219 -3.985 7.143) 9.203 1.870 ( 2.690 -1.249 3.986) 4.969 1.962 ( 7.185 -2.844 1.673) 7.906 2.140 ( -0.960 4.132 5.019) 6.572 2.198 ( 0.597 -2.438 0.227) 2.520 2.239 ( -3.505 -1.324 -2.070) 4.281 2.374 ( -7.638 -0.566 -0.385) 7.669 2.468 ( 2.265 -1.594 0.030) 2.770 2.499 ( 3.694 -2.851 -0.437) 4.687 2.585 ( 0.245 -0.250 0.867) 0.935 2.684 ( 2.973 -0.971 1.523) 3.478 2.767 ( 0.093 -2.388 2.987) 3.825 2.871 ( -3.211 2.146 -0.256) 3.871 2.947 ( -1.046 7.005 4.418) 8.347 2.981 ( -2.030 5.077 -1.248) 5.608 3.174 ( 2.224 -3.208 -4.656) 6.076 3.236 ( 0.909 -1.550 -0.619) 1.900 3.373 ( 7.264 5.766 -2.971) 9.739 3.520 ( -3.091 -1.125 -3.506) 4.808 3.674 ( -0.114 0.119 -4.549) 4.552 3.806 ( 2.995 -1.874 -0.594) 3.582 4.161 ( -1.124 6.332 4.318) 7.746 4.237 ( -0.028 3.363 3.364) 4.757 4.405 ( -4.816 3.825 0.941) 6.222 4.564 ( 2.962 -1.893 6.747) 7.608 4.676 ( 0.217 1.723 -6.279) 6.515 4.720 ( 0.431 -2.212 -0.742) 2.373 4.855 ( -0.694 1.183 -2.775) 3.095 4.917 ( 0.290 -0.666 1.747) 1.892 4.954 ( 1.557 -1.885 6.593) 7.032 5.014 ( -0.467 3.013 -2.297) 3.817 5.133 ( 3.459 1.155 -1.713) 4.029 5.362 ( 1.815 -0.165 -3.224) 3.703 5.423 ( 2.228 -2.985 -1.212) 3.917 5.456 ( -2.390 -2.539 1.116) 3.661 5.533 ( -0.343 1.185 1.215) 1.731 5.719 ( 0.377 -0.198 -4.772) 4.791 5.784 ( -3.152 -3.597 2.247) 5.284 5.860 ( -1.697 0.480 -0.822) 1.946 5.974 ( -2.808 -0.590 -1.309) 3.154 5.998 ( 2.922 -0.700 1.923) 3.567 6.141 ( 0.094 0.611 0.359) 0.715 6.155 ( 0.951 0.904 -0.006) 1.312 6.186 ( -0.571 0.668 -0.536) 1.029 6.433 ( 2.121 -2.126 -3.195) 4.385 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -11.540 6.509 6.242) 14.646 1.189 ( -10.610 5.586 11.403) 16.547 1.509 ( 9.232 3.055 -2.690) 10.090 1.729 ( -2.185 0.016 9.179) 9.435 1.892 ( -1.260 -1.493 2.889) 3.487 2.034 ( 0.631 -1.370 -0.564) 1.610 2.109 ( -6.242 3.909 6.928) 10.111 2.206 ( -0.496 -2.627 0.165) 2.678 2.248 ( 3.707 0.419 -1.119) 3.895 2.263 ( -0.175 3.821 3.003) 4.863 2.481 ( -0.764 -1.271 -1.350) 2.006 2.521 ( -0.517 -2.972 0.771) 3.114 2.616 ( 0.348 -3.616 -2.566) 4.448 2.727 ( -3.957 0.905 3.503) 5.361 2.761 ( 3.414 -1.807 4.565) 5.980 2.825 ( 2.101 -2.229 -2.238) 3.794 2.923 ( -2.153 5.612 0.686) 6.050 3.006 ( 3.740 3.703 0.175) 5.266 3.184 ( -0.504 -2.306 -4.434) 5.023 3.254 ( 0.609 -2.266 -1.826) 2.973 3.443 ( -1.756 2.580 -1.284) 3.375 3.484 ( 2.028 0.238 -2.477) 3.210 3.704 ( 4.473 -1.597 -6.554) 8.094 3.837 ( 0.107 -2.111 -1.495) 2.589 4.150 ( -0.834 6.017 3.913) 7.226 4.231 ( -1.003 3.001 3.030) 4.381 4.325 ( -3.241 5.575 0.819) 6.501 4.599 ( -0.419 -2.697 6.134) 6.714 4.664 ( -0.813 0.776 -3.517) 3.693 4.747 ( 2.337 2.223 -1.010) 3.380 4.840 ( -0.182 0.244 -2.638) 2.655 4.931 ( 0.883 0.021 -2.097) 2.275 5.009 ( 2.194 -1.228 6.237) 6.725 5.044 ( 3.943 2.969 0.998) 5.036 5.207 ( 3.725 0.432 -0.680) 3.811 5.367 ( -0.801 0.518 -2.276) 2.468 5.419 ( -0.541 -2.537 -0.158) 2.599 5.463 ( 1.814 -3.487 -0.639) 3.982 5.545 ( 1.806 1.318 -0.860) 2.395 5.693 ( -3.851 -1.479 0.017) 4.126 5.725 ( -1.803 -3.237 -0.614) 3.756 5.827 ( -1.511 0.790 -1.434) 2.228 5.916 ( -2.695 0.017 -1.275) 2.981 6.027 ( -0.907 -1.077 0.799) 1.619 6.150 ( 1.650 0.478 -0.284) 1.741 6.185 ( 2.374 0.006 0.702) 2.476 6.212 ( 2.164 1.735 0.230) 2.783 6.451 ( 0.188 -1.897 -2.065) 2.810 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -1.788 9.927 13.133) 16.559 1.020 ( -8.275 7.775 15.457) 19.179 1.638 ( 0.546 2.986 7.130) 7.749 1.746 ( 3.003 6.377 1.846) 7.286 1.861 ( -0.993 -0.434 -0.063) 1.086 1.977 ( -4.268 6.549 8.184) 11.317 2.080 ( 1.760 -3.867 0.353) 4.263 2.173 ( -1.929 -1.657 -0.664) 2.628 2.279 ( 1.878 -1.221 -0.379) 2.272 2.313 ( -0.471 -0.937 -0.171) 1.062 2.476 ( 0.401 -2.335 -0.399) 2.402 2.507 ( 0.446 -1.943 1.881) 2.741 2.589 ( -1.604 -1.160 -2.965) 3.565 2.669 ( -1.684 0.313 3.305) 3.722 2.802 ( 0.829 0.261 -2.849) 2.979 2.881 ( -2.076 3.504 -0.765) 4.144 2.927 ( 5.716 -3.366 2.862) 7.225 3.093 ( 4.262 2.199 1.417) 5.001 3.155 ( -0.605 -0.081 -2.458) 2.533 3.239 ( -1.771 -1.613 0.138) 2.400 3.414 ( -0.838 -3.354 -1.589) 3.805 3.499 ( 0.264 2.472 -1.663) 2.991 3.760 ( -1.246 -3.501 -2.641) 4.559 3.831 ( 2.853 -2.161 -8.173) 8.922 4.151 ( 0.511 5.148 2.761) 5.864 4.216 ( -0.940 3.923 1.937) 4.475 4.284 ( -1.429 5.191 1.576) 5.610 4.593 ( -1.717 -2.135 7.788) 8.255 4.631 ( -1.439 1.554 -2.530) 3.300 4.785 ( 1.421 4.165 -0.130) 4.402 4.844 ( 1.149 -1.687 -2.120) 2.943 4.948 ( 1.735 0.820 -3.453) 3.951 5.048 ( 0.358 1.203 3.158) 3.399 5.129 ( 3.160 2.734 1.186) 4.343 5.246 ( 0.354 -2.015 0.103) 2.049 5.350 ( 0.005 0.066 -2.455) 2.456 5.424 ( 0.430 -1.170 -0.308) 1.284 5.508 ( 2.809 -3.815 1.027) 4.848 5.587 ( -4.475 -1.555 1.191) 4.885 5.601 ( 2.831 0.513 -2.895) 4.082 5.710 ( 0.346 -2.347 -1.467) 2.789 5.790 ( -1.963 -0.322 -1.744) 2.646 5.879 ( -0.723 0.432 -0.397) 0.931 5.986 ( -2.654 -0.542 -0.767) 2.815 6.191 ( 2.145 0.514 0.038) 2.206 6.237 ( 1.907 0.818 0.732) 2.200 6.253 ( 2.045 0.821 1.281) 2.549 6.431 ( -1.916 -1.207 -0.855) 2.421 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 2.378 13.660 10.530) 17.411 1.189 ( 1.016 12.758 11.614) 17.282 1.705 ( -1.811 3.031 -3.670) 5.092 1.852 ( 2.284 0.745 2.458) 3.437 1.941 ( 5.617 -0.250 -3.752) 6.760 1.965 ( -1.113 -5.850 1.318) 6.099 2.078 ( -0.099 -5.081 -2.049) 5.479 2.142 ( -1.118 2.652 4.338) 5.205 2.256 ( -5.321 3.448 0.861) 6.399 2.274 ( 1.412 4.579 3.706) 6.057 2.393 ( 0.536 -0.560 -1.272) 1.490 2.519 ( -0.635 -0.306 -1.282) 1.463 2.573 ( -0.463 -0.100 -1.623) 1.691 2.684 ( 0.208 1.495 3.887) 4.169 2.774 ( -1.372 -1.686 -0.356) 2.203 2.885 ( -1.292 -1.071 1.882) 2.522 3.032 ( 2.341 3.931 -1.370) 4.776 3.065 ( -1.964 -2.940 -2.532) 4.349 3.197 ( 0.232 -0.219 -0.108) 0.337 3.273 ( 0.760 0.119 2.051) 2.191 3.287 ( 4.205 -2.172 4.474) 6.513 3.495 ( -2.543 -1.484 -0.332) 2.963 3.629 ( -3.408 -2.191 -1.032) 4.181 3.799 ( 1.978 -6.171 -1.802) 6.727 4.282 ( -0.570 5.944 -1.288) 6.108 4.303 ( 1.028 4.424 -1.689) 4.846 4.381 ( -0.018 6.425 3.580) 7.355 4.540 ( -2.099 -0.262 4.053) 4.571 4.612 ( 0.032 -1.335 7.257) 7.379 4.790 ( 0.180 -3.498 2.129) 4.099 4.895 ( 0.962 1.439 -1.957) 2.613 4.977 ( 0.643 -0.855 -2.561) 2.776 5.070 ( -3.057 1.591 3.044) 4.598 5.195 ( -2.031 5.631 -6.233) 8.642 5.257 ( 0.734 0.593 3.346) 3.476 5.345 ( -0.885 0.680 -2.144) 2.417 5.394 ( -0.868 -1.012 -2.104) 2.491 5.430 ( -0.552 -4.090 1.547) 4.408 5.512 ( 0.542 -2.637 -0.675) 2.775 5.651 ( 0.336 -1.941 -5.118) 5.484 5.703 ( 5.678 -3.126 -5.527) 8.518 5.722 ( 0.793 -1.447 -4.181) 4.495 5.904 ( 1.319 1.103 0.008) 1.719 5.942 ( -0.866 0.054 -1.121) 1.417 6.241 ( 0.783 1.131 1.584) 2.098 6.281 ( 0.867 0.464 1.551) 1.836 6.293 ( -0.450 1.223 1.370) 1.891 6.373 ( -2.137 -0.562 0.333) 2.235 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 1.008 11.918 9.197) 15.088 1.282 ( 5.298 12.131 10.113) 16.658 1.667 ( -0.959 4.621 -4.959) 6.845 1.871 ( -0.307 0.840 -2.847) 2.984 1.924 ( -2.449 -1.443 0.372) 2.867 2.049 ( 2.793 -2.397 -1.179) 3.865 2.080 ( 1.470 -5.172 4.296) 6.882 2.106 ( -2.529 -3.631 2.745) 5.207 2.196 ( -0.779 0.467 -2.325) 2.496 2.334 ( 2.850 4.681 3.281) 6.388 2.385 ( -1.638 1.171 -0.466) 2.067 2.500 ( 0.514 2.370 -0.532) 2.483 2.556 ( -1.079 0.117 0.989) 1.469 2.664 ( -3.767 -1.928 0.246) 4.239 2.778 ( 2.416 -0.558 3.226) 4.069 2.848 ( -2.402 -2.135 0.505) 3.253 2.985 ( -3.315 -3.867 0.033) 5.094 3.055 ( -1.043 -0.565 -3.737) 3.921 3.187 ( -1.010 0.012 3.291) 3.443 3.329 ( 0.414 5.620 5.505) 7.878 3.375 ( 6.459 0.802 -2.526) 6.982 3.457 ( -1.508 -2.572 -1.487) 3.332 3.606 ( 1.795 -0.708 -0.620) 2.027 3.825 ( 0.563 -5.539 -0.949) 5.648 4.246 ( -1.418 4.902 -2.127) 5.529 4.349 ( 2.662 4.030 -0.710) 4.881 4.384 ( -0.541 5.260 3.168) 6.164 4.511 ( -0.979 2.467 3.194) 4.153 4.629 ( -0.184 -0.727 8.393) 8.426 4.811 ( 1.654 -4.644 1.241) 5.084 4.897 ( -0.377 1.083 -3.352) 3.543 4.953 ( -2.866 -3.570 1.931) 4.968 5.022 ( -1.878 1.050 0.315) 2.174 5.141 ( -2.484 6.839 -4.100) 8.351 5.257 ( -1.982 -1.039 0.224) 2.249 5.288 ( -1.626 3.256 0.418) 3.664 5.365 ( -1.618 -0.740 -2.452) 3.029 5.446 ( 0.369 -3.286 0.275) 3.318 5.517 ( 0.075 -3.813 0.944) 3.929 5.640 ( 0.259 -3.604 -4.741) 5.961 5.760 ( 2.840 -0.206 -4.713) 5.506 5.796 ( 4.195 -2.631 -4.810) 6.903 5.937 ( 1.338 0.912 -0.139) 1.625 5.954 ( 3.269 0.070 -1.837) 3.751 6.241 ( -1.145 1.151 2.205) 2.738 6.260 ( -2.336 1.548 -0.148) 2.806 6.295 ( -0.483 -0.545 3.059) 3.144 6.329 ( -2.172 -0.089 -0.500) 2.230 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 1.824 8.828 5.159) 10.386 1.421 ( 6.395 9.748 8.130) 14.213 1.633 ( -2.109 8.550 -4.481) 9.880 1.838 ( -2.873 -3.006 -1.170) 4.320 1.867 ( -3.222 -0.774 -0.178) 3.319 2.031 ( -1.794 -0.825 4.058) 4.513 2.086 ( -0.029 -2.345 -1.371) 2.716 2.163 ( 3.062 -8.356 5.031) 10.223 2.181 ( -0.422 -2.490 -2.424) 3.501 2.280 ( -3.197 -1.278 -2.884) 4.491 2.443 ( 3.604 -0.223 1.482) 3.904 2.526 ( -2.311 2.226 2.377) 3.993 2.542 ( -0.492 0.565 -1.022) 1.267 2.580 ( -0.627 2.280 0.492) 2.415 2.799 ( -2.723 -1.951 0.521) 3.390 2.843 ( 2.395 -1.328 3.758) 4.650 2.949 ( 0.276 -3.382 -1.658) 3.776 3.040 ( 0.475 -2.715 -2.560) 3.762 3.176 ( -0.197 3.119 4.207) 5.241 3.305 ( -2.764 6.615 4.751) 8.601 3.416 ( -1.097 -0.550 -2.720) 2.984 3.523 ( 6.828 1.990 -1.708) 7.314 3.655 ( 1.958 1.412 -0.633) 2.495 3.807 ( -1.975 -2.885 -0.698) 3.565 4.236 ( 0.646 3.937 -0.401) 4.010 4.355 ( -1.732 4.160 2.602) 5.203 4.406 ( 2.004 3.298 0.808) 3.942 4.525 ( 1.783 5.021 1.306) 5.486 4.632 ( -1.053 -1.745 7.200) 7.483 4.836 ( -1.615 -1.901 -0.966) 2.675 4.863 ( -0.718 -3.141 -1.054) 3.390 4.922 ( -0.126 -4.966 2.761) 5.683 4.976 ( -3.283 0.004 0.686) 3.354 5.089 ( -1.620 6.078 -3.438) 7.168 5.204 ( -2.285 2.662 -0.904) 3.623 5.288 ( -0.094 0.522 -0.249) 0.586 5.332 ( -0.969 -0.546 -2.575) 2.805 5.443 ( 0.209 -2.677 0.399) 2.715 5.522 ( -0.056 -3.085 1.679) 3.513 5.648 ( 1.319 -2.822 -3.473) 4.665 5.791 ( 1.084 -0.918 -3.816) 4.072 5.838 ( 1.164 -1.656 -3.462) 4.011 5.975 ( 2.377 0.657 -0.327) 2.488 6.022 ( 3.131 -0.644 -1.702) 3.621 6.204 ( -3.149 0.752 0.341) 3.256 6.212 ( -1.726 0.716 1.209) 2.226 6.280 ( -1.437 -0.607 1.661) 2.279 6.296 ( -0.961 -0.021 -1.350) 1.657 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 5.281 4.552 1.661) 7.167 1.516 ( 0.427 6.894 4.589) 8.293 1.577 ( -2.006 7.582 -0.633) 7.868 1.760 ( -4.337 -2.336 2.478) 5.515 1.807 ( -2.553 0.015 0.423) 2.588 1.976 ( -5.607 -3.617 2.714) 7.204 2.103 ( 2.007 1.019 -0.751) 2.373 2.162 ( 0.536 -1.446 -2.102) 2.606 2.213 ( 0.982 -8.647 2.384) 9.023 2.291 ( 3.326 -4.007 0.380) 5.221 2.412 ( -4.321 -3.335 -2.107) 5.850 2.492 ( -0.898 1.285 2.165) 2.673 2.545 ( 2.395 0.650 -0.060) 2.482 2.639 ( 2.822 1.082 -2.177) 3.725 2.746 ( -2.902 0.403 2.483) 3.840 2.867 ( 0.844 -1.187 -2.104) 2.559 2.982 ( 2.065 -1.820 1.997) 3.401 3.056 ( 1.140 -3.082 -1.459) 3.596 3.215 ( 1.993 6.848 2.986) 7.732 3.265 ( -0.321 6.000 2.953) 6.695 3.397 ( -1.001 3.316 0.793) 3.553 3.618 ( 2.828 -1.029 1.169) 3.229 3.651 ( -1.931 2.983 -3.134) 4.738 3.768 ( -1.255 -0.140 -1.836) 2.228 4.264 ( 1.811 3.942 1.755) 4.679 4.328 ( -1.291 4.517 2.612) 5.375 4.441 ( 1.481 3.750 2.004) 4.503 4.566 ( 1.355 4.918 0.537) 5.129 4.624 ( -0.480 -3.560 4.324) 5.621 4.755 ( -4.542 -2.398 -1.685) 5.406 4.864 ( -0.099 -3.395 -0.732) 3.475 4.916 ( -2.145 0.839 3.438) 4.138 4.936 ( -0.485 -4.486 2.743) 5.280 5.076 ( 1.033 3.035 -5.283) 6.180 5.166 ( -1.475 3.560 -1.128) 4.015 5.269 ( -1.028 -0.920 -1.735) 2.217 5.324 ( 0.600 -0.913 -1.893) 2.186 5.470 ( 1.499 -3.466 2.299) 4.421 5.519 ( -0.240 0.151 1.767) 1.789 5.676 ( 2.252 -1.301 -2.979) 3.954 5.786 ( -0.762 -2.155 -2.960) 3.740 5.843 ( 0.312 -1.930 -2.436) 3.123 6.010 ( 0.463 0.399 -0.957) 1.136 6.035 ( -1.161 0.623 -0.142) 1.325 6.150 ( -2.116 0.714 0.853) 2.390 6.199 ( -0.024 -0.226 -0.226) 0.321 6.253 ( -1.683 -0.373 0.911) 1.950 6.291 ( 1.311 -1.296 -3.127) 3.630 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.152 3.959 1.955) 4.418 1.459 ( -3.383 7.525 0.446) 8.263 1.580 ( -1.540 2.784 1.966) 3.740 1.703 ( 2.341 -1.820 -0.296) 2.980 1.780 ( -3.490 -2.535 7.957) 9.051 1.865 ( -4.064 -2.460 2.504) 5.370 2.129 ( 1.824 -1.063 -1.232) 2.444 2.188 ( 0.307 -0.869 -1.528) 1.784 2.225 ( 0.100 -5.983 0.578) 6.012 2.346 ( 1.670 -2.005 0.263) 2.623 2.386 ( 1.947 -2.160 -3.135) 4.276 2.485 ( 0.231 2.909 1.885) 3.474 2.588 ( 1.951 -2.393 -0.400) 3.113 2.640 ( -2.385 -0.035 0.428) 2.423 2.718 ( 0.075 -0.709 -0.671) 0.979 2.893 ( 1.980 0.128 -3.549) 4.066 3.014 ( 0.779 -0.270 0.681) 1.070 3.079 ( 1.773 -1.481 0.484) 2.361 3.188 ( -2.898 4.836 3.591) 6.685 3.334 ( -2.053 6.233 2.788) 7.130 3.376 ( 3.570 7.451 1.879) 8.473 3.589 ( -3.405 1.674 -2.742) 4.681 3.653 ( 1.151 -3.462 2.556) 4.455 3.754 ( 0.328 1.310 -4.139) 4.354 4.298 ( 0.934 3.510 2.612) 4.474 4.318 ( -0.438 7.038 2.528) 7.491 4.480 ( 1.795 1.404 4.481) 5.027 4.555 ( -2.076 4.228 1.159) 4.851 4.644 ( 1.607 -2.920 0.353) 3.351 4.687 ( -1.703 -2.123 -2.283) 3.552 4.856 ( -0.472 -3.102 -0.764) 3.230 4.909 ( -1.857 -2.366 2.399) 3.847 4.912 ( 0.361 0.627 4.631) 4.687 5.082 ( 0.233 2.344 -6.047) 6.489 5.147 ( -0.061 2.673 -1.529) 3.080 5.276 ( 2.279 -2.807 -0.732) 3.689 5.342 ( 1.415 -1.203 -1.364) 2.305 5.466 ( -1.977 -2.526 1.726) 3.642 5.538 ( 1.054 1.441 2.089) 2.748 5.715 ( 2.068 0.322 -3.945) 4.466 5.753 ( -2.129 -3.692 -1.124) 4.408 5.850 ( 0.832 -2.555 -1.833) 3.253 5.976 ( -1.767 1.042 -0.605) 2.139 6.012 ( -1.852 -0.512 -0.913) 2.128 6.143 ( 0.991 1.501 0.971) 2.044 6.186 ( -1.232 0.456 -0.223) 1.332 6.220 ( -1.588 0.212 -0.011) 1.603 6.332 ( 3.012 -2.980 -3.156) 5.283 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -8.649 5.973 2.448) 10.792 1.439 ( -1.616 7.477 1.999) 7.907 1.509 ( -1.947 5.125 2.344) 5.962 1.710 ( -2.549 -1.769 8.017) 8.597 1.839 ( 1.107 -2.596 3.171) 4.245 1.866 ( 8.374 -7.134 -1.001) 11.046 2.156 ( -0.059 -2.493 -0.081) 2.495 2.178 ( -1.145 1.403 -0.541) 1.890 2.207 ( -0.288 -3.784 -3.656) 5.269 2.367 ( 0.897 1.820 1.383) 2.456 2.417 ( 1.181 -1.760 -1.358) 2.517 2.509 ( 1.188 2.088 -1.756) 2.976 2.581 ( -3.084 -1.372 -0.414) 3.401 2.646 ( 4.337 -2.443 2.082) 5.396 2.727 ( 0.588 -0.758 0.239) 0.988 2.906 ( -0.348 -0.022 -2.747) 2.769 3.011 ( -0.819 0.573 -2.916) 3.082 3.105 ( -2.493 4.925 3.217) 6.389 3.152 ( 0.505 -0.941 2.459) 2.681 3.241 ( -4.585 5.367 5.678) 9.059 3.462 ( 0.425 1.362 -0.938) 1.708 3.535 ( 0.634 4.037 -2.123) 4.605 3.674 ( 0.588 -0.353 -1.170) 1.356 3.771 ( 1.642 -1.530 -0.187) 2.252 4.306 ( -0.527 3.483 2.530) 4.337 4.311 ( -0.862 7.864 2.178) 8.205 4.501 ( -2.120 3.755 4.329) 6.110 4.520 ( -0.522 -0.462 1.973) 2.093 4.649 ( -0.870 -3.257 -0.323) 3.387 4.721 ( 5.438 0.932 -2.729) 6.155 4.847 ( -0.441 -2.224 -0.862) 2.426 4.880 ( -1.012 -4.423 3.572) 5.775 4.953 ( 2.376 3.002 2.714) 4.693 5.079 ( 1.235 3.398 -3.827) 5.264 5.166 ( 2.492 1.492 -1.105) 3.107 5.333 ( 3.095 -2.977 -1.375) 4.509 5.365 ( 1.080 -2.192 -2.080) 3.209 5.421 ( -2.638 -0.541 1.061) 2.894 5.551 ( -0.008 0.725 1.688) 1.837 5.698 ( -3.044 -4.035 -1.307) 5.220 5.727 ( -0.620 0.326 -3.499) 3.568 5.851 ( -0.404 -1.503 -2.686) 3.104 5.961 ( -1.834 -0.552 -0.556) 1.994 5.986 ( 1.189 -0.505 0.700) 1.469 6.156 ( -0.422 0.762 0.200) 0.894 6.167 ( -0.201 0.307 -0.218) 0.428 6.213 ( 1.436 1.944 -0.121) 2.420 6.380 ( 2.201 -3.125 -2.041) 4.333 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -6.710 10.834 5.903) 14.044 1.331 ( -8.072 8.426 9.289) 14.914 1.588 ( 7.271 4.401 -2.216) 8.783 1.733 ( 3.023 0.167 3.979) 4.999 1.836 ( -1.146 -4.753 3.237) 5.864 1.990 ( 2.627 -4.374 -2.532) 5.695 2.117 ( -2.496 -1.530 -1.806) 3.440 2.156 ( -0.293 -0.575 2.270) 2.360 2.229 ( 1.856 -1.244 -3.106) 3.826 2.413 ( 2.078 -0.603 -0.081) 2.165 2.422 ( 0.854 3.503 1.890) 4.071 2.488 ( -3.638 1.198 1.838) 4.248 2.541 ( 0.242 -3.865 -4.350) 5.824 2.729 ( 1.946 -2.354 -1.376) 3.350 2.765 ( 4.214 0.863 4.293) 6.077 2.838 ( -6.020 5.649 3.468) 8.955 3.010 ( 0.877 -0.504 -0.129) 1.020 3.044 ( -0.818 3.479 -2.322) 4.262 3.169 ( -0.506 -2.702 -1.115) 2.967 3.206 ( -0.616 1.307 3.524) 3.809 3.405 ( -3.724 -1.411 0.318) 3.995 3.567 ( 0.508 3.272 -1.143) 3.503 3.692 ( 1.792 -0.020 -1.424) 2.288 3.786 ( -0.617 -2.891 0.314) 2.972 4.287 ( -1.456 6.049 0.361) 6.232 4.305 ( -0.139 4.796 3.460) 5.915 4.440 ( -3.179 5.809 -1.424) 6.774 4.533 ( 0.134 -2.864 8.679) 9.141 4.632 ( -0.887 -2.581 0.415) 2.760 4.814 ( 1.582 0.484 -2.375) 2.894 4.834 ( 1.153 0.353 -0.592) 1.344 4.899 ( 2.363 -3.600 1.319) 4.504 5.013 ( 3.798 3.040 0.620) 4.904 5.127 ( 3.794 4.560 -0.357) 5.943 5.230 ( 3.269 1.471 -0.317) 3.599 5.354 ( -1.773 -2.759 2.758) 4.285 5.373 ( 1.289 -2.240 -5.242) 5.845 5.402 ( 1.280 -0.689 -2.677) 3.047 5.557 ( 0.986 -0.099 -0.150) 1.002 5.628 ( -4.070 -4.404 0.976) 6.075 5.692 ( -1.706 -0.166 -5.039) 5.322 5.821 ( -2.120 -1.753 -3.679) 4.594 5.921 ( -1.795 0.697 -0.393) 1.965 6.001 ( -0.702 -1.368 0.697) 1.688 6.164 ( 1.603 0.832 0.396) 1.849 6.186 ( 2.255 0.072 0.742) 2.375 6.253 ( 2.174 2.346 0.198) 3.205 6.406 ( 0.755 -2.538 -0.993) 2.828 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.200 14.161 9.500) 17.054 1.215 ( -5.335 11.374 11.355) 16.934 1.709 ( 3.797 4.152 -1.893) 5.936 1.801 ( 1.318 -1.578 4.138) 4.621 1.842 ( 4.195 -3.837 -2.650) 6.272 1.989 ( -0.974 -1.563 -1.529) 2.394 2.087 ( -0.503 -5.126 -2.826) 5.875 2.151 ( -0.987 4.901 5.565) 7.480 2.251 ( 0.923 -1.589 -1.370) 2.292 2.374 ( -5.769 3.760 3.850) 7.889 2.398 ( -1.553 0.044 -1.305) 2.030 2.509 ( 2.557 -1.454 -0.415) 2.970 2.555 ( 1.989 0.181 -3.081) 3.672 2.709 ( -3.800 4.064 4.963) 7.456 2.780 ( 0.695 -0.309 0.148) 0.775 2.863 ( 3.538 -1.567 2.378) 4.542 2.988 ( -0.067 4.861 -1.243) 5.018 3.119 ( 3.095 -0.247 -1.455) 3.429 3.128 ( 0.293 -3.535 -3.390) 4.907 3.217 ( 0.851 -0.038 4.862) 4.936 3.332 ( -4.134 -2.987 0.852) 5.171 3.546 ( -2.192 0.982 -0.112) 2.404 3.699 ( -2.423 -2.662 0.725) 3.672 3.770 ( 0.775 -4.014 -2.714) 4.907 4.270 ( 0.111 5.448 -0.998) 5.540 4.313 ( -0.106 5.328 2.391) 5.841 4.390 ( -1.701 5.957 0.357) 6.205 4.551 ( -0.183 -1.515 7.915) 8.061 4.614 ( -1.140 -2.129 2.128) 3.219 4.796 ( -1.204 -2.639 2.041) 3.547 4.872 ( 1.742 1.954 -2.012) 3.302 4.951 ( 2.498 -0.683 -2.710) 3.749 5.084 ( 1.895 2.628 1.910) 3.761 5.203 ( 3.467 4.273 0.503) 5.526 5.246 ( -1.045 2.348 -2.860) 3.845 5.332 ( -0.069 -2.272 2.206) 3.168 5.405 ( 0.785 -0.356 -3.273) 3.384 5.427 ( 2.543 -3.831 -2.691) 5.327 5.543 ( -4.181 -2.396 0.655) 4.863 5.605 ( 4.160 -0.726 -4.313) 6.036 5.659 ( -0.331 -2.177 -4.218) 4.758 5.762 ( -2.923 -2.624 -3.591) 5.322 5.897 ( -0.506 1.345 -0.274) 1.463 5.972 ( -1.827 -0.849 -0.441) 2.062 6.207 ( 2.221 0.995 1.052) 2.651 6.241 ( 2.584 -0.043 1.993) 3.264 6.287 ( 1.079 2.165 0.305) 2.438 6.403 ( -0.887 -1.545 -0.106) 1.785 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.567 12.502 5.634) 13.725 1.449 ( 2.643 12.786 7.629) 15.122 1.679 ( -0.014 -7.167 3.173) 7.838 1.726 ( 1.597 -11.622 2.798) 12.060 1.886 ( 1.940 4.034 -1.285) 4.657 1.981 ( 1.187 -4.112 -4.596) 6.280 2.024 ( 0.394 2.671 -3.060) 4.081 2.094 ( -1.021 -4.366 -1.875) 4.860 2.267 ( -2.025 3.788 -0.319) 4.307 2.359 ( -1.356 -3.467 -0.992) 3.852 2.433 ( 1.604 3.222 -3.539) 5.047 2.493 ( 2.228 -2.372 -3.770) 4.980 2.645 ( -1.088 3.651 -0.306) 3.822 2.695 ( -1.257 -1.842 -0.258) 2.245 2.861 ( -4.193 12.550 7.205) 15.066 2.895 ( -2.300 3.046 1.944) 4.283 2.977 ( -3.886 -4.318 0.323) 5.818 3.065 ( -2.756 -4.524 -1.445) 5.491 3.178 ( 4.583 1.006 0.550) 4.724 3.239 ( 7.205 -1.978 -1.159) 7.561 3.326 ( 2.461 2.808 7.208) 8.118 3.416 ( -2.854 -5.929 3.769) 7.583 3.616 ( -2.542 1.079 2.347) 3.624 3.674 ( -0.729 -5.027 3.002) 5.900 4.381 ( -1.186 3.625 -0.554) 3.854 4.384 ( 1.949 3.473 -0.836) 4.069 4.478 ( -1.373 1.211 -0.614) 1.931 4.501 ( -0.773 -2.525 0.561) 2.700 4.626 ( 1.051 3.688 8.295) 9.139 4.724 ( -0.028 -4.296 6.916) 8.142 4.912 ( 0.102 2.109 -1.937) 2.865 4.958 ( -0.238 -1.550 -2.842) 3.246 5.112 ( -2.999 3.149 3.390) 5.514 5.202 ( -1.711 -5.372 4.705) 7.343 5.291 ( -1.500 3.454 -5.045) 6.295 5.347 ( -1.631 -2.147 -1.600) 3.135 5.377 ( 2.762 2.164 -2.102) 4.090 5.426 ( 0.353 -0.520 -1.949) 2.048 5.484 ( -1.272 2.229 -2.973) 3.927 5.574 ( -1.046 -5.007 -4.597) 6.877 5.678 ( 4.830 0.061 -7.658) 9.054 5.693 ( 3.553 -1.323 -6.735) 7.728 5.925 ( 0.719 0.914 -0.317) 1.205 5.938 ( -0.047 -0.448 -0.716) 0.846 6.262 ( 0.768 0.948 2.470) 2.754 6.276 ( 0.911 -0.500 2.820) 3.005 6.328 ( -1.068 1.723 0.354) 2.058 6.356 ( -1.488 -1.159 0.338) 1.917 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.255 12.246 4.606) 13.086 1.525 ( 3.706 11.301 6.818) 13.709 1.692 ( 0.813 -5.278 0.569) 5.370 1.743 ( -0.073 -8.552 1.192) 8.635 1.916 ( 1.506 0.091 -0.056) 1.510 1.971 ( -0.492 -4.336 -3.117) 5.363 2.039 ( 0.533 1.420 -1.295) 1.994 2.071 ( -1.977 -1.771 0.093) 2.656 2.218 ( -1.917 4.345 -3.280) 5.772 2.340 ( -0.361 -5.763 -2.452) 6.273 2.415 ( -3.004 4.600 -0.878) 5.564 2.515 ( 0.218 -3.992 -1.467) 4.258 2.610 ( -2.139 2.896 -0.646) 3.658 2.663 ( -1.701 -0.930 -1.220) 2.291 2.836 ( -1.588 6.428 2.714) 7.156 2.839 ( -1.361 4.120 3.071) 5.315 2.897 ( -3.441 -3.878 0.933) 5.268 3.000 ( -2.409 -5.549 -2.307) 6.474 3.235 ( 1.638 5.086 3.862) 6.593 3.356 ( 2.514 -5.188 -0.902) 5.835 3.426 ( 2.846 3.250 5.878) 7.295 3.438 ( 6.041 1.586 4.119) 7.481 3.602 ( 1.681 0.833 1.288) 2.276 3.681 ( 0.808 -7.191 3.323) 7.963 4.338 ( -2.107 4.343 -1.801) 5.152 4.407 ( -1.377 -1.570 0.131) 2.092 4.457 ( 1.656 4.630 0.343) 4.929 4.532 ( 2.394 -0.998 0.879) 2.739 4.657 ( 0.434 2.858 7.717) 8.240 4.733 ( -0.132 -3.434 5.741) 6.691 4.888 ( -2.244 0.050 -1.944) 2.970 4.912 ( -3.796 -1.294 -2.280) 4.613 5.067 ( -2.089 3.940 1.416) 4.679 5.173 ( -2.211 -5.725 2.105) 6.488 5.252 ( -1.352 3.409 -2.704) 4.556 5.311 ( -1.416 -2.380 0.170) 2.775 5.394 ( -2.172 2.939 -2.972) 4.710 5.413 ( 0.369 0.553 -1.132) 1.313 5.475 ( 0.753 0.513 -1.679) 1.910 5.555 ( 0.687 -5.093 -4.588) 6.889 5.753 ( 3.602 -0.030 -7.112) 7.972 5.763 ( 4.173 -0.947 -6.570) 7.841 5.950 ( 1.588 0.431 -0.554) 1.736 5.955 ( 2.274 -0.062 -0.799) 2.411 6.262 ( -1.480 0.972 3.077) 3.550 6.278 ( -1.916 -0.490 3.188) 3.751 6.297 ( -1.392 1.260 -0.228) 1.891 6.320 ( -1.964 -0.851 -0.461) 2.190 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.757 10.668 2.724) 11.149 1.600 ( 1.101 4.206 3.473) 5.565 1.690 ( -0.011 -3.294 1.082) 3.467 1.759 ( 1.800 -1.394 -1.728) 2.858 1.908 ( -2.434 3.218 -2.149) 4.572 1.981 ( -0.593 -4.915 1.878) 5.295 2.024 ( -0.608 -1.431 1.634) 2.256 2.039 ( -0.455 -2.373 2.248) 3.300 2.183 ( -1.078 3.111 -4.166) 5.310 2.295 ( -3.575 -4.360 -0.685) 5.680 2.379 ( 0.065 2.699 -2.459) 3.652 2.491 ( -1.475 -5.017 -1.006) 5.325 2.577 ( -1.154 2.873 0.090) 3.097 2.632 ( -0.987 -1.843 -2.785) 3.482 2.792 ( -1.162 2.321 0.476) 2.639 2.842 ( -0.128 -0.822 -0.643) 1.051 2.897 ( 2.022 1.124 3.532) 4.222 2.973 ( -0.097 -4.166 -1.630) 4.474 3.284 ( 2.879 6.614 4.636) 8.575 3.382 ( 1.325 -2.841 0.549) 3.182 3.439 ( -2.100 6.664 6.010) 9.216 3.544 ( 2.413 -1.739 4.616) 5.492 3.678 ( 4.426 0.912 0.116) 4.521 3.719 ( 2.639 -4.359 0.317) 5.106 4.307 ( -0.553 3.611 -0.543) 3.693 4.371 ( -1.605 -2.129 1.006) 2.849 4.509 ( 2.741 5.752 0.525) 6.394 4.579 ( 2.057 0.336 1.446) 2.537 4.666 ( -1.018 3.139 5.876) 6.739 4.753 ( 1.093 -5.047 4.571) 6.897 4.809 ( -5.228 -0.994 -0.748) 5.374 4.841 ( -2.259 -2.959 -2.355) 4.405 5.022 ( -2.903 4.514 0.725) 5.416 5.123 ( -2.679 -3.910 -0.963) 4.837 5.235 ( -0.369 2.564 -1.069) 2.803 5.298 ( -0.627 -3.166 -0.923) 3.357 5.345 ( -1.667 3.932 -1.867) 4.661 5.395 ( -0.857 -1.660 -1.113) 2.175 5.506 ( 2.143 1.830 0.291) 2.833 5.580 ( 2.230 -4.319 -1.957) 5.240 5.784 ( 0.997 0.579 -6.030) 6.139 5.807 ( 1.445 -1.456 -5.661) 6.021 5.989 ( 2.343 0.813 -0.709) 2.579 6.006 ( 2.803 -0.903 -0.826) 3.058 6.217 ( -3.226 0.690 1.500) 3.624 6.226 ( -2.981 0.112 1.288) 3.249 6.276 ( -1.198 0.332 0.471) 1.329 6.288 ( -1.219 -0.659 -0.450) 1.457 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 1.188 6.580 1.089) 6.775 1.563 ( -2.696 -3.857 0.709) 4.759 1.718 ( -0.905 5.086 -1.999) 5.539 1.754 ( -1.962 2.752 -0.240) 3.388 1.837 ( -3.840 3.116 2.075) 5.363 1.911 ( -5.930 -3.155 4.559) 8.118 2.036 ( 0.288 -4.641 2.325) 5.199 2.054 ( 1.265 -6.075 0.683) 6.242 2.183 ( 2.225 3.257 -3.279) 5.129 2.266 ( 1.253 -3.617 -0.324) 3.842 2.382 ( 1.171 4.001 -4.489) 6.126 2.483 ( 0.756 -3.543 -1.669) 3.988 2.561 ( -0.651 1.759 -0.205) 1.887 2.613 ( -0.372 -3.252 -3.586) 4.856 2.785 ( -0.387 3.778 2.353) 4.468 2.853 ( 1.260 -1.553 -1.357) 2.417 2.944 ( 2.222 -0.325 3.375) 4.054 2.987 ( 1.742 -3.445 -0.163) 3.864 3.365 ( 3.847 4.735 2.339) 6.534 3.391 ( -3.051 8.831 6.505) 11.384 3.419 ( 1.691 -0.930 1.912) 2.717 3.551 ( -1.602 -6.208 5.566) 8.490 3.723 ( -0.078 3.550 -2.458) 4.319 3.765 ( 1.691 -0.693 -3.075) 3.578 4.318 ( 1.217 2.409 1.971) 3.342 4.365 ( 0.878 -1.277 2.600) 3.027 4.542 ( 0.066 5.143 1.127) 5.266 4.609 ( 0.338 0.942 2.819) 2.992 4.654 ( -0.409 3.003 1.855) 3.553 4.707 ( -3.986 -0.633 -0.300) 4.047 4.780 ( -0.104 -4.045 1.196) 4.220 4.819 ( -0.204 -5.935 0.829) 5.996 4.974 ( -1.594 5.014 1.559) 5.488 5.081 ( -0.942 -4.173 -1.570) 4.557 5.215 ( -1.458 2.341 -2.620) 3.804 5.257 ( -2.243 -1.131 -4.473) 5.130 5.340 ( 0.639 2.766 1.818) 3.371 5.400 ( 0.943 -3.049 1.649) 3.593 5.551 ( 2.225 2.874 1.027) 3.777 5.626 ( 2.597 -3.952 -0.148) 4.731 5.772 ( -0.827 0.929 -5.675) 5.810 5.804 ( -0.281 -1.942 -4.658) 5.054 6.021 ( 0.489 0.705 -1.019) 1.332 6.034 ( -0.399 -0.532 -0.798) 1.039 6.169 ( -1.317 1.064 0.506) 1.767 6.189 ( -0.496 -0.858 0.058) 0.993 6.253 ( -1.218 0.466 -0.012) 1.305 6.268 ( -0.596 -1.020 -1.043) 1.576 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.758 4.002 1.180) 4.241 1.563 ( 3.582 -2.962 0.141) 4.651 1.629 ( -4.637 6.486 -1.342) 8.086 1.693 ( -4.302 0.193 -2.927) 5.207 1.771 ( -4.584 1.451 8.021) 9.351 1.813 ( -3.879 -2.643 4.463) 6.476 2.065 ( 2.235 -3.716 -1.150) 4.487 2.078 ( 1.182 -5.412 1.852) 5.841 2.232 ( 2.555 3.840 -3.751) 5.945 2.314 ( 3.153 -3.688 -2.509) 5.462 2.406 ( 1.700 4.619 -3.565) 6.078 2.508 ( 1.578 -4.768 -1.839) 5.349 2.546 ( -0.076 2.620 -0.956) 2.790 2.602 ( -0.137 -2.803 -2.393) 3.688 2.773 ( -1.266 5.119 3.111) 6.122 2.868 ( 0.113 -3.271 -0.665) 3.340 3.002 ( 2.910 -0.005 1.595) 3.319 3.030 ( 2.333 -2.383 -0.048) 3.336 3.308 ( -4.878 6.426 5.837) 9.958 3.403 ( -4.436 -1.944 5.722) 7.497 3.476 ( 4.890 5.040 2.120) 7.335 3.572 ( 3.355 -4.517 3.514) 6.633 3.678 ( -3.255 5.939 -3.338) 7.550 3.760 ( -1.211 -1.661 -4.003) 4.500 4.351 ( 1.407 2.948 3.248) 4.606 4.405 ( 1.775 -0.459 2.580) 3.165 4.525 ( -1.728 3.419 3.929) 5.488 4.598 ( -1.462 -2.300 1.942) 3.346 4.656 ( 0.396 4.319 -0.414) 4.357 4.672 ( 0.116 3.790 -0.450) 3.819 4.769 ( -0.391 -5.119 -0.228) 5.139 4.801 ( -1.905 -6.715 1.307) 7.101 4.983 ( 1.877 5.244 2.551) 6.127 5.087 ( 1.298 -3.732 -2.022) 4.439 5.181 ( -0.881 2.018 -3.116) 3.815 5.224 ( 0.264 -2.117 -2.602) 3.364 5.360 ( 0.778 2.731 1.867) 3.398 5.417 ( 0.160 -2.576 1.807) 3.151 5.582 ( 0.321 3.018 1.122) 3.236 5.658 ( -0.290 -4.464 0.724) 4.532 5.751 ( 0.583 2.003 -5.795) 6.159 5.798 ( 0.844 -2.628 -4.073) 4.920 5.992 ( -2.251 0.665 -1.193) 2.633 6.003 ( -2.045 -0.465 -1.328) 2.483 6.171 ( 0.577 1.202 0.479) 1.417 6.187 ( -0.596 -0.384 0.139) 0.722 6.235 ( -0.125 1.367 -0.557) 1.481 6.275 ( 1.766 -2.634 -1.616) 3.559 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -4.237 7.127 1.992) 8.527 1.543 ( -2.957 0.340 1.293) 3.245 1.619 ( -0.442 5.800 0.929) 5.890 1.710 ( 0.405 0.719 3.765) 3.855 1.728 ( 5.984 -4.780 -0.189) 7.661 1.761 ( -2.875 -4.480 5.291) 7.506 2.099 ( 1.761 -1.828 -0.249) 2.550 2.121 ( 2.863 -3.561 -2.434) 5.177 2.247 ( -0.342 5.139 -2.754) 5.840 2.359 ( 1.769 -5.147 -3.801) 6.638 2.417 ( -0.017 3.068 -2.517) 3.968 2.487 ( -1.685 -3.494 -5.098) 6.407 2.598 ( 1.225 1.752 0.675) 2.242 2.611 ( 4.017 -0.595 1.020) 4.187 2.763 ( 0.022 4.391 2.045) 4.844 2.860 ( -0.250 -4.191 -0.499) 4.228 3.029 ( -0.371 1.183 -2.056) 2.401 3.069 ( 1.346 -3.159 -0.819) 3.530 3.233 ( -4.156 5.316 6.096) 9.094 3.311 ( -5.261 -1.436 6.629) 8.584 3.530 ( -1.833 6.525 3.288) 7.533 3.605 ( -0.623 0.970 -1.209) 1.670 3.660 ( 2.393 0.542 1.913) 3.112 3.729 ( -0.815 -3.620 -0.653) 3.768 4.369 ( -0.282 3.089 1.749) 3.561 4.412 ( -1.373 0.203 0.090) 1.391 4.511 ( -0.439 3.271 6.804) 7.562 4.582 ( -0.507 -3.326 2.666) 4.293 4.622 ( -2.761 6.132 -1.523) 6.895 4.738 ( 4.614 0.330 1.845) 4.980 4.758 ( -0.702 -5.268 -1.004) 5.409 4.797 ( 2.531 -3.468 -0.224) 4.299 5.031 ( 2.335 4.513 0.800) 5.144 5.110 ( 2.049 -2.218 -2.882) 4.174 5.188 ( 2.259 2.746 -1.513) 3.864 5.262 ( 3.165 -3.960 -0.485) 5.093 5.371 ( -0.019 2.331 0.398) 2.364 5.411 ( -0.772 -1.137 0.154) 1.383 5.569 ( -1.469 1.447 0.882) 2.243 5.618 ( -3.133 -3.514 -0.467) 4.730 5.754 ( -0.351 2.117 -5.430) 5.839 5.805 ( -0.087 -2.841 -4.599) 5.406 5.960 ( -1.055 0.472 -0.203) 1.173 5.974 ( -0.116 -0.745 -0.057) 0.756 6.168 ( -0.492 0.357 0.008) 0.608 6.170 ( -0.465 0.068 -0.132) 0.488 6.259 ( 2.247 2.673 -0.209) 3.499 6.317 ( 2.374 -3.138 -0.919) 4.040 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -2.081 11.049 4.214) 12.007 1.494 ( -3.324 5.331 4.740) 7.870 1.620 ( 1.158 -1.740 2.818) 3.509 1.714 ( -2.519 -6.358 6.232) 9.252 1.757 ( 3.713 3.139 -0.220) 4.867 1.861 ( 6.003 -6.627 -3.382) 9.560 2.116 ( -1.199 1.123 -3.026) 3.444 2.159 ( 1.020 -2.089 -2.174) 3.183 2.237 ( 0.897 5.122 0.252) 5.206 2.369 ( 0.508 -5.292 -2.572) 5.906 2.402 ( -0.512 0.150 -3.323) 3.366 2.453 ( -0.222 -3.662 -6.365) 7.347 2.625 ( 1.499 6.185 2.797) 6.952 2.689 ( 2.460 -1.587 0.199) 2.934 2.795 ( 3.130 3.052 2.109) 4.854 2.886 ( 3.681 -4.048 -0.277) 5.478 2.999 ( -1.571 3.256 -1.977) 4.121 3.078 ( 0.289 -4.505 -2.235) 5.037 3.154 ( -5.337 5.885 5.494) 9.659 3.238 ( -3.818 -1.531 5.341) 6.741 3.451 ( -5.320 6.746 3.253) 9.186 3.578 ( -3.071 -3.121 0.410) 4.398 3.689 ( 0.012 0.062 2.680) 2.680 3.719 ( -1.245 -3.315 2.865) 4.555 4.356 ( -0.958 2.388 0.582) 2.637 4.381 ( -0.723 0.526 -0.992) 1.336 4.530 ( 0.523 2.720 6.678) 7.229 4.564 ( -2.615 6.084 -0.022) 6.622 4.586 ( -0.296 -1.349 2.783) 3.107 4.717 ( -1.796 -7.407 3.514) 8.393 4.855 ( 3.275 0.258 -1.424) 3.581 4.862 ( 5.250 -0.424 -1.569) 5.496 5.086 ( 3.552 4.094 -0.376) 5.433 5.167 ( 3.817 -2.999 -0.549) 4.885 5.248 ( 3.399 3.079 -0.345) 4.599 5.315 ( 2.286 -2.789 0.153) 3.610 5.362 ( -0.531 2.513 -3.224) 4.122 5.400 ( 0.149 -0.632 -3.211) 3.275 5.545 ( -0.651 -0.786 0.214) 1.043 5.555 ( -2.912 -2.367 -0.388) 3.773 5.709 ( -2.618 1.950 -5.836) 6.688 5.765 ( -2.712 -3.374 -5.311) 6.852 5.944 ( -0.907 1.467 0.025) 1.725 5.974 ( -0.675 -1.473 0.341) 1.655 6.179 ( 1.789 0.600 0.708) 2.015 6.186 ( 2.053 -0.136 0.780) 2.200 6.302 ( 2.003 2.587 0.133) 3.274 6.354 ( 1.502 -2.645 -0.246) 3.052 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 1.588 13.393 6.004) 14.763 1.444 ( -2.402 10.721 6.735) 12.887 1.672 ( 2.723 -10.046 3.988) 11.146 1.685 ( -1.204 -8.037 3.910) 9.018 1.833 ( 3.830 5.491 -1.923) 6.966 1.942 ( 3.409 -4.812 -4.689) 7.534 2.057 ( -2.808 2.555 -3.037) 4.862 2.134 ( -2.399 -4.476 -1.981) 5.451 2.274 ( 1.368 4.431 1.188) 4.787 2.380 ( -0.132 -5.159 -0.212) 5.165 2.400 ( 1.748 2.604 -4.992) 5.895 2.458 ( 1.897 -2.963 -5.957) 6.919 2.650 ( 0.455 5.093 1.410) 5.304 2.708 ( -0.043 -2.000 0.113) 2.003 2.874 ( 3.184 3.851 2.347) 5.520 2.948 ( -2.415 12.356 4.231) 13.282 2.996 ( 2.656 -6.549 1.176) 7.164 3.071 ( -1.095 0.819 -1.413) 1.966 3.098 ( 2.853 -0.778 -1.748) 3.435 3.181 ( -2.542 -5.277 3.993) 7.089 3.355 ( -4.944 5.461 4.557) 8.662 3.494 ( -5.207 -6.606 2.520) 8.781 3.667 ( -2.777 -0.159 3.114) 4.176 3.692 ( -1.571 -2.802 2.477) 4.057 4.352 ( 0.842 3.306 -0.388) 3.433 4.385 ( 0.731 0.846 -0.100) 1.122 4.506 ( -2.187 3.505 -1.360) 4.349 4.544 ( -1.891 0.180 2.186) 2.896 4.590 ( 0.655 2.484 6.863) 7.328 4.709 ( -0.088 -6.240 6.409) 8.945 4.898 ( 1.666 1.993 -1.625) 3.064 4.937 ( 2.758 -1.279 -2.630) 4.019 5.139 ( 0.459 3.133 3.164) 4.476 5.215 ( 0.030 -3.980 4.554) 6.048 5.304 ( 2.492 3.657 -2.963) 5.325 5.340 ( -0.208 3.336 -5.174) 6.160 5.366 ( 1.858 -2.647 -3.098) 4.479 5.398 ( 1.087 -1.493 -3.526) 3.981 5.515 ( -1.154 0.693 -0.870) 1.602 5.563 ( 2.503 -2.969 -2.693) 4.726 5.651 ( -1.225 1.188 -6.541) 6.760 5.698 ( -2.426 -3.314 -5.714) 7.036 5.926 ( -0.672 1.483 -0.323) 1.659 5.952 ( -1.152 -1.163 -0.330) 1.670 6.226 ( 2.329 0.821 1.735) 3.018 6.238 ( 2.459 -0.333 2.029) 3.205 6.330 ( 0.698 2.154 0.379) 2.296 6.370 ( 0.056 -1.857 0.265) 1.876 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 4.320 0.000 15.641) 16.226 1.238 ( -1.673 0.000 15.855) 15.943 1.494 ( -2.738 0.000 -11.195) 11.525 1.566 ( 0.534 0.000 -12.407) 12.419 2.045 ( -5.813 0.000 11.645) 13.016 2.076 ( -0.162 0.000 5.509) 5.512 2.205 ( 7.261 0.000 -1.189) 7.358 2.229 ( -0.296 0.000 0.735) 0.792 2.287 ( -0.851 0.000 0.305) 0.904 2.291 ( 1.640 0.000 0.376) 1.683 2.448 ( -1.432 0.000 1.655) 2.189 2.546 ( 1.466 0.000 -1.616) 2.182 2.593 ( -1.008 0.000 3.291) 3.442 2.712 ( -2.200 0.000 -3.815) 4.404 2.724 ( 3.721 0.000 -0.512) 3.757 2.725 ( -1.122 0.000 -4.011) 4.165 3.121 ( 0.531 0.000 1.339) 1.440 3.126 ( -1.959 0.000 0.711) 2.084 3.198 ( 3.470 0.000 0.465) 3.501 3.222 ( -0.825 0.000 -0.660) 1.057 3.425 ( -1.390 0.000 4.733) 4.933 3.492 ( 2.588 0.000 0.571) 2.650 3.598 ( -6.187 0.000 -4.293) 7.530 3.660 ( 3.369 0.000 -10.636) 11.157 4.181 ( -2.549 0.000 1.297) 2.860 4.211 ( 3.306 0.000 -1.148) 3.499 4.280 ( -0.187 0.000 6.889) 6.892 4.428 ( 0.402 0.000 -6.877) 6.889 4.715 ( -3.303 0.000 6.382) 7.186 4.817 ( 1.600 0.000 -4.005) 4.313 4.887 ( 0.673 0.000 5.118) 5.163 4.960 ( 3.905 0.000 -2.028) 4.400 5.077 ( -2.749 0.000 3.796) 4.687 5.184 ( -1.309 0.000 -6.346) 6.480 5.184 ( -0.568 0.000 4.495) 4.531 5.264 ( -0.300 0.000 -2.530) 2.548 5.436 ( -1.119 0.000 2.632) 2.859 5.506 ( -0.892 0.000 -3.633) 3.741 5.670 ( 2.447 0.000 2.607) 3.575 5.694 ( 0.764 0.000 2.372) 2.492 5.738 ( -0.589 0.000 -0.542) 0.801 5.749 ( 2.759 0.000 -3.167) 4.200 5.872 ( 1.507 0.000 -0.075) 1.509 5.888 ( -2.888 0.000 -1.635) 3.319 6.217 ( 1.364 0.000 0.020) 1.364 6.220 ( -1.026 0.000 -0.243) 1.054 6.346 ( 1.840 0.000 2.126) 2.812 6.378 ( -2.464 0.000 -0.880) 2.617 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.593 0.000 13.772) 13.864 1.254 ( -0.678 0.000 3.239) 3.309 1.419 ( -0.708 0.000 0.105) 0.715 1.589 ( 4.224 0.000 -13.056) 13.722 2.000 ( -1.114 0.000 7.818) 7.897 2.077 ( -0.662 0.000 4.556) 4.604 2.256 ( 3.404 0.000 -7.624) 8.350 2.272 ( -0.485 0.000 0.783) 0.921 2.291 ( 1.181 0.000 -0.648) 1.347 2.355 ( 3.266 0.000 3.316) 4.654 2.438 ( -0.168 0.000 6.601) 6.603 2.549 ( -1.285 0.000 -0.740) 1.483 2.581 ( -0.949 0.000 5.981) 6.056 2.663 ( -1.697 0.000 -4.326) 4.647 2.738 ( 2.970 0.000 -2.620) 3.961 2.815 ( 5.393 0.000 -1.751) 5.670 3.073 ( -2.804 0.000 -0.003) 2.804 3.123 ( -0.808 0.000 2.146) 2.293 3.195 ( -0.284 0.000 -6.935) 6.941 3.223 ( -0.972 0.000 0.557) 1.121 3.366 ( -6.596 0.000 8.389) 10.672 3.478 ( -3.334 0.000 -4.198) 5.361 3.514 ( -0.962 0.000 -4.857) 4.951 3.726 ( 4.367 0.000 -3.393) 5.531 4.148 ( -0.909 0.000 1.249) 1.544 4.281 ( 3.306 0.000 0.853) 3.414 4.293 ( 0.752 0.000 3.476) 3.557 4.431 ( 1.379 0.000 -7.211) 7.341 4.658 ( -3.947 0.000 7.438) 8.420 4.834 ( 0.927 0.000 -3.291) 3.419 4.905 ( 0.851 0.000 0.749) 1.133 5.000 ( 0.310 0.000 -6.150) 6.158 5.049 ( -1.037 0.000 7.425) 7.497 5.156 ( -0.976 0.000 -1.964) 2.193 5.156 ( -3.192 0.000 5.301) 6.187 5.246 ( -0.058 0.000 -2.334) 2.335 5.390 ( -4.176 0.000 3.456) 5.421 5.481 ( -0.419 0.000 -2.118) 2.159 5.696 ( -0.447 0.000 1.032) 1.124 5.705 ( -2.288 0.000 -2.701) 3.540 5.736 ( 3.005 0.000 -0.257) 3.016 5.834 ( 6.119 0.000 -4.739) 7.739 5.861 ( 0.284 0.000 -0.150) 0.322 5.925 ( 3.549 0.000 1.149) 3.730 6.187 ( -2.160 0.000 -0.622) 2.248 6.231 ( 0.065 0.000 -0.169) 0.181 6.318 ( -3.522 0.000 -0.714) 3.593 6.369 ( -0.010 0.000 2.587) 2.587 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.018 0.000 -6.293) 6.293 1.231 ( 0.550 0.000 7.115) 7.136 1.496 ( 5.382 0.000 10.273) 11.597 1.653 ( 4.011 0.000 -11.151) 11.850 2.001 ( -0.414 0.000 4.599) 4.618 2.065 ( -2.095 0.000 6.049) 6.401 2.250 ( -0.708 0.000 -2.095) 2.212 2.271 ( -4.624 0.000 -0.606) 4.664 2.343 ( -2.502 0.000 3.053) 3.947 2.348 ( 6.827 0.000 -11.731) 13.573 2.462 ( 1.009 0.000 6.248) 6.329 2.553 ( 2.267 0.000 1.241) 2.584 2.588 ( 0.090 0.000 10.064) 10.064 2.628 ( -1.422 0.000 -0.483) 1.502 2.799 ( 2.651 0.000 0.165) 2.656 2.903 ( 3.191 0.000 -2.943) 4.341 3.024 ( -2.463 0.000 1.447) 2.857 3.092 ( -2.492 0.000 0.412) 2.525 3.175 ( -3.487 0.000 1.073) 3.648 3.208 ( -1.239 0.000 -3.196) 3.428 3.243 ( -1.680 0.000 -4.781) 5.067 3.384 ( -5.002 0.000 -1.671) 5.274 3.523 ( 2.359 0.000 -2.740) 3.616 3.781 ( 1.134 0.000 -0.322) 1.179 4.156 ( 1.418 0.000 2.236) 2.648 4.295 ( -0.913 0.000 6.770) 6.831 4.358 ( 3.942 0.000 -3.345) 5.170 4.452 ( 2.235 0.000 -7.831) 8.144 4.604 ( -2.765 0.000 7.219) 7.731 4.836 ( -0.242 0.000 -3.054) 3.064 4.925 ( 1.042 0.000 -1.297) 1.664 4.969 ( -1.205 0.000 -6.936) 7.039 5.058 ( -0.506 0.000 10.019) 10.032 5.085 ( -4.659 0.000 4.463) 6.452 5.107 ( -3.584 0.000 -2.283) 4.249 5.264 ( 1.568 0.000 -2.760) 3.174 5.320 ( -2.635 0.000 3.814) 4.635 5.491 ( 1.653 0.000 -0.500) 1.727 5.644 ( -2.668 0.000 -4.364) 5.115 5.678 ( -1.660 0.000 1.207) 2.052 5.794 ( 2.961 0.000 -0.663) 3.034 5.877 ( 0.955 0.000 0.338) 1.013 5.939 ( 4.662 0.000 -4.277) 6.327 5.996 ( 2.881 0.000 1.589) 3.290 6.151 ( -0.358 0.000 -1.327) 1.375 6.221 ( -0.966 0.000 -0.480) 1.079 6.242 ( -3.936 0.000 -1.412) 4.182 6.357 ( -1.804 0.000 2.960) 3.466 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 4.276 0.000 -1.540) 4.545 1.310 ( 6.406 0.000 0.307) 6.414 1.592 ( 0.783 0.000 8.956) 8.990 1.670 ( -0.701 0.000 -7.422) 7.455 1.994 ( -5.960 0.000 7.241) 9.378 2.011 ( 1.287 0.000 1.000) 1.629 2.176 ( -2.222 0.000 2.007) 2.994 2.237 ( -0.232 0.000 -1.651) 1.668 2.347 ( 2.059 0.000 0.738) 2.187 2.443 ( 3.158 0.000 -6.025) 6.803 2.496 ( 2.263 0.000 -2.070) 3.066 2.544 ( -3.683 0.000 -1.803) 4.101 2.622 ( 1.421 0.000 8.072) 8.197 2.658 ( 3.361 0.000 4.130) 5.325 2.816 ( -1.725 0.000 5.770) 6.023 2.888 ( -2.505 0.000 -6.422) 6.893 2.973 ( -3.486 0.000 2.622) 4.362 3.058 ( -1.490 0.000 0.708) 1.650 3.122 ( -1.789 0.000 2.708) 3.246 3.127 ( -1.221 0.000 1.279) 1.768 3.289 ( -4.899 0.000 1.896) 5.253 3.307 ( 5.236 0.000 -14.769) 15.670 3.593 ( 5.173 0.000 -1.970) 5.536 3.763 ( -2.817 0.000 0.179) 2.823 4.204 ( 2.658 0.000 3.536) 4.423 4.282 ( -1.631 0.000 6.770) 6.964 4.414 ( 2.155 0.000 -3.412) 4.035 4.481 ( 2.251 0.000 -8.344) 8.642 4.591 ( 0.188 0.000 6.741) 6.743 4.808 ( -1.855 0.000 -4.023) 4.430 4.921 ( -2.129 0.000 1.724) 2.740 4.950 ( 0.792 0.000 -5.919) 5.972 4.987 ( -4.113 0.000 2.399) 4.762 5.026 ( -3.807 0.000 -2.696) 4.664 5.085 ( 0.298 0.000 9.428) 9.433 5.276 ( 0.445 0.000 -4.550) 4.572 5.327 ( 2.371 0.000 3.835) 4.509 5.521 ( 0.303 0.000 -0.020) 0.304 5.602 ( -0.038 0.000 -4.919) 4.919 5.639 ( -2.503 0.000 1.408) 2.872 5.843 ( 2.134 0.000 -0.508) 2.194 5.906 ( 2.380 0.000 1.264) 2.695 5.955 ( -2.226 0.000 -1.889) 2.919 6.037 ( 1.275 0.000 1.107) 1.688 6.152 ( -2.675 0.000 0.137) 2.678 6.194 ( -1.603 0.000 -0.718) 1.757 6.215 ( 4.545 0.000 -4.713) 6.548 6.312 ( -3.354 0.000 2.879) 4.420 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.096 0.000 3.592) 3.594 1.384 ( -2.676 0.000 -1.952) 3.312 1.554 ( -3.704 0.000 5.590) 6.706 1.667 ( 4.959 0.000 -4.895) 6.968 1.942 ( -0.427 0.000 6.362) 6.376 2.049 ( 2.413 0.000 -2.512) 3.483 2.177 ( 0.418 0.000 3.991) 4.012 2.232 ( -0.150 0.000 -1.153) 1.162 2.420 ( -1.856 0.000 0.764) 2.007 2.430 ( -3.030 0.000 1.026) 3.199 2.444 ( 0.656 0.000 1.768) 1.886 2.505 ( -0.998 0.000 -6.071) 6.153 2.657 ( 0.952 0.000 4.263) 4.368 2.689 ( -1.509 0.000 3.690) 3.986 2.784 ( -0.849 0.000 2.046) 2.215 2.893 ( 3.409 0.000 -4.909) 5.977 2.952 ( 0.854 0.000 5.190) 5.260 3.020 ( -0.651 0.000 -1.456) 1.595 3.102 ( -2.263 0.000 5.296) 5.759 3.151 ( 2.509 0.000 -2.276) 3.387 3.203 ( -3.694 0.000 0.470) 3.724 3.364 ( 3.386 0.000 -10.720) 11.242 3.683 ( -5.016 0.000 -0.562) 5.047 3.699 ( 5.602 0.000 -1.922) 5.923 4.259 ( 1.822 0.000 4.271) 4.643 4.262 ( -1.869 0.000 6.556) 6.817 4.412 ( -1.800 0.000 -2.604) 3.166 4.499 ( 1.076 0.000 -8.350) 8.419 4.639 ( 3.198 0.000 6.260) 7.029 4.757 ( -2.152 0.000 -5.450) 5.860 4.858 ( -3.795 0.000 5.673) 6.825 4.955 ( 0.117 0.000 0.288) 0.311 4.962 ( -2.270 0.000 -1.988) 3.018 4.981 ( 3.462 0.000 -4.666) 5.810 5.112 ( 0.554 0.000 8.893) 8.910 5.269 ( 0.073 0.000 -5.856) 5.857 5.404 ( 4.250 0.000 3.181) 5.309 5.488 ( -2.559 0.000 -3.634) 4.444 5.591 ( -2.724 0.000 1.567) 3.143 5.625 ( 2.226 0.000 -2.505) 3.351 5.880 ( 1.795 0.000 0.762) 1.950 5.892 ( -3.313 0.000 -0.476) 3.347 5.974 ( 3.876 0.000 2.096) 4.406 6.015 ( -3.275 0.000 -1.662) 3.673 6.135 ( 1.110 0.000 1.463) 1.836 6.159 ( -1.765 0.000 -0.599) 1.864 6.241 ( -4.300 0.000 1.987) 4.737 6.307 ( 4.958 0.000 -4.214) 6.507 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -10.477 0.000 1.579) 10.595 1.298 ( -0.753 0.000 1.401) 1.591 1.509 ( -3.677 0.000 7.542) 8.391 1.763 ( 1.906 0.000 -6.789) 7.051 1.982 ( 2.999 0.000 3.447) 4.569 2.113 ( 5.980 0.000 -2.471) 6.471 2.177 ( -2.313 0.000 6.938) 7.313 2.220 ( -0.706 0.000 -1.907) 2.033 2.284 ( -5.910 0.000 2.356) 6.362 2.389 ( -0.244 0.000 -2.091) 2.105 2.458 ( -3.443 0.000 5.761) 6.712 2.534 ( 1.295 0.000 -1.321) 1.849 2.678 ( 0.158 0.000 0.426) 0.454 2.710 ( 5.043 0.000 3.361) 6.060 2.784 ( 0.608 0.000 -1.420) 1.545 2.874 ( -3.931 0.000 -0.488) 3.961 2.981 ( 0.042 0.000 6.831) 6.831 3.016 ( -4.276 0.000 9.366) 10.296 3.085 ( 1.417 0.000 -5.414) 5.597 3.195 ( 2.446 0.000 -3.841) 4.553 3.210 ( 6.537 0.000 -5.068) 8.271 3.403 ( 2.468 0.000 -7.087) 7.505 3.584 ( -4.394 0.000 -1.792) 4.745 3.785 ( 3.237 0.000 -1.834) 3.721 4.233 ( -2.304 0.000 4.162) 4.757 4.284 ( -0.182 0.000 4.297) 4.301 4.350 ( -3.731 0.000 1.045) 3.875 4.488 ( -0.351 0.000 -8.139) 8.147 4.720 ( -0.128 0.000 -5.960) 5.961 4.722 ( 3.735 0.000 4.972) 6.219 4.817 ( -1.822 0.000 6.090) 6.357 4.926 ( -1.402 0.000 -0.504) 1.490 4.985 ( 2.677 0.000 1.751) 3.199 5.060 ( 5.304 0.000 -3.669) 6.450 5.141 ( 0.751 0.000 7.946) 7.981 5.262 ( 0.555 0.000 -6.981) 7.003 5.432 ( -1.712 0.000 -5.343) 5.610 5.486 ( 3.316 0.000 2.525) 4.168 5.539 ( -2.820 0.000 1.774) 3.332 5.662 ( 1.919 0.000 -1.372) 2.360 5.839 ( -2.111 0.000 -0.001) 2.111 5.902 ( -0.800 0.000 3.205) 3.303 5.942 ( -3.418 0.000 -2.048) 3.984 6.042 ( 1.959 0.000 0.898) 2.155 6.138 ( -0.191 0.000 1.160) 1.175 6.169 ( -2.115 0.000 -0.277) 2.134 6.170 ( 1.819 0.000 1.472) 2.339 6.379 ( 3.221 0.000 -3.572) 4.810 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -5.889 0.000 8.062) 9.984 1.339 ( 2.866 0.000 1.107) 3.072 1.431 ( -3.740 0.000 5.758) 6.866 1.704 ( -4.313 0.000 -8.789) 9.790 2.046 ( 2.542 0.000 1.440) 2.922 2.110 ( -4.334 0.000 8.674) 9.696 2.187 ( -0.656 0.000 -4.614) 4.661 2.246 ( 0.427 0.000 -0.774) 0.884 2.253 ( 4.805 0.000 0.896) 4.888 2.365 ( -5.180 0.000 15.912) 16.734 2.437 ( 1.967 0.000 -3.169) 3.730 2.522 ( -0.746 0.000 -0.809) 1.101 2.649 ( -2.813 0.000 -0.066) 2.814 2.767 ( 0.479 0.000 -5.900) 5.920 2.771 ( -5.836 0.000 1.302) 5.979 2.835 ( 1.102 0.000 2.732) 2.946 3.003 ( 2.859 0.000 7.877) 8.379 3.005 ( 2.348 0.000 4.823) 5.364 3.086 ( 0.708 0.000 -4.397) 4.453 3.225 ( 1.207 0.000 -3.185) 3.407 3.349 ( 5.880 0.000 -2.337) 6.327 3.430 ( 1.365 0.000 -4.660) 4.856 3.539 ( 1.635 0.000 -6.462) 6.665 3.802 ( -1.253 0.000 -2.236) 2.563 4.191 ( -2.101 0.000 0.520) 2.165 4.270 ( -1.870 0.000 3.657) 4.107 4.296 ( -2.397 0.000 5.741) 6.221 4.462 ( -0.559 0.000 -7.723) 7.744 4.732 ( 2.455 0.000 -5.486) 6.010 4.781 ( 0.441 0.000 2.261) 2.304 4.811 ( 0.599 0.000 8.337) 8.359 4.901 ( -0.953 0.000 0.060) 0.955 5.056 ( 3.732 0.000 2.763) 4.643 5.161 ( 5.398 0.000 -2.933) 6.143 5.165 ( -0.012 0.000 6.085) 6.085 5.255 ( -0.135 0.000 -7.923) 7.924 5.422 ( 2.088 0.000 -5.336) 5.730 5.477 ( -2.493 0.000 1.017) 2.692 5.563 ( 3.194 0.000 3.357) 4.634 5.688 ( 0.730 0.000 -0.229) 0.766 5.799 ( -2.253 0.000 -0.936) 2.439 5.843 ( -5.490 0.000 4.591) 7.156 5.889 ( -1.645 0.000 -0.837) 1.846 6.032 ( -2.721 0.000 -1.351) 3.038 6.136 ( 1.501 0.000 0.117) 1.505 6.205 ( 1.455 0.000 0.938) 1.731 6.213 ( 4.046 0.000 1.419) 4.288 6.416 ( 1.172 0.000 -2.766) 3.004 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.085 0.000 13.967) 14.304 1.285 ( -6.117 0.000 16.184) 17.301 1.492 ( 5.398 0.000 -10.946) 12.205 1.612 ( -2.730 0.000 -10.628) 10.973 2.066 ( -0.775 0.000 9.107) 9.140 2.104 ( 3.014 0.000 -2.457) 3.888 2.141 ( -4.157 0.000 2.657) 4.934 2.264 ( 1.303 0.000 -0.694) 1.476 2.272 ( -5.573 0.000 16.636) 17.545 2.302 ( -0.324 0.000 -2.432) 2.453 2.465 ( 0.397 0.000 -1.998) 2.037 2.522 ( 0.877 0.000 -0.633) 1.081 2.605 ( -1.224 0.000 1.866) 2.232 2.698 ( -1.392 0.000 0.605) 1.518 2.752 ( -0.789 0.000 -5.684) 5.738 2.786 ( -4.096 0.000 -0.821) 4.177 3.093 ( 4.276 0.000 -2.585) 4.997 3.105 ( 3.899 0.000 5.235) 6.527 3.108 ( 2.846 0.000 2.062) 3.514 3.229 ( -0.168 0.000 -0.612) 0.635 3.422 ( 3.172 0.000 2.429) 3.995 3.435 ( -0.107 0.000 -1.580) 1.584 3.606 ( 5.182 0.000 -12.080) 13.144 3.728 ( -5.604 0.000 -2.905) 6.312 4.173 ( 0.548 0.000 -0.495) 0.738 4.231 ( -2.711 0.000 2.320) 3.568 4.277 ( -1.020 0.000 7.093) 7.166 4.440 ( -0.182 0.000 -7.064) 7.067 4.760 ( -2.386 0.000 4.647) 5.223 4.781 ( 3.070 0.000 -4.779) 5.681 4.854 ( 1.460 0.000 6.844) 6.998 4.902 ( 1.528 0.000 -0.343) 1.566 5.111 ( 0.002 0.000 2.949) 2.949 5.168 ( 0.250 0.000 4.422) 4.429 5.222 ( -0.717 0.000 -7.830) 7.862 5.245 ( 2.724 0.000 -3.103) 4.129 5.446 ( -0.921 0.000 1.037) 1.387 5.481 ( 4.119 0.000 -4.975) 6.459 5.636 ( 3.555 0.000 3.691) 5.124 5.675 ( -2.543 0.000 2.880) 3.842 5.754 ( -1.718 0.000 -1.708) 2.423 5.758 ( -2.595 0.000 2.186) 3.393 5.867 ( -0.600 0.000 -0.469) 0.761 5.961 ( -3.844 0.000 -1.899) 4.288 6.180 ( 2.404 0.000 0.018) 2.404 6.226 ( 0.427 0.000 0.285) 0.514 6.291 ( 3.423 0.000 1.828) 3.880 6.414 ( -0.869 0.000 -1.760) 1.963 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 3.727 5.429 13.396) 14.927 1.293 ( -1.502 5.082 14.124) 15.085 1.514 ( -2.606 2.528 -8.961) 9.668 1.616 ( 1.109 4.175 -12.370) 13.103 2.005 ( -0.615 -1.702 6.028) 6.294 2.088 ( 0.366 -3.517 -1.766) 3.953 2.204 ( -1.865 2.970 4.822) 5.962 2.215 ( 3.128 -4.190 2.207) 5.676 2.265 ( -2.139 -1.393 1.721) 3.079 2.313 ( 1.603 2.651 1.792) 3.579 2.419 ( -1.096 -2.309 2.854) 3.831 2.514 ( -0.275 -2.553 -1.993) 3.250 2.592 ( 1.099 -0.503 2.265) 2.568 2.689 ( -0.228 -1.040 -4.929) 5.043 2.735 ( 0.221 2.206 1.296) 2.567 2.798 ( 0.420 5.370 -3.336) 6.336 3.073 ( 0.443 -3.458 2.973) 4.582 3.104 ( -1.373 -2.486 -0.875) 2.972 3.189 ( 4.345 -0.236 0.494) 4.379 3.245 ( -3.081 -0.024 -4.020) 5.065 3.422 ( 2.391 0.406 7.015) 7.422 3.499 ( -1.357 0.628 0.516) 1.581 3.599 ( -5.524 0.549 -2.252) 5.991 3.692 ( 4.003 2.231 -9.330) 10.395 4.180 ( -1.443 1.742 1.187) 2.554 4.211 ( 1.973 1.084 -1.706) 2.825 4.370 ( -1.033 6.618 6.856) 9.585 4.516 ( 0.664 5.990 -6.673) 8.992 4.714 ( -2.409 0.670 5.575) 6.110 4.804 ( 1.584 -1.032 -3.499) 3.977 4.882 ( 0.923 -0.603 4.882) 5.005 4.949 ( 2.337 -0.875 -1.626) 2.978 5.073 ( -2.183 0.016 2.188) 3.091 5.142 ( -1.159 -1.603 -1.882) 2.731 5.239 ( -1.427 2.782 -0.079) 3.128 5.277 ( 0.363 1.452 -0.731) 1.666 5.424 ( -0.524 -1.249 2.011) 2.424 5.494 ( -1.496 -1.206 -3.613) 4.093 5.637 ( 2.284 -3.197 2.364) 4.586 5.641 ( 1.888 -4.602 2.488) 5.562 5.700 ( -0.644 -3.813 -3.073) 4.939 5.709 ( 1.356 -3.464 -2.500) 4.482 5.885 ( 1.574 1.125 0.340) 1.964 5.903 ( -2.074 1.098 -1.398) 2.732 6.232 ( 0.914 1.444 0.466) 1.771 6.241 ( -0.602 1.779 -0.437) 1.928 6.345 ( 1.739 -0.139 2.146) 2.766 6.376 ( -2.295 -0.182 -0.850) 2.454 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -2.395 4.518 8.846) 10.217 1.317 ( 0.763 5.548 6.818) 8.823 1.459 ( -0.072 3.929 -0.640) 3.981 1.628 ( 3.206 3.727 -12.282) 13.229 1.996 ( -0.843 -0.996 4.055) 4.259 2.076 ( -1.206 -1.005 2.042) 2.576 2.186 ( 0.918 -3.464 -3.290) 4.865 2.231 ( -1.403 -3.306 0.240) 3.599 2.312 ( 3.723 -3.797 3.713) 6.485 2.357 ( 0.238 1.613 -2.325) 2.839 2.413 ( 1.537 0.212 7.701) 7.856 2.500 ( -1.021 -3.264 1.815) 3.871 2.601 ( -0.956 0.199 3.251) 3.394 2.654 ( -1.863 -1.644 -5.303) 5.856 2.780 ( 3.131 4.177 0.532) 5.247 2.839 ( 3.691 2.104 -1.196) 4.414 3.044 ( -3.689 -2.210 1.512) 4.558 3.097 ( 0.903 -2.132 0.496) 2.368 3.158 ( -1.553 -2.143 -7.446) 7.902 3.269 ( 1.779 2.334 0.198) 2.941 3.400 ( -5.840 3.424 9.477) 11.646 3.435 ( -3.910 -1.660 -4.248) 6.007 3.563 ( 0.755 2.403 -2.717) 3.705 3.749 ( 3.451 1.948 -4.442) 5.952 4.167 ( 0.154 2.143 1.277) 2.499 4.267 ( 3.616 0.256 -2.568) 4.443 4.362 ( -1.004 6.243 6.812) 9.295 4.510 ( -0.090 4.354 -5.098) 6.705 4.675 ( -2.399 2.564 4.286) 5.540 4.827 ( 1.145 -0.696 -2.756) 3.064 4.899 ( 0.416 -0.573 1.089) 1.299 4.972 ( 0.421 -3.153 -2.561) 4.084 5.045 ( -1.556 0.784 3.276) 3.711 5.113 ( -1.763 -1.942 1.717) 3.134 5.199 ( -2.446 2.183 1.596) 3.647 5.274 ( -0.365 2.164 -0.777) 2.328 5.385 ( -3.601 -0.553 2.419) 4.373 5.469 ( -0.133 -1.205 -1.805) 2.174 5.617 ( -2.633 -5.499 -1.949) 6.401 5.686 ( 1.135 -3.428 0.612) 3.663 5.716 ( 2.965 -1.890 -1.269) 3.738 5.786 ( 4.877 -4.050 -3.843) 7.413 5.883 ( 0.926 1.489 -1.386) 2.235 5.936 ( 3.264 0.871 0.839) 3.481 6.207 ( -2.227 1.819 -0.592) 2.936 6.243 ( -0.194 1.165 0.107) 1.186 6.318 ( -3.492 -0.049 -0.808) 3.585 6.365 ( -0.134 -0.358 2.549) 2.578 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.666 3.239 1.577) 3.663 1.329 ( 0.814 7.700 -0.885) 7.794 1.526 ( 4.531 2.901 8.837) 10.346 1.681 ( 3.627 2.526 -10.033) 10.964 1.988 ( -1.253 -1.973 3.944) 4.584 2.059 ( -1.025 -0.501 3.404) 3.589 2.190 ( -1.329 -4.841 -1.004) 5.120 2.229 ( 2.019 -5.319 -3.212) 6.534 2.264 ( -6.559 -1.840 1.028) 6.890 2.390 ( 3.939 -1.184 -3.377) 5.321 2.486 ( 2.467 -0.893 3.416) 4.307 2.505 ( 0.876 -0.062 3.828) 3.928 2.585 ( -0.689 -0.474 6.369) 6.424 2.599 ( -2.808 -2.807 -3.278) 5.149 2.817 ( 0.425 0.982 1.621) 1.942 2.917 ( 1.969 -0.545 0.248) 2.058 2.975 ( -1.688 -2.435 -0.106) 2.965 3.097 ( -0.889 -0.532 1.880) 2.147 3.153 ( 0.434 1.193 -6.100) 6.231 3.275 ( -4.426 3.444 2.395) 6.098 3.311 ( 0.529 6.632 0.369) 6.663 3.375 ( -0.922 0.353 -3.871) 3.995 3.564 ( 0.339 3.140 -2.595) 4.087 3.792 ( 0.854 0.864 -0.436) 1.291 4.192 ( 1.965 3.058 2.201) 4.250 4.314 ( 0.586 1.657 0.822) 1.941 4.374 ( 1.908 3.055 2.235) 4.239 4.499 ( 0.026 2.887 -2.892) 4.086 4.642 ( -1.589 3.537 1.804) 4.277 4.826 ( -0.873 -0.946 -2.552) 2.858 4.914 ( 0.760 -1.146 -0.442) 1.445 4.963 ( -0.248 -1.498 -5.530) 5.735 5.024 ( -1.399 -0.853 5.157) 5.412 5.064 ( -3.850 -1.697 3.450) 5.441 5.154 ( -2.636 3.095 2.157) 4.603 5.268 ( -0.158 0.304 -0.270) 0.436 5.326 ( -2.028 0.287 0.896) 2.236 5.487 ( 2.018 -0.550 0.250) 2.106 5.568 ( -1.710 -5.046 -3.709) 6.492 5.682 ( -1.317 -1.543 0.429) 2.074 5.773 ( 2.829 -1.844 -0.784) 3.467 5.841 ( 1.675 -3.464 -1.663) 4.192 5.938 ( 3.940 0.058 -2.865) 4.872 6.004 ( 2.984 0.545 0.826) 3.143 6.164 ( -1.246 1.211 -1.048) 2.030 6.225 ( -2.200 0.421 0.209) 2.250 6.246 ( -2.880 0.337 -1.882) 3.457 6.351 ( -1.842 -0.547 2.829) 3.419 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.885 2.416 -0.305) 5.458 1.375 ( 4.018 6.076 -1.033) 7.357 1.598 ( 0.046 0.645 5.532) 5.570 1.701 ( -0.941 2.597 -4.018) 4.876 1.952 ( -2.812 -2.691 5.559) 6.786 2.041 ( -1.287 1.307 1.369) 2.289 2.132 ( -1.521 -3.754 2.381) 4.699 2.207 ( -0.389 -2.628 0.036) 2.657 2.277 ( 3.217 -5.735 -3.441) 7.422 2.448 ( -0.987 -1.279 0.201) 1.628 2.487 ( 0.728 -1.997 -7.876) 8.158 2.539 ( -0.912 -2.532 1.316) 2.996 2.549 ( 1.233 -3.946 3.435) 5.375 2.609 ( 0.867 -1.879 4.420) 4.881 2.810 ( -1.442 -0.948 3.139) 3.582 2.862 ( -3.446 -2.453 -0.321) 4.242 3.015 ( 2.178 2.983 -2.001) 4.201 3.082 ( -1.401 0.978 2.591) 3.104 3.143 ( 0.848 2.611 -1.192) 2.993 3.178 ( -4.426 5.601 3.305) 7.867 3.329 ( -0.940 5.001 2.441) 5.643 3.403 ( 3.811 6.956 -10.031) 12.788 3.594 ( 3.796 0.239 -1.629) 4.138 3.768 ( -3.273 0.371 0.313) 3.308 4.245 ( 2.670 3.562 3.203) 5.484 4.307 ( -1.253 2.602 4.824) 5.623 4.421 ( 2.192 0.801 -1.997) 3.072 4.508 ( 1.355 2.701 -3.192) 4.395 4.623 ( -0.558 2.420 1.576) 2.941 4.783 ( -2.854 -2.338 -2.602) 4.514 4.905 ( -1.324 -0.936 0.940) 1.875 4.963 ( 0.996 0.227 -4.898) 5.003 4.985 ( -2.865 -0.047 1.652) 3.307 5.007 ( -2.395 -0.975 0.940) 2.752 5.120 ( -1.220 2.561 5.680) 6.349 5.268 ( 0.121 -1.023 -2.209) 2.438 5.323 ( 1.599 -0.190 1.911) 2.499 5.515 ( -0.762 -0.583 -1.535) 1.810 5.555 ( 2.021 -2.751 -1.677) 3.803 5.647 ( -2.059 -0.496 -0.133) 2.122 5.818 ( 1.887 -2.318 -0.018) 2.989 5.871 ( 1.813 -3.323 -0.325) 3.799 5.967 ( -0.855 0.675 -1.771) 2.079 6.035 ( 0.300 -0.143 0.637) 0.719 6.154 ( -2.502 0.222 0.211) 2.520 6.186 ( 0.611 -0.436 -1.564) 1.735 6.224 ( 1.798 0.578 -3.068) 3.603 6.307 ( -3.221 -0.505 2.664) 4.211 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.685 3.815 2.848) 4.809 1.403 ( -3.414 1.926 -0.647) 3.973 1.581 ( -3.106 2.277 3.939) 5.509 1.668 ( 4.474 -0.033 -4.226) 6.154 1.940 ( -0.238 -0.118 6.284) 6.290 2.041 ( 1.124 -1.165 -0.526) 1.702 2.145 ( 0.902 -2.807 3.114) 4.288 2.206 ( -0.032 -2.205 -0.999) 2.421 2.316 ( -2.416 -6.933 0.753) 7.380 2.378 ( 0.063 -4.895 -2.344) 5.427 2.468 ( -4.429 -0.408 2.046) 4.896 2.505 ( 0.181 0.210 -0.734) 0.784 2.594 ( 0.944 -3.705 0.457) 3.851 2.658 ( 3.647 -4.383 -2.458) 6.209 2.784 ( -1.257 -0.914 3.652) 3.969 2.839 ( 1.131 -0.813 -1.038) 1.737 3.027 ( -3.314 2.567 2.623) 4.945 3.066 ( 2.804 4.339 -0.741) 5.219 3.133 ( -1.479 2.836 1.731) 3.636 3.185 ( 3.546 4.278 -3.255) 6.439 3.292 ( -3.491 8.382 5.170) 10.448 3.436 ( 1.501 5.516 -7.677) 9.572 3.680 ( -4.958 -0.281 -0.666) 5.011 3.693 ( 5.636 -0.318 -1.641) 5.879 4.284 ( -0.693 2.848 4.385) 5.274 4.302 ( 0.676 3.106 4.381) 5.413 4.435 ( -0.826 2.333 -1.535) 2.912 4.523 ( 1.081 2.246 -6.804) 7.246 4.641 ( 1.984 0.129 4.558) 4.973 4.722 ( -2.373 -2.774 -2.535) 4.444 4.875 ( -2.120 0.925 3.245) 3.985 4.946 ( -1.133 -0.629 -0.939) 1.600 4.971 ( -0.359 0.963 -0.693) 1.239 4.987 ( 1.959 0.136 -2.877) 3.484 5.128 ( 0.496 1.312 6.982) 7.121 5.261 ( 0.215 -1.009 -5.020) 5.125 5.382 ( 3.139 -1.637 3.181) 4.759 5.475 ( -2.222 -0.677 -4.188) 4.789 5.584 ( -0.841 -0.660 1.997) 2.265 5.623 ( 1.019 -0.360 -2.553) 2.772 5.849 ( 0.812 -2.917 1.438) 3.352 5.876 ( -1.606 -2.107 -1.120) 2.876 5.970 ( 2.630 -0.194 1.411) 2.991 6.004 ( -3.006 -0.938 -1.581) 3.523 6.143 ( 1.109 0.697 1.214) 1.786 6.164 ( -1.542 0.471 -0.749) 1.778 6.240 ( -3.934 -0.153 1.865) 4.356 6.297 ( 4.583 -0.910 -3.660) 5.935 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -8.569 3.440 1.580) 9.368 1.347 ( -0.902 4.860 1.622) 5.203 1.533 ( -3.115 2.225 6.509) 7.551 1.771 ( 1.743 0.525 -5.410) 5.708 1.968 ( 2.695 -1.614 2.843) 4.236 2.076 ( 1.989 -4.575 5.509) 7.432 2.142 ( -1.530 -2.218 -1.502) 3.085 2.196 ( -0.016 -2.240 -0.523) 2.301 2.239 ( -2.534 -3.311 0.729) 4.233 2.373 ( -0.383 -1.293 -0.109) 1.353 2.460 ( 0.157 -0.736 1.016) 1.264 2.517 ( 1.907 -3.515 2.194) 4.562 2.593 ( -0.927 -0.961 -0.873) 1.595 2.696 ( 1.511 -3.197 -2.516) 4.340 2.807 ( 1.900 -3.504 2.670) 4.797 2.857 ( 0.558 0.882 -0.362) 1.104 2.978 ( -1.519 1.080 1.335) 2.292 3.084 ( -4.441 3.867 3.755) 6.984 3.114 ( 1.023 4.325 0.528) 4.476 3.227 ( -0.813 4.266 1.188) 4.502 3.293 ( 6.515 6.782 -4.149) 10.279 3.430 ( -0.767 2.274 -5.129) 5.662 3.592 ( -2.980 0.718 -2.094) 3.712 3.786 ( 3.497 0.173 -1.261) 3.722 4.261 ( -2.150 2.819 3.737) 5.151 4.311 ( -1.018 2.627 2.117) 3.525 4.395 ( -2.312 3.890 1.892) 4.904 4.523 ( 0.437 3.324 -7.729) 8.425 4.691 ( 0.015 -2.337 -1.729) 2.907 4.711 ( 3.493 -1.027 3.975) 5.391 4.845 ( -1.595 2.059 3.448) 4.321 4.920 ( -1.307 -0.586 -0.152) 1.441 4.999 ( 2.824 1.191 0.952) 3.209 5.037 ( 3.410 -1.836 -1.850) 4.292 5.163 ( 1.905 1.517 5.898) 6.381 5.263 ( 1.025 -0.006 -6.334) 6.417 5.405 ( -1.623 -2.444 -2.773) 4.038 5.458 ( 1.836 -1.912 0.827) 2.777 5.546 ( -2.477 0.558 0.353) 2.564 5.655 ( 1.836 -0.914 -0.994) 2.279 5.825 ( -1.887 -1.960 0.278) 2.735 5.853 ( -2.457 -3.745 0.953) 4.580 5.950 ( -2.043 0.342 -0.479) 2.126 6.032 ( 2.186 -1.007 1.075) 2.636 6.145 ( -0.226 0.658 0.725) 1.005 6.163 ( -0.406 -0.046 0.125) 0.428 6.188 ( 0.526 1.251 0.951) 1.657 6.367 ( 3.162 -1.174 -3.136) 4.606 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -4.759 6.312 7.675) 11.018 1.391 ( 3.557 4.957 0.448) 6.117 1.462 ( -4.087 3.008 6.193) 8.006 1.715 ( -3.897 1.044 -7.613) 8.616 2.008 ( -0.748 -3.919 4.857) 6.285 2.057 ( -1.232 -2.830 3.728) 4.840 2.154 ( 0.401 -4.357 -3.052) 5.334 2.219 ( 1.730 -1.522 -0.759) 2.427 2.257 ( 2.872 -1.014 2.873) 4.187 2.388 ( 1.715 0.247 0.431) 1.785 2.443 ( -2.373 2.686 5.441) 6.516 2.530 ( -1.280 -1.144 -0.321) 1.747 2.580 ( -0.057 -5.634 -1.155) 5.751 2.703 ( -0.074 -2.939 -4.715) 5.557 2.831 ( -2.642 2.591 1.374) 3.947 2.863 ( 1.220 1.033 5.254) 5.491 2.958 ( -1.505 1.597 2.371) 3.231 3.028 ( 1.214 -1.772 0.776) 2.284 3.120 ( -0.116 3.423 -0.396) 3.448 3.240 ( 1.664 1.984 1.116) 2.820 3.395 ( -1.012 -1.860 -3.781) 4.333 3.428 ( 6.298 6.106 -3.771) 9.548 3.565 ( 0.958 2.121 -4.519) 5.083 3.806 ( -1.513 0.077 -1.460) 2.104 4.219 ( -2.361 2.429 1.188) 3.590 4.274 ( -2.562 2.874 1.131) 4.013 4.375 ( -0.799 4.623 5.626) 7.325 4.515 ( 0.450 4.997 -7.594) 9.102 4.703 ( 1.523 -2.265 -1.433) 3.083 4.781 ( 2.424 -0.529 2.200) 3.316 4.827 ( -1.078 1.472 5.334) 5.637 4.899 ( -0.483 0.024 -0.162) 0.510 5.070 ( 3.796 1.221 0.764) 4.060 5.097 ( 2.569 -3.498 0.806) 4.414 5.221 ( 2.615 2.722 2.824) 4.715 5.265 ( 0.309 1.033 -6.704) 6.790 5.384 ( 0.840 -2.863 -3.354) 4.489 5.492 ( 0.144 -0.979 1.748) 2.008 5.510 ( 0.509 -2.645 -0.714) 2.786 5.680 ( 0.664 -1.399 0.344) 1.587 5.776 ( -5.228 -4.193 1.695) 6.913 5.795 ( -1.548 -1.866 0.070) 2.426 5.904 ( -2.524 0.841 0.283) 2.675 6.025 ( -2.534 -0.633 -0.826) 2.740 6.149 ( 1.779 1.207 0.332) 2.176 6.210 ( 3.465 0.009 1.570) 3.804 6.221 ( 2.107 1.276 0.485) 2.510 6.405 ( 1.298 -1.019 -2.418) 2.927 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.696 6.889 12.446) 14.478 1.338 ( -5.818 4.844 14.968) 16.774 1.524 ( 4.825 3.214 -9.597) 11.212 1.635 ( -1.868 2.234 -10.284) 10.688 1.994 ( -0.475 -3.643 7.048) 7.948 2.071 ( 1.215 -2.882 -0.872) 3.247 2.157 ( 0.952 -3.453 -0.501) 3.616 2.244 ( 0.458 -0.450 -0.000) 0.642 2.280 ( -0.776 -0.631 5.993) 6.076 2.361 ( -6.207 6.186 7.531) 11.555 2.426 ( 0.622 -2.839 -2.336) 3.729 2.516 ( 0.318 -1.103 -0.839) 1.422 2.574 ( -0.132 -3.800 1.118) 3.963 2.692 ( -0.018 0.361 -3.236) 3.256 2.762 ( -2.937 2.001 2.145) 4.151 2.839 ( -3.209 4.526 -2.563) 6.112 3.020 ( 5.314 -4.608 4.449) 8.323 3.084 ( 3.379 -1.358 -3.080) 4.770 3.121 ( 0.474 -0.154 0.253) 0.559 3.282 ( 1.314 3.780 2.161) 4.548 3.370 ( -0.036 -3.754 -0.914) 3.864 3.499 ( 1.142 4.427 1.977) 4.981 3.619 ( 5.301 1.453 -10.183) 11.572 3.726 ( -5.911 -0.169 -1.776) 6.175 4.189 ( -0.591 1.528 0.158) 1.646 4.227 ( -2.392 2.682 0.573) 3.639 4.373 ( -0.740 5.851 6.630) 8.873 4.514 ( 0.885 6.089 -7.281) 9.533 4.730 ( 0.500 -1.987 2.265) 3.054 4.792 ( -0.204 0.623 -1.379) 1.527 4.846 ( 1.435 -0.610 5.784) 5.991 4.909 ( 1.512 0.776 -0.062) 1.701 5.105 ( -0.685 -1.000 0.943) 1.536 5.145 ( 1.689 -1.156 -0.374) 2.081 5.244 ( 0.450 1.413 -3.026) 3.370 5.269 ( 0.808 2.702 -1.061) 3.013 5.412 ( 1.418 -2.672 -0.532) 3.071 5.495 ( 1.705 0.618 -4.023) 4.413 5.566 ( 3.876 -5.712 2.334) 7.287 5.658 ( -4.346 -2.857 4.047) 6.590 5.699 ( -0.943 -3.809 -0.091) 3.925 5.755 ( -2.468 -1.693 -1.114) 3.193 5.873 ( -0.512 0.754 -0.097) 0.917 5.962 ( -3.325 0.054 -1.417) 3.615 6.196 ( 2.390 1.464 0.422) 2.834 6.242 ( 0.656 1.517 0.157) 1.660 6.290 ( 3.392 -0.003 1.777) 3.829 6.407 ( -0.629 -0.599 -1.554) 1.780 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 2.708 9.187 9.185) 13.270 1.420 ( -0.947 7.507 9.921) 12.477 1.596 ( -2.570 5.377 -5.245) 7.939 1.699 ( 2.370 3.336 -10.575) 11.339 1.975 ( -1.113 -2.102 1.948) 3.075 2.003 ( 1.660 -3.333 -0.364) 3.741 2.090 ( 3.753 -7.684 3.931) 9.412 2.160 ( -2.341 -5.369 -2.089) 6.219 2.278 ( -3.569 -0.166 3.364) 4.907 2.347 ( 1.867 -0.460 -2.223) 2.940 2.406 ( -1.506 0.905 4.100) 4.461 2.474 ( 0.787 -0.982 -2.675) 2.956 2.584 ( 0.969 0.528 2.448) 2.685 2.670 ( -1.322 -1.076 -4.922) 5.209 2.829 ( -0.920 7.619 6.036) 9.764 2.910 ( -0.981 3.742 -0.584) 3.912 3.007 ( 2.262 -2.231 0.516) 3.219 3.048 ( -0.849 -2.554 -1.480) 3.072 3.175 ( 0.898 -0.804 0.052) 1.206 3.227 ( 0.063 -0.983 -3.790) 3.916 3.442 ( 4.699 1.090 6.435) 8.042 3.505 ( -4.155 -0.440 0.039) 4.178 3.626 ( -4.658 2.129 2.010) 5.502 3.722 ( 3.631 0.466 -5.443) 6.559 4.256 ( -1.708 5.458 -0.490) 5.740 4.268 ( 1.547 4.344 -1.386) 4.815 4.479 ( -0.122 3.398 5.343) 6.333 4.562 ( -0.970 -1.346 -1.715) 2.386 4.762 ( 1.521 1.709 3.626) 4.288 4.796 ( -0.947 1.769 -1.281) 2.381 4.868 ( 0.669 -0.497 2.258) 2.407 4.927 ( -0.100 -1.561 -2.112) 2.628 5.101 ( -0.350 2.909 -1.082) 3.123 5.136 ( -0.869 1.780 -0.429) 2.027 5.285 ( -3.019 1.765 0.041) 3.498 5.319 ( 1.225 2.539 0.511) 2.865 5.383 ( 0.077 -2.917 1.755) 3.405 5.457 ( -1.918 -2.756 -2.098) 3.959 5.529 ( 2.681 -5.379 3.263) 6.839 5.570 ( 1.077 -3.492 -0.796) 3.740 5.607 ( 0.971 -5.203 -3.811) 6.522 5.628 ( 0.399 -4.418 -4.807) 6.541 5.907 ( 1.308 0.972 0.384) 1.675 5.921 ( -1.183 0.577 -0.924) 1.608 6.267 ( 1.038 1.901 0.958) 2.368 6.281 ( -0.711 2.050 -0.432) 2.212 6.342 ( 1.393 -0.178 2.061) 2.494 6.370 ( -1.911 -0.443 -0.712) 2.087 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.229 7.990 6.725) 10.931 1.455 ( 2.562 8.136 4.944) 9.859 1.560 ( 0.979 5.880 -1.765) 6.217 1.713 ( 1.455 3.640 -10.103) 10.837 1.950 ( -1.517 -2.993 1.690) 3.757 2.027 ( 0.608 -3.186 -0.874) 3.359 2.111 ( -1.056 -4.719 -3.909) 6.218 2.165 ( 0.165 -4.632 2.263) 5.157 2.220 ( -0.010 -3.992 5.118) 6.491 2.352 ( -3.295 0.982 0.648) 3.498 2.414 ( 1.582 -4.371 1.327) 4.834 2.488 ( 2.119 2.705 -1.151) 3.623 2.596 ( -0.426 -0.278 2.922) 2.966 2.620 ( -2.803 -1.044 -4.317) 5.252 2.856 ( 2.028 2.279 2.995) 4.275 2.866 ( -3.105 0.970 2.614) 4.173 2.992 ( -4.213 -3.755 0.698) 5.686 3.048 ( -0.175 -2.482 2.172) 3.303 3.165 ( 3.842 3.587 -6.417) 8.295 3.298 ( 3.959 1.329 -1.677) 4.501 3.434 ( -2.174 1.570 -1.669) 3.159 3.495 ( -2.699 5.195 8.742) 10.521 3.595 ( 2.254 1.036 -0.726) 2.585 3.775 ( 2.474 -0.092 -3.365) 4.177 4.227 ( -0.255 3.878 0.288) 3.897 4.324 ( 3.454 5.057 -1.156) 6.232 4.462 ( -2.214 1.910 3.886) 4.863 4.556 ( 0.259 1.438 0.848) 1.690 4.745 ( -2.229 3.157 -0.410) 3.886 4.816 ( 1.509 -0.328 0.061) 1.546 4.878 ( -0.036 -1.797 3.234) 3.699 4.903 ( -1.422 -2.740 -3.161) 4.418 5.085 ( -1.800 0.827 1.602) 2.548 5.107 ( -1.854 3.907 -0.479) 4.351 5.234 ( -2.066 1.053 1.608) 2.822 5.317 ( -1.355 2.227 0.057) 2.607 5.356 ( -2.978 -3.059 2.555) 4.975 5.438 ( 0.245 -1.549 -1.898) 2.462 5.516 ( -1.458 -3.815 -2.182) 4.630 5.594 ( 2.058 -5.209 1.264) 5.742 5.667 ( 3.847 -2.972 -3.702) 6.111 5.690 ( 4.720 -5.168 -4.719) 8.441 5.912 ( 0.853 1.319 -1.187) 1.969 5.950 ( 2.744 0.319 0.336) 2.783 6.248 ( -2.469 2.009 -0.746) 3.270 6.273 ( -0.539 1.775 0.758) 2.004 6.314 ( -3.494 -0.291 -0.764) 3.588 6.356 ( -0.467 -0.603 2.341) 2.462 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -2.413 7.017 2.353) 7.785 1.507 ( 1.744 9.487 -2.305) 9.917 1.603 ( 2.253 4.464 5.111) 7.150 1.731 ( 2.085 1.437 -7.232) 7.662 1.925 ( -1.671 -3.059 3.460) 4.912 2.029 ( 0.456 -2.944 -2.253) 3.735 2.100 ( -0.428 -3.716 -2.508) 4.504 2.133 ( -1.597 -3.486 2.278) 4.460 2.241 ( -3.406 -3.399 0.247) 4.818 2.297 ( 1.169 -2.644 4.449) 5.306 2.425 ( -0.151 -5.896 -2.189) 6.291 2.540 ( 2.166 -0.600 -2.168) 3.122 2.549 ( -3.710 -0.037 -0.075) 3.711 2.584 ( -1.047 0.620 2.682) 2.945 2.801 ( -2.395 -1.831 0.698) 3.095 2.881 ( -2.808 -2.017 0.781) 3.545 2.958 ( 3.233 -0.271 0.871) 3.359 3.054 ( 0.324 -3.447 3.205) 4.718 3.226 ( 1.981 5.322 -2.175) 6.081 3.354 ( 2.309 2.461 -0.652) 3.437 3.423 ( -2.940 7.087 3.413) 8.397 3.463 ( 3.475 7.007 -1.073) 7.895 3.623 ( 0.051 2.640 -2.255) 3.472 3.799 ( 0.127 -0.717 0.008) 0.728 4.253 ( 2.522 3.005 1.680) 4.267 4.381 ( 1.922 4.850 -0.807) 5.279 4.430 ( -0.930 1.359 2.796) 3.245 4.566 ( 0.406 3.998 1.792) 4.400 4.698 ( -2.267 1.719 -1.295) 3.126 4.804 ( -2.797 -1.182 -2.106) 3.696 4.882 ( -0.163 -2.255 2.249) 3.189 4.897 ( 1.509 -4.004 -1.520) 4.541 5.035 ( -3.282 -0.693 2.277) 4.054 5.065 ( -2.183 3.655 -0.543) 4.292 5.202 ( -2.233 1.330 2.487) 3.598 5.270 ( -2.957 -1.279 -1.018) 3.379 5.318 ( -0.454 0.265 1.367) 1.465 5.458 ( 2.119 -1.970 -0.293) 2.908 5.513 ( 1.104 0.122 -2.278) 2.535 5.621 ( 0.426 -3.900 1.167) 4.093 5.724 ( 2.498 -3.158 -1.994) 4.493 5.752 ( 2.546 -5.112 -4.378) 7.196 5.947 ( 2.667 0.874 -1.660) 3.260 6.008 ( 2.827 -0.278 -0.033) 2.840 6.192 ( -2.525 1.426 -0.851) 3.023 6.233 ( -4.088 0.177 -0.180) 4.095 6.258 ( -1.348 1.051 -0.769) 1.875 6.336 ( -1.937 -0.911 2.394) 3.211 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 3.639 4.717 0.702) 5.999 1.525 ( 0.816 8.208 -2.252) 8.551 1.616 ( -2.325 0.951 2.589) 3.607 1.734 ( -2.244 -0.332 -2.015) 3.034 1.910 ( 0.318 -0.698 5.769) 5.820 2.035 ( -1.332 -2.072 -1.735) 3.013 2.058 ( -0.344 -3.097 1.684) 3.542 2.151 ( 2.403 -3.949 -0.157) 4.626 2.189 ( -0.897 -1.169 -1.964) 2.456 2.325 ( -1.652 -6.810 0.826) 7.056 2.398 ( -0.475 -6.958 -1.210) 7.078 2.499 ( -1.317 -0.508 0.320) 1.447 2.555 ( -0.663 -1.210 -1.653) 2.153 2.571 ( 0.318 -0.242 0.525) 0.660 2.788 ( 0.949 -0.254 0.116) 0.989 2.840 ( -1.608 0.040 0.653) 1.736 3.027 ( 3.175 -1.097 -0.108) 3.361 3.065 ( -0.093 -2.267 3.072) 3.820 3.252 ( 2.128 7.168 -1.017) 7.546 3.339 ( -4.760 9.634 4.920) 11.819 3.421 ( 3.081 3.182 1.692) 4.742 3.545 ( 2.714 6.617 -5.851) 9.240 3.614 ( 1.495 2.084 -1.486) 2.964 3.767 ( -3.659 -0.867 1.173) 3.939 4.314 ( 2.798 2.968 2.499) 4.784 4.380 ( -0.914 3.762 1.850) 4.291 4.458 ( 2.351 3.400 0.713) 4.195 4.578 ( 0.473 4.012 -0.061) 4.040 4.657 ( -1.590 1.045 -0.754) 2.047 4.727 ( -4.088 -2.990 -1.294) 5.227 4.876 ( -0.807 -2.576 1.829) 3.261 4.927 ( 1.546 -3.545 -3.083) 4.945 4.982 ( -2.152 0.019 1.679) 2.729 5.029 ( -1.472 2.644 0.248) 3.036 5.161 ( -1.909 1.312 2.017) 3.071 5.227 ( -1.046 -3.134 -2.208) 3.973 5.335 ( 1.492 2.156 3.165) 4.110 5.496 ( 0.978 -1.539 -2.453) 3.057 5.539 ( 1.829 1.530 0.643) 2.470 5.619 ( -0.436 -1.765 -0.637) 1.926 5.755 ( 1.142 -4.173 -0.023) 4.326 5.785 ( 1.899 -4.894 -2.761) 5.931 5.977 ( 0.142 0.520 -1.645) 1.731 6.029 ( -0.979 -0.557 -0.613) 1.282 6.161 ( -1.710 0.529 0.194) 1.801 6.182 ( 0.757 -0.019 -1.267) 1.476 6.235 ( -0.290 0.627 -1.348) 1.515 6.293 ( -2.874 -0.847 1.973) 3.588 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 1.994 3.662 1.729) 4.514 1.468 ( -3.855 5.379 0.122) 6.619 1.620 ( 0.344 0.999 1.684) 1.988 1.659 ( -0.163 -0.679 -2.304) 2.408 1.936 ( -0.332 -0.552 5.796) 5.832 1.989 ( -2.697 -3.571 5.346) 6.972 2.089 ( 1.938 -2.496 -0.405) 3.186 2.172 ( -0.787 -2.092 -4.420) 4.953 2.190 ( -0.309 -4.556 2.073) 5.015 2.280 ( 1.173 -3.916 -4.407) 6.011 2.401 ( -0.924 -4.503 2.635) 5.298 2.503 ( 2.745 -4.465 -6.895) 8.661 2.533 ( -1.017 0.650 2.838) 3.084 2.592 ( 1.675 -1.685 -2.723) 3.614 2.783 ( -2.575 1.374 4.002) 4.954 2.839 ( 1.769 0.608 -1.848) 2.629 3.049 ( -2.126 -0.235 2.345) 3.173 3.085 ( 2.838 -1.449 -0.643) 3.251 3.258 ( -3.799 8.303 3.353) 9.727 3.321 ( 5.004 8.488 -2.338) 10.127 3.463 ( -0.320 7.082 3.822) 8.054 3.525 ( -2.154 3.243 -2.976) 4.900 3.673 ( -4.405 -0.735 0.308) 4.477 3.698 ( 4.759 0.835 -1.594) 5.088 4.355 ( 0.727 3.197 2.370) 4.046 4.369 ( -0.637 4.236 1.799) 4.646 4.505 ( 1.452 4.571 0.913) 4.882 4.574 ( 0.148 2.730 -3.531) 4.466 4.641 ( -0.128 -0.014 1.598) 1.603 4.666 ( -1.582 -2.613 -0.111) 3.056 4.864 ( -0.705 -2.523 2.136) 3.381 4.922 ( -0.963 -2.961 -2.100) 3.756 4.985 ( 1.421 0.804 1.377) 2.136 5.004 ( -0.608 2.213 -0.890) 2.461 5.145 ( -0.276 0.125 2.482) 2.500 5.224 ( 1.380 -2.639 -3.967) 4.960 5.375 ( 1.182 1.595 4.524) 4.941 5.477 ( -1.703 0.688 -2.841) 3.383 5.573 ( 0.597 -0.060 1.372) 1.497 5.611 ( 0.350 -0.628 -3.190) 3.270 5.770 ( -0.205 -4.793 1.417) 5.002 5.807 ( 0.436 -4.595 -2.149) 5.091 5.970 ( 0.600 0.140 0.250) 0.665 5.987 ( -2.264 -0.634 -1.269) 2.672 6.160 ( 0.997 1.016 0.756) 1.612 6.176 ( -1.140 0.645 -0.703) 1.487 6.235 ( -2.842 -0.246 1.380) 3.169 6.274 ( 3.500 -1.363 -2.380) 4.447 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.759 5.624 1.040) 7.441 1.476 ( -0.936 7.522 2.183) 7.888 1.585 ( -1.355 2.907 4.243) 5.319 1.754 ( 3.263 -3.084 -2.718) 5.248 1.919 ( -0.209 -3.098 3.989) 5.055 1.974 ( -0.236 -4.595 8.335) 9.521 2.092 ( -2.167 -2.374 -5.089) 6.019 2.152 ( 0.864 -1.714 -1.461) 2.412 2.178 ( 0.478 -2.584 1.020) 2.819 2.340 ( 3.807 -3.310 -2.220) 5.512 2.387 ( -0.366 -2.190 -1.722) 2.810 2.512 ( -1.091 -2.663 1.719) 3.352 2.560 ( 2.069 -1.664 -2.519) 3.660 2.625 ( 2.253 -1.842 -3.472) 4.531 2.758 ( 0.410 0.101 2.446) 2.483 2.858 ( 0.702 -0.371 -1.215) 1.452 3.005 ( -2.628 0.753 1.473) 3.105 3.121 ( 0.859 -2.302 -1.471) 2.864 3.205 ( -2.929 6.713 2.617) 7.778 3.382 ( -3.470 9.273 5.871) 11.511 3.437 ( -0.240 5.012 -1.151) 5.148 3.481 ( 0.966 4.762 -2.540) 5.482 3.614 ( -0.831 1.577 -2.212) 2.841 3.784 ( 3.154 -0.724 0.033) 3.236 4.339 ( -2.275 4.513 0.549) 5.084 4.369 ( -0.208 2.627 2.247) 3.464 4.479 ( -2.694 4.635 -0.367) 5.374 4.601 ( 1.785 3.480 -3.761) 5.426 4.649 ( 0.331 -1.197 1.900) 2.270 4.684 ( 3.551 -1.377 1.883) 4.249 4.856 ( -0.777 -1.665 2.593) 3.178 4.905 ( -0.470 -1.896 -0.841) 2.127 4.993 ( 0.817 -0.602 0.704) 1.234 5.042 ( 3.131 2.111 -0.736) 3.847 5.168 ( 2.522 -1.297 1.587) 3.250 5.258 ( 2.647 -1.060 -4.699) 5.497 5.371 ( -2.251 0.523 2.027) 3.074 5.448 ( -0.858 1.043 -0.255) 1.375 5.556 ( -1.755 0.437 -1.088) 2.111 5.626 ( 1.024 -1.879 -1.208) 2.457 5.739 ( -2.953 -5.367 1.540) 6.316 5.790 ( -1.616 -3.589 -2.861) 4.866 5.955 ( -1.216 0.300 0.376) 1.308 6.009 ( 1.958 -1.184 1.243) 2.604 6.160 ( 0.044 0.671 0.309) 0.740 6.166 ( -0.559 0.256 0.111) 0.625 6.218 ( 1.461 1.729 0.521) 2.322 6.336 ( 3.039 -1.870 -2.125) 4.154 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.954 9.383 6.125) 11.374 1.512 ( 3.293 6.398 0.999) 7.265 1.541 ( -3.456 4.873 5.334) 8.009 1.736 ( -2.039 0.713 -4.368) 4.873 1.933 ( -0.336 -3.757 4.241) 5.676 2.002 ( 0.272 -3.391 4.322) 5.500 2.041 ( -0.846 -5.198 -3.690) 6.431 2.183 ( 1.915 -1.915 -1.677) 3.185 2.221 ( 2.698 -2.049 2.369) 4.134 2.374 ( -0.374 -2.380 -3.139) 3.957 2.412 ( 4.066 -5.092 -1.208) 6.628 2.492 ( -1.096 -3.301 0.244) 3.487 2.552 ( -2.179 3.433 1.981) 4.523 2.660 ( 2.091 -0.957 -4.472) 5.028 2.811 ( 3.526 -1.699 0.419) 3.936 2.895 ( 2.859 -0.345 0.288) 2.895 2.959 ( -0.787 -0.544 -0.319) 1.008 3.106 ( -4.074 4.078 3.195) 6.590 3.133 ( -3.318 1.343 -0.502) 3.614 3.314 ( -2.317 3.968 5.879) 7.462 3.394 ( -2.593 3.212 -0.998) 4.247 3.553 ( 3.350 5.430 -1.392) 6.530 3.616 ( 1.618 3.234 -3.912) 5.327 3.799 ( -1.863 -0.881 0.325) 2.086 4.283 ( -2.895 3.665 -0.878) 4.752 4.361 ( -1.362 4.564 1.214) 4.915 4.442 ( -0.751 2.723 1.799) 3.350 4.610 ( -0.137 2.494 -2.306) 3.399 4.670 ( 1.546 -0.366 1.881) 2.462 4.769 ( 4.029 0.025 0.534) 4.064 4.844 ( -0.952 0.120 2.603) 2.774 4.903 ( 0.461 -0.800 -0.322) 0.978 5.036 ( 3.202 -1.630 1.188) 3.784 5.099 ( 2.834 1.528 -2.776) 4.252 5.251 ( 5.510 -1.153 0.787) 5.684 5.293 ( 1.151 1.538 -3.845) 4.299 5.333 ( -0.717 -1.166 -0.002) 1.369 5.426 ( -1.522 -1.163 1.480) 2.421 5.516 ( -1.590 0.422 -2.536) 3.023 5.632 ( -0.365 -3.198 0.082) 3.220 5.671 ( -4.554 -5.336 2.342) 7.395 5.746 ( -2.090 -3.764 -3.064) 5.285 5.923 ( -2.047 1.191 0.637) 2.452 6.008 ( -1.997 -1.095 0.053) 2.278 6.175 ( 2.276 1.290 0.723) 2.714 6.209 ( 3.606 -0.055 1.387) 3.864 6.257 ( 2.049 2.119 0.022) 2.948 6.378 ( 1.653 -1.620 -1.672) 2.856 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 2.203 10.599 9.382) 14.325 1.454 ( -4.558 6.653 11.011) 13.648 1.609 ( 3.866 4.743 -6.090) 8.633 1.690 ( -0.874 2.909 -8.124) 8.673 1.949 ( 1.538 -1.447 4.741) 5.190 2.001 ( -0.546 -3.708 1.646) 4.093 2.040 ( 0.926 -7.149 -0.241) 7.213 2.198 ( -0.671 -4.165 -0.948) 4.324 2.264 ( 1.868 -0.782 1.302) 2.407 2.367 ( -0.257 -2.425 -0.853) 2.583 2.443 ( -2.959 -2.993 0.425) 4.230 2.466 ( 0.148 -2.299 -1.176) 2.587 2.548 ( 1.957 4.181 1.955) 5.013 2.684 ( 1.019 -0.855 -5.070) 5.241 2.848 ( -1.175 4.458 3.382) 5.718 2.913 ( 1.565 0.670 1.087) 2.019 3.002 ( -4.337 5.759 4.240) 8.363 3.041 ( 5.279 -3.179 -3.720) 7.198 3.099 ( 0.246 -1.859 -1.339) 2.304 3.299 ( -2.431 -2.708 0.000) 3.639 3.362 ( 0.921 4.196 4.370) 6.128 3.566 ( -1.782 1.569 1.727) 2.935 3.662 ( 3.647 2.569 -6.393) 7.796 3.725 ( -5.232 0.135 0.847) 5.302 4.246 ( -0.403 3.948 -1.199) 4.146 4.317 ( -2.908 5.631 -0.516) 6.358 4.456 ( 1.035 2.082 4.210) 4.809 4.591 ( -1.269 0.398 -1.908) 2.326 4.713 ( 2.300 0.072 2.794) 3.620 4.818 ( -0.141 2.621 -0.787) 2.740 4.841 ( 1.200 0.002 2.688) 2.944 4.918 ( 0.948 -0.770 -0.438) 1.298 5.095 ( 1.860 1.382 -0.736) 2.431 5.134 ( 1.389 0.223 -3.347) 3.631 5.292 ( 0.466 3.212 1.088) 3.423 5.329 ( -0.087 3.131 -0.960) 3.276 5.355 ( 2.243 -2.809 -0.653) 3.654 5.431 ( 3.465 -7.315 0.970) 8.152 5.499 ( 0.378 -0.293 -3.227) 3.263 5.581 ( -4.405 -4.154 2.922) 6.723 5.616 ( -0.975 -4.367 -0.586) 4.513 5.689 ( -3.315 -4.745 -3.089) 6.561 5.896 ( -0.480 1.434 0.319) 1.545 5.960 ( -2.471 -0.340 -0.625) 2.571 6.229 ( 2.544 1.702 1.020) 3.226 6.273 ( 1.813 0.987 0.854) 2.234 6.297 ( 2.435 1.088 0.755) 2.772 6.391 ( -0.067 -1.016 -1.120) 1.514 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.275 7.589 5.909) 9.622 1.586 ( 1.172 8.476 4.954) 9.888 1.679 ( -0.607 0.318 -2.152) 2.259 1.714 ( 0.339 -1.474 -3.894) 4.177 1.921 ( 0.653 -2.160 1.403) 2.657 1.937 ( 1.514 -4.771 1.021) 5.108 1.994 ( 1.722 0.446 0.852) 1.973 2.048 ( -1.519 -4.998 -2.694) 5.877 2.272 ( -2.907 0.622 0.972) 3.127 2.311 ( 0.343 -2.752 -2.797) 3.939 2.426 ( 0.667 1.516 2.105) 2.679 2.455 ( 2.932 -1.246 -0.357) 3.206 2.614 ( -1.157 1.750 -1.657) 2.673 2.645 ( -1.420 -1.427 -3.936) 4.421 2.913 ( -1.104 -0.166 1.109) 1.573 2.943 ( -0.651 -2.132 -1.764) 2.843 3.003 ( -5.124 5.623 4.475) 8.826 3.056 ( 0.219 0.575 -0.656) 0.899 3.180 ( 2.153 1.746 0.927) 2.923 3.216 ( 4.058 -0.762 -1.669) 4.453 3.456 ( 2.496 0.537 4.123) 4.850 3.479 ( -2.114 -1.774 1.574) 3.177 3.671 ( -2.559 2.165 2.878) 4.418 3.709 ( 0.775 -1.571 -0.124) 1.756 4.364 ( -1.197 5.184 -0.101) 5.321 4.376 ( 1.129 5.556 -0.903) 5.741 4.479 ( -0.499 -2.924 0.972) 3.121 4.501 ( -0.174 -4.211 -0.693) 4.271 4.781 ( 1.550 2.192 6.077) 6.644 4.835 ( 0.014 -2.044 3.469) 4.026 4.864 ( -1.085 2.110 -2.358) 3.345 4.899 ( -0.827 -1.213 -2.972) 3.315 5.171 ( -0.808 4.268 -0.034) 4.344 5.205 ( 1.092 2.968 -2.205) 3.855 5.291 ( -3.334 -1.592 2.534) 4.480 5.316 ( -1.448 -3.428 2.657) 4.573 5.373 ( 1.021 2.713 0.939) 3.047 5.403 ( 1.158 -0.746 0.125) 1.383 5.465 ( -0.050 -1.397 0.264) 1.423 5.499 ( -2.690 -4.307 -2.706) 5.754 5.528 ( 3.487 -1.201 -5.709) 6.796 5.550 ( 2.762 -3.003 -6.397) 7.587 5.921 ( 0.589 0.490 0.024) 0.767 5.926 ( -0.304 -0.004 -0.439) 0.534 6.300 ( 1.054 1.325 1.216) 2.085 6.311 ( 0.143 0.567 0.313) 0.663 6.341 ( 0.032 0.400 1.050) 1.124 6.357 ( -1.408 -0.873 -0.351) 1.693 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -2.140 7.569 4.554) 9.089 1.622 ( 1.720 7.724 0.975) 7.973 1.661 ( 0.265 2.117 -0.747) 2.261 1.708 ( -0.398 -3.422 -3.936) 5.231 1.923 ( -0.419 -0.859 0.720) 1.197 1.948 ( 0.438 -4.448 -1.390) 4.681 2.034 ( 1.664 -1.364 -2.537) 3.327 2.063 ( 2.672 -3.423 1.265) 4.523 2.202 ( -3.852 2.272 2.257) 5.010 2.299 ( -1.133 -6.428 -0.457) 6.543 2.411 ( -2.430 4.258 -0.701) 4.953 2.490 ( 0.491 -2.717 -2.506) 3.729 2.599 ( -0.351 0.582 1.298) 1.465 2.610 ( -1.603 -0.403 -1.702) 2.373 2.851 ( -4.283 0.704 1.018) 4.458 2.901 ( -4.041 -3.692 1.342) 5.636 2.940 ( -1.081 3.227 2.796) 4.404 3.001 ( -2.832 -2.581 1.882) 4.269 3.258 ( 4.635 4.485 -1.562) 6.636 3.312 ( 4.080 -0.737 -2.841) 5.026 3.491 ( 3.531 3.851 0.636) 5.263 3.550 ( 4.866 -1.029 3.357) 6.001 3.640 ( -1.176 4.559 3.175) 5.679 3.733 ( 1.238 -3.961 1.179) 4.314 4.319 ( -1.572 5.260 0.006) 5.490 4.412 ( -0.577 -1.730 0.113) 1.827 4.456 ( 1.710 3.589 0.176) 3.979 4.548 ( 2.953 -3.110 0.687) 4.343 4.800 ( -3.039 2.245 -0.485) 3.810 4.810 ( 0.300 0.291 5.589) 5.605 4.849 ( -1.298 -0.973 -0.160) 1.630 4.860 ( -2.087 -1.924 -1.456) 3.190 5.126 ( -3.938 3.578 1.912) 5.654 5.181 ( -3.348 0.635 -2.412) 4.175 5.240 ( -1.629 0.386 1.593) 2.310 5.279 ( -2.245 -3.129 0.290) 3.862 5.366 ( -0.922 2.591 0.767) 2.855 5.410 ( -0.461 -1.774 0.838) 2.015 5.478 ( 2.260 -0.072 0.598) 2.339 5.511 ( 2.654 -2.850 0.350) 3.911 5.601 ( 4.341 -2.144 -6.420) 8.041 5.614 ( 4.360 -2.551 -7.414) 8.971 5.934 ( 1.322 0.939 -0.683) 1.760 5.948 ( 2.052 -0.444 -0.173) 2.106 6.281 ( -2.739 1.343 -0.794) 3.152 6.299 ( -2.012 -0.244 -0.734) 2.155 6.314 ( -2.044 1.196 1.411) 2.757 6.340 ( -0.892 -1.074 1.946) 2.395 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -3.693 8.406 1.515) 9.306 1.638 ( -2.606 -2.234 -1.805) 3.878 1.672 ( 1.931 3.719 1.163) 4.349 1.707 ( 1.054 -0.578 -3.002) 3.234 1.925 ( 0.396 1.754 2.111) 2.772 1.965 ( 1.817 -2.600 -3.878) 5.010 2.055 ( 0.386 -0.390 -2.236) 2.302 2.087 ( -1.108 -2.494 2.803) 3.912 2.156 ( -0.960 0.436 2.987) 3.168 2.270 ( -1.782 -8.504 -1.048) 8.751 2.351 ( -2.692 5.282 -0.316) 5.936 2.467 ( -1.708 -5.633 -3.294) 6.745 2.572 ( -1.866 1.296 0.048) 2.273 2.591 ( -1.277 -0.431 2.264) 2.635 2.797 ( -0.844 1.777 0.349) 1.998 2.844 ( -1.123 -2.182 0.413) 2.489 2.953 ( 1.593 0.390 1.686) 2.352 2.987 ( 0.503 -2.862 2.468) 3.812 3.325 ( 2.667 3.881 -1.069) 4.829 3.369 ( 3.068 -0.650 -1.255) 3.378 3.583 ( 2.991 6.191 0.799) 6.922 3.589 ( -0.388 5.914 5.309) 7.956 3.657 ( 1.960 1.043 -2.131) 3.077 3.745 ( -0.519 -4.913 2.069) 5.356 4.318 ( 1.382 3.665 1.251) 4.111 4.391 ( -0.496 -3.183 0.757) 3.309 4.514 ( 2.978 6.273 0.207) 6.947 4.603 ( 2.295 -1.501 1.029) 2.928 4.735 ( -3.222 2.245 -1.075) 4.072 4.779 ( -4.380 -1.714 -1.887) 5.067 4.822 ( -0.240 -1.513 3.813) 4.109 4.842 ( -0.595 -2.315 1.616) 2.886 5.049 ( -3.638 2.197 0.725) 4.311 5.099 ( -3.670 -1.464 -1.820) 4.351 5.214 ( -1.718 0.551 0.091) 1.807 5.230 ( -2.619 -0.991 -2.056) 3.474 5.369 ( 0.907 3.344 2.856) 4.490 5.422 ( 1.350 -2.046 2.599) 3.573 5.535 ( 2.922 1.237 1.642) 3.573 5.565 ( 2.674 -1.415 0.236) 3.034 5.651 ( 1.867 -2.554 -5.533) 6.373 5.671 ( 2.726 -3.079 -6.983) 8.104 5.969 ( 2.153 1.250 -1.028) 2.694 5.993 ( 2.353 -1.091 -0.555) 2.652 6.216 ( -3.320 0.942 -0.852) 3.555 6.230 ( -3.831 -0.467 -0.941) 3.973 6.286 ( -1.745 1.587 0.920) 2.532 6.315 ( -1.981 -1.298 1.726) 2.931 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.652 6.334 1.165) 6.473 1.585 ( -2.140 -4.350 1.142) 4.980 1.667 ( -2.716 4.187 -1.755) 5.290 1.705 ( -1.025 -0.965 -2.976) 3.292 1.934 ( -0.388 2.567 3.410) 4.286 1.986 ( -0.500 -2.523 -2.156) 3.356 2.032 ( -0.800 0.834 2.941) 3.160 2.082 ( 0.653 -3.271 -0.184) 3.341 2.157 ( 0.233 -0.626 1.509) 1.650 2.225 ( -1.821 -6.086 -3.294) 7.156 2.334 ( 0.852 3.344 0.665) 3.514 2.433 ( -0.749 -5.216 -3.602) 6.383 2.550 ( -0.561 0.702 -0.194) 0.919 2.567 ( -1.037 -0.718 0.833) 1.512 2.815 ( 1.929 2.476 0.322) 3.156 2.847 ( 0.518 -0.122 0.353) 0.639 2.997 ( 2.433 -1.033 1.363) 2.974 3.013 ( 1.343 -2.404 2.396) 3.651 3.378 ( 3.618 4.876 -1.188) 6.187 3.436 ( 3.485 -0.966 -0.011) 3.616 3.533 ( -4.037 8.615 6.225) 11.370 3.627 ( -1.473 0.612 -0.172) 1.604 3.667 ( 0.590 2.553 -2.281) 3.474 3.721 ( -2.038 -3.467 0.253) 4.030 4.366 ( 2.660 2.489 2.295) 4.306 4.406 ( 1.679 -1.024 1.132) 2.270 4.558 ( 1.536 5.738 0.610) 5.971 4.636 ( 0.757 -0.556 0.703) 1.173 4.681 ( -1.975 1.565 -0.595) 2.589 4.690 ( -3.915 0.661 -0.776) 4.046 4.808 ( -1.653 -2.968 1.828) 3.858 4.839 ( -0.389 -4.741 -0.370) 4.771 5.006 ( -0.612 2.391 1.087) 2.697 5.053 ( -0.761 -1.195 -0.827) 1.640 5.174 ( -2.085 0.168 -0.650) 2.191 5.179 ( -1.863 -0.910 -2.160) 2.995 5.402 ( 1.539 3.780 4.239) 5.884 5.459 ( 1.509 -2.117 3.111) 4.054 5.583 ( 1.343 1.958 1.439) 2.776 5.616 ( 2.372 2.214 -3.332) 4.651 5.658 ( 0.388 -4.652 -2.288) 5.198 5.695 ( 1.317 -4.201 -4.783) 6.501 5.992 ( -0.108 0.932 -1.538) 1.801 6.012 ( -0.785 -1.078 -1.311) 1.869 6.172 ( -0.866 0.513 -0.124) 1.015 6.180 ( -0.136 -0.256 -0.686) 0.745 6.252 ( -1.653 1.074 0.093) 1.973 6.274 ( -2.399 -1.098 1.063) 2.844 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.696 3.163 2.057) 3.836 1.556 ( 1.702 1.210 -1.344) 2.483 1.618 ( -0.679 0.853 0.981) 1.467 1.651 ( -3.366 -0.808 -1.741) 3.875 1.920 ( -1.902 -0.436 5.207) 5.561 1.934 ( -3.613 -1.720 5.764) 7.017 2.056 ( 1.648 -0.438 0.385) 1.748 2.089 ( 0.047 -3.634 -1.159) 3.815 2.168 ( 0.658 0.803 -1.253) 1.627 2.218 ( 2.027 -3.452 -5.220) 6.578 2.364 ( 1.555 1.388 -0.287) 2.104 2.419 ( -0.210 -3.595 -5.112) 6.253 2.547 ( 0.701 0.604 0.572) 1.088 2.565 ( 0.804 -1.212 -1.136) 1.846 2.831 ( -1.221 2.752 2.169) 3.710 2.856 ( 0.569 0.499 -0.487) 0.900 3.032 ( -0.114 -0.922 1.236) 1.546 3.043 ( 1.657 -2.089 0.349) 2.689 3.411 ( -4.815 6.214 3.740) 8.706 3.462 ( 3.278 3.186 -0.992) 4.678 3.527 ( -0.052 2.455 3.383) 4.180 3.591 ( 1.492 0.493 -2.463) 2.921 3.651 ( -2.436 0.559 2.075) 3.248 3.699 ( 0.909 -1.537 -2.108) 2.763 4.408 ( 0.798 2.435 2.217) 3.388 4.433 ( 0.088 0.837 0.045) 0.843 4.589 ( 1.806 2.591 1.856) 3.663 4.617 ( -1.944 -0.677 -0.593) 2.142 4.649 ( -1.052 3.627 0.461) 3.805 4.665 ( 0.707 3.322 -0.646) 3.457 4.785 ( -0.604 -4.535 2.086) 5.028 4.819 ( -1.135 -6.459 -0.361) 6.568 5.024 ( 1.243 2.346 1.223) 2.923 5.043 ( -0.316 0.943 -1.269) 1.613 5.142 ( -0.709 0.135 -0.530) 0.895 5.169 ( 1.575 -2.527 -2.589) 3.946 5.435 ( 0.451 3.532 5.151) 6.262 5.480 ( -0.139 -0.826 3.263) 3.369 5.590 ( -0.484 1.450 -1.218) 1.954 5.610 ( -0.852 0.458 -5.633) 5.715 5.682 ( 0.673 -2.847 0.523) 2.972 5.713 ( 1.214 -4.357 -3.186) 5.532 5.973 ( -0.583 0.172 -0.463) 0.764 5.978 ( -1.446 -0.346 -0.899) 1.737 6.179 ( 0.387 0.754 0.319) 0.906 6.185 ( -0.547 0.171 -0.287) 0.641 6.234 ( -0.840 0.230 0.419) 0.967 6.248 ( 1.669 -1.140 -0.969) 2.241 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -1.646 6.668 0.484) 6.885 1.580 ( -2.001 -0.335 1.740) 2.673 1.643 ( 1.340 2.508 1.916) 3.429 1.672 ( 5.998 -2.468 -1.458) 6.647 1.873 ( -3.134 -0.851 6.827) 7.560 1.896 ( -2.263 -3.103 6.971) 7.959 2.071 ( -0.207 0.266 -2.252) 2.277 2.105 ( 1.856 -2.767 0.597) 3.385 2.180 ( 1.341 2.683 -3.005) 4.246 2.258 ( 2.653 -4.419 -4.966) 7.157 2.376 ( -0.244 -0.112 -2.320) 2.336 2.400 ( -0.699 -3.840 -1.827) 4.310 2.581 ( 2.440 1.065 -2.037) 3.353 2.600 ( 3.307 -0.982 -1.740) 3.864 2.802 ( -1.525 3.406 1.487) 4.017 2.850 ( -0.857 -0.975 -0.117) 1.304 3.011 ( -1.869 0.601 -0.188) 1.972 3.054 ( -0.322 -3.554 -1.198) 3.764 3.330 ( -3.971 5.563 3.318) 7.598 3.414 ( -4.947 -2.690 2.615) 6.209 3.590 ( 3.214 4.736 0.714) 5.768 3.595 ( -3.095 6.773 2.976) 8.019 3.645 ( 2.808 1.833 -2.428) 4.140 3.742 ( 2.663 -4.039 0.096) 4.839 4.401 ( -2.348 1.202 -0.745) 2.741 4.403 ( -1.731 0.904 0.993) 2.191 4.579 ( -1.978 4.037 -1.288) 4.676 4.629 ( 0.586 -2.010 1.729) 2.715 4.640 ( 0.674 3.910 3.218) 5.108 4.704 ( 3.255 1.754 -1.954) 4.182 4.799 ( 1.480 -3.566 2.484) 4.591 4.815 ( 0.989 -5.128 1.321) 5.387 5.020 ( -0.064 2.366 -0.840) 2.511 5.061 ( 1.499 -1.089 -1.557) 2.420 5.161 ( 2.771 1.785 -0.820) 3.397 5.214 ( 3.135 -2.861 -3.109) 5.262 5.426 ( -2.106 3.838 3.698) 5.731 5.473 ( -1.220 0.134 3.400) 3.614 5.565 ( -1.681 0.532 -1.743) 2.479 5.587 ( -0.922 -1.890 -0.983) 2.322 5.663 ( -2.103 -0.986 -2.442) 3.370 5.707 ( -1.333 -4.230 -4.114) 6.049 5.966 ( -0.158 0.821 0.826) 1.175 5.986 ( 1.001 -1.148 1.082) 1.869 6.169 ( 0.112 0.271 0.123) 0.318 6.170 ( -0.436 0.141 0.186) 0.495 6.255 ( 2.308 2.024 -0.171) 3.075 6.296 ( 2.810 -2.088 -1.045) 3.654 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.899 8.599 3.932) 9.498 1.584 ( 1.193 -0.863 3.434) 3.736 1.651 ( -0.588 5.859 0.927) 5.961 1.734 ( 0.654 -1.538 -2.838) 3.293 1.854 ( -0.352 -2.601 5.737) 6.309 1.884 ( 0.305 -5.446 6.119) 8.198 2.047 ( -1.723 3.445 -2.802) 4.764 2.129 ( -0.093 -3.984 -1.132) 4.143 2.217 ( 2.902 2.553 -2.391) 4.545 2.301 ( 2.902 -4.245 -3.330) 6.127 2.356 ( -0.856 -1.024 -1.892) 2.315 2.394 ( 0.220 -4.274 1.943) 4.700 2.627 ( 2.422 2.857 -2.784) 4.666 2.658 ( 2.196 -0.222 -3.023) 3.743 2.805 ( 2.152 1.634 -0.361) 2.727 2.859 ( 3.094 -2.781 -1.388) 4.386 2.974 ( -1.418 1.964 -0.494) 2.472 3.039 ( -0.548 -4.358 -2.143) 4.887 3.261 ( -4.431 5.426 4.356) 8.249 3.330 ( -4.191 -1.639 3.015) 5.417 3.525 ( -4.570 7.302 3.930) 9.468 3.606 ( -1.584 -0.396 2.272) 2.798 3.694 ( 1.832 3.989 -2.508) 5.056 3.763 ( -0.829 -2.852 0.800) 3.076 4.345 ( -2.047 2.614 -1.208) 3.532 4.390 ( 0.094 -1.458 0.898) 1.715 4.529 ( -2.872 5.486 -1.327) 6.333 4.611 ( -2.127 -2.236 0.569) 3.138 4.679 ( 1.950 2.570 4.359) 5.423 4.760 ( 2.536 -3.236 0.226) 4.118 4.847 ( 2.481 0.353 0.970) 2.687 4.858 ( 2.746 -1.562 0.624) 3.220 5.051 ( 3.756 2.317 -1.117) 4.552 5.102 ( 3.506 -2.020 -3.654) 5.452 5.226 ( 3.786 0.767 -0.994) 3.989 5.265 ( 2.629 -2.316 -3.487) 4.944 5.389 ( -1.990 4.216 3.089) 5.593 5.442 ( -2.532 0.283 2.691) 3.705 5.522 ( -2.244 0.613 -1.252) 2.642 5.559 ( -2.251 -3.217 1.743) 4.296 5.608 ( -2.826 -0.538 -3.179) 4.288 5.656 ( -2.748 -4.629 -4.475) 7.000 5.951 ( -1.523 1.577 0.665) 2.291 5.982 ( -1.554 -1.513 0.498) 2.225 6.196 ( 2.801 0.779 0.950) 3.058 6.206 ( 3.268 -0.259 1.141) 3.471 6.300 ( 2.174 2.235 -0.389) 3.142 6.342 ( 2.026 -1.993 -0.936) 2.992 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 2.266 9.439 6.199) 11.517 1.586 ( -1.747 5.387 6.427) 8.566 1.666 ( 2.105 0.559 -2.818) 3.562 1.724 ( -0.580 -1.171 -2.865) 3.149 1.879 ( 1.973 -3.265 5.253) 6.492 1.908 ( 0.861 -4.798 1.917) 5.238 2.004 ( -1.810 3.164 -1.545) 3.959 2.096 ( -2.463 -5.521 -1.655) 6.268 2.268 ( 2.558 1.693 -2.917) 4.233 2.329 ( -1.028 -3.386 -2.484) 4.324 2.372 ( 3.742 -0.053 0.909) 3.851 2.415 ( 1.092 -3.098 2.761) 4.291 2.640 ( -0.607 3.284 -2.394) 4.109 2.670 ( -0.058 -0.579 -3.863) 3.907 2.874 ( 4.347 1.382 -1.167) 4.708 2.942 ( 2.392 -3.764 -2.959) 5.352 2.981 ( 3.663 2.612 -0.967) 4.602 3.042 ( 1.994 -2.664 -1.736) 3.754 3.170 ( -5.227 7.051 5.899) 10.575 3.258 ( -4.103 -2.283 2.939) 5.539 3.453 ( -2.900 5.193 4.031) 7.186 3.548 ( -4.330 -3.408 2.184) 5.927 3.704 ( -0.020 1.531 -1.271) 1.990 3.724 ( -2.924 -0.479 1.624) 3.379 4.333 ( 1.018 4.682 -1.054) 4.906 4.403 ( 0.171 -0.080 0.964) 0.982 4.474 ( -1.767 2.725 -1.390) 3.533 4.557 ( -3.288 -3.615 -0.034) 4.886 4.730 ( 2.288 2.690 5.213) 6.297 4.806 ( 1.881 -3.823 2.266) 4.826 4.878 ( 0.453 2.196 -0.518) 2.301 4.899 ( 1.255 -0.346 -1.355) 1.879 5.144 ( 4.989 2.332 -1.574) 5.728 5.162 ( 2.584 1.618 -4.085) 5.097 5.298 ( 2.777 -2.526 -0.553) 3.794 5.305 ( 2.549 -3.284 -0.933) 4.261 5.366 ( -1.053 3.363 3.955) 5.297 5.392 ( -2.335 1.940 1.254) 3.285 5.490 ( -0.703 -0.251 -2.270) 2.389 5.514 ( -1.902 -2.338 -0.211) 3.022 5.547 ( -2.409 -1.674 -2.406) 3.794 5.586 ( -3.563 -4.972 -4.392) 7.530 5.924 ( -0.954 1.335 0.211) 1.654 5.947 ( -1.678 -0.927 -0.114) 1.921 6.258 ( 2.843 1.196 1.356) 3.370 6.275 ( 2.984 -0.468 1.538) 3.390 6.332 ( 1.055 1.966 -0.312) 2.253 6.367 ( 0.533 -1.505 -0.676) 1.733 =================== 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 3/18816 10.0 586.865 633.117 427.833 0.000 65.796 0.000 3/18816 20.0 72.936 115.255 69.641 0.000 3.823 0.000 3/18816 30.0 26.983 45.872 27.811 0.000 0.816 0.000 3/18816 40.0 14.805 25.321 15.682 0.000 0.351 0.000 3/18816 50.0 9.797 16.675 10.525 0.000 0.206 0.000 3/18816 60.0 7.222 12.226 7.833 0.000 0.141 0.000 3/18816 70.0 5.698 9.607 6.226 0.000 0.104 0.000 3/18816 80.0 4.706 7.910 5.172 0.000 0.082 0.000 3/18816 90.0 4.012 6.730 4.431 0.000 0.066 0.000 3/18816 100.0 3.502 5.864 3.882 0.000 0.055 0.000 3/18816 110.0 3.110 5.202 3.459 0.000 0.047 0.000 3/18816 120.0 2.800 4.680 3.123 0.000 0.041 0.000 3/18816 130.0 2.548 4.256 2.849 0.000 0.036 0.000 3/18816 140.0 2.340 3.906 2.621 0.000 0.032 0.000 3/18816 150.0 2.164 3.610 2.428 0.000 0.029 0.000 3/18816 160.0 2.014 3.358 2.262 0.000 0.026 0.000 3/18816 170.0 1.883 3.140 2.118 0.000 0.024 0.000 3/18816 180.0 1.770 2.950 1.992 0.000 0.022 0.000 3/18816 190.0 1.669 2.782 1.881 0.000 0.021 0.000 3/18816 200.0 1.580 2.632 1.782 0.000 0.019 0.000 3/18816 210.0 1.500 2.499 1.693 0.000 0.018 0.000 3/18816 220.0 1.428 2.378 1.612 0.000 0.017 0.000 3/18816 230.0 1.362 2.269 1.539 0.000 0.016 0.000 3/18816 240.0 1.303 2.170 1.473 0.000 0.015 0.000 3/18816 250.0 1.248 2.079 1.412 0.000 0.014 0.000 3/18816 260.0 1.198 1.996 1.356 0.000 0.014 0.000 3/18816 270.0 1.152 1.919 1.304 0.000 0.013 0.000 3/18816 280.0 1.110 1.848 1.257 0.000 0.012 0.000 3/18816 290.0 1.070 1.782 1.212 0.000 0.012 0.000 3/18816 300.0 1.033 1.721 1.171 0.000 0.011 0.000 3/18816 310.0 0.999 1.664 1.132 0.000 0.011 0.000 3/18816 320.0 0.967 1.610 1.096 0.000 0.010 0.000 3/18816 330.0 0.937 1.560 1.062 0.000 0.010 0.000 3/18816 340.0 0.909 1.513 1.031 0.000 0.010 0.000 3/18816 350.0 0.882 1.469 1.001 0.000 0.009 0.000 3/18816 360.0 0.857 1.427 0.973 0.000 0.009 0.000 3/18816 370.0 0.834 1.388 0.946 0.000 0.009 0.000 3/18816 380.0 0.812 1.351 0.921 0.000 0.009 0.000 3/18816 390.0 0.790 1.315 0.897 0.000 0.008 0.000 3/18816 400.0 0.770 1.282 0.874 0.000 0.008 0.000 3/18816 410.0 0.751 1.250 0.853 0.000 0.008 0.000 3/18816 420.0 0.733 1.220 0.832 0.000 0.008 0.000 3/18816 430.0 0.716 1.191 0.813 0.000 0.007 0.000 3/18816 440.0 0.699 1.164 0.794 0.000 0.007 0.000 3/18816 450.0 0.684 1.138 0.776 0.000 0.007 0.000 3/18816 460.0 0.669 1.113 0.759 0.000 0.007 0.000 3/18816 470.0 0.654 1.089 0.743 0.000 0.007 0.000 3/18816 480.0 0.640 1.066 0.727 0.000 0.007 0.000 3/18816 490.0 0.627 1.044 0.712 0.000 0.006 0.000 3/18816 500.0 0.615 1.023 0.698 0.000 0.006 0.000 3/18816 510.0 0.602 1.003 0.684 0.000 0.006 0.000 3/18816 520.0 0.591 0.983 0.671 0.000 0.006 0.000 3/18816 530.0 0.579 0.964 0.658 0.000 0.006 0.000 3/18816 540.0 0.569 0.946 0.646 0.000 0.006 0.000 3/18816 550.0 0.558 0.929 0.634 0.000 0.006 0.000 3/18816 560.0 0.548 0.912 0.623 0.000 0.006 0.000 3/18816 570.0 0.539 0.896 0.612 0.000 0.005 0.000 3/18816 580.0 0.529 0.881 0.601 0.000 0.005 0.000 3/18816 590.0 0.520 0.866 0.591 0.000 0.005 0.000 3/18816 600.0 0.511 0.851 0.581 0.000 0.005 0.000 3/18816 610.0 0.503 0.837 0.572 0.000 0.005 0.000 3/18816 620.0 0.495 0.823 0.563 0.000 0.005 0.000 3/18816 630.0 0.487 0.810 0.554 0.000 0.005 0.000 3/18816 640.0 0.479 0.798 0.545 0.000 0.005 0.000 3/18816 650.0 0.472 0.785 0.536 0.000 0.005 0.000 3/18816 660.0 0.465 0.773 0.528 0.000 0.005 0.000 3/18816 670.0 0.458 0.762 0.520 0.000 0.005 0.000 3/18816 680.0 0.451 0.750 0.513 0.000 0.004 0.000 3/18816 690.0 0.444 0.740 0.505 0.000 0.004 0.000 3/18816 700.0 0.438 0.729 0.498 0.000 0.004 0.000 3/18816 710.0 0.432 0.719 0.491 0.000 0.004 0.000 3/18816 720.0 0.426 0.709 0.484 0.000 0.004 0.000 3/18816 730.0 0.420 0.699 0.478 0.000 0.004 0.000 3/18816 740.0 0.414 0.689 0.471 0.000 0.004 0.000 3/18816 750.0 0.409 0.680 0.465 0.000 0.004 0.000 3/18816 760.0 0.403 0.671 0.459 0.000 0.004 0.000 3/18816 770.0 0.398 0.662 0.453 0.000 0.004 0.000 3/18816 780.0 0.393 0.654 0.447 0.000 0.004 0.000 3/18816 790.0 0.388 0.646 0.441 0.000 0.004 0.000 3/18816 800.0 0.383 0.637 0.436 0.000 0.004 0.000 3/18816 810.0 0.378 0.630 0.430 0.000 0.004 0.000 3/18816 820.0 0.374 0.622 0.425 0.000 0.004 0.000 3/18816 830.0 0.369 0.614 0.420 0.000 0.004 0.000 3/18816 840.0 0.365 0.607 0.415 0.000 0.004 0.000 3/18816 850.0 0.360 0.600 0.410 0.000 0.004 0.000 3/18816 860.0 0.356 0.593 0.405 0.000 0.003 0.000 3/18816 870.0 0.352 0.586 0.401 0.000 0.003 0.000 3/18816 880.0 0.348 0.579 0.396 0.000 0.003 0.000 3/18816 890.0 0.344 0.573 0.392 0.000 0.003 0.000 3/18816 900.0 0.340 0.566 0.387 0.000 0.003 0.000 3/18816 910.0 0.337 0.560 0.383 0.000 0.003 0.000 3/18816 920.0 0.333 0.554 0.379 0.000 0.003 0.000 3/18816 930.0 0.329 0.548 0.375 0.000 0.003 0.000 3/18816 940.0 0.326 0.542 0.371 0.000 0.003 0.000 3/18816 950.0 0.322 0.537 0.367 0.000 0.003 0.000 3/18816 960.0 0.319 0.531 0.363 0.000 0.003 0.000 3/18816 970.0 0.316 0.526 0.359 0.000 0.003 0.000 3/18816 980.0 0.313 0.520 0.356 0.000 0.003 0.000 3/18816 990.0 0.309 0.515 0.352 0.000 0.003 0.000 3/18816 1000.0 0.306 0.510 0.349 0.000 0.003 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:15:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|