----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:15:03]------------------------- 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: Pna2_1 (33) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.412329200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.020032640000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.229268130000000 Atomic positions (fractional): *1 O 0.87676284567323 0.32749534673186 0.92803312440431 15.999 2 O 0.12323715432677 0.67250465326814 0.42803312440431 15.999 3 O 0.62323715432677 0.82749534673186 0.42803312440431 15.999 4 O 0.37676284567322 0.17250465326814 0.92803312440431 15.999 *5 O 0.53339040852812 0.42114123167480 0.33148921107414 15.999 6 O 0.03339040852812 0.07885876832520 0.33148921107414 15.999 7 O 0.96660959147188 0.92114123167480 0.83148921107414 15.999 8 O 0.46660959147188 0.57885876832520 0.83148921107414 15.999 *9 Na 0.43148123923928 0.12257925358239 0.48460522339679 22.990 10 Na 0.06851876076072 0.62257925358239 0.98460522339679 22.990 11 Na 0.56851876076073 0.87742074641761 0.98460522339679 22.990 12 Na 0.93148123923927 0.37742074641761 0.48460522339679 22.990 *13 Al 0.56185401892300 0.37410371260388 0.00027245112476 26.982 14 Al 0.43814598107700 0.62589628739612 0.50027245112476 26.982 15 Al 0.93814598107700 0.87410371260388 0.50027245112476 26.982 16 Al 0.06185401892300 0.12589628739612 0.00027245112476 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.412329200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.020032640000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.229268130000000 Atomic positions (fractional): *1 O 0.87676284567323 0.32749534673186 0.92803312440431 15.999 > 1 2 O 0.12323715432677 0.67250465326814 0.42803312440431 15.999 > 2 3 O 0.62323715432677 0.82749534673186 0.42803312440431 15.999 > 3 4 O 0.37676284567322 0.17250465326814 0.92803312440431 15.999 > 4 *5 O 0.53339040852812 0.42114123167480 0.33148921107414 15.999 > 5 6 O 0.03339040852812 0.07885876832520 0.33148921107414 15.999 > 6 7 O 0.96660959147188 0.92114123167480 0.83148921107414 15.999 > 7 8 O 0.46660959147188 0.57885876832520 0.83148921107414 15.999 > 8 *9 Na 0.43148123923928 0.12257925358239 0.48460522339679 22.990 > 9 10 Na 0.06851876076072 0.62257925358239 0.98460522339679 22.990 > 10 11 Na 0.56851876076073 0.87742074641761 0.98460522339679 22.990 > 11 12 Na 0.93148123923927 0.37742074641761 0.48460522339679 22.990 > 12 *13 Al 0.56185401892300 0.37410371260388 0.00027245112476 26.982 > 13 14 Al 0.43814598107700 0.62589628739612 0.50027245112476 26.982 > 14 15 Al 0.93814598107700 0.87410371260388 0.50027245112476 26.982 > 15 16 Al 0.06185401892300 0.12589628739612 0.00027245112476 26.982 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.824658400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.040065280000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.458536260000001 Atomic positions (fractional): *1 O 0.43838142283661 0.16374767336593 0.46401656220216 15.999 > 1 2 O 0.93838142283661 0.16374767336593 0.46401656220216 15.999 > 1 3 O 0.43838142283661 0.66374767336593 0.46401656220216 15.999 > 1 4 O 0.93838142283661 0.66374767336593 0.46401656220216 15.999 > 1 5 O 0.43838142283661 0.16374767336593 0.96401656220216 15.999 > 1 6 O 0.93838142283661 0.16374767336593 0.96401656220216 15.999 > 1 7 O 0.43838142283661 0.66374767336593 0.96401656220216 15.999 > 1 8 O 0.93838142283661 0.66374767336593 0.96401656220216 15.999 > 1 9 O 0.06161857716339 0.33625232663407 0.21401656220216 15.999 > 2 10 O 0.56161857716339 0.33625232663407 0.21401656220216 15.999 > 2 11 O 0.06161857716339 0.83625232663407 0.21401656220216 15.999 > 2 12 O 0.56161857716339 0.83625232663407 0.21401656220216 15.999 > 2 13 O 0.06161857716339 0.33625232663407 0.71401656220216 15.999 > 2 14 O 0.56161857716339 0.33625232663407 0.71401656220216 15.999 > 2 15 O 0.06161857716339 0.83625232663407 0.71401656220216 15.999 > 2 16 O 0.56161857716339 0.83625232663407 0.71401656220216 15.999 > 2 17 O 0.31161857716339 0.41374767336593 0.21401656220216 15.999 > 3 18 O 0.81161857716339 0.41374767336593 0.21401656220216 15.999 > 3 19 O 0.31161857716339 0.91374767336593 0.21401656220216 15.999 > 3 20 O 0.81161857716339 0.91374767336593 0.21401656220216 15.999 > 3 21 O 0.31161857716339 0.41374767336593 0.71401656220216 15.999 > 3 22 O 0.81161857716339 0.41374767336593 0.71401656220216 15.999 > 3 23 O 0.31161857716339 0.91374767336593 0.71401656220216 15.999 > 3 24 O 0.81161857716339 0.91374767336593 0.71401656220216 15.999 > 3 25 O 0.18838142283661 0.08625232663407 0.46401656220216 15.999 > 4 26 O 0.68838142283661 0.08625232663407 0.46401656220216 15.999 > 4 27 O 0.18838142283661 0.58625232663407 0.46401656220216 15.999 > 4 28 O 0.68838142283661 0.58625232663407 0.46401656220216 15.999 > 4 29 O 0.18838142283661 0.08625232663407 0.96401656220216 15.999 > 4 30 O 0.68838142283661 0.08625232663407 0.96401656220216 15.999 > 4 31 O 0.18838142283661 0.58625232663407 0.96401656220216 15.999 > 4 32 O 0.68838142283661 0.58625232663407 0.96401656220216 15.999 > 4 *33 O 0.26669520426406 0.21057061583740 0.16574460553707 15.999 > 5 34 O 0.76669520426406 0.21057061583740 0.16574460553707 15.999 > 5 35 O 0.26669520426406 0.71057061583740 0.16574460553707 15.999 > 5 36 O 0.76669520426406 0.71057061583740 0.16574460553707 15.999 > 5 37 O 0.26669520426406 0.21057061583740 0.66574460553707 15.999 > 5 38 O 0.76669520426406 0.21057061583740 0.66574460553707 15.999 > 5 39 O 0.26669520426406 0.71057061583740 0.66574460553707 15.999 > 5 40 O 0.76669520426406 0.71057061583740 0.66574460553707 15.999 > 5 41 O 0.01669520426406 0.03942938416260 0.16574460553707 15.999 > 6 42 O 0.51669520426406 0.03942938416260 0.16574460553707 15.999 > 6 43 O 0.01669520426406 0.53942938416260 0.16574460553707 15.999 > 6 44 O 0.51669520426406 0.53942938416260 0.16574460553707 15.999 > 6 45 O 0.01669520426406 0.03942938416260 0.66574460553707 15.999 > 6 46 O 0.51669520426406 0.03942938416260 0.66574460553707 15.999 > 6 47 O 0.01669520426406 0.53942938416260 0.66574460553707 15.999 > 6 48 O 0.51669520426406 0.53942938416260 0.66574460553707 15.999 > 6 49 O 0.48330479573594 0.46057061583740 0.41574460553707 15.999 > 7 50 O 0.98330479573594 0.46057061583740 0.41574460553707 15.999 > 7 51 O 0.48330479573594 0.96057061583740 0.41574460553707 15.999 > 7 52 O 0.98330479573594 0.96057061583740 0.41574460553707 15.999 > 7 53 O 0.48330479573594 0.46057061583740 0.91574460553707 15.999 > 7 54 O 0.98330479573594 0.46057061583740 0.91574460553707 15.999 > 7 55 O 0.48330479573594 0.96057061583740 0.91574460553707 15.999 > 7 56 O 0.98330479573594 0.96057061583740 0.91574460553707 15.999 > 7 57 O 0.23330479573594 0.28942938416260 0.41574460553707 15.999 > 8 58 O 0.73330479573594 0.28942938416260 0.41574460553707 15.999 > 8 59 O 0.23330479573594 0.78942938416260 0.41574460553707 15.999 > 8 60 O 0.73330479573594 0.78942938416260 0.41574460553707 15.999 > 8 61 O 0.23330479573594 0.28942938416260 0.91574460553707 15.999 > 8 62 O 0.73330479573594 0.28942938416260 0.91574460553707 15.999 > 8 63 O 0.23330479573594 0.78942938416260 0.91574460553707 15.999 > 8 64 O 0.73330479573594 0.78942938416260 0.91574460553707 15.999 > 8 *65 Na 0.21574061961964 0.06128962679119 0.24230261169839 22.990 > 9 66 Na 0.71574061961964 0.06128962679119 0.24230261169839 22.990 > 9 67 Na 0.21574061961964 0.56128962679119 0.24230261169839 22.990 > 9 68 Na 0.71574061961964 0.56128962679119 0.24230261169839 22.990 > 9 69 Na 0.21574061961964 0.06128962679119 0.74230261169839 22.990 > 9 70 Na 0.71574061961964 0.06128962679119 0.74230261169839 22.990 > 9 71 Na 0.21574061961964 0.56128962679119 0.74230261169839 22.990 > 9 72 Na 0.71574061961964 0.56128962679119 0.74230261169839 22.990 > 9 73 Na 0.03425938038036 0.31128962679119 0.49230261169839 22.990 > 10 74 Na 0.53425938038036 0.31128962679119 0.49230261169839 22.990 > 10 75 Na 0.03425938038036 0.81128962679119 0.49230261169839 22.990 > 10 76 Na 0.53425938038036 0.81128962679119 0.49230261169839 22.990 > 10 77 Na 0.03425938038036 0.31128962679119 0.99230261169839 22.990 > 10 78 Na 0.53425938038036 0.31128962679119 0.99230261169839 22.990 > 10 79 Na 0.03425938038036 0.81128962679119 0.99230261169839 22.990 > 10 80 Na 0.53425938038036 0.81128962679119 0.99230261169839 22.990 > 10 81 Na 0.28425938038036 0.43871037320881 0.49230261169839 22.990 > 11 82 Na 0.78425938038036 0.43871037320881 0.49230261169839 22.990 > 11 83 Na 0.28425938038036 0.93871037320881 0.49230261169839 22.990 > 11 84 Na 0.78425938038036 0.93871037320881 0.49230261169839 22.990 > 11 85 Na 0.28425938038036 0.43871037320881 0.99230261169839 22.990 > 11 86 Na 0.78425938038036 0.43871037320881 0.99230261169839 22.990 > 11 87 Na 0.28425938038036 0.93871037320881 0.99230261169839 22.990 > 11 88 Na 0.78425938038036 0.93871037320881 0.99230261169839 22.990 > 11 89 Na 0.46574061961964 0.18871037320881 0.24230261169839 22.990 > 12 90 Na 0.96574061961964 0.18871037320881 0.24230261169839 22.990 > 12 91 Na 0.46574061961964 0.68871037320881 0.24230261169839 22.990 > 12 92 Na 0.96574061961964 0.68871037320881 0.24230261169839 22.990 > 12 93 Na 0.46574061961964 0.18871037320881 0.74230261169839 22.990 > 12 94 Na 0.96574061961964 0.18871037320881 0.74230261169839 22.990 > 12 95 Na 0.46574061961964 0.68871037320881 0.74230261169839 22.990 > 12 96 Na 0.96574061961964 0.68871037320881 0.74230261169839 22.990 > 12 *97 Al 0.28092700946150 0.18705185630194 0.00013622556238 26.982 > 13 98 Al 0.78092700946150 0.18705185630194 0.00013622556238 26.982 > 13 99 Al 0.28092700946150 0.68705185630194 0.00013622556238 26.982 > 13 100 Al 0.78092700946150 0.68705185630194 0.00013622556238 26.982 > 13 101 Al 0.28092700946150 0.18705185630194 0.50013622556238 26.982 > 13 102 Al 0.78092700946150 0.18705185630194 0.50013622556238 26.982 > 13 103 Al 0.28092700946150 0.68705185630194 0.50013622556238 26.982 > 13 104 Al 0.78092700946150 0.68705185630194 0.50013622556238 26.982 > 13 105 Al 0.21907299053850 0.31294814369806 0.25013622556238 26.982 > 14 106 Al 0.71907299053850 0.31294814369806 0.25013622556238 26.982 > 14 107 Al 0.21907299053850 0.81294814369806 0.25013622556238 26.982 > 14 108 Al 0.71907299053850 0.81294814369806 0.25013622556238 26.982 > 14 109 Al 0.21907299053850 0.31294814369806 0.75013622556238 26.982 > 14 110 Al 0.71907299053850 0.31294814369806 0.75013622556238 26.982 > 14 111 Al 0.21907299053850 0.81294814369806 0.75013622556238 26.982 > 14 112 Al 0.71907299053850 0.81294814369806 0.75013622556238 26.982 > 14 113 Al 0.46907299053850 0.43705185630194 0.25013622556238 26.982 > 15 114 Al 0.96907299053850 0.43705185630194 0.25013622556238 26.982 > 15 115 Al 0.46907299053850 0.93705185630194 0.25013622556238 26.982 > 15 116 Al 0.96907299053850 0.93705185630194 0.25013622556238 26.982 > 15 117 Al 0.46907299053850 0.43705185630194 0.75013622556238 26.982 > 15 118 Al 0.96907299053850 0.43705185630194 0.75013622556238 26.982 > 15 119 Al 0.46907299053850 0.93705185630194 0.75013622556238 26.982 > 15 120 Al 0.96907299053850 0.93705185630194 0.75013622556238 26.982 > 15 121 Al 0.03092700946150 0.06294814369806 0.00013622556238 26.982 > 16 122 Al 0.53092700946150 0.06294814369806 0.00013622556238 26.982 > 16 123 Al 0.03092700946150 0.56294814369806 0.00013622556238 26.982 > 16 124 Al 0.53092700946150 0.56294814369806 0.00013622556238 26.982 > 16 125 Al 0.03092700946150 0.06294814369806 0.50013622556238 26.982 > 16 126 Al 0.53092700946150 0.06294814369806 0.50013622556238 26.982 > 16 127 Al 0.03092700946150 0.56294814369806 0.50013622556238 26.982 > 16 128 Al 0.53092700946150 0.56294814369806 0.50013622556238 26.982 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6685379 0.0000000 0.0000000 0.0000000 2.6177281 0.0000000 0.0000000 0.0000000 2.6629979 -------------------------- Born effective charges -------------------------- 1 O -2.0954561 0.4020450 0.0387682 0.3987923 -1.6988991 0.0683835 0.0211066 0.0678722 -1.4014781 2 O -2.0954561 0.4020450 -0.0387682 0.3987923 -1.6988991 -0.0683835 -0.0211066 -0.0678722 -1.4014781 3 O -2.0954561 -0.4020450 -0.0387682 -0.3987923 -1.6988991 0.0683835 -0.0211066 0.0678722 -1.4014781 4 O -2.0954561 -0.4020450 0.0387682 -0.3987923 -1.6988991 -0.0683835 0.0211066 -0.0678722 -1.4014781 5 O -1.3839982 0.0884350 0.1121767 0.1578105 -1.7053575 -0.3887493 0.1206314 -0.3866087 -2.0865127 6 O -1.3839982 -0.0884350 0.1121767 -0.1578105 -1.7053575 0.3887493 0.1206314 0.3866087 -2.0865127 7 O -1.3839982 -0.0884350 -0.1121767 -0.1578105 -1.7053575 -0.3887493 -0.1206314 -0.3866087 -2.0865127 8 O -1.3839982 0.0884350 -0.1121767 0.1578105 -1.7053575 0.3887493 -0.1206314 0.3866087 -2.0865127 9 Na 1.0410550 0.0088205 0.0098320 0.0122677 1.0445720 -0.0102365 0.0053151 -0.0092074 1.0715504 10 Na 1.0410550 -0.0088205 -0.0098320 -0.0122677 1.0445720 -0.0102365 -0.0053151 -0.0092074 1.0715504 11 Na 1.0410550 0.0088205 -0.0098320 0.0122677 1.0445720 0.0102365 -0.0053151 0.0092074 1.0715504 12 Na 1.0410550 -0.0088205 0.0098320 -0.0122677 1.0445720 0.0102365 0.0053151 0.0092074 1.0715504 13 Al 2.4383993 0.0579082 -0.0375918 -0.1367949 2.3596846 0.0945510 0.0319085 -0.1140620 2.4164405 14 Al 2.4383993 0.0579082 0.0375918 -0.1367949 2.3596846 -0.0945510 -0.0319085 0.1140620 2.4164405 15 Al 2.4383993 -0.0579082 0.0375918 0.1367949 2.3596846 0.0945510 -0.0319085 -0.1140620 2.4164405 16 Al 2.4383993 -0.0579082 -0.0375918 0.1367949 2.3596846 -0.0945510 0.0319085 0.1140620 2.4164405 ---------------------------------------------------------------------------- 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: 2352 Number of blocks in projector: 2352 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) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (2352, 2316), data: False |-- (272, 268), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.019 Solver_block: 100 / 480 - Time: 0.983 Solver_block: 200 / 480 - Time: 1.702 Solver_block: 300 / 480 - Time: 1.111 Solver_block: 400 / 480 - Time: 1.649 Solver_block: 480 / 480 - Time: 1.362 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.245 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) 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: 2352 Number of blocks in projector: 2352 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) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 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: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (2352, 2316), data: False |-- (272, 268), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:15:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:15:49]------------------------- 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.412329200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.020032640000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.229268130000000 Atomic positions (fractional): 1 O 0.87676284567323 0.32749534673186 0.92803312440431 15.999 2 O 0.12323715432677 0.67250465326814 0.42803312440431 15.999 3 O 0.62323715432677 0.82749534673186 0.42803312440431 15.999 4 O 0.37676284567322 0.17250465326814 0.92803312440431 15.999 5 O 0.53339040852812 0.42114123167480 0.33148921107414 15.999 6 O 0.03339040852812 0.07885876832520 0.33148921107414 15.999 7 O 0.96660959147188 0.92114123167480 0.83148921107414 15.999 8 O 0.46660959147188 0.57885876832520 0.83148921107414 15.999 9 Na 0.43148123923928 0.12257925358239 0.48460522339679 22.990 10 Na 0.06851876076072 0.62257925358239 0.98460522339679 22.990 11 Na 0.56851876076073 0.87742074641761 0.98460522339679 22.990 12 Na 0.93148123923927 0.37742074641761 0.48460522339679 22.990 13 Al 0.56185401892300 0.37410371260388 0.00027245112476 26.982 14 Al 0.43814598107700 0.62589628739612 0.50027245112476 26.982 15 Al 0.93814598107700 0.87410371260388 0.50027245112476 26.982 16 Al 0.06185401892300 0.12589628739612 0.00027245112476 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.824658400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.040065280000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.458536260000001 Atomic positions (fractional): 1 O 0.43838142283661 0.16374767336593 0.46401656220216 15.999 > 1 2 O 0.93838142283661 0.16374767336593 0.46401656220216 15.999 > 1 3 O 0.43838142283661 0.66374767336593 0.46401656220216 15.999 > 1 4 O 0.93838142283661 0.66374767336593 0.46401656220216 15.999 > 1 5 O 0.43838142283661 0.16374767336593 0.96401656220216 15.999 > 1 6 O 0.93838142283661 0.16374767336593 0.96401656220216 15.999 > 1 7 O 0.43838142283661 0.66374767336593 0.96401656220216 15.999 > 1 8 O 0.93838142283661 0.66374767336593 0.96401656220216 15.999 > 1 9 O 0.06161857716339 0.33625232663407 0.21401656220216 15.999 > 9 10 O 0.56161857716339 0.33625232663407 0.21401656220216 15.999 > 9 11 O 0.06161857716339 0.83625232663407 0.21401656220216 15.999 > 9 12 O 0.56161857716339 0.83625232663407 0.21401656220216 15.999 > 9 13 O 0.06161857716339 0.33625232663407 0.71401656220216 15.999 > 9 14 O 0.56161857716339 0.33625232663407 0.71401656220216 15.999 > 9 15 O 0.06161857716339 0.83625232663407 0.71401656220216 15.999 > 9 16 O 0.56161857716339 0.83625232663407 0.71401656220216 15.999 > 9 17 O 0.31161857716339 0.41374767336593 0.21401656220216 15.999 > 17 18 O 0.81161857716339 0.41374767336593 0.21401656220216 15.999 > 17 19 O 0.31161857716339 0.91374767336593 0.21401656220216 15.999 > 17 20 O 0.81161857716339 0.91374767336593 0.21401656220216 15.999 > 17 21 O 0.31161857716339 0.41374767336593 0.71401656220216 15.999 > 17 22 O 0.81161857716339 0.41374767336593 0.71401656220216 15.999 > 17 23 O 0.31161857716339 0.91374767336593 0.71401656220216 15.999 > 17 24 O 0.81161857716339 0.91374767336593 0.71401656220216 15.999 > 17 25 O 0.18838142283661 0.08625232663407 0.46401656220216 15.999 > 25 26 O 0.68838142283661 0.08625232663407 0.46401656220216 15.999 > 25 27 O 0.18838142283661 0.58625232663407 0.46401656220216 15.999 > 25 28 O 0.68838142283661 0.58625232663407 0.46401656220216 15.999 > 25 29 O 0.18838142283661 0.08625232663407 0.96401656220216 15.999 > 25 30 O 0.68838142283661 0.08625232663407 0.96401656220216 15.999 > 25 31 O 0.18838142283661 0.58625232663407 0.96401656220216 15.999 > 25 32 O 0.68838142283661 0.58625232663407 0.96401656220216 15.999 > 25 33 O 0.26669520426406 0.21057061583740 0.16574460553707 15.999 > 33 34 O 0.76669520426406 0.21057061583740 0.16574460553707 15.999 > 33 35 O 0.26669520426406 0.71057061583740 0.16574460553707 15.999 > 33 36 O 0.76669520426406 0.71057061583740 0.16574460553707 15.999 > 33 37 O 0.26669520426406 0.21057061583740 0.66574460553707 15.999 > 33 38 O 0.76669520426406 0.21057061583740 0.66574460553707 15.999 > 33 39 O 0.26669520426406 0.71057061583740 0.66574460553707 15.999 > 33 40 O 0.76669520426406 0.71057061583740 0.66574460553707 15.999 > 33 41 O 0.01669520426406 0.03942938416260 0.16574460553707 15.999 > 41 42 O 0.51669520426406 0.03942938416260 0.16574460553707 15.999 > 41 43 O 0.01669520426406 0.53942938416260 0.16574460553707 15.999 > 41 44 O 0.51669520426406 0.53942938416260 0.16574460553707 15.999 > 41 45 O 0.01669520426406 0.03942938416260 0.66574460553707 15.999 > 41 46 O 0.51669520426406 0.03942938416260 0.66574460553707 15.999 > 41 47 O 0.01669520426406 0.53942938416260 0.66574460553707 15.999 > 41 48 O 0.51669520426406 0.53942938416260 0.66574460553707 15.999 > 41 49 O 0.48330479573594 0.46057061583740 0.41574460553707 15.999 > 49 50 O 0.98330479573594 0.46057061583740 0.41574460553707 15.999 > 49 51 O 0.48330479573594 0.96057061583740 0.41574460553707 15.999 > 49 52 O 0.98330479573594 0.96057061583740 0.41574460553707 15.999 > 49 53 O 0.48330479573594 0.46057061583740 0.91574460553707 15.999 > 49 54 O 0.98330479573594 0.46057061583740 0.91574460553707 15.999 > 49 55 O 0.48330479573594 0.96057061583740 0.91574460553707 15.999 > 49 56 O 0.98330479573594 0.96057061583740 0.91574460553707 15.999 > 49 57 O 0.23330479573594 0.28942938416260 0.41574460553707 15.999 > 57 58 O 0.73330479573594 0.28942938416260 0.41574460553707 15.999 > 57 59 O 0.23330479573594 0.78942938416260 0.41574460553707 15.999 > 57 60 O 0.73330479573594 0.78942938416260 0.41574460553707 15.999 > 57 61 O 0.23330479573594 0.28942938416260 0.91574460553707 15.999 > 57 62 O 0.73330479573594 0.28942938416260 0.91574460553707 15.999 > 57 63 O 0.23330479573594 0.78942938416260 0.91574460553707 15.999 > 57 64 O 0.73330479573594 0.78942938416260 0.91574460553707 15.999 > 57 65 Na 0.21574061961964 0.06128962679119 0.24230261169839 22.990 > 65 66 Na 0.71574061961964 0.06128962679119 0.24230261169839 22.990 > 65 67 Na 0.21574061961964 0.56128962679119 0.24230261169839 22.990 > 65 68 Na 0.71574061961964 0.56128962679119 0.24230261169839 22.990 > 65 69 Na 0.21574061961964 0.06128962679119 0.74230261169839 22.990 > 65 70 Na 0.71574061961964 0.06128962679119 0.74230261169839 22.990 > 65 71 Na 0.21574061961964 0.56128962679119 0.74230261169839 22.990 > 65 72 Na 0.71574061961964 0.56128962679119 0.74230261169839 22.990 > 65 73 Na 0.03425938038036 0.31128962679119 0.49230261169839 22.990 > 73 74 Na 0.53425938038036 0.31128962679119 0.49230261169839 22.990 > 73 75 Na 0.03425938038036 0.81128962679119 0.49230261169839 22.990 > 73 76 Na 0.53425938038036 0.81128962679119 0.49230261169839 22.990 > 73 77 Na 0.03425938038036 0.31128962679119 0.99230261169839 22.990 > 73 78 Na 0.53425938038036 0.31128962679119 0.99230261169839 22.990 > 73 79 Na 0.03425938038036 0.81128962679119 0.99230261169839 22.990 > 73 80 Na 0.53425938038036 0.81128962679119 0.99230261169839 22.990 > 73 81 Na 0.28425938038036 0.43871037320881 0.49230261169839 22.990 > 81 82 Na 0.78425938038036 0.43871037320881 0.49230261169839 22.990 > 81 83 Na 0.28425938038036 0.93871037320881 0.49230261169839 22.990 > 81 84 Na 0.78425938038036 0.93871037320881 0.49230261169839 22.990 > 81 85 Na 0.28425938038036 0.43871037320881 0.99230261169839 22.990 > 81 86 Na 0.78425938038036 0.43871037320881 0.99230261169839 22.990 > 81 87 Na 0.28425938038036 0.93871037320881 0.99230261169839 22.990 > 81 88 Na 0.78425938038036 0.93871037320881 0.99230261169839 22.990 > 81 89 Na 0.46574061961964 0.18871037320881 0.24230261169839 22.990 > 89 90 Na 0.96574061961964 0.18871037320881 0.24230261169839 22.990 > 89 91 Na 0.46574061961964 0.68871037320881 0.24230261169839 22.990 > 89 92 Na 0.96574061961964 0.68871037320881 0.24230261169839 22.990 > 89 93 Na 0.46574061961964 0.18871037320881 0.74230261169839 22.990 > 89 94 Na 0.96574061961964 0.18871037320881 0.74230261169839 22.990 > 89 95 Na 0.46574061961964 0.68871037320881 0.74230261169839 22.990 > 89 96 Na 0.96574061961964 0.68871037320881 0.74230261169839 22.990 > 89 97 Al 0.28092700946150 0.18705185630194 0.00013622556238 26.982 > 97 98 Al 0.78092700946150 0.18705185630194 0.00013622556238 26.982 > 97 99 Al 0.28092700946150 0.68705185630194 0.00013622556238 26.982 > 97 100 Al 0.78092700946150 0.68705185630194 0.00013622556238 26.982 > 97 101 Al 0.28092700946150 0.18705185630194 0.50013622556238 26.982 > 97 102 Al 0.78092700946150 0.18705185630194 0.50013622556238 26.982 > 97 103 Al 0.28092700946150 0.68705185630194 0.50013622556238 26.982 > 97 104 Al 0.78092700946150 0.68705185630194 0.50013622556238 26.982 > 97 105 Al 0.21907299053850 0.31294814369806 0.25013622556238 26.982 > 105 106 Al 0.71907299053850 0.31294814369806 0.25013622556238 26.982 > 105 107 Al 0.21907299053850 0.81294814369806 0.25013622556238 26.982 > 105 108 Al 0.71907299053850 0.81294814369806 0.25013622556238 26.982 > 105 109 Al 0.21907299053850 0.31294814369806 0.75013622556238 26.982 > 105 110 Al 0.71907299053850 0.31294814369806 0.75013622556238 26.982 > 105 111 Al 0.21907299053850 0.81294814369806 0.75013622556238 26.982 > 105 112 Al 0.71907299053850 0.81294814369806 0.75013622556238 26.982 > 105 113 Al 0.46907299053850 0.43705185630194 0.25013622556238 26.982 > 113 114 Al 0.96907299053850 0.43705185630194 0.25013622556238 26.982 > 113 115 Al 0.46907299053850 0.93705185630194 0.25013622556238 26.982 > 113 116 Al 0.96907299053850 0.93705185630194 0.25013622556238 26.982 > 113 117 Al 0.46907299053850 0.43705185630194 0.75013622556238 26.982 > 113 118 Al 0.96907299053850 0.43705185630194 0.75013622556238 26.982 > 113 119 Al 0.46907299053850 0.93705185630194 0.75013622556238 26.982 > 113 120 Al 0.96907299053850 0.93705185630194 0.75013622556238 26.982 > 113 121 Al 0.03092700946150 0.06294814369806 0.00013622556238 26.982 > 121 122 Al 0.53092700946150 0.06294814369806 0.00013622556238 26.982 > 121 123 Al 0.03092700946150 0.56294814369806 0.00013622556238 26.982 > 121 124 Al 0.53092700946150 0.56294814369806 0.00013622556238 26.982 > 121 125 Al 0.03092700946150 0.06294814369806 0.50013622556238 26.982 > 121 126 Al 0.53092700946150 0.06294814369806 0.50013622556238 26.982 > 121 127 Al 0.03092700946150 0.56294814369806 0.50013622556238 26.982 > 121 128 Al 0.53092700946150 0.56294814369806 0.50013622556238 26.982 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6685379 0.0000000 0.0000000 0.0000000 2.6177281 0.0000000 0.0000000 0.0000000 2.6629979 -------------------------- Born effective charges -------------------------- 1 O -2.0954561 0.4020450 0.0387682 0.3987923 -1.6988991 0.0683835 0.0211066 0.0678722 -1.4014781 2 O -2.0954561 0.4020450 -0.0387682 0.3987923 -1.6988991 -0.0683835 -0.0211066 -0.0678722 -1.4014781 3 O -2.0954561 -0.4020450 -0.0387682 -0.3987923 -1.6988991 0.0683835 -0.0211066 0.0678722 -1.4014781 4 O -2.0954561 -0.4020450 0.0387682 -0.3987923 -1.6988991 -0.0683835 0.0211066 -0.0678722 -1.4014781 5 O -1.3839982 0.0884350 0.1121767 0.1578105 -1.7053575 -0.3887493 0.1206314 -0.3866087 -2.0865127 6 O -1.3839982 -0.0884350 0.1121767 -0.1578105 -1.7053575 0.3887493 0.1206314 0.3866087 -2.0865127 7 O -1.3839982 -0.0884350 -0.1121767 -0.1578105 -1.7053575 -0.3887493 -0.1206314 -0.3866087 -2.0865127 8 O -1.3839982 0.0884350 -0.1121767 0.1578105 -1.7053575 0.3887493 -0.1206314 0.3866087 -2.0865127 9 Na 1.0410550 0.0088205 0.0098320 0.0122677 1.0445720 -0.0102365 0.0053151 -0.0092074 1.0715504 10 Na 1.0410550 -0.0088205 -0.0098320 -0.0122677 1.0445720 -0.0102365 -0.0053151 -0.0092074 1.0715504 11 Na 1.0410550 0.0088205 -0.0098320 0.0122677 1.0445720 0.0102365 -0.0053151 0.0092074 1.0715504 12 Na 1.0410550 -0.0088205 0.0098320 -0.0122677 1.0445720 0.0102365 0.0053151 0.0092074 1.0715504 13 Al 2.4383993 0.0579082 -0.0375918 -0.1367949 2.3596846 0.0945510 0.0319085 -0.1140620 2.4164405 14 Al 2.4383993 0.0579082 0.0375918 -0.1367949 2.3596846 -0.0945510 -0.0319085 0.1140620 2.4164405 15 Al 2.4383993 -0.0579082 0.0375918 0.1367949 2.3596846 0.0945510 -0.0319085 -0.1140620 2.4164405 16 Al 2.4383993 -0.0579082 -0.0375918 0.1367949 2.3596846 -0.0945510 0.0319085 0.1140620 2.4164405 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:16:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:16:14]------------------------- 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.412329200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.020032640000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.229268130000000 Atomic positions (fractional): 1 O 0.87676284567323 0.32749534673186 0.92803312440431 15.999 2 O 0.12323715432677 0.67250465326814 0.42803312440431 15.999 3 O 0.62323715432677 0.82749534673186 0.42803312440431 15.999 4 O 0.37676284567322 0.17250465326814 0.92803312440431 15.999 5 O 0.53339040852812 0.42114123167480 0.33148921107414 15.999 6 O 0.03339040852812 0.07885876832520 0.33148921107414 15.999 7 O 0.96660959147188 0.92114123167480 0.83148921107414 15.999 8 O 0.46660959147188 0.57885876832520 0.83148921107414 15.999 9 Na 0.43148123923928 0.12257925358239 0.48460522339679 22.990 10 Na 0.06851876076072 0.62257925358239 0.98460522339679 22.990 11 Na 0.56851876076073 0.87742074641761 0.98460522339679 22.990 12 Na 0.93148123923927 0.37742074641761 0.48460522339679 22.990 13 Al 0.56185401892300 0.37410371260388 0.00027245112476 26.982 14 Al 0.43814598107700 0.62589628739612 0.50027245112476 26.982 15 Al 0.93814598107700 0.87410371260388 0.50027245112476 26.982 16 Al 0.06185401892300 0.12589628739612 0.00027245112476 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.824658400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.040065280000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.458536260000001 Atomic positions (fractional): 1 O 0.43838142283661 0.16374767336593 0.46401656220216 15.999 > 1 2 O 0.93838142283661 0.16374767336593 0.46401656220216 15.999 > 1 3 O 0.43838142283661 0.66374767336593 0.46401656220216 15.999 > 1 4 O 0.93838142283661 0.66374767336593 0.46401656220216 15.999 > 1 5 O 0.43838142283661 0.16374767336593 0.96401656220216 15.999 > 1 6 O 0.93838142283661 0.16374767336593 0.96401656220216 15.999 > 1 7 O 0.43838142283661 0.66374767336593 0.96401656220216 15.999 > 1 8 O 0.93838142283661 0.66374767336593 0.96401656220216 15.999 > 1 9 O 0.06161857716339 0.33625232663407 0.21401656220216 15.999 > 9 10 O 0.56161857716339 0.33625232663407 0.21401656220216 15.999 > 9 11 O 0.06161857716339 0.83625232663407 0.21401656220216 15.999 > 9 12 O 0.56161857716339 0.83625232663407 0.21401656220216 15.999 > 9 13 O 0.06161857716339 0.33625232663407 0.71401656220216 15.999 > 9 14 O 0.56161857716339 0.33625232663407 0.71401656220216 15.999 > 9 15 O 0.06161857716339 0.83625232663407 0.71401656220216 15.999 > 9 16 O 0.56161857716339 0.83625232663407 0.71401656220216 15.999 > 9 17 O 0.31161857716339 0.41374767336593 0.21401656220216 15.999 > 17 18 O 0.81161857716339 0.41374767336593 0.21401656220216 15.999 > 17 19 O 0.31161857716339 0.91374767336593 0.21401656220216 15.999 > 17 20 O 0.81161857716339 0.91374767336593 0.21401656220216 15.999 > 17 21 O 0.31161857716339 0.41374767336593 0.71401656220216 15.999 > 17 22 O 0.81161857716339 0.41374767336593 0.71401656220216 15.999 > 17 23 O 0.31161857716339 0.91374767336593 0.71401656220216 15.999 > 17 24 O 0.81161857716339 0.91374767336593 0.71401656220216 15.999 > 17 25 O 0.18838142283661 0.08625232663407 0.46401656220216 15.999 > 25 26 O 0.68838142283661 0.08625232663407 0.46401656220216 15.999 > 25 27 O 0.18838142283661 0.58625232663407 0.46401656220216 15.999 > 25 28 O 0.68838142283661 0.58625232663407 0.46401656220216 15.999 > 25 29 O 0.18838142283661 0.08625232663407 0.96401656220216 15.999 > 25 30 O 0.68838142283661 0.08625232663407 0.96401656220216 15.999 > 25 31 O 0.18838142283661 0.58625232663407 0.96401656220216 15.999 > 25 32 O 0.68838142283661 0.58625232663407 0.96401656220216 15.999 > 25 33 O 0.26669520426406 0.21057061583740 0.16574460553707 15.999 > 33 34 O 0.76669520426406 0.21057061583740 0.16574460553707 15.999 > 33 35 O 0.26669520426406 0.71057061583740 0.16574460553707 15.999 > 33 36 O 0.76669520426406 0.71057061583740 0.16574460553707 15.999 > 33 37 O 0.26669520426406 0.21057061583740 0.66574460553707 15.999 > 33 38 O 0.76669520426406 0.21057061583740 0.66574460553707 15.999 > 33 39 O 0.26669520426406 0.71057061583740 0.66574460553707 15.999 > 33 40 O 0.76669520426406 0.71057061583740 0.66574460553707 15.999 > 33 41 O 0.01669520426406 0.03942938416260 0.16574460553707 15.999 > 41 42 O 0.51669520426406 0.03942938416260 0.16574460553707 15.999 > 41 43 O 0.01669520426406 0.53942938416260 0.16574460553707 15.999 > 41 44 O 0.51669520426406 0.53942938416260 0.16574460553707 15.999 > 41 45 O 0.01669520426406 0.03942938416260 0.66574460553707 15.999 > 41 46 O 0.51669520426406 0.03942938416260 0.66574460553707 15.999 > 41 47 O 0.01669520426406 0.53942938416260 0.66574460553707 15.999 > 41 48 O 0.51669520426406 0.53942938416260 0.66574460553707 15.999 > 41 49 O 0.48330479573594 0.46057061583740 0.41574460553707 15.999 > 49 50 O 0.98330479573594 0.46057061583740 0.41574460553707 15.999 > 49 51 O 0.48330479573594 0.96057061583740 0.41574460553707 15.999 > 49 52 O 0.98330479573594 0.96057061583740 0.41574460553707 15.999 > 49 53 O 0.48330479573594 0.46057061583740 0.91574460553707 15.999 > 49 54 O 0.98330479573594 0.46057061583740 0.91574460553707 15.999 > 49 55 O 0.48330479573594 0.96057061583740 0.91574460553707 15.999 > 49 56 O 0.98330479573594 0.96057061583740 0.91574460553707 15.999 > 49 57 O 0.23330479573594 0.28942938416260 0.41574460553707 15.999 > 57 58 O 0.73330479573594 0.28942938416260 0.41574460553707 15.999 > 57 59 O 0.23330479573594 0.78942938416260 0.41574460553707 15.999 > 57 60 O 0.73330479573594 0.78942938416260 0.41574460553707 15.999 > 57 61 O 0.23330479573594 0.28942938416260 0.91574460553707 15.999 > 57 62 O 0.73330479573594 0.28942938416260 0.91574460553707 15.999 > 57 63 O 0.23330479573594 0.78942938416260 0.91574460553707 15.999 > 57 64 O 0.73330479573594 0.78942938416260 0.91574460553707 15.999 > 57 65 Na 0.21574061961964 0.06128962679119 0.24230261169839 22.990 > 65 66 Na 0.71574061961964 0.06128962679119 0.24230261169839 22.990 > 65 67 Na 0.21574061961964 0.56128962679119 0.24230261169839 22.990 > 65 68 Na 0.71574061961964 0.56128962679119 0.24230261169839 22.990 > 65 69 Na 0.21574061961964 0.06128962679119 0.74230261169839 22.990 > 65 70 Na 0.71574061961964 0.06128962679119 0.74230261169839 22.990 > 65 71 Na 0.21574061961964 0.56128962679119 0.74230261169839 22.990 > 65 72 Na 0.71574061961964 0.56128962679119 0.74230261169839 22.990 > 65 73 Na 0.03425938038036 0.31128962679119 0.49230261169839 22.990 > 73 74 Na 0.53425938038036 0.31128962679119 0.49230261169839 22.990 > 73 75 Na 0.03425938038036 0.81128962679119 0.49230261169839 22.990 > 73 76 Na 0.53425938038036 0.81128962679119 0.49230261169839 22.990 > 73 77 Na 0.03425938038036 0.31128962679119 0.99230261169839 22.990 > 73 78 Na 0.53425938038036 0.31128962679119 0.99230261169839 22.990 > 73 79 Na 0.03425938038036 0.81128962679119 0.99230261169839 22.990 > 73 80 Na 0.53425938038036 0.81128962679119 0.99230261169839 22.990 > 73 81 Na 0.28425938038036 0.43871037320881 0.49230261169839 22.990 > 81 82 Na 0.78425938038036 0.43871037320881 0.49230261169839 22.990 > 81 83 Na 0.28425938038036 0.93871037320881 0.49230261169839 22.990 > 81 84 Na 0.78425938038036 0.93871037320881 0.49230261169839 22.990 > 81 85 Na 0.28425938038036 0.43871037320881 0.99230261169839 22.990 > 81 86 Na 0.78425938038036 0.43871037320881 0.99230261169839 22.990 > 81 87 Na 0.28425938038036 0.93871037320881 0.99230261169839 22.990 > 81 88 Na 0.78425938038036 0.93871037320881 0.99230261169839 22.990 > 81 89 Na 0.46574061961964 0.18871037320881 0.24230261169839 22.990 > 89 90 Na 0.96574061961964 0.18871037320881 0.24230261169839 22.990 > 89 91 Na 0.46574061961964 0.68871037320881 0.24230261169839 22.990 > 89 92 Na 0.96574061961964 0.68871037320881 0.24230261169839 22.990 > 89 93 Na 0.46574061961964 0.18871037320881 0.74230261169839 22.990 > 89 94 Na 0.96574061961964 0.18871037320881 0.74230261169839 22.990 > 89 95 Na 0.46574061961964 0.68871037320881 0.74230261169839 22.990 > 89 96 Na 0.96574061961964 0.68871037320881 0.74230261169839 22.990 > 89 97 Al 0.28092700946150 0.18705185630194 0.00013622556238 26.982 > 97 98 Al 0.78092700946150 0.18705185630194 0.00013622556238 26.982 > 97 99 Al 0.28092700946150 0.68705185630194 0.00013622556238 26.982 > 97 100 Al 0.78092700946150 0.68705185630194 0.00013622556238 26.982 > 97 101 Al 0.28092700946150 0.18705185630194 0.50013622556238 26.982 > 97 102 Al 0.78092700946150 0.18705185630194 0.50013622556238 26.982 > 97 103 Al 0.28092700946150 0.68705185630194 0.50013622556238 26.982 > 97 104 Al 0.78092700946150 0.68705185630194 0.50013622556238 26.982 > 97 105 Al 0.21907299053850 0.31294814369806 0.25013622556238 26.982 > 105 106 Al 0.71907299053850 0.31294814369806 0.25013622556238 26.982 > 105 107 Al 0.21907299053850 0.81294814369806 0.25013622556238 26.982 > 105 108 Al 0.71907299053850 0.81294814369806 0.25013622556238 26.982 > 105 109 Al 0.21907299053850 0.31294814369806 0.75013622556238 26.982 > 105 110 Al 0.71907299053850 0.31294814369806 0.75013622556238 26.982 > 105 111 Al 0.21907299053850 0.81294814369806 0.75013622556238 26.982 > 105 112 Al 0.71907299053850 0.81294814369806 0.75013622556238 26.982 > 105 113 Al 0.46907299053850 0.43705185630194 0.25013622556238 26.982 > 113 114 Al 0.96907299053850 0.43705185630194 0.25013622556238 26.982 > 113 115 Al 0.46907299053850 0.93705185630194 0.25013622556238 26.982 > 113 116 Al 0.96907299053850 0.93705185630194 0.25013622556238 26.982 > 113 117 Al 0.46907299053850 0.43705185630194 0.75013622556238 26.982 > 113 118 Al 0.96907299053850 0.43705185630194 0.75013622556238 26.982 > 113 119 Al 0.46907299053850 0.93705185630194 0.75013622556238 26.982 > 113 120 Al 0.96907299053850 0.93705185630194 0.75013622556238 26.982 > 113 121 Al 0.03092700946150 0.06294814369806 0.00013622556238 26.982 > 121 122 Al 0.53092700946150 0.06294814369806 0.00013622556238 26.982 > 121 123 Al 0.03092700946150 0.56294814369806 0.00013622556238 26.982 > 121 124 Al 0.53092700946150 0.56294814369806 0.00013622556238 26.982 > 121 125 Al 0.03092700946150 0.06294814369806 0.50013622556238 26.982 > 121 126 Al 0.53092700946150 0.06294814369806 0.50013622556238 26.982 > 121 127 Al 0.03092700946150 0.56294814369806 0.50013622556238 26.982 > 121 128 Al 0.53092700946150 0.56294814369806 0.50013622556238 26.982 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6685379 0.0000000 0.0000000 0.0000000 2.6177281 0.0000000 0.0000000 0.0000000 2.6629979 -------------------------- Born effective charges -------------------------- 1 O -2.0954561 0.4020450 0.0387682 0.3987923 -1.6988991 0.0683835 0.0211066 0.0678722 -1.4014781 2 O -2.0954561 0.4020450 -0.0387682 0.3987923 -1.6988991 -0.0683835 -0.0211066 -0.0678722 -1.4014781 3 O -2.0954561 -0.4020450 -0.0387682 -0.3987923 -1.6988991 0.0683835 -0.0211066 0.0678722 -1.4014781 4 O -2.0954561 -0.4020450 0.0387682 -0.3987923 -1.6988991 -0.0683835 0.0211066 -0.0678722 -1.4014781 5 O -1.3839982 0.0884350 0.1121767 0.1578105 -1.7053575 -0.3887493 0.1206314 -0.3866087 -2.0865127 6 O -1.3839982 -0.0884350 0.1121767 -0.1578105 -1.7053575 0.3887493 0.1206314 0.3866087 -2.0865127 7 O -1.3839982 -0.0884350 -0.1121767 -0.1578105 -1.7053575 -0.3887493 -0.1206314 -0.3866087 -2.0865127 8 O -1.3839982 0.0884350 -0.1121767 0.1578105 -1.7053575 0.3887493 -0.1206314 0.3866087 -2.0865127 9 Na 1.0410550 0.0088205 0.0098320 0.0122677 1.0445720 -0.0102365 0.0053151 -0.0092074 1.0715504 10 Na 1.0410550 -0.0088205 -0.0098320 -0.0122677 1.0445720 -0.0102365 -0.0053151 -0.0092074 1.0715504 11 Na 1.0410550 0.0088205 -0.0098320 0.0122677 1.0445720 0.0102365 -0.0053151 0.0092074 1.0715504 12 Na 1.0410550 -0.0088205 0.0098320 -0.0122677 1.0445720 0.0102365 0.0053151 0.0092074 1.0715504 13 Al 2.4383993 0.0579082 -0.0375918 -0.1367949 2.3596846 0.0945510 0.0319085 -0.1140620 2.4164405 14 Al 2.4383993 0.0579082 0.0375918 -0.1367949 2.3596846 -0.0945510 -0.0319085 0.1140620 2.4164405 15 Al 2.4383993 -0.0579082 0.0375918 0.1367949 2.3596846 0.0945510 -0.0319085 -0.1140620 2.4164405 16 Al 2.4383993 -0.0579082 -0.0375918 0.1367949 2.3596846 -0.0945510 0.0319085 0.1140620 2.4164405 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 -0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 -0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 -0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 -0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.686 ( 0.000 0.000 -0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.767 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 -0.000) 0.000 12.652 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 16.020 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 18.195 ( 0.000 0.000 0.000) 0.000 18.636 ( 0.000 0.000 0.000) 0.000 18.961 ( 0.000 0.000 0.000) 0.000 19.347 ( 0.000 0.000 -0.000) 0.000 23.336 ( 0.000 0.000 -0.000) 0.000 23.428 ( 0.000 0.000 -0.000) 0.000 23.485 ( 0.000 0.000 0.000) 0.000 24.095 ( 0.000 0.000 -0.000) 0.000 24.182 ( 0.000 0.000 -0.000) 0.000 24.200 ( 0.000 0.000 0.000) 0.000 24.996 ( 0.000 0.000 0.000) 0.000 25.688 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 34.711 0.000 0.000) 34.711 0.957 ( 45.936 0.000 0.000) 45.936 1.421 ( 64.867 0.000 0.000) 64.867 3.807 ( 7.767 0.000 0.000) 7.767 4.104 ( -5.851 0.000 0.000) 5.851 4.238 ( 16.562 0.000 0.000) 16.562 4.623 ( -3.885 0.000 0.000) 3.885 5.317 ( -7.929 0.000 0.000) 7.929 5.326 ( -21.649 0.000 0.000) 21.649 5.475 ( -24.894 0.000 0.000) 24.894 5.605 ( -2.305 0.000 0.000) 2.305 5.892 ( -0.291 0.000 0.000) 0.291 6.011 ( 5.662 0.000 0.000) 5.662 6.845 ( 0.855 0.000 0.000) 0.855 7.087 ( -8.127 0.000 0.000) 8.127 7.151 ( -1.410 0.000 0.000) 1.410 7.281 ( 3.023 0.000 0.000) 3.023 7.471 ( 9.793 0.000 0.000) 9.793 7.749 ( -3.144 0.000 0.000) 3.144 7.755 ( 3.218 0.000 0.000) 3.218 8.334 ( -8.291 0.000 0.000) 8.291 8.644 ( 17.209 0.000 0.000) 17.209 8.872 ( 15.495 0.000 0.000) 15.495 9.364 ( -2.491 0.000 0.000) 2.491 9.587 ( -8.442 0.000 0.000) 8.442 10.544 ( -4.530 0.000 0.000) 4.530 11.044 ( 9.865 0.000 0.000) 9.865 11.986 ( 0.278 0.000 0.000) 0.278 12.008 ( -4.898 0.000 0.000) 4.898 12.560 ( -8.746 0.000 0.000) 8.746 12.632 ( 2.609 0.000 0.000) 2.609 12.998 ( -7.624 0.000 0.000) 7.624 14.049 ( 1.578 0.000 0.000) 1.578 14.803 ( -11.955 0.000 0.000) 11.955 16.465 ( 2.682 0.000 0.000) 2.682 18.145 ( -5.089 0.000 0.000) 5.089 18.196 ( 7.027 0.000 0.000) 7.027 18.655 ( 0.779 0.000 0.000) 0.779 19.031 ( 7.045 0.000 0.000) 7.045 19.321 ( -3.120 0.000 0.000) 3.120 23.355 ( 1.760 0.000 0.000) 1.760 23.515 ( 2.289 0.000 0.000) 2.289 24.097 ( 0.320 0.000 0.000) 0.320 24.178 ( -0.319 0.000 0.000) 0.319 24.268 ( 6.867 0.000 0.000) 6.867 25.010 ( 1.529 0.000 0.000) 1.529 25.333 ( -1.610 0.000 0.000) 1.610 26.928 ( -6.200 0.000 0.000) 6.200 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 33.238 0.000 0.000) 33.238 1.865 ( 41.738 0.000 0.000) 41.738 2.495 ( 33.031 0.000 0.000) 33.031 3.985 ( 6.802 0.000 0.000) 6.802 4.083 ( 11.162 0.000 0.000) 11.162 4.451 ( -12.996 0.000 0.000) 12.996 4.596 ( 9.658 0.000 0.000) 9.658 4.760 ( -32.493 0.000 0.000) 32.493 5.050 ( -10.467 0.000 0.000) 10.467 5.239 ( 7.104 0.000 0.000) 7.104 5.548 ( -2.939 0.000 0.000) 2.939 5.877 ( -1.181 0.000 0.000) 1.181 6.127 ( 5.042 0.000 0.000) 5.042 6.732 ( -8.679 0.000 0.000) 8.679 6.844 ( -14.472 0.000 0.000) 14.472 7.192 ( 2.010 0.000 0.000) 2.010 7.252 ( -7.417 0.000 0.000) 7.417 7.591 ( 1.343 0.000 0.000) 1.343 7.740 ( 3.012 0.000 0.000) 3.012 7.882 ( 8.282 0.000 0.000) 8.282 8.261 ( 2.144 0.000 0.000) 2.144 9.060 ( 20.632 0.000 0.000) 20.632 9.190 ( 13.657 0.000 0.000) 13.657 9.284 ( -5.095 0.000 0.000) 5.095 9.409 ( -6.112 0.000 0.000) 6.112 10.415 ( -7.554 0.000 0.000) 7.554 11.292 ( 13.308 0.000 0.000) 13.308 11.854 ( -9.927 0.000 0.000) 9.927 11.905 ( -12.028 0.000 0.000) 12.028 12.365 ( -6.092 0.000 0.000) 6.092 12.692 ( 2.547 0.000 0.000) 2.547 12.786 ( -12.410 0.000 0.000) 12.410 14.092 ( 2.467 0.000 0.000) 2.467 14.539 ( -11.929 0.000 0.000) 11.929 16.556 ( 6.428 0.000 0.000) 6.428 17.979 ( -11.136 0.000 0.000) 11.136 18.399 ( 12.271 0.000 0.000) 12.271 18.660 ( 0.376 0.000 0.000) 0.376 19.209 ( 8.411 0.000 0.000) 8.411 19.231 ( -5.390 0.000 0.000) 5.390 23.402 ( 2.665 0.000 0.000) 2.665 23.551 ( 0.869 0.000 0.000) 0.869 24.108 ( 0.607 0.000 0.000) 0.607 24.169 ( -0.537 0.000 0.000) 0.537 24.482 ( 13.321 0.000 0.000) 13.321 25.073 ( 5.263 0.000 0.000) 5.263 25.283 ( -3.171 0.000 0.000) 3.171 26.740 ( -12.008 0.000 0.000) 12.008 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 29.974 0.000 0.000) 29.974 2.597 ( 25.901 0.000 0.000) 25.901 2.744 ( 0.033 0.000 0.000) 0.033 3.842 ( -21.754 0.000 0.000) 21.754 4.188 ( -17.421 0.000 0.000) 17.421 4.305 ( 0.465 0.000 0.000) 0.465 4.472 ( 1.885 0.000 0.000) 1.885 4.610 ( 11.262 0.000 0.000) 11.262 5.024 ( 5.881 0.000 0.000) 5.881 5.452 ( -2.611 0.000 0.000) 2.611 5.684 ( 22.867 0.000 0.000) 22.867 5.854 ( -0.553 0.000 0.000) 0.553 6.218 ( 6.904 0.000 0.000) 6.904 6.575 ( -5.739 0.000 0.000) 5.739 6.601 ( -5.947 0.000 0.000) 5.947 7.028 ( -11.686 0.000 0.000) 11.686 7.175 ( -3.717 0.000 0.000) 3.717 7.540 ( -6.445 0.000 0.000) 6.445 7.821 ( 3.766 0.000 0.000) 3.766 8.009 ( 2.482 0.000 0.000) 2.482 8.432 ( 13.963 0.000 0.000) 13.963 9.163 ( -5.418 0.000 0.000) 5.418 9.210 ( -4.691 0.000 0.000) 4.691 9.381 ( 6.676 0.000 0.000) 6.676 9.583 ( 16.208 0.000 0.000) 16.208 10.271 ( -5.208 0.000 0.000) 5.208 11.498 ( -22.604 0.000 0.000) 22.604 11.543 ( 3.695 0.000 0.000) 3.695 11.639 ( -3.295 0.000 0.000) 3.295 12.350 ( 0.191 0.000 0.000) 0.191 12.527 ( -10.181 0.000 0.000) 10.181 12.712 ( -0.962 0.000 0.000) 0.962 14.145 ( 2.671 0.000 0.000) 2.671 14.349 ( -6.566 0.000 0.000) 6.566 16.736 ( 11.198 0.000 0.000) 11.198 17.698 ( -15.774 0.000 0.000) 15.774 18.672 ( 13.305 0.000 0.000) 13.305 18.691 ( 2.745 0.000 0.000) 2.745 19.114 ( -5.363 0.000 0.000) 5.363 19.317 ( 1.365 0.000 0.000) 1.365 23.457 ( 2.548 0.000 0.000) 2.548 23.552 ( -0.529 0.000 0.000) 0.529 24.120 ( 0.614 0.000 0.000) 0.614 24.157 ( -0.615 0.000 0.000) 0.615 24.757 ( 11.942 0.000 0.000) 11.942 25.203 ( -4.651 0.000 0.000) 4.651 25.262 ( 13.882 0.000 0.000) 13.882 26.441 ( -16.960 0.000 0.000) 16.960 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 15.003 0.000 0.000) 15.003 2.775 ( -6.360 0.000 0.000) 6.360 2.854 ( 16.958 0.000 0.000) 16.958 3.331 ( -25.457 0.000 0.000) 25.457 4.176 ( 10.322 0.000 0.000) 10.322 4.325 ( -7.060 0.000 0.000) 7.060 4.365 ( 8.803 0.000 0.000) 8.803 4.681 ( -12.131 0.000 0.000) 12.131 5.200 ( 9.054 0.000 0.000) 9.054 5.354 ( -6.120 0.000 0.000) 6.120 5.876 ( 2.650 0.000 0.000) 2.650 5.910 ( 1.274 0.000 0.000) 1.274 6.507 ( -0.896 0.000 0.000) 0.896 6.522 ( 1.010 0.000 0.000) 1.010 6.701 ( 27.664 0.000 0.000) 27.664 6.918 ( 4.396 0.000 0.000) 4.396 7.043 ( -8.858 0.000 0.000) 8.858 7.285 ( -19.690 0.000 0.000) 19.690 7.891 ( 3.515 0.000 0.000) 3.515 7.976 ( -4.311 0.000 0.000) 4.311 8.795 ( 19.847 0.000 0.000) 19.847 9.073 ( -4.444 0.000 0.000) 4.444 9.148 ( -0.797 0.000 0.000) 0.797 9.277 ( -13.486 0.000 0.000) 13.486 9.917 ( 15.649 0.000 0.000) 15.649 10.175 ( -7.694 0.000 0.000) 7.694 11.192 ( -3.436 0.000 0.000) 3.436 11.320 ( -12.232 0.000 0.000) 12.232 11.870 ( 13.934 0.000 0.000) 13.934 12.160 ( -14.021 0.000 0.000) 14.021 12.534 ( 5.769 0.000 0.000) 5.769 12.651 ( -4.795 0.000 0.000) 4.795 14.198 ( 2.482 0.000 0.000) 2.482 14.254 ( -3.218 0.000 0.000) 3.218 17.012 ( 15.435 0.000 0.000) 15.435 17.353 ( -17.252 0.000 0.000) 17.252 18.770 ( 4.658 0.000 0.000) 4.658 18.844 ( 0.121 0.000 0.000) 0.121 19.094 ( 6.257 0.000 0.000) 6.257 19.259 ( -6.679 0.000 0.000) 6.679 23.503 ( 1.877 0.000 0.000) 1.877 23.534 ( -1.190 0.000 0.000) 1.190 24.133 ( 0.587 0.000 0.000) 0.587 24.145 ( -0.602 0.000 0.000) 0.602 24.954 ( 7.732 0.000 0.000) 7.732 25.093 ( -6.019 0.000 0.000) 6.019 25.628 ( 20.445 0.000 0.000) 20.445 26.054 ( -20.324 0.000 0.000) 20.324 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 46.485 0.000) 46.485 0.971 ( 0.000 47.321 0.000) 47.321 1.450 ( 0.000 70.393 0.000) 70.393 3.900 ( 0.000 15.219 0.000) 15.219 4.097 ( 0.000 6.964 0.000) 6.964 4.379 ( 0.000 14.800 0.000) 14.800 4.688 ( 0.000 4.356 0.000) 4.356 5.089 ( 0.000 -25.746 0.000) 25.746 5.396 ( 0.000 -12.018 0.000) 12.018 5.591 ( 0.000 -4.609 0.000) 4.609 5.707 ( 0.000 -10.904 0.000) 10.904 5.958 ( 0.000 12.502 0.000) 12.502 6.115 ( 0.000 9.415 0.000) 9.415 6.532 ( 0.000 5.675 0.000) 5.675 6.824 ( 0.000 3.469 0.000) 3.469 7.115 ( 0.000 -14.801 0.000) 14.801 7.195 ( 0.000 -1.267 0.000) 1.267 7.373 ( 0.000 -3.682 0.000) 3.682 7.637 ( 0.000 -18.957 0.000) 18.957 8.036 ( 0.000 -3.704 0.000) 3.704 8.075 ( 0.000 -16.848 0.000) 16.848 8.635 ( 0.000 1.130 0.000) 1.130 8.989 ( 0.000 28.085 0.000) 28.085 9.504 ( 0.000 -6.972 0.000) 6.972 9.775 ( 0.000 6.491 0.000) 6.491 10.544 ( 0.000 -4.474 0.000) 4.474 10.705 ( 0.000 -5.791 0.000) 5.791 11.875 ( 0.000 -15.607 0.000) 15.607 12.327 ( 0.000 6.742 0.000) 6.742 12.648 ( 0.000 4.069 0.000) 4.069 12.680 ( 0.000 2.483 0.000) 2.483 12.874 ( 0.000 -0.231 0.000) 0.231 13.498 ( 0.000 9.674 0.000) 9.674 14.821 ( 0.000 -10.373 0.000) 10.373 16.189 ( 0.000 14.968 0.000) 14.968 18.025 ( 0.000 -8.803 0.000) 8.803 18.240 ( 0.000 0.960 0.000) 0.960 18.843 ( 0.000 -9.523 0.000) 9.523 19.425 ( 0.000 5.707 0.000) 5.707 19.563 ( 0.000 0.798 0.000) 0.798 23.340 ( 0.000 0.376 0.000) 0.376 23.423 ( 0.000 -0.506 0.000) 0.506 23.963 ( 0.000 4.974 0.000) 4.974 24.100 ( 0.000 0.453 0.000) 0.453 24.180 ( 0.000 -0.167 0.000) 0.167 24.921 ( 0.000 -6.665 0.000) 6.665 25.774 ( 0.000 7.730 0.000) 7.730 26.726 ( 0.000 -3.933 0.000) 3.933 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 17.422 24.929 0.000) 30.414 1.207 ( 21.174 35.799 0.000) 41.592 2.234 ( 51.839 54.772 0.000) 75.414 3.873 ( 1.019 3.187 0.000) 3.346 4.258 ( -1.472 15.577 0.000) 15.646 4.369 ( 13.175 13.350 0.000) 18.757 4.653 ( -2.850 1.569 0.000) 3.253 4.893 ( -15.990 -23.872 0.000) 28.733 5.219 ( -15.600 -11.936 0.000) 19.642 5.560 ( -7.041 -1.081 0.000) 7.124 5.742 ( 2.469 -9.407 0.000) 9.726 5.794 ( -11.853 15.230 0.000) 19.299 6.136 ( 2.030 7.480 0.000) 7.751 6.749 ( 2.135 -10.508 0.000) 10.723 6.848 ( 9.182 -5.831 0.000) 10.877 7.095 ( 7.315 -3.973 0.000) 8.324 7.215 ( -4.457 5.020 0.000) 6.713 7.582 ( 12.575 -5.383 0.000) 13.679 7.696 ( 3.831 -12.297 0.000) 12.880 7.816 ( -13.097 -4.526 0.000) 13.857 8.068 ( 1.521 -11.613 0.000) 11.712 8.548 ( -1.386 -0.385 0.000) 1.438 9.195 ( 8.036 12.266 0.000) 14.664 9.462 ( 2.797 7.202 0.000) 7.726 9.621 ( -10.333 7.406 0.000) 12.713 10.492 ( -5.002 -4.786 0.000) 6.923 10.911 ( 13.183 -11.080 0.000) 17.221 11.782 ( -3.801 -14.395 0.000) 14.888 12.180 ( -6.812 11.229 0.000) 13.133 12.538 ( -8.371 1.139 0.000) 8.448 12.732 ( 1.892 5.344 0.000) 5.669 13.088 ( -0.840 3.769 0.000) 3.862 13.653 ( 12.706 -16.387 0.000) 20.736 14.693 ( -11.190 -9.987 0.000) 14.998 16.378 ( 12.257 5.761 0.000) 13.543 18.081 ( 4.997 -9.181 0.000) 10.453 18.160 ( -5.420 1.089 0.000) 5.529 18.891 ( 4.079 -10.503 0.000) 11.267 19.221 ( -17.537 24.819 0.000) 30.389 19.426 ( -0.104 7.154 0.000) 7.155 23.351 ( 1.691 -0.016 0.000) 1.691 23.493 ( 3.850 -1.622 0.000) 4.178 24.091 ( 0.820 -0.595 0.000) 1.013 24.167 ( 6.966 -1.770 0.000) 7.187 24.184 ( 5.446 0.123 0.000) 5.447 24.915 ( 0.921 -6.188 0.000) 6.256 25.601 ( -9.146 15.301 0.000) 17.826 26.787 ( -0.778 -9.453 0.000) 9.485 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 26.664 -0.783 0.000) 26.675 1.776 ( 31.938 14.526 0.000) 35.086 3.169 ( 29.853 46.860 0.000) 55.562 3.907 ( 0.262 -9.720 0.000) 9.724 4.233 ( 8.237 12.768 0.000) 15.194 4.363 ( -19.270 -11.454 0.000) 22.417 4.559 ( -12.720 3.308 0.000) 13.143 4.810 ( 2.716 2.483 0.000) 3.680 4.995 ( 8.460 0.624 0.000) 8.483 5.370 ( -5.752 6.635 0.000) 8.781 5.605 ( -4.773 7.069 0.000) 8.529 5.796 ( 1.944 -5.153 0.000) 5.508 6.193 ( 3.032 4.867 0.000) 5.734 6.586 ( -9.917 -7.906 0.000) 12.683 6.969 ( -8.260 0.917 0.000) 8.311 7.132 ( -0.510 1.146 0.000) 1.254 7.262 ( 5.457 1.316 0.000) 5.614 7.570 ( -6.706 -5.066 0.000) 8.404 7.713 ( -2.187 -0.754 0.000) 2.314 7.887 ( 15.776 -4.690 0.000) 16.459 8.122 ( 3.280 -11.681 0.000) 12.133 8.692 ( 14.435 -16.064 0.000) 21.597 9.211 ( -2.598 -5.475 0.000) 6.060 9.390 ( -11.376 5.997 0.000) 12.859 9.685 ( 13.241 20.597 0.000) 24.486 10.359 ( -7.048 -4.417 0.000) 8.317 11.177 ( 12.351 -12.194 0.000) 17.356 11.668 ( -9.929 -13.511 0.000) 16.767 12.034 ( -8.772 10.606 0.000) 13.764 12.357 ( -6.403 0.985 0.000) 6.478 12.718 ( -4.987 1.572 0.000) 5.229 12.945 ( -8.239 11.272 0.000) 13.963 13.859 ( 7.280 -17.199 0.000) 18.677 14.445 ( -11.202 -8.948 0.000) 14.337 16.603 ( 10.316 6.988 0.000) 12.460 17.993 ( -8.898 0.002 0.000) 8.898 18.281 ( 11.618 -7.920 0.000) 14.061 18.918 ( -4.672 3.490 0.000) 5.832 19.010 ( -1.982 4.840 0.000) 5.230 19.436 ( 0.774 9.014 0.000) 9.048 23.400 ( 2.829 0.019 0.000) 2.829 23.550 ( 1.559 -0.253 0.000) 1.580 24.099 ( 0.468 -0.624 0.000) 0.780 24.167 ( -0.561 -0.336 0.000) 0.654 24.456 ( 14.405 -1.008 0.000) 14.440 24.993 ( 6.932 -5.394 0.000) 8.783 25.445 ( -6.848 11.864 0.000) 13.698 26.663 ( -10.329 -7.034 0.000) 12.497 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 23.104 -8.938 0.000) 24.773 2.398 ( 26.578 4.026 0.000) 26.881 3.336 ( -9.569 30.711 0.000) 32.168 3.753 ( -12.182 -17.761 0.000) 21.537 3.931 ( -15.339 -2.620 0.000) 15.561 4.331 ( -3.854 3.680 0.000) 5.329 4.712 ( 13.856 16.455 0.000) 21.511 4.738 ( 2.135 -0.051 0.000) 2.136 5.113 ( 2.074 15.322 0.000) 15.462 5.419 ( -1.992 -2.742 0.000) 3.389 5.790 ( 21.597 9.723 0.000) 23.685 5.831 ( 3.109 -1.490 0.000) 3.447 6.242 ( 4.495 1.952 0.000) 4.900 6.463 ( 0.389 -4.355 0.000) 4.373 6.745 ( -9.658 5.741 0.000) 11.236 7.022 ( -8.300 1.256 0.000) 8.394 7.266 ( -4.105 5.866 0.000) 7.160 7.461 ( -6.886 -5.751 0.000) 8.972 7.714 ( 3.255 -5.264 0.000) 6.189 8.134 ( 3.353 5.935 0.000) 6.817 8.319 ( 18.647 -10.399 0.000) 21.351 8.993 ( 9.334 -18.222 0.000) 20.474 9.145 ( -4.319 -6.713 0.000) 7.982 9.205 ( -2.032 -0.496 0.000) 2.091 9.843 ( -0.216 8.642 0.000) 8.644 10.266 ( -1.571 3.363 0.000) 3.712 11.263 ( -10.398 -17.349 0.000) 20.226 11.533 ( 6.840 -1.400 0.000) 6.982 11.782 ( -14.117 8.950 0.000) 16.715 12.316 ( -2.082 -1.192 0.000) 2.399 12.531 ( -8.069 0.094 0.000) 8.069 12.824 ( -4.978 7.917 0.000) 9.352 13.980 ( 5.022 -12.964 0.000) 13.902 14.266 ( -6.346 -7.909 0.000) 10.140 16.833 ( 12.574 9.460 0.000) 15.735 17.764 ( -13.406 4.558 0.000) 14.159 18.532 ( 11.362 -7.934 0.000) 13.858 18.829 ( -2.351 4.061 0.000) 4.693 18.999 ( 0.468 -3.459 0.000) 3.490 19.424 ( -2.873 6.290 0.000) 6.916 23.459 ( 2.755 0.324 0.000) 2.774 23.561 ( -0.334 0.616 0.000) 0.701 24.111 ( 0.631 -0.780 0.000) 1.004 24.154 ( -0.698 -0.414 0.000) 0.812 24.741 ( 12.550 -0.621 0.000) 12.565 25.217 ( 14.817 -2.722 0.000) 15.065 25.303 ( -6.825 7.276 0.000) 9.976 26.387 ( -16.154 -5.223 0.000) 16.978 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 22.025 -7.076 0.000) 23.133 2.873 ( 14.245 1.966 0.000) 14.380 2.910 ( -17.632 5.564 0.000) 18.489 3.349 ( -23.363 -0.759 0.000) 23.376 4.042 ( 15.613 -2.906 0.000) 15.881 4.258 ( -4.886 1.910 0.000) 5.246 4.680 ( 2.399 12.982 0.000) 13.201 4.853 ( -8.307 12.945 0.000) 15.381 5.185 ( 6.390 2.339 0.000) 6.804 5.326 ( -6.264 -1.212 0.000) 6.380 5.874 ( 4.638 0.733 0.000) 4.695 5.974 ( -2.633 4.041 0.000) 4.823 6.512 ( 4.523 1.477 0.000) 4.758 6.565 ( 0.088 3.295 0.000) 3.297 6.753 ( 24.584 5.297 0.000) 25.148 6.954 ( 4.307 2.275 0.000) 4.871 7.121 ( -9.439 5.957 0.000) 11.162 7.236 ( -15.983 -1.683 0.000) 16.071 7.839 ( 9.017 -2.807 0.000) 9.444 8.058 ( -9.884 4.977 0.000) 11.066 8.736 ( 19.188 -6.157 0.000) 20.151 8.982 ( -5.023 -8.567 0.000) 9.931 9.098 ( 1.804 -3.932 0.000) 4.326 9.239 ( -5.305 -4.084 0.000) 6.695 9.846 ( 7.511 -6.787 0.000) 10.123 10.123 ( -14.236 -4.331 0.000) 14.880 11.179 ( 6.771 0.738 0.000) 6.811 11.437 ( -15.173 8.681 0.000) 17.481 11.808 ( 13.534 -5.440 0.000) 14.587 12.104 ( -14.571 -4.777 0.000) 15.334 12.558 ( 6.534 1.830 0.000) 6.785 12.703 ( -6.841 3.738 0.000) 7.795 14.075 ( 4.372 -9.930 0.000) 10.850 14.163 ( -4.293 -8.097 0.000) 9.165 17.123 ( 15.523 10.003 0.000) 18.467 17.455 ( -16.208 8.455 0.000) 18.281 18.699 ( 5.275 -5.906 0.000) 7.919 18.784 ( -3.130 -5.390 0.000) 6.233 19.099 ( 9.314 1.171 0.000) 9.387 19.302 ( -8.792 2.761 0.000) 9.216 23.509 ( 2.068 0.628 0.000) 2.162 23.543 ( -1.276 0.796 0.000) 1.504 24.125 ( 0.679 -0.721 0.000) 0.991 24.139 ( -0.713 -0.569 0.000) 0.912 24.964 ( 9.493 1.390 0.000) 9.594 25.143 ( -8.145 4.546 0.000) 9.328 25.596 ( 20.330 -3.119 0.000) 20.568 26.014 ( -19.786 -3.950 0.000) 20.176 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 45.314 0.000) 45.314 1.917 ( 0.000 45.387 0.000) 45.387 2.843 ( 0.000 65.721 0.000) 65.721 4.072 ( 0.000 -8.569 0.000) 8.569 4.255 ( 0.000 -0.442 0.000) 0.442 4.512 ( 0.000 -20.961 0.000) 20.961 4.601 ( 0.000 10.741 0.000) 10.741 4.954 ( 0.000 12.885 0.000) 12.885 5.276 ( 0.000 8.108 0.000) 8.108 5.478 ( 0.000 -11.450 0.000) 11.450 5.528 ( 0.000 3.461 0.000) 3.461 6.172 ( 0.000 6.550 0.000) 6.550 6.338 ( 0.000 12.859 0.000) 12.859 6.475 ( 0.000 -31.597 0.000) 31.597 6.696 ( 0.000 -3.034 0.000) 3.034 6.952 ( 0.000 4.982 0.000) 4.982 6.991 ( 0.000 -17.633 0.000) 17.633 7.328 ( 0.000 -7.828 0.000) 7.828 7.346 ( 0.000 -0.787 0.000) 0.787 7.637 ( 0.000 -24.535 0.000) 24.535 8.053 ( 0.000 2.310 0.000) 2.310 8.583 ( 0.000 -7.686 0.000) 7.686 9.433 ( 0.000 2.313 0.000) 2.313 9.524 ( 0.000 22.775 0.000) 22.775 9.938 ( 0.000 9.242 0.000) 9.242 10.435 ( 0.000 -4.785 0.000) 4.785 10.553 ( 0.000 -8.357 0.000) 8.357 11.477 ( 0.000 -22.577 0.000) 22.577 12.484 ( 0.000 8.109 0.000) 8.109 12.733 ( 0.000 2.013 0.000) 2.013 12.746 ( 0.000 4.846 0.000) 4.846 12.864 ( 0.000 -0.709 0.000) 0.709 13.738 ( 0.000 13.117 0.000) 13.117 14.573 ( 0.000 -13.253 0.000) 13.253 16.564 ( 0.000 20.763 0.000) 20.763 17.780 ( 0.000 -15.042 0.000) 15.042 18.264 ( 0.000 1.773 0.000) 1.773 18.634 ( 0.000 -10.221 0.000) 10.221 19.530 ( 0.000 4.103 0.000) 4.103 19.583 ( 0.000 1.023 0.000) 1.023 23.351 ( 0.000 0.716 0.000) 0.716 23.408 ( 0.000 -0.874 0.000) 0.874 24.096 ( 0.000 6.929 0.000) 6.929 24.112 ( 0.000 0.763 0.000) 0.763 24.182 ( 0.000 1.353 0.000) 1.353 24.751 ( 0.000 -9.623 0.000) 9.623 25.971 ( 0.000 11.010 0.000) 11.010 26.609 ( 0.000 -7.473 0.000) 7.473 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -8.861 42.856 0.000) 43.763 2.014 ( 9.010 41.124 0.000) 42.099 3.396 ( 42.188 57.145 0.000) 71.030 3.863 ( -13.757 -7.483 0.000) 15.661 4.236 ( -12.565 -32.529 0.000) 34.872 4.491 ( 1.902 2.249 0.000) 2.945 4.677 ( 11.878 10.278 0.000) 15.707 4.878 ( -6.303 13.225 0.000) 14.650 5.152 ( -11.425 13.032 0.000) 17.331 5.469 ( -1.218 -7.483 0.000) 7.581 5.615 ( 6.265 2.248 0.000) 6.656 6.092 ( -9.092 11.016 0.000) 14.283 6.278 ( -2.447 6.259 0.000) 6.720 6.589 ( -4.149 -9.765 0.000) 10.609 6.690 ( 15.682 -16.586 0.000) 22.826 6.961 ( 9.364 -6.626 0.000) 11.471 7.226 ( -6.246 -6.824 0.000) 9.251 7.358 ( 18.951 -11.889 0.000) 22.371 7.413 ( 1.920 -5.635 0.000) 5.953 7.544 ( -5.449 -18.081 0.000) 18.884 8.023 ( -2.859 2.165 0.000) 3.586 8.557 ( -1.578 -2.545 0.000) 2.994 9.235 ( -11.037 2.247 0.000) 11.263 9.751 ( 12.379 13.482 0.000) 18.304 9.833 ( -8.901 11.261 0.000) 14.354 10.391 ( -3.455 -2.702 0.000) 4.386 10.651 ( 7.950 -13.170 0.000) 15.383 11.437 ( -2.403 -19.041 0.000) 19.192 12.419 ( -3.835 11.305 0.000) 11.938 12.606 ( -9.733 5.106 0.000) 10.991 12.800 ( 1.020 0.872 0.000) 1.342 13.024 ( 9.723 -6.434 0.000) 11.659 13.653 ( -5.786 10.361 0.000) 11.867 14.449 ( -10.680 -13.096 0.000) 16.899 16.655 ( 7.895 18.406 0.000) 20.028 17.827 ( 4.223 -15.410 0.000) 15.978 18.200 ( -4.391 3.059 0.000) 5.351 18.665 ( 2.287 -11.160 0.000) 11.392 19.517 ( -6.109 7.716 0.000) 9.842 19.552 ( 1.646 4.774 0.000) 5.050 23.361 ( 1.504 0.941 0.000) 1.774 23.459 ( 3.817 -1.771 0.000) 4.208 24.098 ( -0.270 1.032 0.000) 1.066 24.156 ( 0.883 -0.498 0.000) 1.014 24.242 ( 8.581 5.719 0.000) 10.312 24.767 ( 2.229 -8.284 0.000) 8.579 25.880 ( -7.582 12.839 0.000) 14.911 26.594 ( -2.511 -9.804 0.000) 10.120 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 6.557 23.327 0.000) 24.231 2.280 ( 16.301 29.947 0.000) 34.096 3.529 ( -16.992 -22.841 0.000) 28.468 3.950 ( -9.431 -10.846 0.000) 14.373 4.265 ( 20.955 37.425 0.000) 42.892 4.466 ( 1.748 6.871 0.000) 7.090 4.734 ( -8.355 -6.404 0.000) 10.527 4.815 ( 0.943 23.085 0.000) 23.105 5.184 ( 20.487 9.627 0.000) 22.636 5.418 ( -2.372 -0.919 0.000) 2.543 5.757 ( 5.619 11.284 0.000) 12.606 5.881 ( -5.739 11.624 0.000) 12.963 6.285 ( 2.421 3.432 0.000) 4.200 6.440 ( -9.442 -5.883 0.000) 11.125 6.954 ( 1.263 -0.804 0.000) 1.497 7.074 ( -2.107 -6.317 0.000) 6.659 7.295 ( -5.221 -10.966 0.000) 12.146 7.324 ( 16.242 -19.770 0.000) 25.586 7.545 ( 7.472 -8.534 0.000) 11.343 7.727 ( 11.108 -8.157 0.000) 13.782 7.972 ( 0.824 0.055 0.000) 0.826 8.566 ( 3.788 1.111 0.000) 3.947 9.045 ( -6.959 -6.597 0.000) 9.589 9.584 ( -14.016 11.519 0.000) 18.142 9.905 ( -0.749 -3.571 0.000) 3.649 10.401 ( 6.558 13.250 0.000) 14.784 10.799 ( 4.716 -22.884 0.000) 23.365 11.404 ( -0.441 -12.585 0.000) 12.592 12.292 ( -12.467 13.213 0.000) 18.166 12.423 ( -3.818 5.685 0.000) 6.849 12.720 ( -9.312 -1.862 0.000) 9.497 13.078 ( -4.786 -1.453 0.000) 5.002 13.633 ( 4.538 -1.034 0.000) 4.654 14.219 ( -9.840 -12.055 0.000) 15.561 16.852 ( 10.846 16.201 0.000) 19.497 17.892 ( -0.356 -11.486 0.000) 11.491 18.185 ( 5.209 0.632 0.000) 5.247 18.700 ( 0.830 -12.350 0.000) 12.378 19.343 ( -9.978 14.193 0.000) 17.349 19.576 ( -0.252 4.613 0.000) 4.620 23.411 ( 3.053 1.097 0.000) 3.244 23.532 ( 2.843 -1.558 0.000) 3.242 24.093 ( -0.060 0.197 0.000) 0.206 24.154 ( -0.549 -0.916 0.000) 1.068 24.482 ( 13.492 3.636 0.000) 13.973 24.873 ( 8.574 -6.431 0.000) 10.718 25.701 ( -9.492 12.911 0.000) 16.025 26.477 ( -8.997 -10.859 0.000) 14.102 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 16.994 6.900 0.000) 18.342 2.633 ( 16.599 15.888 0.000) 22.977 3.252 ( -10.298 -25.657 0.000) 27.646 3.604 ( -21.637 -4.479 0.000) 22.096 4.282 ( -10.568 28.732 0.000) 30.614 4.407 ( -0.156 4.158 0.000) 4.160 4.623 ( -1.238 -6.316 0.000) 6.436 5.123 ( 9.104 19.178 0.000) 21.229 5.321 ( -1.284 -0.055 0.000) 1.286 5.527 ( 1.610 14.075 0.000) 14.166 5.869 ( 2.327 7.192 0.000) 7.559 6.004 ( 15.307 7.646 0.000) 17.110 6.286 ( 4.383 2.903 0.000) 5.257 6.449 ( 13.165 6.338 0.000) 14.611 6.820 ( -6.686 2.222 0.000) 7.046 6.981 ( -7.125 -4.985 0.000) 8.695 7.243 ( -1.605 -9.564 0.000) 9.698 7.517 ( 0.710 10.647 0.000) 10.671 7.681 ( 1.797 -0.097 0.000) 1.800 7.960 ( 15.935 -17.581 0.000) 23.728 8.171 ( 15.783 -8.729 0.000) 18.036 8.727 ( 10.233 -5.059 0.000) 11.415 8.946 ( -2.607 -10.780 0.000) 11.091 9.280 ( -14.325 6.664 0.000) 15.800 9.782 ( -8.443 -9.300 0.000) 12.561 10.455 ( -10.533 5.791 0.000) 12.020 10.896 ( 10.877 -12.390 0.000) 16.487 11.467 ( 7.332 -5.606 0.000) 9.229 11.969 ( -16.944 9.317 0.000) 19.337 12.342 ( -11.937 2.861 0.000) 12.275 12.514 ( -2.760 -1.098 0.000) 2.970 12.925 ( -8.684 -0.043 0.000) 8.684 13.763 ( 6.728 -5.705 0.000) 8.821 14.073 ( -4.895 -9.801 0.000) 10.956 17.093 ( 12.643 15.055 0.000) 19.660 17.806 ( -7.002 -1.718 0.000) 7.209 18.381 ( 11.379 -5.448 0.000) 12.616 18.699 ( -0.778 -10.427 0.000) 10.456 19.157 ( -6.507 11.954 0.000) 13.610 19.513 ( -6.205 2.033 0.000) 6.530 23.475 ( 2.990 1.269 0.000) 3.249 23.566 ( 0.520 -0.283 0.000) 0.592 24.097 ( 0.395 -0.414 0.000) 0.573 24.140 ( -0.787 -0.945 0.000) 1.230 24.763 ( 13.341 2.967 0.000) 13.667 25.125 ( 15.549 -5.806 0.000) 16.597 25.498 ( -10.023 11.161 0.000) 15.001 26.233 ( -14.500 -9.762 0.000) 17.480 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 25.212 1.780 0.000) 25.275 2.905 ( -25.629 -3.584 0.000) 25.878 2.942 ( 14.128 1.900 0.000) 14.255 3.231 ( -13.777 -8.177 0.000) 16.021 4.196 ( 4.256 14.085 0.000) 14.714 4.346 ( -6.935 6.478 0.000) 9.489 4.728 ( 11.155 -4.995 0.000) 12.222 5.009 ( -13.714 -1.134 0.000) 13.761 5.374 ( 3.908 14.594 0.000) 15.109 5.472 ( -5.379 15.193 0.000) 16.117 5.882 ( 4.979 -0.686 0.000) 5.026 6.025 ( -6.566 0.162 0.000) 6.568 6.587 ( 9.033 6.489 0.000) 11.122 6.658 ( -0.499 5.700 0.000) 5.722 6.912 ( 7.494 -1.661 0.000) 7.676 6.928 ( 9.965 7.672 0.000) 12.576 7.185 ( 0.253 1.257 0.000) 1.282 7.388 ( -10.944 14.316 0.000) 18.020 7.841 ( 13.395 3.826 0.000) 13.930 8.094 ( -5.501 -2.263 0.000) 5.948 8.512 ( 14.523 -16.077 0.000) 21.665 8.753 ( -8.776 -13.761 0.000) 16.321 9.034 ( 8.290 -2.732 0.000) 8.729 9.120 ( -0.159 -5.612 0.000) 5.614 9.678 ( 3.347 -7.391 0.000) 8.114 10.025 ( -25.129 -5.616 0.000) 25.749 11.230 ( 18.781 3.951 0.000) 19.192 11.612 ( -17.315 5.860 0.000) 18.279 11.685 ( 12.463 -4.153 0.000) 13.136 11.999 ( -17.297 -4.964 0.000) 17.995 12.586 ( 6.511 0.803 0.000) 6.560 12.744 ( -8.559 -0.539 0.000) 8.576 13.890 ( 5.483 -6.602 0.000) 8.582 13.987 ( -4.123 -7.784 0.000) 8.808 17.363 ( 13.247 12.110 0.000) 17.948 17.618 ( -11.133 6.037 0.000) 12.665 18.573 ( 6.467 -5.417 0.000) 8.436 18.664 ( -2.912 -5.793 0.000) 6.484 19.143 ( 5.776 3.120 0.000) 6.565 19.333 ( -10.484 -0.031 0.000) 10.484 23.528 ( 2.097 1.143 0.000) 2.389 23.560 ( -1.005 0.657 0.000) 1.201 24.108 ( 0.660 -0.771 0.000) 1.015 24.123 ( -0.791 -0.922 0.000) 1.215 25.024 ( 12.149 4.611 0.000) 12.995 25.259 ( -10.211 6.004 0.000) 11.845 25.511 ( 18.128 -4.358 0.000) 18.644 25.894 ( -18.084 -7.714 0.000) 19.661 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.000 43.389 0.000) 43.389 2.806 ( 0.000 41.616 0.000) 41.616 3.585 ( 0.000 -33.755 0.000) 33.755 3.642 ( 0.000 -39.490 0.000) 39.490 4.058 ( 0.000 48.868 0.000) 48.868 4.668 ( 0.000 -12.717 0.000) 12.717 4.731 ( 0.000 26.140 0.000) 26.140 5.029 ( 0.000 7.087 0.000) 7.087 5.247 ( 0.000 -10.983 0.000) 10.983 5.526 ( 0.000 -36.396 0.000) 36.396 5.831 ( 0.000 15.193 0.000) 15.193 5.862 ( 0.000 28.546 0.000) 28.546 6.174 ( 0.000 -8.456 0.000) 8.456 6.453 ( 0.000 -19.417 0.000) 19.417 6.636 ( 0.000 -1.172 0.000) 1.172 6.686 ( 0.000 -1.622 0.000) 1.622 7.054 ( 0.000 3.831 0.000) 3.831 7.186 ( 0.000 -13.880 0.000) 13.880 7.266 ( 0.000 0.464 0.000) 0.464 7.315 ( 0.000 -3.489 0.000) 3.489 8.136 ( 0.000 6.957 0.000) 6.957 8.349 ( 0.000 -12.965 0.000) 12.965 9.592 ( 0.000 11.078 0.000) 11.078 9.766 ( 0.000 -1.721 0.000) 1.721 10.138 ( 0.000 10.115 0.000) 10.115 10.338 ( 0.000 -8.950 0.000) 8.950 10.547 ( 0.000 15.056 0.000) 15.056 10.988 ( 0.000 -24.564 0.000) 24.564 12.636 ( 0.000 6.432 0.000) 6.432 12.732 ( 0.000 -2.559 0.000) 2.559 12.824 ( 0.000 2.579 0.000) 2.579 12.852 ( 0.000 -0.537 0.000) 0.537 14.015 ( 0.000 13.844 0.000) 13.844 14.297 ( 0.000 -13.797 0.000) 13.797 17.001 ( 0.000 21.641 0.000) 21.641 17.424 ( 0.000 -19.513 0.000) 19.513 18.324 ( 0.000 4.365 0.000) 4.365 18.448 ( 0.000 -7.761 0.000) 7.761 19.587 ( 0.000 1.551 0.000) 1.551 19.598 ( 0.000 0.283 0.000) 0.283 23.368 ( 0.000 0.955 0.000) 0.955 23.389 ( 0.000 -1.024 0.000) 1.024 24.129 ( 0.000 0.826 0.000) 0.826 24.143 ( 0.000 -0.375 0.000) 0.375 24.324 ( 0.000 10.273 0.000) 10.273 24.542 ( 0.000 -10.763 0.000) 10.763 26.204 ( 0.000 11.514 0.000) 11.514 26.427 ( 0.000 -10.166 0.000) 10.166 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -16.093 42.522 0.000) 45.465 2.834 ( 2.233 38.744 0.000) 38.808 3.386 ( -19.497 -36.027 0.000) 40.964 3.567 ( -3.292 -32.748 0.000) 32.913 4.415 ( 23.519 26.689 0.000) 35.573 4.680 ( -0.581 -7.190 0.000) 7.214 4.709 ( 6.303 33.253 0.000) 33.845 5.064 ( 1.275 5.172 0.000) 5.327 5.301 ( 4.559 -6.267 0.000) 7.750 5.572 ( -1.708 3.987 0.000) 4.337 5.883 ( 8.840 -16.391 0.000) 18.623 5.935 ( 6.747 18.544 0.000) 19.733 6.165 ( 0.254 -6.458 0.000) 6.463 6.455 ( -3.525 -9.476 0.000) 10.111 6.563 ( 1.256 5.548 0.000) 5.688 6.748 ( 3.161 -14.341 0.000) 14.685 7.067 ( -2.308 -4.390 0.000) 4.960 7.129 ( -3.998 -9.521 0.000) 10.326 7.330 ( 7.418 0.195 0.000) 7.421 7.380 ( 5.537 -2.368 0.000) 6.022 8.129 ( -0.362 9.090 0.000) 9.097 8.374 ( 2.387 -13.164 0.000) 13.379 9.445 ( -12.058 15.999 0.000) 20.034 9.761 ( -3.574 -11.834 0.000) 12.362 10.068 ( -5.641 12.395 0.000) 13.618 10.321 ( -0.134 -11.562 0.000) 11.563 10.617 ( 5.749 16.109 0.000) 17.104 11.023 ( 3.227 -21.151 0.000) 21.395 12.609 ( -1.782 7.145 0.000) 7.364 12.700 ( -6.081 0.363 0.000) 6.092 12.798 ( -0.475 2.665 0.000) 2.707 12.907 ( 2.949 -5.590 0.000) 6.320 13.906 ( -8.761 13.269 0.000) 15.900 14.178 ( -9.987 -13.393 0.000) 16.707 17.061 ( 5.552 20.642 0.000) 21.375 17.471 ( 4.332 -19.211 0.000) 19.693 18.293 ( -2.152 6.190 0.000) 6.553 18.453 ( 0.310 -9.374 0.000) 9.379 19.610 ( -0.050 2.091 0.000) 2.091 19.615 ( 1.922 1.445 0.000) 2.405 23.387 ( 1.967 1.559 0.000) 2.510 23.422 ( 2.881 -1.806 0.000) 3.400 24.121 ( -0.640 1.111 0.000) 1.282 24.141 ( -0.274 -0.910 0.000) 0.950 24.396 ( 6.822 8.885 0.000) 11.202 24.585 ( 4.441 -9.385 0.000) 10.382 26.137 ( -6.215 12.362 0.000) 13.837 26.379 ( -4.731 -11.334 0.000) 12.282 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -10.274 33.257 0.000) 34.808 2.881 ( -3.661 11.618 0.000) 12.181 2.986 ( -10.162 -12.662 0.000) 16.235 3.505 ( -3.304 -26.352 0.000) 26.559 4.525 ( -3.637 3.759 0.000) 5.230 4.614 ( -4.712 -4.934 0.000) 6.823 5.051 ( 0.284 18.400 0.000) 18.402 5.191 ( 8.644 2.009 0.000) 8.875 5.436 ( 5.878 25.276 0.000) 25.950 5.534 ( 16.760 22.878 0.000) 28.360 5.908 ( -6.249 -9.990 0.000) 11.784 6.082 ( 1.328 1.001 0.000) 1.663 6.344 ( 14.202 4.933 0.000) 15.034 6.384 ( -0.463 -0.270 0.000) 0.536 6.711 ( 16.622 -15.375 0.000) 22.643 6.863 ( 4.803 -14.934 0.000) 15.687 6.988 ( -0.930 -3.165 0.000) 3.299 7.047 ( -2.960 -8.449 0.000) 8.952 7.493 ( 7.508 -1.554 0.000) 7.667 7.546 ( 10.012 -5.963 0.000) 11.653 8.132 ( 0.603 13.719 0.000) 13.732 8.444 ( 4.078 -14.220 0.000) 14.793 9.172 ( -12.923 17.940 0.000) 22.109 9.571 ( -13.465 -17.397 0.000) 22.000 9.941 ( -6.932 15.214 0.000) 16.719 10.325 ( -1.669 -21.580 0.000) 21.644 10.768 ( 9.476 18.711 0.000) 20.974 11.122 ( 6.573 -15.621 0.000) 16.948 12.488 ( -12.892 6.575 0.000) 14.472 12.579 ( -4.091 1.851 0.000) 4.490 12.693 ( -9.378 6.153 0.000) 11.217 12.921 ( -2.847 -11.256 0.000) 11.610 13.760 ( -3.442 10.003 0.000) 10.579 13.980 ( -7.368 -11.315 0.000) 13.503 17.214 ( 8.913 18.568 0.000) 20.597 17.584 ( 5.905 -17.345 0.000) 18.323 18.274 ( 1.133 7.222 0.000) 7.310 18.461 ( 0.724 -10.797 0.000) 10.821 19.550 ( -6.157 6.489 0.000) 8.945 19.619 ( -2.516 -0.521 0.000) 2.569 23.444 ( 3.296 2.100 0.000) 3.909 23.491 ( 3.410 -2.344 0.000) 4.138 24.107 ( -0.581 1.068 0.000) 1.215 24.132 ( -0.633 -1.215 0.000) 1.370 24.590 ( 11.663 6.530 0.000) 13.366 24.733 ( 10.042 -7.199 0.000) 12.356 25.967 ( -9.868 13.240 0.000) 16.513 26.234 ( -9.315 -12.751 0.000) 15.791 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 5.394 20.588 0.000) 21.282 2.687 ( -4.248 -23.444 0.000) 23.826 3.034 ( 3.496 16.558 0.000) 16.923 3.382 ( -10.103 -15.440 0.000) 18.452 4.450 ( -2.949 2.742 0.000) 4.027 4.516 ( -3.320 -3.804 0.000) 5.049 4.855 ( -13.613 21.612 0.000) 25.541 5.148 ( -9.205 -8.345 0.000) 12.425 5.541 ( 6.760 12.599 0.000) 14.298 5.756 ( -3.216 0.997 0.000) 3.367 5.894 ( -1.352 3.135 0.000) 3.414 6.072 ( -2.214 -3.791 0.000) 4.390 6.504 ( 18.619 19.735 0.000) 27.132 6.727 ( 14.778 10.030 0.000) 17.861 6.824 ( -2.813 1.270 0.000) 3.086 6.955 ( 8.767 6.553 0.000) 10.946 7.020 ( 1.481 -12.341 0.000) 12.430 7.338 ( 25.444 -23.370 0.000) 34.548 7.678 ( 10.837 0.628 0.000) 10.855 7.767 ( 12.682 -8.221 0.000) 15.114 8.137 ( -0.407 13.649 0.000) 13.655 8.502 ( 0.070 -18.271 0.000) 18.271 8.980 ( -4.423 13.137 0.000) 13.862 9.275 ( -14.265 -11.653 0.000) 18.420 9.776 ( -8.572 13.793 0.000) 16.240 10.184 ( -12.301 -22.642 0.000) 25.767 11.016 ( 14.382 14.680 0.000) 20.551 11.293 ( 9.899 -11.505 0.000) 15.177 12.154 ( -18.346 8.693 0.000) 20.301 12.312 ( -19.622 -6.150 0.000) 20.563 12.597 ( -0.778 9.380 0.000) 9.412 12.810 ( -6.652 -9.789 0.000) 11.836 13.766 ( 2.692 4.523 0.000) 5.263 13.894 ( -1.754 -7.628 0.000) 7.827 17.406 ( 9.249 14.907 0.000) 17.543 17.674 ( 2.172 -10.711 0.000) 10.929 18.360 ( 7.006 3.438 0.000) 7.804 18.495 ( 2.793 -9.028 0.000) 9.450 19.375 ( -9.752 8.729 0.000) 13.088 19.499 ( -8.761 -3.396 0.000) 9.396 23.509 ( 2.744 1.934 0.000) 3.357 23.547 ( 1.817 -1.576 0.000) 2.406 24.099 ( -0.218 0.600 0.000) 0.639 24.118 ( -0.675 -1.118 0.000) 1.306 24.857 ( 13.959 5.998 0.000) 15.193 24.992 ( 14.759 -6.924 0.000) 16.303 25.744 ( -11.640 12.711 0.000) 17.235 26.003 ( -12.981 -12.402 0.000) 17.953 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 17.699 9.461 0.000) 20.069 2.710 ( 1.226 -12.473 0.000) 12.533 3.018 ( -4.516 4.238 0.000) 6.193 3.106 ( -12.896 -4.557 0.000) 13.677 4.414 ( 1.252 6.611 0.000) 6.729 4.499 ( -3.383 1.719 0.000) 3.795 4.675 ( 1.888 6.204 0.000) 6.485 4.884 ( -14.159 -9.554 0.000) 17.081 5.661 ( 4.958 10.882 0.000) 11.958 5.756 ( -2.265 10.263 0.000) 10.510 5.831 ( 2.729 -2.963 0.000) 4.028 5.964 ( -7.012 -6.276 0.000) 9.410 6.746 ( 2.401 5.532 0.000) 6.030 6.776 ( -1.713 4.844 0.000) 5.137 6.862 ( 7.362 1.636 0.000) 7.542 6.986 ( -3.908 -4.862 0.000) 6.238 7.385 ( 20.356 17.596 0.000) 26.907 7.619 ( -0.949 1.810 0.000) 2.044 7.969 ( 14.924 5.179 0.000) 15.797 8.040 ( 7.956 2.144 0.000) 8.240 8.171 ( 7.403 -10.993 0.000) 13.254 8.407 ( -9.520 -19.351 0.000) 21.566 8.975 ( 1.621 -0.386 0.000) 1.666 9.038 ( -7.026 -4.733 0.000) 8.471 9.663 ( 0.664 6.802 0.000) 6.834 9.864 ( -16.356 -10.245 0.000) 19.299 11.341 ( 16.658 7.076 0.000) 18.099 11.506 ( 8.475 -8.392 0.000) 11.927 11.794 ( -13.913 6.765 0.000) 15.471 11.907 ( -17.754 -4.513 0.000) 18.318 12.611 ( 2.106 2.317 0.000) 3.131 12.685 ( -5.052 -4.335 0.000) 6.657 13.828 ( 2.767 0.063 0.000) 2.768 13.870 ( -1.323 -3.817 0.000) 4.040 17.572 ( 6.564 7.826 0.000) 10.215 17.667 ( -2.625 -1.302 0.000) 2.930 18.514 ( 6.298 -0.061 0.000) 6.298 18.561 ( 2.074 -4.105 0.000) 4.599 19.221 ( -2.941 4.227 0.000) 5.149 19.299 ( -9.046 -3.079 0.000) 9.555 23.551 ( 1.370 1.035 0.000) 1.717 23.565 ( 0.056 -0.224 0.000) 0.231 24.098 ( 0.175 -0.076 0.000) 0.191 24.105 ( -0.484 -0.700 0.000) 0.851 25.146 ( 13.551 7.004 0.000) 15.254 25.283 ( 8.914 -5.135 0.000) 10.287 25.525 ( -5.579 7.235 0.000) 9.136 25.712 ( -14.862 -9.775 0.000) 17.788 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 0.000 33.736) 33.736 0.888 ( 0.000 0.000 45.920) 45.920 1.421 ( 0.000 0.000 72.742) 72.742 3.685 ( 0.000 0.000 -5.192) 5.192 3.988 ( 0.000 0.000 -4.231) 4.231 4.276 ( 0.000 0.000 7.688) 7.688 4.480 ( 0.000 0.000 -13.008) 13.008 5.361 ( 0.000 0.000 -21.613) 21.613 5.450 ( 0.000 0.000 -0.575) 0.575 5.628 ( 0.000 0.000 -21.282) 21.282 5.712 ( 0.000 0.000 7.702) 7.702 5.829 ( 0.000 0.000 1.948) 1.948 6.489 ( 0.000 0.000 2.053) 2.053 6.680 ( 0.000 0.000 -20.100) 20.100 6.824 ( 0.000 0.000 4.722) 4.722 7.251 ( 0.000 0.000 -1.652) 1.652 7.311 ( 0.000 0.000 4.681) 4.681 7.408 ( 0.000 0.000 2.801) 2.801 7.805 ( 0.000 0.000 6.761) 6.761 7.820 ( 0.000 0.000 1.658) 1.658 8.440 ( 0.000 0.000 -0.950) 0.950 8.449 ( 0.000 0.000 7.841) 7.841 8.590 ( 0.000 0.000 -5.553) 5.553 9.430 ( 0.000 0.000 4.247) 4.247 9.845 ( 0.000 0.000 12.199) 12.199 10.603 ( 0.000 0.000 0.884) 0.884 10.758 ( 0.000 0.000 -0.708) 0.708 11.832 ( 0.000 0.000 -14.837) 14.837 12.349 ( 0.000 0.000 -11.785) 11.785 12.591 ( 0.000 0.000 -5.356) 5.356 12.805 ( 0.000 0.000 -7.415) 7.415 13.058 ( 0.000 0.000 -2.162) 2.162 13.398 ( 0.000 0.000 12.911) 12.911 15.139 ( 0.000 0.000 19.478) 19.478 15.845 ( 0.000 0.000 -16.813) 16.813 18.188 ( 0.000 0.000 -0.929) 0.929 18.641 ( 0.000 0.000 0.383) 0.383 18.944 ( 0.000 0.000 -1.734) 1.734 19.077 ( 0.000 0.000 5.515) 5.515 19.481 ( 0.000 0.000 12.627) 12.627 23.372 ( 0.000 0.000 0.122) 0.122 23.427 ( 0.000 0.000 -0.153) 0.153 23.490 ( 0.000 0.000 0.502) 0.502 24.070 ( 0.000 0.000 -2.613) 2.613 24.244 ( 0.000 0.000 4.534) 4.534 25.004 ( 0.000 0.000 0.820) 0.820 25.691 ( 0.000 0.000 0.394) 0.394 26.982 ( 0.000 0.000 -4.389) 4.389 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 18.089 0.000 41.542) 45.309 1.292 ( 32.631 0.000 30.029) 44.345 1.788 ( 49.204 0.000 37.760) 62.023 3.764 ( 7.016 0.000 -6.344) 9.459 4.125 ( 3.820 0.000 -0.044) 3.820 4.230 ( 6.007 0.000 2.282) 6.426 4.438 ( -4.244 0.000 -12.195) 12.912 5.196 ( -8.750 0.000 -12.543) 15.293 5.363 ( -25.175 0.000 -4.930) 25.653 5.531 ( -15.134 0.000 5.542) 16.117 5.537 ( 0.255 0.000 -9.086) 9.090 5.758 ( -2.607 0.000 -8.770) 9.150 6.101 ( -7.496 0.000 4.836) 8.921 6.897 ( 1.364 0.000 5.572) 5.736 6.975 ( 5.669 0.000 -12.813) 14.011 7.174 ( -1.980 0.000 2.001) 2.815 7.292 ( -7.202 0.000 2.754) 7.711 7.462 ( 9.544 0.000 -0.702) 9.570 7.796 ( -2.547 0.000 2.837) 3.813 7.817 ( 1.677 0.000 5.571) 5.818 8.329 ( -6.354 0.000 1.214) 6.469 8.622 ( 16.019 0.000 -2.187) 16.168 8.832 ( 15.582 0.000 -2.457) 15.774 9.413 ( -1.730 0.000 5.004) 5.294 9.705 ( -10.167 0.000 10.726) 14.779 10.548 ( -5.182 0.000 -0.019) 5.182 10.974 ( 15.029 0.000 -3.433) 15.416 11.856 ( 1.904 0.000 -13.188) 13.325 11.955 ( -17.362 0.000 -6.705) 18.612 12.488 ( -9.863 0.000 -6.253) 11.678 12.718 ( -0.428 0.000 3.420) 3.447 12.976 ( -7.640 0.000 -2.211) 7.953 13.960 ( 19.937 0.000 -3.209) 20.194 15.002 ( -11.775 0.000 19.602) 22.866 16.088 ( 15.348 0.000 -25.937) 30.138 18.116 ( -7.415 0.000 -3.075) 8.028 18.594 ( -18.968 0.000 23.675) 30.336 18.658 ( 2.272 0.000 0.313) 2.294 19.048 ( 8.715 0.000 1.480) 8.839 19.476 ( -2.439 0.000 13.695) 13.910 23.363 ( 1.511 0.000 0.756) 1.690 23.514 ( 1.905 0.000 0.011) 1.905 23.833 ( 17.525 0.000 -18.121) 25.209 24.070 ( 0.160 0.000 -2.777) 2.782 24.313 ( 6.857 0.000 4.573) 8.242 25.021 ( 1.766 0.000 1.081) 2.071 25.527 ( -9.433 0.000 9.180) 13.163 26.904 ( -6.673 0.000 -3.214) 7.407 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 23.382 0.000 25.393) 34.519 2.028 ( 36.321 0.000 15.785) 39.603 2.743 ( 31.299 0.000 23.266) 38.999 3.895 ( 1.494 0.000 -12.505) 12.594 4.138 ( 11.610 0.000 5.586) 12.884 4.314 ( -6.109 0.000 -5.415) 8.164 4.532 ( 7.901 0.000 -6.616) 10.305 4.769 ( -28.663 0.000 1.053) 28.682 5.132 ( 8.596 0.000 -10.346) 13.451 5.219 ( -12.104 0.000 11.187) 16.481 5.485 ( -2.804 0.000 -7.104) 7.637 5.732 ( -0.557 0.000 -13.592) 13.604 6.100 ( 2.964 0.000 -1.463) 3.306 6.772 ( -10.180 0.000 4.572) 11.160 6.898 ( -11.428 0.000 0.813) 11.457 7.159 ( -6.567 0.000 -5.986) 8.886 7.203 ( 1.626 0.000 0.729) 1.782 7.607 ( 2.829 0.000 1.369) 3.142 7.774 ( 1.472 0.000 2.939) 3.287 7.898 ( 6.272 0.000 1.788) 6.522 8.271 ( 1.644 0.000 1.330) 2.115 8.997 ( 17.441 0.000 -5.765) 18.369 9.120 ( 10.139 0.000 -4.073) 10.926 9.361 ( -2.649 0.000 7.274) 7.741 9.536 ( -3.050 0.000 9.710) 10.178 10.405 ( -8.022 0.000 -1.740) 8.208 11.282 ( 14.463 0.000 -1.472) 14.537 11.684 ( -11.473 0.000 -13.303) 17.567 11.837 ( -8.279 0.000 -6.419) 10.476 12.244 ( -9.278 0.000 -11.364) 14.670 12.719 ( -0.291 0.000 0.254) 0.386 12.766 ( -12.194 0.000 -2.145) 12.381 14.204 ( 7.282 0.000 9.876) 12.271 14.742 ( -11.795 0.000 19.877) 23.113 16.350 ( 11.050 0.000 -19.025) 22.001 17.894 ( -13.620 0.000 -7.870) 15.730 18.483 ( 4.662 0.000 8.994) 10.130 18.724 ( 3.720 0.000 5.526) 6.662 19.239 ( 8.426 0.000 2.983) 8.938 19.396 ( -5.003 0.000 14.662) 15.492 23.408 ( 2.544 0.000 0.523) 2.597 23.545 ( 0.749 0.000 -0.550) 0.929 24.038 ( 4.828 0.000 -10.840) 11.867 24.078 ( 0.505 0.000 -3.065) 3.106 24.522 ( 12.871 0.000 4.074) 13.501 25.090 ( 5.537 0.000 1.663) 5.781 25.375 ( -5.973 0.000 7.465) 9.561 26.715 ( -11.777 0.000 -2.747) 12.093 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 21.313 0.000 7.726) 22.670 2.676 ( 23.003 0.000 7.591) 24.223 2.991 ( 2.049 0.000 22.210) 22.304 3.662 ( -20.266 0.000 -16.165) 25.924 4.185 ( -9.979 0.000 1.758) 10.132 4.409 ( -7.182 0.000 -7.154) 10.137 4.440 ( 0.274 0.000 11.393) 11.396 4.669 ( 21.483 0.000 6.069) 22.324 5.093 ( 0.051 0.000 5.409) 5.410 5.323 ( -0.920 0.000 -9.290) 9.335 5.690 ( 25.668 0.000 -3.641) 25.925 5.739 ( 1.690 0.000 -11.995) 12.114 6.152 ( 3.414 0.000 -3.992) 5.253 6.572 ( -8.507 0.000 0.872) 8.552 6.644 ( -9.975 0.000 1.083) 10.034 7.011 ( -6.086 0.000 -0.574) 6.113 7.187 ( -3.161 0.000 0.444) 3.192 7.564 ( -6.872 0.000 2.594) 7.346 7.838 ( 3.713 0.000 2.019) 4.226 8.011 ( 2.840 0.000 0.357) 2.863 8.415 ( 12.314 0.000 -1.367) 12.390 9.160 ( -1.885 0.000 -2.493) 3.125 9.170 ( -2.274 0.000 -2.378) 3.290 9.374 ( 1.368 0.000 1.882) 2.327 9.682 ( 14.478 0.000 8.020) 16.551 10.271 ( -3.157 0.000 -1.539) 3.512 11.406 ( -11.275 0.000 -17.165) 20.536 11.447 ( -24.325 0.000 -3.623) 24.593 11.596 ( 11.639 0.000 0.889) 11.673 12.214 ( 2.016 0.000 -13.323) 13.474 12.512 ( -10.887 0.000 -1.828) 11.039 12.685 ( -3.282 0.000 -3.738) 4.974 14.320 ( 4.489 0.000 16.142) 16.755 14.553 ( -6.571 0.000 19.906) 20.962 16.585 ( 12.549 0.000 -14.119) 18.889 17.579 ( -16.688 0.000 -10.663) 19.804 18.671 ( 11.619 0.000 1.516) 11.718 18.803 ( 3.977 0.000 9.576) 10.369 19.286 ( -5.232 0.000 15.081) 15.963 19.347 ( 1.508 0.000 3.224) 3.560 23.460 ( 2.400 0.000 0.273) 2.415 23.546 ( -0.445 0.000 -0.568) 0.721 24.088 ( 0.515 0.000 -3.258) 3.299 24.092 ( 1.136 0.000 -6.162) 6.266 24.790 ( 11.802 0.000 3.329) 12.263 25.259 ( -5.662 0.000 5.336) 7.780 25.281 ( 13.654 0.000 1.815) 13.774 26.423 ( -16.447 0.000 -1.838) 16.550 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 15.937 0.000 -2.402) 16.117 2.780 ( -11.699 0.000 1.266) 11.768 3.098 ( 9.569 0.000 18.111) 20.484 3.324 ( -11.602 0.000 -2.753) 11.924 4.119 ( 3.660 0.000 0.837) 3.755 4.234 ( -7.275 0.000 -6.833) 9.981 4.550 ( 10.244 0.000 13.940) 17.299 4.803 ( -8.791 0.000 10.347) 13.577 5.176 ( 5.966 0.000 -2.380) 6.423 5.278 ( -3.319 0.000 -6.050) 6.901 5.822 ( 6.318 0.000 -7.365) 9.704 5.933 ( -1.782 0.000 -2.026) 2.698 6.367 ( 4.624 0.000 -9.446) 10.517 6.434 ( -4.835 0.000 -4.393) 6.533 6.707 ( 24.055 0.000 -0.193) 24.056 6.997 ( 5.629 0.000 5.199) 7.662 7.074 ( -8.204 0.000 1.688) 8.376 7.302 ( -19.108 0.000 1.814) 19.193 7.912 ( 3.739 0.000 2.648) 4.582 7.993 ( -3.605 0.000 2.119) 4.182 8.754 ( 19.507 0.000 -4.366) 19.989 9.081 ( -6.608 0.000 -1.988) 6.901 9.133 ( -0.496 0.000 -0.269) 0.565 9.224 ( -12.519 0.000 -1.797) 12.647 10.011 ( 16.045 0.000 8.184) 18.012 10.247 ( -4.207 0.000 5.297) 6.765 11.066 ( -7.805 0.000 -11.264) 13.705 11.147 ( -11.480 0.000 -16.621) 20.200 11.859 ( 12.963 0.000 -0.920) 12.996 12.117 ( -11.383 0.000 -4.793) 12.351 12.458 ( 4.978 0.000 -7.150) 8.713 12.585 ( -6.144 0.000 -6.753) 9.130 14.396 ( 3.064 0.000 18.804) 19.052 14.457 ( -3.320 0.000 19.670) 19.948 16.877 ( 15.839 0.000 -12.364) 20.094 17.224 ( -17.497 0.000 -11.654) 21.023 18.876 ( 5.843 0.000 2.439) 6.332 18.882 ( 3.214 0.000 9.249) 9.792 19.220 ( 0.427 0.000 12.413) 12.420 19.303 ( -5.032 0.000 5.104) 7.168 23.502 ( 1.716 0.000 -0.033) 1.716 23.530 ( -1.045 0.000 -0.337) 1.098 24.098 ( 0.357 0.000 -3.553) 3.571 24.102 ( 0.017 0.000 -4.278) 4.278 24.989 ( 8.019 0.000 3.553) 8.770 25.136 ( -6.484 0.000 4.235) 7.745 25.636 ( 19.796 0.000 0.799) 19.812 26.049 ( -19.680 0.000 -0.585) 19.689 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 18.109 34.520) 38.982 1.143 ( 0.000 37.788 18.097) 41.898 2.105 ( 0.000 57.259 47.644) 74.489 3.836 ( 0.000 12.165 -8.538) 14.862 4.037 ( 0.000 5.094 -5.466) 7.472 4.329 ( 0.000 4.295 -5.863) 7.268 4.646 ( 0.000 15.834 1.953) 15.954 5.131 ( 0.000 -24.582 3.563) 24.839 5.179 ( 0.000 -13.133 -19.398) 23.426 5.566 ( 0.000 -8.083 -21.145) 22.638 5.726 ( 0.000 -0.529 8.610) 8.627 5.978 ( 0.000 9.927 -0.775) 9.957 6.302 ( 0.000 -11.481 10.007) 15.230 6.547 ( 0.000 5.101 1.039) 5.205 6.820 ( 0.000 -1.302 0.789) 1.523 7.150 ( 0.000 -3.051 -5.040) 5.891 7.179 ( 0.000 -10.267 5.750) 11.767 7.424 ( 0.000 -2.013 4.045) 4.518 7.725 ( 0.000 -19.013 8.371) 20.775 7.914 ( 0.000 -6.432 -8.290) 10.492 8.053 ( 0.000 -3.363 1.687) 3.763 8.581 ( 0.000 0.772 -4.956) 5.016 8.992 ( 0.000 26.930 0.288) 26.931 9.508 ( 0.000 -0.658 2.094) 2.195 9.867 ( 0.000 5.027 10.391) 11.543 10.498 ( 0.000 -8.679 -3.858) 9.498 10.758 ( 0.000 -1.233 4.483) 4.649 11.854 ( 0.000 -5.593 -9.808) 11.291 12.218 ( 0.000 -6.242 -9.254) 11.162 12.605 ( 0.000 1.125 -6.886) 6.978 12.815 ( 0.000 0.979 -6.151) 6.229 12.840 ( 0.000 -6.658 12.323) 14.006 13.462 ( 0.000 8.605 0.643) 8.629 14.946 ( 0.000 -14.984 10.631) 18.372 16.081 ( 0.000 19.016 -8.496) 20.828 18.076 ( 0.000 -11.154 3.064) 11.568 18.354 ( 0.000 -5.840 8.293) 10.143 18.843 ( 0.000 -8.534 -0.342) 8.541 19.468 ( 0.000 12.793 -5.245) 13.826 19.542 ( 0.000 4.700 11.181) 12.129 23.348 ( 0.000 -0.166 0.625) 0.646 23.421 ( 0.000 -0.495 -0.141) 0.514 23.772 ( 0.000 14.700 -10.028) 17.795 24.075 ( 0.000 0.495 -2.564) 2.611 24.249 ( 0.000 0.594 5.629) 5.661 24.939 ( 0.000 -5.923 1.773) 6.183 25.767 ( 0.000 6.914 -0.640) 6.943 26.797 ( 0.000 -11.019 1.701) 11.149 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 21.116 7.200 26.405) 34.568 1.499 ( 17.974 26.592 28.871) 43.171 2.555 ( 38.928 52.270 28.603) 71.174 3.829 ( 2.081 3.449 -5.853) 7.105 4.171 ( 2.207 2.567 -13.035) 13.468 4.335 ( 5.149 13.485 0.831) 14.459 4.592 ( -0.546 11.913 -0.057) 11.925 4.862 ( -16.984 -21.669 -4.010) 27.823 5.237 ( -5.292 -13.342 -6.869) 15.912 5.493 ( -8.368 -1.905 -5.844) 10.383 5.624 ( -3.754 -0.389 -8.096) 8.933 5.837 ( -11.015 10.209 0.450) 15.025 6.158 ( -3.821 4.631 2.876) 6.657 6.756 ( 4.505 -13.909 -0.555) 14.631 6.855 ( 3.906 -3.244 0.713) 5.128 7.124 ( 4.927 -2.345 2.443) 5.979 7.235 ( -1.051 1.854 0.866) 2.300 7.534 ( 5.985 -3.351 -4.240) 8.064 7.764 ( 0.241 -9.276 5.236) 10.655 7.824 ( -2.158 -7.257 2.734) 8.050 8.080 ( 2.818 -10.627 2.468) 11.268 8.517 ( -0.809 -1.055 -2.921) 3.209 9.174 ( 9.983 17.049 -2.229) 19.883 9.467 ( -1.068 3.310 2.779) 4.452 9.745 ( -8.378 6.479 10.531) 14.936 10.460 ( -4.869 -8.018 -3.431) 9.988 10.914 ( 12.505 -5.579 1.642) 13.791 11.758 ( -7.944 -11.199 -4.671) 14.503 12.041 ( -5.226 8.802 -13.192) 16.698 12.505 ( -11.478 2.432 -4.583) 12.596 12.724 ( 0.471 0.470 -0.864) 1.091 13.036 ( -1.751 2.552 -4.716) 5.641 13.704 ( 18.190 -12.776 5.315) 22.855 14.839 ( -9.551 -13.867 13.198) 21.394 16.213 ( 10.625 13.529 -13.499) 21.867 18.051 ( -4.589 -8.481 -2.520) 9.967 18.269 ( -3.126 -6.096 9.009) 11.317 18.914 ( 5.563 -9.334 1.035) 10.915 19.247 ( -12.224 22.621 4.003) 26.022 19.566 ( 0.378 6.900 11.959) 13.812 23.358 ( 1.546 -0.194 0.582) 1.663 23.488 ( 3.750 -1.765 -0.509) 4.176 23.914 ( 8.884 5.850 -12.717) 16.579 24.079 ( 0.576 0.834 -2.959) 3.128 24.311 ( 6.484 0.244 6.451) 9.150 24.948 ( 1.402 -5.969 2.663) 6.685 25.650 ( -8.254 9.740 3.208) 13.164 26.778 ( -3.332 -9.715 -1.731) 10.415 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 25.426 -3.759 22.428) 34.113 1.934 ( 26.529 13.709 18.282) 35.013 3.304 ( 21.772 38.397 10.669) 45.412 3.892 ( 1.256 -6.392 -0.827) 6.567 4.150 ( -0.724 0.047 -17.020) 17.035 4.327 ( 0.184 8.714 4.499) 9.808 4.454 ( -15.277 -6.855 0.533) 16.753 4.914 ( 16.431 16.252 1.898) 23.189 5.061 ( -3.942 -9.736 -0.806) 10.535 5.269 ( -6.996 6.650 -2.645) 10.009 5.598 ( -2.910 5.535 -6.660) 9.136 5.684 ( -0.948 0.153 -7.329) 7.392 6.157 ( 2.014 4.533 -2.388) 5.505 6.615 ( -9.998 -9.755 2.740) 14.235 6.946 ( -3.955 -0.496 -4.002) 5.648 7.155 ( -4.073 1.386 2.076) 4.777 7.249 ( 2.972 3.620 -0.709) 4.737 7.525 ( -3.090 -8.062 -3.390) 9.276 7.771 ( -3.196 0.559 4.232) 5.333 7.904 ( 13.333 -5.746 2.442) 14.723 8.144 ( 2.739 -8.995 2.549) 9.742 8.670 ( 14.389 -15.746 -1.928) 21.417 9.244 ( -1.053 -2.913 2.342) 3.883 9.409 ( -8.898 7.392 2.649) 11.868 9.738 ( 9.260 16.395 5.173) 19.527 10.321 ( -7.200 -6.995 -4.513) 11.006 11.171 ( 10.651 -10.847 -0.399) 15.207 11.585 ( -8.842 -7.382 -6.560) 13.255 11.976 ( -5.963 10.637 -7.087) 14.104 12.240 ( -10.268 1.128 -10.484) 14.718 12.679 ( -6.087 -1.404 -3.764) 7.293 12.904 ( -7.680 8.342 -4.218) 12.098 13.994 ( 9.957 -15.796 11.962) 22.175 14.622 ( -9.913 -11.090 16.815) 22.450 16.444 ( 11.384 10.039 -14.485) 20.981 17.871 ( -11.143 -3.183 -10.698) 15.772 18.335 ( 8.048 -6.705 6.727) 12.449 19.005 ( 1.744 -4.261 0.216) 4.609 19.079 ( -3.992 12.014 12.919) 18.088 19.571 ( 0.039 9.931 12.242) 15.764 23.403 ( 2.656 -0.159 0.308) 2.678 23.543 ( 1.576 -0.323 -0.625) 1.726 24.025 ( 2.470 -0.583 -7.919) 8.316 24.102 ( 1.317 1.608 -4.282) 4.760 24.518 ( 12.812 0.088 5.442) 13.921 25.022 ( 6.445 -5.176 2.808) 8.730 25.490 ( -7.315 9.212 3.930) 12.402 26.637 ( -10.291 -7.168 -2.782) 12.846 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 17.702 -2.346 14.011) 22.697 2.508 ( 25.271 0.220 11.771) 27.879 3.387 ( -7.467 20.823 1.834) 22.197 3.652 ( -18.941 -5.175 -5.258) 20.327 4.014 ( -8.994 -9.954 1.780) 13.533 4.223 ( 0.920 2.131 -2.471) 3.390 4.704 ( 4.637 6.410 0.435) 7.923 4.889 ( 6.378 11.979 9.095) 16.337 5.110 ( 1.735 9.050 -1.037) 9.273 5.378 ( 0.499 5.305 -0.566) 5.358 5.706 ( 6.470 1.355 -11.391) 13.170 5.804 ( 23.280 7.335 -3.256) 24.625 6.186 ( 1.377 2.810 -3.643) 4.803 6.465 ( -2.629 -5.088 0.633) 5.762 6.749 ( -11.078 4.832 -0.524) 12.097 7.023 ( -6.348 0.827 0.407) 6.415 7.252 ( -2.753 4.605 -1.923) 5.699 7.454 ( -6.242 -7.922 -0.650) 10.107 7.757 ( 2.696 -3.204 4.591) 6.214 8.158 ( 4.367 7.385 2.745) 9.008 8.280 ( 15.699 -11.458 -3.490) 19.746 8.958 ( 9.652 -17.044 -2.700) 19.773 9.204 ( -7.747 2.632 2.010) 8.425 9.221 ( -1.139 -8.172 4.246) 9.279 9.862 ( -0.447 5.123 2.358) 5.657 10.265 ( 2.909 3.929 -1.929) 5.255 11.160 ( -12.520 -14.310 -8.530) 20.839 11.554 ( 7.299 -2.143 1.136) 7.692 11.688 ( -16.336 11.525 -7.974) 21.524 12.196 ( 0.424 -0.777 -11.900) 11.932 12.494 ( -8.592 -1.213 -3.710) 9.436 12.769 ( -6.218 5.934 -5.635) 10.278 14.147 ( 5.669 -13.679 15.753) 21.620 14.465 ( -5.432 -8.493 18.978) 21.490 16.688 ( 12.780 9.693 -13.407) 20.905 17.613 ( -13.961 1.974 -13.620) 19.604 18.542 ( 10.742 -6.739 3.358) 13.118 19.001 ( 0.321 10.127 7.760) 12.763 19.046 ( -1.207 -10.297 10.244) 14.575 19.549 ( -2.738 9.498 11.688) 15.308 23.458 ( 2.483 0.021 -0.121) 2.486 23.556 ( -0.116 0.719 -0.395) 0.828 24.055 ( 0.840 -1.703 -5.366) 5.692 24.120 ( 0.431 1.144 -3.479) 3.688 24.784 ( 12.019 -0.030 4.195) 12.730 25.231 ( 13.396 -3.013 1.702) 13.836 25.345 ( -6.126 6.251 3.933) 9.595 26.368 ( -15.628 -5.398 -2.021) 16.657 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 17.740 -0.749 4.829) 18.400 2.828 ( -3.391 3.564 -0.924) 5.005 3.073 ( -6.415 -1.464 12.653) 14.262 3.398 ( -9.957 3.644 2.253) 10.840 4.006 ( 6.576 -5.016 -2.188) 8.556 4.244 ( -0.610 1.148 -0.434) 1.370 4.650 ( -1.246 8.028 1.760) 8.312 5.013 ( 1.149 1.213 5.434) 5.685 5.103 ( -3.378 10.968 0.195) 11.478 5.350 ( -0.843 4.895 1.417) 5.165 5.831 ( 6.310 1.950 -7.218) 9.784 5.998 ( -3.028 4.119 -0.224) 5.117 6.372 ( 4.218 1.885 -11.405) 12.305 6.489 ( -1.366 3.782 -3.330) 5.221 6.756 ( 21.584 5.236 -0.054) 22.210 6.996 ( 3.501 -0.438 2.779) 4.491 7.146 ( -7.031 4.968 0.574) 8.628 7.245 ( -13.947 -2.500 0.980) 14.203 7.864 ( 7.147 -1.931 3.170) 8.054 8.101 ( -7.910 6.678 4.576) 11.318 8.670 ( 18.586 -7.260 -6.583) 21.012 9.009 ( -1.738 -10.804 0.709) 10.966 9.091 ( -3.125 -1.436 1.306) 3.679 9.172 ( -7.147 -4.031 -5.516) 9.887 9.907 ( 9.101 -9.394 5.488) 14.185 10.218 ( -11.033 -2.852 7.578) 13.685 11.029 ( 4.465 1.251 -13.167) 13.960 11.326 ( -14.940 11.735 -11.240) 22.074 11.802 ( 12.438 -4.943 -0.602) 13.398 12.063 ( -11.845 -4.697 -4.270) 13.438 12.480 ( 5.543 1.681 -7.673) 9.614 12.629 ( -7.243 3.185 -7.212) 10.706 14.236 ( 2.722 -12.619 16.278) 20.775 14.387 ( -2.271 -7.044 20.709) 21.992 16.973 ( 14.690 8.229 -13.710) 21.714 17.307 ( -15.335 6.962 -13.474) 21.568 18.714 ( 4.743 -6.999 3.861) 9.295 18.989 ( -1.543 -6.785 14.199) 15.812 19.077 ( 3.735 2.664 1.796) 4.927 19.465 ( -4.111 8.067 13.662) 16.390 23.499 ( 1.363 0.017 -0.850) 1.606 23.547 ( -0.589 1.210 0.260) 1.370 24.066 ( 0.267 -1.823 -4.883) 5.219 24.123 ( 0.028 0.848 -2.651) 2.784 24.998 ( 8.922 1.237 3.504) 9.665 25.182 ( -7.608 4.293 3.848) 9.546 25.602 ( 19.464 -3.321 0.622) 19.756 26.008 ( -19.028 -4.054 -0.684) 19.467 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 42.113 -1.703) 42.147 1.976 ( 0.000 42.439 8.869) 43.356 3.314 ( 0.000 58.255 37.088) 69.059 3.926 ( 0.000 -10.788 -15.060) 18.525 4.144 ( 0.000 -0.149 -9.771) 9.772 4.441 ( 0.000 6.332 -12.916) 14.385 4.591 ( 0.000 -21.991 6.926) 23.056 4.932 ( 0.000 5.275 -3.987) 6.612 5.162 ( 0.000 20.050 -4.373) 20.521 5.355 ( 0.000 -10.792 -15.612) 18.979 5.722 ( 0.000 3.399 12.433) 12.889 6.108 ( 0.000 3.297 -5.508) 6.419 6.361 ( 0.000 11.244 2.716) 11.567 6.604 ( 0.000 -17.254 5.682) 18.165 6.655 ( 0.000 -6.238 0.558) 6.263 6.958 ( 0.000 -16.688 -5.519) 17.577 6.986 ( 0.000 -3.856 5.623) 6.818 7.354 ( 0.000 -9.055 2.825) 9.485 7.380 ( 0.000 -3.138 3.264) 4.528 7.608 ( 0.000 -19.309 -1.161) 19.343 8.095 ( 0.000 3.332 3.885) 5.118 8.569 ( 0.000 -4.204 -1.846) 4.592 9.451 ( 0.000 -0.279 2.933) 2.947 9.517 ( 0.000 23.042 -0.859) 23.058 10.028 ( 0.000 9.291 8.487) 12.584 10.303 ( 0.000 -8.850 -8.599) 12.339 10.695 ( 0.000 -4.412 9.608) 10.572 11.491 ( 0.000 -23.993 -0.287) 23.995 12.291 ( 0.000 8.467 -16.217) 18.294 12.618 ( 0.000 -0.311 -10.280) 10.284 12.826 ( 0.000 2.201 4.910) 5.380 12.843 ( 0.000 1.587 -3.127) 3.507 13.696 ( 0.000 13.402 -2.917) 13.716 14.621 ( 0.000 -16.218 3.448) 16.581 16.518 ( 0.000 22.831 -2.663) 22.986 17.794 ( 0.000 -16.153 2.565) 16.355 18.319 ( 0.000 0.514 4.142) 4.174 18.649 ( 0.000 -9.697 1.035) 9.752 19.617 ( 0.000 4.092 2.746) 4.928 19.631 ( 0.000 3.547 9.648) 10.279 23.353 ( 0.000 0.574 0.212) 0.612 23.407 ( 0.000 -0.854 -0.109) 0.861 23.996 ( 0.000 7.758 -7.224) 10.601 24.088 ( 0.000 0.712 -2.547) 2.645 24.281 ( 0.000 3.189 7.680) 8.316 24.785 ( 0.000 -8.806 3.484) 9.470 25.946 ( 0.000 10.247 -2.394) 10.523 26.595 ( 0.000 -9.558 -1.791) 9.724 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -0.719 36.169 2.272) 36.248 2.185 ( 11.797 37.981 15.818) 42.801 3.621 ( 19.409 37.659 12.377) 44.137 3.795 ( -1.588 0.906 1.190) 2.182 4.206 ( -5.189 -4.364 -18.851) 20.033 4.342 ( -5.769 -16.496 3.208) 17.768 4.615 ( 11.171 3.640 -4.805) 12.694 4.890 ( -6.249 12.773 2.033) 14.364 5.196 ( 1.231 14.888 -2.310) 15.117 5.361 ( 0.960 -6.772 -11.966) 13.782 5.645 ( -5.530 4.444 4.525) 8.415 6.051 ( -6.321 8.008 -4.128) 11.005 6.277 ( -4.871 6.680 1.388) 8.383 6.576 ( -1.544 -5.083 -1.272) 5.462 6.759 ( 7.637 -10.619 2.325) 13.286 6.987 ( 11.651 -13.122 5.427) 18.368 7.224 ( 0.368 -6.459 -5.135) 8.260 7.304 ( 4.606 -16.386 1.220) 17.065 7.458 ( 2.905 -6.567 1.806) 7.404 7.574 ( 2.072 -14.476 4.576) 15.323 8.067 ( -2.504 3.132 4.114) 5.745 8.539 ( -2.064 0.083 -1.944) 2.836 9.263 ( -10.443 -0.391 3.122) 10.907 9.714 ( 9.491 15.076 -2.006) 17.927 9.931 ( -7.161 8.939 7.955) 13.945 10.285 ( -2.165 -5.521 -8.046) 9.995 10.763 ( 5.987 -8.527 8.837) 13.662 11.438 ( -3.294 -18.974 -0.784) 19.274 12.250 ( -2.132 10.632 -15.151) 18.632 12.594 ( -9.612 5.546 -4.839) 12.107 12.710 ( -0.690 -2.131 -5.809) 6.226 13.008 ( 5.982 -3.587 -2.679) 7.472 13.684 ( 0.570 8.277 3.361) 8.951 14.526 ( -8.119 -15.751 6.475) 18.866 16.580 ( 5.748 20.786 -5.641) 22.292 17.791 ( -0.872 -15.659 -2.157) 15.831 18.250 ( -3.581 2.002 4.407) 6.021 18.696 ( 3.246 -11.058 2.322) 11.756 19.543 ( -4.403 8.274 4.811) 10.536 19.700 ( 3.131 5.434 11.099) 12.749 23.364 ( 1.442 0.779 0.262) 1.660 23.453 ( 3.563 -1.674 -0.493) 3.968 24.018 ( 0.968 3.717 -7.009) 7.993 24.103 ( 1.445 1.392 -3.452) 3.992 24.345 ( 6.601 3.565 7.815) 10.833 24.805 ( 2.351 -7.866 3.743) 9.022 25.868 ( -6.738 11.334 -1.243) 13.244 26.569 ( -3.104 -10.611 -2.615) 11.361 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 13.298 16.601 11.706) 24.278 2.426 ( 12.801 29.419 15.753) 35.742 3.479 ( -14.004 -23.943 -3.938) 28.016 3.957 ( -4.670 7.677 -11.090) 14.273 4.118 ( -9.009 -9.291 -5.673) 14.131 4.451 ( 15.490 23.394 3.700) 28.301 4.732 ( -4.056 13.657 2.042) 14.392 4.928 ( 13.265 7.735 4.097) 15.893 5.279 ( 11.356 14.122 7.400) 19.575 5.332 ( -0.898 0.264 -5.999) 6.071 5.637 ( 5.031 8.398 -11.266) 14.925 5.905 ( -4.937 14.799 1.695) 15.692 6.246 ( 1.524 3.212 -3.308) 4.856 6.465 ( -7.817 -3.584 1.948) 8.817 6.945 ( 3.482 -0.329 -1.941) 4.000 7.058 ( -5.203 -7.478 -1.121) 9.179 7.242 ( -4.615 -16.419 -6.060) 18.100 7.360 ( 11.401 -10.309 4.399) 15.988 7.533 ( 8.393 -12.660 -0.126) 15.191 7.781 ( 9.292 -6.863 4.820) 12.517 8.035 ( 2.437 -0.482 5.967) 6.463 8.531 ( 2.641 1.579 -3.102) 4.369 9.084 ( -6.386 -8.509 3.959) 11.351 9.646 ( -12.916 14.277 5.537) 20.033 9.872 ( -3.632 -9.284 -2.944) 10.395 10.329 ( 8.853 12.550 -6.306) 16.602 10.872 ( 2.415 -16.704 6.567) 18.110 11.400 ( 0.090 -11.001 -0.642) 11.020 12.197 ( -6.291 9.487 -10.665) 15.599 12.344 ( -10.504 9.679 -7.132) 15.965 12.631 ( -7.998 -4.013 -7.627) 11.757 13.002 ( -5.740 -0.522 -7.154) 9.187 13.766 ( 6.456 -3.674 11.950) 14.071 14.356 ( -6.971 -13.540 12.453) 19.672 16.736 ( 9.000 17.212 -10.160) 21.920 17.734 ( -4.689 -10.348 -12.742) 17.071 18.267 ( 5.649 0.156 7.374) 9.290 18.749 ( 1.758 -12.986 3.713) 13.620 19.423 ( -7.180 13.240 8.710) 17.399 19.740 ( 0.376 6.463 13.889) 15.324 23.410 ( 2.805 0.910 -0.060) 2.949 23.525 ( 2.917 -1.520 -0.687) 3.360 24.024 ( 0.015 0.381 -5.911) 5.923 24.129 ( 0.777 0.914 -3.122) 3.344 24.546 ( 12.231 2.973 6.078) 13.978 24.906 ( 8.009 -6.184 3.321) 10.650 25.703 ( -8.861 11.413 0.271) 14.452 26.448 ( -8.850 -10.911 -2.919) 14.349 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 16.769 4.815 16.532) 24.036 2.712 ( 13.442 15.381 8.628) 22.174 3.257 ( -6.814 -22.045 1.471) 23.121 3.661 ( -20.195 -0.994 2.698) 20.398 4.032 ( -2.009 5.309 -18.069) 18.939 4.432 ( -4.857 16.408 1.774) 17.203 4.646 ( -4.810 -4.583 -0.578) 6.669 5.176 ( -4.560 5.138 0.822) 6.919 5.295 ( 9.507 14.713 2.300) 17.668 5.588 ( 3.914 9.622 2.856) 10.773 5.821 ( 4.491 12.205 -3.498) 13.467 6.017 ( 20.282 11.603 0.510) 23.372 6.230 ( -1.049 1.609 -5.204) 5.547 6.456 ( 10.161 6.857 1.252) 12.321 6.825 ( -7.722 2.538 0.009) 8.129 6.929 ( -5.773 -7.960 -4.297) 10.731 7.234 ( -0.355 -10.222 -1.687) 10.367 7.460 ( -0.677 9.821 -4.531) 10.837 7.745 ( 4.492 -3.184 5.234) 7.597 7.938 ( 14.705 -12.467 -1.681) 19.351 8.238 ( 13.373 -6.784 6.549) 16.363 8.657 ( 7.900 -7.406 -5.454) 12.125 8.991 ( -3.289 -12.946 3.242) 13.745 9.350 ( -14.165 10.130 6.429) 18.563 9.735 ( -7.305 -12.085 -4.000) 14.677 10.477 ( -3.748 8.238 0.634) 9.073 10.866 ( 3.956 -9.962 -1.314) 10.799 11.475 ( 7.120 -5.802 0.259) 9.188 11.909 ( -16.950 9.226 -5.777) 20.144 12.226 ( -8.377 3.959 -11.395) 14.686 12.459 ( -3.878 -1.801 -5.531) 6.991 12.842 ( -8.749 -0.286 -7.845) 11.755 13.897 ( 5.616 -8.680 13.397) 16.922 14.261 ( -2.570 -9.866 17.372) 20.143 16.937 ( 10.323 13.309 -14.233) 22.052 17.612 ( -7.018 -2.392 -17.223) 18.751 18.443 ( 10.024 -2.696 6.742) 12.378 18.773 ( 0.758 -12.193 5.361) 13.342 19.274 ( -6.479 11.614 12.210) 18.054 19.699 ( -4.380 5.191 15.984) 17.367 23.468 ( 2.559 0.970 -0.720) 2.830 23.563 ( 0.906 -0.185 -0.233) 0.953 24.026 ( 0.169 -1.040 -5.660) 5.757 24.136 ( 0.040 0.443 -1.910) 1.961 24.808 ( 12.594 2.636 4.553) 13.649 25.144 ( 14.925 -5.363 1.943) 15.977 25.513 ( -9.482 9.901 1.563) 13.798 26.211 ( -13.962 -9.716 -2.129) 17.143 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 21.343 3.710 11.871) 24.702 2.880 ( -3.753 0.019 -0.400) 3.775 3.053 ( -10.597 -0.078 10.953) 15.240 3.353 ( -6.713 -6.681 9.496) 13.412 4.054 ( 6.140 8.217 -12.239) 15.969 4.314 ( -8.272 4.634 -4.012) 10.295 4.685 ( 9.797 -3.034 -2.395) 10.531 4.965 ( -13.977 -2.134 -2.877) 14.429 5.439 ( 4.971 15.473 5.925) 17.298 5.557 ( -4.950 14.337 7.089) 16.743 5.885 ( 5.017 2.218 -2.397) 5.987 6.043 ( -5.353 -0.176 0.767) 5.410 6.475 ( 7.073 8.631 -11.539) 16.052 6.564 ( -2.434 3.303 -5.349) 6.742 6.919 ( 7.399 -1.244 -0.270) 7.508 6.936 ( 11.056 7.841 1.533) 13.641 7.187 ( -0.632 -1.821 -0.893) 2.124 7.352 ( -9.104 12.660 -4.102) 16.124 7.892 ( 10.962 4.737 5.816) 13.283 8.155 ( 0.040 -2.566 4.894) 5.526 8.496 ( 12.088 -10.685 -1.489) 16.202 8.721 ( -5.390 -14.724 -4.356) 16.273 8.945 ( 0.934 -11.471 -3.171) 11.938 9.166 ( -3.542 2.644 0.976) 4.527 9.683 ( 4.961 -10.447 1.839) 11.711 10.139 ( -20.339 -5.016 9.229) 22.892 11.121 ( 15.269 6.980 -9.196) 19.143 11.530 ( -12.656 5.266 -7.926) 15.834 11.706 ( 8.430 -2.499 0.992) 8.849 11.962 ( -14.130 -3.934 -4.061) 15.220 12.505 ( 5.716 0.701 -8.089) 9.930 12.664 ( -8.173 -0.638 -7.773) 11.297 13.981 ( 2.319 -10.565 12.113) 16.240 14.230 ( -0.725 -6.809 20.700) 21.803 17.140 ( 8.177 6.431 -19.436) 22.045 17.458 ( -6.862 7.261 -15.571) 18.501 18.613 ( 5.005 -2.776 5.958) 8.262 18.784 ( 0.223 -9.527 7.365) 12.044 19.192 ( -1.245 5.209 10.615) 11.889 19.593 ( -4.330 4.430 19.477) 20.438 23.507 ( 1.138 0.709 -1.638) 2.117 23.570 ( -0.060 0.901 0.622) 1.097 24.029 ( 0.106 -1.651 -5.615) 5.854 24.135 ( -0.070 0.294 -1.299) 1.334 25.051 ( 10.750 4.141 2.958) 11.893 25.296 ( -8.918 6.283 3.475) 11.449 25.510 ( 17.315 -5.008 0.028) 18.025 25.887 ( -17.199 -7.701 -0.717) 18.858 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 0.000 42.558 -12.191) 44.270 2.836 ( 0.000 41.385 4.054) 41.583 3.418 ( 0.000 -34.518 -13.308) 36.995 3.649 ( 0.000 -36.213 0.562) 36.217 4.327 ( 0.000 26.938 16.565) 31.624 4.526 ( 0.000 0.123 -16.968) 16.968 4.682 ( 0.000 27.994 0.673) 28.002 4.975 ( 0.000 -1.812 0.326) 1.841 5.198 ( 0.000 -0.373 -5.554) 5.566 5.644 ( 0.000 1.568 -5.917) 6.121 5.777 ( 0.000 -3.310 14.776) 15.142 6.098 ( 0.000 4.870 14.946) 15.720 6.111 ( 0.000 -5.952 -5.312) 7.977 6.448 ( 0.000 -18.178 -2.203) 18.311 6.625 ( 0.000 -0.841 -0.663) 1.071 6.635 ( 0.000 -0.546 -4.767) 4.798 7.015 ( 0.000 3.506 -2.129) 4.102 7.168 ( 0.000 -13.993 -0.675) 14.009 7.306 ( 0.000 1.395 3.427) 3.701 7.367 ( 0.000 -4.449 4.604) 6.403 8.191 ( 0.000 7.069 5.019) 8.670 8.391 ( 0.000 -11.419 3.642) 11.986 9.566 ( 0.000 10.169 -1.496) 10.278 9.752 ( 0.000 -3.512 -0.978) 3.646 10.211 ( 0.000 7.749 6.354) 10.021 10.261 ( 0.000 4.181 -6.376) 7.624 10.651 ( 0.000 4.689 8.687) 9.871 10.990 ( 0.000 -23.847 -0.074) 23.847 12.461 ( 0.000 7.425 -14.968) 16.708 12.577 ( 0.000 -3.874 -13.023) 13.587 12.868 ( 0.000 1.277 1.679) 2.109 12.871 ( 0.000 0.868 -0.485) 0.994 13.986 ( 0.000 14.866 -2.691) 15.108 14.296 ( 0.000 -15.622 -0.584) 15.633 16.985 ( 0.000 22.601 -0.149) 22.601 17.423 ( 0.000 -20.138 1.179) 20.172 18.361 ( 0.000 3.711 2.895) 4.706 18.473 ( 0.000 -7.270 1.967) 7.532 19.671 ( 0.000 1.461 6.495) 6.657 19.677 ( 0.000 0.936 8.370) 8.422 23.369 ( 0.000 0.894 0.033) 0.895 23.388 ( 0.000 -0.994 -0.057) 0.996 24.089 ( 0.000 1.851 -4.756) 5.103 24.100 ( 0.000 0.312 -2.991) 3.007 24.401 ( 0.000 8.400 7.244) 11.092 24.593 ( 0.000 -9.816 5.234) 11.125 26.168 ( 0.000 11.170 -3.589) 11.732 26.391 ( 0.000 -10.572 -3.622) 11.176 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -10.854 40.226 -8.246) 42.473 2.969 ( 5.749 37.674 9.961) 39.390 3.208 ( -14.770 -34.771 -11.116) 39.380 3.709 ( -0.708 -32.367 8.114) 33.376 4.365 ( -6.032 5.198 -16.115) 17.975 4.410 ( 4.721 8.534 -8.579) 12.989 4.883 ( 17.274 28.804 7.060) 34.321 5.027 ( 2.086 2.069 -0.333) 2.957 5.265 ( 6.451 4.999 -2.040) 8.412 5.686 ( -2.581 23.115 -1.837) 23.331 5.786 ( 4.373 -8.780 6.710) 11.884 6.083 ( 1.705 -10.989 -1.594) 11.234 6.165 ( 4.480 -1.134 9.259) 10.348 6.488 ( 1.931 -10.847 1.732) 11.153 6.568 ( 0.080 2.931 0.731) 3.021 6.708 ( 4.448 -10.461 -3.710) 11.958 7.001 ( -3.373 -6.921 -3.841) 8.604 7.126 ( -3.844 -7.135 -0.213) 8.107 7.362 ( 6.075 -2.037 2.363) 6.829 7.419 ( 5.060 -1.944 3.757) 6.595 8.179 ( -0.687 8.419 4.761) 9.696 8.416 ( 2.280 -10.788 3.768) 11.652 9.403 ( -13.185 13.319 -3.030) 18.985 9.715 ( -5.311 -12.849 -4.071) 14.487 10.145 ( -5.506 12.588 6.728) 15.299 10.322 ( 4.266 -0.229 -0.509) 4.302 10.669 ( 2.780 4.942 5.225) 7.710 11.033 ( 3.731 -19.194 0.854) 19.572 12.447 ( -1.268 8.327 -14.017) 16.353 12.599 ( 0.224 -5.297 -14.050) 15.017 12.739 ( -7.875 4.392 0.050) 9.017 12.939 ( 1.459 -2.844 -1.042) 3.362 13.915 ( -5.730 12.737 1.122) 14.011 14.218 ( -6.305 -14.189 3.083) 15.830 17.014 ( 2.859 21.231 -3.139) 21.651 17.434 ( 1.165 -19.162 -2.347) 19.340 18.327 ( -1.725 5.398 3.021) 6.422 18.488 ( 0.811 -8.858 2.946) 9.370 19.643 ( -0.529 2.184 6.208) 6.602 19.774 ( 4.966 1.794 11.268) 12.444 23.387 ( 1.875 1.418 -0.018) 2.351 23.419 ( 2.688 -1.671 -0.279) 3.178 24.062 ( -1.502 0.944 -4.593) 4.924 24.124 ( 1.121 0.515 -2.946) 3.194 24.461 ( 5.784 7.346 6.486) 11.379 24.635 ( 4.291 -8.448 5.031) 10.728 26.104 ( -5.835 11.631 -3.180) 13.395 26.346 ( -4.422 -11.254 -3.289) 12.531 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -3.279 29.386 1.367) 29.600 2.896 ( -13.465 -27.502 -1.811) 30.675 3.050 ( 3.143 26.042 11.003) 28.445 3.633 ( -4.937 -23.686 11.244) 26.680 4.214 ( -6.010 5.294 -23.970) 25.273 4.538 ( 0.996 -4.120 -11.705) 12.449 4.987 ( -1.310 5.186 -4.187) 6.793 5.213 ( 4.449 2.573 -1.881) 5.473 5.530 ( 3.158 22.708 7.043) 23.984 5.646 ( 19.056 28.678 11.586) 36.329 5.811 ( -1.622 -0.133 -6.561) 6.759 6.151 ( -1.681 -1.418 3.462) 4.102 6.288 ( 9.439 6.492 -2.989) 11.839 6.498 ( 0.640 4.360 6.682) 8.004 6.720 ( 15.252 -20.052 2.347) 25.303 6.851 ( 5.860 -15.346 -4.677) 17.079 6.940 ( 0.724 -6.769 -0.647) 6.838 7.004 ( -4.378 -6.662 -3.007) 8.520 7.509 ( 6.899 0.065 1.017) 6.973 7.581 ( 10.814 -7.745 3.269) 13.697 8.174 ( 0.032 12.172 4.235) 12.888 8.472 ( 2.710 -11.025 2.460) 11.617 9.109 ( -13.988 12.039 -4.783) 19.065 9.543 ( -10.132 -17.609 -4.561) 20.822 9.976 ( -10.376 15.717 5.661) 19.665 10.400 ( 0.834 -13.353 5.277) 14.382 10.776 ( 7.952 13.044 1.470) 15.348 11.138 ( 6.673 -14.016 1.335) 15.581 12.363 ( -9.618 7.515 -12.570) 17.521 12.509 ( -8.639 -5.604 -10.850) 14.958 12.587 ( -5.613 9.687 -4.278) 11.985 12.896 ( -5.942 -7.597 -5.002) 10.865 13.817 ( -2.527 5.586 7.102) 9.383 14.113 ( -2.629 -9.121 11.056) 14.572 17.092 ( 4.256 16.396 -10.387) 19.871 17.474 ( 2.772 -13.925 -9.735) 17.215 18.333 ( 2.802 6.043 5.678) 8.752 18.507 ( 1.434 -10.470 4.217) 11.378 19.598 ( -4.762 4.116 8.017) 10.193 19.829 ( -0.236 2.196 15.652) 15.807 23.439 ( 2.910 1.789 -0.502) 3.452 23.486 ( 3.524 -2.055 -0.404) 4.100 24.033 ( -1.257 0.347 -5.252) 5.411 24.139 ( 0.318 0.171 -1.719) 1.756 24.635 ( 10.875 5.211 4.877) 13.008 24.776 ( 9.573 -6.136 4.274) 12.147 25.946 ( -9.210 12.144 -2.071) 15.381 26.209 ( -8.879 -12.141 -2.493) 15.247 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 8.492 16.771 10.335) 21.452 2.727 ( -1.855 -20.450 4.813) 21.091 3.128 ( 3.633 15.843 9.388) 18.770 3.480 ( -11.374 -14.182 9.317) 20.428 4.160 ( 1.509 5.848 -22.306) 23.110 4.441 ( -7.834 -5.856 -11.947) 15.440 4.874 ( -9.583 13.920 2.855) 17.139 5.145 ( -9.970 -3.772 -0.564) 10.675 5.584 ( 6.113 10.867 3.500) 12.950 5.736 ( 0.042 1.212 -2.734) 2.991 5.974 ( -2.171 2.215 6.483) 7.187 6.093 ( -3.040 -1.255 1.628) 3.670 6.502 ( 15.839 21.892 -1.337) 27.054 6.677 ( 2.869 7.497 -4.960) 9.436 6.803 ( 0.349 -2.324 -3.333) 4.078 6.920 ( 12.567 9.990 -0.318) 16.057 7.005 ( 3.752 -12.516 -2.012) 13.220 7.308 ( 22.430 -21.125 -1.855) 30.868 7.682 ( 10.722 2.309 1.116) 11.025 7.854 ( 16.491 -9.010 6.526) 19.893 8.157 ( -1.712 11.800 2.265) 12.137 8.500 ( -0.893 -15.670 -0.399) 15.700 8.871 ( -8.614 4.423 -7.415) 12.196 9.354 ( -7.761 -10.183 3.577) 13.293 9.740 ( -11.602 13.504 0.072) 17.804 10.292 ( -11.068 -16.548 8.684) 21.720 10.998 ( 13.066 14.041 -1.225) 19.219 11.304 ( 9.159 -10.617 0.642) 14.037 12.051 ( -18.091 4.571 -9.569) 20.970 12.264 ( -15.275 -1.664 -5.855) 16.443 12.519 ( -1.210 8.729 -7.473) 11.555 12.739 ( -7.859 -8.823 -7.330) 13.904 13.814 ( 1.345 -0.728 8.564) 8.700 14.109 ( 1.406 -4.353 17.240) 17.837 17.170 ( 3.048 7.893 -19.526) 21.280 17.537 ( 2.850 -3.733 -14.433) 15.178 18.441 ( 7.252 2.623 7.950) 11.075 18.560 ( 3.752 -8.284 6.204) 11.009 19.446 ( -9.317 4.631 10.811) 15.005 19.763 ( -5.561 1.349 19.758) 20.570 23.493 ( 2.118 1.227 -1.410) 2.825 23.549 ( 2.386 -0.938 0.171) 2.570 24.013 ( -0.706 -0.270 -5.816) 5.864 24.140 ( -0.108 0.050 -0.801) 0.810 24.888 ( 13.338 4.762 3.479) 14.584 25.025 ( 14.307 -5.734 3.117) 15.725 25.736 ( -10.989 11.668 -0.646) 16.041 25.987 ( -12.500 -11.771 -1.486) 17.235 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 17.335 8.166 12.274) 22.756 2.781 ( 3.403 -8.599 7.309) 11.787 3.090 ( -11.498 2.656 8.302) 14.429 3.234 ( -5.963 -3.885 11.375) 13.418 4.218 ( 0.712 6.317 -17.645) 18.755 4.342 ( 0.756 -2.589 -13.895) 14.154 4.714 ( -2.457 6.877 3.027) 7.905 4.872 ( -13.586 -6.861 -0.031) 15.220 5.707 ( 5.674 9.545 3.558) 11.660 5.792 ( 1.118 5.966 2.647) 6.622 5.896 ( -0.388 0.762 5.252) 5.321 5.993 ( -5.893 -4.513 1.689) 7.613 6.594 ( -2.699 0.669 -11.128) 11.470 6.711 ( 1.478 11.459 -8.285) 14.217 6.870 ( 6.777 -1.027 -0.316) 6.861 6.988 ( -3.384 -5.794 -0.117) 6.711 7.337 ( 16.349 15.402 -3.180) 22.686 7.579 ( 1.137 4.183 -5.866) 7.294 7.972 ( 15.415 2.416 4.420) 16.217 8.128 ( 4.211 3.196 1.984) 5.646 8.206 ( 6.159 -12.406 3.732) 14.344 8.437 ( -2.229 -14.395 4.764) 15.326 8.767 ( -1.578 -3.803 -10.962) 11.710 9.185 ( -8.500 -1.627 5.906) 10.478 9.590 ( -1.416 1.532 -2.967) 3.627 10.018 ( -11.848 -5.572 11.359) 17.333 11.289 ( 14.567 8.831 -4.470) 17.612 11.479 ( 5.094 -6.982 -3.151) 9.200 11.697 ( -13.876 -0.743 -6.145) 15.195 11.961 ( -11.380 2.538 1.228) 11.724 12.526 ( 1.959 2.077 -8.442) 8.911 12.602 ( -5.296 -4.562 -8.255) 10.817 13.841 ( 0.888 -3.215 8.243) 8.892 14.138 ( 0.960 -2.169 20.073) 20.213 17.212 ( 1.006 1.227 -25.776) 25.825 17.578 ( 1.043 3.620 -15.782) 16.226 18.590 ( 5.578 0.134 7.983) 9.739 18.638 ( 2.642 -4.367 7.238) 8.857 19.268 ( -6.103 2.003 12.689) 14.222 19.649 ( -3.994 1.265 23.402) 23.774 23.522 ( 0.688 0.514 -2.045) 2.218 23.581 ( 0.740 0.238 0.766) 1.091 24.004 ( -0.196 -0.690 -6.073) 6.115 24.137 ( -0.091 0.033 -0.419) 0.430 25.159 ( 11.919 5.735 1.910) 13.364 25.325 ( 11.905 -4.782 3.384) 13.268 25.518 ( -7.407 7.665 -0.324) 10.664 25.706 ( -14.337 -9.631 -0.400) 17.276 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 0.000 32.278) 32.278 1.746 ( 0.000 0.000 43.446) 43.446 2.723 ( 0.000 0.000 59.818) 59.818 3.465 ( 0.000 0.000 -17.151) 17.151 3.900 ( 0.000 0.000 -2.305) 2.305 4.343 ( 0.000 0.000 -0.063) 0.063 4.427 ( 0.000 0.000 3.047) 3.047 4.932 ( 0.000 0.000 -16.370) 16.370 5.087 ( 0.000 0.000 -32.722) 32.722 5.419 ( 0.000 0.000 -3.338) 3.338 5.772 ( 0.000 0.000 -2.064) 2.064 5.901 ( 0.000 0.000 4.183) 4.183 6.237 ( 0.000 0.000 -23.840) 23.840 6.522 ( 0.000 0.000 1.480) 1.480 6.969 ( 0.000 0.000 10.058) 10.058 7.205 ( 0.000 0.000 -2.706) 2.706 7.411 ( 0.000 0.000 -2.869) 2.869 7.444 ( 0.000 0.000 8.776) 8.776 7.798 ( 0.000 0.000 -4.442) 4.442 7.925 ( 0.000 0.000 4.623) 4.623 8.431 ( 0.000 0.000 0.850) 0.850 8.474 ( 0.000 0.000 -5.666) 5.666 8.628 ( 0.000 0.000 8.955) 8.955 9.541 ( 0.000 0.000 6.941) 6.941 10.142 ( 0.000 0.000 17.956) 17.956 10.609 ( 0.000 0.000 -0.625) 0.625 10.755 ( 0.000 0.000 0.911) 0.911 11.438 ( 0.000 0.000 -25.263) 25.263 12.099 ( 0.000 0.000 -13.543) 13.543 12.497 ( 0.000 0.000 -3.316) 3.316 12.594 ( 0.000 0.000 -14.442) 14.442 13.000 ( 0.000 0.000 -3.798) 3.798 13.673 ( 0.000 0.000 14.872) 14.872 15.453 ( 0.000 0.000 -22.356) 22.356 15.625 ( 0.000 0.000 29.769) 29.769 18.147 ( 0.000 0.000 -3.859) 3.859 18.646 ( 0.000 0.000 0.104) 0.104 18.897 ( 0.000 0.000 -3.054) 3.054 19.229 ( 0.000 0.000 10.175) 10.175 19.756 ( 0.000 0.000 14.200) 14.200 23.376 ( 0.000 0.000 0.233) 0.233 23.422 ( 0.000 0.000 -0.307) 0.307 23.506 ( 0.000 0.000 1.220) 1.220 23.998 ( 0.000 0.000 -4.778) 4.778 24.367 ( 0.000 0.000 8.157) 8.157 25.022 ( 0.000 0.000 0.805) 0.805 25.714 ( 0.000 0.000 2.369) 2.369 26.859 ( 0.000 0.000 -8.372) 8.372 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 34.587 0.000 26.136) 43.351 1.945 ( 17.952 0.000 35.799) 40.048 2.809 ( 13.566 0.000 57.694) 59.267 3.508 ( 3.447 0.000 -18.551) 18.868 4.055 ( 13.598 0.000 -4.452) 14.308 4.345 ( -5.967 0.000 4.550) 7.504 4.350 ( 0.631 0.000 3.057) 3.122 4.863 ( -5.396 0.000 -16.236) 17.109 5.009 ( -8.633 0.000 -28.365) 29.649 5.387 ( -2.756 0.000 -6.547) 7.103 5.560 ( -15.535 0.000 -1.484) 15.606 5.754 ( -12.175 0.000 4.019) 12.821 6.073 ( -5.434 0.000 -7.810) 9.515 6.720 ( 8.569 0.000 -10.406) 13.480 7.044 ( 1.973 0.000 8.708) 8.929 7.217 ( -1.200 0.000 2.634) 2.895 7.317 ( -8.213 0.000 -1.679) 8.383 7.464 ( 5.491 0.000 1.429) 5.674 7.796 ( -0.191 0.000 -3.280) 3.286 7.929 ( 0.640 0.000 5.542) 5.579 8.367 ( -4.835 0.000 1.581) 5.087 8.574 ( 12.474 0.000 -2.253) 12.676 8.827 ( 13.326 0.000 1.880) 13.458 9.541 ( -0.164 0.000 7.765) 7.767 9.940 ( -14.347 0.000 12.974) 19.343 10.520 ( -7.963 0.000 -3.441) 8.675 10.960 ( 14.658 0.000 2.030) 14.798 11.511 ( 6.359 0.000 -21.808) 22.716 11.775 ( -19.537 0.000 -11.094) 22.468 12.380 ( -11.576 0.000 -3.808) 12.187 12.666 ( 1.785 0.000 -8.677) 8.859 12.917 ( -7.778 0.000 -3.934) 8.716 14.001 ( 22.870 0.000 6.567) 23.794 15.487 ( -11.744 0.000 29.538) 31.786 15.605 ( 13.666 0.000 -24.137) 27.737 18.021 ( -12.046 0.000 -7.028) 13.946 18.672 ( 5.559 0.000 1.303) 5.710 18.974 ( -17.402 0.000 17.641) 24.779 19.072 ( 12.337 0.000 0.651) 12.355 19.754 ( -1.440 0.000 13.765) 13.840 23.379 ( 1.388 0.000 0.806) 1.605 23.519 ( 1.048 0.000 0.607) 1.211 23.611 ( 13.077 0.000 -6.975) 14.821 23.995 ( -0.154 0.000 -4.951) 4.953 24.436 ( 6.645 0.000 8.016) 10.412 25.045 ( 2.380 0.000 1.229) 2.678 25.646 ( -5.642 0.000 4.973) 7.521 26.799 ( -5.655 0.000 -7.578) 9.455 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 10.503 0.000 34.143) 35.723 2.395 ( 23.568 0.000 20.041) 30.937 3.328 ( 23.623 0.000 36.332) 43.336 3.546 ( -2.119 0.000 -19.272) 19.388 4.256 ( 10.773 0.000 0.156) 10.774 4.349 ( -2.195 0.000 6.067) 6.452 4.353 ( 2.172 0.000 -6.681) 7.026 4.750 ( -11.652 0.000 -4.955) 12.661 4.899 ( 15.565 0.000 -11.003) 19.061 5.295 ( -9.953 0.000 -6.219) 11.737 5.341 ( -1.031 0.000 -5.998) 6.086 5.523 ( -8.021 0.000 -2.330) 8.352 6.042 ( 0.642 0.000 -6.062) 6.096 6.774 ( -3.483 0.000 -9.208) 9.845 6.899 ( -12.772 0.000 7.884) 15.010 7.124 ( -9.010 0.000 -0.984) 9.063 7.211 ( -0.470 0.000 0.171) 0.500 7.636 ( 7.222 0.000 1.746) 7.430 7.808 ( 2.034 0.000 -0.677) 2.144 7.955 ( 2.306 0.000 4.327) 4.903 8.326 ( 0.975 0.000 4.607) 4.709 8.866 ( 13.770 0.000 -7.351) 15.610 9.082 ( 9.467 0.000 0.044) 9.467 9.529 ( -1.018 0.000 9.137) 9.194 9.708 ( -5.210 0.000 7.546) 9.170 10.318 ( -10.712 0.000 -7.549) 13.105 11.185 ( 1.877 0.000 -9.968) 10.143 11.504 ( -2.837 0.000 -2.980) 4.114 11.660 ( 6.699 0.000 -13.596) 15.157 12.029 ( -21.308 0.000 -7.340) 22.537 12.651 ( -2.831 0.000 -7.397) 7.921 12.705 ( -12.091 0.000 -4.160) 12.786 14.404 ( 15.813 0.000 10.279) 18.860 15.229 ( -11.816 0.000 29.257) 31.553 15.936 ( 16.884 0.000 -22.186) 27.880 17.711 ( -16.969 0.000 -10.871) 20.153 18.731 ( -4.615 0.000 16.188) 16.833 18.834 ( 8.489 0.000 5.632) 10.187 19.308 ( 9.500 0.000 3.551) 10.142 19.690 ( -4.432 0.000 14.198) 14.874 23.420 ( 2.364 0.000 0.772) 2.487 23.536 ( 0.401 0.000 -0.186) 0.442 23.838 ( 8.158 0.000 -9.304) 12.374 23.995 ( 0.206 0.000 -5.347) 5.351 24.631 ( 11.837 0.000 7.156) 13.832 25.129 ( 6.219 0.000 2.147) 6.579 25.518 ( -6.452 0.000 7.294) 9.738 26.631 ( -10.601 0.000 -6.002) 12.182 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 5.605 0.000 22.010) 22.712 2.828 ( 16.716 0.000 5.483) 17.593 3.333 ( -17.747 0.000 -15.008) 23.242 3.481 ( -2.135 0.000 25.920) 26.008 4.201 ( -6.294 0.000 -12.982) 14.427 4.285 ( -0.431 0.000 8.746) 8.756 4.693 ( 3.684 0.000 14.308) 14.774 4.816 ( 25.356 0.000 8.040) 26.600 5.137 ( -5.012 0.000 -3.986) 6.404 5.191 ( 2.129 0.000 -3.949) 4.486 5.459 ( 1.722 0.000 -13.207) 13.319 5.518 ( 20.729 0.000 -11.342) 23.629 6.096 ( 7.813 0.000 -2.541) 8.215 6.611 ( -9.411 0.000 -2.911) 9.851 6.628 ( -12.474 0.000 4.530) 13.271 7.005 ( -2.036 0.000 -1.319) 2.426 7.168 ( -3.500 0.000 -2.604) 4.362 7.644 ( -6.890 0.000 5.921) 9.084 7.892 ( 5.783 0.000 2.481) 6.292 8.035 ( 4.251 0.000 2.587) 4.976 8.410 ( 7.432 0.000 1.962) 7.687 9.041 ( 1.688 0.000 -8.534) 8.699 9.158 ( -0.424 0.000 1.195) 1.268 9.485 ( -5.136 0.000 7.515) 9.102 9.810 ( 13.716 0.000 4.054) 14.303 10.154 ( -2.373 0.000 -10.645) 10.906 11.016 ( -12.874 0.000 -21.538) 25.093 11.429 ( -27.561 0.000 1.986) 27.632 11.639 ( 10.066 0.000 3.084) 10.528 11.884 ( 6.486 0.000 -19.416) 20.471 12.455 ( -11.213 0.000 -4.029) 11.915 12.557 ( -6.160 0.000 -9.254) 11.117 14.666 ( 10.051 0.000 18.167) 20.762 15.035 ( -7.021 0.000 28.620) 29.468 16.272 ( 16.075 0.000 -17.038) 23.425 17.349 ( -18.019 0.000 -12.554) 21.961 18.769 ( 6.910 0.000 9.000) 11.347 18.982 ( 5.474 0.000 8.280) 9.926 19.437 ( 3.005 0.000 5.615) 6.368 19.587 ( -5.268 0.000 14.476) 15.405 23.468 ( 2.111 0.000 0.572) 2.187 23.536 ( -0.310 0.000 -0.325) 0.449 23.952 ( 3.374 0.000 -7.908) 8.598 24.001 ( 0.276 0.000 -5.669) 5.676 24.881 ( 11.455 0.000 6.130) 12.993 25.323 ( 13.080 0.000 2.358) 13.291 25.386 ( -6.505 0.000 7.569) 9.980 26.368 ( -14.881 0.000 -3.990) 15.406 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 9.847 0.000 9.209) 13.482 2.836 ( -17.152 0.000 3.855) 17.580 3.184 ( 8.616 0.000 -10.369) 13.482 3.372 ( -8.079 0.000 6.371) 10.289 4.181 ( 4.335 0.000 4.565) 6.296 4.285 ( -2.888 0.000 15.124) 15.397 4.831 ( 9.746 0.000 14.360) 17.355 5.004 ( -4.062 0.000 8.649) 9.556 5.110 ( 2.447 0.000 -4.189) 4.851 5.194 ( -2.693 0.000 -1.013) 2.877 5.573 ( 8.020 0.000 -16.504) 18.349 5.698 ( -1.944 0.000 -19.102) 19.200 6.328 ( 2.322 0.000 3.019) 3.809 6.415 ( -7.813 0.000 1.683) 7.993 6.710 ( 25.975 0.000 1.092) 25.998 7.046 ( 6.373 0.000 -0.385) 6.385 7.066 ( -7.114 0.000 -2.846) 7.662 7.362 ( -19.997 0.000 4.879) 20.584 8.010 ( 4.904 0.000 7.497) 8.958 8.074 ( -0.877 0.000 6.624) 6.682 8.644 ( 14.974 0.000 -6.236) 16.221 8.942 ( -10.987 0.000 -10.043) 14.886 9.163 ( 2.253 0.000 3.165) 3.885 9.290 ( -10.451 0.000 6.082) 12.092 10.154 ( 16.580 0.000 4.823) 17.268 10.247 ( 7.264 0.000 -8.039) 10.835 10.760 ( -9.469 0.000 -22.013) 23.963 10.882 ( -22.084 0.000 -5.454) 22.748 11.838 ( 8.905 0.000 -1.293) 8.998 11.966 ( -1.426 0.000 -10.488) 10.585 12.313 ( -0.371 0.000 -6.906) 6.916 12.412 ( -7.348 0.000 -10.441) 12.767 14.826 ( 5.784 0.000 24.012) 24.699 14.924 ( -4.427 0.000 27.134) 27.493 16.612 ( 17.192 0.000 -14.127) 22.252 16.976 ( -18.156 0.000 -13.137) 22.410 18.942 ( 8.149 0.000 5.208) 9.671 19.040 ( -0.584 0.000 6.866) 6.891 19.456 ( 0.112 0.000 9.675) 9.676 19.491 ( -3.585 0.000 13.738) 14.198 23.504 ( 1.378 0.000 0.243) 1.400 23.525 ( -0.749 0.000 -0.098) 0.755 23.994 ( 1.049 0.000 -6.663) 6.745 24.004 ( -0.085 0.000 -6.011) 6.011 25.085 ( 8.616 0.000 6.386) 10.724 25.246 ( -7.206 0.000 7.095) 10.113 25.653 ( 18.090 0.000 0.745) 18.106 26.029 ( -17.881 0.000 -1.642) 17.956 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 25.045 24.305) 34.899 1.820 ( 0.000 4.098 39.420) 39.633 3.121 ( 0.000 38.753 52.512) 65.263 3.534 ( 0.000 4.770 -20.599) 21.144 3.922 ( 0.000 1.947 -3.606) 4.098 4.266 ( 0.000 0.636 -0.953) 1.146 4.709 ( 0.000 9.598 -13.135) 16.268 4.845 ( 0.000 2.117 3.610) 4.185 5.020 ( 0.000 -5.697 -30.714) 31.238 5.224 ( 0.000 -18.877 3.369) 19.175 5.799 ( 0.000 2.296 -1.868) 2.959 5.884 ( 0.000 1.628 -10.414) 10.540 6.285 ( 0.000 2.848 -7.349) 7.882 6.555 ( 0.000 1.675 -0.078) 1.677 6.897 ( 0.000 -6.558 7.140) 9.695 7.033 ( 0.000 -10.285 -5.935) 11.875 7.299 ( 0.000 -6.191 6.075) 8.674 7.483 ( 0.000 2.386 1.382) 2.758 7.860 ( 0.000 -8.121 0.481) 8.135 7.906 ( 0.000 -6.949 8.569) 11.032 8.104 ( 0.000 -8.581 4.607) 9.739 8.476 ( 0.000 1.032 -5.282) 5.382 8.991 ( 0.000 22.631 -0.913) 22.650 9.594 ( 0.000 1.930 6.220) 6.512 10.134 ( 0.000 0.975 16.113) 16.142 10.422 ( 0.000 -12.894 -3.549) 13.374 10.847 ( 0.000 3.870 4.424) 5.877 11.509 ( 0.000 4.438 -23.800) 24.210 12.009 ( 0.000 -8.262 -11.986) 14.558 12.453 ( 0.000 -3.067 -8.986) 9.495 12.654 ( 0.000 4.381 -9.423) 10.391 12.949 ( 0.000 -4.485 -0.166) 4.488 13.600 ( 0.000 -1.773 12.222) 12.350 15.058 ( 0.000 -21.872 -3.222) 22.108 16.052 ( 0.000 24.894 10.088) 26.860 18.108 ( 0.000 -5.395 -0.306) 5.403 18.486 ( 0.000 -9.114 5.511) 10.651 18.821 ( 0.000 -6.844 -2.018) 7.135 19.434 ( 0.000 13.365 1.673) 13.470 19.789 ( 0.000 2.713 12.882) 13.165 23.359 ( 0.000 -0.522 0.575) 0.776 23.417 ( 0.000 -0.465 -0.288) 0.547 23.653 ( 0.000 11.043 -3.371) 11.546 24.004 ( 0.000 0.569 -4.726) 4.760 24.390 ( 0.000 2.164 8.912) 9.171 24.983 ( 0.000 -3.691 2.581) 4.504 25.762 ( 0.000 4.589 0.554) 4.622 26.748 ( 0.000 -9.427 -6.010) 11.180 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 17.449 0.222 33.451) 37.729 2.110 ( 20.211 13.464 30.469) 38.963 3.224 ( 9.263 31.089 31.261) 45.051 3.613 ( 10.272 12.067 -8.869) 18.160 3.967 ( 1.140 -6.246 -4.472) 7.766 4.361 ( 9.570 7.636 -0.568) 12.257 4.629 ( -6.635 4.655 -7.769) 11.227 4.732 ( -6.990 2.089 2.443) 7.693 4.957 ( -6.641 -4.317 -22.897) 24.228 5.259 ( 3.224 -10.917 -5.656) 12.711 5.628 ( -13.332 2.591 -0.012) 13.581 5.785 ( -8.316 7.490 -5.642) 12.533 6.162 ( -6.742 5.808 -3.626) 9.610 6.672 ( 5.942 -6.003 -5.924) 10.317 6.900 ( -1.319 -9.895 2.762) 10.357 7.153 ( 7.326 -3.075 -0.330) 7.951 7.243 ( -2.762 -5.300 1.844) 6.255 7.493 ( -0.196 2.002 -0.259) 2.028 7.840 ( -0.760 -7.017 1.945) 7.321 7.919 ( 0.576 -0.657 6.172) 6.234 8.168 ( 4.909 -13.496 6.200) 15.642 8.459 ( 1.610 -1.812 -2.304) 3.345 9.120 ( 9.463 18.235 -3.498) 20.839 9.574 ( -1.337 1.485 7.400) 7.665 9.966 ( -11.364 3.826 11.554) 16.651 10.376 ( -6.569 -11.804 -4.600) 14.271 10.977 ( 10.433 0.039 4.099) 11.210 11.550 ( 2.340 -0.028 -17.676) 17.831 11.762 ( -12.949 1.164 -13.239) 18.555 12.390 ( -10.277 1.190 -5.947) 11.933 12.652 ( -0.726 -1.497 -7.444) 7.627 12.934 ( -4.077 0.820 -5.507) 6.901 13.851 ( 20.027 -9.639 9.641) 24.227 15.053 ( -1.313 -22.937 4.207) 23.357 16.051 ( 1.621 24.441 1.784) 24.559 17.978 ( -13.052 -5.519 -5.340) 15.144 18.456 ( 0.915 -9.996 9.799) 14.028 18.923 ( 6.426 -7.799 0.448) 10.115 19.353 ( -4.432 18.683 6.209) 20.180 19.811 ( 1.161 4.794 12.269) 13.224 23.370 ( 1.420 -0.470 0.703) 1.653 23.478 ( 3.731 -2.003 -0.492) 4.263 23.729 ( 6.516 8.124 -6.693) 12.379 24.002 ( -0.021 0.692 -4.964) 5.012 24.455 ( 6.423 1.948 8.747) 11.026 25.004 ( 2.210 -3.809 3.043) 5.353 25.700 ( -5.288 5.029 2.527) 7.723 26.702 ( -4.579 -8.566 -6.212) 11.530 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 22.380 -8.225 28.884) 37.454 2.444 ( 13.493 12.688 30.369) 35.571 3.342 ( -0.776 4.975 -10.171) 11.349 3.895 ( 0.354 -10.180 -7.692) 12.764 3.993 ( 7.018 18.417 14.735) 24.608 4.443 ( -9.312 -1.243 0.350) 9.402 4.484 ( 9.933 10.393 4.936) 15.200 4.810 ( -2.052 0.351 -14.958) 15.102 4.934 ( 21.765 12.401 -0.611) 25.057 5.330 ( -0.573 -1.440 -9.927) 10.047 5.353 ( -6.805 4.369 2.047) 8.342 5.623 ( -6.139 10.810 -2.470) 12.675 6.086 ( -0.913 3.645 -6.250) 7.292 6.649 ( -7.256 -11.257 -0.603) 13.406 6.862 ( -3.031 1.108 -1.922) 3.756 7.163 ( -3.746 -3.337 -1.473) 5.228 7.250 ( -2.033 4.673 -0.039) 5.096 7.471 ( -0.610 -10.497 -2.042) 10.711 7.827 ( -0.379 0.285 1.838) 1.899 7.989 ( 7.645 -4.576 5.500) 10.471 8.226 ( 1.378 -4.255 5.932) 7.429 8.636 ( 13.802 -14.235 -1.261) 19.867 9.252 ( 1.341 6.025 -1.415) 6.333 9.524 ( -5.509 2.862 8.601) 10.607 9.842 ( 2.760 10.802 3.860) 11.798 10.187 ( -9.932 -10.674 -7.986) 16.624 11.140 ( 1.274 -4.743 -4.580) 6.715 11.486 ( -2.130 -2.403 -2.621) 4.146 11.741 ( 5.951 6.938 -16.927) 19.237 12.058 ( -20.734 3.542 -6.085) 21.897 12.575 ( -7.010 -4.552 -7.339) 11.123 12.793 ( -8.209 4.774 -6.986) 11.789 14.238 ( 15.937 -13.157 12.512) 24.159 14.988 ( -4.438 -18.545 18.094) 26.287 16.168 ( 9.471 18.139 -10.812) 23.144 17.655 ( -16.559 -5.498 -11.307) 20.792 18.530 ( 5.679 -7.344 12.836) 15.841 19.021 ( 3.227 -3.616 1.891) 5.203 19.321 ( 0.555 12.081 11.034) 16.371 19.821 ( -0.248 9.505 12.214) 15.478 23.411 ( 2.303 -0.556 0.504) 2.422 23.533 ( 1.620 -0.490 -0.342) 1.727 23.859 ( 5.091 1.810 -8.345) 9.941 24.009 ( 0.705 1.253 -5.590) 5.772 24.645 ( 11.511 1.397 7.738) 13.940 25.087 ( 6.281 -3.759 3.600) 8.157 25.574 ( -6.579 5.138 4.810) 9.635 26.556 ( -9.630 -6.970 -5.621) 13.150 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 6.532 4.027 23.155) 24.393 2.805 ( 17.818 0.075 15.990) 23.941 3.231 ( -7.115 1.336 -14.520) 16.225 3.688 ( -17.217 0.447 4.078) 17.699 3.992 ( -0.385 -7.348 2.391) 7.737 4.337 ( 0.621 5.068 9.211) 10.532 4.669 ( -1.471 -4.818 -2.467) 5.609 5.025 ( 17.727 14.377 4.022) 23.176 5.103 ( -3.921 3.260 -1.182) 5.234 5.394 ( 7.637 8.179 -4.628) 12.110 5.465 ( 3.492 11.083 -4.048) 12.305 5.660 ( 15.346 10.486 -9.708) 20.969 6.133 ( 8.397 3.284 -1.790) 9.192 6.495 ( -5.599 -5.233 2.033) 7.929 6.729 ( -9.100 4.655 -0.746) 10.249 7.029 ( -5.458 -0.035 -0.514) 5.482 7.194 ( -2.887 2.226 -3.883) 5.327 7.431 ( -4.949 -13.195 -1.499) 14.172 7.875 ( 4.845 -0.520 6.922) 8.465 8.198 ( 11.687 -4.037 -2.526) 12.620 8.267 ( 2.683 0.945 6.887) 7.452 8.911 ( 10.805 -14.908 -2.390) 18.567 9.163 ( -8.664 1.667 -3.117) 9.357 9.386 ( -6.905 -4.423 9.557) 12.593 9.911 ( -1.477 -3.571 0.695) 3.926 10.147 ( 10.152 8.600 -8.799) 15.952 10.977 ( -13.681 -3.884 -11.778) 18.466 11.498 ( -15.661 2.952 -5.370) 16.817 11.633 ( -0.198 2.798 2.316) 3.637 11.902 ( 5.533 1.382 -16.784) 17.727 12.395 ( -8.892 -4.004 -6.721) 11.844 12.625 ( -8.232 4.059 -8.766) 12.692 14.497 ( 9.525 -13.911 18.995) 25.398 14.904 ( -3.221 -11.600 24.801) 27.568 16.403 ( 12.773 11.143 -14.589) 22.364 17.325 ( -15.550 -2.518 -15.216) 21.901 18.682 ( 8.669 -4.217 10.941) 14.582 19.067 ( 1.297 -3.176 3.472) 4.881 19.333 ( 0.354 4.278 14.103) 14.742 19.794 ( -2.543 11.940 12.064) 17.163 23.456 ( 1.895 -0.678 0.000) 2.012 23.551 ( 0.332 0.954 -0.048) 1.011 23.929 ( 2.003 -1.474 -7.247) 7.662 24.027 ( 0.872 1.811 -5.949) 6.279 24.890 ( 11.328 0.908 6.605) 13.145 25.280 ( 12.300 -3.344 3.067) 13.110 25.439 ( -6.070 4.382 5.740) 9.433 26.311 ( -14.102 -5.473 -3.903) 15.622 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 9.546 6.427 11.610) 16.347 2.862 ( -11.349 2.574 3.966) 12.295 3.217 ( 4.300 2.984 -3.449) 6.268 3.415 ( -7.056 3.395 2.181) 8.129 4.013 ( 2.843 -9.519 5.228) 11.226 4.360 ( -2.249 -0.150 13.445) 13.633 4.715 ( 8.988 -4.580 3.311) 10.617 4.974 ( -7.620 -2.864 -0.870) 8.186 5.278 ( 5.703 12.910 7.857) 16.153 5.382 ( -2.520 14.512 1.668) 14.823 5.588 ( 3.257 4.026 -13.534) 14.491 5.794 ( 0.802 7.256 -19.929) 21.224 6.283 ( -1.175 -1.886 1.758) 2.833 6.491 ( -3.392 4.204 2.326) 5.881 6.763 ( 21.815 5.724 1.129) 22.581 7.031 ( 3.547 -0.764 0.226) 3.635 7.111 ( -4.885 1.722 -3.395) 6.193 7.259 ( -11.508 -6.449 0.660) 13.208 7.978 ( 4.348 0.228 8.596) 9.635 8.234 ( -3.923 9.551 9.127) 13.781 8.512 ( 15.303 -9.443 -9.032) 20.123 8.929 ( -10.046 -8.303 -9.457) 16.103 9.080 ( 3.012 -2.980 1.082) 4.373 9.218 ( -7.773 -5.967 7.072) 12.085 9.985 ( 8.935 -11.580 0.877) 14.652 10.313 ( -1.508 1.434 0.593) 2.164 10.769 ( 1.049 4.663 -13.389) 14.216 11.067 ( -18.783 13.350 -13.472) 26.693 11.783 ( 7.993 -4.201 -1.313) 9.125 11.941 ( -3.253 -3.068 -8.028) 9.189 12.302 ( 1.213 -0.219 -9.791) 9.869 12.459 ( -7.182 2.981 -9.599) 12.354 14.632 ( 3.464 -15.161 23.185) 27.917 14.859 ( -1.206 -7.172 26.734) 27.706 16.678 ( 13.464 4.879 -15.824) 21.342 17.015 ( -14.265 3.344 -15.811) 21.556 18.843 ( 5.413 -4.392 9.525) 11.804 19.074 ( -0.392 -4.968 3.115) 5.877 19.341 ( 0.426 3.104 15.668) 15.978 19.732 ( -2.506 12.089 12.559) 17.611 23.484 ( 0.733 -0.878 -0.601) 1.292 23.553 ( -0.006 1.643 0.451) 1.704 23.953 ( 0.499 -2.271 -6.649) 7.044 24.040 ( 0.295 1.771 -5.805) 6.076 25.093 ( 8.354 0.996 6.292) 10.506 25.281 ( -6.886 3.362 6.350) 9.952 25.617 ( 17.243 -3.489 0.783) 17.610 25.988 ( -16.971 -4.007 -1.502) 17.503 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.000 17.950 25.550) 31.225 2.193 ( 0.000 34.591 12.494) 36.778 3.555 ( 0.000 -5.706 -20.892) 21.657 3.909 ( 0.000 -1.304 -13.062) 13.127 4.111 ( 0.000 47.789 43.231) 64.442 4.206 ( 0.000 -8.416 -11.814) 14.505 4.753 ( 0.000 -22.309 9.876) 24.397 4.790 ( 0.000 12.816 -7.446) 14.822 4.924 ( 0.000 -3.150 -25.698) 25.891 5.188 ( 0.000 17.291 4.699) 17.918 5.882 ( 0.000 6.731 3.290) 7.492 5.921 ( 0.000 1.192 -15.009) 15.056 6.403 ( 0.000 8.679 -0.356) 8.686 6.494 ( 0.000 -6.095 -6.655) 9.025 6.791 ( 0.000 -14.806 -9.086) 17.372 6.830 ( 0.000 -0.763 8.189) 8.224 7.208 ( 0.000 -10.027 14.655) 17.758 7.450 ( 0.000 -18.830 8.549) 20.680 7.461 ( 0.000 -6.151 4.656) 7.714 7.616 ( 0.000 -12.790 1.163) 12.843 8.180 ( 0.000 5.337 4.624) 7.062 8.510 ( 0.000 0.946 -3.917) 4.030 9.479 ( 0.000 24.148 -3.745) 24.436 9.559 ( 0.000 -3.198 7.801) 8.432 10.152 ( 0.000 -12.599 -6.607) 14.227 10.224 ( 0.000 6.821 10.982) 12.928 10.870 ( 0.000 -1.387 8.066) 8.184 11.396 ( 0.000 -18.029 -10.654) 20.942 11.950 ( 0.000 5.991 -17.634) 18.624 12.386 ( 0.000 -3.740 -13.355) 13.868 12.746 ( 0.000 4.300 -6.346) 7.665 12.881 ( 0.000 -1.612 0.419) 1.666 13.688 ( 0.000 9.324 2.921) 9.771 14.633 ( 0.000 -19.743 -3.265) 20.012 16.562 ( 0.000 24.941 8.886) 26.477 17.884 ( 0.000 -15.802 5.893) 16.865 18.388 ( 0.000 -1.110 3.158) 3.347 18.656 ( 0.000 -8.463 -0.396) 8.472 19.659 ( 0.000 8.530 1.408) 8.646 19.839 ( 0.000 1.715 10.461) 10.600 23.358 ( 0.000 0.314 0.299) 0.433 23.404 ( 0.000 -0.796 -0.229) 0.829 23.862 ( 0.000 8.415 -6.283) 10.502 24.017 ( 0.000 0.572 -4.732) 4.767 24.457 ( 0.000 4.604 10.537) 11.499 24.879 ( 0.000 -6.384 6.027) 8.780 25.893 ( 0.000 8.047 -2.802) 8.521 26.529 ( 0.000 -11.327 -5.119) 12.430 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 2.101 17.113 24.617) 30.054 2.535 ( 19.290 27.101 17.624) 37.645 3.488 ( -4.724 -6.458 -14.071) 16.187 3.777 ( -11.879 -4.657 -16.416) 20.791 4.241 ( 11.849 13.785 14.259) 23.103 4.334 ( 5.200 9.947 4.073) 11.940 4.619 ( 0.146 -1.399 6.398) 6.551 4.849 ( -1.638 1.818 -12.693) 12.927 5.032 ( 9.822 9.035 -6.689) 14.928 5.194 ( 2.755 13.427 0.554) 13.718 5.735 ( -10.012 9.076 1.225) 13.569 5.933 ( -2.864 4.128 -7.895) 9.358 6.278 ( -7.488 5.414 -3.189) 9.775 6.538 ( 0.334 -2.697 -1.619) 3.163 6.726 ( 4.477 -9.354 -4.153) 11.170 7.051 ( 7.458 -7.260 -4.957) 11.528 7.179 ( -2.755 -3.989 7.523) 8.950 7.449 ( 2.359 -17.376 8.571) 19.518 7.506 ( 0.281 -12.183 7.108) 14.108 7.667 ( 7.657 -13.391 4.061) 15.951 8.158 ( -1.533 4.922 5.064) 7.227 8.491 ( -1.499 3.210 -2.532) 4.354 9.336 ( -8.857 0.243 3.006) 9.356 9.700 ( 7.837 12.945 0.792) 15.153 10.018 ( -8.886 -4.827 -3.486) 10.697 10.213 ( -3.448 3.719 5.023) 7.138 10.927 ( 4.724 -4.999 7.360) 10.074 11.371 ( -1.405 -15.486 -6.813) 16.977 11.904 ( -1.934 10.380 -19.329) 22.025 12.403 ( -2.900 -1.652 -12.363) 12.805 12.631 ( -7.704 1.210 -4.230) 8.872 12.922 ( 0.087 -1.981 -5.704) 6.039 13.782 ( 9.221 3.598 6.716) 11.962 14.618 ( -1.149 -19.633 1.480) 19.723 16.545 ( -0.819 23.840 3.999) 24.187 17.769 ( -11.142 -14.342 -0.702) 18.175 18.359 ( 0.781 -0.534 7.034) 7.097 18.731 ( 4.907 -10.026 1.378) 11.248 19.652 ( -0.538 10.319 5.179) 11.559 19.912 ( 5.391 4.460 10.015) 12.217 23.370 ( 1.339 0.452 0.370) 1.461 23.443 ( 3.187 -1.519 -0.452) 3.559 23.880 ( 1.287 5.988 -6.785) 9.141 24.020 ( 0.484 0.971 -5.164) 5.276 24.517 ( 5.839 4.198 10.071) 12.375 24.902 ( 2.441 -6.035 6.090) 8.915 25.839 ( -4.872 8.293 -1.551) 9.742 26.493 ( -3.702 -11.256 -5.351) 13.002 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 17.422 5.176 25.094) 30.984 2.829 ( 9.038 23.120 22.486) 33.494 3.401 ( -5.140 -17.242 -6.244) 19.045 3.526 ( -8.230 0.359 -20.629) 22.213 4.180 ( -12.320 -9.177 2.349) 15.541 4.481 ( 4.045 -5.119 -3.557) 7.430 4.726 ( -1.533 15.253 -0.846) 15.353 4.960 ( 15.660 15.715 -2.032) 22.278 5.242 ( 13.514 12.409 -3.201) 18.625 5.382 ( 7.126 15.176 3.203) 17.069 5.537 ( 1.100 13.321 6.345) 14.795 5.897 ( 0.136 14.010 -3.234) 14.379 6.154 ( -3.081 2.672 -6.539) 7.707 6.491 ( -4.015 -1.541 0.723) 4.361 6.874 ( 4.111 -3.048 -4.691) 6.942 7.037 ( -5.560 -5.601 -3.051) 8.462 7.117 ( -2.777 -15.875 -3.545) 16.501 7.446 ( -2.436 4.624 1.783) 5.522 7.591 ( 8.333 -23.724 7.568) 26.259 7.873 ( 7.573 -5.548 4.247) 10.304 8.171 ( 5.662 -2.666 7.567) 9.819 8.481 ( 1.622 1.706 -1.293) 2.685 9.173 ( -6.877 -9.643 4.330) 12.611 9.739 ( -5.023 2.974 0.123) 5.838 9.806 ( -12.005 -2.355 -1.383) 12.312 10.235 ( 8.413 15.044 -1.548) 17.306 10.989 ( -0.942 -9.797 3.704) 10.516 11.377 ( 2.508 -8.671 -1.644) 9.175 11.891 ( -0.335 7.276 -19.384) 20.707 12.197 ( -15.015 9.124 -7.640) 19.159 12.474 ( -8.201 -4.873 -8.413) 12.719 12.840 ( -7.248 -1.022 -8.979) 11.584 14.017 ( 11.787 -6.077 13.169) 18.689 14.608 ( 0.643 -17.243 11.794) 20.901 16.561 ( 2.634 19.182 -5.877) 20.234 17.497 ( -13.460 -9.629 -11.202) 19.984 18.451 ( 7.461 -0.977 11.615) 13.839 18.819 ( 3.580 -11.517 3.807) 12.647 19.624 ( -2.566 12.777 10.389) 16.666 20.002 ( 2.533 7.506 11.766) 14.184 23.409 ( 2.228 0.456 -0.004) 2.275 23.512 ( 3.107 -1.446 -0.476) 3.459 23.898 ( 0.445 1.743 -6.805) 7.039 24.040 ( 1.221 1.537 -5.823) 6.145 24.691 ( 10.611 3.094 8.590) 13.999 24.993 ( 6.882 -5.179 5.544) 10.242 25.712 ( -7.077 8.197 0.755) 10.856 26.371 ( -8.239 -10.638 -4.964) 14.343 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 15.050 1.181 24.385) 28.680 2.945 ( 2.495 10.243 13.884) 17.433 3.310 ( 0.857 -2.915 -0.980) 3.192 3.479 ( -0.835 -2.845 -13.580) 13.900 3.916 ( -11.204 -6.256 3.828) 13.391 4.440 ( -5.916 -9.153 -1.995) 11.079 4.637 ( -4.198 14.604 2.438) 15.390 5.131 ( -2.847 0.225 -3.583) 4.582 5.348 ( 4.389 14.495 -3.553) 15.556 5.541 ( 12.393 8.215 -2.472) 15.072 5.831 ( 1.549 16.889 -0.455) 16.966 5.961 ( 7.976 20.232 -4.316) 22.172 6.185 ( 6.421 0.389 3.337) 7.247 6.488 ( 7.758 6.277 1.451) 10.084 6.781 ( -7.426 -3.888 -3.505) 9.086 6.897 ( -3.619 -4.722 0.817) 6.005 7.164 ( 2.147 -10.586 -5.398) 12.076 7.372 ( -4.847 9.615 -4.612) 11.713 7.821 ( 13.509 -17.838 0.895) 22.394 7.947 ( 4.494 3.434 4.549) 7.258 8.397 ( 11.948 -4.091 9.358) 15.718 8.565 ( 5.291 -10.804 -3.972) 12.669 9.021 ( -8.124 -14.076 -0.553) 16.261 9.504 ( -15.251 13.183 9.144) 22.136 9.661 ( -1.452 -14.566 -2.954) 14.934 10.442 ( 6.694 13.147 -3.542) 15.172 10.868 ( -7.342 -4.772 -0.399) 8.766 11.454 ( 2.657 -5.283 -3.138) 6.695 11.770 ( -12.018 5.201 -8.763) 15.757 11.968 ( -4.662 6.980 -12.517) 15.071 12.316 ( -5.337 -3.108 -8.942) 10.868 12.664 ( -9.247 -1.138 -9.856) 13.563 14.218 ( 7.362 -11.413 18.530) 22.974 14.644 ( 2.479 -12.039 20.681) 24.058 16.643 ( 4.849 10.693 -14.646) 18.772 17.255 ( -9.831 -3.736 -18.396) 21.190 18.635 ( 9.606 -0.710 12.865) 16.072 18.882 ( 2.628 -10.000 6.544) 12.237 19.549 ( -4.263 11.156 14.183) 18.542 20.003 ( -2.221 8.201 13.771) 16.181 23.452 ( 1.752 0.317 -0.770) 1.940 23.561 ( 1.587 -0.049 0.065) 1.589 23.904 ( 0.255 -0.897 -6.775) 6.839 24.061 ( 0.736 1.376 -5.557) 5.772 24.923 ( 11.289 2.465 7.055) 13.539 25.198 ( 13.000 -4.617 3.570) 14.250 25.557 ( -7.887 7.176 2.952) 11.064 26.157 ( -12.447 -9.251 -3.374) 15.871 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 12.026 7.317 15.911) 21.244 2.934 ( -3.402 3.917 6.185) 8.073 3.279 ( -7.135 2.159 7.676) 10.700 3.468 ( 0.422 1.216 1.396) 1.899 3.865 ( 6.221 -3.810 -2.975) 7.878 4.273 ( -8.709 -7.440 3.081) 11.861 4.679 ( 9.129 1.895 2.091) 9.555 4.947 ( -12.971 -1.157 0.492) 13.032 5.524 ( 10.196 11.450 -0.891) 15.358 5.679 ( 0.235 11.199 2.758) 11.536 5.743 ( -6.288 10.144 -7.120) 13.898 5.962 ( -1.251 7.886 -11.625) 14.103 6.291 ( 1.642 4.274 -2.905) 5.423 6.523 ( -4.194 -1.865 0.453) 4.612 6.928 ( 11.759 -1.646 1.300) 11.944 6.961 ( 9.752 8.592 0.222) 13.000 7.134 ( -3.105 -5.555 -3.754) 7.388 7.245 ( -7.823 9.878 -5.948) 13.934 8.045 ( 9.610 3.715 7.698) 12.861 8.193 ( 13.373 -8.271 -1.490) 15.794 8.503 ( -1.464 2.905 2.738) 4.252 8.594 ( -5.261 -17.789 -6.888) 19.789 8.947 ( 3.588 -12.623 2.719) 13.402 9.203 ( -11.979 4.688 4.011) 13.474 9.735 ( 7.324 -11.553 2.914) 13.986 10.294 ( -14.501 -2.805 5.577) 15.788 10.946 ( 11.523 11.472 -8.954) 18.562 11.315 ( -13.044 8.288 -14.450) 21.157 11.714 ( 5.439 -2.471 0.087) 5.975 11.854 ( -7.020 -3.206 -6.344) 9.990 12.304 ( 3.220 0.199 -11.876) 12.306 12.484 ( -7.341 -1.217 -9.985) 12.453 14.317 ( 2.385 -13.823 21.198) 25.419 14.688 ( 1.286 -7.999 25.614) 26.865 16.735 ( 3.299 0.084 -21.313) 21.567 17.101 ( -4.616 4.703 -20.015) 21.072 18.801 ( 5.257 -0.102 13.343) 14.341 18.921 ( 0.949 -7.031 8.225) 10.862 19.476 ( -2.164 6.945 15.341) 16.978 19.943 ( -2.441 8.238 15.345) 17.587 23.477 ( 0.622 0.129 -1.379) 1.518 23.580 ( 0.418 0.992 0.601) 1.233 23.909 ( 0.131 -1.982 -6.797) 7.081 24.070 ( 0.180 1.169 -5.171) 5.304 25.135 ( 8.735 3.287 5.594) 10.881 25.376 ( -6.298 5.666 4.647) 9.662 25.519 ( 14.287 -5.628 1.014) 15.389 25.871 ( -14.733 -7.184 -0.824) 16.412 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 0.000 30.150 3.744) 30.382 2.879 ( 0.000 25.286 -2.414) 25.401 3.236 ( 0.000 -17.518 -3.182) 17.805 3.612 ( 0.000 -25.607 -6.483) 26.415 4.156 ( 0.000 4.766 -17.554) 18.190 4.342 ( 0.000 -12.863 -5.519) 13.997 4.881 ( 0.000 8.509 0.715) 8.539 4.979 ( 0.000 0.421 -1.769) 1.818 5.211 ( 0.000 39.930 19.448) 44.415 5.516 ( 0.000 14.370 -6.397) 15.729 5.940 ( 0.000 0.247 -13.289) 13.291 5.981 ( 0.000 -1.586 3.129) 3.508 6.370 ( 0.000 -15.055 -4.417) 15.690 6.424 ( 0.000 -16.019 15.088) 22.006 6.577 ( 0.000 -3.123 3.884) 4.984 6.631 ( 0.000 2.806 1.050) 2.996 7.027 ( 0.000 1.341 3.990) 4.209 7.195 ( 0.000 -14.992 3.474) 15.389 7.379 ( 0.000 2.580 4.023) 4.779 7.458 ( 0.000 -4.903 4.362) 6.563 8.297 ( 0.000 7.018 5.482) 8.905 8.453 ( 0.000 -6.700 2.168) 7.042 9.578 ( 0.000 6.142 3.199) 6.926 9.749 ( 0.000 -5.753 0.985) 5.837 10.110 ( 0.000 15.084 -9.693) 17.930 10.323 ( 0.000 -0.360 3.856) 3.873 10.826 ( 0.000 -1.021 8.724) 8.783 10.977 ( 0.000 -17.829 -1.306) 17.877 12.128 ( 0.000 9.184 -18.609) 20.752 12.287 ( 0.000 -6.237 -16.391) 17.538 12.821 ( 0.000 2.894 -4.344) 5.220 12.860 ( 0.000 -1.107 -2.269) 2.525 13.935 ( 0.000 14.288 -2.003) 14.427 14.257 ( 0.000 -17.230 -3.561) 17.594 17.056 ( 0.000 23.441 8.315) 24.872 17.507 ( 0.000 -20.649 7.614) 22.008 18.408 ( 0.000 2.833 1.927) 3.427 18.502 ( 0.000 -6.302 0.904) 6.366 19.789 ( 0.000 4.503 4.718) 6.522 19.847 ( 0.000 -1.155 7.820) 7.905 23.369 ( 0.000 0.736 0.052) 0.738 23.386 ( 0.000 -0.899 -0.121) 0.908 23.982 ( 0.000 3.542 -6.099) 7.053 24.020 ( 0.000 -0.549 -5.165) 5.194 24.578 ( 0.000 7.091 10.815) 12.932 24.733 ( 0.000 -7.717 9.028) 11.876 26.080 ( 0.000 10.187 -5.141) 11.410 26.299 ( 0.000 -11.168 -5.698) 12.538 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -5.606 28.589 6.466) 29.842 2.996 ( -1.134 -13.211 -7.268) 15.120 3.208 ( 5.168 14.302 9.579) 17.972 3.683 ( 0.997 -12.528 -15.303) 19.802 4.115 ( -2.893 -5.356 -4.705) 7.693 4.261 ( -4.729 -8.153 -3.869) 10.188 4.799 ( 0.554 0.610 -8.765) 8.804 5.040 ( 0.474 6.780 -5.461) 8.719 5.427 ( 18.399 30.982 14.773) 38.944 5.582 ( 5.056 18.457 -1.053) 19.165 5.917 ( -2.445 3.154 -7.440) 8.442 5.973 ( -0.363 4.005 1.222) 4.203 6.342 ( -3.977 -10.247 4.651) 11.936 6.424 ( 4.974 -3.189 -6.080) 8.478 6.646 ( 1.242 0.979 -1.167) 1.966 6.724 ( 10.572 -21.504 14.705) 28.114 6.991 ( -3.617 -2.128 3.613) 5.538 7.160 ( -5.474 -9.183 4.046) 11.430 7.390 ( 4.276 -3.661 0.445) 5.646 7.502 ( 3.639 -2.786 4.449) 6.387 8.286 ( -0.566 7.516 5.799) 9.510 8.485 ( 2.376 -4.958 2.765) 6.154 9.374 ( -15.542 7.082 0.396) 17.084 9.638 ( -10.360 -13.434 -3.533) 17.329 10.203 ( 5.838 17.452 -3.183) 18.676 10.356 ( 1.597 4.602 5.426) 7.292 10.782 ( -0.605 -8.315 5.512) 9.994 11.047 ( 4.681 -12.023 0.452) 12.910 12.115 ( -1.468 9.489 -19.472) 21.711 12.306 ( 0.421 -6.799 -15.689) 17.103 12.709 ( -8.381 4.636 -3.031) 10.046 12.863 ( -2.378 -3.332 -5.967) 7.236 13.948 ( 1.519 11.045 2.169) 11.358 14.259 ( 0.907 -15.222 0.744) 15.268 17.010 ( -3.985 21.586 3.625) 22.248 17.429 ( -6.873 -18.560 2.069) 19.899 18.397 ( 1.120 3.655 4.316) 5.765 18.545 ( 2.714 -7.444 3.009) 8.476 19.785 ( 1.275 3.091 6.972) 7.732 19.976 ( 8.356 1.626 8.545) 12.062 23.386 ( 1.625 1.097 -0.017) 1.961 23.413 ( 2.463 -1.395 -0.207) 2.838 23.960 ( -1.676 1.893 -5.836) 6.361 24.037 ( 1.274 0.527 -5.698) 5.862 24.625 ( 4.649 6.195 10.222) 12.825 24.768 ( 3.543 -6.837 8.490) 11.462 26.028 ( -4.785 9.962 -4.393) 11.893 26.262 ( -3.676 -10.985 -5.232) 12.711 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 5.553 19.010 12.770) 23.564 2.899 ( -4.034 -24.762 2.913) 25.257 3.305 ( 1.289 19.721 11.926) 23.083 3.646 ( -1.183 3.854 -22.679) 23.035 3.951 ( -11.171 -10.894 9.640) 18.341 4.271 ( 0.877 -9.018 -11.646) 14.755 4.884 ( 5.720 1.416 -7.636) 9.645 5.116 ( 5.523 2.332 -6.996) 9.214 5.558 ( 1.385 9.745 -4.099) 10.662 5.762 ( -9.857 16.798 3.493) 19.787 5.946 ( 20.108 22.680 12.732) 32.876 6.068 ( 6.340 2.918 -8.484) 10.986 6.278 ( 1.688 7.593 0.552) 7.798 6.522 ( -0.167 -0.617 -3.517) 3.575 6.721 ( 9.690 -10.180 -2.831) 14.337 6.820 ( -6.402 -1.162 0.483) 6.525 7.003 ( -4.536 -9.911 6.242) 12.560 7.038 ( 10.708 -18.721 10.013) 23.778 7.521 ( 5.837 1.798 0.379) 6.120 7.641 ( 11.778 -11.235 2.481) 16.466 8.274 ( -1.358 10.339 5.410) 11.747 8.515 ( -0.017 -4.120 1.786) 4.490 9.049 ( -14.845 1.469 -0.754) 14.936 9.420 ( -8.282 -14.973 -6.888) 18.445 10.139 ( -10.598 16.488 9.627) 21.837 10.460 ( 5.579 0.650 0.906) 5.689 10.831 ( 4.595 -0.514 3.295) 5.678 11.156 ( 6.262 -10.984 0.131) 12.645 12.033 ( -7.540 5.874 -20.321) 22.456 12.261 ( -5.055 -3.746 -13.559) 14.948 12.510 ( -10.048 8.780 -4.532) 14.092 12.747 ( -8.341 -7.158 -9.068) 14.249 14.000 ( 3.315 2.509 10.480) 11.275 14.325 ( 5.710 -9.304 9.944) 14.767 16.910 ( -5.580 13.834 -7.038) 16.494 17.282 ( -6.018 -10.347 -9.126) 15.052 18.479 ( 6.542 3.584 9.347) 11.959 18.611 ( 4.102 -8.323 6.693) 11.441 19.796 ( -1.414 4.157 10.582) 11.457 20.109 ( 3.621 2.754 11.975) 12.810 23.427 ( 2.062 1.033 -0.673) 2.403 23.480 ( 3.769 -1.390 -0.114) 4.019 23.923 ( -1.760 0.662 -6.064) 6.349 24.063 ( 1.134 0.635 -5.672) 5.819 24.769 ( 9.204 4.319 8.629) 13.335 24.885 ( 8.081 -5.066 6.907) 11.776 25.899 ( -7.522 9.647 -2.557) 12.497 26.146 ( -7.615 -10.712 -3.864) 13.699 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 12.926 8.980 18.492) 24.284 2.887 ( 2.996 -13.609 11.695) 18.192 3.330 ( 2.911 9.228 8.304) 12.751 3.596 ( -9.106 1.129 -11.401) 14.635 3.802 ( 2.048 0.481 0.508) 2.165 4.198 ( -7.096 -10.856 -9.089) 15.837 4.917 ( -4.166 8.363 0.035) 9.343 5.127 ( -7.209 -0.353 -1.478) 7.368 5.620 ( 0.542 11.257 -2.140) 11.472 5.664 ( 7.416 3.800 -1.845) 8.535 6.040 ( -4.654 1.923 -4.547) 6.785 6.116 ( -4.089 -4.791 3.044) 6.996 6.407 ( 4.419 16.132 -7.733) 18.427 6.581 ( -0.308 4.805 -3.792) 6.129 6.728 ( 2.753 -2.766 -2.477) 4.623 6.949 ( 10.592 8.802 0.111) 13.772 6.999 ( 7.416 -3.461 3.700) 8.981 7.307 ( 12.526 -16.657 2.091) 20.946 7.683 ( 11.619 7.163 -2.377) 13.855 7.962 ( 17.420 -12.456 4.091) 21.802 8.212 ( -2.600 7.915 2.966) 8.843 8.493 ( -1.621 -11.016 0.227) 11.137 8.787 ( -9.753 -2.514 -0.146) 10.073 9.352 ( 0.349 -10.464 -1.878) 10.637 9.852 ( -16.320 14.576 10.260) 24.167 10.441 ( -7.899 -9.407 5.801) 13.584 10.979 ( 9.621 12.863 -1.381) 16.122 11.295 ( 6.472 -10.048 -2.135) 12.142 11.811 ( -12.595 0.562 -14.940) 19.548 12.098 ( -10.050 2.002 -10.480) 14.658 12.352 ( -4.522 8.396 -8.896) 13.041 12.561 ( -8.870 -8.548 -9.965) 15.845 14.071 ( 3.240 -3.223 16.458) 17.081 14.466 ( 6.935 -4.773 18.731) 20.536 16.792 ( -5.376 3.608 -18.259) 19.373 17.201 ( -2.190 -1.222 -18.485) 18.655 18.645 ( 9.036 1.803 12.950) 15.894 18.719 ( 6.083 -5.736 10.419) 13.359 19.711 ( -6.445 4.192 14.170) 16.121 20.117 ( -2.281 2.877 15.400) 15.831 23.464 ( 1.419 0.581 -1.451) 2.111 23.553 ( 2.918 -0.494 0.234) 2.969 23.893 ( -1.121 -0.244 -6.537) 6.637 24.080 ( 0.512 0.481 -5.098) 5.146 24.989 ( 11.704 3.663 6.630) 13.941 25.100 ( 12.612 -4.515 4.556) 14.150 25.726 ( -9.185 9.006 -0.243) 12.866 25.954 ( -10.943 -9.977 -1.836) 14.922 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 14.410 5.600 16.611) 22.693 2.977 ( 4.089 -0.744 12.548) 13.219 3.292 ( -12.852 -0.110 9.574) 16.026 3.467 ( 3.895 -0.763 10.737) 11.447 3.885 ( -0.559 4.902 -12.648) 13.576 4.095 ( 1.309 -8.594 -7.552) 11.515 4.777 ( -6.283 6.033 3.509) 9.391 4.900 ( -9.873 -3.572 2.242) 10.736 5.721 ( 6.833 7.458 -5.015) 11.290 5.792 ( 2.210 1.088 -4.344) 4.994 5.945 ( -2.721 6.532 -1.108) 7.163 6.013 ( -4.159 -1.519 1.532) 4.685 6.424 ( -0.312 -0.622 -5.680) 5.722 6.529 ( -2.602 11.086 -6.712) 13.218 6.813 ( 3.879 -8.764 -5.486) 11.043 6.999 ( -0.956 -2.683 0.955) 3.005 7.283 ( 12.699 15.556 -3.420) 20.370 7.450 ( -1.558 4.617 -5.321) 7.215 7.929 ( 10.267 -4.031 -9.979) 14.874 8.155 ( -4.791 -16.948 -9.378) 19.953 8.274 ( 10.258 5.592 12.951) 17.443 8.592 ( 5.744 1.396 8.348) 10.229 8.694 ( 6.807 -9.033 5.896) 12.755 9.252 ( -13.981 -1.346 2.283) 14.230 9.609 ( -2.878 -0.069 4.796) 5.594 10.221 ( -9.536 -3.255 8.954) 13.480 11.190 ( 10.119 11.221 -6.697) 16.527 11.359 ( -2.524 -2.536 -10.121) 10.735 11.599 ( -5.616 -6.710 -3.555) 9.445 11.926 ( -4.985 6.316 -3.841) 8.916 12.318 ( 0.931 1.868 -12.278) 12.454 12.405 ( -5.868 -5.739 -11.083) 13.791 14.120 ( 1.317 -5.024 19.177) 19.868 14.573 ( 2.906 -2.910 24.288) 24.634 16.711 ( -2.138 -1.268 -25.422) 25.543 17.176 ( -0.528 2.085 -23.349) 23.447 18.809 ( 5.316 -0.147 13.550) 14.556 18.828 ( 3.527 -1.630 13.579) 14.124 19.578 ( -4.790 2.660 16.147) 17.051 20.057 ( -2.331 2.874 17.526) 17.912 23.483 ( 0.466 0.309 -1.836) 1.919 23.593 ( 0.972 0.263 0.597) 1.170 23.878 ( -0.335 -0.841 -6.900) 6.959 24.086 ( 0.104 0.397 -4.688) 4.706 25.224 ( 10.060 4.957 4.598) 12.121 25.378 ( 13.223 -5.700 1.903) 14.524 25.532 ( -8.866 7.440 1.907) 11.730 25.708 ( -12.246 -8.396 0.818) 14.870 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 0.000 29.363) 29.363 2.533 ( 0.000 0.000 38.174) 38.174 3.134 ( 0.000 0.000 -14.721) 14.721 3.325 ( 0.000 0.000 -0.766) 0.766 4.200 ( 0.000 0.000 31.752) 31.752 4.206 ( 0.000 0.000 -18.313) 18.313 4.405 ( 0.000 0.000 3.584) 3.584 4.443 ( 0.000 0.000 -33.022) 33.022 4.974 ( 0.000 0.000 14.082) 14.082 5.321 ( 0.000 0.000 -2.999) 2.999 5.670 ( 0.000 0.000 -6.646) 6.646 5.877 ( 0.000 0.000 -11.510) 11.510 5.953 ( 0.000 0.000 0.371) 0.371 6.554 ( 0.000 0.000 2.057) 2.057 7.172 ( 0.000 0.000 -0.127) 0.127 7.175 ( 0.000 0.000 10.483) 10.483 7.296 ( 0.000 0.000 -8.928) 8.928 7.607 ( 0.000 0.000 6.910) 6.910 7.641 ( 0.000 0.000 -12.258) 12.258 7.964 ( 0.000 0.000 -0.543) 0.543 8.400 ( 0.000 0.000 -1.670) 1.670 8.515 ( 0.000 0.000 9.236) 9.236 8.726 ( 0.000 0.000 0.450) 0.450 9.663 ( 0.000 0.000 4.454) 4.454 10.505 ( 0.000 0.000 19.389) 19.389 10.570 ( 0.000 0.000 -3.429) 3.429 10.813 ( 0.000 0.000 5.513) 5.513 10.918 ( 0.000 0.000 -27.383) 27.383 11.847 ( 0.000 0.000 -12.593) 12.593 12.266 ( 0.000 0.000 -19.308) 19.308 12.484 ( 0.000 0.000 1.950) 1.950 12.914 ( 0.000 0.000 -5.114) 5.114 13.947 ( 0.000 0.000 13.595) 13.595 15.042 ( 0.000 0.000 -19.883) 19.883 16.229 ( 0.000 0.000 32.347) 32.347 18.022 ( 0.000 0.000 -9.693) 9.693 18.647 ( 0.000 0.000 0.214) 0.214 18.832 ( 0.000 0.000 -3.684) 3.684 19.454 ( 0.000 0.000 12.958) 12.958 19.971 ( 0.000 0.000 7.491) 7.491 23.381 ( 0.000 0.000 0.329) 0.329 23.415 ( 0.000 0.000 -0.436) 0.436 23.538 ( 0.000 0.000 2.215) 2.215 23.893 ( 0.000 0.000 -5.960) 5.960 24.544 ( 0.000 0.000 9.941) 9.941 25.026 ( 0.000 0.000 -0.657) 0.657 25.793 ( 0.000 0.000 6.152) 6.152 26.667 ( 0.000 0.000 -11.488) 11.488 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 32.659 0.000 24.288) 40.700 2.577 ( 3.784 0.000 26.972) 27.236 3.200 ( 5.895 0.000 -9.324) 11.031 3.494 ( 14.908 0.000 3.597) 15.335 4.140 ( -4.593 0.000 -1.647) 4.879 4.252 ( 4.936 0.000 8.155) 9.533 4.402 ( -2.678 0.000 -22.934) 23.090 4.485 ( 6.562 0.000 -1.240) 6.678 4.862 ( -8.341 0.000 13.696) 16.036 5.304 ( -0.031 0.000 2.350) 2.350 5.495 ( -14.518 0.000 -4.516) 15.204 5.806 ( -12.496 0.000 0.760) 12.519 5.876 ( -0.298 0.000 -10.050) 10.054 6.618 ( 4.268 0.000 -1.116) 4.411 7.155 ( -0.917 0.000 2.451) 2.616 7.217 ( -6.919 0.000 -8.330) 10.829 7.321 ( 5.838 0.000 8.124) 10.004 7.514 ( -3.427 0.000 3.432) 4.850 7.663 ( 1.841 0.000 -10.986) 11.139 8.011 ( 3.481 0.000 2.251) 4.146 8.392 ( 0.386 0.000 1.779) 1.821 8.577 ( 5.803 0.000 4.198) 7.162 8.844 ( 9.994 0.000 -1.884) 10.170 9.665 ( -0.287 0.000 3.232) 3.245 10.191 ( -19.823 0.000 13.532) 24.001 10.412 ( -11.257 0.000 -6.905) 13.206 11.035 ( 8.812 0.000 4.258) 9.787 11.078 ( 11.505 0.000 -21.875) 24.716 11.571 ( -14.055 0.000 -8.650) 16.503 12.366 ( -11.560 0.000 2.280) 11.783 12.421 ( 6.311 0.000 -15.790) 17.005 12.828 ( -8.103 0.000 -5.343) 9.706 14.167 ( 18.755 0.000 10.019) 21.264 15.182 ( 13.305 0.000 -19.799) 23.854 16.081 ( -12.451 0.000 31.528) 33.898 17.841 ( -15.491 0.000 -11.961) 19.572 18.712 ( 9.062 0.000 3.044) 9.560 19.060 ( 15.419 0.000 -2.148) 15.568 19.302 ( -12.122 0.000 16.845) 20.754 19.957 ( -1.855 0.000 6.702) 6.953 23.394 ( 1.602 0.000 0.789) 1.786 23.518 ( 8.177 0.000 -3.442) 8.872 23.541 ( 0.220 0.000 1.756) 1.770 23.888 ( -0.432 0.000 -6.083) 6.099 24.608 ( 6.139 0.000 9.632) 11.422 25.058 ( 3.171 0.000 -0.182) 3.176 25.757 ( -3.372 0.000 7.061) 7.825 26.621 ( -4.419 0.000 -10.829) 11.696 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 4.675 0.000 5.556) 7.261 2.814 ( 11.433 0.000 24.807) 27.315 3.308 ( 1.757 0.000 -3.965) 4.337 3.840 ( 12.036 0.000 -1.541) 12.135 4.052 ( -2.756 0.000 0.651) 2.832 4.354 ( 0.370 0.000 -9.657) 9.664 4.407 ( 12.084 0.000 -0.946) 12.121 4.682 ( 12.075 0.000 4.618) 12.928 4.873 ( 14.546 0.000 12.092) 18.915 5.182 ( -14.205 0.000 -3.615) 14.657 5.349 ( 3.782 0.000 11.421) 12.031 5.528 ( -12.875 0.000 -0.030) 12.875 5.869 ( 1.240 0.000 -10.806) 10.876 6.660 ( -1.076 0.000 -2.423) 2.651 7.028 ( -12.784 0.000 4.458) 13.539 7.054 ( -7.767 0.000 -6.032) 9.834 7.217 ( -7.084 0.000 0.566) 7.107 7.693 ( 12.364 0.000 5.126) 13.384 7.718 ( 4.129 0.000 -9.069) 9.965 8.063 ( 1.134 0.000 6.491) 6.589 8.438 ( 3.867 0.000 6.730) 7.762 8.739 ( 9.080 0.000 -5.143) 10.436 9.077 ( 11.014 0.000 -2.375) 11.268 9.625 ( -4.045 0.000 -2.980) 5.024 9.838 ( -12.173 0.000 7.369) 14.230 10.183 ( -10.516 0.000 -2.470) 10.802 10.935 ( -14.468 0.000 -15.028) 20.860 11.312 ( 10.245 0.000 -20.916) 23.290 11.550 ( 7.936 0.000 6.441) 10.220 12.019 ( -21.283 0.000 4.795) 21.817 12.454 ( -2.330 0.000 -12.449) 12.665 12.608 ( -12.374 0.000 -5.900) 13.709 14.592 ( 20.722 0.000 9.617) 22.845 15.545 ( 20.432 0.000 -18.338) 27.454 15.808 ( -12.602 0.000 30.280) 32.798 17.480 ( -18.385 0.000 -13.350) 22.721 18.943 ( 11.275 0.000 5.999) 12.772 19.075 ( -7.951 0.000 19.157) 20.742 19.349 ( 11.723 0.000 0.279) 11.726 19.891 ( -4.394 0.000 6.036) 7.465 23.438 ( 2.409 0.000 1.123) 2.658 23.543 ( -0.038 0.000 1.097) 1.097 23.688 ( 7.374 0.000 -6.518) 9.842 23.881 ( -0.146 0.000 -6.403) 6.405 24.785 ( 10.656 0.000 8.625) 13.709 25.161 ( 7.052 0.000 0.823) 7.100 25.666 ( -5.264 0.000 8.505) 10.003 26.487 ( -8.662 0.000 -9.044) 12.523 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 6.006 0.000 -8.795) 10.650 2.825 ( -5.350 0.000 20.033) 20.735 3.191 ( -11.710 0.000 -2.758) 12.031 3.701 ( -17.348 0.000 -8.014) 19.110 4.139 ( 9.300 0.000 10.160) 13.773 4.490 ( 11.283 0.000 10.897) 15.686 4.853 ( 22.826 0.000 -8.741) 24.442 4.939 ( -0.807 0.000 -3.153) 3.255 4.961 ( 6.072 0.000 5.503) 8.195 5.168 ( 4.321 0.000 4.835) 6.485 5.321 ( -6.494 0.000 -3.836) 7.543 5.457 ( 6.610 0.000 6.554) 9.308 6.081 ( 22.774 0.000 3.489) 23.040 6.571 ( -5.980 0.000 -1.052) 6.072 6.716 ( -15.380 0.000 4.024) 15.898 6.944 ( -2.070 0.000 -4.458) 4.915 7.089 ( -6.054 0.000 -5.567) 8.224 7.802 ( -5.221 0.000 11.063) 12.233 7.865 ( 10.748 0.000 -6.449) 12.535 8.120 ( 6.514 0.000 6.210) 9.000 8.523 ( 3.564 0.000 9.704) 10.338 8.872 ( 1.143 0.000 -8.702) 8.777 9.202 ( 0.852 0.000 2.487) 2.629 9.511 ( -6.245 0.000 -10.312) 12.055 9.815 ( 10.877 0.000 -2.944) 11.268 10.002 ( -5.898 0.000 1.159) 6.011 10.616 ( -15.430 0.000 -19.959) 25.228 11.327 ( -18.561 0.000 -18.797) 26.417 11.686 ( -0.373 0.000 4.679) 4.693 11.715 ( 6.965 0.000 4.988) 8.567 12.357 ( -6.439 0.000 -10.892) 12.653 12.359 ( -10.940 0.000 -5.980) 12.467 14.981 ( 16.587 0.000 14.627) 22.115 15.591 ( -8.539 0.000 28.531) 29.782 15.965 ( 19.855 0.000 -14.837) 24.786 17.106 ( -18.059 0.000 -13.050) 22.280 19.009 ( 1.293 0.000 15.502) 15.556 19.126 ( 5.934 0.000 7.323) 9.426 19.525 ( 5.646 0.000 2.695) 6.257 19.789 ( -5.176 0.000 5.949) 7.885 23.484 ( 1.967 0.000 1.253) 2.332 23.540 ( -0.263 0.000 0.902) 0.939 23.804 ( 3.982 0.000 -7.288) 8.305 23.880 ( 0.017 0.000 -6.707) 6.707 25.016 ( 11.099 0.000 7.710) 13.514 25.359 ( 12.369 0.000 1.028) 12.412 25.545 ( -6.440 0.000 9.130) 11.173 26.268 ( -12.482 0.000 -6.489) 14.068 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -0.153 0.000 10.062) 10.063 2.833 ( -5.335 0.000 -5.876) 7.936 3.051 ( 6.342 0.000 -1.758) 6.581 3.328 ( -17.350 0.000 -7.270) 18.811 4.370 ( 12.171 0.000 9.795) 15.623 4.583 ( -6.217 0.000 11.255) 12.858 4.940 ( 7.934 0.000 -1.568) 8.088 5.081 ( -3.805 0.000 -3.277) 5.022 5.173 ( 6.427 0.000 11.015) 12.753 5.200 ( 4.676 0.000 0.448) 4.698 5.307 ( 5.820 0.000 -8.288) 10.127 5.462 ( -6.265 0.000 1.324) 6.404 6.383 ( -0.571 0.000 1.966) 2.047 6.455 ( -8.831 0.000 1.985) 9.052 6.748 ( 20.951 0.000 1.106) 20.980 6.964 ( -6.338 0.000 -7.715) 9.985 7.030 ( 15.133 0.000 2.000) 15.265 7.509 ( -21.967 0.000 11.005) 24.569 8.138 ( 13.425 0.000 2.303) 13.621 8.249 ( 3.221 0.000 11.535) 11.976 8.573 ( 2.588 0.000 1.625) 3.056 8.736 ( -11.899 0.000 -11.406) 16.483 9.234 ( 4.282 0.000 3.540) 5.556 9.371 ( -7.707 0.000 -0.393) 7.717 10.012 ( 7.056 0.000 -11.207) 13.243 10.129 ( 9.317 0.000 -8.701) 12.748 10.370 ( -0.077 0.000 -17.024) 17.024 10.787 ( -27.777 0.000 -8.205) 28.963 11.799 ( 5.391 0.000 -4.426) 6.975 11.822 ( 2.984 0.000 0.199) 2.991 12.196 ( -4.017 0.000 -5.805) 7.059 12.222 ( -5.607 0.000 -8.852) 10.479 15.260 ( 10.679 0.000 20.755) 23.342 15.437 ( -7.262 0.000 25.528) 26.541 16.358 ( 18.621 0.000 -12.386) 22.364 16.735 ( -18.158 0.000 -12.198) 21.874 19.091 ( 5.381 0.000 10.379) 11.691 19.173 ( -1.415 0.000 7.748) 7.876 19.609 ( 3.402 0.000 5.134) 6.159 19.688 ( -4.484 0.000 6.078) 7.553 23.516 ( 1.130 0.000 1.166) 1.624 23.532 ( -0.526 0.000 1.000) 1.130 23.859 ( 1.580 0.000 -7.162) 7.334 23.878 ( -0.399 0.000 -6.932) 6.944 25.226 ( 9.281 0.000 8.070) 12.299 25.400 ( -7.748 0.000 8.851) 11.763 25.655 ( 15.846 0.000 -0.729) 15.862 25.981 ( -15.306 0.000 -3.550) 15.712 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.000 13.978 22.888) 26.819 2.498 ( 0.000 -2.710 29.854) 29.977 3.174 ( 0.000 3.226 -14.429) 14.785 3.540 ( 0.000 14.582 -5.233) 15.493 4.108 ( 0.000 -5.484 -15.744) 16.671 4.218 ( 0.000 3.984 3.596) 5.367 4.529 ( 0.000 10.696 3.094) 11.135 4.542 ( 0.000 7.874 1.515) 8.018 5.071 ( 0.000 9.673 13.008) 16.211 5.295 ( 0.000 -7.295 4.999) 8.843 5.624 ( 0.000 -8.991 -11.014) 14.218 5.694 ( 0.000 3.615 -6.754) 7.661 6.157 ( 0.000 9.034 -6.177) 10.944 6.563 ( 0.000 -1.462 1.362) 1.998 6.940 ( 0.000 -13.592 -3.901) 14.140 7.037 ( 0.000 -10.617 5.327) 11.879 7.392 ( 0.000 -2.877 3.771) 4.743 7.468 ( 0.000 7.793 -2.517) 8.189 7.865 ( 0.000 -9.331 -0.733) 9.360 7.958 ( 0.000 8.591 -2.993) 9.098 8.306 ( 0.000 -12.434 15.948) 20.223 8.401 ( 0.000 0.602 -2.120) 2.204 8.935 ( 0.000 15.957 -5.037) 16.734 9.713 ( 0.000 3.166 4.999) 5.917 10.373 ( 0.000 -14.183 -1.634) 14.276 10.421 ( 0.000 -5.115 10.758) 11.912 10.923 ( 0.000 5.814 3.787) 6.939 11.041 ( 0.000 8.765 -20.852) 22.619 11.780 ( 0.000 -6.271 -11.453) 13.057 12.218 ( 0.000 -3.907 -15.941) 16.412 12.537 ( 0.000 4.319 -1.656) 4.625 12.895 ( 0.000 -1.922 -4.535) 4.926 13.854 ( 0.000 -6.297 13.426) 14.829 14.856 ( 0.000 -15.488 -14.415) 21.159 16.436 ( 0.000 17.624 26.388) 31.732 18.042 ( 0.000 0.477 -7.096) 7.112 18.568 ( 0.000 -6.598 3.161) 7.316 18.771 ( 0.000 -5.477 -2.963) 6.228 19.526 ( 0.000 6.422 7.714) 10.037 19.981 ( 0.000 0.669 6.340) 6.375 23.370 ( 0.000 -0.586 0.564) 0.814 23.410 ( 0.000 -0.428 -0.419) 0.599 23.620 ( 0.000 6.795 -0.328) 6.803 23.901 ( 0.000 0.665 -5.863) 5.901 24.578 ( 0.000 3.281 10.439) 10.942 25.024 ( 0.000 -0.374 1.237) 1.293 25.804 ( 0.000 1.273 4.253) 4.439 26.589 ( 0.000 -7.190 -10.195) 12.476 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 23.137 2.517 25.861) 34.792 2.586 ( 8.292 1.906 18.077) 19.979 3.195 ( 1.830 2.089 -8.822) 9.248 3.660 ( 8.417 5.093 -6.252) 11.657 4.109 ( 2.617 -0.578 -10.066) 10.417 4.225 ( 0.216 3.018 -7.671) 8.246 4.522 ( 1.942 9.486 3.829) 10.412 4.620 ( 4.634 11.304 4.533) 13.031 4.939 ( -8.568 7.120 12.323) 16.612 5.281 ( 0.121 -2.111 8.558) 8.816 5.557 ( -6.419 0.412 -5.964) 8.772 5.660 ( -4.055 1.820 -5.079) 6.749 6.050 ( -7.879 8.007 -6.621) 13.039 6.611 ( 3.083 -2.130 -0.378) 3.767 6.914 ( -0.989 -14.474 -1.316) 14.568 7.131 ( 2.954 -11.062 -2.985) 11.832 7.306 ( -3.259 -0.805 4.639) 5.726 7.484 ( -1.433 4.879 -0.998) 5.182 7.838 ( -1.327 -0.877 -1.909) 2.484 8.001 ( 3.786 2.059 0.999) 4.424 8.317 ( 1.019 -7.768 8.967) 11.907 8.462 ( 5.793 -4.821 4.153) 8.605 9.017 ( 7.432 13.595 -7.792) 17.343 9.700 ( -1.679 2.087 3.820) 4.666 10.144 ( -15.448 -5.638 5.645) 17.386 10.323 ( -9.541 -5.093 0.844) 10.848 11.012 ( 5.218 0.176 -5.308) 7.445 11.187 ( 9.379 5.464 -13.449) 17.283 11.560 ( -11.092 -0.592 -7.413) 13.355 12.285 ( -2.697 -5.107 -7.269) 9.284 12.481 ( -3.584 3.087 -6.965) 8.420 12.827 ( -6.532 -0.275 -5.807) 8.744 14.053 ( 17.424 -8.702 11.046) 22.390 14.951 ( 8.854 -18.033 -11.543) 23.170 16.322 ( -9.128 19.152 22.840) 31.174 17.836 ( -17.462 -1.583 -9.779) 20.076 18.620 ( 6.869 -6.884 7.097) 12.039 18.936 ( 9.976 -8.509 0.442) 13.120 19.486 ( -2.188 12.749 8.281) 15.359 19.991 ( 0.563 2.820 5.673) 6.360 23.385 ( 1.528 -0.623 0.823) 1.844 23.467 ( 4.154 -1.927 -0.667) 4.627 23.645 ( 2.562 6.437 -2.324) 7.307 23.895 ( -0.392 0.699 -6.023) 6.076 24.638 ( 5.764 2.889 10.028) 11.922 25.052 ( 2.832 -0.696 1.589) 3.321 25.769 ( -3.241 1.400 5.142) 6.237 26.548 ( -4.065 -6.869 -9.757) 12.606 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 9.885 0.071 13.949) 17.097 2.830 ( 11.504 0.534 11.796) 16.486 3.220 ( -0.438 -0.166 3.831) 3.859 3.736 ( -0.490 -13.485 -9.303) 16.390 4.146 ( -2.775 2.359 -9.001) 9.710 4.357 ( 10.854 5.084 -7.293) 14.030 4.567 ( 1.527 9.843 2.966) 10.393 4.685 ( 9.336 5.654 5.401) 12.178 5.014 ( 13.647 10.295 9.982) 19.795 5.230 ( -7.558 5.570 1.371) 9.489 5.498 ( 4.151 10.907 14.591) 18.684 5.552 ( -4.178 7.212 -4.969) 9.703 5.926 ( -1.544 4.580 -8.872) 10.103 6.630 ( -2.349 -5.066 0.161) 5.587 6.858 ( -4.963 -5.381 -0.589) 7.344 7.090 ( -3.348 -6.042 -6.263) 9.324 7.256 ( -7.333 1.958 1.060) 7.663 7.433 ( -0.866 -8.966 -2.435) 9.331 7.861 ( 4.034 1.569 1.971) 4.756 8.092 ( 4.495 -2.682 5.123) 7.324 8.357 ( 3.092 -1.984 7.294) 8.167 8.629 ( 10.235 -9.920 1.013) 14.289 9.183 ( 5.730 7.208 -6.911) 11.513 9.626 ( -5.134 0.089 -3.855) 6.421 9.854 ( -10.662 -0.425 2.776) 11.026 10.139 ( -6.746 -0.490 4.318) 8.025 10.955 ( -10.768 1.339 -14.013) 17.723 11.336 ( 6.577 1.114 -19.282) 20.404 11.551 ( 6.507 0.488 3.980) 7.643 12.035 ( -18.233 1.681 3.102) 18.571 12.396 ( -6.173 -4.462 -10.960) 13.346 12.652 ( -9.575 2.765 -7.479) 12.460 14.461 ( 20.185 -10.980 10.892) 25.429 15.173 ( 10.911 -22.366 -0.359) 24.888 16.163 ( -4.265 20.968 11.429) 24.258 17.436 ( -19.893 -4.412 -11.861) 23.577 18.784 ( 7.784 -7.371 12.536) 16.495 19.087 ( 4.922 -6.930 4.805) 9.764 19.490 ( 2.269 14.481 7.217) 16.338 19.992 ( -0.609 8.037 4.899) 9.432 23.425 ( 2.118 -0.910 1.001) 2.513 23.533 ( 1.994 -0.944 0.387) 2.240 23.721 ( 4.191 2.738 -5.943) 7.770 23.892 ( 0.183 1.027 -6.443) 6.527 24.806 ( 10.185 1.998 8.823) 13.622 25.146 ( 6.584 -1.416 2.239) 7.097 25.681 ( -5.097 1.654 6.692) 8.573 26.422 ( -8.105 -6.039 -8.334) 13.100 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 1.348 4.406 -5.007) 6.804 2.938 ( 3.095 6.236 13.845) 15.497 3.146 ( -6.942 -0.964 4.335) 8.241 3.645 ( -9.661 -6.376 -6.810) 13.430 4.128 ( 2.464 -2.719 6.823) 7.748 4.486 ( 10.315 1.337 6.158) 12.087 4.703 ( 2.543 -10.111 2.432) 10.706 4.957 ( 8.265 4.868 -1.520) 9.711 5.065 ( 3.035 9.109 -3.180) 10.114 5.264 ( 6.060 3.660 -7.559) 10.357 5.497 ( -3.993 15.636 3.646) 16.544 5.609 ( 4.410 13.397 3.471) 14.525 6.168 ( 23.949 8.435 7.659) 26.521 6.528 ( -5.374 -3.930 1.654) 6.860 6.724 ( -7.844 1.797 -0.449) 8.059 6.996 ( -6.306 2.774 -2.456) 7.314 7.097 ( -3.774 0.415 -6.478) 7.509 7.418 ( -1.856 -19.485 0.154) 19.574 8.000 ( 9.160 0.483 5.788) 10.846 8.173 ( 3.768 -6.230 1.340) 7.403 8.437 ( 3.682 3.260 9.041) 10.292 8.850 ( 9.158 -10.324 -3.914) 14.345 9.111 ( -10.697 -2.677 -2.971) 11.420 9.501 ( -7.519 0.170 -1.035) 7.592 9.824 ( 6.078 -4.209 -5.396) 9.153 10.079 ( 2.609 11.024 2.524) 11.606 10.684 ( -14.280 5.304 -18.010) 23.588 11.311 ( -16.107 -1.136 -17.796) 24.030 11.666 ( 4.641 -1.317 1.142) 4.958 11.764 ( -1.138 3.745 5.486) 6.739 12.241 ( -7.701 -5.727 -8.982) 13.145 12.457 ( -9.225 3.673 -8.459) 13.044 14.834 ( 15.510 -12.610 15.899) 25.541 15.330 ( 3.808 -17.804 17.122) 24.992 16.192 ( 6.760 14.184 -5.627) 16.689 17.050 ( -17.501 -4.995 -13.633) 22.739 18.935 ( 7.233 -2.968 14.490) 16.465 19.160 ( 2.297 -3.772 6.562) 7.910 19.539 ( 2.005 7.760 7.269) 10.820 19.959 ( -2.641 11.767 4.426) 12.846 23.463 ( 1.466 -1.323 0.870) 2.158 23.559 ( 0.730 1.062 0.978) 1.618 23.791 ( 2.354 -0.950 -6.997) 7.443 23.903 ( 0.719 1.756 -6.818) 7.077 25.029 ( 10.777 1.230 7.721) 13.314 25.333 ( 11.638 -2.325 2.075) 12.048 25.565 ( -6.056 1.949 7.540) 9.865 26.217 ( -11.809 -4.889 -5.987) 14.114 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 1.299 5.304 3.530) 6.503 2.931 ( -7.453 7.716 2.812) 11.090 3.118 ( 9.509 6.585 -1.526) 11.667 3.378 ( -14.351 4.459 -5.314) 15.939 4.223 ( 4.623 -10.992 12.644) 17.380 4.620 ( -3.581 -1.060 6.928) 7.871 4.805 ( 13.667 -9.665 7.237) 18.236 4.969 ( -1.799 -2.671 1.022) 3.379 5.219 ( 1.655 5.348 -6.494) 8.574 5.378 ( 4.491 7.638 -14.508) 17.000 5.455 ( 3.083 12.458 3.375) 13.271 5.581 ( -6.378 11.849 5.776) 14.643 6.333 ( -4.016 -2.302 2.586) 5.303 6.527 ( -4.543 3.730 0.953) 5.955 6.785 ( 14.786 3.774 -0.440) 15.266 6.951 ( -0.017 0.509 -8.077) 8.093 7.097 ( 7.243 3.773 3.577) 8.916 7.326 ( -8.220 -13.423 7.576) 17.468 8.150 ( 3.177 0.024 5.874) 6.678 8.328 ( 11.689 -4.835 -3.519) 13.130 8.456 ( -1.270 2.592 7.670) 8.196 8.742 ( -14.043 -5.307 -6.923) 16.532 9.110 ( 7.097 -5.440 0.544) 8.959 9.344 ( -6.985 -3.953 5.118) 9.519 9.944 ( 6.113 -5.674 -2.692) 8.764 10.229 ( 2.147 6.440 -9.031) 11.298 10.477 ( 3.485 10.117 -17.002) 20.089 10.843 ( -23.796 5.644 -12.017) 27.249 11.768 ( 3.566 -1.978 0.290) 4.088 11.816 ( 2.406 -1.609 -2.971) 4.147 12.132 ( -2.059 -2.836 -7.776) 8.530 12.289 ( -6.075 2.934 -7.983) 10.452 15.069 ( 6.526 -15.565 21.730) 27.514 15.355 ( -0.278 -7.994 24.208) 25.495 16.391 ( 10.962 1.202 -14.098) 17.898 16.725 ( -13.539 -0.528 -14.405) 19.776 19.071 ( 5.131 -0.018 13.887) 14.805 19.175 ( -0.765 -2.160 7.621) 7.958 19.569 ( 0.877 3.467 7.575) 8.377 19.899 ( -2.291 12.769 4.255) 13.653 23.483 ( 0.477 -1.570 0.647) 1.764 23.568 ( 0.225 1.857 1.285) 2.269 23.820 ( 0.627 -2.286 -7.074) 7.460 23.915 ( 0.343 2.063 -6.921) 7.230 25.230 ( 8.449 0.541 7.774) 11.495 25.420 ( -6.605 1.892 7.973) 10.525 25.624 ( 14.462 -3.024 -0.305) 14.777 25.946 ( -14.182 -3.365 -3.058) 14.893 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.000 20.200 6.721) 21.289 2.483 ( 0.000 2.897 19.295) 19.511 3.234 ( 0.000 1.877 -10.518) 10.684 3.615 ( 0.000 -6.976 -15.962) 17.420 3.974 ( 0.000 -6.990 -11.335) 13.317 4.416 ( 0.000 11.731 -19.426) 22.693 4.746 ( 0.000 12.733 3.100) 13.105 4.837 ( 0.000 -4.919 13.580) 14.444 5.120 ( 0.000 18.612 34.399) 39.112 5.262 ( 0.000 6.625 1.474) 6.787 5.584 ( 0.000 1.358 -13.834) 13.901 5.862 ( 0.000 11.003 -3.438) 11.528 6.316 ( 0.000 5.640 -7.865) 9.678 6.427 ( 0.000 -7.302 -0.228) 7.305 6.685 ( 0.000 -9.910 -2.422) 10.202 6.953 ( 0.000 1.026 4.467) 4.583 7.398 ( 0.000 1.684 5.871) 6.108 7.527 ( 0.000 -4.643 1.697) 4.943 7.635 ( 0.000 -9.888 1.047) 9.943 7.708 ( 0.000 -26.162 14.394) 29.860 8.286 ( 0.000 4.990 7.611) 9.100 8.439 ( 0.000 2.884 -2.958) 4.131 9.349 ( 0.000 24.022 -9.749) 25.925 9.716 ( 0.000 -3.004 7.688) 8.254 10.074 ( 0.000 -14.416 -1.370) 14.481 10.376 ( 0.000 0.248 1.269) 1.293 10.987 ( 0.000 0.338 3.960) 3.974 11.121 ( 0.000 -4.594 -13.861) 14.603 11.678 ( 0.000 0.504 -10.165) 10.177 12.125 ( 0.000 -5.311 -13.632) 14.630 12.634 ( 0.000 4.798 -4.472) 6.559 12.845 ( 0.000 -2.678 -3.810) 4.657 13.799 ( 0.000 1.916 7.979) 8.206 14.507 ( 0.000 -17.512 -8.915) 19.650 16.850 ( 0.000 21.683 19.825) 29.380 17.964 ( 0.000 -9.289 1.088) 9.353 18.451 ( 0.000 -3.369 3.633) 4.955 18.637 ( 0.000 -7.039 -1.503) 7.197 19.682 ( 0.000 8.118 1.625) 8.279 19.983 ( 0.000 -0.808 3.900) 3.982 23.365 ( 0.000 0.044 0.375) 0.378 23.399 ( 0.000 -0.703 -0.346) 0.783 23.765 ( 0.000 6.601 -3.705) 7.569 23.915 ( 0.000 0.528 -5.694) 5.718 24.672 ( 0.000 5.683 11.478) 12.808 24.999 ( 0.000 -2.403 5.869) 6.342 25.857 ( 0.000 4.264 -0.383) 4.281 26.401 ( 0.000 -10.670 -8.220) 13.470 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 5.933 5.586 22.668) 24.088 2.706 ( 13.618 9.240 -1.389) 16.516 3.268 ( 2.754 2.815 -8.469) 9.340 3.563 ( -5.268 -9.324 -4.186) 11.498 3.995 ( 3.007 -7.187 -17.080) 18.773 4.434 ( 0.044 10.552 -15.676) 18.897 4.771 ( 1.313 -3.401 8.091) 8.874 4.809 ( -0.889 9.023 10.580) 13.934 5.073 ( -1.257 12.243 3.863) 12.900 5.377 ( 11.685 19.911 18.750) 29.741 5.620 ( 2.507 5.324 -5.758) 8.233 5.838 ( -3.456 11.102 -1.881) 11.778 6.176 ( -8.565 4.614 -5.463) 11.158 6.529 ( 1.756 -1.951 -0.229) 2.635 6.643 ( 3.098 -12.177 -3.495) 13.042 7.003 ( 0.359 -2.192 -0.987) 2.430 7.288 ( -7.720 -1.435 3.952) 8.790 7.501 ( -2.326 -4.975 0.596) 5.524 7.694 ( 4.767 -8.617 2.951) 10.280 7.805 ( 7.137 -21.950 12.925) 26.454 8.268 ( -0.673 4.208 7.436) 8.570 8.465 ( 1.712 3.447 0.534) 3.885 9.301 ( -3.744 10.526 -7.880) 13.672 9.725 ( -2.588 1.195 -0.036) 2.851 9.941 ( -6.839 -9.527 -0.237) 11.730 10.345 ( -3.981 5.568 4.778) 8.347 11.006 ( 0.738 -2.255 -0.518) 2.429 11.171 ( 4.218 -7.657 -12.317) 15.104 11.612 ( -2.852 6.637 -8.713) 11.319 12.171 ( 0.655 -6.249 -11.556) 13.154 12.542 ( -8.527 3.499 -4.131) 10.101 12.805 ( -4.167 -2.070 -6.315) 7.844 13.932 ( 12.379 -1.495 8.611) 15.153 14.571 ( 6.211 -18.069 -5.681) 19.933 16.743 ( -8.873 20.919 15.491) 27.501 17.734 ( -19.110 -8.816 -3.608) 21.353 18.510 ( 6.651 -3.111 8.173) 10.987 18.756 ( 7.849 -8.662 1.351) 11.767 19.727 ( 3.498 10.050 3.115) 11.088 20.047 ( 5.383 2.224 3.491) 6.791 23.378 ( 1.372 0.085 0.560) 1.485 23.436 ( 3.139 -1.335 -0.373) 3.431 23.771 ( 0.457 5.427 -4.408) 7.006 23.912 ( -0.125 0.757 -5.957) 6.007 24.720 ( 4.760 5.024 10.845) 12.865 25.021 ( 2.314 -2.565 5.803) 6.754 25.824 ( -3.063 4.302 0.525) 5.307 26.366 ( -3.424 -10.357 -7.914) 13.477 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 15.732 -1.572 24.256) 28.954 2.913 ( 5.472 7.172 -14.534) 17.106 3.306 ( -0.143 -1.705 -2.547) 3.069 3.440 ( -4.064 -6.815 9.714) 12.543 4.076 ( 1.721 -5.746 -11.681) 13.131 4.389 ( -2.245 -1.620 -5.095) 5.798 4.698 ( -1.760 3.326 -1.704) 4.131 4.954 ( 8.361 8.454 3.798) 12.482 5.178 ( 10.224 11.140 -3.830) 15.598 5.457 ( -8.139 17.251 3.605) 19.412 5.781 ( 5.313 8.919 -0.535) 10.396 5.847 ( 12.597 22.995 15.128) 30.271 6.030 ( 0.258 7.005 -3.599) 7.879 6.505 ( -2.078 -2.802 0.746) 3.567 6.786 ( 5.315 -5.987 -4.271) 9.074 6.929 ( -4.550 -7.224 -6.081) 10.481 7.132 ( -7.317 -8.208 2.644) 11.310 7.426 ( -5.678 2.233 -3.187) 6.883 7.762 ( 1.441 -13.695 8.044) 15.948 7.955 ( 6.342 -6.285 5.108) 10.286 8.316 ( 6.977 -6.243 7.826) 12.203 8.501 ( 2.090 2.409 3.573) 4.789 9.203 ( -7.865 -6.356 -2.820) 10.499 9.570 ( -5.716 -10.834 -12.451) 17.466 9.896 ( -3.194 13.071 6.787) 15.071 10.278 ( 0.413 11.638 4.910) 12.638 10.952 ( -6.257 -2.595 -7.958) 10.450 11.287 ( 5.875 -6.476 -11.384) 14.354 11.597 ( 0.128 3.916 -6.045) 7.204 12.074 ( -9.913 0.576 -5.020) 11.126 12.322 ( -11.132 -0.705 -6.573) 12.947 12.674 ( -8.249 -1.384 -8.307) 11.788 14.251 ( 16.819 -7.521 11.167) 21.544 14.753 ( 10.984 -18.131 2.857) 21.390 16.556 ( -8.141 17.161 5.339) 19.730 17.307 ( -20.537 -7.825 -8.965) 23.735 18.690 ( 10.119 -2.290 12.441) 16.200 18.906 ( 6.750 -8.849 5.380) 12.362 19.783 ( 1.184 12.256 6.192) 13.782 20.153 ( 3.821 6.914 3.639) 8.698 23.413 ( 1.792 -0.088 0.563) 1.881 23.508 ( 3.501 -1.435 -0.057) 3.784 23.777 ( 0.058 2.408 -5.488) 5.993 23.918 ( 0.839 1.407 -6.567) 6.768 24.863 ( 8.922 3.521 9.209) 13.297 25.103 ( 5.884 -2.894 5.359) 8.469 25.740 ( -4.953 4.307 2.456) 7.009 26.259 ( -6.936 -9.432 -6.732) 13.505 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 3.604 2.018 7.467) 8.533 3.022 ( 11.313 7.130 -5.385) 14.416 3.233 ( -5.160 3.702 12.022) 13.597 3.473 ( 4.278 -7.096 1.103) 8.358 4.028 ( -2.991 -5.330 6.452) 8.887 4.383 ( 0.365 -10.737 -3.717) 11.368 4.709 ( 1.465 7.917 2.747) 8.507 5.056 ( -2.545 2.893 -1.451) 4.117 5.290 ( 0.826 14.071 0.871) 14.122 5.400 ( 8.797 9.733 -12.536) 18.146 5.774 ( -5.421 9.933 -1.114) 11.371 5.952 ( 2.586 17.977 -0.736) 18.177 6.330 ( 6.590 2.111 9.154) 11.475 6.514 ( 8.311 4.675 1.967) 9.736 6.747 ( -0.774 -1.480 0.121) 1.674 6.919 ( -2.048 -5.076 1.289) 5.624 7.054 ( 2.188 -7.391 -5.216) 9.307 7.273 ( -7.387 8.268 -5.743) 12.487 7.821 ( 5.358 -18.370 0.837) 19.153 8.084 ( 8.534 4.180 8.334) 12.639 8.477 ( -0.101 -18.657 -4.918) 19.294 8.580 ( 9.716 1.927 8.248) 12.889 8.996 ( -7.760 -10.107 -0.823) 12.769 9.546 ( -2.657 -5.181 -4.525) 7.374 9.755 ( -5.926 8.537 11.346) 15.386 10.372 ( 6.017 14.419 -3.188) 15.946 10.767 ( -10.494 2.347 -10.929) 15.332 11.285 ( -9.271 -2.044 -15.785) 18.420 11.624 ( 4.055 -2.896 -2.990) 5.811 11.859 ( -7.730 5.024 0.250) 9.222 12.143 ( -5.844 -2.638 -8.181) 10.394 12.486 ( -9.579 -1.381 -8.632) 12.968 14.562 ( 12.500 -12.146 16.800) 24.208 14.988 ( 11.057 -14.473 13.848) 22.881 16.424 ( -4.858 7.859 -7.313) 11.783 16.938 ( -14.668 -4.973 -14.588) 21.277 18.907 ( 10.584 -0.309 14.515) 17.967 19.036 ( 5.864 -5.731 9.763) 12.749 19.764 ( -2.688 11.060 8.054) 13.943 20.180 ( -1.103 9.162 4.255) 10.162 23.445 ( 1.214 -0.354 0.250) 1.289 23.568 ( 2.222 -0.149 0.696) 2.333 23.776 ( -0.076 -0.428 -6.353) 6.368 23.939 ( 0.936 1.618 -6.823) 7.075 25.066 ( 10.104 2.357 7.587) 12.854 25.272 ( 10.659 -3.492 3.842) 11.856 25.626 ( -6.086 4.082 4.303) 8.498 26.082 ( -10.202 -7.905 -4.529) 13.678 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 3.777 8.630 2.603) 9.773 3.084 ( -5.581 6.573 4.288) 9.630 3.296 ( 9.436 9.093 3.430) 13.546 3.486 ( -3.250 5.943 0.093) 6.774 3.993 ( -1.513 -10.443 12.465) 16.331 4.424 ( 2.582 -14.118 8.781) 16.825 4.756 ( 5.892 2.313 4.461) 7.743 4.940 ( -7.055 -1.020 -1.636) 7.313 5.373 ( 2.863 9.172 -6.572) 11.641 5.522 ( 0.704 6.700 -15.936) 17.301 5.720 ( 3.433 12.635 2.218) 13.280 5.869 ( -7.710 13.470 1.084) 15.558 6.310 ( -2.527 0.248 2.436) 3.519 6.547 ( -2.178 -2.047 1.445) 3.320 6.889 ( 5.239 1.004 -6.833) 8.669 6.926 ( 1.894 -1.435 -4.622) 5.197 7.110 ( 0.889 -2.453 2.411) 3.553 7.206 ( 1.500 6.827 4.030) 8.068 7.984 ( 10.913 -15.547 -9.724) 21.339 8.241 ( -7.957 -6.624 -5.119) 11.550 8.420 ( 10.960 -3.334 3.861) 12.089 8.708 ( -2.926 4.061 11.530) 12.569 9.021 ( 10.086 -6.952 4.220) 12.956 9.302 ( -15.895 1.950 5.248) 16.852 9.805 ( 6.279 -6.587 5.239) 10.501 10.323 ( -10.145 2.478 -2.547) 10.749 10.729 ( 9.170 13.307 -15.190) 22.179 10.997 ( -15.267 7.785 -18.013) 24.863 11.717 ( 3.290 -5.097 -0.240) 6.071 11.776 ( -1.757 0.765 0.168) 1.924 12.093 ( 0.692 -1.030 -9.396) 9.478 12.307 ( -6.664 -1.732 -8.454) 10.903 14.739 ( 4.431 -14.912 21.988) 26.934 15.165 ( 5.084 -9.078 23.381) 25.591 16.350 ( -2.179 -4.632 -18.658) 19.347 16.731 ( -5.146 0.810 -18.339) 19.064 19.088 ( 5.673 -0.156 13.877) 14.993 19.131 ( 2.653 0.241 15.585) 15.812 19.701 ( -2.452 7.217 7.393) 10.619 20.137 ( -1.948 9.843 4.462) 10.981 23.462 ( 0.407 -0.491 0.001) 0.637 23.598 ( 0.677 0.994 1.335) 1.797 23.776 ( 0.021 -1.939 -6.924) 7.191 23.952 ( 0.311 1.519 -6.766) 6.942 25.255 ( 7.495 2.049 6.632) 10.215 25.470 ( -1.555 2.169 5.006) 5.673 25.546 ( 7.751 -3.509 1.629) 8.663 25.851 ( -11.467 -5.631 -1.500) 12.863 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.000 10.616 3.000) 11.031 2.728 ( 0.000 7.802 -11.391) 13.807 3.225 ( 0.000 0.130 -1.990) 1.994 3.390 ( 0.000 -12.749 -14.144) 19.042 3.977 ( 0.000 10.235 0.346) 10.241 4.331 ( 0.000 -20.557 4.326) 21.007 4.776 ( 0.000 10.360 -5.618) 11.785 4.922 ( 0.000 0.125 -2.606) 2.609 5.391 ( 0.000 7.944 -7.158) 10.693 5.503 ( 0.000 -0.431 -9.863) 9.872 5.862 ( 0.000 22.692 18.495) 29.274 5.952 ( 0.000 -0.018 -3.641) 3.641 6.317 ( 0.000 4.964 1.122) 5.089 6.502 ( 0.000 9.956 0.933) 10.000 6.652 ( 0.000 3.151 1.191) 3.369 6.861 ( 0.000 -19.477 13.742) 23.837 7.194 ( 0.000 -11.299 14.347) 18.262 7.280 ( 0.000 -13.195 4.937) 14.089 7.452 ( 0.000 2.778 3.538) 4.498 7.527 ( 0.000 -4.244 2.940) 5.163 8.392 ( 0.000 5.406 4.697) 7.161 8.471 ( 0.000 -1.146 0.166) 1.158 9.672 ( 0.000 1.098 5.541) 5.648 9.777 ( 0.000 -2.641 -1.332) 2.958 9.900 ( 0.000 17.316 -9.093) 19.558 10.296 ( 0.000 -12.386 -7.903) 14.692 10.952 ( 0.000 -5.317 -0.932) 5.398 10.954 ( 0.000 -2.697 3.918) 4.756 11.811 ( 0.000 9.490 -12.613) 15.784 11.993 ( 0.000 -7.789 -13.088) 15.230 12.724 ( 0.000 3.916 -5.252) 6.551 12.791 ( 0.000 -2.775 -4.670) 5.432 13.924 ( 0.000 9.675 0.876) 9.714 14.175 ( 0.000 -14.666 -4.563) 15.359 17.287 ( 0.000 20.804 14.721) 25.485 17.681 ( 0.000 -17.421 9.209) 19.705 18.439 ( 0.000 1.680 1.488) 2.244 18.509 ( 0.000 -5.089 -0.003) 5.089 19.834 ( 0.000 6.532 0.209) 6.535 19.939 ( 0.000 -3.657 1.528) 3.964 23.371 ( 0.000 0.502 0.074) 0.508 23.384 ( 0.000 -0.735 -0.182) 0.757 23.870 ( 0.000 3.576 -5.266) 6.365 23.914 ( 0.000 -0.880 -5.598) 5.666 24.799 ( 0.000 6.483 11.783) 13.449 24.921 ( 0.000 -5.169 10.062) 11.312 25.984 ( 0.000 8.127 -4.626) 9.351 26.179 ( 0.000 -10.652 -6.815) 12.646 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 0.205 12.210 9.316) 15.360 2.823 ( 5.012 -2.830 -11.189) 12.583 3.218 ( -1.988 -2.684 -14.899) 15.268 3.447 ( 4.668 -3.800 -0.012) 6.019 3.981 ( 1.826 7.853 -4.991) 9.483 4.420 ( 2.624 -17.767 14.002) 22.773 4.652 ( -3.277 8.465 -5.050) 10.387 4.908 ( -3.051 -2.266 -7.077) 8.033 5.385 ( 5.535 14.064 -9.292) 17.741 5.627 ( 2.596 -3.277 -9.419) 10.305 5.877 ( 5.527 13.848 3.887) 15.409 6.050 ( 6.392 9.041 8.367) 13.878 6.341 ( 0.337 6.160 2.827) 6.786 6.409 ( -4.564 5.554 1.914) 7.439 6.638 ( 0.914 3.771 1.097) 4.032 6.947 ( 1.487 -7.423 5.320) 9.253 7.195 ( -0.022 -13.845 14.230) 19.854 7.259 ( -6.935 -7.610 5.756) 11.795 7.400 ( 6.937 -9.785 2.980) 12.359 7.591 ( 2.188 -2.461 5.506) 6.416 8.384 ( -0.197 5.562 4.432) 7.115 8.525 ( 3.560 0.784 2.098) 4.206 9.395 ( -17.331 3.349 -0.018) 17.652 9.570 ( -16.507 -11.715 -4.351) 20.704 10.104 ( 12.214 18.257 -5.297) 22.595 10.409 ( 6.320 -3.672 -2.073) 7.597 10.861 ( -3.411 -8.388 2.798) 9.478 11.037 ( 3.673 -3.192 -2.140) 5.316 11.776 ( -3.046 7.488 -13.549) 15.777 12.035 ( 2.126 -6.269 -11.662) 13.409 12.633 ( -8.179 5.088 -4.540) 10.649 12.740 ( -5.259 -4.235 -6.386) 9.294 13.997 ( 6.997 6.979 3.025) 10.335 14.246 ( 7.091 -13.102 -1.842) 15.012 17.146 ( -12.222 18.328 9.698) 24.070 17.491 ( -15.949 -14.498 3.424) 21.824 18.493 ( 6.364 0.950 5.677) 8.581 18.608 ( 6.852 -5.158 3.585) 9.296 19.875 ( 4.217 4.070 2.427) 6.343 20.072 ( 9.910 0.302 1.289) 9.998 23.387 ( 1.420 0.615 0.091) 1.550 23.411 ( 2.587 -0.991 -0.044) 2.770 23.851 ( -1.643 2.195 -5.201) 5.879 23.921 ( 0.708 0.149 -6.072) 6.115 24.833 ( 3.466 5.800 11.078) 12.976 24.945 ( 2.489 -4.822 9.501) 10.942 25.948 ( -3.341 7.554 -3.753) 9.072 26.151 ( -2.731 -9.990 -6.304) 12.124 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 10.422 7.635 15.402) 20.103 2.937 ( 6.955 -10.583 -2.666) 12.941 3.174 ( -0.843 3.086 -18.114) 18.394 3.467 ( -2.663 -1.236 3.234) 4.368 4.057 ( 2.511 5.436 -0.641) 6.022 4.295 ( -9.428 -7.652 10.180) 15.846 4.718 ( 5.999 0.152 -6.674) 8.975 4.980 ( 8.587 -0.725 -5.995) 10.497 5.482 ( 3.827 12.459 -5.031) 13.970 5.713 ( 4.292 -3.277 -9.106) 10.587 5.899 ( -4.362 16.338 2.801) 17.141 6.194 ( 2.639 9.624 -3.261) 10.499 6.298 ( 5.406 4.312 7.504) 10.204 6.438 ( 0.184 -6.779 -2.944) 7.393 6.731 ( 6.544 6.511 3.044) 9.720 6.830 ( -5.832 3.853 2.229) 7.336 7.091 ( -5.260 1.273 3.882) 6.660 7.274 ( 4.591 -17.693 7.076) 19.601 7.571 ( 0.450 -1.074 7.107) 7.202 7.695 ( 14.919 -14.493 5.142) 21.426 8.360 ( -3.439 8.432 3.844) 9.885 8.551 ( -1.664 -1.453 2.387) 3.252 9.066 ( -14.232 -2.451 1.238) 14.494 9.300 ( -5.394 -11.849 -5.851) 14.273 10.268 ( -0.017 18.877 1.593) 18.944 10.474 ( 2.124 3.085 2.412) 4.455 10.841 ( 1.065 -6.176 -3.710) 7.284 11.121 ( 4.704 -7.156 -4.582) 9.712 11.680 ( -6.244 3.245 -13.276) 15.025 12.023 ( -3.847 -3.432 -10.558) 11.750 12.419 ( -11.607 8.337 -4.614) 15.017 12.586 ( -9.038 -6.930 -7.330) 13.544 14.186 ( 10.442 0.334 8.748) 13.626 14.466 ( 13.930 -8.895 4.500) 17.129 16.845 ( -16.265 10.376 -0.058) 19.293 17.142 ( -16.001 -7.479 -5.770) 18.581 18.675 ( 10.643 0.543 10.590) 15.024 18.764 ( 8.611 -4.498 9.168) 13.358 19.954 ( 1.977 4.307 5.650) 7.374 20.253 ( 6.331 2.560 2.798) 7.380 23.419 ( 1.515 0.395 -0.054) 1.566 23.482 ( 3.948 -0.917 0.143) 4.056 23.811 ( -2.072 0.856 -5.314) 5.768 23.941 ( 1.149 0.657 -6.661) 6.791 24.944 ( 7.302 4.241 9.246) 12.522 25.031 ( 6.082 -4.006 7.915) 10.756 25.856 ( -5.372 6.654 -1.711) 8.721 26.064 ( -5.756 -8.815 -4.688) 11.524 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 11.260 4.495 13.495) 18.142 3.109 ( 8.191 -7.639 4.237) 11.975 3.231 ( 7.229 7.546 -7.065) 12.614 3.433 ( 1.929 -2.172 2.349) 3.736 3.998 ( -5.550 3.913 9.775) 11.902 4.163 ( -4.274 -10.209 2.609) 11.371 4.837 ( 4.008 3.468 -6.723) 8.562 5.078 ( -2.728 0.121 -3.895) 4.757 5.596 ( 3.111 9.782 -2.374) 10.536 5.621 ( -4.087 12.049 0.037) 12.723 5.879 ( 1.103 2.914 -5.997) 6.758 6.171 ( -12.440 -8.819 -2.241) 15.413 6.279 ( 3.456 4.499 -2.307) 6.124 6.520 ( 3.974 -1.727 -3.543) 5.597 6.710 ( 0.815 -1.384 0.132) 1.612 6.973 ( 0.407 5.412 2.316) 5.900 7.077 ( 10.151 10.183 3.864) 14.889 7.358 ( 2.232 -11.086 0.722) 11.332 7.593 ( 4.338 7.340 -4.452) 9.619 7.990 ( 6.734 -18.230 -1.204) 19.472 8.288 ( 2.897 8.226 5.726) 10.433 8.521 ( 3.060 -10.810 2.821) 11.584 8.873 ( -4.150 1.269 8.087) 9.178 9.331 ( 4.604 -9.757 -0.390) 10.796 10.075 ( -15.935 15.406 12.004) 25.206 10.488 ( -3.841 -4.571 -0.899) 6.038 10.885 ( 3.321 10.537 -10.316) 15.115 11.185 ( -0.577 -7.903 -10.545) 13.190 11.571 ( -2.372 -1.524 -6.570) 7.150 11.905 ( -5.551 -0.317 -8.846) 10.448 12.209 ( -8.138 8.503 -5.562) 13.017 12.392 ( -9.537 -7.658 -7.516) 14.356 14.390 ( 8.720 -4.261 16.150) 18.842 14.779 ( 15.246 -5.503 12.877) 20.701 16.510 ( -15.409 1.324 -10.662) 18.785 16.875 ( -9.741 -1.220 -15.163) 18.063 18.903 ( 10.690 -0.256 13.177) 16.970 18.963 ( 10.585 -1.470 14.814) 18.266 19.927 ( -4.480 4.241 7.942) 10.056 20.311 ( -0.299 3.370 4.476) 5.611 23.445 ( 1.004 0.157 -0.340) 1.072 23.560 ( 3.343 -0.426 0.431) 3.397 23.772 ( -1.657 -0.046 -5.758) 5.992 23.963 ( 0.830 0.625 -6.752) 6.831 25.123 ( 9.703 3.242 7.023) 12.409 25.197 ( 9.945 -3.722 5.424) 11.924 25.731 ( -6.864 5.756 0.707) 8.986 25.917 ( -8.441 -7.459 -2.143) 11.466 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 5.395 5.908 4.083) 8.982 3.179 ( -0.900 2.321 3.964) 4.680 3.406 ( 4.802 1.630 7.450) 9.012 3.596 ( 13.305 2.355 6.611) 15.042 3.881 ( -9.214 1.929 8.200) 12.484 4.145 ( 4.604 -11.876 9.932) 16.152 4.826 ( -6.794 3.716 0.107) 7.745 4.907 ( -5.739 -2.271 -2.531) 6.671 5.560 ( -1.144 7.732 -6.229) 9.995 5.630 ( -1.284 2.744 -9.855) 10.310 5.913 ( 3.143 5.498 -2.047) 6.656 6.010 ( -4.188 -0.634 -2.348) 4.843 6.370 ( 6.242 5.682 -0.441) 8.452 6.520 ( -3.395 1.209 3.075) 4.737 6.708 ( -1.366 -10.159 -4.237) 11.092 6.974 ( 0.439 0.103 -4.472) 4.495 7.207 ( 1.972 10.620 -2.886) 11.180 7.408 ( 1.768 7.147 -0.265) 7.367 7.686 ( 4.021 -8.585 -13.388) 16.405 7.918 ( -6.439 -16.823 -13.145) 22.300 8.536 ( 14.720 5.838 13.499) 20.809 8.772 ( 1.727 3.207 10.986) 11.574 8.866 ( 17.505 -6.181 8.921) 20.597 9.306 ( -12.816 -2.820 3.559) 13.597 9.759 ( -8.832 1.706 10.617) 13.916 10.337 ( -7.274 -0.472 2.943) 7.861 10.967 ( 4.260 8.116 -17.317) 19.593 11.096 ( -5.753 1.899 -16.613) 17.684 11.585 ( 1.724 -5.613 2.071) 6.227 11.859 ( 0.330 4.968 -2.501) 5.571 12.099 ( -2.060 2.239 -9.680) 10.147 12.216 ( -6.504 -6.412 -8.290) 12.334 14.519 ( 3.389 -5.790 21.612) 22.629 15.031 ( 7.546 -3.556 22.659) 24.145 16.261 ( -7.349 -2.882 -21.388) 22.799 16.741 ( -3.289 0.195 -21.564) 21.814 19.072 ( 4.748 -0.471 14.568) 15.329 19.164 ( 7.001 1.340 19.774) 21.020 19.811 ( -4.885 2.976 7.502) 9.434 20.278 ( -1.694 3.631 5.069) 6.461 23.459 ( 0.340 0.047 -0.520) 0.623 23.609 ( 1.332 0.224 1.235) 1.830 23.747 ( -0.713 -0.788 -6.655) 6.740 23.974 ( 0.248 0.556 -6.637) 6.665 25.317 ( 7.994 4.042 4.739) 10.134 25.414 ( 9.846 -5.133 2.300) 11.339 25.581 ( -7.056 4.300 2.968) 8.780 25.732 ( -8.498 -5.395 1.223) 10.140 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.000 0.000 24.164) 24.164 2.978 ( 0.000 0.000 -0.502) 0.502 3.121 ( 0.000 0.000 -15.305) 15.305 3.130 ( 0.000 0.000 18.929) 18.929 3.931 ( 0.000 0.000 -14.375) 14.375 3.964 ( 0.000 0.000 -4.595) 4.595 4.367 ( 0.000 0.000 -13.623) 13.623 4.371 ( 0.000 0.000 -9.156) 9.156 5.267 ( 0.000 0.000 14.648) 14.648 5.543 ( 0.000 0.000 10.296) 10.296 5.608 ( 0.000 0.000 1.854) 1.854 5.891 ( 0.000 0.000 23.232) 23.232 5.893 ( 0.000 0.000 -6.558) 6.558 6.605 ( 0.000 0.000 2.920) 2.920 7.095 ( 0.000 0.000 -10.915) 10.915 7.215 ( 0.000 0.000 4.466) 4.466 7.315 ( 0.000 0.000 -21.802) 21.802 7.327 ( 0.000 0.000 4.033) 4.033 7.699 ( 0.000 0.000 4.032) 4.032 7.911 ( 0.000 0.000 -4.679) 4.679 8.415 ( 0.000 0.000 3.165) 3.165 8.655 ( 0.000 0.000 -6.831) 6.831 8.807 ( 0.000 0.000 20.652) 20.652 9.626 ( 0.000 0.000 -11.014) 11.014 10.488 ( 0.000 0.000 -4.761) 4.761 10.495 ( 0.000 0.000 -13.470) 13.470 10.862 ( 0.000 0.000 17.028) 17.028 10.956 ( 0.000 0.000 8.472) 8.472 11.631 ( 0.000 0.000 -9.158) 9.158 11.885 ( 0.000 0.000 -19.520) 19.520 12.561 ( 0.000 0.000 5.586) 5.586 12.806 ( 0.000 0.000 -6.195) 6.195 14.194 ( 0.000 0.000 12.435) 12.435 14.703 ( 0.000 0.000 -15.637) 15.637 16.832 ( 0.000 0.000 30.072) 30.072 17.764 ( 0.000 0.000 -17.395) 17.395 18.661 ( 0.000 0.000 1.377) 1.377 18.761 ( 0.000 0.000 -3.540) 3.540 19.706 ( 0.000 0.000 12.815) 12.815 20.027 ( 0.000 0.000 -1.635) 1.635 23.388 ( 0.000 0.000 0.411) 0.411 23.406 ( 0.000 0.000 -0.494) 0.494 23.592 ( 0.000 0.000 3.512) 3.512 23.778 ( 0.000 0.000 -5.921) 5.921 24.732 ( 0.000 0.000 9.358) 9.358 24.988 ( 0.000 0.000 -3.485) 3.485 25.951 ( 0.000 0.000 10.261) 10.261 26.428 ( 0.000 0.000 -13.179) 13.179 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 27.823 0.000 20.252) 34.413 2.842 ( -8.028 0.000 5.953) 9.994 3.229 ( 3.440 0.000 1.497) 3.752 3.327 ( 17.134 0.000 -13.388) 21.745 3.954 ( -0.086 0.000 -4.698) 4.699 4.002 ( 8.087 0.000 -5.658) 9.870 4.303 ( -4.848 0.000 -12.429) 13.341 4.481 ( 10.021 0.000 -7.277) 12.384 5.193 ( -5.423 0.000 16.233) 17.115 5.465 ( -12.326 0.000 3.237) 12.744 5.591 ( 4.628 0.000 5.050) 6.850 5.761 ( -11.457 0.000 -5.675) 12.786 5.857 ( -3.030 0.000 25.582) 25.761 6.638 ( 2.306 0.000 1.783) 2.915 7.030 ( -5.000 0.000 -9.859) 11.054 7.208 ( -2.081 0.000 4.159) 4.650 7.364 ( 3.620 0.000 -20.146) 20.469 7.398 ( 0.525 0.000 -1.675) 1.755 7.637 ( 0.311 0.000 9.945) 9.950 7.984 ( 6.593 0.000 -5.145) 8.363 8.453 ( 3.922 0.000 4.760) 6.168 8.740 ( 7.872 0.000 -8.193) 11.362 8.781 ( -2.345 0.000 16.949) 17.110 9.565 ( -6.263 0.000 -14.868) 16.134 10.347 ( -3.998 0.000 2.182) 4.554 10.467 ( -22.533 0.000 15.264) 27.216 10.719 ( 11.347 0.000 -15.415) 19.141 11.008 ( -12.921 0.000 -8.794) 15.629 11.547 ( 5.619 0.000 7.439) 9.323 12.098 ( 9.833 0.000 -17.264) 19.868 12.451 ( -10.455 0.000 6.138) 12.123 12.714 ( -8.625 0.000 -6.525) 10.815 14.369 ( 15.934 0.000 10.943) 19.330 14.849 ( 13.870 0.000 -15.224) 20.595 16.663 ( -13.958 0.000 28.773) 31.979 17.559 ( -16.568 0.000 -17.599) 24.171 18.788 ( 12.371 0.000 4.787) 13.265 18.992 ( 16.429 0.000 -4.738) 17.098 19.612 ( -8.008 0.000 15.213) 17.192 19.996 ( -3.098 0.000 -2.704) 4.112 23.411 ( 2.167 0.000 0.989) 2.382 23.466 ( 5.133 0.000 -2.117) 5.552 23.589 ( -0.325 0.000 3.259) 3.275 23.771 ( -0.592 0.000 -5.958) 5.987 24.790 ( 5.472 0.000 8.973) 10.510 25.029 ( 3.983 0.000 -3.026) 5.002 25.925 ( -2.550 0.000 10.465) 10.771 26.394 ( -3.341 0.000 -12.680) 13.112 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -4.563 0.000 3.915) 6.012 3.201 ( -5.527 0.000 -12.669) 13.822 3.205 ( 9.582 0.000 15.758) 18.442 3.598 ( 4.163 0.000 -12.114) 12.809 4.072 ( 13.111 0.000 -2.064) 13.272 4.277 ( 17.650 0.000 6.859) 18.936 4.283 ( 7.104 0.000 -9.575) 11.922 4.745 ( 14.622 0.000 -4.173) 15.205 5.157 ( 4.563 0.000 13.849) 14.582 5.181 ( -13.477 0.000 5.838) 14.687 5.494 ( -13.037 0.000 -4.100) 13.667 5.634 ( -4.137 0.000 -9.537) 10.396 5.905 ( 13.041 0.000 35.916) 38.210 6.653 ( -1.765 0.000 -0.128) 1.769 6.932 ( -3.904 0.000 -4.518) 5.971 7.079 ( -11.030 0.000 2.210) 11.249 7.206 ( -13.265 0.000 -2.339) 13.470 7.449 ( 5.404 0.000 -19.126) 19.875 7.849 ( 14.915 0.000 10.594) 18.294 8.148 ( 7.522 0.000 0.272) 7.527 8.579 ( 8.008 0.000 8.083) 11.378 8.728 ( -1.868 0.000 6.103) 6.382 8.956 ( 12.464 0.000 -9.715) 15.803 9.374 ( -11.746 0.000 -19.851) 23.065 10.031 ( -18.705 0.000 12.915) 22.730 10.295 ( -2.648 0.000 11.821) 12.114 10.630 ( -19.700 0.000 -16.538) 25.721 10.917 ( 6.627 0.000 -19.683) 20.768 11.720 ( 7.690 0.000 10.773) 13.236 12.156 ( -16.949 0.000 8.584) 18.999 12.201 ( 0.642 0.000 -13.566) 13.582 12.480 ( -13.080 0.000 -7.474) 15.065 14.780 ( 22.414 0.000 10.178) 24.617 15.235 ( 22.242 0.000 -14.336) 26.462 16.358 ( -14.262 0.000 26.820) 30.376 17.192 ( -17.933 0.000 -16.981) 24.698 19.068 ( 12.894 0.000 7.028) 14.685 19.311 ( 13.413 0.000 -4.091) 14.023 19.437 ( -7.691 0.000 18.049) 19.619 19.908 ( -5.085 0.000 -4.233) 6.616 23.466 ( 2.895 0.000 1.872) 3.447 23.581 ( -0.368 0.000 2.888) 2.912 23.583 ( 5.564 0.000 -4.521) 7.169 23.759 ( -0.405 0.000 -6.106) 6.119 24.948 ( 9.590 0.000 7.992) 12.483 25.151 ( 7.880 0.000 -2.056) 8.144 25.850 ( -4.694 0.000 10.702) 11.686 26.291 ( -6.669 0.000 -11.199) 13.035 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 0.951 0.000 0.120) 0.959 3.055 ( -7.124 0.000 -12.289) 14.204 3.120 ( -11.489 0.000 10.883) 15.825 3.484 ( -12.956 0.000 -11.072) 17.042 4.303 ( 9.174 0.000 6.067) 10.999 4.618 ( 17.955 0.000 -11.719) 21.441 4.643 ( 13.987 0.000 6.633) 15.480 4.905 ( -3.937 0.000 0.309) 3.949 5.105 ( 11.420 0.000 5.463) 12.659 5.281 ( -5.530 0.000 -0.235) 5.535 5.332 ( 7.301 0.000 9.346) 11.860 5.557 ( 0.104 0.000 0.116) 0.156 6.316 ( 21.399 0.000 17.827) 27.851 6.576 ( -3.194 0.000 1.146) 3.393 6.778 ( -16.080 0.000 2.933) 16.345 6.895 ( 2.485 0.000 3.128) 3.995 6.967 ( -10.194 0.000 -6.743) 12.222 7.634 ( 13.613 0.000 -17.777) 22.391 8.071 ( -1.509 0.000 16.334) 16.404 8.259 ( 9.152 0.000 7.553) 11.867 8.722 ( -1.854 0.000 -6.186) 6.457 8.745 ( 6.568 0.000 12.728) 14.323 9.143 ( -7.191 0.000 -23.429) 24.508 9.187 ( 7.370 0.000 -5.855) 9.413 9.785 ( -1.752 0.000 2.857) 3.352 10.185 ( -8.512 0.000 14.538) 16.847 10.255 ( -16.160 0.000 -17.734) 23.993 10.907 ( -9.841 0.000 -22.286) 24.362 11.831 ( 3.283 0.000 7.148) 7.866 11.860 ( -8.714 0.000 10.637) 13.751 12.158 ( -3.961 0.000 -9.801) 10.571 12.227 ( -10.460 0.000 -7.892) 13.104 15.235 ( 20.960 0.000 12.380) 24.344 15.702 ( 22.262 0.000 -12.855) 25.707 16.100 ( -11.116 0.000 24.241) 26.669 16.839 ( -16.593 0.000 -15.167) 22.480 19.273 ( 6.657 0.000 8.038) 10.437 19.330 ( -2.493 0.000 17.119) 17.299 19.523 ( 7.297 0.000 -2.979) 7.882 19.802 ( -4.946 0.000 -4.588) 6.747 23.519 ( 2.163 0.000 2.497) 3.303 23.574 ( -0.277 0.000 2.773) 2.786 23.678 ( 3.497 0.000 -5.852) 6.817 23.754 ( -0.174 0.000 -6.293) 6.295 25.164 ( 10.967 0.000 7.373) 13.215 25.353 ( 11.689 0.000 -1.834) 11.832 25.733 ( -6.633 0.000 10.396) 12.332 26.121 ( -9.884 0.000 -8.881) 13.287 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 5.486 0.000 -0.932) 5.565 2.888 ( -9.480 0.000 5.556) 10.988 2.987 ( 2.616 0.000 -6.956) 7.432 3.180 ( -14.325 0.000 -8.201) 16.506 4.485 ( 8.644 0.000 4.892) 9.932 4.650 ( -7.112 0.000 1.881) 7.357 4.857 ( 5.933 0.000 -13.128) 14.406 4.925 ( -0.623 0.000 -6.095) 6.126 5.274 ( 9.519 0.000 9.464) 13.423 5.394 ( -0.305 0.000 13.197) 13.201 5.408 ( 10.570 0.000 7.513) 12.968 5.564 ( -3.586 0.000 4.585) 5.821 6.417 ( -1.462 0.000 2.578) 2.964 6.497 ( -9.798 0.000 3.114) 10.281 6.672 ( 4.870 0.000 -7.952) 9.325 6.786 ( -7.190 0.000 -10.256) 12.525 7.239 ( 28.390 0.000 18.748) 34.021 7.788 ( -22.139 0.000 17.764) 28.384 8.011 ( 22.045 0.000 -14.272) 26.262 8.457 ( -15.237 0.000 -4.929) 16.014 8.540 ( 8.336 0.000 5.307) 9.882 8.754 ( -6.749 0.000 14.957) 16.409 9.187 ( 7.021 0.000 -17.056) 18.445 9.253 ( 1.102 0.000 -3.519) 3.688 9.908 ( 1.238 0.000 -9.001) 9.085 9.980 ( -9.158 0.000 7.360) 11.750 10.099 ( 11.720 0.000 -12.866) 17.404 10.533 ( -23.382 0.000 -16.855) 28.824 11.818 ( 2.276 0.000 5.196) 5.672 11.860 ( -0.523 0.000 3.829) 3.865 12.075 ( -2.956 0.000 -6.735) 7.355 12.079 ( -3.705 0.000 -6.527) 7.505 15.612 ( 15.487 0.000 16.218) 22.425 15.879 ( -11.114 0.000 20.560) 23.371 16.129 ( 19.245 0.000 -11.916) 22.635 16.498 ( -16.991 0.000 -12.956) 21.367 19.324 ( 1.238 0.000 13.280) 13.338 19.342 ( 0.485 0.000 9.684) 9.696 19.632 ( 4.041 0.000 -2.662) 4.838 19.711 ( -3.957 0.000 -3.645) 5.380 23.553 ( 1.113 0.000 2.747) 2.964 23.568 ( -0.452 0.000 2.785) 2.821 23.728 ( 1.562 0.000 -6.305) 6.496 23.748 ( -0.501 0.000 -6.383) 6.403 25.383 ( 10.194 0.000 8.094) 13.016 25.577 ( -8.579 0.000 9.407) 12.732 25.617 ( 13.561 0.000 -3.419) 13.986 25.889 ( -12.536 0.000 -6.089) 13.937 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 1.433 16.372) 16.435 2.828 ( 0.000 -11.646 1.340) 11.723 3.048 ( 0.000 5.808 1.870) 6.101 3.445 ( 0.000 7.596 -4.637) 8.899 3.860 ( 0.000 2.465 -12.546) 12.786 3.876 ( 0.000 -4.784 -5.786) 7.508 4.555 ( 0.000 13.991 -3.660) 14.462 4.603 ( 0.000 18.228 -12.108) 21.883 5.275 ( 0.000 -0.690 8.001) 8.031 5.454 ( 0.000 -10.749 0.387) 10.756 5.648 ( 0.000 5.887 3.769) 6.990 5.822 ( 0.000 3.190 30.723) 30.888 6.037 ( 0.000 7.084 -1.248) 7.193 6.616 ( 0.000 -2.098 4.153) 4.653 6.866 ( 0.000 -12.829 -4.531) 13.606 7.011 ( 0.000 -11.306 -9.809) 14.968 7.429 ( 0.000 10.810 -0.248) 10.813 7.467 ( 0.000 2.527 3.747) 4.519 7.826 ( 0.000 -7.689 -3.128) 8.301 7.842 ( 0.000 8.117 -7.547) 11.084 8.402 ( 0.000 -0.861 2.221) 2.382 8.568 ( 0.000 -6.395 3.455) 7.269 8.912 ( 0.000 9.616 10.926) 14.555 9.697 ( 0.000 5.897 -10.172) 11.758 10.345 ( 0.000 -11.919 -1.775) 12.050 10.371 ( 0.000 -9.520 -9.612) 13.529 10.964 ( 0.000 6.763 9.238) 11.449 11.006 ( 0.000 3.068 5.019) 5.882 11.593 ( 0.000 -3.124 -6.987) 7.654 11.884 ( 0.000 -0.169 -17.713) 17.714 12.570 ( 0.000 0.912 4.227) 4.325 12.793 ( 0.000 -1.327 -5.991) 6.136 14.101 ( 0.000 -7.568 12.356) 14.490 14.581 ( 0.000 -10.807 -13.731) 17.474 16.965 ( 0.000 11.990 27.527) 30.025 17.826 ( 0.000 4.891 -15.525) 16.277 18.616 ( 0.000 -4.167 2.133) 4.681 18.713 ( 0.000 -4.433 -3.032) 5.371 19.710 ( 0.000 0.669 10.760) 10.781 20.018 ( 0.000 -0.976 -2.380) 2.572 23.381 ( 0.000 -0.523 0.568) 0.772 23.402 ( 0.000 -0.404 -0.502) 0.644 23.636 ( 0.000 3.820 1.981) 4.303 23.789 ( 0.000 1.000 -5.587) 5.676 24.773 ( 0.000 3.881 9.541) 10.300 25.015 ( 0.000 2.507 -2.386) 3.461 25.931 ( 0.000 -1.763 8.970) 9.141 26.371 ( 0.000 -5.395 -12.242) 13.377 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 14.010 -4.795 7.602) 16.645 2.868 ( 6.081 -5.520 12.175) 14.686 3.097 ( 6.094 1.414 -3.609) 7.222 3.546 ( 7.868 6.179 -7.932) 12.767 3.817 ( -0.758 -6.373 -9.782) 11.699 3.990 ( 8.355 2.904 -5.120) 10.220 4.530 ( -2.511 17.935 -7.877) 19.749 4.669 ( 7.085 13.366 -3.054) 15.432 5.193 ( -5.478 -0.169 9.484) 10.954 5.415 ( -3.646 -7.676 -1.496) 8.628 5.614 ( -4.546 6.333 2.912) 8.321 5.813 ( 0.363 7.343 20.841) 22.099 5.961 ( -5.971 7.796 9.230) 13.477 6.639 ( 1.898 -1.888 2.778) 3.858 6.866 ( -0.274 -12.844 -3.828) 13.405 6.995 ( -2.303 -11.136 -11.351) 16.067 7.388 ( -1.994 2.405 2.478) 3.987 7.474 ( -3.582 3.595 0.287) 5.083 7.790 ( 1.290 4.072 -1.755) 4.618 7.953 ( 8.383 -0.090 -5.364) 9.953 8.430 ( 2.792 -1.502 4.453) 5.466 8.649 ( 6.267 -5.767 5.991) 10.413 8.885 ( -1.206 8.095 2.427) 8.537 9.611 ( -8.546 3.317 -14.516) 17.169 10.216 ( -5.731 -9.936 5.223) 12.603 10.407 ( -6.231 -5.574 3.678) 9.134 10.794 ( -1.226 6.255 -7.366) 9.741 11.048 ( -9.251 2.002 -8.787) 12.916 11.550 ( 5.230 0.512 6.966) 8.726 12.051 ( 7.675 -4.106 -15.099) 17.428 12.472 ( -9.335 1.642 4.101) 10.328 12.709 ( -7.784 -0.593 -6.544) 10.187 14.265 ( 15.157 -8.631 11.097) 20.673 14.710 ( 12.283 -12.087 -12.622) 21.361 16.799 ( -13.759 11.861 25.193) 31.059 17.597 ( -18.429 2.637 -15.365) 24.139 18.737 ( 11.295 -4.361 5.490) 13.294 18.916 ( 13.819 -6.456 -2.807) 15.509 19.677 ( -2.446 5.507 11.299) 12.805 20.014 ( -0.430 1.537 -3.118) 3.503 23.402 ( 2.019 -0.631 1.058) 2.365 23.449 ( 4.030 -1.189 -1.197) 4.369 23.636 ( 0.068 3.831 1.263) 4.034 23.781 ( -0.606 0.975 -5.650) 5.766 24.825 ( 4.956 3.343 9.093) 10.882 25.051 ( 3.454 1.973 -1.999) 4.452 25.906 ( -2.385 -1.600 9.185) 9.624 26.339 ( -3.161 -5.218 -11.777) 13.263 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -1.859 -1.112 0.548) 2.234 3.060 ( 1.849 -9.647 -5.706) 11.360 3.317 ( 11.195 6.540 12.358) 17.912 3.623 ( -1.024 -0.219 -2.237) 2.470 3.921 ( 10.606 -7.333 -9.055) 15.756 4.181 ( 10.248 -2.110 -11.044) 15.213 4.573 ( 8.302 15.900 3.266) 18.232 4.816 ( 6.777 4.737 2.062) 8.522 5.180 ( 2.983 5.650 4.767) 7.972 5.304 ( -6.061 2.234 4.253) 7.734 5.470 ( -5.131 7.249 -0.616) 8.902 5.746 ( -8.540 7.937 -5.965) 13.096 6.024 ( 15.296 11.320 31.126) 36.482 6.665 ( -0.923 -1.314 2.921) 3.333 6.806 ( -5.063 -7.359 -4.929) 10.202 6.956 ( -1.017 -11.414 -6.659) 13.253 7.258 ( -12.843 3.152 -1.174) 13.276 7.365 ( -2.654 -4.628 -5.225) 7.467 7.925 ( 10.494 2.420 5.591) 12.134 8.152 ( 9.059 -1.755 -0.326) 9.233 8.493 ( 2.422 -3.220 7.059) 8.128 8.718 ( 1.449 -3.818 8.555) 9.479 8.973 ( 8.430 2.750 -12.924) 15.673 9.388 ( -10.404 -0.036 -16.966) 19.902 10.020 ( -13.058 -0.578 11.877) 17.661 10.293 ( -2.735 0.673 9.568) 9.974 10.663 ( -14.657 3.463 -14.217) 20.711 10.964 ( 2.830 3.565 -18.430) 18.983 11.690 ( 5.418 -2.659 9.458) 11.220 12.088 ( -5.096 -5.501 -4.398) 8.693 12.229 ( -11.503 1.974 -0.220) 11.673 12.506 ( -10.885 1.794 -7.921) 13.580 14.662 ( 21.853 -10.163 10.331) 26.221 15.054 ( 19.917 -15.006 -9.485) 26.680 16.499 ( -13.976 11.258 20.373) 27.150 17.187 ( -20.140 -1.007 -14.494) 24.834 18.985 ( 11.344 -5.693 8.567) 15.313 19.162 ( 9.421 -8.808 1.366) 12.970 19.642 ( -0.652 13.004 9.748) 16.265 19.997 ( -1.361 7.207 -4.249) 8.476 23.452 ( 2.462 -1.073 1.876) 3.276 23.536 ( 3.671 -1.893 -0.867) 4.220 23.645 ( 0.950 3.208 -1.270) 3.578 23.772 ( -0.163 1.142 -5.869) 5.982 24.970 ( 8.939 2.141 7.964) 12.162 25.159 ( 7.132 0.724 -1.186) 7.266 25.836 ( -4.382 -1.135 9.478) 10.503 26.242 ( -6.285 -4.663 -10.376) 12.996 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 2.438 2.471 -0.909) 3.588 3.031 ( -2.116 -1.359 -10.020) 10.331 3.268 ( -10.527 12.001 9.970) 18.821 3.533 ( -10.305 3.377 -4.141) 11.607 4.179 ( 12.915 -9.464 1.237) 16.059 4.467 ( 16.497 -9.510 -9.090) 21.101 4.747 ( 3.641 3.403 6.214) 7.965 4.967 ( 3.977 5.673 -1.729) 7.141 5.156 ( 3.459 6.529 8.502) 11.264 5.218 ( -1.960 -1.404 4.662) 5.248 5.517 ( 1.498 11.502 -0.516) 11.611 5.652 ( 2.953 9.484 -0.610) 9.952 6.416 ( 14.528 8.094 13.297) 21.293 6.590 ( -1.676 -0.244 5.618) 5.867 6.694 ( -5.876 -3.154 -1.953) 6.949 6.946 ( -7.858 -1.420 -7.179) 10.738 6.993 ( -1.030 4.976 2.722) 5.765 7.391 ( 6.004 -16.221 -5.058) 18.021 8.114 ( 1.667 -2.940 7.906) 8.598 8.265 ( 7.308 -3.487 6.849) 10.605 8.537 ( -1.230 -2.957 0.025) 3.202 8.784 ( 5.027 -9.887 -4.855) 12.108 9.021 ( -1.507 2.377 -3.161) 4.232 9.352 ( 3.896 5.396 -10.989) 12.847 9.825 ( -1.870 3.994 4.755) 6.485 10.213 ( -5.902 3.702 7.634) 10.336 10.343 ( -15.517 7.650 -13.399) 21.883 10.916 ( -10.545 0.862 -21.151) 23.650 11.747 ( 1.196 -4.804 6.352) 8.053 11.919 ( -5.984 1.440 8.268) 10.307 12.073 ( -5.359 -4.135 -7.451) 10.067 12.297 ( -9.054 3.444 -8.483) 12.876 15.107 ( 20.393 -11.328 12.820) 26.619 15.467 ( 18.860 -16.905 -2.513) 25.452 16.254 ( -9.540 9.211 11.372) 17.469 16.793 ( -18.050 -4.240 -13.557) 22.969 19.184 ( 8.207 -3.427 10.536) 13.788 19.309 ( 5.313 -4.953 7.139) 10.184 19.639 ( -0.166 11.533 5.050) 12.592 19.952 ( -3.066 11.054 -4.946) 12.492 23.494 ( 1.491 -1.692 2.413) 3.303 23.587 ( 1.514 0.271 1.613) 2.229 23.672 ( 1.324 -0.023 -4.860) 5.038 23.776 ( 0.499 1.760 -6.153) 6.420 25.174 ( 10.430 0.992 7.136) 12.676 25.345 ( 10.909 -0.732 -1.069) 10.986 25.728 ( -6.188 -0.425 9.283) 11.164 26.081 ( -9.298 -3.714 -8.140) 12.904 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 7.634 5.695 0.874) 9.564 2.986 ( -7.175 6.870 1.969) 10.127 3.093 ( 0.888 10.477 -3.837) 11.193 3.273 ( -12.567 8.656 -5.826) 16.334 4.399 ( 8.403 -7.876 6.835) 13.392 4.643 ( -6.282 -1.644 1.930) 6.774 4.790 ( 10.211 -4.776 -9.889) 14.995 4.949 ( -4.857 -0.050 -6.578) 8.177 5.266 ( 6.525 2.073 7.281) 9.994 5.343 ( 6.600 0.633 13.984) 15.476 5.552 ( 3.783 7.856 3.091) 9.251 5.667 ( -4.095 8.949 2.212) 10.087 6.390 ( -4.494 -1.494 4.208) 6.336 6.537 ( -5.103 2.351 0.805) 5.676 6.701 ( 1.843 2.732 -7.684) 8.361 6.770 ( -5.180 -0.979 -9.782) 11.112 7.282 ( 20.308 2.601 14.678) 25.192 7.534 ( 1.788 -15.938 12.157) 20.125 8.052 ( 0.773 -5.004 -9.847) 11.072 8.288 ( -15.045 -12.394 -10.471) 22.127 8.557 ( 13.898 1.802 10.743) 17.658 8.849 ( -5.900 5.485 13.387) 15.624 9.058 ( 5.578 -0.809 -5.679) 8.001 9.376 ( 0.561 1.125 -2.913) 3.172 9.945 ( 4.855 2.570 -0.888) 5.565 10.034 ( -9.474 6.474 -5.003) 12.518 10.177 ( 6.546 7.836 -12.015) 15.767 10.558 ( -20.733 2.655 -16.946) 26.909 11.796 ( 3.010 -2.139 3.165) 4.864 11.858 ( -1.385 -0.456 5.697) 5.880 12.002 ( -1.422 -3.169 -5.927) 6.870 12.145 ( -5.040 2.343 -7.380) 9.239 15.449 ( 11.111 -13.995 17.979) 25.349 15.749 ( 6.053 -10.067 15.117) 19.144 16.149 ( 1.276 -1.248 -9.639) 9.803 16.459 ( -13.266 -3.005 -13.611) 19.242 19.317 ( 4.075 0.257 10.536) 11.300 19.387 ( 2.104 2.830 13.994) 14.432 19.629 ( -0.490 4.256 -0.532) 4.317 19.885 ( -2.561 11.569 -5.542) 13.081 23.513 ( 0.443 -1.995 2.581) 3.292 23.606 ( 0.424 1.879 2.737) 3.347 23.690 ( 0.448 -2.128 -6.242) 6.610 23.786 ( 0.297 2.111 -6.315) 6.665 25.380 ( 9.126 -0.219 7.639) 11.903 25.574 ( -0.944 -0.774 5.510) 5.644 25.601 ( 5.763 -0.924 0.246) 5.842 25.865 ( -11.343 -2.224 -5.398) 12.758 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.000 3.143 1.818) 3.630 2.649 ( 0.000 -5.988 -1.905) 6.283 3.148 ( 0.000 2.178 -0.660) 2.276 3.351 ( 0.000 -10.217 -11.088) 15.078 3.866 ( 0.000 5.524 1.915) 5.847 4.147 ( 0.000 19.041 -8.253) 20.753 4.844 ( 0.000 12.449 4.369) 13.194 4.922 ( 0.000 4.263 -4.071) 5.894 5.187 ( 0.000 -7.814 -5.023) 9.290 5.221 ( 0.000 -3.174 -4.293) 5.339 5.834 ( 0.000 8.439 1.549) 8.580 5.995 ( 0.000 10.437 18.555) 21.289 6.210 ( 0.000 11.170 11.627) 16.123 6.469 ( 0.000 -5.988 4.118) 7.268 6.652 ( 0.000 -6.211 -1.791) 6.464 6.971 ( 0.000 3.373 -3.696) 5.004 7.486 ( 0.000 -0.314 3.689) 3.702 7.537 ( 0.000 -3.342 0.163) 3.346 7.661 ( 0.000 -5.450 1.816) 5.744 7.843 ( 0.000 -9.636 -1.009) 9.689 8.412 ( 0.000 2.564 0.472) 2.607 8.471 ( 0.000 -1.500 7.554) 7.702 9.200 ( 0.000 18.038 -0.171) 18.039 9.788 ( 0.000 0.623 -4.206) 4.251 10.079 ( 0.000 -12.659 0.956) 12.695 10.192 ( 0.000 -6.480 -14.279) 15.681 11.022 ( 0.000 -2.633 1.371) 2.968 11.029 ( 0.000 -1.186 1.011) 1.558 11.568 ( 0.000 2.573 -0.811) 2.697 11.872 ( 0.000 -1.387 -12.651) 12.726 12.597 ( 0.000 1.752 0.784) 1.919 12.752 ( 0.000 -2.511 -5.413) 5.967 13.968 ( 0.000 -4.012 9.204) 10.041 14.325 ( 0.000 -12.959 -9.601) 16.128 17.261 ( 0.000 15.825 21.820) 26.955 17.894 ( 0.000 0.309 -8.575) 8.581 18.519 ( 0.000 -4.355 3.118) 5.356 18.604 ( 0.000 -5.641 -1.838) 5.933 19.745 ( 0.000 2.933 5.303) 6.060 19.983 ( 0.000 -2.530 -3.562) 4.369 23.373 ( 0.000 -0.225 0.465) 0.517 23.391 ( 0.000 -0.585 -0.441) 0.732 23.723 ( 0.000 4.179 -0.667) 4.232 23.811 ( 0.000 0.964 -4.828) 4.923 24.880 ( 0.000 6.235 9.851) 11.659 25.073 ( 0.000 2.482 1.147) 2.735 25.896 ( 0.000 -1.048 4.757) 4.871 26.223 ( 0.000 -8.636 -9.997) 13.211 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 8.798 -0.966 -1.670) 9.007 2.726 ( 7.155 -5.504 1.630) 9.173 3.118 ( 0.627 -3.136 -1.723) 3.632 3.501 ( 12.005 -6.877 -10.634) 17.450 3.812 ( -4.213 6.865 3.721) 8.872 4.209 ( 4.294 15.377 -8.651) 18.159 4.832 ( -5.771 2.313 0.715) 6.258 4.924 ( 4.449 15.435 -0.401) 16.069 5.100 ( -2.619 -11.200 4.058) 12.197 5.337 ( 7.757 5.613 -9.247) 13.311 5.810 ( -2.570 7.866 3.427) 8.956 5.992 ( -0.338 8.615 5.190) 10.064 6.198 ( -0.736 16.449 20.985) 26.674 6.532 ( 0.631 -5.206 2.136) 5.662 6.604 ( 2.099 -8.323 -1.274) 8.678 6.949 ( -3.683 2.797 -5.856) 7.462 7.360 ( -8.426 -3.930 4.023) 10.131 7.490 ( -5.134 -4.311 -1.616) 6.896 7.740 ( 6.759 -4.626 3.384) 8.862 7.937 ( 6.691 -6.089 -0.020) 9.047 8.417 ( 1.476 0.897 5.364) 5.635 8.563 ( 6.357 -1.051 8.176) 10.409 9.106 ( -6.864 12.125 -6.335) 15.306 9.619 ( -15.667 -4.347 -12.071) 20.250 10.027 ( 1.366 -6.182 7.322) 9.680 10.324 ( 5.045 -1.524 -6.455) 8.333 10.912 ( -5.421 4.086 -3.821) 7.790 11.022 ( -3.732 -4.852 -5.491) 8.223 11.583 ( 2.831 2.970 4.657) 6.207 11.955 ( 4.064 -4.885 -11.354) 13.012 12.508 ( -8.493 1.990 1.015) 8.782 12.684 ( -6.250 -1.961 -6.298) 9.087 14.101 ( 12.641 -5.747 8.969) 16.531 14.433 ( 10.320 -13.643 -8.127) 18.939 17.077 ( -15.359 14.105 18.031) 27.568 17.617 ( -21.766 -1.512 -8.829) 23.537 18.648 ( 10.893 -3.573 6.025) 12.951 18.774 ( 11.695 -6.593 -0.045) 13.425 19.800 ( 4.589 5.976 5.220) 9.166 20.041 ( 4.941 0.678 -3.855) 6.304 23.392 ( 1.769 -0.288 0.871) 1.993 23.427 ( 3.099 -1.022 -0.663) 3.329 23.717 ( -0.497 3.729 -1.083) 3.914 23.804 ( -0.530 1.051 -5.000) 5.137 24.917 ( 3.660 5.430 9.282) 11.359 25.095 ( 2.291 1.864 1.266) 3.213 25.875 ( -1.992 -0.854 5.084) 5.526 26.196 ( -2.644 -8.295 -9.557) 12.928 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 3.550 1.983 -5.265) 6.653 2.890 ( 6.751 -5.979 -3.471) 9.663 3.280 ( 14.830 -9.097 8.512) 19.369 3.650 ( -3.802 -1.721 7.510) 8.591 3.837 ( 10.896 3.538 -9.727) 15.028 4.238 ( -1.790 6.292 -11.490) 13.221 4.746 ( -1.360 0.967 6.193) 6.414 4.974 ( 3.831 6.120 -4.385) 8.447 5.167 ( 5.368 1.119 6.302) 8.354 5.514 ( 4.754 16.496 -2.465) 17.344 5.732 ( -0.780 11.649 2.270) 11.894 5.901 ( -8.406 7.001 -2.489) 11.219 6.317 ( 13.491 13.763 18.565) 26.760 6.508 ( -0.470 -7.633 -0.428) 7.659 6.728 ( 6.134 -3.938 -1.145) 7.379 6.826 ( -6.539 1.313 -4.290) 7.930 7.188 ( -8.050 -7.271 3.080) 11.276 7.341 ( -9.035 -0.391 -5.099) 10.382 7.895 ( 6.125 -6.415 7.402) 11.552 8.053 ( 4.586 -4.911 3.555) 7.602 8.447 ( 0.980 -3.811 5.446) 6.719 8.643 ( 0.510 -0.985 10.034) 10.095 9.026 ( -1.994 0.438 -12.851) 13.012 9.337 ( -5.324 -4.886 -12.319) 14.282 10.043 ( -1.868 4.651 8.901) 10.216 10.369 ( 0.642 6.680 1.775) 6.942 10.745 ( -10.709 3.072 -9.120) 14.398 11.011 ( 1.401 0.200 -14.206) 14.277 11.630 ( 0.714 -2.687 6.281) 6.869 11.960 ( -3.457 -6.420 -8.022) 10.841 12.278 ( -12.405 3.007 2.526) 13.011 12.521 ( -9.016 -0.829 -7.716) 11.895 14.447 ( 19.618 -9.111 9.455) 23.607 14.731 ( 18.006 -14.892 -4.327) 23.764 16.727 ( -17.407 9.983 11.157) 22.960 17.137 ( -23.461 -3.871 -9.257) 25.517 18.896 ( 12.521 -2.789 8.727) 15.515 19.007 ( 10.929 -5.927 3.946) 13.044 19.886 ( 2.617 10.116 5.612) 11.861 20.142 ( 3.780 6.134 -4.384) 8.434 23.433 ( 1.960 -0.599 1.551) 2.570 23.502 ( 3.858 -1.460 -0.918) 4.226 23.704 ( -0.834 2.374 -1.755) 3.068 23.800 ( 0.288 1.422 -5.556) 5.743 25.030 ( 7.263 3.582 7.842) 11.273 25.173 ( 5.478 0.420 1.453) 5.683 25.817 ( -3.675 -0.314 5.721) 6.807 26.115 ( -5.249 -7.311 -8.221) 12.190 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 6.367 7.118 -2.974) 10.002 3.020 ( 6.636 0.441 -6.748) 9.474 3.505 ( -7.089 6.369 7.013) 11.832 3.555 ( 4.261 0.459 14.928) 15.531 4.014 ( 7.046 -5.369 -6.827) 11.184 4.277 ( 8.778 -7.780 -9.617) 15.168 4.783 ( 2.958 0.890 6.261) 6.981 5.022 ( -3.551 -1.361 -5.002) 6.284 5.284 ( 6.793 10.504 5.452) 13.646 5.418 ( -4.800 15.967 9.197) 19.042 5.732 ( -4.151 9.478 -3.876) 11.050 5.885 ( 4.512 10.222 -6.179) 12.768 6.458 ( -4.100 -5.061 4.736) 8.054 6.553 ( 2.939 -3.678 0.854) 4.785 6.754 ( 1.095 5.141 -0.227) 5.261 6.924 ( 8.818 3.195 -4.690) 10.486 7.030 ( -2.527 -4.516 5.876) 7.830 7.183 ( -2.652 0.996 -2.629) 3.864 7.884 ( -5.276 -15.714 6.221) 17.705 8.199 ( 5.895 -5.398 -0.707) 8.024 8.406 ( -4.441 -7.495 2.352) 9.024 8.679 ( 8.573 -1.504 0.051) 8.704 9.032 ( 4.350 -1.877 5.556) 7.302 9.416 ( 5.416 -0.137 -9.328) 10.787 9.957 ( -4.430 10.348 9.331) 14.621 10.364 ( -1.840 10.295 1.159) 10.522 10.501 ( -12.150 5.986 -12.182) 18.217 10.938 ( -10.575 1.074 -18.400) 21.250 11.648 ( 2.714 -4.899 4.237) 7.023 11.863 ( -3.991 -5.510 -3.173) 7.507 12.067 ( -7.599 2.779 2.268) 8.403 12.329 ( -9.398 -0.636 -7.926) 12.310 14.850 ( 18.308 -12.091 13.211) 25.610 15.135 ( 20.427 -14.321 1.227) 24.977 16.381 ( -16.356 3.041 2.706) 16.855 16.692 ( -19.026 -4.802 -11.350) 22.669 19.147 ( 11.436 -0.734 10.257) 15.379 19.233 ( 11.375 -1.746 8.659) 14.402 19.880 ( -3.346 10.601 5.435) 12.374 20.167 ( -1.454 9.028 -5.212) 10.525 23.466 ( 1.160 -0.934 1.975) 2.474 23.574 ( 3.083 -1.186 -1.074) 3.473 23.684 ( -1.037 0.937 -2.002) 2.442 23.813 ( 0.746 1.609 -6.127) 6.378 25.203 ( 9.106 1.809 6.482) 11.323 25.324 ( 9.097 -1.344 1.015) 9.251 25.725 ( -5.259 0.449 6.108) 8.072 25.981 ( -7.765 -5.752 -6.081) 11.417 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 10.385 10.152 2.517) 14.739 3.127 ( -0.228 6.646 2.211) 7.008 3.343 ( -3.932 12.092 -1.488) 12.802 3.498 ( -6.263 12.385 -1.403) 13.950 4.198 ( 8.239 -10.994 8.927) 16.384 4.520 ( 8.775 -9.880 1.189) 13.267 4.741 ( -3.156 0.041 -4.981) 5.897 4.904 ( -5.742 -3.401 -3.284) 7.438 5.388 ( 3.477 8.583 5.424) 10.732 5.426 ( 1.458 7.153 9.127) 11.688 5.726 ( 3.375 8.898 -2.285) 9.787 5.848 ( -5.828 7.064 -4.045) 10.011 6.369 ( -3.172 -0.585 4.372) 5.433 6.561 ( 0.607 0.007 -0.421) 0.739 6.734 ( -3.820 -1.663 -8.087) 9.097 6.789 ( -5.250 3.897 -7.703) 10.104 7.219 ( 4.967 -7.652 8.311) 12.340 7.361 ( 13.776 -0.061 9.220) 16.577 7.794 ( -1.744 -16.712 -8.606) 18.878 8.011 ( -13.020 -15.080 -13.254) 23.929 8.641 ( 16.815 6.845 13.614) 22.692 8.910 ( 8.948 1.009 6.302) 10.991 9.103 ( 0.335 -0.206 6.074) 6.086 9.364 ( -8.165 0.936 0.365) 8.227 9.955 ( 3.031 0.549 10.061) 10.522 10.224 ( -8.187 8.499 -6.569) 13.506 10.397 ( 2.416 12.536 -15.987) 20.460 10.644 ( -14.023 5.456 -18.554) 23.889 11.732 ( 3.660 -3.970 2.681) 6.029 11.839 ( 0.792 -1.172 3.764) 4.021 11.958 ( -2.622 -0.919 -3.856) 4.753 12.156 ( -6.345 -1.568 -7.520) 9.964 15.140 ( 8.345 -14.386 19.767) 25.833 15.533 ( 16.577 -10.068 12.177) 22.901 16.051 ( -14.781 -6.972 -10.148) 19.237 16.401 ( -8.045 -2.693 -16.289) 18.366 19.331 ( 5.407 1.154 12.349) 13.530 19.462 ( 9.451 4.128 15.421) 18.552 19.765 ( -6.506 7.265 1.054) 9.809 20.111 ( -2.578 9.682 -6.843) 12.133 23.481 ( 0.368 -1.072 2.112) 2.397 23.626 ( 2.001 -0.406 -0.740) 2.172 23.661 ( -1.308 -0.226 -2.437) 2.775 23.824 ( 0.297 1.551 -6.352) 6.545 25.380 ( 7.143 0.352 6.203) 9.467 25.526 ( 9.145 -3.340 -0.286) 9.740 25.608 ( -5.282 1.214 5.509) 7.728 25.806 ( -8.499 -3.425 -3.442) 9.789 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 0.000 3.386 -8.060) 8.742 2.575 ( 0.000 -2.081 -7.444) 7.729 3.131 ( 0.000 -1.760 -6.039) 6.290 3.167 ( 0.000 -6.191 -8.538) 10.547 4.119 ( 0.000 17.816 11.810) 21.375 4.432 ( 0.000 -1.472 2.905) 3.257 4.731 ( 0.000 -2.135 1.952) 2.893 4.907 ( 0.000 -7.606 0.089) 7.607 5.239 ( 0.000 4.085 -7.968) 8.954 5.249 ( 0.000 3.634 -10.738) 11.337 5.898 ( 0.000 1.953 -1.197) 2.290 6.016 ( 0.000 -7.092 -3.269) 7.809 6.521 ( 0.000 11.293 9.864) 14.994 6.528 ( 0.000 7.166 1.825) 7.395 6.734 ( 0.000 16.131 11.604) 19.871 7.000 ( 0.000 -3.272 2.327) 4.015 7.376 ( 0.000 -6.779 5.076) 8.469 7.441 ( 0.000 -8.207 4.738) 9.477 7.559 ( 0.000 -8.138 9.729) 12.684 7.582 ( 0.000 -4.142 3.298) 5.294 8.485 ( 0.000 3.015 1.963) 3.598 8.493 ( 0.000 1.852 5.743) 6.034 9.563 ( 0.000 13.860 -12.620) 18.745 9.714 ( 0.000 -5.322 -4.620) 7.048 9.914 ( 0.000 -0.217 4.037) 4.043 10.069 ( 0.000 -8.677 -11.084) 14.077 10.938 ( 0.000 -2.066 -0.699) 2.181 10.970 ( 0.000 -3.716 -1.504) 4.009 11.685 ( 0.000 7.189 -1.026) 7.261 11.812 ( 0.000 -4.713 -6.209) 7.795 12.641 ( 0.000 2.535 -2.819) 3.791 12.697 ( 0.000 -2.826 -4.716) 5.498 13.961 ( 0.000 3.289 2.768) 4.298 14.092 ( 0.000 -9.340 -3.979) 10.152 17.572 ( 0.000 14.043 13.810) 19.696 17.808 ( 0.000 -8.565 3.041) 9.089 18.470 ( 0.000 -0.225 1.708) 1.722 18.506 ( 0.000 -3.557 -0.271) 3.568 19.824 ( 0.000 4.519 -0.342) 4.531 19.915 ( 0.000 -4.101 -3.324) 5.279 23.372 ( 0.000 0.189 0.126) 0.227 23.380 ( 0.000 -0.496 -0.220) 0.542 23.792 ( 0.000 2.419 -2.671) 3.603 23.819 ( 0.000 -0.340 -3.913) 3.928 25.007 ( 0.000 5.708 9.381) 10.981 25.087 ( 0.000 -1.625 6.325) 6.530 25.918 ( 0.000 3.699 -1.759) 4.096 26.045 ( 0.000 -8.217 -6.878) 10.715 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 5.989 1.956 -7.443) 9.752 2.657 ( 7.271 -2.035 -6.880) 10.215 3.018 ( -2.346 -3.994 -0.377) 4.647 3.363 ( 10.225 -4.777 -10.844) 15.651 4.034 ( -3.924 10.968 10.434) 15.638 4.523 ( -1.562 13.116 -8.086) 15.487 4.709 ( 2.957 -8.405 10.743) 13.957 4.838 ( -3.444 -10.989 0.862) 11.548 5.213 ( 4.648 7.966 -5.052) 10.515 5.463 ( 11.079 3.132 -8.898) 14.551 5.864 ( -0.314 2.945 0.153) 2.966 6.071 ( 4.091 -5.077 -5.671) 8.641 6.437 ( -8.250 5.162 3.977) 10.513 6.530 ( -1.087 5.078 4.099) 6.616 6.749 ( 3.589 17.498 12.353) 21.718 6.995 ( -3.002 0.255 0.188) 3.018 7.289 ( -10.846 -2.024 0.792) 11.062 7.329 ( -3.650 -8.594 0.696) 9.363 7.606 ( 9.904 -9.301 12.797) 18.664 7.743 ( 6.391 -6.781 8.997) 12.953 8.478 ( 0.950 3.378 6.261) 7.177 8.593 ( 6.167 2.148 5.172) 8.330 9.293 ( -17.636 6.168 -9.713) 21.057 9.453 ( -19.560 -9.404 -8.984) 23.489 10.054 ( 10.557 7.881 0.888) 13.204 10.284 ( 12.336 -4.842 -9.012) 16.026 10.886 ( -5.141 -3.999 0.135) 6.515 10.967 ( 0.407 -0.007 -4.254) 4.274 11.658 ( -2.094 3.355 0.802) 4.036 11.867 ( 2.727 -3.291 -6.794) 8.026 12.559 ( -7.675 3.060 -2.449) 8.618 12.629 ( -6.186 -3.259 -5.038) 8.618 14.062 ( 9.653 1.702 3.654) 10.461 14.197 ( 10.170 -8.645 -3.053) 13.693 17.338 ( -19.287 11.147 9.405) 24.180 17.528 ( -22.001 -6.907 -0.008) 23.060 18.604 ( 11.161 -0.885 5.435) 12.446 18.673 ( 11.756 -2.840 2.616) 12.373 19.900 ( 6.694 3.241 1.207) 7.534 20.038 ( 9.824 -0.695 -4.134) 10.681 23.391 ( 1.653 0.147 0.407) 1.709 23.409 ( 2.685 -0.597 -0.256) 2.763 23.775 ( -1.535 1.647 -2.505) 3.367 23.818 ( -0.054 0.266 -4.417) 4.426 25.029 ( 2.241 5.065 8.766) 10.369 25.102 ( 1.622 -1.638 5.977) 6.406 25.897 ( -1.961 3.306 -1.093) 3.996 26.027 ( -1.804 -7.553 -6.463) 10.103 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 9.003 3.078 -7.481) 12.104 2.818 ( 8.078 -2.192 -8.147) 11.680 3.113 ( 12.171 -4.969 11.393) 17.396 3.524 ( 5.497 -5.427 -1.582) 7.885 4.008 ( 0.073 7.307 0.304) 7.314 4.351 ( -10.977 3.216 -6.329) 13.073 4.719 ( 0.931 -1.945 5.410) 5.824 4.936 ( 6.920 -3.044 -0.652) 7.588 5.363 ( 8.415 10.963 -1.006) 13.857 5.668 ( 8.749 -7.322 -0.901) 11.444 5.919 ( 3.242 15.920 -0.861) 16.270 6.110 ( -5.564 8.540 -2.730) 10.551 6.310 ( 2.334 -9.084 -1.386) 9.481 6.462 ( -4.900 -2.201 -0.142) 5.373 6.782 ( -7.756 1.739 3.661) 8.751 6.917 ( 4.919 8.993 3.505) 10.833 7.143 ( -4.020 4.268 1.849) 6.148 7.269 ( -1.667 -5.898 -4.381) 7.534 7.760 ( -0.678 -3.718 11.940) 12.524 7.884 ( 10.426 -10.713 10.499) 18.268 8.452 ( -5.070 5.218 6.394) 9.686 8.618 ( -6.645 -4.068 4.498) 8.997 9.029 ( -4.965 3.613 -5.478) 8.229 9.187 ( -0.700 -9.405 -6.624) 11.525 10.230 ( 5.459 10.657 -1.937) 12.130 10.491 ( 7.382 2.794 -6.620) 10.301 10.735 ( -9.601 -3.281 -0.804) 10.178 10.990 ( 1.183 -0.930 -7.991) 8.132 11.593 ( -3.785 -0.917 2.813) 4.805 11.857 ( -3.952 -2.972 -7.625) 9.088 12.358 ( -10.727 4.718 -1.063) 11.767 12.467 ( -9.090 -4.177 -5.326) 11.333 14.334 ( 15.892 -2.004 6.760) 17.386 14.498 ( 18.523 -6.928 -0.908) 19.797 16.886 ( -23.535 5.372 3.708) 24.424 17.048 ( -22.986 -4.017 -4.342) 23.735 18.863 ( 13.540 -0.692 8.561) 16.034 18.929 ( 13.288 -1.763 6.680) 14.977 20.031 ( 4.266 3.759 3.397) 6.623 20.228 ( 7.075 2.148 -4.598) 8.707 23.428 ( 1.662 -0.036 1.025) 1.953 23.479 ( 3.785 -0.669 -0.656) 3.899 23.737 ( -1.951 0.844 -1.985) 2.908 23.822 ( 0.530 0.639 -5.461) 5.524 25.106 ( 5.353 3.541 7.192) 9.639 25.163 ( 4.524 -1.648 5.048) 6.976 25.841 ( -3.468 2.716 0.362) 4.419 25.969 ( -3.875 -6.209 -5.148) 8.948 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 9.716 6.220 -4.548) 12.401 3.034 ( 12.129 0.089 -4.789) 13.040 3.430 ( 14.686 -4.510 14.707) 21.268 3.628 ( 5.414 0.420 14.362) 15.355 3.982 ( -2.392 1.502 -9.740) 10.141 4.171 ( -3.656 -2.964 -5.413) 7.173 4.794 ( 4.584 0.238 3.270) 5.636 4.993 ( -2.992 -0.780 -4.226) 5.236 5.518 ( 5.582 10.490 0.721) 11.905 5.748 ( -8.318 7.866 6.959) 13.397 5.837 ( 1.076 5.807 -0.845) 5.966 6.011 ( -7.183 1.108 -8.704) 11.340 6.334 ( -1.430 -4.469 3.489) 5.847 6.439 ( 4.004 -7.058 -4.309) 9.187 6.724 ( 2.321 -1.998 2.034) 3.676 6.982 ( -4.069 1.083 -3.437) 5.436 7.138 ( 5.662 10.790 2.352) 12.410 7.263 ( 0.861 1.386 -7.192) 7.374 7.637 ( -7.529 -4.504 7.902) 11.807 7.935 ( -11.000 -14.237 -4.450) 18.534 8.432 ( 11.427 5.797 8.745) 15.513 8.586 ( 8.594 -7.323 2.744) 11.619 9.051 ( 3.385 4.518 9.803) 11.312 9.317 ( 8.087 -7.312 -1.863) 11.060 10.243 ( -5.702 15.128 3.025) 16.447 10.478 ( -11.249 -4.681 2.379) 12.414 10.598 ( 0.959 6.132 -14.949) 16.186 10.943 ( -7.494 -0.719 -13.162) 15.163 11.563 ( 2.203 -2.672 3.590) 4.988 11.767 ( -1.977 -2.868 -6.010) 6.946 12.152 ( -9.270 5.208 -0.319) 10.638 12.271 ( -9.754 -4.690 -5.310) 12.056 14.670 ( 15.745 -4.731 12.875) 20.882 14.926 ( 22.312 -5.529 2.112) 23.083 16.398 ( -23.622 -0.360 -1.002) 23.646 16.626 ( -17.610 -1.570 -10.990) 20.817 19.141 ( 12.954 -0.011 11.232) 17.145 19.223 ( 15.171 0.087 10.264) 18.317 20.034 ( -4.211 4.015 4.606) 7.420 20.296 ( -0.339 3.351 -5.336) 6.310 23.455 ( 0.983 -0.192 1.456) 1.768 23.553 ( 3.278 -0.647 -1.765) 3.778 23.699 ( -1.704 0.417 -0.921) 1.982 23.836 ( 0.677 0.624 -6.178) 6.247 25.245 ( 7.809 2.143 5.357) 9.709 25.290 ( 7.705 -1.911 3.610) 8.721 25.754 ( -4.983 2.288 1.866) 5.792 25.868 ( -5.923 -4.674 -3.091) 8.154 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 9.046 5.707 3.735) 11.329 3.234 ( 4.960 3.320 3.855) 7.106 3.532 ( -2.337 5.456 3.353) 6.817 3.717 ( 0.415 7.068 -1.490) 7.235 4.005 ( 5.233 -6.013 7.858) 11.193 4.321 ( 16.475 -7.449 4.059) 18.531 4.754 ( -15.415 0.757 -4.558) 16.092 4.845 ( -2.904 -1.862 -2.072) 4.024 5.558 ( -1.127 6.610 4.729) 8.205 5.579 ( -4.265 5.534 5.033) 8.610 5.860 ( 0.737 1.983 -3.650) 4.219 5.918 ( -1.715 1.275 -7.178) 7.490 6.378 ( 5.434 1.848 1.639) 5.969 6.532 ( 4.763 -3.599 -3.221) 6.783 6.686 ( -7.108 -0.612 1.696) 7.334 6.855 ( -5.461 1.470 -6.810) 8.852 7.186 ( -0.272 4.669 0.571) 4.711 7.365 ( 7.697 -5.065 -6.375) 11.205 7.522 ( -5.909 -2.375 -0.871) 6.428 7.707 ( -5.717 -13.622 -8.509) 17.049 8.770 ( 16.191 3.790 10.533) 19.684 8.931 ( 20.296 0.819 3.335) 20.585 9.058 ( -3.177 -0.855 12.681) 13.100 9.364 ( -6.799 -1.889 1.149) 7.150 10.002 ( -10.835 2.777 14.372) 18.212 10.341 ( -2.792 2.973 -1.849) 4.478 10.605 ( 0.296 6.180 -17.295) 18.369 10.741 ( -8.336 2.860 -19.707) 21.588 11.656 ( 4.672 -2.630 4.735) 7.153 11.822 ( 6.154 -0.393 -2.394) 6.615 11.976 ( -7.570 2.781 -2.483) 8.439 12.085 ( -7.168 -4.708 -5.673) 10.282 14.924 ( 7.397 -5.812 20.442) 22.503 15.381 ( 20.563 -4.133 10.286) 23.360 15.932 ( -20.659 -3.491 -9.690) 23.084 16.356 ( -7.546 -1.357 -18.840) 20.340 19.355 ( 6.412 0.807 14.453) 15.832 19.529 ( 13.160 1.908 15.679) 20.559 19.877 ( -9.578 3.057 1.557) 10.173 20.252 ( -2.397 3.693 -7.320) 8.543 23.469 ( 0.321 -0.259 1.607) 1.659 23.608 ( 1.886 -0.686 -4.218) 4.671 23.667 ( -1.307 0.313 1.467) 1.989 23.846 ( 0.248 0.568 -6.412) 6.441 25.400 ( 6.090 1.623 3.870) 7.396 25.457 ( 7.398 -3.026 1.559) 8.144 25.641 ( -5.496 1.692 3.282) 6.621 25.739 ( -5.574 -2.616 -0.760) 6.205 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.797 ( 0.000 0.000 -18.583) 18.583 2.797 ( 0.000 0.000 18.583) 18.583 3.105 ( 0.000 0.000 -11.614) 11.614 3.105 ( 0.000 0.000 11.614) 11.614 4.058 ( 0.000 0.000 -13.353) 13.353 4.058 ( 0.000 0.000 13.353) 13.353 4.069 ( 0.000 0.000 -19.364) 19.364 4.069 ( 0.000 0.000 19.364) 19.364 5.495 ( 0.000 0.000 -8.674) 8.674 5.495 ( 0.000 0.000 8.674) 8.674 5.730 ( 0.000 0.000 -9.195) 9.195 5.730 ( 0.000 0.000 9.195) 9.195 6.504 ( 0.000 0.000 -23.743) 23.743 6.504 ( 0.000 0.000 23.743) 23.743 6.968 ( 0.000 0.000 -3.633) 3.633 6.968 ( 0.000 0.000 3.633) 3.633 7.312 ( 0.000 0.000 -4.443) 4.443 7.312 ( 0.000 0.000 4.443) 4.443 7.801 ( 0.000 0.000 -6.293) 6.293 7.801 ( 0.000 0.000 6.293) 6.293 8.514 ( 0.000 0.000 -6.859) 6.859 8.514 ( 0.000 0.000 6.859) 6.859 9.255 ( 0.000 0.000 -24.341) 24.341 9.255 ( 0.000 0.000 24.341) 24.341 10.413 ( 0.000 0.000 -1.984) 1.984 10.413 ( 0.000 0.000 1.984) 1.984 11.063 ( 0.000 0.000 -0.847) 0.847 11.063 ( 0.000 0.000 0.847) 0.847 11.589 ( 0.000 0.000 -8.068) 8.068 11.589 ( 0.000 0.000 8.068) 8.068 12.681 ( 0.000 0.000 -6.664) 6.664 12.681 ( 0.000 0.000 6.664) 6.664 14.433 ( 0.000 0.000 -12.926) 12.926 14.433 ( 0.000 0.000 12.926) 12.926 17.359 ( 0.000 0.000 -24.690) 24.690 17.359 ( 0.000 0.000 24.690) 24.690 18.701 ( 0.000 0.000 -2.696) 2.696 18.701 ( 0.000 0.000 2.696) 2.696 19.921 ( 0.000 0.000 -9.009) 9.009 19.921 ( 0.000 0.000 9.009) 9.009 23.397 ( 0.000 0.000 -0.474) 0.474 23.397 ( 0.000 0.000 0.474) 0.474 23.673 ( 0.000 0.000 -4.916) 4.916 23.673 ( 0.000 0.000 4.916) 4.916 24.889 ( 0.000 0.000 -6.817) 6.817 24.889 ( 0.000 0.000 6.817) 6.817 26.176 ( 0.000 0.000 -12.855) 12.855 26.176 ( 0.000 0.000 12.855) 12.855 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -6.093 0.000 -14.349) 15.589 3.034 ( -6.093 0.000 14.349) 15.589 3.059 ( 21.980 0.000 -14.888) 26.548 3.059 ( 21.980 0.000 14.888) 26.548 4.029 ( -1.771 0.000 -11.744) 11.877 4.029 ( -1.771 0.000 11.744) 11.877 4.210 ( 12.583 0.000 -18.242) 22.161 4.210 ( 12.583 0.000 18.242) 22.161 5.458 ( -3.116 0.000 -11.443) 11.860 5.458 ( -3.116 0.000 11.443) 11.860 5.605 ( -10.806 0.000 -9.487) 14.379 5.605 ( -10.806 0.000 9.487) 14.379 6.488 ( -0.837 0.000 -24.664) 24.678 6.488 ( -0.837 0.000 24.664) 24.678 6.997 ( 2.251 0.000 -11.663) 11.878 6.997 ( 2.251 0.000 11.663) 11.878 7.311 ( -2.875 0.000 -5.938) 6.598 7.311 ( -2.875 0.000 5.938) 6.598 7.835 ( 5.440 0.000 -9.734) 11.151 7.835 ( 5.440 0.000 9.734) 11.151 8.576 ( 5.990 0.000 -7.977) 9.976 8.576 ( 5.990 0.000 7.977) 9.976 9.177 ( -7.149 0.000 -22.744) 23.841 9.177 ( -7.149 0.000 22.744) 23.841 10.477 ( 5.259 0.000 -10.130) 11.414 10.477 ( 5.259 0.000 10.130) 11.414 10.762 ( -21.650 0.000 -15.093) 26.391 10.762 ( -21.650 0.000 15.093) 26.391 11.782 ( 11.449 0.000 -15.290) 19.101 11.782 ( 11.449 0.000 15.290) 19.101 12.582 ( -9.391 0.000 -7.118) 11.783 12.582 ( -9.391 0.000 7.118) 11.783 14.589 ( 14.601 0.000 -12.286) 19.082 14.589 ( 14.601 0.000 12.286) 19.082 17.166 ( -15.699 0.000 -23.551) 28.304 17.166 ( -15.699 0.000 23.551) 28.304 18.890 ( 15.145 0.000 -5.619) 16.154 18.890 ( 15.145 0.000 5.619) 16.154 19.864 ( -5.079 0.000 -10.581) 11.737 19.864 ( -5.079 0.000 10.581) 11.737 23.433 ( 3.261 0.000 -1.420) 3.557 23.433 ( 3.261 0.000 1.420) 3.557 23.666 ( -0.576 0.000 -4.831) 4.865 23.666 ( -0.576 0.000 4.831) 4.865 24.939 ( 4.750 0.000 -6.394) 7.966 24.939 ( 4.750 0.000 6.394) 7.966 26.149 ( -2.637 0.000 -12.632) 12.904 26.149 ( -2.637 0.000 12.632) 12.904 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -6.537 0.000 -15.217) 16.562 2.896 ( -6.537 0.000 15.217) 16.562 3.420 ( 5.254 0.000 -8.141) 9.689 3.420 ( 5.254 0.000 8.141) 9.689 4.108 ( 13.169 0.000 -6.913) 14.873 4.108 ( 13.169 0.000 6.913) 14.873 4.528 ( 16.875 0.000 -15.342) 22.806 4.528 ( 16.875 0.000 15.342) 22.806 5.358 ( -11.471 0.000 -9.729) 15.042 5.358 ( -11.471 0.000 9.729) 15.042 5.410 ( -0.064 0.000 -12.649) 12.649 5.410 ( -0.064 0.000 12.649) 12.649 6.500 ( 2.199 0.000 -19.676) 19.798 6.500 ( 2.199 0.000 19.676) 19.798 7.046 ( 3.111 0.000 -18.167) 18.431 7.046 ( 3.111 0.000 18.167) 18.431 7.139 ( -12.732 0.000 -3.918) 13.321 7.139 ( -12.732 0.000 3.918) 13.321 8.051 ( 14.046 0.000 -9.203) 16.792 8.051 ( 14.046 0.000 9.203) 16.792 8.754 ( 11.022 0.000 -10.301) 15.087 8.754 ( 11.022 0.000 10.301) 15.087 8.983 ( -11.302 0.000 -18.854) 21.982 8.983 ( -11.302 0.000 18.854) 21.982 10.314 ( -20.790 0.000 -16.152) 26.327 10.314 ( -20.790 0.000 16.152) 26.327 10.570 ( 2.264 0.000 -16.441) 16.596 10.570 ( 2.264 0.000 16.441) 16.596 11.947 ( 4.458 0.000 -12.740) 13.497 11.947 ( 4.458 0.000 12.740) 13.497 12.325 ( -14.425 0.000 -8.678) 16.834 12.325 ( -14.425 0.000 8.678) 16.834 14.988 ( 22.775 0.000 -11.713) 25.611 14.988 ( 22.775 0.000 11.713) 25.611 16.823 ( -16.302 0.000 -21.757) 27.186 16.823 ( -16.302 0.000 21.757) 27.186 19.204 ( 13.741 0.000 -6.773) 15.319 19.204 ( 13.741 0.000 6.773) 15.319 19.739 ( -6.334 0.000 -12.895) 14.367 19.739 ( -6.334 0.000 12.895) 14.367 23.512 ( 3.954 0.000 -3.021) 4.975 23.512 ( 3.954 0.000 3.021) 4.975 23.654 ( -0.492 0.000 -4.745) 4.770 23.654 ( -0.492 0.000 4.745) 4.771 25.079 ( 8.694 0.000 -5.451) 10.262 25.079 ( 8.694 0.000 5.451) 10.262 26.068 ( -5.212 0.000 -11.854) 12.949 26.068 ( -5.212 0.000 11.854) 12.949 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -2.524 0.000 -12.132) 12.392 2.795 ( -2.524 0.000 12.132) 12.392 3.295 ( -12.723 0.000 -8.916) 15.537 3.295 ( -12.723 0.000 8.916) 15.537 4.432 ( 13.376 0.000 -8.116) 15.646 4.432 ( 13.376 0.000 8.116) 15.646 4.800 ( 5.499 0.000 -8.974) 10.525 4.800 ( 5.499 0.000 8.974) 10.525 5.235 ( 3.124 0.000 -5.825) 6.610 5.235 ( 3.124 0.000 5.825) 6.610 5.486 ( 6.382 0.000 -6.371) 9.018 5.486 ( 6.382 0.000 6.371) 9.018 6.538 ( -0.123 0.000 -5.903) 5.904 6.538 ( -0.123 0.000 5.903) 5.904 6.850 ( -14.150 0.000 -5.001) 15.008 6.850 ( -14.150 0.000 5.001) 15.008 7.207 ( 14.956 0.000 -24.752) 28.920 7.207 ( 14.956 0.000 24.752) 28.920 8.322 ( 8.194 0.000 -5.241) 9.727 8.322 ( 8.194 0.000 5.241) 9.727 8.747 ( -8.565 0.000 -13.398) 15.902 8.747 ( -8.565 0.000 13.398) 15.902 8.993 ( 10.435 0.000 -12.674) 16.418 8.993 ( 10.435 0.000 12.674) 16.418 9.952 ( -12.927 0.000 -13.334) 18.572 9.952 ( -12.927 0.000 13.334) 18.572 10.509 ( -9.180 0.000 -19.043) 21.140 10.509 ( -9.180 0.000 19.043) 21.140 11.983 ( -0.399 0.000 -8.565) 8.575 11.983 ( -0.399 0.000 8.565) 8.575 12.058 ( -9.896 0.000 -9.724) 13.874 12.058 ( -9.896 0.000 9.724) 13.874 15.466 ( 22.712 0.000 -12.020) 25.696 15.466 ( 22.712 0.000 12.020) 25.696 16.514 ( -14.071 0.000 -19.149) 23.763 16.514 ( -14.071 0.000 19.149) 23.763 19.422 ( 7.434 0.000 -7.057) 10.250 19.422 ( 7.434 0.000 7.057) 10.250 19.627 ( -4.275 0.000 -13.090) 13.770 19.627 ( -4.275 0.000 13.090) 13.770 23.582 ( 2.731 0.000 -4.137) 4.958 23.582 ( 2.731 0.000 4.137) 4.958 23.647 ( -0.266 0.000 -4.777) 4.784 23.647 ( -0.266 0.000 4.777) 4.784 25.286 ( 11.179 0.000 -5.100) 12.287 25.286 ( 11.179 0.000 5.100) 12.287 25.934 ( -7.782 0.000 -10.388) 12.980 25.934 ( -7.782 0.000 10.388) 12.980 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 5.416 0.000 -8.276) 9.891 2.820 ( 5.416 0.000 8.276) 9.891 3.014 ( -12.803 0.000 -8.234) 15.222 3.014 ( -12.803 0.000 8.234) 15.222 4.630 ( 7.159 0.000 -10.254) 12.506 4.630 ( 7.159 0.000 10.254) 12.506 4.759 ( -5.587 0.000 -8.756) 10.386 4.759 ( -5.587 0.000 8.756) 10.386 5.440 ( 11.453 0.000 -4.560) 12.328 5.440 ( 11.453 0.000 4.560) 12.328 5.573 ( -0.281 0.000 -4.360) 4.369 5.573 ( -0.281 0.000 4.360) 4.369 6.512 ( -0.121 0.000 -7.430) 7.431 6.512 ( -0.121 0.000 7.430) 7.431 6.602 ( -9.039 0.000 -8.100) 12.137 6.602 ( -9.039 0.000 8.100) 12.137 7.651 ( 25.711 0.000 -22.002) 33.840 7.651 ( 25.711 0.000 22.002) 33.840 8.152 ( -20.742 0.000 -19.056) 28.167 8.152 ( -20.742 0.000 19.056) 28.167 8.835 ( 12.617 0.000 -18.009) 21.989 8.835 ( 12.617 0.000 18.009) 21.989 9.059 ( -5.891 0.000 -15.211) 16.312 9.059 ( -5.891 0.000 15.211) 16.312 9.895 ( 8.981 0.000 -6.844) 11.292 9.895 ( 8.981 0.000 6.844) 11.292 10.211 ( -17.921 0.000 -15.489) 23.687 10.211 ( -17.921 0.000 15.489) 23.687 11.946 ( -1.541 0.000 -7.259) 7.421 11.946 ( -1.541 0.000 7.259) 7.421 11.956 ( -1.611 0.000 -5.795) 6.015 11.956 ( -1.611 0.000 5.795) 6.015 15.891 ( 18.395 0.000 -13.230) 22.658 15.891 ( 18.395 0.000 13.230) 22.658 16.226 ( -14.610 0.000 -15.898) 21.592 16.226 ( -14.610 0.000 15.898) 21.592 19.521 ( 2.810 0.000 -8.308) 8.770 19.521 ( 2.810 0.000 8.308) 8.770 19.565 ( -2.081 0.000 -10.937) 11.133 19.565 ( -2.081 0.000 10.937) 11.133 23.623 ( 1.310 0.000 -4.638) 4.819 23.623 ( 1.310 0.000 4.638) 4.819 23.640 ( -0.478 0.000 -4.788) 4.812 23.640 ( -0.478 0.000 4.788) 4.812 25.523 ( 11.609 0.000 -6.298) 13.207 25.523 ( 11.609 0.000 6.298) 13.207 25.749 ( -10.168 0.000 -8.370) 13.170 25.749 ( -10.168 0.000 8.370) 13.170 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 0.000 -8.140 -12.579) 14.984 2.675 ( 0.000 -8.140 12.579) 14.984 3.214 ( 0.000 4.769 -13.871) 14.668 3.214 ( 0.000 4.769 13.871) 14.668 3.855 ( 0.000 -2.396 -0.901) 2.559 3.855 ( 0.000 -2.396 0.901) 2.559 4.448 ( 0.000 20.736 -1.662) 20.802 4.448 ( 0.000 20.736 1.662) 20.802 5.402 ( 0.000 -8.455 -5.181) 9.916 5.402 ( 0.000 -8.455 5.181) 9.916 5.797 ( 0.000 6.016 -9.806) 11.504 5.797 ( 0.000 6.016 9.806) 11.504 6.573 ( 0.000 6.172 -25.965) 26.689 6.573 ( 0.000 6.172 25.965) 26.689 6.771 ( 0.000 -12.991 -1.711) 13.103 6.771 ( 0.000 -12.991 1.711) 13.103 7.473 ( 0.000 9.276 -3.342) 9.860 7.473 ( 0.000 9.276 3.342) 9.860 7.769 ( 0.000 -2.587 -1.268) 2.881 7.769 ( 0.000 -2.587 1.268) 2.881 8.484 ( 0.000 -2.342 -6.156) 6.586 8.484 ( 0.000 -2.342 6.156) 6.586 9.320 ( 0.000 6.008 -25.020) 25.731 9.320 ( 0.000 6.008 25.020) 25.731 10.307 ( 0.000 -9.414 -1.308) 9.504 10.307 ( 0.000 -9.414 1.308) 9.504 11.081 ( 0.000 0.521 -0.403) 0.659 11.081 ( 0.000 0.521 0.403) 0.659 11.600 ( 0.000 1.427 -9.460) 9.567 11.600 ( 0.000 1.427 9.460) 9.567 12.674 ( 0.000 -0.715 -6.167) 6.208 12.674 ( 0.000 -0.715 6.167) 6.208 14.334 ( 0.000 -8.634 -12.294) 15.023 14.334 ( 0.000 -8.634 12.294) 15.023 17.454 ( 0.000 8.358 -22.997) 24.469 17.454 ( 0.000 8.358 22.997) 24.469 18.659 ( 0.000 -3.799 -2.526) 4.562 18.659 ( 0.000 -3.799 2.526) 4.562 19.905 ( 0.000 -1.392 -8.816) 8.926 19.905 ( 0.000 -1.392 8.816) 8.926 23.392 ( 0.000 -0.434 -0.544) 0.696 23.392 ( 0.000 -0.434 0.544) 0.696 23.695 ( 0.000 1.947 -4.097) 4.537 23.695 ( 0.000 1.947 4.097) 4.537 24.929 ( 0.000 3.796 -6.528) 7.552 24.929 ( 0.000 3.796 6.528) 7.552 26.136 ( 0.000 -3.780 -11.965) 12.548 26.136 ( 0.000 -3.780 11.965) 12.548 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 6.524 -10.827 -10.672) 16.543 2.798 ( 6.524 -10.827 10.672) 16.543 3.270 ( 9.142 6.365 -15.737) 19.281 3.270 ( 9.142 6.365 15.737) 19.281 3.880 ( 1.361 -2.942 -9.000) 9.566 3.880 ( 1.361 -2.942 9.000) 9.566 4.519 ( 7.268 19.735 -8.359) 22.631 4.519 ( 7.268 19.735 8.359) 22.631 5.342 ( -4.759 -7.894 -6.441) 11.245 5.342 ( -4.759 -7.894 6.441) 11.245 5.735 ( -5.738 9.179 -8.535) 13.784 5.735 ( -5.738 9.179 8.535) 13.784 6.539 ( -2.134 4.418 -24.384) 24.872 6.539 ( -2.134 4.418 24.384) 24.872 6.800 ( 2.167 -12.707 -3.516) 13.362 6.800 ( 2.167 -12.707 3.516) 13.362 7.438 ( -5.324 5.862 -3.555) 8.680 7.438 ( -5.324 5.862 3.555) 8.680 7.833 ( 7.639 0.264 -5.837) 9.618 7.833 ( 7.639 0.264 5.837) 9.618 8.545 ( 5.566 -2.251 -7.856) 9.887 8.545 ( 5.566 -2.251 7.856) 9.887 9.222 ( -8.580 3.833 -23.131) 24.968 9.222 ( -8.580 3.833 23.131) 24.968 10.351 ( 2.293 -9.447 -7.402) 12.218 10.351 ( 2.293 -9.447 7.402) 12.218 10.850 ( -15.304 5.654 -9.877) 19.072 10.850 ( -15.304 5.654 9.877) 19.072 11.765 ( 9.838 -1.428 -14.034) 17.198 11.765 ( 9.838 -1.428 14.034) 17.198 12.581 ( -8.723 -0.163 -6.606) 10.943 12.581 ( -8.723 -0.163 6.606) 10.943 14.480 ( 13.755 -9.490 -11.505) 20.288 14.480 ( 13.755 -9.490 11.505) 20.288 17.247 ( -16.830 6.930 -21.142) 27.897 17.247 ( -16.830 6.930 21.142) 27.897 18.837 ( 13.931 -4.531 -4.973) 15.470 18.837 ( 13.931 -4.531 4.973) 15.470 19.886 ( -1.613 1.885 -9.633) 9.947 19.886 ( -1.613 1.885 9.633) 9.947 23.425 ( 2.969 -0.694 -1.272) 3.304 23.425 ( 2.969 -0.694 1.272) 3.304 23.688 ( -0.599 1.887 -3.969) 4.436 23.688 ( -0.599 1.887 3.969) 4.436 24.973 ( 4.170 3.199 -6.099) 8.051 24.973 ( 4.170 3.199 6.099) 8.051 26.110 ( -2.470 -3.612 -11.733) 12.523 26.110 ( -2.470 -3.612 11.733) 12.523 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -2.300 -5.615 -12.511) 13.905 2.816 ( -2.300 -5.615 12.511) 13.905 3.541 ( 6.913 7.634 -8.116) 13.113 3.541 ( 6.913 7.634 8.116) 13.113 3.943 ( 9.927 -8.922 -11.204) 17.426 3.943 ( 9.927 -8.922 11.204) 17.426 4.724 ( 10.941 12.448 -9.556) 19.130 4.724 ( 10.941 12.448 9.556) 19.130 5.269 ( -1.412 -1.766 -5.259) 5.725 5.269 ( -1.412 -1.766 5.259) 5.725 5.594 ( -6.266 11.608 -9.270) 16.123 5.594 ( -6.266 11.608 9.270) 16.123 6.541 ( 2.709 3.474 -18.498) 19.016 6.541 ( 2.709 3.474 18.498) 19.016 6.828 ( 0.216 -12.394 -7.293) 14.382 6.828 ( 0.216 -12.394 7.293) 14.382 7.261 ( -10.025 3.796 -3.241) 11.199 7.261 ( -10.025 3.796 3.241) 11.199 8.066 ( 13.577 0.601 -7.597) 15.570 8.066 ( 13.577 0.601 7.597) 15.570 8.661 ( 2.324 -5.756 -10.992) 12.624 8.661 ( 2.324 -5.756 10.992) 12.624 9.046 ( -4.739 3.318 -17.165) 18.114 9.046 ( -4.739 3.318 17.165) 18.114 10.267 ( -11.487 -2.934 -12.612) 17.310 10.267 ( -11.487 -2.934 12.612) 17.310 10.650 ( -3.697 6.274 -13.226) 15.098 10.650 ( -3.697 6.274 13.226) 15.098 11.894 ( 2.320 -4.677 -11.470) 12.603 11.894 ( 2.320 -4.677 11.470) 12.603 12.350 ( -12.465 1.879 -8.276) 15.080 12.350 ( -12.465 1.879 8.276) 15.080 14.860 ( 21.946 -11.136 -10.373) 26.707 14.860 ( 21.946 -11.136 10.373) 26.707 16.875 ( -18.103 4.022 -18.237) 26.010 16.875 ( -18.103 4.022 18.237) 26.010 19.119 ( 12.275 -6.177 -5.257) 14.713 19.119 ( 12.275 -6.177 5.257) 14.713 19.848 ( -2.040 8.513 -10.484) 13.658 19.848 ( -2.040 8.513 10.484) 13.658 23.496 ( 3.483 -1.291 -2.593) 4.530 23.496 ( 3.483 -1.291 2.593) 4.530 23.677 ( -0.337 1.863 -3.814) 4.258 23.677 ( -0.337 1.863 3.814) 4.258 25.098 ( 7.918 1.831 -5.118) 9.604 25.098 ( 7.918 1.831 5.118) 9.604 26.035 ( -4.863 -3.094 -10.953) 12.377 26.035 ( -4.863 -3.094 10.953) 12.377 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 1.147 0.745 -11.277) 11.360 2.792 ( 1.147 0.745 11.277) 11.360 3.428 ( -12.712 11.144 -7.326) 18.424 3.428 ( -12.712 11.144 7.326) 18.424 4.275 ( 16.627 -11.910 -8.891) 22.301 4.275 ( 16.627 -11.910 8.891) 22.301 4.883 ( 1.891 4.052 -6.870) 8.197 4.883 ( 1.891 4.052 6.870) 8.197 5.265 ( 2.879 5.215 -4.346) 7.374 5.265 ( 2.879 5.215 4.346) 7.374 5.577 ( 4.186 7.341 -6.349) 10.570 5.577 ( 4.186 7.341 6.349) 10.570 6.572 ( -2.100 2.511 -5.479) 6.382 6.572 ( -2.100 2.511 5.479) 6.382 6.793 ( -6.051 -4.270 -8.195) 11.046 6.793 ( -6.051 -4.270 8.195) 11.046 7.191 ( 9.135 -1.694 -14.352) 17.097 7.191 ( 9.135 -1.694 14.352) 17.097 8.294 ( 1.651 -6.175 -7.333) 9.728 8.294 ( 1.651 -6.175 7.333) 9.728 8.585 ( -0.274 -6.181 -10.172) 11.906 8.585 ( -0.274 -6.181 10.172) 11.906 9.131 ( 8.700 6.612 -11.146) 15.609 9.131 ( 8.700 6.612 11.146) 15.609 10.004 ( -11.315 5.424 -13.396) 18.354 10.004 ( -11.315 5.424 13.396) 18.354 10.539 ( -9.856 2.800 -17.869) 20.598 10.539 ( -9.856 2.800 17.869) 20.598 11.886 ( -1.634 -6.330 -7.647) 10.061 11.886 ( -1.634 -6.330 7.647) 10.061 12.129 ( -8.242 3.742 -8.963) 12.738 12.129 ( -8.242 3.742 8.963) 12.738 15.328 ( 22.592 -12.009 -10.166) 27.531 15.328 ( 22.592 -12.009 10.166) 27.531 16.522 ( -16.303 0.097 -14.788) 22.011 16.522 ( -16.303 0.097 14.788) 22.011 19.333 ( 8.860 -4.412 -4.525) 10.883 19.333 ( 8.860 -4.412 4.525) 10.883 19.795 ( -3.383 11.636 -10.184) 15.829 19.795 ( -3.383 11.636 10.184) 15.829 23.555 ( 2.118 -1.910 -3.811) 4.760 23.555 ( 2.118 -1.910 3.811) 4.760 23.675 ( 0.174 2.017 -4.108) 4.580 23.675 ( 0.174 2.017 4.108) 4.580 25.290 ( 10.456 0.373 -4.649) 11.449 25.290 ( 10.456 0.373 4.649) 11.449 25.910 ( -7.256 -2.231 -9.526) 12.181 25.910 ( -7.256 -2.231 9.526) 12.181 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 8.488 6.850 -8.580) 13.877 2.890 ( 8.488 6.850 8.580) 13.877 3.137 ( -14.053 10.747 -7.406) 19.179 3.137 ( -14.053 10.747 7.406) 19.179 4.559 ( 11.401 -6.290 -10.318) 16.613 4.559 ( 11.401 -6.290 10.318) 16.613 4.780 ( -8.980 1.040 -8.960) 12.728 4.780 ( -8.980 1.040 8.960) 12.728 5.438 ( 10.030 1.819 -6.156) 11.908 5.438 ( 10.030 1.819 6.156) 11.908 5.634 ( -0.707 4.358 -5.832) 7.315 5.634 ( -0.707 4.358 5.832) 7.315 6.511 ( -1.298 -0.413 -7.548) 7.670 6.511 ( -1.298 -0.413 7.548) 7.670 6.618 ( -7.675 1.765 -4.835) 9.241 6.618 ( -7.675 1.765 4.835) 9.241 7.571 ( 22.697 -7.276 -11.814) 26.602 7.571 ( 22.697 -7.276 11.814) 26.602 8.036 ( -19.384 -10.523 -11.372) 24.815 8.036 ( -19.384 -10.523 11.372) 24.815 8.812 ( 13.893 0.934 -13.201) 19.187 8.812 ( 13.893 0.934 13.201) 19.187 9.194 ( -4.718 7.680 -14.805) 17.333 9.194 ( -4.718 7.680 14.805) 17.333 9.933 ( 6.504 4.955 -5.247) 9.715 9.933 ( 6.504 4.955 5.247) 9.715 10.248 ( -16.137 3.228 -14.122) 21.685 10.248 ( -16.137 3.228 14.122) 21.685 11.881 ( 1.218 -3.573 -5.054) 6.308 11.881 ( 1.218 -3.573 5.054) 6.308 12.003 ( -4.113 1.751 -7.179) 8.457 12.003 ( -4.113 1.751 7.179) 8.457 15.750 ( 17.102 -12.071 -12.528) 24.395 15.750 ( 17.102 -12.071 12.528) 24.395 16.202 ( -14.279 -2.954 -12.622) 19.286 16.202 ( -14.279 -2.954 12.622) 19.286 19.489 ( 5.760 0.480 -6.232) 8.500 19.489 ( 5.760 0.480 6.232) 8.500 19.711 ( -4.129 9.701 -11.288) 15.446 19.711 ( -4.129 9.701 11.288) 15.446 23.582 ( 0.623 -2.210 -4.607) 5.148 23.582 ( 0.623 -2.210 4.607) 5.148 23.680 ( 0.157 2.108 -4.638) 5.097 23.680 ( 0.157 2.108 4.638) 5.097 25.511 ( 10.428 -1.189 -5.717) 11.952 25.511 ( 10.428 -1.189 5.717) 11.952 25.740 ( -9.024 -0.867 -7.589) 11.823 25.740 ( -9.024 -0.867 7.589) 11.823 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.000 -5.349 -6.775) 8.632 2.532 ( 0.000 -5.349 6.775) 8.632 3.187 ( 0.000 -5.874 -5.484) 8.036 3.187 ( 0.000 -5.874 5.484) 8.036 4.002 ( 0.000 14.691 -8.992) 17.225 4.002 ( 0.000 14.691 8.992) 17.225 4.856 ( 0.000 17.637 -0.572) 17.647 4.856 ( 0.000 17.637 0.572) 17.647 5.177 ( 0.000 -13.087 -0.667) 13.104 5.177 ( 0.000 -13.087 0.667) 13.104 5.921 ( 0.000 4.013 -7.159) 8.208 5.921 ( 0.000 4.013 7.159) 8.208 6.550 ( 0.000 -4.834 -2.140) 5.286 6.550 ( 0.000 -4.834 2.140) 5.286 6.760 ( 0.000 10.148 -18.722) 21.296 6.760 ( 0.000 10.148 18.722) 21.296 7.535 ( 0.000 -3.501 -1.160) 3.688 7.535 ( 0.000 -3.501 1.160) 3.688 7.738 ( 0.000 -1.181 -6.813) 6.915 7.738 ( 0.000 -1.181 6.813) 6.915 8.464 ( 0.000 1.585 -4.437) 4.711 8.464 ( 0.000 1.585 4.437) 4.711 9.462 ( 0.000 6.371 -22.817) 23.690 9.462 ( 0.000 6.371 22.817) 23.690 10.087 ( 0.000 -10.274 -0.175) 10.275 10.087 ( 0.000 -10.274 0.175) 10.275 11.041 ( 0.000 -4.526 -0.154) 4.528 11.041 ( 0.000 -4.526 0.154) 4.528 11.656 ( 0.000 3.728 -9.120) 9.853 11.656 ( 0.000 3.728 9.120) 9.853 12.653 ( 0.000 -1.267 -4.550) 4.723 12.653 ( 0.000 -1.267 4.550) 4.723 14.145 ( 0.000 -8.552 -9.301) 12.635 14.145 ( 0.000 -8.552 9.301) 12.635 17.643 ( 0.000 8.853 -17.249) 19.388 17.643 ( 0.000 8.853 17.249) 19.388 18.567 ( 0.000 -4.591 -2.053) 5.029 18.567 ( 0.000 -4.591 2.053) 5.029 19.872 ( 0.000 -1.625 -7.170) 7.352 19.872 ( 0.000 -1.625 7.170) 7.352 23.382 ( 0.000 -0.439 -0.495) 0.662 23.382 ( 0.000 -0.439 0.495) 0.662 23.740 ( 0.000 2.182 -2.418) 3.257 23.740 ( 0.000 2.182 2.418) 3.257 25.030 ( 0.000 5.607 -5.430) 7.806 25.030 ( 0.000 5.607 5.430) 7.806 26.035 ( 0.000 -5.648 -9.187) 10.784 26.035 ( 0.000 -5.648 9.187) 10.784 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.328 -6.534 -6.711) 11.304 2.619 ( 6.328 -6.534 6.711) 11.304 3.252 ( 7.563 -5.908 -12.021) 15.381 3.252 ( 7.563 -5.908 12.021) 15.381 4.008 ( 0.037 13.050 -12.678) 18.194 4.008 ( 0.037 13.050 12.678) 18.194 4.874 ( 0.416 11.123 -4.144) 11.877 4.874 ( 0.416 11.123 4.144) 11.877 5.195 ( 3.723 -4.013 -5.359) 7.660 5.195 ( 3.723 -4.013 5.359) 7.660 5.909 ( -1.304 5.974 -6.566) 8.972 5.909 ( -1.304 5.974 6.566) 8.972 6.521 ( -3.209 -5.302 -6.171) 8.746 6.521 ( -3.209 -5.302 6.171) 8.746 6.749 ( 0.150 8.709 -15.220) 17.537 6.749 ( 0.150 8.709 15.220) 17.537 7.439 ( -7.886 -5.142 -3.756) 10.136 7.439 ( -7.886 -5.142 3.756) 10.136 7.849 ( 8.841 -0.138 -7.251) 11.435 7.849 ( 8.841 -0.138 7.251) 11.435 8.531 ( 5.692 1.960 -7.444) 9.573 8.531 ( 5.692 1.960 7.444) 9.573 9.285 ( -14.145 0.916 -19.743) 24.304 9.285 ( -14.145 0.916 19.743) 24.304 10.176 ( 6.068 -6.052 -7.939) 11.683 10.176 ( 6.068 -6.052 7.939) 11.683 10.924 ( -8.462 0.957 -3.943) 9.384 10.924 ( -8.462 0.957 3.943) 9.384 11.740 ( 5.172 -0.607 -10.583) 11.795 11.740 ( 5.172 -0.607 10.583) 11.795 12.572 ( -7.471 -0.725 -5.078) 9.063 12.572 ( -7.471 -0.725 5.078) 9.063 14.271 ( 12.016 -9.519 -8.709) 17.631 14.271 ( 12.016 -9.519 8.709) 17.631 17.393 ( -20.030 6.328 -14.446) 25.494 17.393 ( -20.030 6.328 14.446) 25.494 18.740 ( 13.047 -4.273 -3.485) 14.164 18.740 ( 13.047 -4.273 3.485) 14.164 19.926 ( 4.586 1.701 -7.231) 8.730 19.926 ( 4.586 1.701 7.231) 8.730 23.410 ( 2.518 -0.642 -0.976) 2.776 23.410 ( 2.518 -0.642 0.976) 2.776 23.731 ( -0.768 2.066 -2.416) 3.271 23.731 ( -0.768 2.066 2.416) 3.271 25.058 ( 2.769 4.770 -5.020) 7.458 25.058 ( 2.769 4.770 5.020) 7.458 26.014 ( -1.969 -5.320 -8.963) 10.608 26.014 ( -1.969 -5.320 8.963) 10.608 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 4.374 -2.883 -7.682) 9.298 2.725 ( 4.374 -2.883 7.682) 9.298 3.515 ( 16.057 -8.671 -13.028) 22.421 3.515 ( 16.057 -8.671 13.028) 22.421 3.971 ( -3.768 9.656 -14.915) 18.163 3.971 ( -3.768 9.656 14.915) 18.163 4.870 ( 0.799 1.293 -5.925) 6.117 4.870 ( 0.799 1.293 5.925) 6.117 5.350 ( 9.144 8.777 -11.100) 16.848 5.350 ( 9.144 8.777 11.100) 16.848 5.839 ( -6.044 11.576 -5.198) 14.056 5.839 ( -6.044 11.576 5.198) 14.056 6.492 ( 2.522 -8.984 -2.354) 9.624 6.492 ( 2.522 -8.984 2.354) 9.624 6.762 ( 0.597 7.121 -3.403) 7.915 6.762 ( 0.597 7.121 3.403) 7.915 7.253 ( -9.308 -3.889 -3.893) 10.813 7.253 ( -9.308 -3.889 3.893) 10.813 8.041 ( 8.385 -3.352 -5.478) 10.562 8.041 ( 8.385 -3.352 5.478) 10.562 8.593 ( -3.544 -0.689 -11.161) 11.730 8.593 ( -3.544 -0.689 11.161) 11.730 9.068 ( -1.195 -1.225 -14.697) 14.796 9.068 ( -1.195 -1.225 14.697) 14.796 10.244 ( -0.726 1.059 -11.469) 11.540 10.244 ( -0.726 1.059 11.469) 11.540 10.775 ( -5.953 5.065 -9.728) 12.479 10.775 ( -5.953 5.065 9.728) 12.479 11.786 ( -0.924 -5.201 -9.303) 10.698 11.786 ( -0.924 -5.201 9.303) 10.698 12.379 ( -10.270 0.764 -6.946) 12.422 12.379 ( -10.270 0.764 6.946) 12.422 14.612 ( 20.244 -11.457 -7.693) 24.500 14.612 ( 20.244 -11.457 7.693) 24.500 16.944 ( -22.375 2.228 -10.951) 25.011 16.944 ( -22.375 2.228 10.951) 25.011 19.015 ( 13.319 -3.486 -3.284) 14.154 19.015 ( 13.319 -3.486 3.284) 14.154 20.017 ( 3.069 7.101 -7.667) 10.892 20.017 ( 3.069 7.101 7.667) 10.892 23.470 ( 2.920 -1.076 -2.098) 3.753 23.470 ( 2.920 -1.076 2.098) 3.753 23.716 ( -0.463 1.809 -2.852) 3.409 23.716 ( -0.463 1.809 2.852) 3.409 25.148 ( 6.000 2.816 -4.045) 7.765 25.148 ( 6.000 2.816 4.045) 7.765 25.954 ( -3.898 -4.396 -8.249) 10.128 25.954 ( -3.898 -4.396 8.249) 10.128 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 8.393 4.421 -8.286) 12.596 2.847 ( 8.393 4.421 8.286) 12.596 3.653 ( -8.131 8.519 -7.090) 13.746 3.653 ( -8.131 8.519 7.090) 13.746 4.037 ( 15.206 -9.674 -12.059) 21.685 4.037 ( 15.206 -9.674 12.059) 21.685 4.910 ( 0.617 -0.417 -6.373) 6.416 4.910 ( 0.617 -0.417 6.373) 6.416 5.461 ( 1.071 11.870 -8.272) 14.508 5.461 ( 1.071 11.870 8.272) 14.508 5.739 ( -1.027 8.340 -7.448) 11.229 5.739 ( -1.027 8.340 7.448) 11.229 6.532 ( -2.069 -7.077 -2.915) 7.928 6.532 ( -2.069 -7.077 2.915) 7.928 6.798 ( 0.234 4.734 -5.804) 7.493 6.798 ( 0.234 4.734 5.804) 7.493 7.142 ( 3.329 -2.133 -3.531) 5.301 7.142 ( 3.329 -2.133 3.531) 5.301 8.055 ( -9.759 -13.910 -10.431) 19.938 8.055 ( -9.759 -13.910 10.431) 19.938 8.567 ( 8.716 1.034 -9.975) 13.287 8.567 ( 8.716 1.034 9.975) 13.287 9.206 ( 9.193 1.656 -11.401) 14.739 9.206 ( 9.193 1.656 11.401) 14.739 10.160 ( -5.835 8.772 -13.063) 16.782 10.160 ( -5.835 8.772 13.063) 16.782 10.616 ( -11.185 4.516 -14.646) 18.974 10.616 ( -11.185 4.516 14.646) 18.974 11.756 ( -0.118 -6.118 -6.431) 8.877 11.756 ( -0.118 -6.118 6.431) 8.877 12.180 ( -8.939 1.186 -7.577) 11.778 12.180 ( -8.939 1.186 7.577) 11.778 15.059 ( 22.263 -12.648 -8.211) 26.889 15.059 ( 22.263 -12.648 8.211) 26.889 16.499 ( -20.738 -2.172 -8.687) 22.588 16.499 ( -20.738 -2.172 8.687) 22.588 19.287 ( 13.144 -0.392 -3.300) 13.558 19.287 ( 13.144 -0.392 3.300) 13.558 20.018 ( -3.144 9.382 -8.844) 13.271 20.018 ( -3.144 9.382 8.844) 13.271 23.520 ( 1.785 -1.424 -3.466) 4.151 23.520 ( 1.785 -1.424 3.466) 4.151 23.714 ( 0.104 1.577 -3.970) 4.272 23.714 ( 0.104 1.577 3.970) 4.272 25.301 ( 8.638 0.682 -3.384) 9.302 25.301 ( 8.638 0.682 3.384) 9.302 25.854 ( -5.889 -3.011 -7.023) 9.647 25.854 ( -5.889 -3.011 7.023) 9.647 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 13.540 10.440 -7.594) 18.708 3.077 ( 13.540 10.440 7.594) 18.708 3.386 ( -15.014 12.261 -7.392) 20.746 3.386 ( -15.014 12.261 7.392) 20.746 4.391 ( 16.123 -9.585 -11.142) 21.816 4.391 ( 16.123 -9.585 11.142) 21.816 4.789 ( -11.281 -0.035 -7.445) 13.517 4.789 ( -11.281 -0.035 7.445) 13.517 5.541 ( 7.538 7.437 -5.702) 12.027 5.541 ( 7.538 7.437 5.702) 12.027 5.719 ( -3.668 3.873 -7.367) 9.095 5.719 ( -3.668 3.873 7.367) 9.095 6.486 ( 0.037 -1.966 -7.080) 7.348 6.486 ( 0.037 -1.966 7.080) 7.348 6.676 ( -7.602 3.642 -3.011) 8.951 6.676 ( -7.602 3.642 3.011) 8.951 7.390 ( 14.321 -9.445 -7.364) 18.669 7.390 ( 14.321 -9.445 7.364) 18.669 7.787 ( -12.954 -12.512 -8.829) 20.058 7.787 ( -12.954 -12.512 8.829) 20.058 8.869 ( 15.653 3.375 -8.753) 18.249 8.869 ( 15.653 3.375 8.753) 18.249 9.281 ( -3.719 1.374 -9.152) 9.974 9.281 ( -3.719 1.374 9.152) 9.974 10.109 ( 3.642 10.681 -4.977) 12.334 10.109 ( 3.642 10.681 4.977) 12.334 10.331 ( -14.342 4.920 -11.365) 18.949 10.331 ( -14.342 4.920 11.365) 18.949 11.808 ( 4.112 -3.517 -4.554) 7.072 11.808 ( 4.112 -3.517 4.554) 7.072 12.016 ( -6.398 -0.491 -6.892) 9.416 12.016 ( -6.398 -0.491 6.892) 9.416 15.479 ( 16.415 -12.839 -14.457) 25.363 15.479 ( 16.415 -12.839 14.457) 25.363 16.110 ( -15.389 -5.222 -13.146) 20.902 16.110 ( -15.389 -5.222 13.146) 20.902 19.534 ( 9.376 3.189 -7.238) 12.267 19.534 ( 9.376 3.189 7.238) 12.267 19.907 ( -6.142 8.671 -12.917) 16.726 19.907 ( -6.142 8.671 12.917) 16.726 23.543 ( 0.551 -1.556 -4.294) 4.600 23.543 ( 0.551 -1.556 4.294) 4.600 23.717 ( 0.108 1.436 -4.747) 4.961 23.717 ( 0.108 1.436 4.747) 4.961 25.481 ( 7.830 -1.529 -4.078) 8.959 25.481 ( 7.830 -1.529 4.078) 8.959 25.719 ( -6.513 -1.061 -5.487) 8.582 25.719 ( -6.513 -1.061 5.487) 8.582 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 -1.463 -2.107) 2.565 2.464 ( 0.000 -1.463 2.107) 2.565 3.070 ( 0.000 -3.883 -0.962) 4.001 3.070 ( 0.000 -3.883 0.962) 4.001 4.348 ( 0.000 16.587 -10.357) 19.555 4.348 ( 0.000 16.587 10.357) 19.555 4.847 ( 0.000 -14.786 -7.132) 16.416 4.847 ( 0.000 -14.786 7.132) 16.416 5.148 ( 0.000 7.036 -0.094) 7.036 5.148 ( 0.000 7.036 0.094) 7.036 5.926 ( 0.000 -1.692 -4.059) 4.398 5.926 ( 0.000 -1.692 4.059) 4.398 6.562 ( 0.000 3.034 -1.209) 3.266 6.562 ( 0.000 3.034 1.209) 3.266 6.962 ( 0.000 7.291 -7.049) 10.141 6.962 ( 0.000 7.291 7.049) 10.141 7.451 ( 0.000 -2.107 -2.010) 2.912 7.451 ( 0.000 -2.107 2.010) 2.912 7.649 ( 0.000 -6.042 -1.665) 6.268 7.649 ( 0.000 -6.042 1.665) 6.268 8.541 ( 0.000 3.905 -2.094) 4.431 8.541 ( 0.000 3.905 2.094) 4.431 9.509 ( 0.000 -1.317 -8.954) 9.050 9.509 ( 0.000 -1.317 8.954) 9.050 9.974 ( 0.000 -0.832 -2.163) 2.317 9.974 ( 0.000 -0.832 2.163) 2.317 10.938 ( 0.000 -3.924 -1.047) 4.061 10.938 ( 0.000 -3.924 1.047) 4.061 11.723 ( 0.000 2.084 -3.710) 4.255 11.723 ( 0.000 2.084 3.710) 4.255 12.630 ( 0.000 -0.714 -1.738) 1.879 12.630 ( 0.000 -0.714 1.738) 1.879 14.021 ( 0.000 -3.166 -3.459) 4.689 14.021 ( 0.000 -3.166 3.459) 4.689 17.775 ( 0.000 3.492 -6.612) 7.478 17.775 ( 0.000 3.492 6.612) 7.478 18.496 ( 0.000 -1.948 -0.889) 2.141 18.496 ( 0.000 -1.948 0.889) 2.141 19.847 ( 0.000 -0.696 -2.865) 2.948 19.847 ( 0.000 -0.696 2.865) 2.948 23.376 ( 0.000 -0.173 -0.199) 0.264 23.376 ( 0.000 -0.173 0.199) 0.264 23.773 ( 0.000 0.904 -0.766) 1.185 23.773 ( 0.000 0.904 0.766) 1.185 25.128 ( 0.000 3.069 -2.440) 3.921 25.128 ( 0.000 3.069 2.440) 3.921 25.936 ( 0.000 -3.108 -3.778) 4.893 25.936 ( 0.000 -3.108 3.778) 4.893 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 6.219 -1.863 -2.714) 7.037 2.535 ( 6.219 -1.863 2.714) 7.037 3.136 ( 6.741 -3.776 -10.464) 13.007 3.136 ( 6.741 -3.776 10.464) 13.007 4.290 ( -4.975 11.559 -14.336) 19.076 4.290 ( -4.975 11.559 14.336) 19.076 4.840 ( -0.719 -7.832 -2.987) 8.413 4.840 ( -0.719 -7.832 2.987) 8.413 5.272 ( 10.990 5.605 -9.487) 15.563 5.272 ( 10.990 5.605 9.487) 15.563 5.936 ( 1.681 -1.472 -6.739) 7.099 5.936 ( 1.681 -1.472 6.739) 7.099 6.515 ( -4.980 2.659 -3.505) 6.645 6.515 ( -4.980 2.659 3.505) 6.645 6.945 ( -1.664 7.487 -6.030) 9.756 6.945 ( -1.664 7.487 6.030) 9.756 7.312 ( -8.483 -4.960 -1.682) 9.969 7.312 ( -8.483 -4.960 1.682) 9.969 7.796 ( 9.413 -3.495 -4.912) 11.178 7.796 ( 9.413 -3.495 4.912) 11.178 8.617 ( 6.229 4.410 -5.774) 9.570 8.617 ( 6.229 4.410 5.774) 9.570 9.241 ( -19.603 -3.543 -8.409) 21.623 9.241 ( -19.603 -3.543 8.409) 21.623 10.130 ( 10.154 0.371 -6.399) 12.008 10.130 ( 10.154 0.371 6.399) 12.008 10.902 ( -2.915 -1.791 -2.150) 4.040 10.902 ( -2.915 -1.791 2.150) 4.040 11.743 ( 0.681 0.430 -6.329) 6.380 11.743 ( 0.681 0.430 6.329) 6.380 12.557 ( -6.746 -0.546 -2.155) 7.103 12.557 ( -6.746 -0.546 2.155) 7.103 14.133 ( 10.691 -3.573 -3.633) 11.843 14.133 ( 10.691 -3.573 3.633) 11.843 17.480 ( -23.039 2.095 -5.076) 23.684 17.480 ( -23.039 2.095 5.076) 23.684 18.681 ( 13.509 -1.413 -2.093) 13.743 18.681 ( 13.509 -1.413 2.093) 13.743 19.950 ( 8.559 0.597 -4.113) 9.515 19.950 ( 8.559 0.597 4.113) 9.515 23.401 ( 2.274 -0.239 -0.544) 2.350 23.401 ( 2.274 -0.239 0.544) 2.350 23.762 ( -0.943 0.851 -1.220) 1.761 23.762 ( -0.943 0.851 1.220) 1.761 25.141 ( 1.456 2.615 -2.236) 3.736 25.141 ( 1.456 2.615 2.236) 3.736 25.922 ( -1.350 -2.871 -3.816) 4.963 25.922 ( -1.350 -2.871 3.816) 4.963 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 9.597 -0.267 -2.582) 9.942 2.697 ( 9.597 -0.267 2.582) 9.942 3.357 ( 14.616 -4.862 -12.639) 19.925 3.357 ( 14.616 -4.862 12.639) 19.925 4.152 ( -8.637 5.779 -11.693) 15.643 4.152 ( -8.637 5.779 11.693) 15.643 4.848 ( 2.085 -1.663 -7.079) 7.565 4.848 ( 2.085 -1.663 7.079) 7.565 5.514 ( 10.361 5.153 -12.397) 16.959 5.514 ( 10.361 5.153 12.397) 16.959 6.001 ( 2.481 3.095 -7.745) 8.702 6.001 ( 2.481 3.095 7.745) 8.702 6.379 ( -5.659 -0.870 -6.543) 8.695 6.379 ( -5.659 -0.870 6.543) 8.695 6.887 ( -3.834 1.886 -5.625) 7.064 6.887 ( -3.834 1.886 5.625) 7.064 7.189 ( -2.901 -0.171 -3.302) 4.398 7.189 ( -2.901 -0.171 3.302) 4.398 7.951 ( 3.382 -3.983 -4.607) 6.966 7.951 ( 3.382 -3.983 4.607) 6.966 8.606 ( -10.995 1.035 -7.951) 13.608 8.606 ( -10.995 1.035 7.951) 13.608 9.024 ( 5.459 -1.937 -8.055) 9.921 9.024 ( 5.459 -1.937 8.055) 9.921 10.291 ( 4.470 2.299 -8.801) 10.135 10.291 ( 4.470 2.299 8.801) 10.135 10.835 ( -3.817 1.016 -7.857) 8.794 10.835 ( -3.817 1.016 7.857) 8.794 11.709 ( -3.791 -2.007 -7.730) 8.840 11.709 ( -3.791 -2.007 7.730) 8.840 12.383 ( -9.453 -0.149 -3.242) 9.995 12.383 ( -9.453 -0.149 3.242) 9.995 14.443 ( 18.810 -4.454 -4.530) 19.854 14.443 ( 18.810 -4.454 4.530) 19.854 16.966 ( -25.639 0.287 -4.349) 26.007 16.966 ( -25.639 0.287 4.349) 26.007 18.975 ( 14.978 -0.751 -2.237) 15.163 18.975 ( 14.978 -0.751 2.237) 15.163 20.117 ( 5.982 2.571 -5.834) 8.743 20.117 ( 5.982 2.571 5.834) 8.743 23.455 ( 2.628 -0.383 -1.612) 3.107 23.455 ( 2.628 -0.383 1.612) 3.107 23.743 ( -0.701 0.715 -2.509) 2.702 23.743 ( -0.701 0.715 2.509) 2.702 25.197 ( 4.180 1.559 -1.756) 4.795 25.197 ( 4.180 1.559 1.756) 4.795 25.880 ( -2.835 -2.264 -3.693) 5.177 25.880 ( -2.835 -2.264 3.693) 5.177 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 14.047 3.386 -3.943) 14.978 2.939 ( 14.047 3.386 3.943) 14.978 3.690 ( 13.270 -2.799 -11.776) 17.961 3.690 ( 13.270 -2.799 11.776) 17.961 3.965 ( -5.412 1.134 -12.697) 13.849 3.965 ( -5.412 1.134 12.697) 13.849 4.899 ( 0.839 -0.366 -5.980) 6.049 4.899 ( 0.839 -0.366 5.980) 6.049 5.648 ( 2.182 4.893 -10.802) 12.058 5.648 ( 2.182 4.893 10.802) 12.058 5.916 ( -7.588 7.715 -4.464) 11.706 5.916 ( -7.588 7.715 4.464) 11.706 6.376 ( 2.386 -6.328 -2.186) 7.108 6.376 ( 2.386 -6.328 2.186) 7.108 6.834 ( -1.309 -1.436 -9.180) 9.384 6.834 ( -1.309 -1.436 9.180) 9.384 7.179 ( 1.615 4.773 -2.434) 5.596 7.179 ( 1.615 4.773 2.434) 5.596 7.810 ( -14.466 -8.362 -8.591) 18.788 7.810 ( -14.466 -8.362 8.591) 18.788 8.574 ( 11.080 -0.145 -4.635) 12.012 8.574 ( 11.080 -0.145 4.635) 12.012 9.227 ( 9.393 0.560 -7.739) 12.183 9.227 ( 9.393 0.560 7.739) 12.183 10.306 ( -2.196 4.369 -8.167) 9.519 10.306 ( -2.196 4.369 8.167) 9.519 10.696 ( -10.861 2.479 -12.406) 16.674 10.696 ( -10.861 2.479 12.406) 16.674 11.657 ( 0.836 -2.887 -5.601) 6.357 11.657 ( 0.836 -2.887 5.601) 6.357 12.186 ( -9.600 -0.177 -3.435) 10.197 12.186 ( -9.600 -0.177 3.435) 10.197 14.869 ( 21.734 -5.103 -7.354) 23.505 14.869 ( 21.734 -5.103 7.354) 23.505 16.456 ( -23.636 -1.414 -6.451) 24.541 16.456 ( -23.636 -1.414 6.451) 24.541 19.293 ( 15.733 0.460 -3.207) 16.063 19.293 ( 15.733 0.460 3.207) 16.063 20.153 ( -2.695 3.487 -8.038) 9.167 20.153 ( -2.695 3.487 8.038) 9.167 23.500 ( 1.625 -0.503 -3.027) 3.472 23.500 ( 1.625 -0.503 3.027) 3.472 23.736 ( -0.069 0.578 -4.037) 4.079 23.736 ( -0.069 0.578 4.037) 4.079 25.313 ( 6.906 0.414 -1.393) 7.057 25.313 ( 6.906 0.414 1.393) 7.057 25.804 ( -4.531 -1.455 -3.240) 5.757 25.804 ( -4.531 -1.455 3.240) 5.757 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 16.292 5.687 -4.602) 17.859 3.258 ( 16.292 5.687 4.602) 17.859 3.582 ( -14.461 5.748 -5.851) 16.625 3.582 ( -14.461 5.748 5.851) 16.625 4.215 ( 17.893 -5.994 -11.370) 22.031 4.215 ( 17.893 -5.994 11.370) 22.031 4.787 ( -11.089 -0.064 -4.763) 12.069 4.787 ( -11.089 -0.064 4.763) 12.069 5.672 ( 3.570 3.727 -1.864) 5.487 5.672 ( 3.570 3.727 1.864) 5.487 5.793 ( -5.955 3.003 -0.732) 6.709 5.793 ( -5.955 3.003 0.732) 6.709 6.443 ( 4.832 -1.688 -4.800) 7.017 6.443 ( 4.832 -1.688 4.800) 7.017 6.741 ( -7.272 2.041 -4.436) 8.760 6.741 ( -7.272 2.041 4.436) 8.760 7.240 ( 2.847 -4.087 -5.128) 7.149 7.240 ( 2.847 -4.087 5.128) 7.149 7.581 ( -5.688 -6.289 -5.153) 9.923 7.581 ( -5.688 -6.289 5.153) 9.923 8.917 ( 17.919 1.189 -4.438) 18.499 8.917 ( 17.919 1.189 4.438) 18.499 9.291 ( -4.671 0.130 -9.401) 10.498 9.291 ( -4.671 0.130 9.401) 10.498 10.270 ( 0.693 3.876 -9.521) 10.303 10.270 ( 0.693 3.876 9.521) 10.303 10.439 ( -11.088 4.305 -4.858) 12.848 10.439 ( -11.088 4.305 4.858) 12.848 11.749 ( 6.404 -1.777 -4.753) 8.171 11.749 ( 6.404 -1.777 4.753) 8.171 11.996 ( -8.146 -0.947 -3.465) 8.903 11.996 ( -8.146 -0.947 3.465) 8.903 15.284 ( 16.027 -5.340 -15.971) 23.248 15.284 ( 16.027 -5.340 15.971) 23.248 16.025 ( -16.226 -2.492 -14.939) 22.196 16.025 ( -16.226 -2.492 14.939) 22.196 19.588 ( 11.096 1.624 -8.288) 13.944 19.588 ( 11.096 1.624 8.288) 13.944 20.034 ( -6.864 3.395 -13.638) 15.641 20.034 ( -6.864 3.395 13.638) 15.641 23.521 ( 0.512 -0.554 -3.867) 3.940 23.521 ( 0.512 -0.554 3.867) 3.940 23.737 ( 0.046 0.504 -4.890) 4.916 23.737 ( 0.046 0.504 4.890) 4.916 25.456 ( 5.819 -0.697 -1.719) 6.107 25.456 ( 5.819 -0.697 1.719) 6.107 25.702 ( -4.578 -0.465 -2.862) 5.419 25.702 ( -4.578 -0.465 2.862) 5.419 =================== 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 3/30240 10.0 9647.976 11464.243 18185.562 0.000 0.000 0.000 3/30240 20.0 1801.511 2760.454 2604.226 0.000 0.000 0.000 3/30240 30.0 488.395 728.786 613.185 0.000 0.000 0.000 3/30240 40.0 202.033 301.837 245.140 0.000 0.000 0.000 3/30240 50.0 108.209 162.006 130.421 0.000 0.000 0.000 3/30240 60.0 68.130 102.096 82.151 0.000 0.000 0.000 3/30240 70.0 47.733 71.500 57.650 0.000 0.000 0.000 3/30240 80.0 35.996 53.835 43.526 0.000 0.000 0.000 3/30240 90.0 28.606 42.680 34.608 0.000 0.000 0.000 3/30240 100.0 23.626 35.143 28.582 0.000 0.000 0.000 3/30240 110.0 20.086 29.776 24.290 0.000 0.000 0.000 3/30240 120.0 17.462 25.793 21.104 0.000 0.000 0.000 3/30240 130.0 15.449 22.735 18.657 0.000 0.000 0.000 3/30240 140.0 13.862 20.322 16.727 0.000 0.000 0.000 3/30240 150.0 12.580 18.374 15.168 0.000 0.000 0.000 3/30240 160.0 11.526 16.771 13.884 0.000 0.000 0.000 3/30240 170.0 10.643 15.429 12.809 0.000 0.000 0.000 3/30240 180.0 9.894 14.291 11.896 0.000 0.000 0.000 3/30240 190.0 9.250 13.313 11.111 0.000 0.000 0.000 3/30240 200.0 8.691 12.464 10.429 0.000 0.000 0.000 3/30240 210.0 8.201 11.721 9.831 0.000 0.000 0.000 3/30240 220.0 7.767 11.064 9.302 0.000 0.000 0.000 3/30240 230.0 7.381 10.480 8.830 0.000 0.000 0.000 3/30240 240.0 7.035 9.956 8.407 0.000 0.000 0.000 3/30240 250.0 6.723 9.484 8.025 0.000 0.000 0.000 3/30240 260.0 6.440 9.057 7.679 0.000 0.000 0.000 3/30240 270.0 6.181 8.668 7.363 0.000 0.000 0.000 3/30240 280.0 5.945 8.313 7.073 0.000 0.000 0.000 3/30240 290.0 5.727 7.986 6.807 0.000 0.000 0.000 3/30240 300.0 5.526 7.686 6.561 0.000 0.000 0.000 3/30240 310.0 5.340 7.408 6.333 0.000 0.000 0.000 3/30240 320.0 5.167 7.150 6.122 0.000 0.000 0.000 3/30240 330.0 5.006 6.910 5.925 0.000 0.000 0.000 3/30240 340.0 4.855 6.687 5.740 0.000 0.000 0.000 3/30240 350.0 4.713 6.478 5.568 0.000 0.000 0.000 3/30240 360.0 4.581 6.282 5.406 0.000 0.000 0.000 3/30240 370.0 4.455 6.098 5.253 0.000 0.000 0.000 3/30240 380.0 4.337 5.925 5.110 0.000 0.000 0.000 3/30240 390.0 4.226 5.762 4.974 0.000 0.000 0.000 3/30240 400.0 4.120 5.607 4.845 0.000 0.000 0.000 3/30240 410.0 4.020 5.462 4.724 0.000 0.000 0.000 3/30240 420.0 3.924 5.323 4.608 0.000 0.000 0.000 3/30240 430.0 3.834 5.192 4.498 0.000 0.000 0.000 3/30240 440.0 3.747 5.067 4.393 0.000 0.000 0.000 3/30240 450.0 3.665 4.949 4.294 0.000 0.000 0.000 3/30240 460.0 3.586 4.835 4.198 0.000 0.000 0.000 3/30240 470.0 3.511 4.728 4.107 0.000 0.000 0.000 3/30240 480.0 3.438 4.624 4.020 0.000 0.000 0.000 3/30240 490.0 3.369 4.526 3.937 0.000 0.000 0.000 3/30240 500.0 3.303 4.431 3.857 0.000 0.000 0.000 3/30240 510.0 3.239 4.341 3.781 0.000 0.000 0.000 3/30240 520.0 3.178 4.254 3.707 0.000 0.000 0.000 3/30240 530.0 3.119 4.171 3.636 0.000 0.000 0.000 3/30240 540.0 3.062 4.091 3.568 0.000 0.000 0.000 3/30240 550.0 3.007 4.014 3.503 0.000 0.000 0.000 3/30240 560.0 2.955 3.940 3.440 0.000 0.000 0.000 3/30240 570.0 2.904 3.869 3.379 0.000 0.000 0.000 3/30240 580.0 2.854 3.800 3.320 0.000 0.000 0.000 3/30240 590.0 2.807 3.734 3.264 0.000 0.000 0.000 3/30240 600.0 2.761 3.670 3.209 0.000 0.000 0.000 3/30240 610.0 2.717 3.608 3.156 0.000 0.000 0.000 3/30240 620.0 2.674 3.548 3.105 0.000 0.000 0.000 3/30240 630.0 2.632 3.490 3.055 0.000 0.000 0.000 3/30240 640.0 2.592 3.434 3.008 0.000 0.000 0.000 3/30240 650.0 2.552 3.380 2.961 0.000 0.000 0.000 3/30240 660.0 2.514 3.328 2.916 0.000 0.000 0.000 3/30240 670.0 2.478 3.277 2.872 0.000 0.000 0.000 3/30240 680.0 2.442 3.228 2.830 0.000 0.000 0.000 3/30240 690.0 2.407 3.180 2.789 0.000 0.000 0.000 3/30240 700.0 2.373 3.134 2.749 0.000 0.000 0.000 3/30240 710.0 2.340 3.089 2.710 0.000 0.000 0.000 3/30240 720.0 2.309 3.045 2.672 0.000 0.000 0.000 3/30240 730.0 2.277 3.003 2.636 0.000 0.000 0.000 3/30240 740.0 2.247 2.962 2.600 0.000 0.000 0.000 3/30240 750.0 2.218 2.921 2.565 0.000 0.000 0.000 3/30240 760.0 2.189 2.882 2.532 0.000 0.000 0.000 3/30240 770.0 2.161 2.844 2.499 0.000 0.000 0.000 3/30240 780.0 2.134 2.807 2.467 0.000 0.000 0.000 3/30240 790.0 2.107 2.771 2.435 0.000 0.000 0.000 3/30240 800.0 2.081 2.736 2.405 0.000 0.000 0.000 3/30240 810.0 2.056 2.702 2.375 0.000 0.000 0.000 3/30240 820.0 2.031 2.668 2.346 0.000 0.000 0.000 3/30240 830.0 2.007 2.636 2.318 0.000 0.000 0.000 3/30240 840.0 1.984 2.604 2.290 0.000 0.000 0.000 3/30240 850.0 1.961 2.573 2.264 0.000 0.000 0.000 3/30240 860.0 1.938 2.543 2.237 0.000 0.000 0.000 3/30240 870.0 1.916 2.513 2.211 0.000 0.000 0.000 3/30240 880.0 1.895 2.484 2.186 0.000 0.000 0.000 3/30240 890.0 1.874 2.456 2.162 0.000 0.000 0.000 3/30240 900.0 1.853 2.428 2.138 0.000 0.000 0.000 3/30240 910.0 1.833 2.401 2.114 0.000 0.000 0.000 3/30240 920.0 1.814 2.375 2.091 0.000 0.000 0.000 3/30240 930.0 1.795 2.349 2.069 0.000 0.000 0.000 3/30240 940.0 1.776 2.324 2.047 0.000 0.000 0.000 3/30240 950.0 1.757 2.299 2.025 0.000 0.000 0.000 3/30240 960.0 1.739 2.275 2.004 0.000 0.000 0.000 3/30240 970.0 1.721 2.251 1.984 0.000 0.000 0.000 3/30240 980.0 1.704 2.228 1.963 0.000 0.000 0.000 3/30240 990.0 1.687 2.206 1.944 0.000 0.000 0.000 3/30240 1000.0 1.671 2.183 1.924 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|