----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:55:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.347097959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): *1 Nd 0.98426745489684 0.85286238680204 0.08902311082875 144.242 2 Nd 0.01573254510316 0.35286238680205 0.41097688917125 144.242 3 Nd 0.48426745489684 0.64713761319796 0.91097688917125 144.242 *4 Nd 0.01220807013623 0.94703729417025 0.76952189950482 144.242 5 Nd 0.51220807013623 0.55296270582975 0.23047810049518 144.242 6 Nd 0.98779192986377 0.44703729417025 0.73047810049518 144.242 7 Nd 0.51573254510316 0.14713761319795 0.58902311082875 144.242 8 Nd 0.48779192986377 0.05296270582975 0.26952189950482 144.242 *9 Si 0.01616401466244 0.25188982607518 0.17962578955415 28.085 *10 Si 0.51772731419771 0.99708945031656 0.97480069263902 28.085 11 Si 0.98227268580229 0.00291054968344 0.47480069263902 28.085 12 Si 0.48383598533756 0.74811017392483 0.67962578955415 28.085 13 Si 0.98383598533756 0.75188982607517 0.32037421044585 28.085 14 Si 0.01772731419771 0.50291054968344 0.02519930736098 28.085 15 Si 0.51616401466244 0.24811017392483 0.82037421044585 28.085 16 Si 0.48227268580229 0.49708945031656 0.52519930736098 28.085 *17 O 0.74864387309762 0.89437231971113 0.92419794496868 15.999 18 O 0.75135612690238 0.10562768028887 0.42419794496868 15.999 *19 O 0.91227552537068 0.56852952488899 0.32183248844037 15.999 *20 O 0.24686490767710 0.32518658125738 0.24716719355388 15.999 *21 O 0.98962263046751 0.82184177022221 0.43785281550515 15.999 22 O 0.01037736953249 0.32184177022221 0.06214718449485 15.999 *23 O 0.07100119719620 0.51582100295602 0.90268810845336 15.999 24 O 0.57100119719620 0.98417899704398 0.09731189154664 15.999 25 O 0.41227552537068 0.93147047511101 0.67816751155963 15.999 26 O 0.42899880280380 0.48417899704398 0.40268810845336 15.999 *27 O 0.26191777632614 0.90375140010868 0.93870941938632 15.999 28 O 0.73808222367386 0.40375140010868 0.56129058061368 15.999 29 O 0.25135612690238 0.39437231971113 0.57580205503132 15.999 30 O 0.24864387309762 0.60562768028887 0.07580205503132 15.999 *31 O 0.74557515448317 0.71509052346880 0.74064295182927 15.999 32 O 0.24557515448316 0.78490947653120 0.25935704817073 15.999 33 O 0.74686490767710 0.17481341874262 0.75283280644612 15.999 34 O 0.75313509232290 0.82518658125738 0.25283280644612 15.999 35 O 0.48962263046751 0.67815822977779 0.56214718449485 15.999 36 O 0.25442484551683 0.21509052346880 0.75935704817073 15.999 37 O 0.51037736953249 0.17815822977779 0.93785281550515 15.999 38 O 0.75442484551683 0.28490947653120 0.24064295182927 15.999 39 O 0.76191777632614 0.59624859989132 0.06129058061368 15.999 40 O 0.25313509232290 0.67481341874262 0.74716719355388 15.999 41 O 0.23808222367386 0.09624859989132 0.43870941938632 15.999 42 O 0.08772447462932 0.06852952488899 0.17816751155963 15.999 43 O 0.92899880280380 0.01582100295602 0.59731189154664 15.999 44 O 0.58772447462932 0.43147047511101 0.82183248844037 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.347097959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): *1 Nd 0.98426745489684 0.85286238680204 0.08902311082875 144.242 > 1 2 Nd 0.01573254510316 0.35286238680205 0.41097688917125 144.242 > 2 3 Nd 0.48426745489684 0.64713761319796 0.91097688917125 144.242 > 3 *4 Nd 0.01220807013623 0.94703729417025 0.76952189950482 144.242 > 4 5 Nd 0.51220807013623 0.55296270582975 0.23047810049518 144.242 > 5 6 Nd 0.98779192986377 0.44703729417025 0.73047810049518 144.242 > 6 7 Nd 0.51573254510316 0.14713761319795 0.58902311082875 144.242 > 7 8 Nd 0.48779192986377 0.05296270582975 0.26952189950482 144.242 > 8 *9 Si 0.01616401466244 0.25188982607518 0.17962578955415 28.085 > 9 *10 Si 0.51772731419771 0.99708945031656 0.97480069263902 28.085 > 10 11 Si 0.98227268580229 0.00291054968344 0.47480069263902 28.085 > 11 12 Si 0.48383598533756 0.74811017392483 0.67962578955415 28.085 > 12 13 Si 0.98383598533756 0.75188982607517 0.32037421044585 28.085 > 13 14 Si 0.01772731419771 0.50291054968344 0.02519930736098 28.085 > 14 15 Si 0.51616401466244 0.24811017392483 0.82037421044585 28.085 > 15 16 Si 0.48227268580229 0.49708945031656 0.52519930736098 28.085 > 16 *17 O 0.74864387309762 0.89437231971113 0.92419794496868 15.999 > 17 18 O 0.75135612690238 0.10562768028887 0.42419794496868 15.999 > 18 *19 O 0.91227552537068 0.56852952488899 0.32183248844037 15.999 > 19 *20 O 0.24686490767710 0.32518658125738 0.24716719355388 15.999 > 20 *21 O 0.98962263046751 0.82184177022221 0.43785281550515 15.999 > 21 22 O 0.01037736953249 0.32184177022221 0.06214718449485 15.999 > 22 *23 O 0.07100119719620 0.51582100295602 0.90268810845336 15.999 > 23 24 O 0.57100119719620 0.98417899704398 0.09731189154664 15.999 > 24 25 O 0.41227552537068 0.93147047511101 0.67816751155963 15.999 > 25 26 O 0.42899880280380 0.48417899704398 0.40268810845336 15.999 > 26 *27 O 0.26191777632614 0.90375140010868 0.93870941938632 15.999 > 27 28 O 0.73808222367386 0.40375140010868 0.56129058061368 15.999 > 28 29 O 0.25135612690238 0.39437231971113 0.57580205503132 15.999 > 29 30 O 0.24864387309762 0.60562768028887 0.07580205503132 15.999 > 30 *31 O 0.74557515448317 0.71509052346880 0.74064295182927 15.999 > 31 32 O 0.24557515448316 0.78490947653120 0.25935704817073 15.999 > 32 33 O 0.74686490767710 0.17481341874262 0.75283280644612 15.999 > 33 34 O 0.75313509232290 0.82518658125738 0.25283280644612 15.999 > 34 35 O 0.48962263046751 0.67815822977779 0.56214718449485 15.999 > 35 36 O 0.25442484551683 0.21509052346880 0.75935704817073 15.999 > 36 37 O 0.51037736953249 0.17815822977779 0.93785281550515 15.999 > 37 38 O 0.75442484551683 0.28490947653120 0.24064295182927 15.999 > 38 39 O 0.76191777632614 0.59624859989132 0.06129058061368 15.999 > 39 40 O 0.25313509232290 0.67481341874262 0.74716719355388 15.999 > 40 41 O 0.23808222367386 0.09624859989132 0.43870941938632 15.999 > 41 42 O 0.08772447462932 0.06852952488899 0.17816751155963 15.999 > 42 43 O 0.92899880280380 0.01582100295602 0.59731189154664 15.999 > 43 44 O 0.58772447462932 0.43147047511101 0.82183248844037 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.694195919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): *1 Nd 0.49213372744842 0.85286238680204 0.08902311082875 144.242 > 1 2 Nd 0.99213372744842 0.85286238680204 0.08902311082875 144.242 > 1 3 Nd 0.00786627255158 0.35286238680205 0.41097688917125 144.242 > 2 4 Nd 0.50786627255158 0.35286238680205 0.41097688917125 144.242 > 2 5 Nd 0.24213372744842 0.64713761319796 0.91097688917125 144.242 > 3 6 Nd 0.74213372744842 0.64713761319796 0.91097688917125 144.242 > 3 *7 Nd 0.00610403506812 0.94703729417025 0.76952189950482 144.242 > 4 8 Nd 0.50610403506812 0.94703729417025 0.76952189950482 144.242 > 4 9 Nd 0.25610403506812 0.55296270582975 0.23047810049518 144.242 > 5 10 Nd 0.75610403506812 0.55296270582975 0.23047810049518 144.242 > 5 11 Nd 0.49389596493188 0.44703729417025 0.73047810049518 144.242 > 6 12 Nd 0.99389596493188 0.44703729417025 0.73047810049518 144.242 > 6 13 Nd 0.25786627255158 0.14713761319795 0.58902311082875 144.242 > 7 14 Nd 0.75786627255158 0.14713761319795 0.58902311082875 144.242 > 7 15 Nd 0.24389596493188 0.05296270582975 0.26952189950482 144.242 > 8 16 Nd 0.74389596493188 0.05296270582975 0.26952189950482 144.242 > 8 *17 Si 0.00808200733122 0.25188982607518 0.17962578955415 28.085 > 9 18 Si 0.50808200733122 0.25188982607518 0.17962578955415 28.085 > 9 *19 Si 0.25886365709886 0.99708945031656 0.97480069263902 28.085 > 10 20 Si 0.75886365709886 0.99708945031656 0.97480069263902 28.085 > 10 21 Si 0.49113634290114 0.00291054968344 0.47480069263902 28.085 > 11 22 Si 0.99113634290114 0.00291054968344 0.47480069263902 28.085 > 11 23 Si 0.24191799266878 0.74811017392483 0.67962578955415 28.085 > 12 24 Si 0.74191799266878 0.74811017392483 0.67962578955415 28.085 > 12 25 Si 0.49191799266878 0.75188982607517 0.32037421044585 28.085 > 13 26 Si 0.99191799266878 0.75188982607517 0.32037421044585 28.085 > 13 27 Si 0.00886365709886 0.50291054968344 0.02519930736098 28.085 > 14 28 Si 0.50886365709886 0.50291054968344 0.02519930736098 28.085 > 14 29 Si 0.25808200733122 0.24811017392483 0.82037421044585 28.085 > 15 30 Si 0.75808200733122 0.24811017392483 0.82037421044585 28.085 > 15 31 Si 0.24113634290114 0.49708945031656 0.52519930736098 28.085 > 16 32 Si 0.74113634290114 0.49708945031656 0.52519930736098 28.085 > 16 *33 O 0.37432193654881 0.89437231971113 0.92419794496868 15.999 > 17 34 O 0.87432193654881 0.89437231971113 0.92419794496868 15.999 > 17 35 O 0.37567806345119 0.10562768028887 0.42419794496868 15.999 > 18 36 O 0.87567806345119 0.10562768028887 0.42419794496868 15.999 > 18 *37 O 0.45613776268534 0.56852952488899 0.32183248844037 15.999 > 19 38 O 0.95613776268534 0.56852952488899 0.32183248844037 15.999 > 19 *39 O 0.12343245383855 0.32518658125738 0.24716719355388 15.999 > 20 40 O 0.62343245383855 0.32518658125738 0.24716719355388 15.999 > 20 *41 O 0.49481131523376 0.82184177022221 0.43785281550515 15.999 > 21 42 O 0.99481131523376 0.82184177022221 0.43785281550515 15.999 > 21 43 O 0.00518868476624 0.32184177022221 0.06214718449485 15.999 > 22 44 O 0.50518868476624 0.32184177022221 0.06214718449485 15.999 > 22 *45 O 0.03550059859810 0.51582100295602 0.90268810845336 15.999 > 23 46 O 0.53550059859810 0.51582100295602 0.90268810845336 15.999 > 23 47 O 0.28550059859810 0.98417899704398 0.09731189154664 15.999 > 24 48 O 0.78550059859810 0.98417899704398 0.09731189154664 15.999 > 24 49 O 0.20613776268534 0.93147047511101 0.67816751155963 15.999 > 25 50 O 0.70613776268534 0.93147047511101 0.67816751155963 15.999 > 25 51 O 0.21449940140190 0.48417899704398 0.40268810845336 15.999 > 26 52 O 0.71449940140190 0.48417899704398 0.40268810845336 15.999 > 26 *53 O 0.13095888816307 0.90375140010868 0.93870941938632 15.999 > 27 54 O 0.63095888816307 0.90375140010868 0.93870941938632 15.999 > 27 55 O 0.36904111183693 0.40375140010868 0.56129058061368 15.999 > 28 56 O 0.86904111183693 0.40375140010868 0.56129058061368 15.999 > 28 57 O 0.12567806345119 0.39437231971113 0.57580205503132 15.999 > 29 58 O 0.62567806345119 0.39437231971113 0.57580205503132 15.999 > 29 59 O 0.12432193654881 0.60562768028887 0.07580205503132 15.999 > 30 60 O 0.62432193654881 0.60562768028887 0.07580205503132 15.999 > 30 *61 O 0.37278757724158 0.71509052346880 0.74064295182927 15.999 > 31 62 O 0.87278757724158 0.71509052346880 0.74064295182927 15.999 > 31 63 O 0.12278757724158 0.78490947653120 0.25935704817073 15.999 > 32 64 O 0.62278757724158 0.78490947653120 0.25935704817073 15.999 > 32 65 O 0.37343245383855 0.17481341874262 0.75283280644612 15.999 > 33 66 O 0.87343245383855 0.17481341874262 0.75283280644612 15.999 > 33 67 O 0.37656754616145 0.82518658125738 0.25283280644612 15.999 > 34 68 O 0.87656754616145 0.82518658125738 0.25283280644612 15.999 > 34 69 O 0.24481131523376 0.67815822977779 0.56214718449485 15.999 > 35 70 O 0.74481131523376 0.67815822977779 0.56214718449485 15.999 > 35 71 O 0.12721242275842 0.21509052346880 0.75935704817073 15.999 > 36 72 O 0.62721242275842 0.21509052346880 0.75935704817073 15.999 > 36 73 O 0.25518868476624 0.17815822977779 0.93785281550515 15.999 > 37 74 O 0.75518868476624 0.17815822977779 0.93785281550515 15.999 > 37 75 O 0.37721242275842 0.28490947653120 0.24064295182927 15.999 > 38 76 O 0.87721242275842 0.28490947653120 0.24064295182927 15.999 > 38 77 O 0.38095888816307 0.59624859989132 0.06129058061368 15.999 > 39 78 O 0.88095888816307 0.59624859989132 0.06129058061368 15.999 > 39 79 O 0.12656754616145 0.67481341874262 0.74716719355388 15.999 > 40 80 O 0.62656754616145 0.67481341874262 0.74716719355388 15.999 > 40 81 O 0.11904111183693 0.09624859989132 0.43870941938632 15.999 > 41 82 O 0.61904111183693 0.09624859989132 0.43870941938632 15.999 > 41 83 O 0.04386223731466 0.06852952488899 0.17816751155963 15.999 > 42 84 O 0.54386223731466 0.06852952488899 0.17816751155963 15.999 > 42 85 O 0.46449940140190 0.01582100295602 0.59731189154664 15.999 > 43 86 O 0.96449940140190 0.01582100295602 0.59731189154664 15.999 > 43 87 O 0.29386223731466 0.43147047511101 0.82183248844037 15.999 > 44 88 O 0.79386223731466 0.43147047511101 0.82183248844037 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4510693 0.0000000 0.0000000 0.0000000 3.4602564 0.0000000 0.0000000 0.0000000 3.4748395 -------------------------- Born effective charges -------------------------- 1 Nd 3.8076617 -0.0331694 0.0098510 -0.0479740 3.7374049 0.3556170 0.0162951 0.4237880 4.0887211 2 Nd 3.8076617 0.0331694 0.0098510 0.0479740 3.7374049 -0.3556170 0.0162951 -0.4237880 4.0887211 3 Nd 3.8076617 0.0331694 -0.0098510 0.0479740 3.7374049 0.3556170 -0.0162951 0.4237880 4.0887211 4 Nd 4.2184904 -0.0356693 -0.0504764 -0.0574594 4.0381916 -0.5709587 -0.1469960 -0.5667477 4.0008935 5 Nd 4.2184904 0.0356693 0.0504764 0.0574594 4.0381916 -0.5709587 0.1469960 -0.5667477 4.0008935 6 Nd 4.2184904 0.0356693 -0.0504764 0.0574594 4.0381916 0.5709587 -0.1469960 0.5667477 4.0008935 7 Nd 3.8076617 -0.0331694 -0.0098510 -0.0479740 3.7374049 -0.3556170 -0.0162951 -0.4237880 4.0887211 8 Nd 4.2184904 -0.0356693 0.0504764 -0.0574594 4.0381916 0.5709587 0.1469960 0.5667477 4.0008935 9 Si 2.9133510 -0.1803478 -0.0624373 -0.1132872 3.3597731 -0.3958175 -0.0242839 0.1014148 3.0151672 10 Si 2.8324836 -0.0000602 0.2640490 0.0198582 3.0855211 -0.0662518 0.2088032 -0.4270119 3.1442759 11 Si 2.8324836 -0.0000602 -0.2640490 0.0198582 3.0855211 0.0662518 -0.2088032 0.4270119 3.1442759 12 Si 2.9133510 -0.1803478 0.0624373 -0.1132872 3.3597731 0.3958175 0.0242839 -0.1014148 3.0151672 13 Si 2.9133510 0.1803478 -0.0624373 0.1132872 3.3597731 0.3958175 -0.0242839 -0.1014148 3.0151672 14 Si 2.8324836 0.0000602 -0.2640490 -0.0198582 3.0855211 -0.0662518 -0.2088032 -0.4270119 3.1442759 15 Si 2.9133510 0.1803478 0.0624373 0.1132872 3.3597731 -0.3958175 0.0242839 0.1014148 3.0151672 16 Si 2.8324836 0.0000602 0.2640490 -0.0198582 3.0855211 0.0662518 0.2088032 0.4270119 3.1442759 17 O -2.1525373 -0.0029973 0.1697551 0.0450543 -1.7115307 -0.0104873 0.1838421 0.0311563 -2.2509428 18 O -2.1525373 -0.0029973 -0.1697551 0.0450543 -1.7115307 0.0104873 -0.1838421 -0.0311563 -2.2509428 19 O -1.9064920 0.0130085 -0.3814822 -0.0306705 -2.9037656 0.5661074 -0.3387246 0.6023626 -1.5740430 20 O -2.1816802 -0.3141545 0.0459023 -0.3514222 -2.2274541 -0.0879343 -0.0895174 -0.1894191 -1.8277433 21 O -0.9937678 -0.0051469 0.0377535 0.0020055 -2.2214856 -0.9000849 0.0232389 -0.8638119 -2.0378704 22 O -0.9937678 0.0051469 0.0377535 -0.0020055 -2.2214856 0.9000849 0.0232389 0.8638119 -2.0378704 23 O -1.8710088 -0.2569832 0.0099356 -0.2948486 -1.2993702 -0.2815118 0.0547366 -0.2746335 -2.8474544 24 O -1.8710088 0.2569832 -0.0099356 0.2948486 -1.2993702 -0.2815118 -0.0547366 -0.2746335 -2.8474544 25 O -1.9064920 -0.0130085 0.3814822 0.0306705 -2.9037656 0.5661074 0.3387246 0.6023626 -1.5740430 26 O -1.8710088 -0.2569832 -0.0099356 -0.2948486 -1.2993702 0.2815118 -0.0547366 0.2746335 -2.8474544 27 O -2.3184663 -0.1743415 -0.1309595 -0.1484850 -1.7622121 -0.0157793 -0.0230243 -0.0021712 -2.1027146 28 O -2.3184663 0.1743415 -0.1309595 0.1484850 -1.7622121 0.0157793 -0.0230243 0.0021712 -2.1027146 29 O -2.1525373 0.0029973 0.1697551 -0.0450543 -1.7115307 0.0104873 0.1838421 -0.0311563 -2.2509428 30 O -2.1525373 0.0029973 -0.1697551 -0.0450543 -1.7115307 -0.0104873 -0.1838421 0.0311563 -2.2509428 31 O -2.3480344 0.0099391 -0.1901654 -0.1014078 -2.0950726 -0.0053294 -0.1906674 0.1208817 -1.6082890 32 O -2.3480344 -0.0099391 0.1901654 0.1014078 -2.0950726 -0.0053294 0.1906674 0.1208817 -1.6082890 33 O -2.1816802 0.3141545 -0.0459023 0.3514222 -2.2274541 -0.0879343 0.0895174 -0.1894191 -1.8277433 34 O -2.1816802 0.3141545 0.0459023 0.3514222 -2.2274541 0.0879343 -0.0895174 0.1894191 -1.8277433 35 O -0.9937678 0.0051469 -0.0377535 -0.0020055 -2.2214856 -0.9000849 -0.0232389 -0.8638119 -2.0378704 36 O -2.3480344 -0.0099391 -0.1901654 0.1014078 -2.0950726 0.0053294 -0.1906674 -0.1208817 -1.6082890 37 O -0.9937678 -0.0051469 -0.0377535 0.0020055 -2.2214856 0.9000849 -0.0232389 0.8638119 -2.0378704 38 O -2.3480344 0.0099391 0.1901654 -0.1014078 -2.0950726 0.0053294 0.1906674 -0.1208817 -1.6082890 39 O -2.3184663 0.1743415 0.1309595 0.1484850 -1.7622121 -0.0157793 0.0230243 -0.0021712 -2.1027146 40 O -2.1816802 -0.3141545 -0.0459023 -0.3514222 -2.2274541 0.0879343 0.0895174 0.1894191 -1.8277433 41 O -2.3184663 -0.1743415 0.1309595 -0.1484850 -1.7622121 0.0157793 0.0230243 0.0021712 -2.1027146 42 O -1.9064920 -0.0130085 -0.3814822 0.0306705 -2.9037656 -0.5661074 -0.3387246 -0.6023626 -1.5740430 43 O -1.8710088 0.2569832 0.0099356 0.2948486 -1.2993702 0.2815118 0.0547366 0.2746335 -2.8474544 44 O -1.9064920 0.0130085 0.3814822 -0.0306705 -2.9037656 -0.5661074 0.3387246 -0.6023626 -1.5740430 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4455 Number of blocks in projector: 4455 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 450 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 447 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 258 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 258 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 258 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4455, 4356), data: False |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 9), data: (517, 20) @ (20, 9) |-- (267, 258), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 9), data: (517, 20) @ (20, 9) |-- (267, 258), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 9), data: (517, 20) @ (20, 9) |-- (267, 258), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 21), data: (968, 43) @ (43, 21) |-- (468, 447), data: True |-- (500, 478), data: False |-- (500, 17), data: (500, 39) @ (39, 17) |-- (250, 228), data: True |-- (250, 233), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 229), data: True |-- (250, 231), data: True |-- (968, 946), data: False |-- (968, 18), data: (968, 40) @ (40, 18) |-- (468, 450), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1360 - Time: 0.945 Solver_block: 200 / 1360 - Time: 0.849 Solver_block: 300 / 1360 - Time: 0.851 Solver_block: 400 / 1360 - Time: 0.851 Solver_block: 500 / 1360 - Time: 0.853 Solver_block: 600 / 1360 - Time: 0.852 Solver_block: 700 / 1360 - Time: 0.850 Solver_block: 800 / 1360 - Time: 0.853 Solver_block: 900 / 1360 - Time: 0.852 Solver_block: 1000 / 1360 - Time: 0.854 Solver_block: 1100 / 1360 - Time: 0.852 Solver_block: 1200 / 1360 - Time: 0.853 Solver_block: 1300 / 1360 - Time: 0.853 Solver_block: 1360 / 1360 - Time: 0.584 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.048 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4455 Number of blocks in projector: 4455 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 450 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 447 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 258 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 258 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 258 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4455, 4356), data: False |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 9), data: (517, 20) @ (20, 9) |-- (267, 258), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 9), data: (517, 20) @ (20, 9) |-- (267, 258), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 9), data: (517, 20) @ (20, 9) |-- (267, 258), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 21), data: (968, 43) @ (43, 21) |-- (468, 447), data: True |-- (500, 478), data: False |-- (500, 17), data: (500, 39) @ (39, 17) |-- (250, 228), data: True |-- (250, 233), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 229), data: True |-- (250, 231), data: True |-- (968, 946), data: False |-- (968, 18), data: (968, 40) @ (40, 18) |-- (468, 450), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), 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 2026-01-08 12:56:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:56:36]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.347097959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): 1 Nd 0.98426745489684 0.85286238680204 0.08902311082875 144.242 2 Nd 0.01573254510316 0.35286238680205 0.41097688917125 144.242 3 Nd 0.48426745489684 0.64713761319796 0.91097688917125 144.242 4 Nd 0.01220807013623 0.94703729417025 0.76952189950482 144.242 5 Nd 0.51220807013623 0.55296270582975 0.23047810049518 144.242 6 Nd 0.98779192986377 0.44703729417025 0.73047810049518 144.242 7 Nd 0.51573254510316 0.14713761319795 0.58902311082875 144.242 8 Nd 0.48779192986377 0.05296270582975 0.26952189950482 144.242 9 Si 0.01616401466244 0.25188982607518 0.17962578955415 28.085 10 Si 0.51772731419771 0.99708945031656 0.97480069263902 28.085 11 Si 0.98227268580229 0.00291054968344 0.47480069263902 28.085 12 Si 0.48383598533756 0.74811017392483 0.67962578955415 28.085 13 Si 0.98383598533756 0.75188982607517 0.32037421044585 28.085 14 Si 0.01772731419771 0.50291054968344 0.02519930736098 28.085 15 Si 0.51616401466244 0.24811017392483 0.82037421044585 28.085 16 Si 0.48227268580229 0.49708945031656 0.52519930736098 28.085 17 O 0.74864387309762 0.89437231971113 0.92419794496868 15.999 18 O 0.75135612690238 0.10562768028887 0.42419794496868 15.999 19 O 0.91227552537068 0.56852952488899 0.32183248844037 15.999 20 O 0.24686490767710 0.32518658125738 0.24716719355388 15.999 21 O 0.98962263046751 0.82184177022221 0.43785281550515 15.999 22 O 0.01037736953249 0.32184177022221 0.06214718449485 15.999 23 O 0.07100119719620 0.51582100295602 0.90268810845336 15.999 24 O 0.57100119719620 0.98417899704398 0.09731189154664 15.999 25 O 0.41227552537068 0.93147047511101 0.67816751155963 15.999 26 O 0.42899880280380 0.48417899704398 0.40268810845336 15.999 27 O 0.26191777632614 0.90375140010868 0.93870941938632 15.999 28 O 0.73808222367386 0.40375140010868 0.56129058061368 15.999 29 O 0.25135612690238 0.39437231971113 0.57580205503132 15.999 30 O 0.24864387309762 0.60562768028887 0.07580205503132 15.999 31 O 0.74557515448317 0.71509052346880 0.74064295182927 15.999 32 O 0.24557515448316 0.78490947653120 0.25935704817073 15.999 33 O 0.74686490767710 0.17481341874262 0.75283280644612 15.999 34 O 0.75313509232290 0.82518658125738 0.25283280644612 15.999 35 O 0.48962263046751 0.67815822977779 0.56214718449485 15.999 36 O 0.25442484551683 0.21509052346880 0.75935704817073 15.999 37 O 0.51037736953249 0.17815822977779 0.93785281550515 15.999 38 O 0.75442484551683 0.28490947653120 0.24064295182927 15.999 39 O 0.76191777632614 0.59624859989132 0.06129058061368 15.999 40 O 0.25313509232290 0.67481341874262 0.74716719355388 15.999 41 O 0.23808222367386 0.09624859989132 0.43870941938632 15.999 42 O 0.08772447462932 0.06852952488899 0.17816751155963 15.999 43 O 0.92899880280380 0.01582100295602 0.59731189154664 15.999 44 O 0.58772447462932 0.43147047511101 0.82183248844037 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.694195919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): 1 Nd 0.49213372744842 0.85286238680204 0.08902311082875 144.242 > 1 2 Nd 0.99213372744842 0.85286238680204 0.08902311082875 144.242 > 1 3 Nd 0.00786627255158 0.35286238680205 0.41097688917125 144.242 > 3 4 Nd 0.50786627255158 0.35286238680205 0.41097688917125 144.242 > 3 5 Nd 0.24213372744842 0.64713761319796 0.91097688917125 144.242 > 5 6 Nd 0.74213372744842 0.64713761319796 0.91097688917125 144.242 > 5 7 Nd 0.00610403506812 0.94703729417025 0.76952189950482 144.242 > 7 8 Nd 0.50610403506812 0.94703729417025 0.76952189950482 144.242 > 7 9 Nd 0.25610403506812 0.55296270582975 0.23047810049518 144.242 > 9 10 Nd 0.75610403506812 0.55296270582975 0.23047810049518 144.242 > 9 11 Nd 0.49389596493188 0.44703729417025 0.73047810049518 144.242 > 11 12 Nd 0.99389596493188 0.44703729417025 0.73047810049518 144.242 > 11 13 Nd 0.25786627255158 0.14713761319795 0.58902311082875 144.242 > 13 14 Nd 0.75786627255158 0.14713761319795 0.58902311082875 144.242 > 13 15 Nd 0.24389596493188 0.05296270582975 0.26952189950482 144.242 > 15 16 Nd 0.74389596493188 0.05296270582975 0.26952189950482 144.242 > 15 17 Si 0.00808200733122 0.25188982607518 0.17962578955415 28.085 > 17 18 Si 0.50808200733122 0.25188982607518 0.17962578955415 28.085 > 17 19 Si 0.25886365709886 0.99708945031656 0.97480069263902 28.085 > 19 20 Si 0.75886365709886 0.99708945031656 0.97480069263902 28.085 > 19 21 Si 0.49113634290114 0.00291054968344 0.47480069263902 28.085 > 21 22 Si 0.99113634290114 0.00291054968344 0.47480069263902 28.085 > 21 23 Si 0.24191799266878 0.74811017392483 0.67962578955415 28.085 > 23 24 Si 0.74191799266878 0.74811017392483 0.67962578955415 28.085 > 23 25 Si 0.49191799266878 0.75188982607517 0.32037421044585 28.085 > 25 26 Si 0.99191799266878 0.75188982607517 0.32037421044585 28.085 > 25 27 Si 0.00886365709886 0.50291054968344 0.02519930736098 28.085 > 27 28 Si 0.50886365709886 0.50291054968344 0.02519930736098 28.085 > 27 29 Si 0.25808200733122 0.24811017392483 0.82037421044585 28.085 > 29 30 Si 0.75808200733122 0.24811017392483 0.82037421044585 28.085 > 29 31 Si 0.24113634290114 0.49708945031656 0.52519930736098 28.085 > 31 32 Si 0.74113634290114 0.49708945031656 0.52519930736098 28.085 > 31 33 O 0.37432193654881 0.89437231971113 0.92419794496868 15.999 > 33 34 O 0.87432193654881 0.89437231971113 0.92419794496868 15.999 > 33 35 O 0.37567806345119 0.10562768028887 0.42419794496868 15.999 > 35 36 O 0.87567806345119 0.10562768028887 0.42419794496868 15.999 > 35 37 O 0.45613776268534 0.56852952488899 0.32183248844037 15.999 > 37 38 O 0.95613776268534 0.56852952488899 0.32183248844037 15.999 > 37 39 O 0.12343245383855 0.32518658125738 0.24716719355388 15.999 > 39 40 O 0.62343245383855 0.32518658125738 0.24716719355388 15.999 > 39 41 O 0.49481131523376 0.82184177022221 0.43785281550515 15.999 > 41 42 O 0.99481131523376 0.82184177022221 0.43785281550515 15.999 > 41 43 O 0.00518868476624 0.32184177022221 0.06214718449485 15.999 > 43 44 O 0.50518868476624 0.32184177022221 0.06214718449485 15.999 > 43 45 O 0.03550059859810 0.51582100295602 0.90268810845336 15.999 > 45 46 O 0.53550059859810 0.51582100295602 0.90268810845336 15.999 > 45 47 O 0.28550059859810 0.98417899704398 0.09731189154664 15.999 > 47 48 O 0.78550059859810 0.98417899704398 0.09731189154664 15.999 > 47 49 O 0.20613776268534 0.93147047511101 0.67816751155963 15.999 > 49 50 O 0.70613776268534 0.93147047511101 0.67816751155963 15.999 > 49 51 O 0.21449940140190 0.48417899704398 0.40268810845336 15.999 > 51 52 O 0.71449940140190 0.48417899704398 0.40268810845336 15.999 > 51 53 O 0.13095888816307 0.90375140010868 0.93870941938632 15.999 > 53 54 O 0.63095888816307 0.90375140010868 0.93870941938632 15.999 > 53 55 O 0.36904111183693 0.40375140010868 0.56129058061368 15.999 > 55 56 O 0.86904111183693 0.40375140010868 0.56129058061368 15.999 > 55 57 O 0.12567806345119 0.39437231971113 0.57580205503132 15.999 > 57 58 O 0.62567806345119 0.39437231971113 0.57580205503132 15.999 > 57 59 O 0.12432193654881 0.60562768028887 0.07580205503132 15.999 > 59 60 O 0.62432193654881 0.60562768028887 0.07580205503132 15.999 > 59 61 O 0.37278757724158 0.71509052346880 0.74064295182927 15.999 > 61 62 O 0.87278757724158 0.71509052346880 0.74064295182927 15.999 > 61 63 O 0.12278757724158 0.78490947653120 0.25935704817073 15.999 > 63 64 O 0.62278757724158 0.78490947653120 0.25935704817073 15.999 > 63 65 O 0.37343245383855 0.17481341874262 0.75283280644612 15.999 > 65 66 O 0.87343245383855 0.17481341874262 0.75283280644612 15.999 > 65 67 O 0.37656754616145 0.82518658125738 0.25283280644612 15.999 > 67 68 O 0.87656754616145 0.82518658125738 0.25283280644612 15.999 > 67 69 O 0.24481131523376 0.67815822977779 0.56214718449485 15.999 > 69 70 O 0.74481131523376 0.67815822977779 0.56214718449485 15.999 > 69 71 O 0.12721242275842 0.21509052346880 0.75935704817073 15.999 > 71 72 O 0.62721242275842 0.21509052346880 0.75935704817073 15.999 > 71 73 O 0.25518868476624 0.17815822977779 0.93785281550515 15.999 > 73 74 O 0.75518868476624 0.17815822977779 0.93785281550515 15.999 > 73 75 O 0.37721242275842 0.28490947653120 0.24064295182927 15.999 > 75 76 O 0.87721242275842 0.28490947653120 0.24064295182927 15.999 > 75 77 O 0.38095888816307 0.59624859989132 0.06129058061368 15.999 > 77 78 O 0.88095888816307 0.59624859989132 0.06129058061368 15.999 > 77 79 O 0.12656754616145 0.67481341874262 0.74716719355388 15.999 > 79 80 O 0.62656754616145 0.67481341874262 0.74716719355388 15.999 > 79 81 O 0.11904111183693 0.09624859989132 0.43870941938632 15.999 > 81 82 O 0.61904111183693 0.09624859989132 0.43870941938632 15.999 > 81 83 O 0.04386223731466 0.06852952488899 0.17816751155963 15.999 > 83 84 O 0.54386223731466 0.06852952488899 0.17816751155963 15.999 > 83 85 O 0.46449940140190 0.01582100295602 0.59731189154664 15.999 > 85 86 O 0.96449940140190 0.01582100295602 0.59731189154664 15.999 > 85 87 O 0.29386223731466 0.43147047511101 0.82183248844037 15.999 > 87 88 O 0.79386223731466 0.43147047511101 0.82183248844037 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4510693 0.0000000 0.0000000 0.0000000 3.4602564 0.0000000 0.0000000 0.0000000 3.4748395 -------------------------- Born effective charges -------------------------- 1 Nd 3.8076617 -0.0331694 0.0098510 -0.0479740 3.7374049 0.3556170 0.0162951 0.4237880 4.0887211 2 Nd 3.8076617 0.0331694 0.0098510 0.0479740 3.7374049 -0.3556170 0.0162951 -0.4237880 4.0887211 3 Nd 3.8076617 0.0331694 -0.0098510 0.0479740 3.7374049 0.3556170 -0.0162951 0.4237880 4.0887211 4 Nd 4.2184904 -0.0356693 -0.0504764 -0.0574594 4.0381916 -0.5709587 -0.1469960 -0.5667477 4.0008935 5 Nd 4.2184904 0.0356693 0.0504764 0.0574594 4.0381916 -0.5709587 0.1469960 -0.5667477 4.0008935 6 Nd 4.2184904 0.0356693 -0.0504764 0.0574594 4.0381916 0.5709587 -0.1469960 0.5667477 4.0008935 7 Nd 3.8076617 -0.0331694 -0.0098510 -0.0479740 3.7374049 -0.3556170 -0.0162951 -0.4237880 4.0887211 8 Nd 4.2184904 -0.0356693 0.0504764 -0.0574594 4.0381916 0.5709587 0.1469960 0.5667477 4.0008935 9 Si 2.9133510 -0.1803478 -0.0624373 -0.1132872 3.3597731 -0.3958175 -0.0242839 0.1014148 3.0151672 10 Si 2.8324836 -0.0000602 0.2640490 0.0198582 3.0855211 -0.0662518 0.2088032 -0.4270119 3.1442759 11 Si 2.8324836 -0.0000602 -0.2640490 0.0198582 3.0855211 0.0662518 -0.2088032 0.4270119 3.1442759 12 Si 2.9133510 -0.1803478 0.0624373 -0.1132872 3.3597731 0.3958175 0.0242839 -0.1014148 3.0151672 13 Si 2.9133510 0.1803478 -0.0624373 0.1132872 3.3597731 0.3958175 -0.0242839 -0.1014148 3.0151672 14 Si 2.8324836 0.0000602 -0.2640490 -0.0198582 3.0855211 -0.0662518 -0.2088032 -0.4270119 3.1442759 15 Si 2.9133510 0.1803478 0.0624373 0.1132872 3.3597731 -0.3958175 0.0242839 0.1014148 3.0151672 16 Si 2.8324836 0.0000602 0.2640490 -0.0198582 3.0855211 0.0662518 0.2088032 0.4270119 3.1442759 17 O -2.1525373 -0.0029973 0.1697551 0.0450543 -1.7115307 -0.0104873 0.1838421 0.0311563 -2.2509428 18 O -2.1525373 -0.0029973 -0.1697551 0.0450543 -1.7115307 0.0104873 -0.1838421 -0.0311563 -2.2509428 19 O -1.9064920 0.0130085 -0.3814822 -0.0306705 -2.9037656 0.5661074 -0.3387246 0.6023626 -1.5740430 20 O -2.1816802 -0.3141545 0.0459023 -0.3514222 -2.2274541 -0.0879343 -0.0895174 -0.1894191 -1.8277433 21 O -0.9937678 -0.0051469 0.0377535 0.0020055 -2.2214856 -0.9000849 0.0232389 -0.8638119 -2.0378704 22 O -0.9937678 0.0051469 0.0377535 -0.0020055 -2.2214856 0.9000849 0.0232389 0.8638119 -2.0378704 23 O -1.8710088 -0.2569832 0.0099356 -0.2948486 -1.2993702 -0.2815118 0.0547366 -0.2746335 -2.8474544 24 O -1.8710088 0.2569832 -0.0099356 0.2948486 -1.2993702 -0.2815118 -0.0547366 -0.2746335 -2.8474544 25 O -1.9064920 -0.0130085 0.3814822 0.0306705 -2.9037656 0.5661074 0.3387246 0.6023626 -1.5740430 26 O -1.8710088 -0.2569832 -0.0099356 -0.2948486 -1.2993702 0.2815118 -0.0547366 0.2746335 -2.8474544 27 O -2.3184663 -0.1743415 -0.1309595 -0.1484850 -1.7622121 -0.0157793 -0.0230243 -0.0021712 -2.1027146 28 O -2.3184663 0.1743415 -0.1309595 0.1484850 -1.7622121 0.0157793 -0.0230243 0.0021712 -2.1027146 29 O -2.1525373 0.0029973 0.1697551 -0.0450543 -1.7115307 0.0104873 0.1838421 -0.0311563 -2.2509428 30 O -2.1525373 0.0029973 -0.1697551 -0.0450543 -1.7115307 -0.0104873 -0.1838421 0.0311563 -2.2509428 31 O -2.3480344 0.0099391 -0.1901654 -0.1014078 -2.0950726 -0.0053294 -0.1906674 0.1208817 -1.6082890 32 O -2.3480344 -0.0099391 0.1901654 0.1014078 -2.0950726 -0.0053294 0.1906674 0.1208817 -1.6082890 33 O -2.1816802 0.3141545 -0.0459023 0.3514222 -2.2274541 -0.0879343 0.0895174 -0.1894191 -1.8277433 34 O -2.1816802 0.3141545 0.0459023 0.3514222 -2.2274541 0.0879343 -0.0895174 0.1894191 -1.8277433 35 O -0.9937678 0.0051469 -0.0377535 -0.0020055 -2.2214856 -0.9000849 -0.0232389 -0.8638119 -2.0378704 36 O -2.3480344 -0.0099391 -0.1901654 0.1014078 -2.0950726 0.0053294 -0.1906674 -0.1208817 -1.6082890 37 O -0.9937678 -0.0051469 -0.0377535 0.0020055 -2.2214856 0.9000849 -0.0232389 0.8638119 -2.0378704 38 O -2.3480344 0.0099391 0.1901654 -0.1014078 -2.0950726 0.0053294 0.1906674 -0.1208817 -1.6082890 39 O -2.3184663 0.1743415 0.1309595 0.1484850 -1.7622121 -0.0157793 0.0230243 -0.0021712 -2.1027146 40 O -2.1816802 -0.3141545 -0.0459023 -0.3514222 -2.2274541 0.0879343 0.0895174 0.1894191 -1.8277433 41 O -2.3184663 -0.1743415 0.1309595 -0.1484850 -1.7622121 0.0157793 0.0230243 0.0021712 -2.1027146 42 O -1.9064920 -0.0130085 -0.3814822 0.0306705 -2.9037656 -0.5661074 -0.3387246 -0.6023626 -1.5740430 43 O -1.8710088 0.2569832 0.0099356 0.2948486 -1.2993702 0.2815118 0.0547366 0.2746335 -2.8474544 44 O -1.9064920 0.0130085 0.3814822 -0.0306705 -2.9037656 -0.5661074 0.3387246 -0.6023626 -1.5740430 ---------------------------------------------------------------------------- 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[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, 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[ 37, 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[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, 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[ 53, 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[ 61, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:57:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:57:15]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.347097959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): 1 Nd 0.98426745489684 0.85286238680204 0.08902311082875 144.242 2 Nd 0.01573254510316 0.35286238680205 0.41097688917125 144.242 3 Nd 0.48426745489684 0.64713761319796 0.91097688917125 144.242 4 Nd 0.01220807013623 0.94703729417025 0.76952189950482 144.242 5 Nd 0.51220807013623 0.55296270582975 0.23047810049518 144.242 6 Nd 0.98779192986377 0.44703729417025 0.73047810049518 144.242 7 Nd 0.51573254510316 0.14713761319795 0.58902311082875 144.242 8 Nd 0.48779192986377 0.05296270582975 0.26952189950482 144.242 9 Si 0.01616401466244 0.25188982607518 0.17962578955415 28.085 10 Si 0.51772731419771 0.99708945031656 0.97480069263902 28.085 11 Si 0.98227268580229 0.00291054968344 0.47480069263902 28.085 12 Si 0.48383598533756 0.74811017392483 0.67962578955415 28.085 13 Si 0.98383598533756 0.75188982607517 0.32037421044585 28.085 14 Si 0.01772731419771 0.50291054968344 0.02519930736098 28.085 15 Si 0.51616401466244 0.24811017392483 0.82037421044585 28.085 16 Si 0.48227268580229 0.49708945031656 0.52519930736098 28.085 17 O 0.74864387309762 0.89437231971113 0.92419794496868 15.999 18 O 0.75135612690238 0.10562768028887 0.42419794496868 15.999 19 O 0.91227552537068 0.56852952488899 0.32183248844037 15.999 20 O 0.24686490767710 0.32518658125738 0.24716719355388 15.999 21 O 0.98962263046751 0.82184177022221 0.43785281550515 15.999 22 O 0.01037736953249 0.32184177022221 0.06214718449485 15.999 23 O 0.07100119719620 0.51582100295602 0.90268810845336 15.999 24 O 0.57100119719620 0.98417899704398 0.09731189154664 15.999 25 O 0.41227552537068 0.93147047511101 0.67816751155963 15.999 26 O 0.42899880280380 0.48417899704398 0.40268810845336 15.999 27 O 0.26191777632614 0.90375140010868 0.93870941938632 15.999 28 O 0.73808222367386 0.40375140010868 0.56129058061368 15.999 29 O 0.25135612690238 0.39437231971113 0.57580205503132 15.999 30 O 0.24864387309762 0.60562768028887 0.07580205503132 15.999 31 O 0.74557515448317 0.71509052346880 0.74064295182927 15.999 32 O 0.24557515448316 0.78490947653120 0.25935704817073 15.999 33 O 0.74686490767710 0.17481341874262 0.75283280644612 15.999 34 O 0.75313509232290 0.82518658125738 0.25283280644612 15.999 35 O 0.48962263046751 0.67815822977779 0.56214718449485 15.999 36 O 0.25442484551683 0.21509052346880 0.75935704817073 15.999 37 O 0.51037736953249 0.17815822977779 0.93785281550515 15.999 38 O 0.75442484551683 0.28490947653120 0.24064295182927 15.999 39 O 0.76191777632614 0.59624859989132 0.06129058061368 15.999 40 O 0.25313509232290 0.67481341874262 0.74716719355388 15.999 41 O 0.23808222367386 0.09624859989132 0.43870941938632 15.999 42 O 0.08772447462932 0.06852952488899 0.17816751155963 15.999 43 O 0.92899880280380 0.01582100295602 0.59731189154664 15.999 44 O 0.58772447462932 0.43147047511101 0.82183248844037 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.694195919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.575436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946034779999998 Atomic positions (fractional): 1 Nd 0.49213372744842 0.85286238680204 0.08902311082875 144.242 > 1 2 Nd 0.99213372744842 0.85286238680204 0.08902311082875 144.242 > 1 3 Nd 0.00786627255158 0.35286238680205 0.41097688917125 144.242 > 3 4 Nd 0.50786627255158 0.35286238680205 0.41097688917125 144.242 > 3 5 Nd 0.24213372744842 0.64713761319796 0.91097688917125 144.242 > 5 6 Nd 0.74213372744842 0.64713761319796 0.91097688917125 144.242 > 5 7 Nd 0.00610403506812 0.94703729417025 0.76952189950482 144.242 > 7 8 Nd 0.50610403506812 0.94703729417025 0.76952189950482 144.242 > 7 9 Nd 0.25610403506812 0.55296270582975 0.23047810049518 144.242 > 9 10 Nd 0.75610403506812 0.55296270582975 0.23047810049518 144.242 > 9 11 Nd 0.49389596493188 0.44703729417025 0.73047810049518 144.242 > 11 12 Nd 0.99389596493188 0.44703729417025 0.73047810049518 144.242 > 11 13 Nd 0.25786627255158 0.14713761319795 0.58902311082875 144.242 > 13 14 Nd 0.75786627255158 0.14713761319795 0.58902311082875 144.242 > 13 15 Nd 0.24389596493188 0.05296270582975 0.26952189950482 144.242 > 15 16 Nd 0.74389596493188 0.05296270582975 0.26952189950482 144.242 > 15 17 Si 0.00808200733122 0.25188982607518 0.17962578955415 28.085 > 17 18 Si 0.50808200733122 0.25188982607518 0.17962578955415 28.085 > 17 19 Si 0.25886365709886 0.99708945031656 0.97480069263902 28.085 > 19 20 Si 0.75886365709886 0.99708945031656 0.97480069263902 28.085 > 19 21 Si 0.49113634290114 0.00291054968344 0.47480069263902 28.085 > 21 22 Si 0.99113634290114 0.00291054968344 0.47480069263902 28.085 > 21 23 Si 0.24191799266878 0.74811017392483 0.67962578955415 28.085 > 23 24 Si 0.74191799266878 0.74811017392483 0.67962578955415 28.085 > 23 25 Si 0.49191799266878 0.75188982607517 0.32037421044585 28.085 > 25 26 Si 0.99191799266878 0.75188982607517 0.32037421044585 28.085 > 25 27 Si 0.00886365709886 0.50291054968344 0.02519930736098 28.085 > 27 28 Si 0.50886365709886 0.50291054968344 0.02519930736098 28.085 > 27 29 Si 0.25808200733122 0.24811017392483 0.82037421044585 28.085 > 29 30 Si 0.75808200733122 0.24811017392483 0.82037421044585 28.085 > 29 31 Si 0.24113634290114 0.49708945031656 0.52519930736098 28.085 > 31 32 Si 0.74113634290114 0.49708945031656 0.52519930736098 28.085 > 31 33 O 0.37432193654881 0.89437231971113 0.92419794496868 15.999 > 33 34 O 0.87432193654881 0.89437231971113 0.92419794496868 15.999 > 33 35 O 0.37567806345119 0.10562768028887 0.42419794496868 15.999 > 35 36 O 0.87567806345119 0.10562768028887 0.42419794496868 15.999 > 35 37 O 0.45613776268534 0.56852952488899 0.32183248844037 15.999 > 37 38 O 0.95613776268534 0.56852952488899 0.32183248844037 15.999 > 37 39 O 0.12343245383855 0.32518658125738 0.24716719355388 15.999 > 39 40 O 0.62343245383855 0.32518658125738 0.24716719355388 15.999 > 39 41 O 0.49481131523376 0.82184177022221 0.43785281550515 15.999 > 41 42 O 0.99481131523376 0.82184177022221 0.43785281550515 15.999 > 41 43 O 0.00518868476624 0.32184177022221 0.06214718449485 15.999 > 43 44 O 0.50518868476624 0.32184177022221 0.06214718449485 15.999 > 43 45 O 0.03550059859810 0.51582100295602 0.90268810845336 15.999 > 45 46 O 0.53550059859810 0.51582100295602 0.90268810845336 15.999 > 45 47 O 0.28550059859810 0.98417899704398 0.09731189154664 15.999 > 47 48 O 0.78550059859810 0.98417899704398 0.09731189154664 15.999 > 47 49 O 0.20613776268534 0.93147047511101 0.67816751155963 15.999 > 49 50 O 0.70613776268534 0.93147047511101 0.67816751155963 15.999 > 49 51 O 0.21449940140190 0.48417899704398 0.40268810845336 15.999 > 51 52 O 0.71449940140190 0.48417899704398 0.40268810845336 15.999 > 51 53 O 0.13095888816307 0.90375140010868 0.93870941938632 15.999 > 53 54 O 0.63095888816307 0.90375140010868 0.93870941938632 15.999 > 53 55 O 0.36904111183693 0.40375140010868 0.56129058061368 15.999 > 55 56 O 0.86904111183693 0.40375140010868 0.56129058061368 15.999 > 55 57 O 0.12567806345119 0.39437231971113 0.57580205503132 15.999 > 57 58 O 0.62567806345119 0.39437231971113 0.57580205503132 15.999 > 57 59 O 0.12432193654881 0.60562768028887 0.07580205503132 15.999 > 59 60 O 0.62432193654881 0.60562768028887 0.07580205503132 15.999 > 59 61 O 0.37278757724158 0.71509052346880 0.74064295182927 15.999 > 61 62 O 0.87278757724158 0.71509052346880 0.74064295182927 15.999 > 61 63 O 0.12278757724158 0.78490947653120 0.25935704817073 15.999 > 63 64 O 0.62278757724158 0.78490947653120 0.25935704817073 15.999 > 63 65 O 0.37343245383855 0.17481341874262 0.75283280644612 15.999 > 65 66 O 0.87343245383855 0.17481341874262 0.75283280644612 15.999 > 65 67 O 0.37656754616145 0.82518658125738 0.25283280644612 15.999 > 67 68 O 0.87656754616145 0.82518658125738 0.25283280644612 15.999 > 67 69 O 0.24481131523376 0.67815822977779 0.56214718449485 15.999 > 69 70 O 0.74481131523376 0.67815822977779 0.56214718449485 15.999 > 69 71 O 0.12721242275842 0.21509052346880 0.75935704817073 15.999 > 71 72 O 0.62721242275842 0.21509052346880 0.75935704817073 15.999 > 71 73 O 0.25518868476624 0.17815822977779 0.93785281550515 15.999 > 73 74 O 0.75518868476624 0.17815822977779 0.93785281550515 15.999 > 73 75 O 0.37721242275842 0.28490947653120 0.24064295182927 15.999 > 75 76 O 0.87721242275842 0.28490947653120 0.24064295182927 15.999 > 75 77 O 0.38095888816307 0.59624859989132 0.06129058061368 15.999 > 77 78 O 0.88095888816307 0.59624859989132 0.06129058061368 15.999 > 77 79 O 0.12656754616145 0.67481341874262 0.74716719355388 15.999 > 79 80 O 0.62656754616145 0.67481341874262 0.74716719355388 15.999 > 79 81 O 0.11904111183693 0.09624859989132 0.43870941938632 15.999 > 81 82 O 0.61904111183693 0.09624859989132 0.43870941938632 15.999 > 81 83 O 0.04386223731466 0.06852952488899 0.17816751155963 15.999 > 83 84 O 0.54386223731466 0.06852952488899 0.17816751155963 15.999 > 83 85 O 0.46449940140190 0.01582100295602 0.59731189154664 15.999 > 85 86 O 0.96449940140190 0.01582100295602 0.59731189154664 15.999 > 85 87 O 0.29386223731466 0.43147047511101 0.82183248844037 15.999 > 87 88 O 0.79386223731466 0.43147047511101 0.82183248844037 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4510693 0.0000000 0.0000000 0.0000000 3.4602564 0.0000000 0.0000000 0.0000000 3.4748395 -------------------------- Born effective charges -------------------------- 1 Nd 3.8076617 -0.0331694 0.0098510 -0.0479740 3.7374049 0.3556170 0.0162951 0.4237880 4.0887211 2 Nd 3.8076617 0.0331694 0.0098510 0.0479740 3.7374049 -0.3556170 0.0162951 -0.4237880 4.0887211 3 Nd 3.8076617 0.0331694 -0.0098510 0.0479740 3.7374049 0.3556170 -0.0162951 0.4237880 4.0887211 4 Nd 4.2184904 -0.0356693 -0.0504764 -0.0574594 4.0381916 -0.5709587 -0.1469960 -0.5667477 4.0008935 5 Nd 4.2184904 0.0356693 0.0504764 0.0574594 4.0381916 -0.5709587 0.1469960 -0.5667477 4.0008935 6 Nd 4.2184904 0.0356693 -0.0504764 0.0574594 4.0381916 0.5709587 -0.1469960 0.5667477 4.0008935 7 Nd 3.8076617 -0.0331694 -0.0098510 -0.0479740 3.7374049 -0.3556170 -0.0162951 -0.4237880 4.0887211 8 Nd 4.2184904 -0.0356693 0.0504764 -0.0574594 4.0381916 0.5709587 0.1469960 0.5667477 4.0008935 9 Si 2.9133510 -0.1803478 -0.0624373 -0.1132872 3.3597731 -0.3958175 -0.0242839 0.1014148 3.0151672 10 Si 2.8324836 -0.0000602 0.2640490 0.0198582 3.0855211 -0.0662518 0.2088032 -0.4270119 3.1442759 11 Si 2.8324836 -0.0000602 -0.2640490 0.0198582 3.0855211 0.0662518 -0.2088032 0.4270119 3.1442759 12 Si 2.9133510 -0.1803478 0.0624373 -0.1132872 3.3597731 0.3958175 0.0242839 -0.1014148 3.0151672 13 Si 2.9133510 0.1803478 -0.0624373 0.1132872 3.3597731 0.3958175 -0.0242839 -0.1014148 3.0151672 14 Si 2.8324836 0.0000602 -0.2640490 -0.0198582 3.0855211 -0.0662518 -0.2088032 -0.4270119 3.1442759 15 Si 2.9133510 0.1803478 0.0624373 0.1132872 3.3597731 -0.3958175 0.0242839 0.1014148 3.0151672 16 Si 2.8324836 0.0000602 0.2640490 -0.0198582 3.0855211 0.0662518 0.2088032 0.4270119 3.1442759 17 O -2.1525373 -0.0029973 0.1697551 0.0450543 -1.7115307 -0.0104873 0.1838421 0.0311563 -2.2509428 18 O -2.1525373 -0.0029973 -0.1697551 0.0450543 -1.7115307 0.0104873 -0.1838421 -0.0311563 -2.2509428 19 O -1.9064920 0.0130085 -0.3814822 -0.0306705 -2.9037656 0.5661074 -0.3387246 0.6023626 -1.5740430 20 O -2.1816802 -0.3141545 0.0459023 -0.3514222 -2.2274541 -0.0879343 -0.0895174 -0.1894191 -1.8277433 21 O -0.9937678 -0.0051469 0.0377535 0.0020055 -2.2214856 -0.9000849 0.0232389 -0.8638119 -2.0378704 22 O -0.9937678 0.0051469 0.0377535 -0.0020055 -2.2214856 0.9000849 0.0232389 0.8638119 -2.0378704 23 O -1.8710088 -0.2569832 0.0099356 -0.2948486 -1.2993702 -0.2815118 0.0547366 -0.2746335 -2.8474544 24 O -1.8710088 0.2569832 -0.0099356 0.2948486 -1.2993702 -0.2815118 -0.0547366 -0.2746335 -2.8474544 25 O -1.9064920 -0.0130085 0.3814822 0.0306705 -2.9037656 0.5661074 0.3387246 0.6023626 -1.5740430 26 O -1.8710088 -0.2569832 -0.0099356 -0.2948486 -1.2993702 0.2815118 -0.0547366 0.2746335 -2.8474544 27 O -2.3184663 -0.1743415 -0.1309595 -0.1484850 -1.7622121 -0.0157793 -0.0230243 -0.0021712 -2.1027146 28 O -2.3184663 0.1743415 -0.1309595 0.1484850 -1.7622121 0.0157793 -0.0230243 0.0021712 -2.1027146 29 O -2.1525373 0.0029973 0.1697551 -0.0450543 -1.7115307 0.0104873 0.1838421 -0.0311563 -2.2509428 30 O -2.1525373 0.0029973 -0.1697551 -0.0450543 -1.7115307 -0.0104873 -0.1838421 0.0311563 -2.2509428 31 O -2.3480344 0.0099391 -0.1901654 -0.1014078 -2.0950726 -0.0053294 -0.1906674 0.1208817 -1.6082890 32 O -2.3480344 -0.0099391 0.1901654 0.1014078 -2.0950726 -0.0053294 0.1906674 0.1208817 -1.6082890 33 O -2.1816802 0.3141545 -0.0459023 0.3514222 -2.2274541 -0.0879343 0.0895174 -0.1894191 -1.8277433 34 O -2.1816802 0.3141545 0.0459023 0.3514222 -2.2274541 0.0879343 -0.0895174 0.1894191 -1.8277433 35 O -0.9937678 0.0051469 -0.0377535 -0.0020055 -2.2214856 -0.9000849 -0.0232389 -0.8638119 -2.0378704 36 O -2.3480344 -0.0099391 -0.1901654 0.1014078 -2.0950726 0.0053294 -0.1906674 -0.1208817 -1.6082890 37 O -0.9937678 -0.0051469 -0.0377535 0.0020055 -2.2214856 0.9000849 -0.0232389 0.8638119 -2.0378704 38 O -2.3480344 0.0099391 0.1901654 -0.1014078 -2.0950726 0.0053294 0.1906674 -0.1208817 -1.6082890 39 O -2.3184663 0.1743415 0.1309595 0.1484850 -1.7622121 -0.0157793 0.0230243 -0.0021712 -2.1027146 40 O -2.1816802 -0.3141545 -0.0459023 -0.3514222 -2.2274541 0.0879343 0.0895174 0.1894191 -1.8277433 41 O -2.3184663 -0.1743415 0.1309595 -0.1484850 -1.7622121 0.0157793 0.0230243 0.0021712 -2.1027146 42 O -1.9064920 -0.0130085 -0.3814822 0.0306705 -2.9037656 -0.5661074 -0.3387246 -0.6023626 -1.5740430 43 O -1.8710088 0.2569832 0.0099356 0.2948486 -1.2993702 0.2815118 0.0547366 0.2746335 -2.8474544 44 O -1.9064920 0.0130085 0.3814822 -0.0306705 -2.9037656 -0.5661074 0.3387246 -0.6023626 -1.5740430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 6 4 ] 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: 0.49, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.790 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 12.865 ( 0.000 0.000 0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.455 ( 0.000 0.000 0.000) 0.000 13.460 ( 0.000 0.000 0.000) 0.000 13.613 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.443 ( 0.000 0.000 0.000) 0.000 14.524 ( 0.000 0.000 0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 14.809 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.622 ( 0.000 0.000 0.000) 0.000 15.757 ( 0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.841 ( 0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 21.518 ( 0.000 0.000 0.000) 0.000 21.591 ( 0.000 0.000 0.000) 0.000 21.706 ( 0.000 0.000 0.000) 0.000 21.838 ( 0.000 0.000 0.000) 0.000 24.898 ( 0.000 0.000 0.000) 0.000 24.970 ( 0.000 0.000 0.000) 0.000 25.050 ( 0.000 0.000 0.000) 0.000 25.133 ( 0.000 0.000 0.000) 0.000 25.429 ( 0.000 0.000 0.000) 0.000 25.570 ( 0.000 0.000 0.000) 0.000 25.596 ( 0.000 0.000 0.000) 0.000 25.711 ( 0.000 0.000 0.000) 0.000 26.738 ( 0.000 0.000 0.000) 0.000 26.799 ( 0.000 0.000 0.000) 0.000 26.877 ( 0.000 0.000 0.000) 0.000 26.887 ( 0.000 0.000 0.000) 0.000 26.955 ( 0.000 0.000 0.000) 0.000 27.653 ( 0.000 0.000 0.000) 0.000 27.715 ( 0.000 0.000 0.000) 0.000 28.423 ( 0.000 0.000 0.000) 0.000 28.633 ( 0.000 0.000 0.000) 0.000 28.810 ( 0.000 0.000 0.000) 0.000 29.098 ( 0.000 0.000 0.000) 0.000 29.322 ( 0.000 0.000 0.000) 0.000 29.567 ( 0.000 0.000 0.000) 0.000 29.630 ( 0.000 0.000 0.000) 0.000 29.783 ( 0.000 0.000 0.000) 0.000 29.952 ( 0.000 0.000 0.000) 0.000 31.241 ( 0.000 0.000 0.000) 0.000 31.488 ( 0.000 0.000 0.000) 0.000 31.675 ( 0.000 0.000 0.000) 0.000 32.236 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 27.505 0.000 0.000) 27.505 0.641 ( 31.137 0.000 0.000) 31.137 1.164 ( 50.727 0.000 0.000) 50.727 1.836 ( 5.296 0.000 0.000) 5.296 2.022 ( -15.925 0.000 0.000) 15.925 2.317 ( -0.247 0.000 0.000) 0.247 2.340 ( 15.968 0.000 0.000) 15.968 2.614 ( -0.096 0.000 0.000) 0.096 2.720 ( -5.616 0.000 0.000) 5.616 2.813 ( 10.198 0.000 0.000) 10.198 2.859 ( 8.122 0.000 0.000) 8.122 3.056 ( -2.102 0.000 0.000) 2.102 3.128 ( 0.319 0.000 0.000) 0.319 3.176 ( -0.160 0.000 0.000) 0.160 3.281 ( -0.018 0.000 0.000) 0.018 3.303 ( 0.966 0.000 0.000) 0.966 3.373 ( -3.588 0.000 0.000) 3.588 3.400 ( -3.485 0.000 0.000) 3.485 3.577 ( 7.222 0.000 0.000) 7.222 3.740 ( 4.079 0.000 0.000) 4.079 3.837 ( 3.472 0.000 0.000) 3.472 3.864 ( -7.283 0.000 0.000) 7.283 3.990 ( 11.294 0.000 0.000) 11.294 3.995 ( 5.084 0.000 0.000) 5.084 4.072 ( 4.041 0.000 0.000) 4.041 4.295 ( 2.827 0.000 0.000) 2.827 4.370 ( 0.911 0.000 0.000) 0.911 4.529 ( -6.102 0.000 0.000) 6.102 4.562 ( -0.277 0.000 0.000) 0.277 4.582 ( 4.956 0.000 0.000) 4.956 4.784 ( 7.155 0.000 0.000) 7.155 4.881 ( 7.618 0.000 0.000) 7.618 5.002 ( 15.948 0.000 0.000) 15.948 5.180 ( 16.288 0.000 0.000) 16.288 5.281 ( 2.881 0.000 0.000) 2.881 5.426 ( 7.318 0.000 0.000) 7.318 5.587 ( -5.290 0.000 0.000) 5.290 5.672 ( -4.605 0.000 0.000) 4.605 5.885 ( 8.714 0.000 0.000) 8.714 5.912 ( -0.329 0.000 0.000) 0.329 6.231 ( 7.715 0.000 0.000) 7.715 6.276 ( 8.214 0.000 0.000) 8.214 6.410 ( 0.542 0.000 0.000) 0.542 6.455 ( 3.789 0.000 0.000) 3.789 6.600 ( 8.037 0.000 0.000) 8.037 6.608 ( -1.485 0.000 0.000) 1.485 6.660 ( -3.927 0.000 0.000) 3.927 6.901 ( 11.737 0.000 0.000) 11.737 6.964 ( 4.569 0.000 0.000) 4.569 7.282 ( 14.864 0.000 0.000) 14.864 7.316 ( 14.468 0.000 0.000) 14.468 7.551 ( 1.904 0.000 0.000) 1.904 7.885 ( 4.898 0.000 0.000) 4.898 7.947 ( -3.467 0.000 0.000) 3.467 8.017 ( 2.895 0.000 0.000) 2.895 8.062 ( 5.058 0.000 0.000) 5.058 8.407 ( -4.764 0.000 0.000) 4.764 8.665 ( 6.266 0.000 0.000) 6.266 8.782 ( -1.794 0.000 0.000) 1.794 8.872 ( -1.368 0.000 0.000) 1.368 9.020 ( -2.328 0.000 0.000) 2.328 9.148 ( -4.960 0.000 0.000) 4.960 9.254 ( -1.710 0.000 0.000) 1.710 9.350 ( -2.279 0.000 0.000) 2.279 9.607 ( -5.562 0.000 0.000) 5.562 9.700 ( -5.315 0.000 0.000) 5.315 9.921 ( 4.859 0.000 0.000) 4.859 10.018 ( 4.775 0.000 0.000) 4.775 10.045 ( 1.406 0.000 0.000) 1.406 10.055 ( 0.159 0.000 0.000) 0.159 10.252 ( -1.914 0.000 0.000) 1.914 10.682 ( -11.044 0.000 0.000) 11.044 11.493 ( -0.894 0.000 0.000) 0.894 11.852 ( 14.189 0.000 0.000) 14.189 12.118 ( -2.051 0.000 0.000) 2.051 12.295 ( 1.447 0.000 0.000) 1.447 12.802 ( -1.920 0.000 0.000) 1.920 12.896 ( 3.966 0.000 0.000) 3.966 12.954 ( 3.063 0.000 0.000) 3.063 13.091 ( -11.768 0.000 0.000) 11.768 13.313 ( -4.334 0.000 0.000) 4.334 13.464 ( 0.762 0.000 0.000) 0.762 13.564 ( 3.612 0.000 0.000) 3.612 13.590 ( -1.945 0.000 0.000) 1.945 14.100 ( 4.465 0.000 0.000) 4.465 14.228 ( -0.633 0.000 0.000) 0.633 14.323 ( -3.771 0.000 0.000) 3.771 14.330 ( 2.440 0.000 0.000) 2.440 14.504 ( -1.885 0.000 0.000) 1.885 14.674 ( 1.073 0.000 0.000) 1.073 14.882 ( 4.883 0.000 0.000) 4.883 15.106 ( 1.126 0.000 0.000) 1.126 15.165 ( -3.164 0.000 0.000) 3.164 15.606 ( -1.436 0.000 0.000) 1.436 15.761 ( 0.027 0.000 0.000) 0.027 16.015 ( -5.785 0.000 0.000) 5.785 16.237 ( -1.722 0.000 0.000) 1.722 16.272 ( -5.502 0.000 0.000) 5.502 16.865 ( -6.092 0.000 0.000) 6.092 16.874 ( -4.928 0.000 0.000) 4.928 21.499 ( -1.552 0.000 0.000) 1.552 21.589 ( -0.299 0.000 0.000) 0.299 21.696 ( -3.457 0.000 0.000) 3.457 21.827 ( -1.204 0.000 0.000) 1.204 25.059 ( 0.656 0.000 0.000) 0.656 25.065 ( 4.575 0.000 0.000) 4.575 25.089 ( -3.471 0.000 0.000) 3.471 25.159 ( 1.681 0.000 0.000) 1.681 25.532 ( 7.378 0.000 0.000) 7.378 25.614 ( 4.629 0.000 0.000) 4.629 25.758 ( 4.640 0.000 0.000) 4.640 25.761 ( 7.124 0.000 0.000) 7.124 26.804 ( 0.881 0.000 0.000) 0.881 26.895 ( 0.951 0.000 0.000) 0.951 26.947 ( 5.186 0.000 0.000) 5.186 27.005 ( 4.844 0.000 0.000) 4.844 27.664 ( -4.649 0.000 0.000) 4.649 27.721 ( 6.204 0.000 0.000) 6.204 28.321 ( -8.759 0.000 0.000) 8.759 28.500 ( -5.580 0.000 0.000) 5.580 28.717 ( 4.256 0.000 0.000) 4.256 28.808 ( -0.178 0.000 0.000) 0.178 29.248 ( 0.221 0.000 0.000) 0.221 29.312 ( -0.871 0.000 0.000) 0.871 29.536 ( -2.719 0.000 0.000) 2.719 29.624 ( -0.704 0.000 0.000) 0.704 29.814 ( 2.882 0.000 0.000) 2.882 30.187 ( -0.333 0.000 0.000) 0.333 31.233 ( -0.651 0.000 0.000) 0.651 31.463 ( -2.291 0.000 0.000) 2.291 31.638 ( -4.369 0.000 0.000) 4.369 32.135 ( -9.114 0.000 0.000) 9.114 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 23.758 0.000 0.000) 23.758 1.289 ( 30.830 0.000 0.000) 30.830 1.738 ( -10.297 0.000 0.000) 10.297 1.860 ( 11.245 0.000 0.000) 11.245 2.123 ( 21.185 0.000 0.000) 21.185 2.297 ( 2.111 0.000 0.000) 2.111 2.447 ( -4.776 0.000 0.000) 4.776 2.627 ( -2.591 0.000 0.000) 2.591 2.639 ( 1.388 0.000 0.000) 1.388 2.909 ( -3.937 0.000 0.000) 3.937 2.927 ( -8.789 0.000 0.000) 8.789 2.991 ( 3.561 0.000 0.000) 3.561 3.149 ( -2.194 0.000 0.000) 2.194 3.152 ( -8.382 0.000 0.000) 8.382 3.233 ( 3.183 0.000 0.000) 3.183 3.270 ( 3.050 0.000 0.000) 3.050 3.366 ( -0.845 0.000 0.000) 0.845 3.474 ( 5.541 0.000 0.000) 5.541 3.701 ( -7.540 0.000 0.000) 7.540 3.711 ( 6.318 0.000 0.000) 6.318 3.772 ( 0.359 0.000 0.000) 0.359 3.867 ( -0.087 0.000 0.000) 0.087 4.055 ( -0.910 0.000 0.000) 0.910 4.100 ( 1.590 0.000 0.000) 1.590 4.275 ( 10.578 0.000 0.000) 10.578 4.326 ( -0.340 0.000 0.000) 0.340 4.478 ( 5.312 0.000 0.000) 5.312 4.497 ( -4.030 0.000 0.000) 4.030 4.525 ( 9.799 0.000 0.000) 9.799 4.796 ( 11.825 0.000 0.000) 11.825 4.896 ( 3.116 0.000 0.000) 3.116 5.093 ( 9.208 0.000 0.000) 9.208 5.268 ( 0.689 0.000 0.000) 0.689 5.358 ( 16.769 0.000 0.000) 16.769 5.544 ( 0.792 0.000 0.000) 0.792 5.583 ( 9.597 0.000 0.000) 9.597 5.603 ( 8.594 0.000 0.000) 8.594 5.679 ( 12.653 0.000 0.000) 12.653 5.904 ( 0.789 0.000 0.000) 0.789 5.932 ( -1.558 0.000 0.000) 1.558 6.348 ( -0.305 0.000 0.000) 0.305 6.432 ( 3.626 0.000 0.000) 3.626 6.498 ( 3.309 0.000 0.000) 3.309 6.557 ( 6.913 0.000 0.000) 6.913 6.701 ( 16.579 0.000 0.000) 16.579 6.753 ( 20.866 0.000 0.000) 20.866 6.994 ( 20.441 0.000 0.000) 20.441 7.154 ( 14.098 0.000 0.000) 14.098 7.212 ( 15.559 0.000 0.000) 15.559 7.565 ( 11.155 0.000 0.000) 11.155 7.568 ( 10.768 0.000 0.000) 10.768 7.669 ( 11.294 0.000 0.000) 11.294 7.913 ( 1.495 0.000 0.000) 1.495 8.003 ( 4.643 0.000 0.000) 4.643 8.079 ( 2.483 0.000 0.000) 2.483 8.271 ( 13.022 0.000 0.000) 13.022 8.301 ( -3.085 0.000 0.000) 3.085 8.725 ( -2.385 0.000 0.000) 2.385 8.782 ( 2.919 0.000 0.000) 2.919 8.867 ( 0.910 0.000 0.000) 0.910 8.921 ( -6.534 0.000 0.000) 6.534 9.050 ( -3.822 0.000 0.000) 3.822 9.222 ( -0.997 0.000 0.000) 0.997 9.323 ( -0.077 0.000 0.000) 0.077 9.462 ( -7.321 0.000 0.000) 7.321 9.588 ( -5.498 0.000 0.000) 5.498 10.013 ( 2.390 0.000 0.000) 2.390 10.029 ( -5.688 0.000 0.000) 5.688 10.063 ( 2.113 0.000 0.000) 2.113 10.085 ( 3.305 0.000 0.000) 3.305 10.259 ( 2.533 0.000 0.000) 2.533 10.434 ( -11.436 0.000 0.000) 11.436 11.485 ( 0.260 0.000 0.000) 0.260 12.058 ( -4.035 0.000 0.000) 4.035 12.161 ( 14.097 0.000 0.000) 14.097 12.318 ( 0.723 0.000 0.000) 0.723 12.734 ( -3.902 0.000 0.000) 3.902 12.816 ( -13.356 0.000 0.000) 13.356 12.966 ( 0.253 0.000 0.000) 0.253 13.065 ( 8.349 0.000 0.000) 8.349 13.230 ( -3.974 0.000 0.000) 3.974 13.481 ( 0.661 0.000 0.000) 0.661 13.565 ( 0.541 0.000 0.000) 0.541 13.612 ( 1.156 0.000 0.000) 1.156 14.107 ( -2.413 0.000 0.000) 2.413 14.209 ( -1.508 0.000 0.000) 1.508 14.221 ( -5.718 0.000 0.000) 5.718 14.460 ( -2.609 0.000 0.000) 2.609 14.484 ( 10.896 0.000 0.000) 10.896 14.722 ( 2.940 0.000 0.000) 2.940 14.961 ( 2.523 0.000 0.000) 2.523 15.130 ( 1.019 0.000 0.000) 1.019 15.136 ( 1.649 0.000 0.000) 1.649 15.568 ( -2.088 0.000 0.000) 2.088 15.734 ( -3.457 0.000 0.000) 3.457 15.856 ( -8.727 0.000 0.000) 8.727 16.155 ( -4.692 0.000 0.000) 4.692 16.191 ( -2.454 0.000 0.000) 2.454 16.700 ( -9.163 0.000 0.000) 9.163 16.731 ( -8.518 0.000 0.000) 8.518 21.465 ( -1.463 0.000 0.000) 1.463 21.580 ( -0.410 0.000 0.000) 0.410 21.613 ( -4.146 0.000 0.000) 4.146 21.786 ( -2.669 0.000 0.000) 2.669 24.976 ( -3.772 0.000 0.000) 3.772 25.065 ( -0.195 0.000 0.000) 0.195 25.166 ( -1.244 0.000 0.000) 1.244 25.168 ( 1.144 0.000 0.000) 1.144 25.739 ( 12.471 0.000 0.000) 12.471 25.772 ( 10.192 0.000 0.000) 10.192 25.899 ( 8.431 0.000 0.000) 8.431 25.963 ( 11.019 0.000 0.000) 11.019 26.832 ( 1.383 0.000 0.000) 1.383 26.925 ( 2.616 0.000 0.000) 2.616 27.060 ( 4.424 0.000 0.000) 4.424 27.132 ( 6.740 0.000 0.000) 6.740 27.542 ( -6.238 0.000 0.000) 6.238 27.883 ( 8.572 0.000 0.000) 8.572 28.070 ( -14.540 0.000 0.000) 14.540 28.394 ( -4.570 0.000 0.000) 4.570 28.794 ( 3.086 0.000 0.000) 3.086 28.807 ( 0.176 0.000 0.000) 0.176 29.253 ( 0.208 0.000 0.000) 0.208 29.292 ( -0.895 0.000 0.000) 0.895 29.467 ( -3.575 0.000 0.000) 3.575 29.592 ( -2.523 0.000 0.000) 2.523 29.898 ( 5.054 0.000 0.000) 5.054 30.187 ( 0.432 0.000 0.000) 0.432 31.220 ( -0.437 0.000 0.000) 0.437 31.401 ( -3.362 0.000 0.000) 3.362 31.524 ( -6.146 0.000 0.000) 6.146 31.897 ( -12.831 0.000 0.000) 12.831 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 9.020 0.000 0.000) 9.020 1.649 ( 8.089 0.000 0.000) 8.089 1.908 ( 27.516 0.000 0.000) 27.516 2.001 ( 4.784 0.000 0.000) 4.784 2.144 ( -7.526 0.000 0.000) 7.526 2.355 ( -1.977 0.000 0.000) 1.977 2.478 ( 0.818 0.000 0.000) 0.818 2.535 ( -6.012 0.000 0.000) 6.012 2.595 ( -9.646 0.000 0.000) 9.646 2.758 ( -1.087 0.000 0.000) 1.087 2.868 ( 0.115 0.000 0.000) 0.115 2.920 ( -7.900 0.000 0.000) 7.900 3.053 ( -2.001 0.000 0.000) 2.001 3.059 ( -5.458 0.000 0.000) 5.458 3.213 ( -4.648 0.000 0.000) 4.648 3.280 ( -4.847 0.000 0.000) 4.847 3.385 ( 3.254 0.000 0.000) 3.254 3.532 ( 0.569 0.000 0.000) 0.569 3.611 ( 0.436 0.000 0.000) 0.436 3.807 ( -0.219 0.000 0.000) 0.219 3.820 ( 4.719 0.000 0.000) 4.719 3.875 ( 3.350 0.000 0.000) 3.350 4.061 ( -2.185 0.000 0.000) 2.185 4.068 ( 2.684 0.000 0.000) 2.684 4.308 ( -2.357 0.000 0.000) 2.357 4.354 ( -3.808 0.000 0.000) 3.808 4.495 ( 5.302 0.000 0.000) 5.302 4.595 ( 4.575 0.000 0.000) 4.575 4.754 ( 10.155 0.000 0.000) 10.155 4.934 ( -0.400 0.000 0.000) 0.400 4.950 ( 2.748 0.000 0.000) 2.748 5.170 ( -0.673 0.000 0.000) 0.673 5.312 ( 1.759 0.000 0.000) 1.759 5.399 ( -9.054 0.000 0.000) 9.054 5.700 ( 4.032 0.000 0.000) 4.032 5.702 ( 10.143 0.000 0.000) 10.143 5.827 ( 7.579 0.000 0.000) 7.579 5.924 ( 5.334 0.000 0.000) 5.334 5.927 ( 6.852 0.000 0.000) 6.852 6.062 ( 13.542 0.000 0.000) 13.542 6.425 ( 9.868 0.000 0.000) 9.868 6.516 ( 2.463 0.000 0.000) 2.463 6.550 ( 6.381 0.000 0.000) 6.381 6.725 ( 6.683 0.000 0.000) 6.683 7.075 ( 14.827 0.000 0.000) 14.827 7.214 ( 18.849 0.000 0.000) 18.849 7.323 ( 10.461 0.000 0.000) 10.461 7.493 ( 14.503 0.000 0.000) 14.503 7.527 ( 14.615 0.000 0.000) 14.615 7.773 ( 9.376 0.000 0.000) 9.376 7.819 ( 11.990 0.000 0.000) 11.990 7.859 ( 4.221 0.000 0.000) 4.221 8.062 ( 3.345 0.000 0.000) 3.345 8.105 ( 10.132 0.000 0.000) 10.132 8.139 ( 10.018 0.000 0.000) 10.018 8.302 ( 4.282 0.000 0.000) 4.282 8.532 ( 8.696 0.000 0.000) 8.696 8.689 ( -1.020 0.000 0.000) 1.020 8.758 ( -6.652 0.000 0.000) 6.652 8.772 ( -3.440 0.000 0.000) 3.440 8.924 ( 2.503 0.000 0.000) 2.503 8.988 ( -2.526 0.000 0.000) 2.526 9.236 ( 2.984 0.000 0.000) 2.984 9.330 ( -0.377 0.000 0.000) 0.377 9.345 ( -3.531 0.000 0.000) 3.531 9.500 ( -1.549 0.000 0.000) 1.549 9.861 ( -9.178 0.000 0.000) 9.178 9.975 ( -7.032 0.000 0.000) 7.032 10.123 ( 3.380 0.000 0.000) 3.380 10.151 ( 2.417 0.000 0.000) 2.417 10.290 ( -1.158 0.000 0.000) 1.158 10.295 ( 0.574 0.000 0.000) 0.574 11.513 ( 2.650 0.000 0.000) 2.650 11.936 ( -7.660 0.000 0.000) 7.660 12.325 ( -0.155 0.000 0.000) 0.155 12.383 ( 5.278 0.000 0.000) 5.278 12.585 ( -6.796 0.000 0.000) 6.796 12.658 ( -3.178 0.000 0.000) 3.178 12.948 ( -0.475 0.000 0.000) 0.475 13.143 ( -4.414 0.000 0.000) 4.414 13.240 ( 7.476 0.000 0.000) 7.476 13.484 ( -0.647 0.000 0.000) 0.647 13.622 ( 4.270 0.000 0.000) 4.270 13.626 ( 0.712 0.000 0.000) 0.712 14.052 ( -2.365 0.000 0.000) 2.365 14.098 ( -5.788 0.000 0.000) 5.788 14.179 ( -1.031 0.000 0.000) 1.031 14.371 ( -5.892 0.000 0.000) 5.892 14.713 ( 10.135 0.000 0.000) 10.135 14.794 ( 4.061 0.000 0.000) 4.061 15.036 ( 5.562 0.000 0.000) 5.562 15.168 ( 1.281 0.000 0.000) 1.281 15.186 ( 3.125 0.000 0.000) 3.125 15.524 ( -1.975 0.000 0.000) 1.975 15.599 ( -8.802 0.000 0.000) 8.802 15.685 ( -7.520 0.000 0.000) 7.520 16.102 ( -0.562 0.000 0.000) 0.562 16.146 ( -1.659 0.000 0.000) 1.659 16.509 ( -8.605 0.000 0.000) 8.605 16.541 ( -9.078 0.000 0.000) 9.078 21.444 ( -0.526 0.000 0.000) 0.526 21.533 ( -3.413 0.000 0.000) 3.413 21.579 ( 0.428 0.000 0.000) 0.428 21.721 ( -3.373 0.000 0.000) 3.373 24.931 ( -0.578 0.000 0.000) 0.578 25.050 ( -1.331 0.000 0.000) 1.331 25.120 ( -2.535 0.000 0.000) 2.535 25.149 ( -1.980 0.000 0.000) 1.980 25.991 ( 10.503 0.000 0.000) 10.503 26.002 ( 10.805 0.000 0.000) 10.805 26.079 ( 8.265 0.000 0.000) 8.265 26.176 ( 8.683 0.000 0.000) 8.683 26.852 ( 0.742 0.000 0.000) 0.742 27.017 ( 6.236 0.000 0.000) 6.236 27.075 ( -3.524 0.000 0.000) 3.524 27.268 ( 6.117 0.000 0.000) 6.117 27.449 ( -2.248 0.000 0.000) 2.248 27.752 ( -15.379 0.000 0.000) 15.379 28.049 ( 6.999 0.000 0.000) 6.999 28.310 ( -3.519 0.000 0.000) 3.519 28.818 ( 0.878 0.000 0.000) 0.878 28.841 ( 1.437 0.000 0.000) 1.437 29.256 ( 0.137 0.000 0.000) 0.137 29.280 ( -0.290 0.000 0.000) 0.290 29.402 ( -2.263 0.000 0.000) 2.263 29.523 ( -3.906 0.000 0.000) 3.906 30.015 ( 5.886 0.000 0.000) 5.886 30.201 ( 0.510 0.000 0.000) 0.510 31.226 ( 1.237 0.000 0.000) 1.237 31.335 ( -2.736 0.000 0.000) 2.736 31.403 ( -5.033 0.000 0.000) 5.033 31.636 ( -11.668 0.000 0.000) 11.668 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 8.503 0.000 0.000) 8.503 1.889 ( -14.162 0.000 0.000) 14.162 1.942 ( 13.644 0.000 0.000) 13.644 2.088 ( 1.532 0.000 0.000) 1.532 2.307 ( 0.251 0.000 0.000) 0.251 2.354 ( -10.085 0.000 0.000) 10.085 2.426 ( 7.308 0.000 0.000) 7.308 2.462 ( 10.374 0.000 0.000) 10.374 2.472 ( -0.347 0.000 0.000) 0.347 2.696 ( -4.858 0.000 0.000) 4.858 2.776 ( -4.637 0.000 0.000) 4.637 2.824 ( -7.965 0.000 0.000) 7.965 2.971 ( -0.282 0.000 0.000) 0.282 3.007 ( -2.516 0.000 0.000) 2.516 3.133 ( -1.200 0.000 0.000) 1.200 3.172 ( -4.185 0.000 0.000) 4.185 3.449 ( 3.076 0.000 0.000) 3.076 3.511 ( -2.392 0.000 0.000) 2.392 3.678 ( 4.187 0.000 0.000) 4.187 3.756 ( -3.284 0.000 0.000) 3.284 3.937 ( 4.679 0.000 0.000) 4.679 3.956 ( 2.843 0.000 0.000) 2.843 4.085 ( 4.418 0.000 0.000) 4.418 4.121 ( 1.438 0.000 0.000) 1.438 4.226 ( -4.195 0.000 0.000) 4.195 4.249 ( -5.468 0.000 0.000) 5.468 4.608 ( 4.695 0.000 0.000) 4.695 4.648 ( 0.669 0.000 0.000) 0.669 4.881 ( -1.181 0.000 0.000) 1.181 4.922 ( 0.981 0.000 0.000) 0.981 4.977 ( 3.860 0.000 0.000) 3.860 5.111 ( -5.020 0.000 0.000) 5.020 5.256 ( -2.200 0.000 0.000) 2.200 5.284 ( -3.185 0.000 0.000) 3.185 5.754 ( 1.853 0.000 0.000) 1.853 5.797 ( -2.650 0.000 0.000) 2.650 5.872 ( 6.580 0.000 0.000) 6.580 5.971 ( -2.310 0.000 0.000) 2.310 6.168 ( 9.713 0.000 0.000) 9.713 6.266 ( 1.860 0.000 0.000) 1.860 6.621 ( 7.949 0.000 0.000) 7.949 6.653 ( 7.532 0.000 0.000) 7.532 6.703 ( 6.680 0.000 0.000) 6.680 6.788 ( -0.814 0.000 0.000) 0.814 7.328 ( 10.076 0.000 0.000) 10.076 7.398 ( 3.453 0.000 0.000) 3.453 7.471 ( 0.567 0.000 0.000) 0.567 7.538 ( -6.503 0.000 0.000) 6.503 7.795 ( 8.669 0.000 0.000) 8.669 7.860 ( 0.972 0.000 0.000) 0.972 8.035 ( 8.728 0.000 0.000) 8.728 8.035 ( 11.164 0.000 0.000) 11.164 8.154 ( -1.546 0.000 0.000) 1.546 8.192 ( 0.801 0.000 0.000) 0.801 8.386 ( 5.173 0.000 0.000) 5.173 8.413 ( 7.040 0.000 0.000) 7.040 8.587 ( 0.366 0.000 0.000) 0.366 8.639 ( -3.875 0.000 0.000) 3.875 8.733 ( 0.887 0.000 0.000) 0.887 8.743 ( 2.131 0.000 0.000) 2.131 8.934 ( -0.968 0.000 0.000) 0.968 8.943 ( -1.625 0.000 0.000) 1.625 9.296 ( -0.305 0.000 0.000) 0.305 9.303 ( -1.161 0.000 0.000) 1.161 9.362 ( 7.401 0.000 0.000) 7.401 9.496 ( -2.476 0.000 0.000) 2.476 9.711 ( -2.423 0.000 0.000) 2.423 9.793 ( -8.140 0.000 0.000) 8.140 10.186 ( 2.123 0.000 0.000) 2.123 10.194 ( 1.296 0.000 0.000) 1.296 10.296 ( 0.004 0.000 0.000) 0.004 10.298 ( 0.268 0.000 0.000) 0.268 11.603 ( 6.080 0.000 0.000) 6.080 11.760 ( -8.634 0.000 0.000) 8.634 12.316 ( -0.119 0.000 0.000) 0.119 12.350 ( -3.651 0.000 0.000) 3.651 12.581 ( 2.152 0.000 0.000) 2.152 12.612 ( -1.330 0.000 0.000) 1.330 12.973 ( 2.777 0.000 0.000) 2.777 13.051 ( -4.337 0.000 0.000) 4.337 13.364 ( 4.690 0.000 0.000) 4.690 13.445 ( -3.067 0.000 0.000) 3.067 13.661 ( 2.562 0.000 0.000) 2.562 13.691 ( 0.996 0.000 0.000) 0.996 14.007 ( -2.140 0.000 0.000) 2.140 14.011 ( -1.606 0.000 0.000) 1.606 14.180 ( 1.533 0.000 0.000) 1.533 14.249 ( -4.996 0.000 0.000) 4.996 14.869 ( 4.048 0.000 0.000) 4.048 14.874 ( 2.817 0.000 0.000) 2.817 15.181 ( 6.394 0.000 0.000) 6.394 15.193 ( 1.314 0.000 0.000) 1.314 15.235 ( 2.700 0.000 0.000) 2.700 15.401 ( -9.849 0.000 0.000) 9.849 15.501 ( 0.307 0.000 0.000) 0.307 15.553 ( -4.693 0.000 0.000) 4.693 16.111 ( 0.907 0.000 0.000) 0.907 16.125 ( -0.527 0.000 0.000) 0.527 16.374 ( -3.542 0.000 0.000) 3.542 16.388 ( -4.776 0.000 0.000) 4.776 21.445 ( 0.734 0.000 0.000) 0.734 21.475 ( -2.129 0.000 0.000) 2.129 21.602 ( 1.826 0.000 0.000) 1.826 21.653 ( -3.018 0.000 0.000) 3.018 24.947 ( 1.991 0.000 0.000) 1.991 25.003 ( -2.976 0.000 0.000) 2.976 25.091 ( -0.084 0.000 0.000) 0.084 25.109 ( -1.622 0.000 0.000) 1.622 26.147 ( 4.229 0.000 0.000) 4.229 26.159 ( 3.315 0.000 0.000) 3.315 26.236 ( 6.373 0.000 0.000) 6.373 26.291 ( 1.689 0.000 0.000) 1.689 26.878 ( 2.182 0.000 0.000) 2.182 26.961 ( -5.743 0.000 0.000) 5.743 27.184 ( 9.752 0.000 0.000) 9.752 27.379 ( 4.399 0.000 0.000) 4.399 27.393 ( -6.811 0.000 0.000) 6.811 27.475 ( -8.322 0.000 0.000) 8.322 28.167 ( 4.442 0.000 0.000) 4.442 28.243 ( -3.164 0.000 0.000) 3.164 28.839 ( 1.045 0.000 0.000) 1.045 28.854 ( -0.184 0.000 0.000) 0.184 29.261 ( 0.402 0.000 0.000) 0.402 29.272 ( -0.537 0.000 0.000) 0.537 29.389 ( 1.177 0.000 0.000) 1.177 29.442 ( -3.543 0.000 0.000) 3.543 30.127 ( 4.520 0.000 0.000) 4.520 30.192 ( -1.645 0.000 0.000) 1.645 31.277 ( 3.146 0.000 0.000) 3.146 31.297 ( -0.770 0.000 0.000) 0.770 31.331 ( -0.991 0.000 0.000) 0.991 31.427 ( -8.192 0.000 0.000) 8.192 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 21.087 0.000) 21.087 0.632 ( 0.000 32.149 0.000) 32.149 0.989 ( 0.000 45.163 0.000) 45.163 1.735 ( 0.000 -4.488 0.000) 4.488 2.129 ( 0.000 2.250 0.000) 2.250 2.218 ( 0.000 -0.999 0.000) 0.999 2.364 ( 0.000 -13.225 0.000) 13.225 2.422 ( 0.000 0.098 0.000) 0.098 2.572 ( 0.000 -2.196 0.000) 2.196 2.578 ( 0.000 -17.293 0.000) 17.293 2.725 ( 0.000 -3.610 0.000) 3.610 2.873 ( 0.000 -17.457 0.000) 17.457 3.059 ( 0.000 -0.684 0.000) 0.684 3.152 ( 0.000 -3.503 0.000) 3.503 3.258 ( 0.000 -0.650 0.000) 0.650 3.348 ( 0.000 0.820 0.000) 0.820 3.379 ( 0.000 5.645 0.000) 5.645 3.498 ( 0.000 3.021 0.000) 3.021 3.513 ( 0.000 -12.840 0.000) 12.840 3.615 ( 0.000 8.717 0.000) 8.717 3.956 ( 0.000 15.966 0.000) 15.966 3.974 ( 0.000 -1.697 0.000) 1.697 4.061 ( 0.000 -7.713 0.000) 7.713 4.101 ( 0.000 11.724 0.000) 11.724 4.114 ( 0.000 9.971 0.000) 9.971 4.269 ( 0.000 -2.756 0.000) 2.756 4.433 ( 0.000 -1.046 0.000) 1.046 4.487 ( 0.000 -3.047 0.000) 3.047 4.548 ( 0.000 -4.547 0.000) 4.547 4.578 ( 0.000 -0.572 0.000) 0.572 4.598 ( 0.000 -4.019 0.000) 4.019 4.733 ( 0.000 3.714 0.000) 3.714 4.842 ( 0.000 1.007 0.000) 1.007 4.957 ( 0.000 6.646 0.000) 6.646 5.031 ( 0.000 5.538 0.000) 5.538 5.192 ( 0.000 -6.408 0.000) 6.408 5.663 ( 0.000 -6.399 0.000) 6.399 5.670 ( 0.000 -2.109 0.000) 2.109 5.816 ( 0.000 4.748 0.000) 4.748 5.942 ( 0.000 2.395 0.000) 2.395 6.125 ( 0.000 -0.337 0.000) 0.337 6.144 ( 0.000 1.074 0.000) 1.074 6.360 ( 0.000 10.491 0.000) 10.491 6.420 ( 0.000 -1.473 0.000) 1.473 6.539 ( 0.000 -3.323 0.000) 3.323 6.612 ( 0.000 4.883 0.000) 4.883 6.729 ( 0.000 -1.100 0.000) 1.100 6.773 ( 0.000 3.190 0.000) 3.190 6.931 ( 0.000 8.787 0.000) 8.787 6.993 ( 0.000 -2.685 0.000) 2.685 7.142 ( 0.000 -12.655 0.000) 12.655 7.170 ( 0.000 2.373 0.000) 2.373 7.578 ( 0.000 2.977 0.000) 2.977 7.884 ( 0.000 3.687 0.000) 3.687 8.176 ( 0.000 11.306 0.000) 11.306 8.480 ( 0.000 -2.410 0.000) 2.410 8.531 ( 0.000 -4.492 0.000) 4.492 8.578 ( 0.000 1.195 0.000) 1.195 8.684 ( 0.000 7.666 0.000) 7.666 8.935 ( 0.000 -7.602 0.000) 7.602 8.970 ( 0.000 14.451 0.000) 14.451 9.008 ( 0.000 -2.582 0.000) 2.582 9.388 ( 0.000 7.083 0.000) 7.083 9.548 ( 0.000 -9.017 0.000) 9.017 9.560 ( 0.000 2.684 0.000) 2.684 9.806 ( 0.000 -9.624 0.000) 9.624 9.932 ( 0.000 3.698 0.000) 3.698 9.948 ( 0.000 -6.566 0.000) 6.566 10.021 ( 0.000 -3.725 0.000) 3.725 10.224 ( 0.000 -5.314 0.000) 5.314 10.293 ( 0.000 -1.926 0.000) 1.926 10.720 ( 0.000 -5.674 0.000) 5.674 11.485 ( 0.000 6.216 0.000) 6.216 11.693 ( 0.000 2.223 0.000) 2.223 12.183 ( 0.000 -3.909 0.000) 3.909 12.239 ( 0.000 -3.398 0.000) 3.398 12.798 ( 0.000 -1.320 0.000) 1.320 12.932 ( 0.000 1.811 0.000) 1.811 13.193 ( 0.000 -5.073 0.000) 5.073 13.229 ( 0.000 2.168 0.000) 2.168 13.364 ( 0.000 -8.369 0.000) 8.369 13.461 ( 0.000 2.555 0.000) 2.555 13.484 ( 0.000 3.002 0.000) 3.002 13.683 ( 0.000 -6.817 0.000) 6.817 14.021 ( 0.000 0.635 0.000) 0.635 14.088 ( 0.000 2.172 0.000) 2.172 14.356 ( 0.000 9.556 0.000) 9.556 14.442 ( 0.000 -0.234 0.000) 0.234 14.561 ( 0.000 3.523 0.000) 3.523 14.600 ( 0.000 -2.274 0.000) 2.274 14.727 ( 0.000 4.506 0.000) 4.506 15.055 ( 0.000 -2.986 0.000) 2.986 15.156 ( 0.000 -4.473 0.000) 4.473 15.600 ( 0.000 -10.869 0.000) 10.869 15.954 ( 0.000 -9.050 0.000) 9.050 16.188 ( 0.000 10.894 0.000) 10.894 16.234 ( 0.000 -5.670 0.000) 5.670 16.474 ( 0.000 7.786 0.000) 7.786 16.741 ( 0.000 -7.570 0.000) 7.570 16.893 ( 0.000 -3.778 0.000) 3.778 21.595 ( 0.000 1.858 0.000) 1.858 21.606 ( 0.000 1.566 0.000) 1.566 21.790 ( 0.000 7.224 0.000) 7.224 21.873 ( 0.000 3.343 0.000) 3.343 24.907 ( 0.000 0.848 0.000) 0.848 24.971 ( 0.000 -0.009 0.000) 0.009 25.059 ( 0.000 0.932 0.000) 0.932 25.156 ( 0.000 -0.926 0.000) 0.926 25.454 ( 0.000 2.421 0.000) 2.421 25.592 ( 0.000 -0.324 0.000) 0.324 25.669 ( 0.000 -0.568 0.000) 0.568 25.707 ( 0.000 -0.492 0.000) 0.492 26.741 ( 0.000 0.438 0.000) 0.438 26.819 ( 0.000 1.920 0.000) 1.920 26.875 ( 0.000 -1.182 0.000) 1.182 27.006 ( 0.000 5.024 0.000) 5.024 27.013 ( 0.000 -1.366 0.000) 1.366 27.645 ( 0.000 -6.346 0.000) 6.346 28.047 ( 0.000 4.632 0.000) 4.632 28.408 ( 0.000 -1.602 0.000) 1.602 28.655 ( 0.000 2.135 0.000) 2.135 29.024 ( 0.000 -6.371 0.000) 6.371 29.143 ( 0.000 0.570 0.000) 0.570 29.314 ( 0.000 -1.338 0.000) 1.338 29.580 ( 0.000 1.304 0.000) 1.304 29.636 ( 0.000 0.499 0.000) 0.499 30.004 ( 0.000 4.977 0.000) 4.977 30.561 ( 0.000 -5.057 0.000) 5.057 31.250 ( 0.000 0.770 0.000) 0.770 31.381 ( 0.000 -5.943 0.000) 5.943 31.873 ( 0.000 14.943 0.000) 14.943 33.059 ( 0.000 -8.718 0.000) 8.718 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 21.159 21.654 0.000) 30.275 0.900 ( 21.179 17.441 0.000) 27.436 1.373 ( 35.596 20.731 0.000) 41.193 1.736 ( 0.161 -3.342 0.000) 3.346 2.132 ( -2.484 -1.976 0.000) 3.174 2.260 ( -3.949 2.615 0.000) 4.736 2.361 ( 6.657 0.826 0.000) 6.708 2.559 ( 4.634 -6.367 0.000) 7.875 2.607 ( 11.458 -13.575 0.000) 17.765 2.654 ( -1.503 -12.836 0.000) 12.924 2.813 ( 7.493 -6.975 0.000) 10.237 2.867 ( -0.896 -14.234 0.000) 14.262 3.050 ( 0.866 -0.434 0.000) 0.969 3.129 ( 1.668 -0.471 0.000) 1.733 3.276 ( -6.606 -4.559 0.000) 8.026 3.331 ( -1.078 -0.917 0.000) 1.416 3.354 ( 1.606 1.754 0.000) 2.379 3.408 ( -1.893 4.383 0.000) 4.775 3.625 ( 2.142 -6.041 0.000) 6.409 3.696 ( 4.106 5.507 0.000) 6.870 3.892 ( -3.722 0.918 0.000) 3.833 3.977 ( -3.134 4.159 0.000) 5.207 4.046 ( 7.862 11.826 0.000) 14.201 4.065 ( 1.387 3.188 0.000) 3.477 4.160 ( 0.724 6.238 0.000) 6.280 4.274 ( 5.126 -1.789 0.000) 5.430 4.364 ( 2.827 0.070 0.000) 2.828 4.529 ( 1.570 0.605 0.000) 1.682 4.565 ( 2.554 0.151 0.000) 2.559 4.606 ( 4.198 1.627 0.000) 4.502 4.842 ( 6.128 0.728 0.000) 6.171 4.876 ( 9.963 1.934 0.000) 10.149 4.999 ( 13.188 -1.930 0.000) 13.328 5.168 ( 11.274 -5.861 0.000) 12.706 5.231 ( 14.008 -3.358 0.000) 14.405 5.271 ( 10.790 -1.851 0.000) 10.948 5.547 ( -5.313 -1.840 0.000) 5.623 5.752 ( -1.427 3.723 0.000) 3.987 5.861 ( 8.187 -0.408 0.000) 8.197 5.941 ( 0.674 1.974 0.000) 2.086 6.238 ( 8.745 1.144 0.000) 8.819 6.355 ( 2.431 -0.907 0.000) 2.595 6.367 ( 10.929 5.098 0.000) 12.059 6.497 ( 1.259 4.199 0.000) 4.384 6.552 ( 11.727 0.483 0.000) 11.737 6.664 ( -5.193 -0.434 0.000) 5.211 6.718 ( 3.835 0.365 0.000) 3.853 6.851 ( 8.807 2.188 0.000) 9.075 6.924 ( 6.054 1.755 0.000) 6.303 7.175 ( 14.560 -6.115 0.000) 15.792 7.394 ( 15.971 2.599 0.000) 16.181 7.439 ( 18.494 -14.678 0.000) 23.611 7.616 ( 5.710 -0.895 0.000) 5.780 7.888 ( 1.537 1.029 0.000) 1.850 8.133 ( -2.998 10.678 0.000) 11.091 8.329 ( -11.463 4.695 0.000) 12.387 8.420 ( -5.787 -1.135 0.000) 5.897 8.606 ( 1.657 -3.756 0.000) 4.105 8.726 ( 3.235 7.061 0.000) 7.767 8.925 ( -1.307 0.386 0.000) 1.362 8.989 ( -0.115 -0.310 0.000) 0.331 9.055 ( 4.413 -4.622 0.000) 6.390 9.293 ( -6.387 0.284 0.000) 6.393 9.462 ( -6.968 6.134 0.000) 9.284 9.556 ( -3.857 -3.550 0.000) 5.242 9.863 ( 3.216 -6.763 0.000) 7.488 9.892 ( 0.317 -3.326 0.000) 3.341 9.937 ( -7.617 -1.282 0.000) 7.724 10.070 ( 2.299 -2.304 0.000) 3.255 10.123 ( -0.510 6.412 0.000) 6.433 10.207 ( -3.355 -0.477 0.000) 3.389 10.617 ( -8.901 -5.009 0.000) 10.214 11.537 ( 2.691 5.635 0.000) 6.245 11.838 ( 12.115 -0.829 0.000) 12.143 12.113 ( -4.186 -2.048 0.000) 4.660 12.271 ( 1.838 -2.855 0.000) 3.395 12.779 ( -2.073 -2.059 0.000) 2.921 12.959 ( 2.291 2.994 0.000) 3.770 13.012 ( -7.037 4.023 0.000) 8.106 13.136 ( -10.580 1.410 0.000) 10.673 13.310 ( -4.859 -0.759 0.000) 4.918 13.381 ( 0.828 -7.527 0.000) 7.572 13.534 ( -3.242 -3.602 0.000) 4.846 13.620 ( 4.031 4.552 0.000) 6.080 14.118 ( 6.279 1.800 0.000) 6.532 14.186 ( 1.942 -3.213 0.000) 3.754 14.352 ( 0.455 7.736 0.000) 7.750 14.399 ( -2.744 2.265 0.000) 3.558 14.543 ( -1.842 3.724 0.000) 4.154 14.725 ( 1.925 3.733 0.000) 4.200 14.772 ( 9.254 -6.179 0.000) 11.127 15.034 ( -1.976 -4.190 0.000) 4.633 15.136 ( -0.975 -3.675 0.000) 3.803 15.518 ( -4.390 -7.178 0.000) 8.414 15.909 ( -3.380 -6.072 0.000) 6.949 16.026 ( -7.596 12.938 0.000) 15.003 16.208 ( -5.781 -4.549 0.000) 7.356 16.357 ( -3.888 8.363 0.000) 9.223 16.762 ( -3.120 -7.734 0.000) 8.340 16.836 ( -5.292 -4.087 0.000) 6.686 21.550 ( -2.494 3.854 0.000) 4.590 21.599 ( -0.719 1.290 0.000) 1.476 21.766 ( -3.334 6.027 0.000) 6.887 21.844 ( -1.761 2.154 0.000) 2.782 25.005 ( 2.040 -2.781 0.000) 3.449 25.049 ( 4.586 -1.008 0.000) 4.696 25.103 ( 2.397 1.320 0.000) 2.736 25.182 ( 0.525 0.670 0.000) 0.851 25.541 ( 9.037 0.986 0.000) 9.090 25.615 ( 3.503 0.338 0.000) 3.520 25.706 ( 6.045 -3.284 0.000) 6.879 25.753 ( 4.340 -0.792 0.000) 4.412 26.797 ( 1.110 -0.369 0.000) 1.169 26.900 ( 2.766 -0.199 0.000) 2.773 26.962 ( 7.091 1.624 0.000) 7.274 27.038 ( 4.037 3.970 0.000) 5.662 27.416 ( 23.704 -18.062 0.000) 29.801 27.639 ( -0.564 -5.860 0.000) 5.888 28.101 ( 4.889 -5.024 0.000) 7.010 28.312 ( -8.744 -1.161 0.000) 8.820 28.687 ( 2.910 1.584 0.000) 3.313 29.009 ( -1.747 -1.128 0.000) 2.079 29.154 ( 1.219 -1.674 0.000) 2.071 29.309 ( -0.645 -1.521 0.000) 1.652 29.577 ( -4.467 1.395 0.000) 4.680 29.593 ( 0.992 -0.192 0.000) 1.011 29.944 ( -4.705 6.309 0.000) 7.870 30.390 ( -10.168 5.043 0.000) 11.350 31.233 ( -1.143 0.450 0.000) 1.228 31.366 ( -1.423 -5.491 0.000) 5.672 31.808 ( -5.909 13.210 0.000) 14.471 32.487 ( -30.255 15.478 0.000) 33.984 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 17.961 11.525 0.000) 21.341 1.412 ( 26.657 11.621 0.000) 29.080 1.691 ( -3.536 -1.494 0.000) 3.839 1.978 ( 9.305 9.965 0.000) 13.634 2.128 ( -3.243 -13.585 0.000) 13.967 2.209 ( 11.477 4.252 0.000) 12.240 2.410 ( -0.207 -2.542 0.000) 2.550 2.578 ( -2.819 -6.731 0.000) 7.297 2.658 ( 2.734 -3.343 0.000) 4.318 2.753 ( -2.469 -9.967 0.000) 10.268 2.810 ( -1.281 -8.571 0.000) 8.666 2.942 ( 0.347 -11.995 0.000) 12.000 3.080 ( -3.461 2.825 0.000) 4.467 3.132 ( -1.203 -4.625 0.000) 4.779 3.176 ( 0.396 0.815 0.000) 0.906 3.286 ( 1.058 -1.165 0.000) 1.574 3.369 ( -1.903 2.077 0.000) 2.816 3.417 ( 0.730 -2.117 0.000) 2.239 3.563 ( -3.015 -7.659 0.000) 8.231 3.788 ( 4.458 4.917 0.000) 6.637 3.862 ( -1.472 2.426 0.000) 2.837 3.956 ( 1.297 5.511 0.000) 5.662 4.059 ( -1.290 0.762 0.000) 1.499 4.190 ( 1.647 -0.774 0.000) 1.820 4.225 ( 4.815 8.647 0.000) 9.897 4.370 ( 3.087 -1.665 0.000) 3.507 4.482 ( 6.585 -1.369 0.000) 6.726 4.557 ( 2.816 8.330 0.000) 8.793 4.644 ( 4.684 6.867 0.000) 8.313 4.792 ( 11.864 0.855 0.000) 11.895 4.955 ( 3.074 4.780 0.000) 5.683 5.088 ( 9.011 -0.989 0.000) 9.065 5.238 ( 7.830 -1.202 0.000) 7.922 5.364 ( 6.178 -3.683 0.000) 7.193 5.420 ( 9.480 -2.937 0.000) 9.925 5.553 ( 9.629 -2.214 0.000) 9.880 5.645 ( 14.932 2.662 0.000) 15.167 5.784 ( 7.967 6.257 0.000) 10.130 5.917 ( 1.195 2.462 0.000) 2.737 6.010 ( 1.545 5.978 0.000) 6.174 6.358 ( -1.001 1.582 0.000) 1.872 6.429 ( 5.194 -1.347 0.000) 5.366 6.492 ( 1.291 1.776 0.000) 2.195 6.611 ( 9.879 2.819 0.000) 10.273 6.725 ( 10.521 4.194 0.000) 11.326 6.841 ( 21.753 7.809 0.000) 23.113 6.977 ( 18.261 -1.588 0.000) 18.330 7.118 ( 16.291 -2.712 0.000) 16.515 7.178 ( 15.724 -2.191 0.000) 15.876 7.469 ( 12.419 -2.258 0.000) 12.623 7.645 ( 8.388 1.646 0.000) 8.548 7.693 ( 13.265 1.707 0.000) 13.375 7.876 ( 10.909 -5.382 0.000) 12.164 8.010 ( 8.366 -6.148 0.000) 10.382 8.081 ( -0.612 5.330 0.000) 5.365 8.209 ( 1.420 0.580 0.000) 1.534 8.306 ( -3.082 0.225 0.000) 3.091 8.646 ( 2.468 -3.666 0.000) 4.419 8.754 ( -1.414 -0.491 0.000) 1.497 8.893 ( -1.883 -0.307 0.000) 1.908 8.981 ( -0.523 4.358 0.000) 4.390 9.133 ( 1.914 -4.445 0.000) 4.839 9.169 ( -4.933 -2.176 0.000) 5.391 9.308 ( -5.730 4.563 0.000) 7.325 9.437 ( -5.635 -1.697 0.000) 5.885 9.713 ( -9.962 6.103 0.000) 11.682 9.897 ( 0.253 -8.699 0.000) 8.702 9.933 ( -2.563 -7.314 0.000) 7.750 10.100 ( -0.670 -0.635 0.000) 0.923 10.117 ( 3.186 0.610 0.000) 3.244 10.236 ( 3.648 1.644 0.000) 4.001 10.417 ( -8.910 -1.095 0.000) 8.977 11.575 ( 1.267 8.601 0.000) 8.694 12.023 ( -3.681 -3.060 0.000) 4.786 12.118 ( 11.749 -4.273 0.000) 12.502 12.306 ( 1.742 -2.212 0.000) 2.815 12.718 ( -3.748 -1.546 0.000) 4.054 12.805 ( -12.382 0.512 0.000) 12.392 12.960 ( -3.696 -1.195 0.000) 3.884 13.084 ( 5.005 0.161 0.000) 5.007 13.224 ( -2.072 -0.541 0.000) 2.142 13.406 ( 1.444 -6.366 0.000) 6.528 13.538 ( 2.367 -1.420 0.000) 2.760 13.672 ( 1.241 5.129 0.000) 5.277 14.159 ( -2.157 4.655 0.000) 5.131 14.175 ( -2.157 -1.891 0.000) 2.868 14.295 ( -3.992 6.043 0.000) 7.242 14.447 ( -0.441 -0.134 0.000) 0.461 14.540 ( 6.572 4.145 0.000) 7.770 14.766 ( 1.922 3.478 0.000) 3.974 14.920 ( 4.159 -3.815 0.000) 5.644 15.029 ( 3.371 -5.827 0.000) 6.732 15.132 ( 0.443 -2.731 0.000) 2.766 15.465 ( -1.279 -6.572 0.000) 6.695 15.809 ( -6.897 -4.342 0.000) 8.150 15.879 ( -7.190 8.355 0.000) 11.023 16.086 ( -4.166 -3.061 0.000) 5.170 16.280 ( -4.044 5.617 0.000) 6.922 16.634 ( -8.158 -5.525 0.000) 9.853 16.685 ( -8.817 -4.613 0.000) 9.951 21.506 ( -1.781 3.570 0.000) 3.989 21.578 ( -1.323 0.751 0.000) 1.521 21.680 ( -4.135 5.145 0.000) 6.601 21.797 ( -2.807 1.186 0.000) 3.047 24.986 ( -2.327 1.186 0.000) 2.612 25.080 ( -0.106 1.211 0.000) 1.216 25.155 ( 0.790 -0.496 0.000) 0.933 25.180 ( -1.007 0.483 0.000) 1.117 25.741 ( 9.778 0.177 0.000) 9.779 25.782 ( 12.360 1.015 0.000) 12.402 25.888 ( 8.418 -1.599 0.000) 8.569 25.915 ( 11.824 -3.636 0.000) 12.370 26.828 ( 1.586 0.182 0.000) 1.597 26.951 ( 2.756 1.879 0.000) 3.336 27.112 ( 6.060 4.540 0.000) 7.572 27.150 ( 6.064 2.232 0.000) 6.462 27.528 ( -4.596 -1.656 0.000) 4.885 27.800 ( 10.610 -8.842 0.000) 13.811 28.073 ( -12.774 0.100 0.000) 12.775 28.195 ( 2.598 -11.123 0.000) 11.423 28.759 ( 3.578 0.465 0.000) 3.609 28.955 ( -2.906 4.910 0.000) 5.706 29.188 ( 1.776 -3.268 0.000) 3.719 29.289 ( -1.031 -1.009 0.000) 1.443 29.479 ( -4.112 0.606 0.000) 4.156 29.622 ( 0.300 1.187 0.000) 1.224 29.874 ( -0.472 0.699 0.000) 0.843 30.245 ( -4.307 2.199 0.000) 4.836 31.214 ( -0.472 -0.155 0.000) 0.497 31.328 ( -1.986 -4.157 0.000) 4.607 31.651 ( -8.575 9.540 0.000) 12.827 32.002 ( -18.578 7.608 0.000) 20.075 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.104 3.271 0.000) 3.272 1.650 ( 11.459 -0.249 0.000) 11.462 1.938 ( 17.863 2.201 0.000) 17.998 1.997 ( -3.335 -8.678 0.000) 9.296 2.084 ( 4.893 2.312 0.000) 5.412 2.326 ( 0.499 -1.735 0.000) 1.805 2.445 ( 0.258 -2.810 0.000) 2.821 2.466 ( -6.830 -6.340 0.000) 9.319 2.614 ( -7.540 0.302 0.000) 7.546 2.712 ( -3.233 -4.160 0.000) 5.268 2.825 ( 2.916 -1.644 0.000) 3.348 2.832 ( -3.755 -12.726 0.000) 13.269 3.037 ( -3.287 1.163 0.000) 3.486 3.044 ( -7.617 2.896 0.000) 8.149 3.170 ( 0.270 -3.275 0.000) 3.286 3.256 ( -6.410 -0.686 0.000) 6.446 3.398 ( 5.430 0.192 0.000) 5.434 3.424 ( 2.812 -4.094 0.000) 4.966 3.602 ( 4.273 -3.248 0.000) 5.367 3.796 ( -2.667 -1.116 0.000) 2.891 3.866 ( 0.633 4.262 0.000) 4.309 3.986 ( 0.636 6.453 0.000) 6.484 4.075 ( 2.692 2.086 0.000) 3.406 4.162 ( -2.766 -3.689 0.000) 4.611 4.229 ( -1.462 5.637 0.000) 5.823 4.380 ( -2.804 0.841 0.000) 2.927 4.609 ( 6.123 -0.701 0.000) 6.163 4.656 ( 3.288 4.049 0.000) 5.216 4.739 ( 4.223 6.938 0.000) 8.122 4.991 ( 4.942 4.131 0.000) 6.441 5.000 ( 3.263 5.822 0.000) 6.674 5.170 ( -1.137 0.061 0.000) 1.139 5.291 ( 0.073 1.454 0.000) 1.456 5.449 ( 2.069 2.136 0.000) 2.973 5.681 ( 7.784 -2.143 0.000) 8.074 5.735 ( 6.079 3.772 0.000) 7.154 5.805 ( 6.206 -1.533 0.000) 6.392 5.958 ( 3.357 3.525 0.000) 4.868 6.054 ( 5.113 10.221 0.000) 11.428 6.085 ( 13.254 2.939 0.000) 13.576 6.412 ( 8.259 -1.018 0.000) 8.322 6.490 ( 2.504 -1.396 0.000) 2.867 6.569 ( 6.747 1.729 0.000) 6.965 6.759 ( 4.811 2.249 0.000) 5.311 7.073 ( 15.476 0.116 0.000) 15.476 7.244 ( 11.052 0.520 0.000) 11.065 7.279 ( 14.768 -0.919 0.000) 14.796 7.504 ( 16.275 -1.078 0.000) 16.311 7.530 ( 15.944 2.250 0.000) 16.102 7.679 ( 8.849 -3.143 0.000) 9.391 7.849 ( 9.639 0.664 0.000) 9.662 7.933 ( 5.067 2.723 0.000) 5.752 8.011 ( 5.678 -0.526 0.000) 5.703 8.131 ( 12.571 -0.649 0.000) 12.588 8.217 ( 1.536 6.201 0.000) 6.388 8.253 ( 10.788 -4.718 0.000) 11.775 8.419 ( 7.609 -3.529 0.000) 8.388 8.662 ( -3.461 -3.603 0.000) 4.996 8.726 ( 1.917 -1.496 0.000) 2.431 8.833 ( -3.397 -0.777 0.000) 3.485 8.964 ( -0.889 4.291 0.000) 4.382 9.038 ( -5.694 2.077 0.000) 6.061 9.178 ( 1.962 -5.316 0.000) 5.666 9.278 ( 1.729 0.282 0.000) 1.752 9.376 ( -0.285 -2.923 0.000) 2.937 9.523 ( -7.936 2.787 0.000) 8.411 9.783 ( -8.854 -7.397 0.000) 11.537 9.855 ( -5.408 -8.689 0.000) 10.235 10.126 ( 2.987 -0.533 0.000) 3.034 10.211 ( 3.655 2.059 0.000) 4.195 10.277 ( 0.646 1.658 0.000) 1.779 10.306 ( -1.276 1.009 0.000) 1.627 11.600 ( 1.433 8.301 0.000) 8.423 11.908 ( -6.963 -2.378 0.000) 7.357 12.278 ( 2.530 -4.474 0.000) 5.140 12.390 ( 6.590 -3.555 0.000) 7.488 12.541 ( -10.659 -0.259 0.000) 10.662 12.655 ( -3.533 -0.573 0.000) 3.580 12.920 ( -0.139 -2.107 0.000) 2.111 13.079 ( -3.138 -5.006 0.000) 5.908 13.303 ( 6.418 4.359 0.000) 7.758 13.437 ( 1.415 -4.017 0.000) 4.259 13.602 ( 3.213 -0.817 0.000) 3.315 13.684 ( 0.342 4.295 0.000) 4.309 14.078 ( -4.243 1.950 0.000) 4.670 14.122 ( -2.878 3.045 0.000) 4.190 14.229 ( -2.402 4.931 0.000) 5.485 14.354 ( -6.121 -1.410 0.000) 6.281 14.733 ( 8.984 1.861 0.000) 9.174 14.810 ( 2.840 0.789 0.000) 2.947 15.027 ( 6.987 -0.435 0.000) 7.000 15.123 ( 4.057 -3.984 0.000) 5.686 15.148 ( 1.122 -3.429 0.000) 3.608 15.445 ( -0.938 -5.067 0.000) 5.153 15.643 ( -8.188 0.062 0.000) 8.189 15.713 ( -8.359 2.973 0.000) 8.872 16.054 ( 0.497 -2.461 0.000) 2.510 16.195 ( -3.800 3.162 0.000) 4.944 16.456 ( -8.234 -4.571 0.000) 9.417 16.491 ( -9.191 -4.861 0.000) 10.398 21.478 ( -0.816 3.122 0.000) 3.227 21.542 ( -2.195 1.058 0.000) 2.437 21.618 ( -1.378 3.451 0.000) 3.716 21.731 ( -3.398 0.893 0.000) 3.513 24.953 ( -0.463 2.199 0.000) 2.247 25.069 ( -1.138 1.748 0.000) 2.086 25.120 ( -2.457 -0.079 0.000) 2.458 25.155 ( -1.701 0.435 0.000) 1.756 25.959 ( 10.317 -1.479 0.000) 10.422 26.033 ( 10.036 1.248 0.000) 10.114 26.073 ( 8.973 -0.665 0.000) 8.998 26.143 ( 9.243 -2.938 0.000) 9.699 26.857 ( 1.316 1.006 0.000) 1.657 27.015 ( 2.539 0.722 0.000) 2.640 27.157 ( -1.492 6.105 0.000) 6.284 27.267 ( 4.735 0.096 0.000) 4.736 27.468 ( -0.061 1.804 0.000) 1.805 27.759 ( -12.762 0.551 0.000) 12.774 28.015 ( 6.535 -3.356 0.000) 7.346 28.214 ( -0.433 -7.915 0.000) 7.927 28.823 ( 2.429 0.649 0.000) 2.515 28.905 ( -1.769 4.593 0.000) 4.922 29.219 ( 1.214 -2.438 0.000) 2.723 29.274 ( -0.471 -0.686 0.000) 0.832 29.417 ( -1.687 1.114 0.000) 2.022 29.573 ( -4.263 4.292 0.000) 6.049 29.940 ( 5.513 -6.148 0.000) 8.258 30.184 ( -2.079 -2.516 0.000) 3.264 31.221 ( 1.377 -0.201 0.000) 1.391 31.294 ( -1.069 -2.311 0.000) 2.546 31.479 ( -7.490 5.601 0.000) 9.352 31.671 ( -13.530 2.767 0.000) 13.810 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.871 -4.165 0.000) 6.409 1.771 ( -8.786 -11.740 0.000) 14.663 1.931 ( 8.529 -2.808 0.000) 8.980 2.056 ( -1.721 -3.852 0.000) 4.219 2.299 ( -2.422 -2.143 0.000) 3.234 2.315 ( -2.945 -1.128 0.000) 3.154 2.421 ( 11.258 0.105 0.000) 11.259 2.493 ( 3.983 2.401 0.000) 4.651 2.503 ( -0.285 3.454 0.000) 3.466 2.631 ( -4.394 -3.637 0.000) 5.704 2.787 ( -1.822 -7.062 0.000) 7.293 2.822 ( -1.720 0.244 0.000) 1.738 2.880 ( -4.000 1.390 0.000) 4.235 2.942 ( -6.233 -0.882 0.000) 6.295 3.168 ( -0.404 -0.408 0.000) 0.574 3.173 ( -1.347 -0.769 0.000) 1.551 3.486 ( 2.775 2.884 0.000) 4.003 3.498 ( 2.214 -0.772 0.000) 2.345 3.678 ( 2.841 -3.362 0.000) 4.402 3.735 ( -2.998 -1.377 0.000) 3.299 3.885 ( 2.603 -0.723 0.000) 2.702 3.967 ( -3.325 1.749 0.000) 3.757 4.100 ( 1.919 -1.634 0.000) 2.521 4.155 ( -0.280 -2.628 0.000) 2.643 4.229 ( 1.605 6.412 0.000) 6.610 4.290 ( -4.471 2.773 0.000) 5.261 4.676 ( 1.094 -1.353 0.000) 1.740 4.693 ( 0.108 -0.879 0.000) 0.886 4.836 ( 5.994 7.779 0.000) 9.821 4.977 ( -6.169 7.548 0.000) 9.748 5.084 ( 5.204 7.309 0.000) 8.973 5.152 ( 0.126 2.810 0.000) 2.813 5.302 ( 1.341 6.385 0.000) 6.525 5.388 ( -6.063 7.406 0.000) 9.572 5.737 ( 2.642 -1.560 0.000) 3.068 5.796 ( -2.938 -0.511 0.000) 2.982 5.912 ( 6.984 4.373 0.000) 8.240 6.021 ( -2.856 4.574 0.000) 5.392 6.165 ( 8.023 0.746 0.000) 8.057 6.264 ( 0.534 0.433 0.000) 0.688 6.605 ( 7.889 -2.245 0.000) 8.202 6.619 ( 7.003 -2.555 0.000) 7.455 6.714 ( 5.981 0.923 0.000) 6.052 6.797 ( -1.471 0.433 0.000) 1.534 7.319 ( 9.578 -0.567 0.000) 9.595 7.392 ( 5.090 -0.532 0.000) 5.118 7.459 ( 0.623 -0.831 0.000) 1.038 7.545 ( -7.128 0.636 0.000) 7.156 7.791 ( 9.138 -0.051 0.000) 9.138 7.860 ( 2.668 -0.016 0.000) 2.668 8.010 ( 9.385 -1.930 0.000) 9.582 8.060 ( 5.805 0.178 0.000) 5.807 8.171 ( 3.234 0.833 0.000) 3.340 8.216 ( -1.984 4.284 0.000) 4.721 8.367 ( 7.529 -0.642 0.000) 7.556 8.433 ( 4.010 0.729 0.000) 4.076 8.516 ( 3.974 -2.227 0.000) 4.555 8.589 ( -3.179 -2.290 0.000) 3.918 8.775 ( 2.546 0.565 0.000) 2.608 8.804 ( -0.502 2.306 0.000) 2.360 8.941 ( -1.189 0.717 0.000) 1.389 8.950 ( -2.252 0.725 0.000) 2.366 9.257 ( 5.410 -6.350 0.000) 8.342 9.316 ( 0.947 0.194 0.000) 0.967 9.370 ( -1.334 2.443 0.000) 2.784 9.407 ( -3.407 -7.590 0.000) 8.319 9.648 ( -2.083 -6.029 0.000) 6.379 9.713 ( -6.649 -6.301 0.000) 9.160 10.195 ( 3.095 0.581 0.000) 3.149 10.239 ( -0.820 3.287 0.000) 3.388 10.300 ( 1.173 0.275 0.000) 1.205 10.308 ( 0.484 1.289 0.000) 1.377 11.649 ( 3.615 4.609 0.000) 5.857 11.758 ( -6.725 0.212 0.000) 6.729 12.303 ( 1.265 -2.244 0.000) 2.576 12.369 ( -5.621 -0.889 0.000) 5.691 12.508 ( 4.558 -4.073 0.000) 6.112 12.587 ( -3.241 -2.010 0.000) 3.814 12.950 ( 2.609 -1.624 0.000) 3.073 13.012 ( -3.175 -2.918 0.000) 4.313 13.409 ( 3.512 3.318 0.000) 4.832 13.451 ( -0.529 -0.039 0.000) 0.531 13.656 ( 2.149 -0.477 0.000) 2.201 13.689 ( -0.532 0.215 0.000) 0.574 14.025 ( -0.283 2.574 0.000) 2.589 14.060 ( -2.919 3.397 0.000) 4.478 14.201 ( 0.075 2.698 0.000) 2.699 14.242 ( -3.948 -0.062 0.000) 3.948 14.864 ( 3.258 -0.463 0.000) 3.291 14.875 ( 2.348 -0.218 0.000) 2.358 15.158 ( 2.336 -2.202 0.000) 3.210 15.180 ( 0.511 -3.734 0.000) 3.768 15.212 ( 8.484 0.314 0.000) 8.490 15.389 ( -6.457 -1.432 0.000) 6.614 15.515 ( -1.703 0.942 0.000) 1.946 15.565 ( -5.265 0.846 0.000) 5.332 16.085 ( 2.141 -1.884 0.000) 2.852 16.131 ( -2.391 0.271 0.000) 2.407 16.325 ( -3.552 -4.388 0.000) 5.646 16.337 ( -4.730 -4.663 0.000) 6.642 21.474 ( 0.435 2.609 0.000) 2.645 21.497 ( -1.775 2.031 0.000) 2.697 21.620 ( 1.278 1.711 0.000) 2.135 21.664 ( -2.843 1.019 0.000) 3.020 24.969 ( 1.855 2.071 0.000) 2.780 25.022 ( -2.948 1.787 0.000) 3.448 25.097 ( 0.206 0.543 0.000) 0.580 25.117 ( -1.591 0.746 0.000) 1.757 26.130 ( 5.282 -1.106 0.000) 5.396 26.160 ( 2.367 -0.197 0.000) 2.375 26.236 ( 5.579 -0.230 0.000) 5.583 26.271 ( 2.523 -1.969 0.000) 3.200 26.892 ( 2.516 1.701 0.000) 3.037 26.975 ( -5.052 1.469 0.000) 5.261 27.198 ( 5.860 1.092 0.000) 5.961 27.309 ( -2.190 -3.049 0.000) 3.754 27.487 ( 1.063 5.724 0.000) 5.822 27.542 ( -6.264 6.081 0.000) 8.730 28.127 ( 4.046 -4.024 0.000) 5.707 28.188 ( -2.031 -5.222 0.000) 5.603 28.860 ( 1.234 1.552 0.000) 1.983 28.880 ( -0.855 2.682 0.000) 2.814 29.242 ( 1.034 -1.370 0.000) 1.716 29.262 ( -0.787 -0.903 0.000) 1.197 29.416 ( 1.679 2.410 0.000) 2.937 29.480 ( -4.159 3.577 0.000) 5.485 30.056 ( 5.041 -6.749 0.000) 8.424 30.138 ( -2.840 -5.499 0.000) 6.188 31.276 ( 3.275 0.087 0.000) 3.277 31.296 ( 1.846 0.003 0.000) 1.846 31.356 ( -3.728 2.142 0.000) 4.300 31.437 ( -8.886 0.847 0.000) 8.926 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 20.182 0.000) 20.182 1.241 ( 0.000 30.028 0.000) 30.028 1.417 ( 0.000 -5.340 0.000) 5.340 1.798 ( 0.000 8.491 0.000) 8.491 1.958 ( 0.000 -17.335 0.000) 17.335 2.185 ( 0.000 -5.156 0.000) 5.156 2.212 ( 0.000 1.137 0.000) 1.137 2.260 ( 0.000 -17.540 0.000) 17.540 2.333 ( 0.000 1.811 0.000) 1.811 2.569 ( 0.000 -2.737 0.000) 2.737 2.676 ( 0.000 -0.967 0.000) 0.967 2.716 ( 0.000 5.478 0.000) 5.478 3.066 ( 0.000 -7.785 0.000) 7.785 3.070 ( 0.000 -3.831 0.000) 3.831 3.195 ( 0.000 5.040 0.000) 5.040 3.303 ( 0.000 -7.591 0.000) 7.591 3.386 ( 0.000 1.764 0.000) 1.764 3.448 ( 0.000 -6.499 0.000) 6.499 3.588 ( 0.000 9.911 0.000) 9.911 3.832 ( 0.000 11.864 0.000) 11.864 3.870 ( 0.000 -9.804 0.000) 9.804 3.957 ( 0.000 2.982 0.000) 2.982 4.152 ( 0.000 0.627 0.000) 0.627 4.247 ( 0.000 4.255 0.000) 4.255 4.253 ( 0.000 4.120 0.000) 4.120 4.374 ( 0.000 -6.717 0.000) 6.717 4.380 ( 0.000 3.107 0.000) 3.107 4.442 ( 0.000 11.618 0.000) 11.618 4.470 ( 0.000 -3.617 0.000) 3.617 4.535 ( 0.000 -2.089 0.000) 2.089 4.546 ( 0.000 -3.182 0.000) 3.182 4.798 ( 0.000 2.857 0.000) 2.857 4.856 ( 0.000 0.564 0.000) 0.564 4.988 ( 0.000 -8.850 0.000) 8.850 5.137 ( 0.000 4.714 0.000) 4.714 5.158 ( 0.000 6.401 0.000) 6.401 5.521 ( 0.000 -6.597 0.000) 6.597 5.589 ( 0.000 -5.859 0.000) 5.859 5.914 ( 0.000 5.061 0.000) 5.061 5.984 ( 0.000 1.582 0.000) 1.582 6.131 ( 0.000 0.978 0.000) 0.978 6.180 ( 0.000 1.085 0.000) 1.085 6.407 ( 0.000 0.409 0.000) 0.409 6.461 ( 0.000 0.044 0.000) 0.044 6.571 ( 0.000 3.372 0.000) 3.372 6.643 ( 0.000 -1.584 0.000) 1.584 6.802 ( 0.000 3.538 0.000) 3.538 6.803 ( 0.000 8.522 0.000) 8.522 6.990 ( 0.000 -2.962 0.000) 2.962 7.004 ( 0.000 2.597 0.000) 2.597 7.104 ( 0.000 5.593 0.000) 5.593 7.169 ( 0.000 -2.697 0.000) 2.697 7.663 ( 0.000 6.210 0.000) 6.210 7.920 ( 0.000 -1.554 0.000) 1.554 8.333 ( 0.000 -0.415 0.000) 0.415 8.418 ( 0.000 -6.230 0.000) 6.230 8.470 ( 0.000 9.818 0.000) 9.818 8.620 ( 0.000 2.893 0.000) 2.893 8.779 ( 0.000 -5.227 0.000) 5.227 8.901 ( 0.000 10.895 0.000) 10.895 8.939 ( 0.000 -5.122 0.000) 5.122 9.293 ( 0.000 15.775 0.000) 15.775 9.317 ( 0.000 -12.436 0.000) 12.436 9.498 ( 0.000 4.591 0.000) 4.591 9.618 ( 0.000 -8.551 0.000) 8.551 9.667 ( 0.000 6.921 0.000) 6.921 9.778 ( 0.000 -9.955 0.000) 9.955 9.874 ( 0.000 -7.019 0.000) 7.019 9.912 ( 0.000 -7.360 0.000) 7.360 10.073 ( 0.000 -9.984 0.000) 9.984 10.383 ( 0.000 9.202 0.000) 9.202 10.611 ( 0.000 -4.357 0.000) 4.357 11.629 ( 0.000 7.674 0.000) 7.674 11.743 ( 0.000 2.423 0.000) 2.423 12.096 ( 0.000 -4.174 0.000) 4.174 12.152 ( 0.000 -5.173 0.000) 5.173 12.772 ( 0.000 -0.242 0.000) 0.242 12.996 ( 0.000 4.425 0.000) 4.425 13.032 ( 0.000 -11.434 0.000) 11.434 13.198 ( 0.000 -6.709 0.000) 6.709 13.281 ( 0.000 3.360 0.000) 3.360 13.464 ( 0.000 -3.868 0.000) 3.868 13.555 ( 0.000 3.468 0.000) 3.468 13.595 ( 0.000 -0.687 0.000) 0.687 14.062 ( 0.000 3.448 0.000) 3.448 14.135 ( 0.000 1.943 0.000) 1.943 14.434 ( 0.000 -0.267 0.000) 0.267 14.520 ( 0.000 1.275 0.000) 1.275 14.553 ( 0.000 2.562 0.000) 2.562 14.641 ( 0.000 3.701 0.000) 3.701 14.816 ( 0.000 3.191 0.000) 3.191 14.977 ( 0.000 -4.879 0.000) 4.879 15.095 ( 0.000 0.828 0.000) 0.828 15.402 ( 0.000 -9.700 0.000) 9.700 15.815 ( 0.000 -3.482 0.000) 3.482 16.056 ( 0.000 -11.442 0.000) 11.442 16.388 ( 0.000 9.391 0.000) 9.391 16.604 ( 0.000 5.256 0.000) 5.256 16.629 ( 0.000 -3.883 0.000) 3.883 16.792 ( 0.000 -5.958 0.000) 5.958 21.635 ( 0.000 1.940 0.000) 1.940 21.641 ( 0.000 1.641 0.000) 1.641 21.926 ( 0.000 5.546 0.000) 5.546 21.946 ( 0.000 3.451 0.000) 3.451 24.928 ( 0.000 1.269 0.000) 1.269 24.967 ( 0.000 -0.457 0.000) 0.457 25.082 ( 0.000 1.357 0.000) 1.357 25.134 ( 0.000 -1.231 0.000) 1.231 25.511 ( 0.000 3.085 0.000) 3.085 25.583 ( 0.000 -0.656 0.000) 0.656 25.659 ( 0.000 -0.277 0.000) 0.277 25.690 ( 0.000 -1.262 0.000) 1.262 26.760 ( 0.000 1.546 0.000) 1.546 26.842 ( 0.000 -2.108 0.000) 2.108 26.867 ( 0.000 2.875 0.000) 2.875 26.976 ( 0.000 -2.346 0.000) 2.346 27.138 ( 0.000 8.273 0.000) 8.273 27.494 ( 0.000 -8.787 0.000) 8.787 28.152 ( 0.000 5.865 0.000) 5.865 28.357 ( 0.000 -3.716 0.000) 3.716 28.709 ( 0.000 3.340 0.000) 3.340 28.893 ( 0.000 -6.469 0.000) 6.469 29.163 ( 0.000 1.642 0.000) 1.642 29.268 ( 0.000 -3.088 0.000) 3.088 29.611 ( 0.000 1.620 0.000) 1.620 29.643 ( 0.000 0.122 0.000) 0.122 30.129 ( 0.000 7.443 0.000) 7.443 30.435 ( 0.000 -7.513 0.000) 7.513 31.263 ( 0.000 0.489 0.000) 0.489 31.300 ( 0.000 -2.508 0.000) 2.508 32.189 ( 0.000 17.027 0.000) 17.027 32.829 ( 0.000 -14.423 0.000) 14.423 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 19.439 11.936 0.000) 22.811 1.356 ( 11.947 21.814 0.000) 24.871 1.524 ( 9.376 -1.275 0.000) 9.462 1.878 ( 6.059 0.355 0.000) 6.070 1.986 ( 3.665 -6.484 0.000) 7.448 2.213 ( -0.882 -10.636 0.000) 10.673 2.252 ( 4.958 -2.864 0.000) 5.726 2.374 ( 4.639 -4.945 0.000) 6.780 2.469 ( 14.595 -4.850 0.000) 15.380 2.549 ( -6.497 -0.778 0.000) 6.543 2.639 ( 4.156 -3.643 0.000) 5.527 2.776 ( -0.584 0.397 0.000) 0.706 3.008 ( 0.870 -2.557 0.000) 2.701 3.120 ( -2.129 -6.333 0.000) 6.682 3.187 ( 2.694 3.651 0.000) 4.538 3.280 ( -1.477 -3.671 0.000) 3.957 3.395 ( 1.566 0.912 0.000) 1.812 3.502 ( 1.223 -3.956 0.000) 4.140 3.541 ( -5.568 6.252 0.000) 8.372 3.784 ( 2.018 -4.982 0.000) 5.375 3.888 ( -0.431 7.153 0.000) 7.166 4.052 ( -0.563 4.203 0.000) 4.241 4.125 ( 2.685 2.890 0.000) 3.945 4.183 ( -2.061 0.153 0.000) 2.066 4.244 ( -2.026 -0.405 0.000) 2.067 4.288 ( 4.829 6.474 0.000) 8.077 4.399 ( 2.365 1.938 0.000) 3.058 4.557 ( 4.117 -3.310 0.000) 5.283 4.592 ( 6.625 -0.170 0.000) 6.627 4.601 ( 9.816 4.008 0.000) 10.603 4.773 ( 13.635 -2.240 0.000) 13.817 4.892 ( 6.499 0.934 0.000) 6.566 4.978 ( 10.704 -1.287 0.000) 10.781 5.057 ( 6.635 -7.621 0.000) 10.105 5.200 ( 10.214 3.478 0.000) 10.789 5.333 ( 10.255 0.404 0.000) 10.263 5.534 ( 4.950 2.585 0.000) 5.584 5.736 ( 9.404 -4.448 0.000) 10.403 5.912 ( 2.038 4.530 0.000) 4.968 5.978 ( -0.496 1.276 0.000) 1.369 6.275 ( 11.550 2.383 0.000) 11.793 6.327 ( 5.514 -0.558 0.000) 5.542 6.477 ( 4.287 3.522 0.000) 5.548 6.557 ( 0.962 1.645 0.000) 1.906 6.586 ( 14.426 0.719 0.000) 14.444 6.624 ( 8.698 -1.759 0.000) 8.874 6.790 ( 1.029 10.083 0.000) 10.135 6.971 ( 3.581 4.533 0.000) 5.777 7.003 ( -1.711 6.308 0.000) 6.535 7.123 ( 16.906 1.325 0.000) 16.958 7.209 ( 17.899 -9.515 0.000) 20.271 7.397 ( 14.008 -3.912 0.000) 14.544 7.676 ( 1.553 5.541 0.000) 5.754 7.895 ( -1.738 -1.572 0.000) 2.343 8.267 ( -6.124 1.123 0.000) 6.226 8.351 ( -4.678 -4.251 0.000) 6.321 8.403 ( -4.646 8.258 0.000) 9.475 8.622 ( 0.174 4.418 0.000) 4.422 8.805 ( 0.886 -7.191 0.000) 7.246 8.861 ( -2.424 0.822 0.000) 2.560 9.007 ( 4.017 3.479 0.000) 5.314 9.176 ( -7.224 11.250 0.000) 13.370 9.194 ( -8.120 -6.793 0.000) 10.586 9.487 ( -1.600 -2.160 0.000) 2.687 9.544 ( -8.313 -3.727 0.000) 9.111 9.707 ( 0.749 -2.690 0.000) 2.793 9.809 ( -0.148 -9.127 0.000) 9.128 9.851 ( -0.562 -4.100 0.000) 4.138 9.926 ( 3.211 -5.583 0.000) 6.440 10.115 ( 2.784 -5.086 0.000) 5.798 10.350 ( -2.551 9.484 0.000) 9.821 10.541 ( -5.741 -2.378 0.000) 6.214 11.688 ( 4.827 8.399 0.000) 9.687 11.827 ( 7.292 -0.247 0.000) 7.296 12.054 ( -3.063 -2.787 0.000) 4.141 12.184 ( 1.838 -5.903 0.000) 6.183 12.749 ( -2.022 -0.172 0.000) 2.030 12.976 ( -3.239 -7.345 0.000) 8.028 13.044 ( 2.221 2.992 0.000) 3.726 13.134 ( -12.532 2.511 0.000) 12.781 13.235 ( 1.971 -5.353 0.000) 5.704 13.279 ( -9.061 -3.624 0.000) 9.759 13.520 ( -1.359 2.551 0.000) 2.891 13.667 ( 4.714 -0.839 0.000) 4.789 14.149 ( 3.830 2.948 0.000) 4.833 14.225 ( 6.381 4.567 0.000) 7.847 14.408 ( -1.385 0.179 0.000) 1.396 14.515 ( -2.444 6.030 0.000) 6.506 14.599 ( 1.195 -1.664 0.000) 2.049 14.662 ( 5.816 -0.501 0.000) 5.838 14.815 ( -0.150 2.460 0.000) 2.465 14.964 ( -1.027 -3.206 0.000) 3.366 15.082 ( -0.499 0.929 0.000) 1.054 15.369 ( -2.249 -8.048 0.000) 8.356 15.789 ( -2.430 -3.689 0.000) 4.418 16.000 ( -5.044 -10.204 0.000) 11.383 16.315 ( -6.554 10.509 0.000) 12.386 16.492 ( -5.688 4.569 0.000) 7.296 16.647 ( -2.363 -3.504 0.000) 4.226 16.728 ( -5.896 -6.366 0.000) 8.677 21.615 ( -1.698 2.547 0.000) 3.061 21.631 ( -1.040 1.507 0.000) 1.831 21.882 ( -4.143 4.872 0.000) 6.396 21.901 ( -3.404 2.984 0.000) 4.527 24.985 ( 3.621 0.389 0.000) 3.642 25.028 ( 4.441 -1.156 0.000) 4.589 25.131 ( 2.621 1.501 0.000) 3.020 25.180 ( 2.053 -0.739 0.000) 2.182 25.569 ( 7.449 1.760 0.000) 7.655 25.626 ( 4.768 0.054 0.000) 4.769 25.665 ( 2.404 -0.498 0.000) 2.455 25.728 ( 3.935 -1.725 0.000) 4.296 26.804 ( 2.104 1.162 0.000) 2.403 26.878 ( 4.113 -1.796 0.000) 4.488 27.008 ( 9.962 3.025 0.000) 10.411 27.156 ( 5.386 6.119 0.000) 8.151 27.190 ( 15.483 -5.457 0.000) 16.417 27.501 ( 0.353 -8.196 0.000) 8.203 28.120 ( -2.611 3.736 0.000) 4.558 28.274 ( -7.543 -2.870 0.000) 8.070 28.733 ( 2.137 3.066 0.000) 3.737 28.910 ( 1.568 -6.081 0.000) 6.280 29.169 ( 0.520 1.706 0.000) 1.783 29.264 ( -0.302 -2.807 0.000) 2.823 29.592 ( -3.721 0.726 0.000) 3.792 29.604 ( -1.162 0.441 0.000) 1.243 30.078 ( -4.631 7.509 0.000) 8.822 30.361 ( -6.241 -5.460 0.000) 8.292 31.246 ( -1.381 0.712 0.000) 1.553 31.290 ( -0.922 -2.462 0.000) 2.629 32.087 ( -9.213 14.767 0.000) 17.406 32.554 ( -21.887 -5.552 0.000) 22.580 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 9.175 4.471 0.000) 10.206 1.665 ( 10.480 3.320 0.000) 10.994 1.703 ( 10.066 9.427 0.000) 13.792 1.885 ( -3.742 -6.672 0.000) 7.650 2.105 ( -0.812 -6.099 0.000) 6.153 2.195 ( 3.458 -4.092 0.000) 5.357 2.367 ( 4.629 3.089 0.000) 5.565 2.427 ( -2.422 -4.524 0.000) 5.131 2.507 ( 6.717 -8.524 0.000) 10.852 2.645 ( -2.269 -7.226 0.000) 7.574 2.683 ( 1.034 -1.018 0.000) 1.451 2.773 ( 2.286 -5.499 0.000) 5.955 3.021 ( -0.672 -4.238 0.000) 4.291 3.083 ( 0.071 -1.717 0.000) 1.718 3.249 ( 0.646 4.713 0.000) 4.757 3.295 ( 2.473 1.965 0.000) 3.159 3.377 ( -4.417 -2.377 0.000) 5.016 3.458 ( 4.026 -0.639 0.000) 4.077 3.472 ( -4.890 4.764 0.000) 6.827 3.798 ( -2.934 -5.505 0.000) 6.238 3.907 ( 2.499 3.597 0.000) 4.380 4.011 ( -1.484 1.214 0.000) 1.917 4.152 ( 2.036 7.688 0.000) 7.953 4.184 ( -0.049 0.872 0.000) 0.874 4.282 ( 0.198 -2.169 0.000) 2.178 4.416 ( 4.852 5.505 0.000) 7.338 4.452 ( 2.751 -2.361 0.000) 3.626 4.651 ( 3.844 -0.963 0.000) 3.963 4.733 ( 8.332 3.553 0.000) 9.058 4.827 ( 10.211 0.893 0.000) 10.250 5.013 ( 7.950 3.408 0.000) 8.650 5.068 ( 10.547 0.239 0.000) 10.550 5.231 ( 13.107 -3.349 0.000) 13.528 5.260 ( 11.016 -2.580 0.000) 11.314 5.443 ( 9.537 2.370 0.000) 9.827 5.543 ( 12.059 -0.661 0.000) 12.077 5.717 ( 8.527 5.648 0.000) 10.228 5.851 ( 4.467 0.642 0.000) 4.513 5.997 ( 6.864 5.244 0.000) 8.638 6.099 ( 9.294 2.321 0.000) 9.580 6.392 ( -1.883 0.718 0.000) 2.015 6.417 ( 4.657 0.166 0.000) 4.660 6.549 ( 5.962 3.976 0.000) 7.166 6.659 ( 7.229 2.884 0.000) 7.783 6.838 ( 7.389 5.498 0.000) 9.210 6.915 ( 12.928 -3.250 0.000) 13.330 7.053 ( 24.894 10.246 0.000) 26.920 7.114 ( 13.380 5.072 0.000) 14.309 7.178 ( 15.844 1.851 0.000) 15.951 7.481 ( 17.390 1.864 0.000) 17.489 7.596 ( 13.250 -7.806 0.000) 15.378 7.680 ( 12.284 -3.199 0.000) 12.694 7.787 ( 11.733 -1.443 0.000) 11.821 7.900 ( 3.500 -4.569 0.000) 5.755 8.148 ( -3.063 2.494 0.000) 3.950 8.283 ( -1.098 -1.794 0.000) 2.103 8.326 ( -1.517 8.668 0.000) 8.799 8.637 ( 1.626 2.658 0.000) 3.116 8.760 ( -4.649 0.826 0.000) 4.722 8.818 ( -2.668 -8.507 0.000) 8.915 9.037 ( -4.011 -5.961 0.000) 7.185 9.049 ( -1.185 -1.632 0.000) 2.017 9.111 ( -1.001 5.818 0.000) 5.903 9.349 ( -6.668 -1.504 0.000) 6.836 9.430 ( -5.298 -1.674 0.000) 5.557 9.675 ( -7.523 -8.198 0.000) 11.126 9.717 ( -2.271 -6.838 0.000) 7.206 9.818 ( -3.127 -5.040 0.000) 5.932 10.059 ( 6.070 -0.089 0.000) 6.070 10.137 ( 0.113 -0.528 0.000) 0.540 10.315 ( -0.515 5.406 0.000) 5.430 10.426 ( -4.244 1.488 0.000) 4.497 11.779 ( 2.895 11.057 0.000) 11.430 11.968 ( -1.711 -1.600 0.000) 2.343 12.013 ( 5.922 -5.655 0.000) 8.188 12.214 ( 1.375 -7.024 0.000) 7.158 12.698 ( -2.892 0.334 0.000) 2.912 12.843 ( -13.178 1.049 0.000) 13.220 12.905 ( -2.638 -3.252 0.000) 4.187 13.030 ( -4.520 -4.313 0.000) 6.248 13.229 ( 5.490 0.888 0.000) 5.561 13.301 ( 3.413 -3.726 0.000) 5.053 13.555 ( 3.070 3.664 0.000) 4.780 13.738 ( 1.980 -0.197 0.000) 1.990 14.167 ( -1.090 2.376 0.000) 2.614 14.278 ( -1.948 6.265 0.000) 6.561 14.372 ( -2.523 0.273 0.000) 2.538 14.470 ( -4.282 1.960 0.000) 4.709 14.626 ( 5.856 4.454 0.000) 7.358 14.794 ( 0.476 -2.297 0.000) 2.346 14.838 ( 6.693 -1.822 0.000) 6.937 14.973 ( 2.584 -1.757 0.000) 3.125 15.087 ( 0.813 1.176 0.000) 1.430 15.339 ( -0.377 -6.627 0.000) 6.637 15.718 ( -4.326 -3.431 0.000) 5.521 15.869 ( -7.081 -7.527 0.000) 10.335 16.165 ( -6.744 9.302 0.000) 11.490 16.374 ( -5.965 3.270 0.000) 6.802 16.540 ( -7.357 -3.526 0.000) 8.158 16.566 ( -9.059 -6.836 0.000) 11.349 21.575 ( -1.925 2.998 0.000) 3.563 21.602 ( -1.616 1.254 0.000) 2.045 21.778 ( -5.099 4.308 0.000) 6.675 21.825 ( -3.789 1.319 0.000) 4.012 25.023 ( -0.163 2.449 0.000) 2.455 25.095 ( 1.299 -0.112 0.000) 1.304 25.152 ( 0.011 0.427 0.000) 0.428 25.182 ( -1.201 -0.331 0.000) 1.246 25.747 ( 8.173 0.522 0.000) 8.190 25.807 ( 12.345 1.002 0.000) 12.385 25.823 ( 10.752 -2.990 0.000) 11.160 25.875 ( 10.311 -1.506 0.000) 10.421 26.855 ( 2.597 2.583 0.000) 3.663 26.962 ( 3.723 -1.128 0.000) 3.890 27.214 ( 6.640 6.004 0.000) 8.952 27.234 ( 5.638 6.140 0.000) 8.336 27.470 ( 0.248 -4.357 0.000) 4.364 27.585 ( 13.832 -11.249 0.000) 17.829 28.066 ( -5.161 -0.844 0.000) 5.229 28.083 ( -6.462 -1.688 0.000) 6.679 28.789 ( 3.029 2.544 0.000) 3.955 28.945 ( 1.354 -4.126 0.000) 4.342 29.183 ( 0.760 1.711 0.000) 1.872 29.258 ( -0.192 -1.907 0.000) 1.917 29.499 ( -3.951 1.754 0.000) 4.323 29.602 ( 0.903 -2.582 0.000) 2.736 29.957 ( -6.252 6.680 0.000) 9.149 30.218 ( -6.770 -4.508 0.000) 8.133 31.221 ( -0.756 0.710 0.000) 1.037 31.268 ( -0.960 -2.125 0.000) 2.332 31.847 ( -12.833 9.999 0.000) 16.269 32.087 ( -21.041 0.222 0.000) 21.042 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 1.683 -5.694 0.000) 5.938 1.625 ( -6.064 1.842 0.000) 6.337 1.790 ( -0.646 -6.747 0.000) 6.778 1.974 ( -1.976 -9.949 0.000) 10.143 2.136 ( 12.722 5.734 0.000) 13.955 2.269 ( 3.173 -1.840 0.000) 3.668 2.377 ( -1.047 -1.918 0.000) 2.185 2.445 ( 3.719 4.707 0.000) 5.999 2.565 ( -2.251 -9.265 0.000) 9.535 2.610 ( 0.873 -3.374 0.000) 3.485 2.714 ( -0.211 1.488 0.000) 1.503 2.766 ( 0.119 -2.508 0.000) 2.511 2.983 ( -0.972 -5.685 0.000) 5.767 3.070 ( -6.952 -4.944 0.000) 8.531 3.184 ( 0.769 5.633 0.000) 5.685 3.272 ( -8.514 2.970 0.000) 9.017 3.416 ( 1.995 3.484 0.000) 4.014 3.440 ( 7.032 3.270 0.000) 7.755 3.563 ( 4.166 -1.042 0.000) 4.294 3.707 ( -3.247 -7.547 0.000) 8.216 3.945 ( -0.511 2.668 0.000) 2.716 4.018 ( 2.234 -0.898 0.000) 2.408 4.124 ( -4.561 1.097 0.000) 4.691 4.187 ( 0.319 7.687 0.000) 7.694 4.243 ( -2.297 -3.138 0.000) 3.889 4.396 ( -4.002 -0.283 0.000) 4.012 4.555 ( 4.290 -1.527 0.000) 4.554 4.687 ( -0.479 -2.619 0.000) 2.663 4.902 ( 7.430 7.586 0.000) 10.619 5.029 ( 9.130 0.844 0.000) 9.169 5.138 ( 4.951 6.343 0.000) 8.047 5.219 ( 2.630 3.604 0.000) 4.462 5.390 ( 2.477 6.105 0.000) 6.588 5.471 ( 7.893 1.219 0.000) 7.987 5.621 ( 5.896 -2.912 0.000) 6.576 5.759 ( 3.805 -3.709 0.000) 5.314 5.851 ( 10.257 7.278 0.000) 12.577 5.998 ( 8.045 -0.022 0.000) 8.045 6.198 ( 5.784 8.255 0.000) 10.079 6.230 ( 6.935 5.281 0.000) 8.717 6.410 ( 3.533 1.163 0.000) 3.719 6.499 ( 2.627 2.054 0.000) 3.335 6.600 ( 5.349 1.879 0.000) 5.669 6.780 ( 1.686 -0.795 0.000) 1.864 7.087 ( 13.990 1.182 0.000) 14.039 7.177 ( 11.221 -3.706 0.000) 11.817 7.364 ( 9.685 6.070 0.000) 11.430 7.505 ( 13.022 0.610 0.000) 13.037 7.591 ( 20.947 5.448 0.000) 21.644 7.692 ( 4.128 3.350 0.000) 5.316 7.852 ( 11.616 -0.379 0.000) 11.622 7.923 ( 10.737 -0.742 0.000) 10.763 8.012 ( 1.578 -4.054 0.000) 4.350 8.038 ( 14.533 -6.472 0.000) 15.909 8.223 ( 11.323 1.825 0.000) 11.469 8.338 ( 3.810 5.049 0.000) 6.325 8.387 ( 7.826 -0.560 0.000) 7.846 8.653 ( -4.353 1.974 0.000) 4.780 8.703 ( 3.601 1.505 0.000) 3.903 8.752 ( -1.445 -6.365 0.000) 6.527 8.965 ( -3.075 -8.103 0.000) 8.666 9.019 ( -1.784 -3.310 0.000) 3.760 9.088 ( -1.645 0.621 0.000) 1.758 9.279 ( -3.289 -2.133 0.000) 3.920 9.331 ( -0.757 -0.329 0.000) 0.826 9.517 ( -6.544 -4.756 0.000) 8.090 9.612 ( -6.951 -5.758 0.000) 9.026 9.733 ( -5.552 -5.329 0.000) 7.696 10.128 ( 3.015 1.737 0.000) 3.480 10.203 ( 4.542 -1.141 0.000) 4.683 10.312 ( 0.044 2.276 0.000) 2.276 10.375 ( -1.403 3.088 0.000) 3.392 11.794 ( -1.048 10.188 0.000) 10.242 11.877 ( -5.048 0.205 0.000) 5.053 12.138 ( 3.861 -8.808 0.000) 9.617 12.248 ( 1.163 -8.843 0.000) 8.919 12.596 ( -6.635 3.676 0.000) 7.585 12.653 ( -4.305 0.542 0.000) 4.339 12.888 ( 0.961 -1.023 0.000) 1.404 12.971 ( -0.947 -5.571 0.000) 5.651 13.361 ( 4.943 0.444 0.000) 4.962 13.377 ( 4.586 -0.941 0.000) 4.681 13.613 ( 2.307 2.783 0.000) 3.615 13.745 ( -1.206 0.585 0.000) 1.341 14.125 ( -2.569 3.205 0.000) 4.107 14.202 ( -4.455 3.072 0.000) 5.411 14.322 ( -2.302 2.395 0.000) 3.322 14.353 ( -5.252 3.430 0.000) 6.273 14.775 ( 6.456 2.193 0.000) 6.818 14.807 ( 1.843 -0.442 0.000) 1.895 14.982 ( 6.382 -4.527 0.000) 7.825 15.046 ( 3.201 -5.137 0.000) 6.052 15.125 ( 3.455 3.723 0.000) 5.079 15.346 ( 0.667 -5.375 0.000) 5.416 15.614 ( -5.295 -1.578 0.000) 5.525 15.715 ( -7.652 -3.672 0.000) 8.487 16.064 ( -2.614 4.055 0.000) 4.825 16.245 ( -6.223 1.086 0.000) 6.317 16.365 ( -8.463 -4.844 0.000) 9.751 16.384 ( -8.029 -4.279 0.000) 9.098 21.542 ( -1.192 2.862 0.000) 3.101 21.568 ( -1.565 1.252 0.000) 2.004 21.690 ( -3.062 3.454 0.000) 4.616 21.747 ( -3.583 0.476 0.000) 3.614 25.009 ( -0.387 3.315 0.000) 3.337 25.103 ( -0.044 0.277 0.000) 0.281 25.117 ( -2.697 0.793 0.000) 2.811 25.160 ( -1.253 -0.050 0.000) 1.254 25.945 ( 9.935 0.149 0.000) 9.936 26.020 ( 8.960 -2.650 0.000) 9.344 26.068 ( 10.503 0.395 0.000) 10.511 26.094 ( 9.215 -1.522 0.000) 9.340 26.903 ( 2.003 3.568 0.000) 4.092 27.023 ( 1.699 -0.706 0.000) 1.840 27.266 ( -3.750 4.216 0.000) 5.642 27.283 ( 1.319 1.592 0.000) 2.067 27.521 ( 5.317 3.961 0.000) 6.630 27.744 ( -1.542 -3.398 0.000) 3.731 27.949 ( 1.447 -1.839 0.000) 2.340 28.067 ( 0.237 -6.506 0.000) 6.511 28.850 ( 2.672 2.280 0.000) 3.513 28.953 ( -0.626 -0.390 0.000) 0.738 29.200 ( 1.035 0.780 0.000) 1.296 29.255 ( -0.277 -1.170 0.000) 1.202 29.452 ( -0.426 2.847 0.000) 2.879 29.622 ( -0.392 -1.508 0.000) 1.558 29.861 ( -1.547 0.648 0.000) 1.677 30.094 ( -5.198 -6.448 0.000) 8.283 31.225 ( 1.358 0.540 0.000) 1.462 31.260 ( 0.400 -1.287 0.000) 1.347 31.591 ( -11.101 5.581 0.000) 12.425 31.708 ( -15.327 0.471 0.000) 15.335 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.102 -3.333 0.000) 3.511 1.552 ( -3.691 -6.273 0.000) 7.278 1.806 ( 1.987 -9.123 0.000) 9.337 1.872 ( -4.659 -13.726 0.000) 14.495 2.299 ( 1.013 0.536 0.000) 1.146 2.328 ( 0.105 2.910 0.000) 2.912 2.419 ( 7.188 -0.665 0.000) 7.219 2.504 ( -0.296 -2.197 0.000) 2.217 2.578 ( 1.013 4.150 0.000) 4.272 2.643 ( -5.014 3.786 0.000) 6.283 2.689 ( 10.596 -0.819 0.000) 10.628 2.816 ( 3.449 -0.276 0.000) 3.460 2.910 ( -7.188 -1.151 0.000) 7.279 2.950 ( -5.222 -0.184 0.000) 5.225 3.128 ( -1.865 -1.552 0.000) 2.426 3.165 ( -2.920 -0.550 0.000) 2.971 3.487 ( 4.669 0.558 0.000) 4.702 3.552 ( 0.469 2.723 0.000) 2.763 3.598 ( 2.830 -3.461 0.000) 4.470 3.676 ( -2.435 -3.028 0.000) 3.885 3.926 ( 1.056 3.290 0.000) 3.455 3.997 ( -4.464 1.522 0.000) 4.716 4.106 ( 2.132 -1.379 0.000) 2.539 4.146 ( -2.486 2.132 0.000) 3.275 4.247 ( 1.869 -1.491 0.000) 2.391 4.305 ( -3.830 -0.340 0.000) 3.845 4.612 ( 1.749 -2.926 0.000) 3.409 4.652 ( -2.230 -2.947 0.000) 3.696 5.046 ( 6.416 10.358 0.000) 12.185 5.153 ( -1.806 7.390 0.000) 7.607 5.209 ( 3.316 3.269 0.000) 4.657 5.234 ( 1.983 6.629 0.000) 6.919 5.446 ( 2.619 6.499 0.000) 7.007 5.506 ( -2.906 3.991 0.000) 4.937 5.693 ( 3.137 -2.692 0.000) 4.134 5.757 ( -2.523 -3.451 0.000) 4.275 6.051 ( 6.771 9.276 0.000) 11.484 6.123 ( 1.248 5.309 0.000) 5.453 6.230 ( 2.643 5.352 0.000) 5.969 6.309 ( -1.643 3.689 0.000) 4.038 6.533 ( 6.725 -3.362 0.000) 7.518 6.580 ( 3.066 -2.209 0.000) 3.779 6.723 ( 4.728 -0.153 0.000) 4.731 6.785 ( -1.357 -2.001 0.000) 2.418 7.322 ( 9.614 1.064 0.000) 9.672 7.380 ( 7.956 -0.851 0.000) 8.001 7.456 ( -1.190 0.894 0.000) 1.489 7.543 ( -6.267 -1.384 0.000) 6.418 7.812 ( 6.842 2.462 0.000) 7.272 7.872 ( 3.952 1.380 0.000) 4.186 7.974 ( 3.246 -1.334 0.000) 3.510 8.019 ( 0.870 -2.746 0.000) 2.880 8.216 ( 10.788 2.814 0.000) 11.149 8.289 ( 5.375 1.305 0.000) 5.531 8.390 ( 2.845 2.538 0.000) 3.812 8.420 ( 4.248 -1.904 0.000) 4.655 8.527 ( 4.729 1.554 0.000) 4.977 8.595 ( -1.922 4.155 0.000) 4.578 8.745 ( 3.266 -2.707 0.000) 4.242 8.809 ( 0.214 -1.782 0.000) 1.795 8.913 ( 0.519 -3.463 0.000) 3.502 8.984 ( -3.510 2.388 0.000) 4.245 9.078 ( 3.758 -9.328 0.000) 10.057 9.190 ( -4.818 -9.963 0.000) 11.066 9.365 ( 1.602 2.103 0.000) 2.644 9.417 ( -3.637 0.963 0.000) 3.762 9.518 ( 0.276 -5.886 0.000) 5.892 9.602 ( -6.195 -5.487 0.000) 8.275 10.211 ( 4.236 1.449 0.000) 4.478 10.268 ( 0.167 -0.119 0.000) 0.205 10.313 ( 0.870 1.200 0.000) 1.482 10.347 ( -1.455 1.466 0.000) 2.066 11.768 ( -0.666 6.837 0.000) 6.870 11.789 ( -2.861 3.439 0.000) 4.473 12.184 ( 1.543 -9.183 0.000) 9.312 12.228 ( -2.525 -10.055 0.000) 10.367 12.538 ( 0.827 4.252 0.000) 4.332 12.583 ( -2.850 1.471 0.000) 3.207 12.928 ( 2.254 -0.639 0.000) 2.343 12.961 ( -0.754 -2.252 0.000) 2.375 13.432 ( 2.585 -0.714 0.000) 2.682 13.452 ( 1.268 -0.019 0.000) 1.268 13.655 ( 2.027 1.096 0.000) 2.305 13.703 ( -2.431 0.372 0.000) 2.459 14.086 ( -0.563 3.333 0.000) 3.381 14.115 ( -3.264 1.838 0.000) 3.746 14.279 ( -1.068 3.968 0.000) 4.110 14.287 ( -1.616 4.944 0.000) 5.201 14.852 ( 2.189 -0.465 0.000) 2.238 14.865 ( 1.570 -0.527 0.000) 1.656 15.079 ( 2.451 -5.563 0.000) 6.079 15.090 ( 1.132 -4.613 0.000) 4.750 15.238 ( 6.738 1.971 0.000) 7.021 15.345 ( -2.000 -2.937 0.000) 3.554 15.523 ( -2.111 0.169 0.000) 2.118 15.568 ( -5.590 -0.859 0.000) 5.655 16.058 ( 1.775 -0.424 0.000) 1.825 16.128 ( -4.768 -1.230 0.000) 4.924 16.236 ( -3.086 -3.629 0.000) 4.763 16.250 ( -4.154 -3.202 0.000) 5.245 21.528 ( -0.048 2.511 0.000) 2.511 21.540 ( -1.054 1.907 0.000) 2.179 21.658 ( -0.035 1.907 0.000) 1.907 21.684 ( -2.337 0.722 0.000) 2.446 25.019 ( 1.320 2.776 0.000) 3.073 25.060 ( -2.512 1.641 0.000) 3.000 25.107 ( 0.599 0.535 0.000) 0.803 25.130 ( -1.445 0.278 0.000) 1.471 26.117 ( 5.736 0.011 0.000) 5.736 26.152 ( 2.748 -0.695 0.000) 2.834 26.222 ( 3.969 -1.282 0.000) 4.171 26.228 ( 3.335 -1.812 0.000) 3.795 26.944 ( 2.296 3.303 0.000) 4.023 27.007 ( -3.123 1.169 0.000) 3.335 27.218 ( 0.673 0.973 0.000) 1.182 27.264 ( -2.596 -1.633 0.000) 3.067 27.614 ( 3.207 7.013 0.000) 7.712 27.670 ( -2.945 6.182 0.000) 6.848 28.024 ( 3.231 -5.850 0.000) 6.683 28.065 ( -0.789 -6.781 0.000) 6.827 28.897 ( 1.837 2.141 0.000) 2.821 28.930 ( -1.403 1.709 0.000) 2.211 29.225 ( 1.139 -0.264 0.000) 1.169 29.244 ( -0.732 -0.819 0.000) 1.099 29.480 ( 2.956 4.261 0.000) 5.186 29.561 ( -4.347 3.976 0.000) 5.892 29.903 ( 4.176 -7.456 0.000) 8.546 29.996 ( -4.480 -8.350 0.000) 9.476 31.283 ( 4.006 0.569 0.000) 4.046 31.297 ( 3.628 -0.012 0.000) 3.628 31.402 ( -6.776 2.361 0.000) 7.176 31.450 ( -9.582 0.184 0.000) 9.583 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 -16.526 0.000) 16.526 1.179 ( 0.000 16.526 0.000) 16.526 1.715 ( 0.000 -11.161 0.000) 11.161 1.715 ( 0.000 11.161 0.000) 11.161 1.865 ( 0.000 -16.341 0.000) 16.341 1.865 ( 0.000 16.341 0.000) 16.341 2.211 ( 0.000 -1.996 0.000) 1.996 2.211 ( 0.000 1.996 0.000) 1.996 2.441 ( 0.000 -7.205 0.000) 7.205 2.441 ( 0.000 7.205 0.000) 7.205 2.775 ( 0.000 -5.469 0.000) 5.469 2.775 ( 0.000 5.469 0.000) 5.469 2.996 ( 0.000 -4.064 0.000) 4.064 2.996 ( 0.000 4.064 0.000) 4.064 3.250 ( 0.000 -1.876 0.000) 1.876 3.250 ( 0.000 1.876 0.000) 1.876 3.378 ( 0.000 -2.399 0.000) 2.399 3.378 ( 0.000 2.399 0.000) 2.399 3.712 ( 0.000 -5.480 0.000) 5.480 3.712 ( 0.000 5.480 0.000) 5.480 4.044 ( 0.000 -9.703 0.000) 9.703 4.044 ( 0.000 9.703 0.000) 9.703 4.134 ( 0.000 -11.526 0.000) 11.526 4.134 ( 0.000 11.526 0.000) 11.526 4.341 ( 0.000 -2.275 0.000) 2.275 4.341 ( 0.000 2.275 0.000) 2.275 4.398 ( 0.000 -2.987 0.000) 2.987 4.398 ( 0.000 2.987 0.000) 2.987 4.499 ( 0.000 -0.072 0.000) 0.072 4.499 ( 0.000 0.072 0.000) 0.072 4.736 ( 0.000 -12.779 0.000) 12.779 4.736 ( 0.000 12.779 0.000) 12.779 4.864 ( 0.000 -0.413 0.000) 0.413 4.864 ( 0.000 0.413 0.000) 0.413 5.205 ( 0.000 -1.915 0.000) 1.915 5.205 ( 0.000 1.915 0.000) 1.915 5.486 ( 0.000 -3.354 0.000) 3.354 5.486 ( 0.000 3.354 0.000) 3.354 5.987 ( 0.000 -1.748 0.000) 1.748 5.987 ( 0.000 1.748 0.000) 1.748 6.162 ( 0.000 -2.116 0.000) 2.116 6.162 ( 0.000 2.116 0.000) 2.116 6.435 ( 0.000 -2.212 0.000) 2.212 6.435 ( 0.000 2.212 0.000) 2.212 6.614 ( 0.000 -1.865 0.000) 1.865 6.614 ( 0.000 1.865 0.000) 1.865 6.887 ( 0.000 -3.269 0.000) 3.269 6.887 ( 0.000 3.269 0.000) 3.269 7.002 ( 0.000 -5.705 0.000) 5.705 7.002 ( 0.000 5.705 0.000) 5.705 7.135 ( 0.000 -1.548 0.000) 1.548 7.135 ( 0.000 1.548 0.000) 1.548 7.814 ( 0.000 -8.192 0.000) 8.192 7.814 ( 0.000 8.192 0.000) 8.192 8.325 ( 0.000 -2.399 0.000) 2.399 8.325 ( 0.000 2.399 0.000) 2.399 8.682 ( 0.000 -2.703 0.000) 2.703 8.682 ( 0.000 2.703 0.000) 2.703 8.749 ( 0.000 -13.209 0.000) 13.209 8.749 ( 0.000 13.209 0.000) 13.209 9.116 ( 0.000 -9.943 0.000) 9.943 9.116 ( 0.000 9.943 0.000) 9.943 9.517 ( 0.000 -3.347 0.000) 3.347 9.517 ( 0.000 3.347 0.000) 3.347 9.585 ( 0.000 -8.864 0.000) 8.864 9.585 ( 0.000 8.864 0.000) 8.864 9.762 ( 0.000 -5.889 0.000) 5.889 9.762 ( 0.000 5.889 0.000) 5.889 9.885 ( 0.000 -7.930 0.000) 7.930 9.885 ( 0.000 7.930 0.000) 7.930 10.533 ( 0.000 -5.213 0.000) 5.213 10.533 ( 0.000 5.213 0.000) 5.213 11.746 ( 0.000 -3.235 0.000) 3.235 11.746 ( 0.000 3.235 0.000) 3.235 12.068 ( 0.000 -2.155 0.000) 2.155 12.068 ( 0.000 2.155 0.000) 2.155 12.833 ( 0.000 -7.167 0.000) 7.167 12.833 ( 0.000 7.167 0.000) 7.167 13.090 ( 0.000 -5.042 0.000) 5.042 13.090 ( 0.000 5.042 0.000) 5.042 13.364 ( 0.000 -5.099 0.000) 5.099 13.364 ( 0.000 5.099 0.000) 5.099 13.597 ( 0.000 -0.644 0.000) 0.644 13.597 ( 0.000 0.644 0.000) 0.644 14.131 ( 0.000 -2.657 0.000) 2.657 14.131 ( 0.000 2.657 0.000) 2.657 14.457 ( 0.000 -2.976 0.000) 2.976 14.457 ( 0.000 2.976 0.000) 2.976 14.650 ( 0.000 -3.143 0.000) 3.143 14.650 ( 0.000 3.143 0.000) 3.143 14.878 ( 0.000 -4.600 0.000) 4.600 14.878 ( 0.000 4.600 0.000) 4.600 15.212 ( 0.000 -9.335 0.000) 9.335 15.212 ( 0.000 9.335 0.000) 9.335 15.857 ( 0.000 -7.435 0.000) 7.435 15.857 ( 0.000 7.435 0.000) 7.435 16.543 ( 0.000 -6.145 0.000) 6.145 16.543 ( 0.000 6.145 0.000) 6.145 16.689 ( 0.000 -4.290 0.000) 4.290 16.689 ( 0.000 4.290 0.000) 4.290 21.658 ( 0.000 -0.168 0.000) 0.168 21.658 ( 0.000 0.168 0.000) 0.168 21.983 ( 0.000 -0.219 0.000) 0.219 21.983 ( 0.000 0.219 0.000) 0.219 24.952 ( 0.000 -1.060 0.000) 1.060 24.952 ( 0.000 1.060 0.000) 1.060 25.109 ( 0.000 -1.351 0.000) 1.351 25.109 ( 0.000 1.351 0.000) 1.351 25.561 ( 0.000 -1.829 0.000) 1.829 25.561 ( 0.000 1.829 0.000) 1.829 25.665 ( 0.000 -0.950 0.000) 0.950 25.665 ( 0.000 0.950 0.000) 0.950 26.798 ( 0.000 -2.277 0.000) 2.277 26.798 ( 0.000 2.277 0.000) 2.277 26.924 ( 0.000 -2.902 0.000) 2.902 26.924 ( 0.000 2.902 0.000) 2.902 27.314 ( 0.000 -9.452 0.000) 9.452 27.314 ( 0.000 9.452 0.000) 9.452 28.265 ( 0.000 -5.535 0.000) 5.535 28.265 ( 0.000 5.535 0.000) 5.535 28.785 ( 0.000 -4.599 0.000) 4.599 28.785 ( 0.000 4.599 0.000) 4.599 29.208 ( 0.000 -2.843 0.000) 2.843 29.208 ( 0.000 2.843 0.000) 2.843 29.636 ( 0.000 -0.893 0.000) 0.893 29.636 ( 0.000 0.893 0.000) 0.893 30.281 ( 0.000 -8.065 0.000) 8.065 30.281 ( 0.000 8.065 0.000) 8.065 31.272 ( 0.000 -0.655 0.000) 0.655 31.272 ( 0.000 0.655 0.000) 0.655 32.521 ( 0.000 -16.806 0.000) 16.806 32.521 ( 0.000 16.806 0.000) 16.806 ======================= Grid point 29 (17/60) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 12.541 -8.198 0.000) 14.983 1.369 ( 12.541 8.198 0.000) 14.983 1.780 ( 5.564 -7.676 0.000) 9.480 1.780 ( 5.564 7.676 0.000) 9.480 1.910 ( 4.905 -14.154 0.000) 14.980 1.910 ( 4.905 14.154 0.000) 14.980 2.335 ( 8.445 -5.007 0.000) 9.818 2.335 ( 8.445 5.007 0.000) 9.818 2.454 ( 0.715 -5.098 0.000) 5.148 2.454 ( 0.715 5.098 0.000) 5.148 2.720 ( -3.401 -6.474 0.000) 7.313 2.720 ( -3.401 6.474 0.000) 7.313 3.034 ( 0.287 -4.829 0.000) 4.837 3.034 ( 0.287 4.829 0.000) 4.837 3.230 ( 2.308 -3.021 0.000) 3.802 3.230 ( 2.308 3.021 0.000) 3.802 3.426 ( -0.268 -3.994 0.000) 4.003 3.426 ( -0.268 3.994 0.000) 4.003 3.661 ( -0.718 -6.154 0.000) 6.196 3.661 ( -0.718 6.154 0.000) 6.196 4.057 ( -4.619 -6.919 0.000) 8.320 4.057 ( -4.619 6.919 0.000) 8.320 4.139 ( 5.276 -0.490 0.000) 5.299 4.139 ( 5.276 0.490 0.000) 5.299 4.340 ( -1.315 -7.214 0.000) 7.333 4.340 ( -1.315 7.214 0.000) 7.333 4.421 ( 5.950 -7.676 0.000) 9.712 4.421 ( 5.950 7.676 0.000) 9.712 4.610 ( 8.402 -2.159 0.000) 8.675 4.610 ( 8.402 2.159 0.000) 8.675 4.884 ( 9.887 -8.005 0.000) 12.721 4.884 ( 9.887 8.005 0.000) 12.721 4.939 ( 8.139 -2.624 0.000) 8.551 4.939 ( 8.139 2.624 0.000) 8.551 5.276 ( 7.748 -4.135 0.000) 8.783 5.276 ( 7.748 4.135 0.000) 8.783 5.632 ( 11.846 -5.781 0.000) 13.181 5.632 ( 11.846 5.781 0.000) 13.181 5.977 ( 0.064 -1.635 0.000) 1.636 5.977 ( 0.064 1.635 0.000) 1.636 6.313 ( 9.879 -1.251 0.000) 9.958 6.313 ( 9.879 1.251 0.000) 9.958 6.530 ( 1.664 -3.654 0.000) 4.016 6.530 ( 1.664 3.654 0.000) 4.016 6.615 ( 11.611 -2.043 0.000) 11.790 6.615 ( 11.611 2.043 0.000) 11.790 7.000 ( 5.741 -9.021 0.000) 10.693 7.000 ( 5.741 9.021 0.000) 10.693 7.043 ( 6.064 -3.822 0.000) 7.168 7.043 ( 6.064 3.822 0.000) 7.168 7.257 ( 12.586 -9.332 0.000) 15.668 7.257 ( 12.586 9.332 0.000) 15.668 7.806 ( -0.465 -6.855 0.000) 6.871 7.806 ( -0.465 6.855 0.000) 6.871 8.280 ( -3.812 -2.283 0.000) 4.444 8.280 ( -3.812 2.283 0.000) 4.444 8.625 ( -3.826 -11.193 0.000) 11.829 8.625 ( -3.826 11.193 0.000) 11.829 8.754 ( -0.158 -7.882 0.000) 7.884 8.754 ( -0.158 7.882 0.000) 7.884 9.111 ( -2.292 -3.562 0.000) 4.236 9.111 ( -2.292 3.562 0.000) 4.236 9.364 ( -8.342 -8.856 0.000) 12.166 9.364 ( -8.342 8.856 0.000) 12.166 9.567 ( -3.510 -10.799 0.000) 11.355 9.567 ( -3.510 10.799 0.000) 11.355 9.757 ( -0.671 -4.673 0.000) 4.721 9.757 ( -0.671 4.673 0.000) 4.721 9.983 ( 6.532 -7.126 0.000) 9.667 9.983 ( 6.532 7.126 0.000) 9.667 10.490 ( -3.623 -4.330 0.000) 5.646 10.490 ( -3.623 4.330 0.000) 5.646 11.806 ( 5.252 -3.075 0.000) 6.086 11.806 ( 5.252 3.075 0.000) 6.086 12.067 ( -0.392 -4.725 0.000) 4.741 12.067 ( -0.392 4.725 0.000) 4.741 12.807 ( -2.191 -6.635 0.000) 6.988 12.807 ( -2.191 6.635 0.000) 6.988 13.133 ( 2.734 -5.151 0.000) 5.831 13.133 ( 2.734 5.151 0.000) 5.831 13.205 ( -11.533 -3.905 0.000) 12.176 13.205 ( -11.533 3.905 0.000) 12.176 13.602 ( 2.022 -4.809 0.000) 5.217 13.602 ( 2.022 4.809 0.000) 5.217 14.234 ( 5.352 -4.062 0.000) 6.719 14.234 ( 5.352 4.062 0.000) 6.719 14.464 ( 0.427 -5.945 0.000) 5.960 14.464 ( 0.427 5.945 0.000) 5.960 14.642 ( 0.400 -3.512 0.000) 3.535 14.642 ( 0.400 3.512 0.000) 3.535 14.879 ( 0.138 -4.786 0.000) 4.788 14.879 ( 0.138 4.786 0.000) 4.788 15.200 ( -0.782 -8.866 0.000) 8.900 15.200 ( -0.782 8.866 0.000) 8.900 15.818 ( -3.457 -6.650 0.000) 7.495 15.818 ( -3.457 6.650 0.000) 7.495 16.485 ( -5.326 -6.031 0.000) 8.046 16.485 ( -5.326 6.031 0.000) 8.046 16.633 ( -5.064 -2.389 0.000) 5.599 16.633 ( -5.064 2.389 0.000) 5.599 21.644 ( -1.247 -0.342 0.000) 1.293 21.644 ( -1.247 0.342 0.000) 1.293 21.933 ( -4.274 -0.234 0.000) 4.280 21.933 ( -4.274 0.234 0.000) 4.280 25.004 ( 4.102 -1.257 0.000) 4.290 25.004 ( 4.102 1.257 0.000) 4.290 25.159 ( 2.555 -1.305 0.000) 2.869 25.159 ( 2.555 1.305 0.000) 2.869 25.604 ( 5.372 -1.711 0.000) 5.637 25.604 ( 5.372 1.711 0.000) 5.637 25.689 ( 3.129 -2.080 0.000) 3.758 25.689 ( 3.129 2.080 0.000) 3.758 26.838 ( 3.325 -2.143 0.000) 3.956 26.838 ( 3.325 2.143 0.000) 3.956 27.078 ( 13.162 -4.286 0.000) 13.842 27.078 ( 13.162 4.286 0.000) 13.842 27.330 ( 1.430 -9.071 0.000) 9.183 27.330 ( 1.430 9.071 0.000) 9.183 28.203 ( -5.612 -4.280 0.000) 7.058 28.203 ( -5.612 4.280 0.000) 7.058 28.806 ( 1.907 -4.531 0.000) 4.916 28.806 ( 1.907 4.531 0.000) 4.916 29.210 ( 0.288 -2.561 0.000) 2.577 29.210 ( 0.288 2.561 0.000) 2.577 29.604 ( -2.751 -0.367 0.000) 2.775 29.604 ( -2.751 0.367 0.000) 2.775 30.228 ( -4.880 -7.655 0.000) 9.078 30.228 ( -4.880 7.655 0.000) 9.078 31.260 ( -1.058 -0.888 0.000) 1.381 31.260 ( -1.058 0.888 0.000) 1.381 32.361 ( -13.980 -12.885 0.000) 19.012 32.361 ( -13.980 12.885 0.000) 19.012 ======================= Grid point 31 (18/60) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 5.155 -8.431 0.000) 9.882 1.555 ( 5.155 8.431 0.000) 9.882 1.851 ( -1.032 -5.923 0.000) 6.012 1.851 ( -1.032 5.923 0.000) 6.012 2.065 ( 9.282 -10.039 0.000) 13.672 2.065 ( 9.282 10.039 0.000) 13.672 2.379 ( -1.645 -1.670 0.000) 2.344 2.379 ( -1.645 1.670 0.000) 2.344 2.524 ( 3.279 -6.551 0.000) 7.326 2.524 ( 3.279 6.551 0.000) 7.326 2.685 ( 0.678 -2.714 0.000) 2.797 2.685 ( 0.678 2.714 0.000) 2.797 3.031 ( -0.673 -3.465 0.000) 3.530 3.031 ( -0.673 3.465 0.000) 3.530 3.303 ( 1.891 -1.655 0.000) 2.513 3.303 ( 1.891 1.655 0.000) 2.513 3.386 ( 1.265 -4.095 0.000) 4.286 3.386 ( 1.265 4.095 0.000) 4.286 3.646 ( -3.695 -9.090 0.000) 9.812 3.646 ( -3.695 9.090 0.000) 9.812 3.982 ( -1.121 -3.452 0.000) 3.629 3.982 ( -1.121 3.452 0.000) 3.629 4.226 ( 0.669 -2.770 0.000) 2.849 4.226 ( 0.669 2.770 0.000) 2.849 4.335 ( 1.040 -9.153 0.000) 9.212 4.335 ( 1.040 9.153 0.000) 9.212 4.544 ( 4.097 -7.570 0.000) 8.607 4.544 ( 4.097 7.570 0.000) 8.607 4.801 ( 9.843 -3.148 0.000) 10.334 4.801 ( 9.843 3.148 0.000) 10.334 5.091 ( 9.389 -1.046 0.000) 9.447 5.091 ( 9.389 1.046 0.000) 9.447 5.194 ( 15.274 -2.759 0.000) 15.521 5.194 ( 15.274 2.759 0.000) 15.521 5.498 ( 11.314 -3.180 0.000) 11.753 5.498 ( 11.314 3.180 0.000) 11.753 5.821 ( 4.507 -3.680 0.000) 5.819 5.821 ( 4.507 3.680 0.000) 5.819 6.088 ( 11.270 -3.400 0.000) 11.772 6.088 ( 11.270 3.400 0.000) 11.772 6.406 ( 1.315 -1.008 0.000) 1.657 6.406 ( 1.315 1.008 0.000) 1.657 6.651 ( 8.039 -5.070 0.000) 9.504 6.651 ( 8.039 5.070 0.000) 9.504 6.881 ( 8.026 -0.522 0.000) 8.042 6.881 ( 8.026 0.522 0.000) 8.042 7.173 ( 17.007 -2.564 0.000) 17.199 7.173 ( 17.007 2.564 0.000) 17.199 7.343 ( 18.966 -13.216 0.000) 23.117 7.343 ( 18.966 13.216 0.000) 23.117 7.583 ( 16.489 -5.618 0.000) 17.419 7.583 ( 16.489 5.618 0.000) 17.419 7.817 ( 2.362 -3.887 0.000) 4.548 7.817 ( 2.362 3.887 0.000) 4.548 8.213 ( -1.092 -4.321 0.000) 4.457 8.213 ( -1.092 4.321 0.000) 4.457 8.556 ( -2.498 -13.108 0.000) 13.344 8.556 ( -2.498 13.108 0.000) 13.344 8.750 ( 0.129 -3.244 0.000) 3.247 8.750 ( 0.129 3.244 0.000) 3.247 8.985 ( -7.803 -2.890 0.000) 8.321 8.985 ( -7.803 2.890 0.000) 8.321 9.266 ( -2.393 -8.903 0.000) 9.218 9.266 ( -2.393 8.903 0.000) 9.218 9.462 ( -5.813 -9.976 0.000) 11.546 9.462 ( -5.813 9.976 0.000) 11.546 9.725 ( -2.848 -4.083 0.000) 4.979 9.725 ( -2.848 4.083 0.000) 4.979 10.094 ( 4.097 -2.885 0.000) 5.011 10.094 ( 4.097 2.885 0.000) 5.011 10.415 ( -2.909 -3.401 0.000) 4.476 10.415 ( -2.909 3.401 0.000) 4.476 11.919 ( 3.719 -3.552 0.000) 5.143 11.919 ( 3.719 3.552 0.000) 5.143 12.049 ( -0.417 -9.029 0.000) 9.039 12.049 ( -0.417 9.029 0.000) 9.039 12.752 ( -3.567 -5.288 0.000) 6.379 12.752 ( -3.567 5.288 0.000) 6.379 12.950 ( -8.247 -4.092 0.000) 9.207 12.950 ( -8.247 4.092 0.000) 9.207 13.252 ( 5.816 -1.650 0.000) 6.046 13.252 ( 5.816 1.650 0.000) 6.046 13.662 ( 2.900 -6.197 0.000) 6.842 13.662 ( 2.900 6.197 0.000) 6.842 14.261 ( -2.123 -5.779 0.000) 6.157 14.261 ( -2.123 5.779 0.000) 6.157 14.442 ( -2.607 -4.952 0.000) 5.597 14.442 ( -2.607 4.952 0.000) 5.597 14.710 ( 5.151 -4.306 0.000) 6.714 14.710 ( 5.151 4.306 0.000) 6.714 14.892 ( 1.571 -4.958 0.000) 5.201 14.892 ( 1.571 4.958 0.000) 5.201 15.197 ( 0.754 -7.719 0.000) 7.755 15.197 ( 0.754 7.719 0.000) 7.755 15.729 ( -4.815 -4.895 0.000) 6.866 15.729 ( -4.815 4.895 0.000) 6.866 16.340 ( -8.052 -7.426 0.000) 10.953 16.340 ( -8.052 7.426 0.000) 10.953 16.497 ( -7.599 -0.731 0.000) 7.635 16.497 ( -7.599 0.731 0.000) 7.635 21.611 ( -1.785 -0.586 0.000) 1.879 21.611 ( -1.785 0.586 0.000) 1.879 21.831 ( -4.959 -1.064 0.000) 5.072 21.831 ( -4.959 1.064 0.000) 5.072 25.071 ( 1.410 -2.171 0.000) 2.588 25.071 ( 1.410 2.171 0.000) 2.588 25.169 ( -0.822 -0.972 0.000) 1.273 25.169 ( -0.822 0.972 0.000) 1.273 25.767 ( 8.913 -1.770 0.000) 9.087 25.767 ( 8.913 1.770 0.000) 9.087 25.843 ( 11.494 -1.725 0.000) 11.622 25.843 ( 11.494 1.725 0.000) 11.622 26.916 ( 3.707 -3.232 0.000) 4.918 26.916 ( 3.707 3.232 0.000) 4.918 27.327 ( 3.159 -2.705 0.000) 4.159 27.327 ( 3.159 2.705 0.000) 4.159 27.409 ( 11.204 -4.503 0.000) 12.075 27.409 ( 11.204 4.503 0.000) 12.075 28.064 ( -6.638 -0.654 0.000) 6.670 28.064 ( -6.638 0.654 0.000) 6.670 28.857 ( 2.742 -4.325 0.000) 5.121 28.857 ( 2.742 4.325 0.000) 5.121 29.220 ( 0.593 -1.947 0.000) 2.035 29.220 ( 0.593 1.947 0.000) 2.035 29.546 ( -2.174 -2.850 0.000) 3.585 29.546 ( -2.174 2.850 0.000) 3.585 30.098 ( -7.069 -7.240 0.000) 10.119 30.098 ( -7.069 7.240 0.000) 10.119 31.238 ( -0.761 -1.111 0.000) 1.346 31.238 ( -0.761 1.111 0.000) 1.346 32.016 ( -17.519 -6.860 0.000) 18.814 32.016 ( -17.519 6.860 0.000) 18.814 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -1.411 -7.753 0.000) 7.880 1.592 ( -1.411 7.753 0.000) 7.880 1.751 ( -6.187 -6.959 0.000) 9.311 1.751 ( -6.187 6.959 0.000) 9.311 2.262 ( 8.310 -2.221 0.000) 8.601 2.262 ( 8.310 2.221 0.000) 8.601 2.371 ( 0.951 -6.003 0.000) 6.078 2.371 ( 0.951 6.003 0.000) 6.078 2.569 ( 2.957 -4.077 0.000) 5.036 2.569 ( 2.957 4.077 0.000) 5.036 2.731 ( 2.720 -1.562 0.000) 3.136 2.731 ( 2.720 1.562 0.000) 3.136 2.959 ( -4.913 -4.149 0.000) 6.430 2.959 ( -4.913 4.149 0.000) 6.430 3.274 ( -3.772 -3.244 0.000) 4.975 3.274 ( -3.772 3.244 0.000) 4.975 3.509 ( 1.051 -3.373 0.000) 3.533 3.509 ( 1.051 3.373 0.000) 3.533 3.550 ( 2.419 -5.264 0.000) 5.793 3.550 ( 2.419 5.264 0.000) 5.793 3.986 ( 0.449 -1.984 0.000) 2.034 3.986 ( 0.449 1.984 0.000) 2.034 4.176 ( -4.135 -3.322 0.000) 5.304 4.176 ( -4.135 3.322 0.000) 5.304 4.334 ( -1.583 -6.358 0.000) 6.552 4.334 ( -1.583 6.358 0.000) 6.552 4.590 ( 0.758 -5.201 0.000) 5.256 4.590 ( 0.758 5.201 0.000) 5.256 5.011 ( 9.826 -3.239 0.000) 10.346 5.011 ( 9.826 3.239 0.000) 10.346 5.237 ( 4.838 -2.440 0.000) 5.418 5.237 ( 4.838 2.440 0.000) 5.418 5.459 ( 7.203 -2.877 0.000) 7.756 5.459 ( 7.203 2.877 0.000) 7.756 5.658 ( 3.883 -5.818 0.000) 6.995 5.658 ( 3.883 5.818 0.000) 6.995 5.965 ( 10.736 -3.607 0.000) 11.326 5.965 ( 10.736 3.607 0.000) 11.326 6.287 ( 5.574 -0.769 0.000) 5.627 6.287 ( 5.574 0.769 0.000) 5.627 6.468 ( 4.234 -4.893 0.000) 6.470 6.468 ( 4.234 4.893 0.000) 6.470 6.701 ( 0.113 -6.815 0.000) 6.816 6.701 ( 0.113 6.815 0.000) 6.816 7.120 ( 13.103 -2.361 0.000) 13.313 7.120 ( 13.103 2.361 0.000) 13.313 7.474 ( 7.397 -4.299 0.000) 8.556 7.474 ( 7.397 4.299 0.000) 8.556 7.722 ( 14.586 -4.645 0.000) 15.308 7.722 ( 14.586 4.645 0.000) 15.308 7.869 ( 8.487 -5.607 0.000) 10.172 7.869 ( 8.487 5.607 0.000) 10.172 7.953 ( 13.542 -3.704 0.000) 14.040 7.953 ( 13.542 3.704 0.000) 14.040 8.280 ( 6.904 -4.743 0.000) 8.376 8.280 ( 6.904 4.743 0.000) 8.376 8.543 ( 1.960 -10.969 0.000) 11.143 8.543 ( 1.960 10.969 0.000) 11.143 8.754 ( -0.579 -2.885 0.000) 2.943 8.754 ( -0.579 2.885 0.000) 2.943 8.874 ( -1.383 -4.958 0.000) 5.147 8.874 ( -1.383 4.958 0.000) 5.147 9.192 ( -5.741 -7.071 0.000) 9.109 9.192 ( -5.741 7.071 0.000) 9.109 9.378 ( -0.940 -7.083 0.000) 7.145 9.378 ( -0.940 7.083 0.000) 7.145 9.627 ( -6.311 -4.758 0.000) 7.904 9.627 ( -6.311 4.758 0.000) 7.904 10.173 ( 3.899 -2.117 0.000) 4.436 10.173 ( 3.899 2.117 0.000) 4.436 10.373 ( -1.496 -2.840 0.000) 3.210 10.373 ( -1.496 2.840 0.000) 3.210 11.909 ( -2.903 -2.750 0.000) 3.999 11.909 ( -2.903 2.750 0.000) 3.999 12.078 ( 1.384 -6.648 0.000) 6.790 12.078 ( 1.384 6.648 0.000) 6.790 12.650 ( -4.611 -1.517 0.000) 4.855 12.650 ( -4.611 1.517 0.000) 4.855 12.892 ( 1.120 -2.012 0.000) 2.303 12.892 ( 1.120 2.012 0.000) 2.303 13.365 ( 4.651 -0.792 0.000) 4.718 13.365 ( 4.651 0.792 0.000) 4.718 13.698 ( 0.366 -4.620 0.000) 4.635 13.698 ( 0.366 4.620 0.000) 4.635 14.190 ( -3.769 -2.936 0.000) 4.778 14.190 ( -3.769 2.936 0.000) 4.778 14.381 ( -2.775 -1.963 0.000) 3.399 14.381 ( -2.775 1.963 0.000) 3.399 14.803 ( 3.555 -0.866 0.000) 3.659 14.803 ( 3.555 0.866 0.000) 3.659 14.953 ( 3.795 -2.953 0.000) 4.809 14.953 ( 3.795 2.953 0.000) 4.809 15.231 ( 2.362 -6.209 0.000) 6.643 15.231 ( 2.362 6.209 0.000) 6.643 15.628 ( -4.764 -3.380 0.000) 5.841 15.628 ( -4.764 3.380 0.000) 5.841 16.178 ( -6.854 -6.546 0.000) 9.478 16.178 ( -6.854 6.546 0.000) 9.478 16.335 ( -7.419 -1.378 0.000) 7.546 16.335 ( -7.419 1.378 0.000) 7.546 21.577 ( -1.369 -0.600 0.000) 1.495 21.577 ( -1.369 0.600 0.000) 1.495 21.739 ( -3.696 -1.450 0.000) 3.970 21.739 ( -3.696 1.450 0.000) 3.970 25.070 ( -0.623 -2.687 0.000) 2.758 25.070 ( -0.623 2.687 0.000) 2.758 25.148 ( -1.211 -1.285 0.000) 1.766 25.148 ( -1.211 1.285 0.000) 1.766 25.968 ( 9.693 -2.161 0.000) 9.931 25.968 ( 9.693 2.161 0.000) 9.931 26.077 ( 9.521 -0.523 0.000) 9.536 26.077 ( 9.521 0.523 0.000) 9.536 26.978 ( 2.102 -3.590 0.000) 4.160 26.978 ( 2.102 3.590 0.000) 4.160 27.306 ( -3.238 -0.368 0.000) 3.259 27.306 ( -3.238 0.368 0.000) 3.259 27.630 ( 7.706 -6.854 0.000) 10.313 27.630 ( 7.706 6.854 0.000) 10.313 27.969 ( -1.995 -3.398 0.000) 3.940 27.969 ( -1.995 3.398 0.000) 3.940 28.908 ( 1.929 -3.316 0.000) 3.836 28.908 ( 1.929 3.316 0.000) 3.836 29.229 ( 0.176 -1.554 0.000) 1.564 29.229 ( 0.176 1.554 0.000) 1.564 29.534 ( 1.105 -5.394 0.000) 5.506 29.534 ( 1.105 5.394 0.000) 5.506 29.956 ( -6.194 -7.081 0.000) 9.408 29.956 ( -6.194 7.081 0.000) 9.408 31.239 ( 1.094 -0.893 0.000) 1.412 31.239 ( 1.094 0.893 0.000) 1.412 31.680 ( -14.194 -3.258 0.000) 14.563 31.680 ( -14.194 3.258 0.000) 14.563 ======================= Grid point 35 (20/60) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.689 -2.654 0.000) 3.778 1.531 ( -2.689 2.654 0.000) 3.778 1.666 ( -1.851 -1.571 0.000) 2.428 1.666 ( -1.851 1.571 0.000) 2.428 2.335 ( 0.133 -2.046 0.000) 2.050 2.335 ( 0.133 2.046 0.000) 2.050 2.436 ( 3.190 -2.791 0.000) 4.239 2.436 ( 3.190 2.792 0.000) 4.239 2.650 ( 3.218 -2.297 0.000) 3.953 2.650 ( 3.218 2.297 0.000) 3.953 2.772 ( 0.759 -5.022 0.000) 5.079 2.772 ( 0.759 5.022 0.000) 5.079 2.905 ( 0.867 -2.603 0.000) 2.744 2.905 ( 0.867 2.603 0.000) 2.744 3.140 ( -7.149 -2.013 0.000) 7.427 3.140 ( -7.149 2.013 0.000) 7.427 3.518 ( 2.704 -2.477 0.000) 3.667 3.518 ( 2.704 2.477 0.000) 3.667 3.627 ( 0.316 -2.679 0.000) 2.697 3.627 ( 0.316 2.679 0.000) 2.697 3.996 ( 0.644 -3.271 0.000) 3.334 3.996 ( 0.644 3.271 0.000) 3.334 4.097 ( -2.542 -3.367 0.000) 4.218 4.097 ( -2.542 3.367 0.000) 4.218 4.297 ( -1.228 -2.354 0.000) 2.655 4.297 ( -1.228 2.354 0.000) 2.655 4.590 ( -0.307 -1.765 0.000) 1.792 4.590 ( -0.307 1.765 0.000) 1.792 5.186 ( 6.460 -3.347 0.000) 7.275 5.186 ( 6.460 3.347 0.000) 7.275 5.284 ( -0.724 -1.980 0.000) 2.108 5.284 ( -0.723 1.980 0.000) 2.108 5.526 ( 1.414 -2.043 0.000) 2.485 5.526 ( 1.414 2.043 0.000) 2.485 5.686 ( -0.509 -2.781 0.000) 2.827 5.686 ( -0.509 2.781 0.000) 2.827 6.184 ( 7.917 -1.453 0.000) 8.050 6.184 ( 7.917 1.453 0.000) 8.050 6.317 ( -1.449 -3.239 0.000) 3.549 6.317 ( -1.449 3.240 0.000) 3.549 6.530 ( 1.356 -2.577 0.000) 2.912 6.530 ( 1.356 2.577 0.000) 2.912 6.734 ( 1.879 -2.136 0.000) 2.845 6.734 ( 1.879 2.136 0.000) 2.845 7.354 ( 9.215 -1.786 0.000) 9.386 7.354 ( 9.215 1.786 0.000) 9.386 7.496 ( -3.761 -2.849 0.000) 4.718 7.496 ( -3.761 2.849 0.000) 4.718 7.870 ( 1.795 -2.508 0.000) 3.084 7.870 ( 1.795 2.508 0.000) 3.084 7.978 ( 2.991 -1.714 0.000) 3.447 7.978 ( 2.991 1.714 0.000) 3.447 8.270 ( 11.581 -2.654 0.000) 11.881 8.270 ( 11.581 2.654 0.000) 11.881 8.393 ( 1.860 -0.620 0.000) 1.961 8.393 ( 1.860 0.620 0.000) 1.961 8.633 ( 5.118 -8.148 0.000) 9.622 8.633 ( 5.118 8.148 0.000) 9.622 8.714 ( -2.702 -6.734 0.000) 7.256 8.714 ( -2.702 6.734 0.000) 7.256 8.926 ( 5.014 -5.143 0.000) 7.183 8.926 ( 5.014 5.144 0.000) 7.183 9.054 ( -6.605 -4.147 0.000) 7.799 9.054 ( -6.605 4.147 0.000) 7.799 9.405 ( 2.532 -2.688 0.000) 3.693 9.405 ( 2.532 2.688 0.000) 3.693 9.495 ( -5.397 -4.489 0.000) 7.019 9.495 ( -5.397 4.489 0.000) 7.019 10.249 ( 2.801 -1.876 0.000) 3.372 10.249 ( 2.801 1.877 0.000) 3.372 10.342 ( -1.411 -1.504 0.000) 2.062 10.342 ( -1.411 1.504 0.000) 2.062 11.858 ( -1.444 -1.239 0.000) 1.903 11.858 ( -1.444 1.239 0.000) 1.903 12.076 ( -0.840 -2.397 0.000) 2.540 12.076 ( -0.840 2.397 0.000) 2.540 12.597 ( -0.841 -1.046 0.000) 1.342 12.597 ( -0.841 1.046 0.000) 1.342 12.928 ( 1.370 -0.889 0.000) 1.634 12.928 ( 1.370 0.889 0.000) 1.634 13.434 ( 1.824 -0.991 0.000) 2.075 13.434 ( 1.824 0.991 0.000) 2.075 13.689 ( -0.695 -1.649 0.000) 1.790 13.689 ( -0.695 1.649 0.000) 1.790 14.130 ( -1.667 -0.606 0.000) 1.774 14.130 ( -1.667 0.606 0.000) 1.774 14.338 ( -1.136 -0.651 0.000) 1.309 14.338 ( -1.136 0.651 0.000) 1.309 14.858 ( 1.507 -0.637 0.000) 1.636 14.858 ( 1.507 0.637 0.000) 1.636 15.018 ( 1.859 -0.902 0.000) 2.066 15.018 ( 1.859 0.902 0.000) 2.066 15.286 ( 2.291 -2.921 0.000) 3.712 15.286 ( 2.291 2.921 0.000) 3.712 15.539 ( -3.189 -1.548 0.000) 3.545 15.539 ( -3.189 1.548 0.000) 3.545 16.080 ( -2.322 -2.569 0.000) 3.462 16.080 ( -2.322 2.569 0.000) 3.462 16.214 ( -3.484 -0.694 0.000) 3.553 16.214 ( -3.484 0.694 0.000) 3.553 21.557 ( -0.452 -0.279 0.000) 0.531 21.557 ( -0.452 0.279 0.000) 0.531 21.685 ( -1.413 -0.701 0.000) 1.578 21.685 ( -1.413 0.701 0.000) 1.578 25.063 ( -0.055 -1.405 0.000) 1.406 25.063 ( -0.055 1.405 0.000) 1.406 25.123 ( -0.849 -0.880 0.000) 1.223 25.123 ( -0.849 0.880 0.000) 1.223 26.131 ( 4.972 -1.237 0.000) 5.124 26.131 ( 4.972 1.237 0.000) 5.124 26.208 ( 2.883 -0.334 0.000) 2.902 26.208 ( 2.883 0.334 0.000) 2.902 27.000 ( 0.214 -1.924 0.000) 1.936 27.000 ( 0.214 1.924 0.000) 1.936 27.238 ( -2.146 -1.180 0.000) 2.449 27.238 ( -2.146 1.180 0.000) 2.449 27.725 ( 1.934 -2.428 0.000) 3.104 27.725 ( 1.934 2.428 0.000) 3.104 27.963 ( 0.426 -1.803 0.000) 1.853 27.963 ( 0.426 1.803 0.000) 1.853 28.933 ( 0.549 -1.214 0.000) 1.332 28.933 ( 0.549 1.214 0.000) 1.332 29.230 ( 0.015 -0.628 0.000) 0.628 29.230 ( 0.015 0.628 0.000) 0.628 29.571 ( 1.593 -3.813 0.000) 4.133 29.571 ( 1.593 3.813 0.000) 4.133 29.857 ( -2.813 -4.075 0.000) 4.952 29.857 ( -2.813 4.075 0.000) 4.952 31.293 ( 4.240 -0.399 0.000) 4.259 31.293 ( 4.240 0.399 0.000) 4.259 31.439 ( -8.876 -1.293 0.000) 8.970 31.439 ( -8.876 1.293 0.000) 8.970 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 0.000 31.535) 31.535 0.677 ( 0.000 0.000 32.146) 32.146 1.115 ( 0.000 0.000 55.325) 55.325 1.618 ( 0.000 0.000 -17.415) 17.415 1.805 ( 0.000 0.000 -24.100) 24.100 2.326 ( 0.000 0.000 -1.348) 1.348 2.329 ( 0.000 0.000 5.467) 5.467 2.417 ( 0.000 0.000 -3.932) 3.932 2.610 ( 0.000 0.000 -2.932) 2.932 2.832 ( 0.000 0.000 0.261) 0.261 2.838 ( 0.000 0.000 10.274) 10.274 3.005 ( 0.000 0.000 -26.557) 26.557 3.093 ( 0.000 0.000 5.237) 5.237 3.131 ( 0.000 0.000 -6.736) 6.736 3.161 ( 0.000 0.000 -4.363) 4.363 3.327 ( 0.000 0.000 11.871) 11.871 3.404 ( 0.000 0.000 7.201) 7.201 3.432 ( 0.000 0.000 -5.029) 5.029 3.555 ( 0.000 0.000 8.240) 8.240 3.686 ( 0.000 0.000 -1.310) 1.310 3.734 ( 0.000 0.000 -9.018) 9.018 3.847 ( 0.000 0.000 7.440) 7.440 3.880 ( 0.000 0.000 -4.837) 4.837 4.021 ( 0.000 0.000 6.955) 6.955 4.109 ( 0.000 0.000 -5.535) 5.535 4.201 ( 0.000 0.000 12.565) 12.565 4.396 ( 0.000 0.000 -1.322) 1.322 4.486 ( 0.000 0.000 -2.351) 2.351 4.489 ( 0.000 0.000 -9.226) 9.226 4.569 ( 0.000 0.000 -5.135) 5.135 4.643 ( 0.000 0.000 -0.904) 0.904 4.729 ( 0.000 0.000 -11.643) 11.643 4.735 ( 0.000 0.000 8.179) 8.179 4.964 ( 0.000 0.000 3.949) 3.949 5.032 ( 0.000 0.000 7.132) 7.132 5.287 ( 0.000 0.000 -1.492) 1.492 5.632 ( 0.000 0.000 -2.245) 2.245 5.677 ( 0.000 0.000 -1.395) 1.395 5.881 ( 0.000 0.000 7.076) 7.076 6.090 ( 0.000 0.000 -4.600) 4.600 6.119 ( 0.000 0.000 -1.673) 1.673 6.139 ( 0.000 0.000 -2.399) 2.399 6.393 ( 0.000 0.000 -1.087) 1.087 6.452 ( 0.000 0.000 -0.806) 0.806 6.582 ( 0.000 0.000 -0.451) 0.451 6.608 ( 0.000 0.000 -1.746) 1.746 6.757 ( 0.000 0.000 -3.490) 3.490 6.757 ( 0.000 0.000 -1.059) 1.059 7.098 ( 0.000 0.000 9.494) 9.494 7.134 ( 0.000 0.000 4.441) 4.441 7.161 ( 0.000 0.000 5.477) 5.477 7.371 ( 0.000 0.000 -1.085) 1.085 7.659 ( 0.000 0.000 10.942) 10.942 7.918 ( 0.000 0.000 -5.990) 5.990 7.941 ( 0.000 0.000 -6.223) 6.223 8.350 ( 0.000 0.000 -17.012) 17.012 8.486 ( 0.000 0.000 2.448) 2.448 8.488 ( 0.000 0.000 5.020) 5.020 8.684 ( 0.000 0.000 8.976) 8.976 8.788 ( 0.000 0.000 -0.666) 0.666 8.950 ( 0.000 0.000 -1.668) 1.668 9.084 ( 0.000 0.000 -10.127) 10.127 9.320 ( 0.000 0.000 -0.435) 0.435 9.384 ( 0.000 0.000 3.235) 3.235 9.687 ( 0.000 0.000 3.831) 3.831 9.831 ( 0.000 0.000 -2.745) 2.745 9.838 ( 0.000 0.000 4.175) 4.175 9.972 ( 0.000 0.000 -1.446) 1.446 10.102 ( 0.000 0.000 4.956) 4.956 10.220 ( 0.000 0.000 -0.526) 0.526 10.348 ( 0.000 0.000 6.729) 6.729 10.710 ( 0.000 0.000 -7.046) 7.046 11.451 ( 0.000 0.000 3.428) 3.428 11.638 ( 0.000 0.000 -3.286) 3.286 12.151 ( 0.000 0.000 0.884) 0.884 12.240 ( 0.000 0.000 -3.190) 3.190 12.874 ( 0.000 0.000 0.782) 0.782 12.899 ( 0.000 0.000 -0.417) 0.417 13.218 ( 0.000 0.000 1.720) 1.720 13.374 ( 0.000 0.000 -5.122) 5.122 13.451 ( 0.000 0.000 1.515) 1.515 13.467 ( 0.000 0.000 0.956) 0.956 13.520 ( 0.000 0.000 0.957) 0.957 13.592 ( 0.000 0.000 -2.103) 2.103 14.072 ( 0.000 0.000 0.777) 0.777 14.075 ( 0.000 0.000 4.054) 4.054 14.216 ( 0.000 0.000 -1.511) 1.511 14.312 ( 0.000 0.000 -3.555) 3.555 14.522 ( 0.000 0.000 5.312) 5.312 14.616 ( 0.000 0.000 -0.168) 0.168 14.835 ( 0.000 0.000 3.041) 3.041 15.102 ( 0.000 0.000 -7.732) 7.732 15.588 ( 0.000 0.000 1.259) 1.259 15.619 ( 0.000 0.000 -0.302) 0.302 15.824 ( 0.000 0.000 6.263) 6.263 16.113 ( 0.000 0.000 3.538) 3.538 16.154 ( 0.000 0.000 -8.262) 8.262 16.271 ( 0.000 0.000 -2.471) 2.471 16.868 ( 0.000 0.000 2.225) 2.225 16.925 ( 0.000 0.000 -0.462) 0.462 21.536 ( 0.000 0.000 1.932) 1.932 21.660 ( 0.000 0.000 -3.224) 3.224 21.730 ( 0.000 0.000 2.285) 2.285 21.825 ( 0.000 0.000 -1.446) 1.446 24.907 ( 0.000 0.000 0.864) 0.864 24.957 ( 0.000 0.000 -1.231) 1.231 25.100 ( 0.000 0.000 0.526) 0.526 25.127 ( 0.000 0.000 -0.565) 0.565 25.439 ( 0.000 0.000 1.078) 1.078 25.519 ( 0.000 0.000 -2.916) 2.916 25.648 ( 0.000 0.000 2.957) 2.957 25.716 ( 0.000 0.000 -0.553) 0.553 26.746 ( 0.000 0.000 0.797) 0.797 26.792 ( 0.000 0.000 -1.090) 1.090 26.879 ( 0.000 0.000 0.184) 0.184 26.886 ( 0.000 0.000 -0.077) 0.077 27.651 ( 0.000 0.000 -0.119) 0.119 27.679 ( 0.000 0.000 -2.216) 2.216 28.051 ( 0.000 0.000 8.469) 8.469 28.361 ( 0.000 0.000 -5.739) 5.739 28.660 ( 0.000 0.000 2.871) 2.871 28.806 ( 0.000 0.000 -1.592) 1.592 29.130 ( 0.000 0.000 3.993) 3.993 29.428 ( 0.000 0.000 -8.750) 8.750 29.688 ( 0.000 0.000 2.978) 2.978 29.771 ( 0.000 0.000 -1.242) 1.242 29.828 ( 0.000 0.000 3.240) 3.240 29.935 ( 0.000 0.000 -1.696) 1.696 31.292 ( 0.000 0.000 5.103) 5.103 31.587 ( 0.000 0.000 -7.719) 7.719 32.321 ( 0.000 0.000 7.381) 7.381 32.590 ( 0.000 0.000 -4.383) 4.383 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 18.605 0.000 22.120) 28.904 0.962 ( 19.617 0.000 22.459) 29.820 1.521 ( 33.919 0.000 33.775) 47.867 1.690 ( 6.153 0.000 -13.221) 14.583 1.861 ( 2.769 0.000 -19.837) 20.029 2.202 ( -1.608 0.000 7.846) 8.009 2.473 ( 6.838 0.000 1.312) 6.962 2.572 ( 2.656 0.000 -6.681) 7.189 2.660 ( 3.434 0.000 -9.077) 9.705 2.802 ( -2.337 0.000 5.557) 6.028 2.930 ( 7.913 0.000 4.369) 9.039 2.997 ( -0.143 0.000 -13.143) 13.144 3.104 ( 3.380 0.000 -20.305) 20.585 3.115 ( -0.102 0.000 6.951) 6.952 3.200 ( 1.409 0.000 -5.966) 6.131 3.306 ( -3.258 0.000 8.250) 8.870 3.396 ( 2.046 0.000 4.364) 4.820 3.445 ( -4.334 0.000 5.859) 7.288 3.528 ( 1.344 0.000 -1.363) 1.915 3.696 ( 0.905 0.000 -5.334) 5.410 3.803 ( 3.347 0.000 -2.833) 4.386 3.844 ( -3.337 0.000 -2.724) 4.308 4.033 ( 10.275 0.000 6.284) 12.045 4.099 ( 10.649 0.000 6.205) 12.324 4.182 ( -1.662 0.000 8.876) 9.031 4.264 ( 5.370 0.000 -2.128) 5.776 4.345 ( -0.451 0.000 -2.280) 2.325 4.443 ( 0.175 0.000 -3.978) 3.982 4.511 ( 3.826 0.000 -6.508) 7.550 4.564 ( -0.288 0.000 -3.559) 3.571 4.705 ( 7.612 0.000 -2.968) 8.170 4.941 ( 11.362 0.000 -2.488) 11.631 4.985 ( 15.635 0.000 -10.472) 18.818 5.087 ( 10.463 0.000 9.459) 14.105 5.167 ( 11.013 0.000 -3.411) 11.529 5.334 ( 5.503 0.000 -2.745) 6.149 5.595 ( -0.989 0.000 0.951) 1.372 5.671 ( -0.984 0.000 -0.281) 1.023 5.963 ( 5.933 0.000 5.657) 8.198 6.145 ( -3.850 0.000 -0.771) 3.926 6.154 ( 7.524 0.000 1.237) 7.625 6.242 ( 9.020 0.000 -1.633) 9.166 6.432 ( 6.978 0.000 0.938) 7.041 6.467 ( 5.690 0.000 -0.336) 5.699 6.575 ( -1.316 0.000 0.753) 1.516 6.633 ( 0.734 0.000 2.394) 2.504 6.714 ( 3.068 0.000 3.447) 4.615 6.866 ( 10.442 0.000 -2.236) 10.678 7.061 ( 1.523 0.000 6.812) 6.980 7.190 ( 7.442 0.000 -3.137) 8.076 7.476 ( 18.346 0.000 5.496) 19.152 7.537 ( 8.185 0.000 -0.373) 8.193 7.752 ( 10.287 0.000 0.146) 10.289 7.878 ( -0.851 0.000 -2.347) 2.496 8.002 ( 3.545 0.000 -5.487) 6.532 8.205 ( -7.446 0.000 5.860) 9.476 8.409 ( -5.290 0.000 -1.592) 5.525 8.581 ( 3.492 0.000 -19.982) 20.285 8.724 ( 2.795 0.000 4.052) 4.923 8.828 ( 2.300 0.000 1.697) 2.858 8.925 ( -1.763 0.000 1.675) 2.432 9.028 ( -4.226 0.000 -7.805) 8.876 9.254 ( -3.232 0.000 2.347) 3.995 9.384 ( -1.251 0.000 -0.872) 1.525 9.645 ( -5.151 0.000 4.744) 7.003 9.859 ( 3.406 0.000 -2.391) 4.161 9.902 ( 1.280 0.000 3.415) 3.647 10.013 ( 3.500 0.000 -1.194) 3.699 10.035 ( -5.626 0.000 5.602) 7.940 10.182 ( -2.330 0.000 2.572) 3.470 10.291 ( -1.559 0.000 6.073) 6.270 10.607 ( -9.263 0.000 -6.803) 11.493 11.493 ( 2.400 0.000 3.094) 3.916 11.778 ( 10.206 0.000 -6.936) 12.339 12.155 ( 0.667 0.000 3.099) 3.170 12.283 ( 3.211 0.000 -2.206) 3.896 12.852 ( -4.126 0.000 1.416) 4.363 12.905 ( 0.734 0.000 -1.161) 1.373 13.039 ( -9.027 0.000 6.108) 10.899 13.111 ( -11.330 0.000 1.314) 11.406 13.348 ( -3.804 0.000 2.857) 4.757 13.468 ( -0.016 0.000 -0.907) 0.907 13.552 ( -1.378 0.000 0.458) 1.452 13.604 ( 2.815 0.000 0.050) 2.815 14.122 ( 3.168 0.000 1.542) 3.523 14.191 ( -2.120 0.000 -1.763) 2.757 14.244 ( 4.744 0.000 -2.248) 5.250 14.349 ( 2.008 0.000 -1.190) 2.334 14.555 ( 0.209 0.000 3.047) 3.054 14.605 ( 2.684 0.000 -2.084) 3.398 14.894 ( 4.470 0.000 1.659) 4.768 15.074 ( -1.929 0.000 -5.873) 6.182 15.355 ( -9.701 0.000 12.440) 15.775 15.600 ( -2.654 0.000 -1.518) 3.058 15.824 ( -0.358 0.000 5.992) 6.002 16.023 ( -6.124 0.000 1.490) 6.303 16.163 ( -0.847 0.000 -6.635) 6.688 16.225 ( -4.850 0.000 -4.092) 6.346 16.849 ( -4.130 0.000 0.150) 4.133 16.879 ( -4.630 0.000 -0.223) 4.635 21.520 ( -1.528 0.000 1.953) 2.479 21.603 ( -2.510 0.000 -0.188) 2.517 21.711 ( -2.841 0.000 1.559) 3.241 21.801 ( -1.487 0.000 -2.156) 2.619 25.001 ( 2.060 0.000 -2.018) 2.883 25.041 ( 2.804 0.000 -2.855) 4.001 25.115 ( 2.330 0.000 2.227) 3.222 25.171 ( 1.748 0.000 -0.144) 1.754 25.528 ( 8.157 0.000 0.456) 8.170 25.619 ( 8.205 0.000 -2.118) 8.474 25.706 ( 6.749 0.000 -0.482) 6.766 25.759 ( 4.461 0.000 -0.636) 4.507 26.797 ( 1.175 0.000 -0.480) 1.269 26.842 ( 3.320 0.000 -3.899) 5.121 26.946 ( 5.531 0.000 0.024) 5.531 26.962 ( 6.901 0.000 -1.346) 7.031 27.703 ( -1.567 0.000 1.822) 2.403 27.720 ( 5.354 0.000 0.068) 5.355 28.196 ( 9.241 0.000 -10.581) 14.049 28.276 ( -7.722 0.000 -4.760) 9.071 28.681 ( 2.284 0.000 1.801) 2.909 28.803 ( -0.253 0.000 -1.651) 1.670 29.135 ( 0.561 0.000 2.320) 2.386 29.406 ( -1.989 0.000 -8.601) 8.827 29.591 ( -6.311 0.000 7.635) 9.906 29.700 ( -3.662 0.000 1.732) 4.050 29.853 ( 2.907 0.000 3.799) 4.784 30.039 ( 4.679 0.000 -7.202) 8.588 31.280 ( -1.069 0.000 4.657) 4.779 31.549 ( -3.476 0.000 -6.863) 7.693 32.025 ( -28.782 0.000 24.237) 37.627 32.191 ( -11.560 0.000 4.364) 12.356 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 19.677 0.000 13.394) 23.803 1.398 ( 22.191 0.000 10.178) 24.414 1.750 ( -0.645 0.000 -0.718) 0.965 1.871 ( 5.353 0.000 -6.869) 8.708 2.161 ( 6.776 0.000 6.814) 9.610 2.280 ( 15.691 0.000 6.860) 17.125 2.480 ( -3.032 0.000 2.638) 4.019 2.553 ( -1.327 0.000 -4.158) 4.365 2.698 ( -3.244 0.000 -11.007) 11.475 2.786 ( -0.363 0.000 1.634) 1.674 2.927 ( -3.452 0.000 -4.776) 5.893 3.019 ( -8.992 0.000 9.838) 13.328 3.052 ( -1.004 0.000 -7.438) 7.506 3.166 ( 0.080 0.000 -1.900) 1.902 3.240 ( -3.648 0.000 -5.367) 6.490 3.272 ( 2.294 0.000 3.730) 4.379 3.393 ( 2.677 0.000 -2.552) 3.699 3.481 ( 6.424 0.000 -0.075) 6.424 3.559 ( 3.040 0.000 -6.707) 7.364 3.697 ( -3.966 0.000 -2.644) 4.767 3.760 ( -0.480 0.000 2.352) 2.400 3.872 ( 1.627 0.000 -0.278) 1.651 4.097 ( -1.834 0.000 5.123) 5.442 4.173 ( 0.216 0.000 4.847) 4.851 4.323 ( 5.426 0.000 3.548) 6.483 4.328 ( 4.692 0.000 -0.381) 4.707 4.424 ( 5.404 0.000 -2.312) 5.878 4.498 ( 2.824 0.000 -1.905) 3.407 4.559 ( 4.984 0.000 1.013) 5.086 4.714 ( 9.956 0.000 -7.080) 12.217 4.863 ( 7.017 0.000 -0.875) 7.071 5.109 ( 4.261 0.000 -4.156) 5.952 5.197 ( 8.292 0.000 -0.490) 8.306 5.369 ( 13.214 0.000 0.827) 13.240 5.431 ( 13.678 0.000 -4.344) 14.351 5.517 ( 8.808 0.000 -2.940) 9.286 5.682 ( 6.745 0.000 2.056) 7.051 5.733 ( 10.176 0.000 4.749) 11.229 5.986 ( -1.819 0.000 4.860) 5.189 6.066 ( -2.580 0.000 5.582) 6.150 6.317 ( 3.620 0.000 1.559) 3.941 6.436 ( 5.388 0.000 -0.701) 5.434 6.500 ( 1.694 0.000 0.334) 1.727 6.560 ( 1.593 0.000 0.840) 1.801 6.713 ( 19.314 0.000 -0.381) 19.318 6.749 ( 16.734 0.000 0.144) 16.735 7.055 ( 23.077 0.000 5.083) 23.630 7.173 ( 14.284 0.000 1.589) 14.372 7.206 ( 14.284 0.000 0.342) 14.288 7.415 ( 13.679 0.000 -7.254) 15.484 7.669 ( 6.671 0.000 4.963) 8.315 7.775 ( 10.475 0.000 5.039) 11.624 7.895 ( 2.175 0.000 -0.641) 2.268 7.977 ( 5.322 0.000 -2.001) 5.686 8.115 ( -0.276 0.000 5.382) 5.389 8.166 ( 14.542 0.000 -7.569) 16.393 8.307 ( -3.105 0.000 -0.537) 3.151 8.634 ( 2.131 0.000 -16.165) 16.305 8.752 ( -0.831 0.000 -1.262) 1.511 8.807 ( -4.365 0.000 -3.773) 5.770 8.906 ( -0.070 0.000 2.340) 2.341 8.987 ( 1.069 0.000 -0.784) 1.326 9.215 ( -0.245 0.000 1.581) 1.600 9.349 ( -1.786 0.000 -1.520) 2.345 9.510 ( -6.890 0.000 6.761) 9.653 9.796 ( -8.388 0.000 13.766) 16.120 9.881 ( -3.875 0.000 -8.734) 9.555 10.001 ( 2.322 0.000 -0.628) 2.405 10.084 ( 2.750 0.000 -0.376) 2.776 10.126 ( -3.411 0.000 0.265) 3.421 10.311 ( 2.342 0.000 3.507) 4.217 10.399 ( -8.637 0.000 -2.741) 9.062 11.531 ( 1.602 0.000 5.522) 5.750 11.927 ( 2.276 0.000 -10.834) 11.070 12.219 ( 5.679 0.000 4.504) 7.248 12.336 ( 1.740 0.000 0.237) 1.756 12.732 ( -5.721 0.000 0.101) 5.722 12.789 ( -11.364 0.000 -2.245) 11.583 12.988 ( 0.548 0.000 2.020) 2.093 13.066 ( 6.308 0.000 -0.447) 6.324 13.279 ( -3.187 0.000 4.211) 5.281 13.459 ( -0.715 0.000 -4.168) 4.229 13.526 ( 0.034 0.000 1.953) 1.953 13.659 ( 2.161 0.000 0.291) 2.181 14.094 ( -3.801 0.000 -1.477) 4.078 14.136 ( -2.863 0.000 -3.709) 4.685 14.266 ( -3.868 0.000 4.007) 5.569 14.424 ( 2.401 0.000 -2.498) 3.465 14.553 ( 3.712 0.000 4.406) 5.761 14.708 ( 5.841 0.000 -2.333) 6.289 14.983 ( 3.744 0.000 1.861) 4.181 15.069 ( 2.100 0.000 -2.938) 3.611 15.247 ( -2.109 0.000 7.983) 8.257 15.535 ( -3.206 0.000 -3.916) 5.061 15.783 ( -4.460 0.000 4.505) 6.339 15.866 ( -8.516 0.000 1.227) 8.604 16.120 ( -3.560 0.000 -3.235) 4.810 16.139 ( -1.575 0.000 -4.521) 4.787 16.709 ( -8.526 0.000 0.965) 8.581 16.737 ( -8.598 0.000 0.201) 8.600 21.484 ( -1.652 0.000 1.775) 2.425 21.564 ( -1.598 0.000 -1.493) 2.187 21.641 ( -3.341 0.000 2.453) 4.145 21.759 ( -2.611 0.000 -2.573) 3.666 24.980 ( -2.419 0.000 0.646) 2.504 25.046 ( -0.485 0.000 -1.856) 1.918 25.167 ( -0.104 0.000 0.410) 0.423 25.176 ( -0.701 0.000 0.291) 0.759 25.758 ( 13.161 0.000 2.127) 13.332 25.800 ( 9.995 0.000 2.220) 10.238 25.896 ( 8.720 0.000 -0.439) 8.731 25.927 ( 11.688 0.000 -3.177) 12.112 26.829 ( 1.569 0.000 0.001) 1.569 26.897 ( 2.893 0.000 -2.628) 3.908 27.069 ( 5.062 0.000 0.723) 5.114 27.111 ( 6.932 0.000 -1.608) 7.116 27.598 ( -6.518 0.000 5.345) 8.429 27.835 ( 1.968 0.000 -4.580) 4.985 28.091 ( -6.748 0.000 2.106) 7.069 28.299 ( 1.117 0.000 -8.238) 8.314 28.745 ( 3.081 0.000 -1.603) 3.473 28.799 ( -0.043 0.000 -1.922) 1.922 29.153 ( 1.192 0.000 0.118) 1.197 29.362 ( -1.812 0.000 -6.996) 7.227 29.489 ( -3.837 0.000 8.075) 8.941 29.625 ( -3.811 0.000 0.857) 3.907 29.931 ( 4.490 0.000 3.073) 5.441 30.110 ( 2.680 0.000 -5.871) 6.453 31.255 ( -1.164 0.000 3.493) 3.682 31.458 ( -4.845 0.000 -4.975) 6.945 31.621 ( -12.631 0.000 15.545) 20.030 31.908 ( -14.354 0.000 0.131) 14.355 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 9.106 0.000 8.188) 12.245 1.739 ( 8.923 0.000 7.277) 11.514 1.882 ( 17.490 0.000 1.346) 17.542 2.010 ( 6.110 0.000 -6.372) 8.828 2.156 ( -1.103 0.000 3.641) 3.804 2.333 ( -2.612 0.000 -1.910) 3.236 2.460 ( -5.075 0.000 -6.008) 7.865 2.521 ( -6.152 0.000 -0.527) 6.175 2.580 ( -7.339 0.000 1.539) 7.499 2.779 ( -0.377 0.000 -1.341) 1.393 2.818 ( -3.990 0.000 0.491) 4.020 2.914 ( -2.083 0.000 2.406) 3.182 3.008 ( -1.646 0.000 -2.679) 3.145 3.046 ( -8.089 0.000 -5.496) 9.779 3.144 ( -5.098 0.000 -3.093) 5.963 3.299 ( -6.132 0.000 -1.318) 6.272 3.387 ( 2.606 0.000 0.483) 2.650 3.565 ( -1.202 0.000 1.276) 1.753 3.634 ( 2.323 0.000 2.100) 3.131 3.715 ( 9.218 0.000 -10.012) 13.609 3.809 ( 3.847 0.000 1.501) 4.129 3.864 ( -1.695 0.000 2.257) 2.823 4.106 ( 2.980 0.000 5.138) 5.940 4.144 ( -1.481 0.000 6.321) 6.492 4.289 ( -4.202 0.000 -0.916) 4.301 4.420 ( -0.025 0.000 2.295) 2.296 4.507 ( 3.250 0.000 -2.034) 3.834 4.558 ( 3.554 0.000 -2.409) 4.293 4.740 ( 7.770 0.000 -0.209) 7.773 4.853 ( 4.429 0.000 -3.658) 5.745 4.983 ( 3.733 0.000 1.074) 3.885 5.127 ( -1.693 0.000 -3.649) 4.023 5.375 ( 6.022 0.000 6.253) 8.682 5.480 ( -3.017 0.000 4.568) 5.475 5.636 ( 4.468 0.000 -1.877) 4.846 5.699 ( 9.001 0.000 -6.302) 10.988 5.834 ( 7.773 0.000 7.113) 10.536 5.924 ( -3.781 0.000 3.401) 5.085 6.034 ( 16.044 0.000 0.808) 16.064 6.102 ( 6.991 0.000 2.560) 7.445 6.414 ( 8.798 0.000 1.098) 8.866 6.507 ( 2.034 0.000 -1.005) 2.269 6.551 ( 5.792 0.000 0.429) 5.808 6.663 ( 5.315 0.000 -4.636) 7.053 7.142 ( 16.399 0.000 3.018) 16.675 7.176 ( 19.193 0.000 -2.785) 19.394 7.373 ( 9.413 0.000 6.722) 11.567 7.519 ( 14.665 0.000 1.392) 14.731 7.535 ( 14.212 0.000 1.012) 14.248 7.695 ( 11.409 0.000 -5.190) 12.534 7.843 ( 8.666 0.000 1.470) 8.790 7.918 ( 0.439 0.000 0.363) 0.570 7.978 ( 9.152 0.000 -1.786) 9.324 8.067 ( 6.425 0.000 -4.260) 7.709 8.187 ( 8.940 0.000 3.506) 9.603 8.329 ( 4.907 0.000 1.338) 5.086 8.477 ( 11.457 0.000 -3.687) 12.036 8.640 ( -3.940 0.000 -2.517) 4.675 8.676 ( -2.871 0.000 -6.996) 7.562 8.755 ( -0.199 0.000 -3.919) 3.924 8.916 ( 0.802 0.000 1.536) 1.733 9.011 ( 0.292 0.000 0.950) 0.994 9.248 ( 2.982 0.000 1.248) 3.232 9.316 ( -1.279 0.000 -1.249) 1.787 9.399 ( -3.294 0.000 5.836) 6.702 9.632 ( -6.230 0.000 10.596) 12.292 9.748 ( -7.409 0.000 -9.061) 11.705 9.957 ( -9.270 0.000 -3.114) 9.779 10.085 ( 3.008 0.000 -2.509) 3.917 10.142 ( 1.639 0.000 -2.241) 2.776 10.298 ( -0.495 0.000 3.914) 3.945 10.362 ( 1.201 0.000 2.410) 2.693 11.574 ( 2.775 0.000 6.280) 6.866 11.892 ( -4.557 0.000 -5.303) 6.992 12.312 ( 1.630 0.000 -0.189) 1.640 12.374 ( 2.334 0.000 -1.104) 2.582 12.570 ( -8.504 0.000 -0.577) 8.523 12.626 ( -4.532 0.000 -2.780) 5.317 13.017 ( 2.215 0.000 5.708) 6.123 13.189 ( 0.108 0.000 1.762) 1.766 13.240 ( 3.560 0.000 1.871) 4.021 13.451 ( -0.531 0.000 -4.905) 4.933 13.552 ( 2.451 0.000 0.736) 2.559 13.693 ( 1.106 0.000 0.278) 1.140 14.015 ( -3.166 0.000 -2.264) 3.892 14.088 ( -1.476 0.000 -3.910) 4.179 14.165 ( -4.873 0.000 3.030) 5.739 14.343 ( -6.963 0.000 -3.731) 7.900 14.727 ( 9.614 0.000 3.064) 10.090 14.843 ( 6.698 0.000 1.955) 6.977 15.066 ( 4.459 0.000 1.305) 4.646 15.139 ( 3.924 0.000 -1.183) 4.099 15.228 ( -0.245 0.000 4.408) 4.415 15.478 ( -2.102 0.000 -4.610) 5.066 15.634 ( -8.957 0.000 2.912) 9.418 15.691 ( -8.118 0.000 0.445) 8.130 16.087 ( 0.133 0.000 -1.192) 1.199 16.116 ( -0.587 0.000 -2.524) 2.591 16.523 ( -8.689 0.000 1.173) 8.768 16.545 ( -9.115 0.000 0.235) 9.118 21.459 ( -0.679 0.000 1.453) 1.604 21.527 ( -2.092 0.000 -1.062) 2.346 21.591 ( -1.130 0.000 1.643) 1.994 21.697 ( -3.171 0.000 -2.372) 3.960 24.946 ( -0.564 0.000 1.498) 1.601 25.029 ( -1.078 0.000 -1.962) 2.239 25.126 ( -2.508 0.000 0.582) 2.574 25.148 ( -2.072 0.000 -0.217) 2.084 26.013 ( 10.277 0.000 2.095) 10.488 26.021 ( 10.200 0.000 1.690) 10.339 26.082 ( 8.509 0.000 0.141) 8.510 26.150 ( 9.022 0.000 -2.512) 9.365 26.858 ( 1.405 0.000 0.968) 1.706 26.978 ( 4.848 0.000 -3.609) 6.044 27.106 ( -2.183 0.000 2.728) 3.494 27.235 ( 4.394 0.000 -3.051) 5.350 27.492 ( -2.774 0.000 4.130) 4.975 27.699 ( -10.853 0.000 -4.774) 11.856 28.105 ( 4.518 0.000 4.971) 6.718 28.288 ( -1.471 0.000 -2.509) 2.909 28.787 ( 0.974 0.000 -2.143) 2.354 28.807 ( 0.716 0.000 -3.153) 3.233 29.186 ( 2.018 0.000 -0.187) 2.026 29.335 ( -0.974 0.000 -5.316) 5.405 29.421 ( -2.506 0.000 6.990) 7.426 29.541 ( -4.127 0.000 0.541) 4.163 30.035 ( 5.236 0.000 1.953) 5.589 30.159 ( 1.919 0.000 -3.597) 4.077 31.242 ( 0.191 0.000 1.873) 1.883 31.364 ( -3.805 0.000 -3.234) 4.994 31.430 ( -6.390 0.000 7.789) 10.074 31.632 ( -11.760 0.000 -1.069) 11.808 ======================= Grid point 67 (25/60) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.590 0.000 8.481) 11.381 1.925 ( -5.453 0.000 2.760) 6.112 2.002 ( 5.854 0.000 4.363) 7.301 2.092 ( 3.151 0.000 1.211) 3.375 2.231 ( 0.315 0.000 -10.406) 10.410 2.277 ( -3.655 0.000 -2.380) 4.361 2.380 ( -1.681 0.000 -2.819) 3.282 2.413 ( -0.816 0.000 -2.996) 3.105 2.542 ( 8.155 0.000 5.140) 9.639 2.716 ( -5.246 0.000 2.056) 5.634 2.773 ( -0.603 0.000 0.757) 0.968 2.847 ( -6.510 0.000 0.785) 6.557 2.918 ( -0.022 0.000 -5.220) 5.220 2.967 ( -3.188 0.000 -4.019) 5.130 3.056 ( -1.905 0.000 -6.454) 6.729 3.123 ( -7.762 0.000 -5.104) 9.290 3.458 ( 3.437 0.000 1.492) 3.747 3.521 ( -2.523 0.000 0.150) 2.528 3.735 ( 5.044 0.000 4.672) 6.875 3.809 ( -2.377 0.000 4.486) 5.077 3.864 ( 4.282 0.000 -5.909) 7.298 3.889 ( 2.021 0.000 -2.405) 3.142 4.131 ( 1.065 0.000 3.235) 3.406 4.190 ( -4.354 0.000 0.068) 4.355 4.218 ( 6.571 0.000 7.731) 10.147 4.355 ( -5.660 0.000 6.198) 8.393 4.577 ( 3.249 0.000 -4.827) 5.819 4.607 ( 0.780 0.000 -3.828) 3.906 4.842 ( 2.466 0.000 -3.125) 3.981 4.883 ( -1.395 0.000 -3.205) 3.496 5.039 ( 2.303 0.000 5.162) 5.653 5.081 ( -1.895 0.000 1.229) 2.259 5.395 ( -2.178 0.000 8.783) 9.049 5.405 ( -1.967 0.000 9.068) 9.279 5.723 ( 4.401 0.000 -2.241) 4.939 5.806 ( -1.876 0.000 -1.893) 2.665 5.843 ( 2.460 0.000 -1.317) 2.791 5.909 ( -1.689 0.000 -2.069) 2.671 6.268 ( 5.955 0.000 5.909) 8.389 6.293 ( 5.069 0.000 2.624) 5.707 6.613 ( 7.413 0.000 -0.738) 7.449 6.623 ( 6.722 0.000 -1.871) 6.977 6.676 ( 5.449 0.000 -2.520) 6.004 6.726 ( 0.606 0.000 -5.448) 5.482 7.376 ( 7.279 0.000 3.055) 7.894 7.399 ( 4.683 0.000 0.123) 4.684 7.487 ( 0.360 0.000 2.525) 2.551 7.555 ( -6.567 0.000 1.214) 6.679 7.786 ( 8.721 0.000 -0.115) 8.722 7.856 ( 2.012 0.000 -0.726) 2.139 8.000 ( 9.416 0.000 -3.646) 10.097 8.030 ( 7.252 0.000 -1.954) 7.511 8.158 ( 0.334 0.000 1.557) 1.592 8.172 ( 3.006 0.000 -0.244) 3.016 8.387 ( 6.679 0.000 0.837) 6.731 8.421 ( 3.446 0.000 -0.631) 3.503 8.540 ( 1.392 0.000 -3.666) 3.921 8.596 ( -2.118 0.000 -4.807) 5.253 8.709 ( 3.495 0.000 -1.342) 3.744 8.745 ( -1.274 0.000 2.217) 2.557 8.940 ( 1.601 0.000 0.522) 1.684 8.984 ( -2.525 0.000 0.999) 2.716 9.297 ( 0.214 0.000 0.209) 0.300 9.305 ( 0.063 0.000 0.749) 0.752 9.386 ( 3.862 0.000 2.305) 4.497 9.516 ( -6.632 0.000 0.183) 6.634 9.666 ( 1.281 0.000 -1.805) 2.214 9.766 ( -7.667 0.000 -2.423) 8.041 10.141 ( 1.886 0.000 -3.553) 4.023 10.160 ( 0.059 0.000 -3.283) 3.283 10.322 ( 2.087 0.000 4.068) 4.572 10.362 ( -1.252 0.000 2.852) 3.115 11.653 ( 4.862 0.000 4.623) 6.709 11.772 ( -6.303 0.000 0.489) 6.322 12.322 ( 0.680 0.000 0.865) 1.100 12.367 ( -3.216 0.000 1.368) 3.495 12.494 ( 1.382 0.000 -6.017) 6.174 12.548 ( -3.122 0.000 -5.492) 6.317 13.073 ( 2.981 0.000 8.121) 8.651 13.136 ( -3.026 0.000 7.352) 7.950 13.342 ( 4.280 0.000 -2.416) 4.915 13.416 ( -2.796 0.000 -3.433) 4.428 13.622 ( 3.924 0.000 -1.577) 4.229 13.691 ( -1.906 0.000 -1.582) 2.477 13.989 ( 1.150 0.000 0.053) 1.151 14.047 ( -3.478 0.000 2.083) 4.054 14.118 ( 1.666 0.000 -4.638) 4.928 14.201 ( -5.862 0.000 -4.457) 7.364 14.898 ( 6.139 0.000 3.920) 7.284 14.947 ( 1.991 0.000 4.990) 5.372 15.145 ( 3.000 0.000 -3.127) 4.334 15.198 ( -1.156 0.000 -2.775) 3.006 15.262 ( 6.469 0.000 5.426) 8.444 15.430 ( -7.725 0.000 2.107) 8.008 15.474 ( -0.272 0.000 -2.167) 2.184 15.543 ( -5.644 0.000 -1.171) 5.764 16.104 ( 1.014 0.000 -0.543) 1.150 16.113 ( 0.080 0.000 -0.973) 0.976 16.383 ( -3.876 0.000 0.713) 3.941 16.392 ( -4.705 0.000 0.306) 4.715 21.458 ( 0.609 0.000 1.166) 1.315 21.483 ( -1.804 0.000 0.593) 1.899 21.593 ( 1.199 0.000 -0.556) 1.322 21.635 ( -2.647 0.000 -1.738) 3.166 24.957 ( 1.510 0.000 0.942) 1.779 24.998 ( -2.005 0.000 -0.610) 2.096 25.091 ( -0.461 0.000 0.122) 0.476 25.106 ( -1.656 0.000 -0.312) 1.685 26.163 ( 3.900 0.000 1.435) 4.156 26.170 ( 3.355 0.000 0.975) 3.493 26.236 ( 5.684 0.000 -0.056) 5.684 26.275 ( 2.349 0.000 -1.587) 2.835 26.900 ( 3.075 0.000 2.540) 3.988 26.995 ( -5.508 0.000 3.113) 6.327 27.114 ( 6.757 0.000 -5.536) 8.735 27.249 ( -4.121 0.000 -7.742) 8.770 27.475 ( 0.719 0.000 4.101) 4.163 27.523 ( -4.662 0.000 2.492) 5.287 28.191 ( 3.416 0.000 2.231) 4.080 28.249 ( -2.291 0.000 0.246) 2.304 28.803 ( 0.699 0.000 -2.780) 2.867 28.813 ( -0.198 0.000 -3.340) 3.346 29.238 ( 2.877 0.000 0.233) 2.886 29.299 ( -2.711 0.000 -0.998) 2.889 29.407 ( 1.313 0.000 2.776) 3.071 29.460 ( -3.471 0.000 0.915) 3.589 30.132 ( 3.707 0.000 0.521) 3.744 30.177 ( -0.537 0.000 -1.382) 1.483 31.266 ( 1.865 0.000 0.021) 1.866 31.305 ( -2.093 0.000 -1.237) 2.432 31.354 ( -0.306 0.000 3.233) 3.247 31.432 ( -7.194 0.000 0.027) 7.194 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 12.106 25.491) 28.220 0.815 ( 0.000 15.974 20.050) 25.635 1.494 ( 0.000 28.417 36.958) 46.620 1.609 ( 0.000 -0.378 -13.135) 13.140 1.844 ( 0.000 4.402 -20.987) 21.444 2.185 ( 0.000 -11.709 -0.977) 11.750 2.358 ( 0.000 -4.281 -3.015) 5.236 2.430 ( 0.000 0.641 -0.886) 1.094 2.551 ( 0.000 -4.092 1.008) 4.215 2.605 ( 0.000 -9.270 2.866) 9.703 2.779 ( 0.000 -11.865 -4.099) 12.553 2.973 ( 0.000 -8.851 11.093) 14.192 3.074 ( 0.000 -0.324 -2.315) 2.338 3.084 ( 0.000 -3.738 -0.600) 3.786 3.238 ( 0.000 7.774 -13.932) 15.955 3.335 ( 0.000 3.664 -2.208) 4.278 3.393 ( 0.000 -5.843 2.276) 6.270 3.422 ( 0.000 4.779 5.989) 7.662 3.574 ( 0.000 -9.637 5.287) 10.992 3.640 ( 0.000 5.268 1.428) 5.458 3.789 ( 0.000 2.292 -13.032) 13.232 3.876 ( 0.000 8.036 -5.365) 9.662 4.056 ( 0.000 8.226 -2.469) 8.588 4.126 ( 0.000 7.998 -1.992) 8.242 4.181 ( 0.000 -2.111 5.301) 5.705 4.183 ( 0.000 5.971 3.020) 6.692 4.390 ( 0.000 -1.167 -2.762) 2.998 4.455 ( 0.000 -2.559 -2.167) 3.353 4.515 ( 0.000 -0.284 -3.303) 3.316 4.555 ( 0.000 1.175 -1.205) 1.683 4.634 ( 0.000 -0.253 -0.390) 0.465 4.713 ( 0.000 -0.449 7.023) 7.037 4.796 ( 0.000 6.010 -11.062) 12.589 5.021 ( 0.000 3.507 8.396) 9.099 5.048 ( 0.000 2.047 -0.043) 2.047 5.223 ( 0.000 -6.368 0.676) 6.404 5.560 ( 0.000 -6.710 -3.122) 7.401 5.664 ( 0.000 -1.626 -2.578) 3.048 5.913 ( 0.000 3.201 7.307) 7.977 6.094 ( 0.000 0.174 -2.704) 2.710 6.129 ( 0.000 2.295 -0.951) 2.484 6.224 ( 0.000 2.801 1.311) 3.093 6.349 ( 0.000 -0.344 3.753) 3.769 6.457 ( 0.000 -7.656 3.816) 8.554 6.546 ( 0.000 2.214 5.152) 5.608 6.586 ( 0.000 -0.944 -2.613) 2.778 6.700 ( 0.000 0.770 -4.242) 4.311 6.781 ( 0.000 -1.667 3.070) 3.493 6.865 ( 0.000 0.881 -1.628) 1.851 7.017 ( 0.000 -7.559 -0.967) 7.621 7.209 ( 0.000 -6.243 2.831) 6.855 7.236 ( 0.000 -1.291 2.955) 3.225 7.648 ( 0.000 2.833 9.024) 9.459 7.959 ( 0.000 5.750 6.278) 8.514 8.118 ( 0.000 9.202 -7.095) 11.619 8.360 ( 0.000 0.298 -12.909) 12.913 8.510 ( 0.000 1.127 4.602) 4.738 8.663 ( 0.000 4.702 6.967) 8.405 8.714 ( 0.000 4.542 3.263) 5.592 8.817 ( 0.000 6.308 -5.386) 8.294 8.964 ( 0.000 -1.740 -1.561) 2.338 9.199 ( 0.000 -6.001 7.366) 9.501 9.250 ( 0.000 1.853 -17.906) 18.001 9.347 ( 0.000 5.863 -1.839) 6.145 9.683 ( 0.000 -4.458 6.759) 8.097 9.800 ( 0.000 -6.867 -0.180) 6.869 9.882 ( 0.000 0.885 -3.347) 3.463 9.957 ( 0.000 -0.441 -3.269) 3.299 10.094 ( 0.000 -3.775 6.184) 7.245 10.195 ( 0.000 -2.303 0.834) 2.449 10.339 ( 0.000 1.616 7.010) 7.194 10.716 ( 0.000 -1.393 -4.773) 4.972 11.525 ( 0.000 6.024 3.145) 6.796 11.667 ( 0.000 2.968 -2.627) 3.964 12.152 ( 0.000 -1.297 -1.195) 1.763 12.209 ( 0.000 -3.056 -2.792) 4.140 12.790 ( 0.000 -4.232 0.772) 4.302 12.888 ( 0.000 -1.297 -2.853) 3.134 13.211 ( 0.000 -3.175 1.302) 3.431 13.275 ( 0.000 -3.105 1.693) 3.536 13.386 ( 0.000 -6.117 0.106) 6.118 13.420 ( 0.000 -0.460 -0.869) 0.983 13.548 ( 0.000 2.131 2.776) 3.500 13.625 ( 0.000 -2.517 -3.844) 4.595 14.050 ( 0.000 -1.078 3.647) 3.803 14.104 ( 0.000 2.628 1.645) 3.100 14.299 ( 0.000 6.647 -4.853) 8.230 14.336 ( 0.000 2.651 -5.011) 5.669 14.564 ( 0.000 3.982 3.050) 5.016 14.620 ( 0.000 0.548 0.309) 0.629 14.801 ( 0.000 -1.894 3.894) 4.330 15.049 ( 0.000 -4.855 -6.430) 8.057 15.267 ( 0.000 -8.983 11.270) 14.412 15.577 ( 0.000 -9.595 -3.872) 10.347 15.983 ( 0.000 -9.803 3.319) 10.350 16.095 ( 0.000 12.374 -2.506) 12.625 16.200 ( 0.000 -4.349 -3.233) 5.419 16.343 ( 0.000 10.611 -9.025) 13.929 16.801 ( 0.000 -5.343 3.891) 6.610 16.891 ( 0.000 -3.415 -0.627) 3.473 21.589 ( 0.000 3.734 1.442) 4.002 21.659 ( 0.000 0.444 0.794) 0.910 21.794 ( 0.000 5.886 0.801) 5.940 21.863 ( 0.000 3.578 -1.195) 3.772 24.915 ( 0.000 0.779 0.796) 1.114 24.960 ( 0.000 0.201 -1.052) 1.071 25.080 ( 0.000 -0.333 1.459) 1.497 25.137 ( 0.000 -0.283 -1.481) 1.507 25.465 ( 0.000 2.445 1.128) 2.692 25.556 ( 0.000 1.917 -3.572) 4.054 25.655 ( 0.000 0.319 1.464) 1.498 25.709 ( 0.000 -0.741 -0.439) 0.861 26.750 ( 0.000 0.509 0.932) 1.063 26.806 ( 0.000 1.419 -1.347) 1.956 26.875 ( 0.000 -1.010 0.063) 1.012 26.890 ( 0.000 0.961 -1.465) 1.752 27.410 ( 0.000 -9.271 17.300) 19.627 27.653 ( 0.000 -4.350 0.093) 4.351 28.076 ( 0.000 2.876 3.764) 4.738 28.337 ( 0.000 -2.964 -6.288) 6.952 28.699 ( 0.000 3.902 3.470) 5.221 28.913 ( 0.000 2.998 -8.703) 9.205 29.107 ( 0.000 -1.711 3.861) 4.223 29.387 ( 0.000 -5.133 -4.595) 6.889 29.579 ( 0.000 -0.191 6.433) 6.436 29.706 ( 0.000 -0.635 3.271) 3.332 29.985 ( 0.000 4.504 -1.546) 4.762 30.183 ( 0.000 11.799 -18.903) 22.284 31.279 ( 0.000 -0.596 4.163) 4.206 31.470 ( 0.000 -8.460 -1.515) 8.594 32.154 ( 0.000 1.339 20.089) 20.134 32.812 ( 0.000 2.938 -17.216) 17.465 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.11 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 16.019 13.108 14.213) 25.108 1.105 ( 20.742 10.898 16.541) 28.681 1.636 ( 6.915 -2.044 -4.965) 8.755 1.756 ( 19.420 18.373 23.855) 35.830 1.933 ( 6.247 5.436 -15.928) 17.952 2.206 ( -0.828 -4.772 1.365) 5.032 2.418 ( 2.931 -3.625 -0.079) 4.662 2.474 ( 4.237 -8.872 -6.006) 11.521 2.565 ( 4.005 -5.025 -2.331) 6.836 2.716 ( 5.227 -7.869 2.264) 9.714 2.799 ( 1.204 -10.451 -3.885) 11.215 2.934 ( -2.954 -9.166 7.871) 12.438 3.068 ( 3.020 4.291 3.574) 6.348 3.133 ( 1.525 -8.876 -1.843) 9.193 3.243 ( -0.873 3.601 -11.479) 12.062 3.286 ( -2.465 3.636 -2.806) 5.213 3.359 ( -1.678 -3.966 1.605) 4.596 3.420 ( -1.294 2.972 3.679) 4.903 3.575 ( -2.297 -2.512 -6.810) 7.613 3.684 ( 6.308 0.869 4.794) 7.971 3.796 ( 1.020 4.701 -4.937) 6.893 3.975 ( 1.147 6.999 -3.186) 7.775 4.037 ( 1.809 1.256 1.606) 2.726 4.137 ( 2.829 -0.864 2.765) 4.049 4.191 ( 1.003 2.531 2.071) 3.421 4.282 ( 5.622 1.610 0.935) 5.922 4.372 ( 3.610 3.889 -0.444) 5.325 4.465 ( 3.637 -0.006 -2.058) 4.179 4.543 ( 2.240 3.748 -1.774) 4.713 4.591 ( 3.667 2.194 -2.137) 4.778 4.773 ( 8.403 4.931 -1.988) 9.943 4.874 ( 11.599 -4.457 -3.664) 12.955 4.981 ( 12.531 0.013 -7.611) 14.662 5.118 ( 9.511 1.603 8.025) 12.547 5.186 ( 10.389 1.053 -2.713) 10.789 5.295 ( 7.943 -3.319 -1.802) 8.795 5.553 ( 1.382 -3.689 1.963) 4.401 5.706 ( 2.272 2.254 -2.707) 4.191 5.964 ( 4.433 0.383 7.050) 8.337 6.109 ( -2.769 -1.941 6.292) 7.144 6.201 ( 6.836 2.603 -1.923) 7.563 6.283 ( 5.229 4.227 -4.073) 7.862 6.405 ( 9.268 -0.557 2.358) 9.579 6.500 ( 3.890 3.731 -1.373) 5.562 6.608 ( 5.914 -1.166 6.484) 8.853 6.665 ( 1.479 3.159 -1.496) 3.796 6.711 ( 3.373 1.917 -1.487) 4.155 6.801 ( 9.337 -6.039 2.223) 11.340 6.983 ( 5.642 0.073 1.766) 5.912 7.117 ( 11.970 -5.992 -5.015) 14.294 7.400 ( 16.361 -8.774 -1.285) 18.610 7.450 ( 16.342 -3.821 0.342) 16.786 7.665 ( 2.357 1.230 7.530) 7.986 7.944 ( -0.223 3.079 4.374) 5.353 8.092 ( -2.388 7.020 -5.153) 9.030 8.293 ( -5.269 3.523 -4.690) 7.885 8.426 ( -6.409 1.750 2.469) 7.087 8.630 ( -0.580 3.784 2.980) 4.851 8.745 ( 0.157 4.205 -3.958) 5.777 8.854 ( 3.572 2.888 0.415) 4.612 8.957 ( -0.671 -1.609 -0.406) 1.790 9.138 ( -4.254 -1.995 1.156) 4.839 9.224 ( -2.255 2.657 -11.507) 12.023 9.310 ( -3.149 0.229 -0.070) 3.158 9.644 ( -4.683 -3.003 4.879) 7.399 9.839 ( 2.790 -3.281 -1.986) 4.743 9.888 ( -0.756 -6.814 0.606) 6.883 9.965 ( 0.033 -0.611 -4.599) 4.640 10.065 ( -2.716 -0.678 6.040) 6.657 10.179 ( -0.225 -0.285 3.149) 3.170 10.292 ( -2.593 2.158 7.040) 7.807 10.584 ( -9.950 -1.608 -4.397) 10.997 11.567 ( 2.937 6.657 3.301) 7.990 11.784 ( 8.736 0.807 -5.154) 10.175 12.136 ( -0.281 -2.196 2.296) 3.190 12.253 ( 3.106 -3.100 -2.189) 4.904 12.788 ( -0.970 -3.876 1.471) 4.258 12.909 ( 1.914 0.484 -3.667) 4.165 13.054 ( -10.310 0.544 2.758) 10.686 13.128 ( -10.789 0.074 -0.815) 10.820 13.334 ( -3.726 -1.204 1.443) 4.173 13.402 ( 0.559 -5.421 0.830) 5.512 13.514 ( -3.003 -3.316 0.255) 4.481 13.622 ( 2.723 1.663 -1.323) 3.454 14.159 ( 6.487 2.141 4.228) 8.034 14.187 ( 1.204 -0.508 0.708) 1.487 14.298 ( -0.129 5.234 -4.183) 6.701 14.363 ( 2.133 2.420 -3.197) 4.542 14.581 ( -0.801 2.862 2.271) 3.740 14.626 ( 3.882 1.970 -2.787) 5.169 14.849 ( 4.080 -3.529 2.766) 6.062 15.017 ( -2.329 -4.689 -4.541) 6.930 15.240 ( -2.022 -6.072 10.092) 11.951 15.514 ( -3.905 -7.089 -1.846) 8.301 15.928 ( -4.522 -7.255 2.078) 8.798 16.018 ( -5.016 9.744 0.704) 10.982 16.164 ( -4.514 -2.892 -3.415) 6.356 16.292 ( -3.108 8.690 -6.230) 11.135 16.779 ( -3.505 -5.702 1.898) 6.957 16.838 ( -5.062 -3.861 -0.257) 6.372 21.569 ( -1.859 3.886 1.842) 4.685 21.625 ( -2.102 1.835 1.197) 3.036 21.764 ( -3.236 4.932 0.194) 5.902 21.827 ( -2.396 2.674 -1.605) 3.933 24.990 ( 2.811 -0.631 -0.524) 2.928 25.034 ( 3.910 -0.455 -1.729) 4.299 25.115 ( 2.567 0.242 1.373) 2.921 25.173 ( 1.764 -0.102 -1.023) 2.041 25.546 ( 8.356 1.655 0.770) 8.553 25.612 ( 6.414 -0.093 -1.432) 6.572 25.697 ( 4.962 -0.959 0.721) 5.105 25.750 ( 4.249 -0.925 -0.538) 4.381 26.798 ( 1.705 0.354 0.270) 1.763 26.874 ( 3.586 2.244 -3.176) 5.290 26.947 ( 7.076 0.247 -1.153) 7.174 26.966 ( 6.980 0.601 -2.020) 7.291 27.566 ( 11.380 -10.698 9.072) 18.062 27.664 ( 0.436 -4.108 1.962) 4.574 28.095 ( 2.321 -2.299 0.377) 3.289 28.257 ( -7.305 -1.984 -5.062) 9.106 28.711 ( 1.313 2.761 2.349) 3.856 28.913 ( -0.194 4.263 -8.457) 9.473 29.107 ( 0.169 -2.012 3.356) 3.917 29.372 ( -1.363 -4.382 -4.936) 6.740 29.555 ( -2.387 0.549 6.088) 6.562 29.684 ( -1.542 -0.683 3.084) 3.515 29.937 ( -3.211 5.196 0.034) 6.108 30.171 ( -1.036 7.343 -13.435) 15.346 31.268 ( -0.974 -0.628 3.872) 4.042 31.435 ( -2.991 -7.513 -0.527) 8.103 32.011 ( -12.181 5.268 16.636) 21.281 32.440 ( -24.810 10.461 -5.002) 27.386 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.22 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 18.248 8.334 8.825) 21.917 1.483 ( 18.193 7.723 7.787) 21.243 1.722 ( 1.863 -0.490 0.756) 2.069 1.956 ( 2.023 4.294 -9.120) 10.281 2.131 ( -1.410 -5.755 5.037) 7.777 2.304 ( 12.671 2.479 10.924) 16.913 2.422 ( 2.031 -4.388 1.700) 5.125 2.517 ( -0.976 -3.508 -5.630) 6.705 2.628 ( -1.392 -5.752 -11.119) 12.596 2.744 ( -3.127 -7.797 4.484) 9.523 2.792 ( 1.506 -5.269 1.563) 5.698 2.929 ( 0.055 -10.065 2.363) 10.338 3.066 ( -7.546 -1.659 -5.100) 9.258 3.108 ( -2.517 -1.976 -0.464) 3.233 3.175 ( -3.434 -0.544 -0.434) 3.503 3.277 ( 3.341 -0.725 -0.483) 3.453 3.331 ( -1.970 -1.473 -2.657) 3.621 3.496 ( 8.297 -1.006 -0.091) 8.359 3.579 ( 1.533 -1.989 -1.189) 2.779 3.722 ( -3.028 5.307 2.654) 6.662 3.808 ( 0.357 3.978 -4.890) 6.314 3.975 ( 1.350 7.331 -0.391) 7.464 4.083 ( 0.970 -5.132 3.686) 6.393 4.186 ( -0.171 1.209 -1.444) 1.891 4.230 ( 4.303 1.728 1.159) 4.780 4.407 ( 4.347 1.532 2.270) 5.138 4.480 ( 4.941 3.089 0.517) 5.850 4.544 ( 3.973 4.241 -0.236) 5.816 4.668 ( 5.148 6.295 0.225) 8.135 4.723 ( 10.239 2.464 -6.504) 12.378 4.929 ( 6.726 5.707 -0.461) 8.833 5.074 ( 7.015 -1.991 -3.970) 8.302 5.193 ( 8.905 -0.209 -0.648) 8.931 5.356 ( 9.744 -2.359 -1.055) 10.081 5.434 ( 12.690 0.901 0.680) 12.740 5.500 ( 11.340 -1.661 -1.857) 11.610 5.718 ( 11.739 1.947 4.803) 12.832 5.781 ( 7.553 4.603 0.671) 8.870 6.008 ( -0.014 2.424 4.115) 4.776 6.072 ( -1.165 0.639 4.533) 4.724 6.316 ( 2.394 1.658 -0.924) 3.055 6.409 ( 4.813 -2.037 -2.242) 5.687 6.508 ( 2.063 2.014 1.946) 3.479 6.617 ( 3.490 3.043 -0.541) 4.662 6.767 ( 16.084 3.463 1.880) 16.560 6.791 ( 16.011 6.208 -1.933) 17.281 7.040 ( 23.358 -0.978 3.540) 23.645 7.135 ( 15.698 -3.301 2.393) 16.219 7.175 ( 15.012 -1.441 0.620) 15.094 7.407 ( 15.181 0.328 -5.543) 16.165 7.668 ( 7.441 -1.263 2.558) 7.969 7.744 ( 11.007 -2.522 3.073) 11.703 7.843 ( 13.148 -4.224 -3.242) 14.186 8.005 ( 0.569 0.164 2.109) 2.191 8.047 ( 5.022 -2.261 -5.120) 7.520 8.216 ( -1.253 4.055 0.601) 4.286 8.329 ( -0.699 3.023 2.997) 4.314 8.638 ( 0.915 0.725 -2.004) 2.319 8.735 ( -1.375 0.785 -2.113) 2.640 8.876 ( -2.238 1.673 -2.065) 3.474 8.953 ( 0.468 -0.545 -1.449) 1.617 9.056 ( -3.172 5.140 -4.865) 7.756 9.184 ( -0.855 -0.668 -0.948) 1.441 9.258 ( -1.051 -5.025 0.652) 5.174 9.512 ( -6.776 -1.523 4.600) 8.331 9.788 ( -8.674 -4.783 5.656) 11.407 9.832 ( -4.297 -4.924 -5.179) 8.338 9.973 ( 1.811 0.169 2.598) 3.172 10.033 ( -2.268 -5.117 -2.688) 6.209 10.156 ( -1.018 2.404 0.053) 2.612 10.298 ( 2.361 -1.012 4.605) 5.273 10.400 ( -6.160 1.190 -1.258) 6.399 11.617 ( 1.825 8.040 4.494) 9.390 11.915 ( 2.032 -0.869 -8.379) 8.666 12.182 ( 4.890 -3.710 4.544) 7.637 12.310 ( 2.228 -3.117 -0.500) 3.864 12.722 ( -5.180 -0.935 0.725) 5.313 12.792 ( -11.706 0.828 -1.517) 11.833 12.961 ( -0.990 -2.189 0.819) 2.538 13.066 ( 5.970 -1.085 -2.134) 6.432 13.257 ( -3.371 -1.901 3.287) 5.077 13.416 ( 0.738 -4.083 -1.050) 4.280 13.500 ( 1.234 -0.724 0.128) 1.437 13.670 ( 1.802 0.949 -2.220) 3.013 14.147 ( -3.502 4.300 -0.544) 5.572 14.190 ( -2.262 3.676 -0.530) 4.349 14.271 ( -3.721 1.775 1.499) 4.386 14.426 ( 0.427 0.320 -2.746) 2.797 14.584 ( 4.620 3.159 3.729) 6.725 14.736 ( 5.461 2.385 -2.974) 6.660 14.940 ( 4.101 -4.113 1.387) 5.972 15.011 ( 2.752 -4.408 -1.889) 5.529 15.207 ( -0.903 -3.214 7.381) 8.101 15.456 ( -1.780 -5.629 -1.885) 6.197 15.807 ( -7.103 -3.788 0.746) 8.084 15.891 ( -7.615 3.539 0.389) 8.407 16.073 ( -2.724 -0.240 -0.340) 2.755 16.223 ( -3.493 5.587 -5.151) 8.363 16.652 ( -8.051 -4.975 1.579) 9.595 16.690 ( -8.796 -4.431 0.158) 9.850 21.526 ( -1.982 3.689 1.882) 4.591 21.587 ( -1.714 1.941 0.284) 2.605 21.681 ( -4.047 3.833 0.605) 5.607 21.773 ( -2.931 1.376 -2.372) 4.014 24.993 ( -1.523 1.436 0.886) 2.273 25.061 ( -0.166 1.402 -1.789) 2.279 25.160 ( 0.424 -0.600 0.534) 0.908 25.179 ( -0.945 0.056 -0.206) 0.968 25.757 ( 10.756 -0.089 1.619) 10.878 25.803 ( 11.640 0.221 1.508) 11.740 25.878 ( 9.580 -2.258 -1.007) 9.894 25.901 ( 10.994 -1.561 -1.013) 11.151 26.837 ( 1.938 1.155 1.143) 2.529 26.933 ( 2.883 2.847 -2.118) 4.572 27.098 ( 6.197 2.478 -1.026) 6.753 27.120 ( 6.947 1.251 -2.079) 7.358 27.589 ( -4.805 -1.027 5.662) 7.497 27.791 ( 5.439 -4.704 -1.829) 7.420 28.069 ( -7.577 -2.552 0.364) 8.004 28.168 ( 2.864 -7.848 -2.664) 8.769 28.751 ( 2.294 1.205 -0.015) 2.591 28.898 ( -1.212 5.964 -6.409) 8.838 29.122 ( 1.374 -2.519 1.584) 3.277 29.343 ( -1.126 -2.760 -4.727) 5.588 29.491 ( -3.227 1.217 6.222) 7.114 29.650 ( -2.305 1.468 0.380) 2.759 29.905 ( 0.839 -0.561 3.427) 3.573 30.148 ( -0.940 1.636 -7.764) 7.990 31.245 ( -0.962 -0.566 3.025) 3.225 31.366 ( -3.301 -5.316 0.224) 6.261 31.736 ( -12.698 8.069 8.878) 17.469 31.990 ( -18.421 6.088 -1.733) 19.478 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 3.105 1.834 7.062) 7.929 1.737 ( 9.303 0.159 6.905) 11.587 1.892 ( 15.204 1.483 -1.694) 15.370 2.006 ( -1.620 -8.404 0.699) 8.587 2.079 ( 1.979 -1.381 -2.576) 3.530 2.354 ( 1.412 0.578 -0.271) 1.550 2.392 ( -8.112 -6.124 -5.292) 11.459 2.492 ( -0.862 -0.198 5.637) 5.706 2.561 ( -5.950 -1.756 -8.226) 10.303 2.710 ( -0.889 -5.376 -0.164) 5.452 2.778 ( -4.063 -4.291 5.020) 7.754 2.885 ( -2.543 0.072 -5.498) 6.058 2.954 ( -1.866 -8.979 2.721) 9.566 3.042 ( -4.160 3.432 -1.192) 5.523 3.115 ( -2.740 -0.156 -4.385) 5.173 3.241 ( -4.188 -4.029 -4.486) 7.341 3.398 ( 3.793 0.958 1.958) 4.375 3.566 ( -0.233 -0.531 7.979) 8.000 3.629 ( 3.535 -1.699 -0.302) 3.934 3.706 ( 1.800 -1.982 -4.242) 5.016 3.820 ( 1.207 6.378 -2.933) 7.123 3.981 ( -1.079 6.431 -1.184) 6.628 4.110 ( 1.595 -0.703 5.083) 5.373 4.175 ( -0.770 -2.557 1.681) 3.156 4.261 ( 0.345 3.293 1.832) 3.784 4.444 ( -1.128 2.080 5.422) 5.916 4.552 ( 2.178 1.792 -6.470) 7.058 4.638 ( 3.666 2.523 -1.392) 4.663 4.775 ( 5.468 5.752 1.979) 8.179 4.897 ( 6.249 4.138 -4.114) 8.549 5.041 ( 3.419 6.824 0.795) 7.674 5.160 ( 1.330 3.213 -2.745) 4.430 5.316 ( 2.103 -3.461 4.742) 6.236 5.476 ( 2.191 -0.956 0.363) 2.418 5.670 ( 7.094 2.355 0.722) 7.509 5.735 ( 9.388 2.420 -0.613) 9.714 5.857 ( 4.151 1.558 4.639) 6.417 5.960 ( -0.470 3.673 1.254) 3.910 6.077 ( 11.931 3.441 -0.322) 12.421 6.103 ( 6.728 2.378 1.011) 7.207 6.410 ( 8.023 -0.167 1.067) 8.095 6.486 ( 4.017 -1.033 -0.627) 4.195 6.571 ( 5.002 1.799 0.667) 5.357 6.695 ( 3.616 2.183 -4.724) 6.337 7.150 ( 16.408 1.182 4.137) 16.962 7.183 ( 15.478 0.650 -2.694) 15.724 7.364 ( 10.388 0.041 6.952) 12.500 7.509 ( 15.599 -1.402 0.684) 15.677 7.536 ( 17.457 0.727 0.130) 17.472 7.674 ( 8.270 -0.369 -1.276) 8.376 7.846 ( 8.758 -0.563 -0.730) 8.806 7.926 ( 6.131 -2.297 -4.198) 7.778 7.961 ( 2.014 0.602 1.382) 2.516 8.095 ( 11.389 3.123 -4.409) 12.606 8.225 ( 8.257 1.226 1.007) 8.408 8.277 ( 7.473 -2.093 0.904) 7.813 8.437 ( 7.332 -0.837 2.408) 7.762 8.620 ( -3.184 -2.480 -3.370) 5.258 8.707 ( -0.328 2.214 -0.660) 2.333 8.817 ( -2.106 2.691 -2.851) 4.450 8.956 ( -0.210 1.849 -2.358) 3.004 9.002 ( -1.926 -0.031 -0.654) 2.034 9.206 ( 2.551 -4.232 2.208) 5.413 9.271 ( 1.895 -2.899 -0.185) 3.468 9.402 ( -3.437 -1.083 2.506) 4.389 9.598 ( -8.592 -3.951 5.944) 11.170 9.695 ( -7.407 -4.921 -5.967) 10.709 9.867 ( -9.071 -7.238 -0.806) 11.633 10.074 ( 4.307 -0.457 -3.024) 5.282 10.164 ( 1.071 1.791 -4.028) 4.537 10.332 ( 0.044 2.209 3.610) 4.232 10.351 ( 0.873 -0.122 3.305) 3.420 11.650 ( 1.598 7.224 4.978) 8.917 11.881 ( -4.217 -0.755 -3.385) 5.460 12.273 ( 2.507 -4.358 0.280) 5.035 12.360 ( 3.007 -3.800 -2.446) 5.428 12.550 ( -9.484 0.638 0.846) 9.543 12.624 ( -5.011 0.476 -2.584) 5.658 12.988 ( 2.784 -2.833 6.010) 7.204 13.144 ( -0.990 -4.600 5.555) 7.280 13.261 ( 5.072 1.891 -3.509) 6.451 13.430 ( 0.383 -2.152 -2.945) 3.668 13.548 ( 3.046 0.690 -0.875) 3.244 13.694 ( 0.422 -0.081 -1.821) 1.871 14.066 ( -3.615 4.666 -0.499) 5.923 14.134 ( -2.700 3.904 -1.476) 4.971 14.183 ( -3.844 2.223 0.289) 4.450 14.331 ( -6.887 -0.774 -3.380) 7.711 14.752 ( 8.751 2.290 2.947) 9.514 14.849 ( 5.305 0.227 2.011) 5.678 15.041 ( 5.657 -2.079 -0.323) 6.035 15.094 ( 4.175 -4.340 -1.770) 6.277 15.203 ( 0.550 -1.833 5.847) 6.152 15.431 ( -0.737 -3.576 -2.278) 4.303 15.646 ( -8.077 -0.835 0.913) 8.172 15.713 ( -8.862 1.586 -0.385) 9.011 16.056 ( 0.604 -1.116 0.537) 1.379 16.156 ( -2.698 2.750 -3.462) 5.180 16.472 ( -8.526 -4.506 1.293) 9.729 16.496 ( -9.234 -4.727 0.257) 10.376 21.494 ( -0.997 3.198 1.511) 3.675 21.549 ( -2.012 1.973 0.161) 2.822 21.616 ( -1.778 2.512 0.412) 3.105 21.707 ( -3.238 0.930 -2.332) 4.097 24.968 ( -0.469 2.174 1.476) 2.669 25.048 ( -0.952 1.855 -1.877) 2.805 25.127 ( -2.313 0.015 0.664) 2.406 25.152 ( -1.773 0.338 -0.295) 1.829 25.978 ( 10.114 -1.838 1.856) 10.446 26.039 ( 9.386 -0.140 0.177) 9.389 26.078 ( 9.411 -0.214 0.546) 9.429 26.125 ( 9.160 -2.056 -1.568) 9.518 26.875 ( 1.789 1.919 1.976) 3.285 27.001 ( 3.452 2.032 -2.054) 4.502 27.152 ( -1.648 3.960 0.228) 4.295 27.236 ( 3.659 0.167 -2.746) 4.578 27.512 ( -1.247 2.074 4.200) 4.847 27.713 ( -9.147 1.488 -4.342) 10.234 28.062 ( 4.334 -4.471 4.263) 7.546 28.204 ( 0.445 -7.230 -1.393) 7.376 28.795 ( 1.832 1.241 -1.596) 2.728 28.871 ( -1.235 5.126 -4.025) 6.633 29.162 ( 2.397 -2.127 0.413) 3.231 29.322 ( -1.271 -1.972 -3.504) 4.217 29.438 ( -1.467 2.142 5.557) 6.133 29.579 ( -4.105 3.493 -0.329) 5.400 29.968 ( 4.544 -5.646 2.891) 7.802 30.136 ( -0.384 -2.903 -4.333) 5.230 31.238 ( 0.545 -0.212 1.744) 1.839 31.311 ( -1.692 -2.859 0.104) 3.324 31.509 ( -8.949 5.397 3.918) 11.161 31.662 ( -13.285 2.448 -1.343) 13.575 ======================= Grid point 76 (30/60) ======================= q-point: ( 0.44 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.353 -5.152 8.663) 10.979 1.841 ( -7.671 -11.039 6.049) 14.741 1.959 ( 7.211 -4.030 1.746) 8.444 2.057 ( -0.759 -4.659 -0.402) 4.737 2.175 ( 3.677 -0.489 -9.342) 10.051 2.260 ( -4.364 -1.156 -2.809) 5.316 2.401 ( 1.606 1.311 -2.901) 3.565 2.450 ( -2.643 1.782 -4.460) 5.481 2.561 ( 7.898 2.380 5.071) 9.683 2.675 ( -2.182 -2.091 2.940) 4.216 2.736 ( 0.706 -5.069 -2.590) 5.736 2.825 ( -1.183 0.989 -0.552) 1.638 2.897 ( -3.898 -2.410 2.025) 5.010 2.909 ( -7.750 1.228 -2.122) 8.128 3.091 ( 0.574 -0.025 -6.567) 6.593 3.141 ( -4.384 -0.208 -5.133) 6.754 3.463 ( 3.342 0.122 0.544) 3.388 3.536 ( -3.239 2.202 -0.344) 3.932 3.720 ( 3.738 -2.984 2.104) 5.225 3.741 ( 1.068 -4.868 3.009) 5.821 3.864 ( 3.149 2.757 -1.981) 4.631 3.939 ( -3.088 3.483 -1.916) 5.033 4.131 ( 1.064 -1.176 3.461) 3.807 4.161 ( -0.941 -1.684 2.332) 3.027 4.298 ( 3.048 4.185 5.436) 7.507 4.377 ( -4.299 2.005 7.144) 8.575 4.600 ( 2.867 0.113 -6.706) 7.294 4.659 ( -1.795 0.151 -4.419) 4.772 4.889 ( 5.595 6.870 3.571) 9.553 4.978 ( -0.228 11.463 -1.788) 11.604 5.072 ( 1.700 3.302 1.530) 4.017 5.139 ( -2.806 4.960 -0.983) 5.783 5.355 ( 2.926 -0.388 4.960) 5.772 5.438 ( -4.354 1.020 2.574) 5.160 5.758 ( 3.313 2.367 2.084) 4.574 5.825 ( -2.820 0.309 2.856) 4.026 5.891 ( 4.502 6.101 -2.416) 7.958 5.960 ( -1.560 5.330 -3.286) 6.453 6.241 ( 5.655 -1.931 4.373) 7.405 6.280 ( 3.177 -0.723 1.493) 3.584 6.597 ( 7.325 -1.757 -0.437) 7.546 6.611 ( 6.085 -0.899 -0.083) 6.151 6.685 ( 4.572 0.804 -2.620) 5.331 6.739 ( 0.051 0.771 -5.159) 5.217 7.369 ( 7.408 -0.158 3.259) 8.095 7.398 ( 5.851 0.185 1.284) 5.993 7.492 ( 0.700 0.421 3.332) 3.431 7.570 ( -6.704 1.175 1.915) 7.070 7.789 ( 8.366 0.074 0.062) 8.367 7.848 ( 3.222 -0.610 -1.244) 3.508 7.963 ( 7.336 -3.188 -4.376) 9.117 8.018 ( 4.327 -2.284 -4.216) 6.459 8.177 ( 6.825 2.657 1.671) 7.513 8.224 ( 0.857 4.968 1.062) 5.151 8.394 ( 5.498 0.289 1.989) 5.854 8.423 ( 5.381 0.880 -1.569) 5.674 8.500 ( 1.418 -1.270 -1.170) 2.235 8.568 ( -2.586 -1.630 -2.756) 4.116 8.744 ( 3.110 1.223 -1.117) 3.523 8.789 ( -1.464 2.506 -0.216) 2.910 8.951 ( 0.305 0.076 -0.097) 0.328 8.973 ( -1.433 -0.289 0.653) 1.601 9.276 ( 4.041 -4.749 1.767) 6.481 9.313 ( 1.503 -2.203 0.347) 2.689 9.357 ( -0.769 0.228 -0.266) 0.845 9.441 ( -6.801 -6.011 1.012) 9.133 9.606 ( 0.260 -5.691 -1.933) 6.016 9.690 ( -6.960 -6.412 -2.070) 9.687 10.155 ( 2.858 0.978 -3.283) 4.461 10.180 ( 0.168 2.307 -4.093) 4.702 10.338 ( 0.762 1.480 3.258) 3.658 10.357 ( -0.642 -0.483 2.674) 2.792 11.694 ( 2.908 4.058 4.090) 6.454 11.777 ( -4.984 0.803 1.250) 5.200 12.305 ( 1.664 -3.508 0.336) 3.898 12.371 ( -4.345 -5.636 -0.555) 7.137 12.456 ( 2.731 2.520 -3.096) 4.837 12.533 ( -4.021 0.477 -4.398) 5.978 13.051 ( 2.908 -2.256 8.638) 9.389 13.104 ( -2.244 -3.163 8.343) 9.200 13.364 ( 3.903 1.579 -4.560) 6.206 13.420 ( -1.540 0.192 -4.083) 4.368 13.618 ( 3.516 -0.086 -1.688) 3.901 13.680 ( -1.964 -0.965 -1.933) 2.920 14.027 ( 0.400 3.563 0.631) 3.641 14.073 ( -3.203 2.460 1.221) 4.219 14.144 ( 0.492 2.800 -4.126) 5.011 14.201 ( -4.883 0.567 -3.920) 6.287 14.900 ( 4.876 0.005 3.790) 6.176 14.934 ( 1.845 -1.278 4.516) 5.043 15.127 ( 2.429 -1.958 -3.086) 4.388 15.156 ( 0.381 -3.977 -2.591) 4.762 15.268 ( 6.813 0.610 5.459) 8.751 15.412 ( -3.492 -1.416 1.524) 4.065 15.497 ( -3.359 1.130 -1.378) 3.802 15.552 ( -6.036 0.593 -1.363) 6.216 16.084 ( 1.815 -1.341 0.048) 2.257 16.116 ( -1.316 0.179 -1.310) 1.866 16.332 ( -3.989 -4.587 0.605) 6.109 16.340 ( -4.747 -4.752 0.239) 6.721 21.487 ( 0.342 2.680 1.229) 2.968 21.508 ( -1.658 2.281 0.886) 2.956 21.609 ( 0.862 1.473 -0.832) 1.899 21.645 ( -2.516 0.989 -1.771) 3.232 24.979 ( 1.424 2.095 0.965) 2.711 25.018 ( -1.996 1.943 -0.499) 2.830 25.097 ( -0.223 0.538 0.143) 0.600 25.114 ( -1.596 0.704 -0.352) 1.779 26.144 ( 5.031 -1.305 1.382) 5.378 26.168 ( 2.760 -0.458 0.658) 2.874 26.232 ( 4.729 -0.530 -0.412) 4.776 26.254 ( 2.811 -1.925 -1.559) 3.747 26.922 ( 3.088 2.209 3.055) 4.874 27.008 ( -4.281 1.392 2.933) 5.373 27.143 ( 4.019 2.388 -4.589) 6.551 27.241 ( -3.440 -0.641 -5.731) 6.715 27.522 ( 1.277 4.380 2.811) 5.359 27.566 ( -3.926 4.290 1.353) 5.970 28.144 ( 3.162 -4.688 1.697) 5.904 28.192 ( -1.474 -5.488 0.116) 5.683 28.827 ( 1.222 2.302 -2.327) 3.494 28.849 ( -0.969 3.523 -2.889) 4.658 29.219 ( 2.986 -1.736 0.096) 3.455 29.280 ( -2.685 -1.868 -0.912) 3.396 29.440 ( 1.577 3.179 2.738) 4.482 29.496 ( -3.604 3.505 0.828) 5.095 30.062 ( 3.922 -6.682 0.702) 7.780 30.119 ( -1.572 -5.744 -1.667) 6.184 31.273 ( 2.522 0.617 0.246) 2.608 31.304 ( 0.718 -0.032 -0.387) 0.816 31.373 ( -3.467 1.671 2.147) 4.407 31.439 ( -8.003 0.588 -0.177) 8.027 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 14.473 16.653) 22.063 1.168 ( 0.000 16.644 1.787) 16.740 1.512 ( 0.000 -6.302 -4.705) 7.864 1.777 ( 0.000 -11.156 -15.318) 18.950 1.941 ( 0.000 5.372 11.774) 12.942 2.100 ( 0.000 6.311 1.160) 6.417 2.242 ( 0.000 -7.027 -3.555) 7.876 2.333 ( 0.000 -3.528 7.230) 8.045 2.440 ( 0.000 -3.709 8.465) 9.242 2.557 ( 0.000 -9.029 -0.960) 9.079 2.635 ( 0.000 1.597 2.294) 2.796 2.795 ( 0.000 0.193 5.222) 5.225 2.981 ( 0.000 -3.352 -4.161) 5.344 3.183 ( 0.000 -0.578 7.691) 7.713 3.236 ( 0.000 -0.453 3.684) 3.712 3.322 ( 0.000 -3.102 -9.309) 9.812 3.377 ( 0.000 -2.398 0.827) 2.537 3.417 ( 0.000 -0.548 0.187) 0.579 3.583 ( 0.000 9.186 -2.177) 9.440 3.707 ( 0.000 0.874 -8.147) 8.193 3.847 ( 0.000 2.068 -0.013) 2.068 3.961 ( 0.000 1.753 -0.691) 1.884 4.134 ( 0.000 1.484 -2.464) 2.876 4.197 ( 0.000 0.758 -2.755) 2.857 4.245 ( 0.000 2.522 -3.405) 4.238 4.259 ( 0.000 3.357 -5.363) 6.327 4.404 ( 0.000 4.420 4.017) 5.973 4.457 ( 0.000 2.560 0.145) 2.564 4.507 ( 0.000 -2.465 -1.315) 2.794 4.567 ( 0.000 3.307 3.929) 5.136 4.611 ( 0.000 -1.703 5.528) 5.784 4.725 ( 0.000 1.482 1.514) 2.118 4.909 ( 0.000 0.946 -8.011) 8.066 5.008 ( 0.000 -4.348 4.252) 6.082 5.098 ( 0.000 -2.412 -0.455) 2.455 5.130 ( 0.000 3.566 -3.050) 4.693 5.438 ( 0.000 -3.636 -2.201) 4.251 5.592 ( 0.000 -5.879 -2.497) 6.387 5.997 ( 0.000 5.166 7.105) 8.785 6.122 ( 0.000 1.885 1.771) 2.586 6.148 ( 0.000 -1.258 6.251) 6.377 6.202 ( 0.000 -1.163 5.531) 5.652 6.327 ( 0.000 2.631 -6.276) 6.805 6.461 ( 0.000 -2.822 -0.997) 2.993 6.569 ( 0.000 3.270 0.242) 3.279 6.649 ( 0.000 -1.672 -0.734) 1.826 6.739 ( 0.000 8.446 -4.022) 9.355 6.789 ( 0.000 4.762 -2.360) 5.315 6.896 ( 0.000 2.954 -3.554) 4.621 6.980 ( 0.000 0.603 -3.413) 3.465 7.110 ( 0.000 -4.928 1.843) 5.261 7.204 ( 0.000 -3.795 -0.943) 3.910 7.756 ( 0.000 7.695 9.800) 12.460 8.011 ( 0.000 -0.900 6.557) 6.618 8.262 ( 0.000 3.558 -6.335) 7.266 8.331 ( 0.000 -2.515 -7.860) 8.253 8.547 ( 0.000 3.898 7.803) 8.722 8.682 ( 0.000 3.004 7.499) 8.079 8.803 ( 0.000 -6.581 -1.144) 6.679 8.893 ( 0.000 8.709 0.693) 8.737 8.983 ( 0.000 1.529 2.450) 2.888 9.193 ( 0.000 -2.693 -9.730) 10.095 9.208 ( 0.000 5.884 -5.229) 7.872 9.427 ( 0.000 -0.944 -12.718) 12.753 9.586 ( 0.000 -4.646 5.621) 7.292 9.721 ( 0.000 -3.251 4.430) 5.494 9.818 ( 0.000 -3.518 -1.209) 3.720 9.850 ( 0.000 -6.662 -4.326) 7.943 9.988 ( 0.000 -5.449 8.800) 10.350 10.109 ( 0.000 -7.159 2.969) 7.750 10.457 ( 0.000 8.350 7.107) 10.965 10.653 ( 0.000 -3.700 1.789) 4.110 11.654 ( 0.000 6.740 2.288) 7.117 11.735 ( 0.000 3.310 -0.910) 3.433 12.091 ( 0.000 -3.908 -0.380) 3.926 12.130 ( 0.000 -4.713 -2.025) 5.129 12.753 ( 0.000 0.096 -0.936) 0.940 12.875 ( 0.000 -0.663 -7.166) 7.196 13.109 ( 0.000 -4.637 4.165) 6.233 13.216 ( 0.000 -5.758 0.055) 5.759 13.315 ( 0.000 1.336 3.021) 3.303 13.456 ( 0.000 1.147 -1.460) 1.857 13.511 ( 0.000 -2.961 -1.629) 3.380 13.592 ( 0.000 -0.753 -1.605) 1.773 14.057 ( 0.000 1.808 0.532) 1.885 14.144 ( 0.000 0.259 -0.199) 0.327 14.359 ( 0.000 3.511 -3.542) 4.987 14.471 ( 0.000 6.747 -4.794) 8.277 14.591 ( 0.000 -2.223 3.000) 3.734 14.659 ( 0.000 2.589 0.711) 2.685 14.803 ( 0.000 2.042 0.566) 2.119 14.946 ( 0.000 -4.851 -4.245) 6.447 15.191 ( 0.000 0.490 8.516) 8.530 15.417 ( 0.000 -6.964 -0.192) 6.967 15.805 ( 0.000 -6.351 0.208) 6.354 15.992 ( 0.000 -11.401 -5.824) 12.803 16.344 ( 0.000 9.728 -1.307) 9.815 16.503 ( 0.000 4.902 -7.106) 8.633 16.716 ( 0.000 -2.662 5.077) 5.733 16.808 ( 0.000 -4.688 0.427) 4.708 21.652 ( 0.000 2.524 1.850) 3.129 21.676 ( 0.000 0.952 2.149) 2.351 21.911 ( 0.000 5.010 -0.888) 5.088 21.938 ( 0.000 3.361 -1.014) 3.511 24.934 ( 0.000 1.082 0.550) 1.214 24.961 ( 0.000 -0.125 -0.547) 0.561 25.086 ( 0.000 0.734 0.417) 0.844 25.122 ( 0.000 -0.965 -1.077) 1.446 25.522 ( 0.000 3.072 1.080) 3.256 25.579 ( 0.000 0.554 -0.923) 1.076 25.654 ( 0.000 -0.247 0.243) 0.347 25.687 ( 0.000 -1.460 -0.448) 1.527 26.769 ( 0.000 1.457 0.979) 1.756 26.836 ( 0.000 0.210 -1.482) 1.497 26.854 ( 0.000 0.118 -0.168) 0.206 26.903 ( 0.000 0.005 -3.231) 3.231 27.350 ( 0.000 1.499 14.561) 14.638 27.546 ( 0.000 -6.196 3.915) 7.329 28.142 ( 0.000 3.602 -0.634) 3.658 28.273 ( 0.000 -3.300 -6.821) 7.577 28.777 ( 0.000 3.777 5.091) 6.339 28.908 ( 0.000 -2.452 0.671) 2.542 29.096 ( 0.000 1.288 -2.475) 2.790 29.271 ( 0.000 -6.168 -3.001) 6.859 29.624 ( 0.000 3.016 3.517) 4.633 29.695 ( 0.000 -0.707 2.944) 3.028 30.087 ( 0.000 5.665 -3.234) 6.523 30.263 ( 0.000 -1.275 -13.302) 13.362 31.283 ( 0.000 0.898 2.801) 2.941 31.353 ( 0.000 -3.659 2.000) 4.170 32.293 ( 0.000 10.416 9.661) 14.206 32.726 ( 0.000 -9.191 -9.437) 13.173 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 11.845 10.160 4.667) 16.289 1.337 ( 18.351 13.349 8.467) 24.220 1.564 ( 5.462 -4.301 -4.118) 8.080 1.901 ( 7.283 -11.382 -3.784) 14.032 2.015 ( 4.958 4.602 1.341) 6.897 2.171 ( 5.851 3.418 1.484) 6.937 2.283 ( 4.138 -4.899 -1.902) 6.689 2.351 ( -0.700 -6.097 2.192) 6.517 2.476 ( 4.417 -3.702 4.503) 7.314 2.585 ( 2.947 -7.776 4.506) 9.458 2.676 ( 2.409 -0.475 3.886) 4.597 2.821 ( -0.213 -0.374 3.618) 3.643 2.967 ( 0.485 -3.399 -4.498) 5.659 3.153 ( -1.318 -1.731 5.149) 5.590 3.232 ( -2.218 -1.440 -1.226) 2.915 3.281 ( 0.733 0.744 0.257) 1.075 3.361 ( -2.291 -0.515 -4.171) 4.787 3.437 ( -1.060 0.066 -2.671) 2.874 3.584 ( 0.371 4.377 0.632) 4.438 3.755 ( 4.858 2.003 -4.856) 7.154 3.845 ( -0.253 -0.398 0.195) 0.510 3.993 ( -1.575 -2.347 -6.023) 6.654 4.078 ( 0.654 6.512 0.536) 6.567 4.202 ( 0.237 5.987 -1.959) 6.304 4.273 ( 5.000 1.219 1.763) 5.440 4.319 ( 3.153 3.822 1.979) 5.336 4.419 ( 3.647 -0.134 1.992) 4.158 4.483 ( 3.308 1.176 -2.142) 4.113 4.568 ( 5.291 -0.819 -2.949) 6.113 4.660 ( 7.488 3.438 2.791) 8.699 4.786 ( 11.698 0.681 2.685) 12.021 4.846 ( 9.254 0.331 -0.783) 9.293 4.993 ( 8.001 -1.709 -6.091) 10.200 5.078 ( 6.445 -5.544 3.012) 9.019 5.192 ( 10.664 1.203 1.176) 10.796 5.262 ( 9.217 -0.783 -5.821) 10.929 5.518 ( 8.422 1.519 0.796) 8.595 5.696 ( 8.517 -3.660 -3.826) 10.029 6.003 ( 0.523 3.577 7.465) 8.295 6.084 ( -2.164 -0.770 6.578) 6.968 6.263 ( 9.004 3.762 -0.436) 9.768 6.345 ( 4.838 1.932 -0.197) 5.213 6.434 ( 8.838 2.401 -0.765) 9.190 6.558 ( 11.083 1.316 -2.458) 11.429 6.588 ( 5.184 -1.578 1.904) 5.744 6.645 ( 7.236 -2.504 0.225) 7.660 6.796 ( 3.584 7.776 1.392) 8.675 6.849 ( 2.491 7.554 -4.998) 9.394 7.013 ( 4.502 1.162 -2.570) 5.313 7.069 ( 16.236 2.007 -5.085) 17.131 7.244 ( 13.518 -7.555 2.569) 15.698 7.367 ( 13.246 -6.135 -3.294) 14.964 7.753 ( 0.063 6.691 8.464) 10.789 7.978 ( -2.363 -0.693 5.775) 6.278 8.193 ( -5.838 3.314 -6.017) 9.015 8.297 ( -2.612 -1.952 -5.278) 6.204 8.488 ( -4.410 4.616 7.835) 10.107 8.685 ( -0.281 3.757 6.487) 7.502 8.796 ( -0.368 -5.294 -2.777) 5.990 8.883 ( -2.217 0.445 1.440) 2.680 8.977 ( -1.062 6.630 -2.272) 7.089 9.134 ( -3.493 -1.621 -2.102) 4.387 9.162 ( -2.828 2.695 -2.586) 4.685 9.388 ( -3.728 0.906 -12.816) 13.378 9.544 ( -3.819 -6.766 4.266) 8.864 9.705 ( -3.806 -10.894 2.262) 11.759 9.816 ( -1.741 -2.222 -2.038) 3.481 9.852 ( 2.152 -3.750 -2.291) 4.893 10.011 ( 2.265 -3.332 8.456) 9.367 10.138 ( 2.014 -4.864 2.087) 5.663 10.405 ( -4.414 7.589 4.916) 10.062 10.558 ( -7.304 -1.128 0.317) 7.397 11.716 ( 4.921 7.740 2.573) 9.526 11.812 ( 6.079 1.903 -1.557) 6.558 12.072 ( -0.877 -3.628 1.721) 4.110 12.165 ( 2.338 -5.703 -1.940) 6.462 12.748 ( -0.495 0.054 0.584) 0.768 12.906 ( 2.158 -2.606 -6.593) 7.410 13.031 ( -7.194 -1.059 1.185) 7.367 13.123 ( -10.659 -0.657 -2.600) 10.992 13.282 ( -1.267 -2.789 3.257) 4.471 13.330 ( -4.701 -2.338 5.041) 7.278 13.487 ( -0.179 1.645 -2.408) 2.922 13.627 ( 2.712 -1.711 -4.324) 5.383 14.144 ( 4.282 0.432 0.677) 4.356 14.251 ( 6.869 0.405 0.430) 6.894 14.344 ( -1.326 4.415 -2.431) 5.212 14.491 ( -0.192 7.550 -3.209) 8.206 14.609 ( 2.067 -2.908 0.669) 3.630 14.660 ( 1.904 1.498 -0.396) 2.455 14.814 ( 1.069 0.955 1.228) 1.888 14.936 ( -0.510 -3.154 -3.226) 4.540 15.178 ( -0.910 0.343 8.169) 8.227 15.384 ( -2.325 -6.079 0.205) 6.512 15.779 ( -2.454 -5.903 -0.041) 6.393 15.942 ( -4.454 -10.212 -5.268) 12.324 16.295 ( -4.571 9.748 -0.195) 10.768 16.440 ( -4.936 5.337 -5.213) 8.945 16.680 ( -3.879 -3.790 3.237) 6.316 16.747 ( -5.694 -5.013 0.687) 7.617 21.636 ( -1.447 2.704 1.966) 3.643 21.659 ( -1.509 1.343 2.066) 2.889 21.865 ( -4.069 4.464 -1.201) 6.159 21.889 ( -3.939 2.989 -1.262) 5.104 24.990 ( 3.756 0.644 0.556) 3.851 25.024 ( 4.564 -0.657 -0.517) 4.640 25.126 ( 2.169 0.837 -0.161) 2.330 25.163 ( 2.142 -0.800 -1.435) 2.699 25.584 ( 7.186 2.038 1.274) 7.577 25.625 ( 5.320 1.149 -0.383) 5.456 25.674 ( 2.916 -1.090 1.146) 3.317 25.723 ( 3.932 -1.803 -0.582) 4.364 26.817 ( 2.699 1.576 1.407) 3.428 26.886 ( 4.299 -1.017 0.638) 4.463 26.971 ( 9.178 1.733 -4.178) 10.232 26.986 ( 7.843 1.194 -5.340) 9.563 27.437 ( 8.232 -2.130 13.082) 15.602 27.566 ( 1.647 -5.602 5.125) 7.769 28.105 ( -3.197 2.114 -1.167) 4.006 28.210 ( -5.906 -2.721 -5.631) 8.602 28.776 ( 0.212 3.719 3.738) 5.277 28.922 ( 1.277 -2.510 -0.227) 2.825 29.095 ( -0.031 1.433 -2.451) 2.839 29.264 ( -0.480 -5.883 -3.377) 6.800 29.600 ( -2.315 2.896 3.845) 5.342 29.671 ( -1.673 -0.774 3.392) 3.860 30.044 ( -3.933 5.698 -2.523) 7.369 30.222 ( -3.608 -1.504 -11.144) 11.810 31.269 ( -1.187 0.720 2.648) 2.990 31.332 ( -1.804 -3.288 1.821) 4.169 32.171 ( -10.920 9.768 7.829) 16.612 32.493 ( -19.219 -3.547 -5.933) 20.424 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 10.095 2.933 4.598) 11.474 1.639 ( 11.063 3.993 -1.552) 11.864 1.713 ( 6.812 1.614 1.984) 7.277 1.934 ( -4.341 -3.044 6.263) 8.206 2.055 ( -0.145 -1.327 -6.597) 6.731 2.237 ( 0.626 -8.279 -0.711) 8.333 2.344 ( 0.818 -5.698 -1.600) 5.975 2.461 ( 6.828 -0.259 0.319) 6.841 2.527 ( 2.020 -3.810 -0.565) 4.349 2.641 ( 1.271 -6.209 6.412) 9.016 2.687 ( -0.343 -3.109 4.081) 5.142 2.802 ( -0.390 -1.469 2.458) 2.890 3.000 ( -2.007 -0.802 -3.475) 4.092 3.100 ( -1.414 -3.090 1.485) 3.709 3.178 ( -1.791 1.006 -5.326) 5.708 3.271 ( -4.666 0.758 -4.775) 6.720 3.347 ( 3.935 2.256 2.824) 5.343 3.486 ( 5.356 -0.954 1.683) 5.694 3.568 ( -1.271 2.286 2.420) 3.564 3.775 ( -4.940 -2.463 -2.061) 5.892 3.868 ( 3.623 3.360 -1.579) 5.187 3.980 ( 1.812 -2.634 -1.369) 3.478 4.142 ( 2.261 8.655 0.784) 8.980 4.207 ( 0.288 2.697 -1.337) 3.024 4.303 ( -0.913 1.729 2.364) 3.068 4.440 ( 6.043 2.889 2.505) 7.151 4.486 ( 0.537 -3.005 2.738) 4.100 4.593 ( 6.118 0.439 -4.071) 7.362 4.722 ( 8.780 2.188 -1.692) 9.206 4.824 ( 7.389 3.152 -2.545) 8.427 4.991 ( 8.728 2.035 1.659) 9.115 5.077 ( 10.826 1.660 0.176) 10.954 5.210 ( 11.193 0.868 -2.587) 11.520 5.266 ( 10.831 -5.520 -0.576) 12.170 5.450 ( 11.560 0.916 0.763) 11.621 5.495 ( 14.136 0.387 -2.319) 14.330 5.759 ( 11.999 2.750 2.690) 12.600 5.845 ( 4.970 0.852 0.050) 5.043 6.055 ( 3.770 2.778 3.041) 5.584 6.103 ( 5.439 1.750 0.962) 5.794 6.381 ( -0.680 2.625 -0.258) 2.724 6.400 ( 3.880 2.065 -1.185) 4.552 6.554 ( 4.638 2.232 1.191) 5.283 6.660 ( 4.375 1.444 -1.592) 4.874 6.849 ( 14.684 4.671 1.200) 15.456 6.926 ( 10.675 4.183 1.309) 11.540 7.054 ( 22.746 2.494 -1.994) 22.969 7.107 ( 21.582 2.256 2.340) 21.825 7.195 ( 13.216 4.205 1.277) 13.928 7.431 ( 17.555 1.893 -6.064) 18.669 7.573 ( 13.178 -8.283 -0.226) 15.566 7.669 ( 13.641 -5.643 -2.142) 14.917 7.808 ( 7.356 1.481 3.684) 8.359 7.969 ( 2.856 -2.508 5.182) 6.427 8.087 ( -1.931 3.955 -4.657) 6.407 8.249 ( -0.944 -0.738 -4.072) 4.245 8.415 ( -1.615 5.481 8.288) 10.067 8.664 ( -1.648 2.289 1.867) 3.383 8.776 ( -2.116 1.159 2.081) 3.187 8.827 ( -2.225 -6.594 0.363) 6.969 8.929 ( -2.072 1.005 -7.067) 7.433 9.078 ( -2.348 -6.933 2.945) 7.890 9.127 ( -1.382 5.811 -0.938) 6.046 9.289 ( -4.546 1.512 -8.239) 9.531 9.439 ( -5.348 -5.641 0.992) 7.836 9.601 ( -6.478 -13.217 1.488) 14.794 9.741 ( -4.996 -2.662 -2.002) 6.005 9.852 ( -3.116 -6.778 0.414) 7.472 10.071 ( 2.265 3.193 2.716) 4.764 10.167 ( 1.193 -1.363 1.098) 2.118 10.319 ( -2.349 4.085 1.876) 5.072 10.436 ( -3.530 1.196 -0.182) 3.732 11.804 ( 2.679 10.153 2.329) 10.756 11.913 ( 1.855 1.255 -3.191) 3.898 12.082 ( 2.359 -6.029 4.466) 7.864 12.208 ( 1.600 -7.165 -1.073) 7.419 12.714 ( -3.617 0.774 1.895) 4.156 12.830 ( -10.469 2.518 -1.681) 10.898 12.890 ( -2.591 -4.977 -0.501) 5.634 13.005 ( 0.796 -4.568 -3.129) 5.594 13.247 ( 0.747 1.459 3.089) 3.496 13.340 ( 2.485 -3.128 2.930) 4.954 13.528 ( 2.972 3.363 -2.155) 4.979 13.676 ( 1.587 -1.103 -5.990) 6.294 14.176 ( -0.565 0.445 1.151) 1.358 14.288 ( -2.379 0.689 -4.426) 5.072 14.316 ( -3.021 5.340 2.381) 6.581 14.456 ( -3.815 2.169 -2.612) 5.107 14.658 ( 5.610 3.837 2.646) 7.293 14.771 ( 5.069 0.282 -2.374) 5.604 14.859 ( 4.085 -2.353 1.997) 5.120 14.951 ( 2.209 -2.114 -2.136) 3.729 15.167 ( 0.132 0.475 7.091) 7.108 15.351 ( -0.570 -5.267 0.248) 5.304 15.706 ( -4.435 -4.700 -0.416) 6.475 15.827 ( -6.278 -7.734 -3.963) 10.721 16.179 ( -5.766 8.306 1.720) 10.256 16.326 ( -5.811 4.055 -4.320) 8.299 16.555 ( -7.815 -4.552 1.707) 9.204 16.587 ( -9.115 -5.261 0.998) 10.572 21.597 ( -2.077 3.070 2.029) 4.226 21.623 ( -1.802 1.471 1.752) 2.912 21.763 ( -5.058 3.864 -1.193) 6.476 21.804 ( -4.057 1.433 -2.063) 4.772 25.034 ( 0.133 2.526 1.106) 2.761 25.090 ( 1.123 1.161 -0.791) 1.799 25.146 ( 0.105 -0.663 -0.207) 0.703 25.173 ( -0.735 -0.717 -0.873) 1.348 25.758 ( 8.271 0.299 1.013) 8.338 25.800 ( 10.352 -1.120 -0.784) 10.442 25.838 ( 11.884 -0.625 1.413) 11.984 25.876 ( 10.611 -1.332 -0.088) 10.695 26.878 ( 2.978 2.935 2.401) 4.822 26.969 ( 3.607 0.103 0.250) 3.617 27.145 ( 6.642 2.738 -4.921) 8.708 27.169 ( 7.767 2.770 -4.732) 9.507 27.562 ( 0.277 -1.264 7.638) 7.746 27.671 ( 9.397 -6.520 5.677) 12.769 28.017 ( -6.571 -1.332 -2.971) 7.333 28.076 ( -3.729 -3.071 -2.092) 5.264 28.797 ( 1.815 3.523 1.418) 4.209 28.952 ( 1.250 -1.254 -1.807) 2.530 29.097 ( 0.358 1.195 -2.096) 2.440 29.259 ( 0.095 -5.178 -3.672) 6.349 29.539 ( -2.901 3.242 5.008) 6.634 29.649 ( -0.338 -1.518 2.644) 3.067 29.944 ( -4.957 4.293 -0.374) 6.568 30.133 ( -4.544 -3.150 -7.431) 9.263 31.244 ( -1.009 0.428 2.157) 2.419 31.292 ( -1.740 -2.473 1.210) 3.257 31.893 ( -14.505 7.667 4.439) 16.996 32.064 ( -20.037 0.698 -2.459) 20.200 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.213 -4.759 4.186) 6.342 1.717 ( -4.193 -1.531 5.494) 7.079 1.797 ( 2.792 -6.382 0.518) 6.986 1.935 ( 0.298 -4.288 2.292) 4.871 2.050 ( 5.607 -0.224 -6.994) 8.967 2.257 ( -0.007 -6.041 -4.831) 7.735 2.373 ( 4.805 1.176 -2.117) 5.381 2.482 ( -2.024 -1.143 -7.244) 7.608 2.555 ( -0.559 -0.185 8.617) 8.637 2.654 ( 0.542 0.080 3.180) 3.227 2.710 ( 1.235 -3.609 5.072) 6.347 2.808 ( -0.364 -1.465 2.538) 2.953 2.901 ( -1.284 0.500 -4.516) 4.721 3.058 ( -5.041 -4.674 -0.367) 6.885 3.138 ( -4.909 2.486 -5.311) 7.647 3.193 ( -1.495 -0.161 -8.480) 8.612 3.432 ( 2.035 3.236 2.598) 4.622 3.560 ( 2.963 0.640 5.265) 6.075 3.604 ( 4.000 -2.033 3.523) 5.705 3.674 ( -3.103 -1.623 -0.338) 3.518 3.927 ( 1.380 3.948 -1.494) 4.441 4.033 ( 2.159 -1.745 0.863) 2.907 4.114 ( -3.227 4.099 -1.146) 5.341 4.197 ( -1.837 1.766 2.259) 3.406 4.280 ( -0.028 0.972 3.295) 3.436 4.449 ( -3.493 -2.512 4.223) 6.029 4.550 ( 3.462 -0.218 -1.338) 3.718 4.656 ( 0.195 -0.759 -3.031) 3.130 4.899 ( 7.837 5.238 -0.889) 9.469 4.982 ( 8.070 3.757 -4.288) 9.881 5.144 ( 5.575 1.061 1.832) 5.964 5.214 ( 2.675 2.101 -0.211) 3.408 5.375 ( 4.101 9.201 -0.586) 10.091 5.464 ( 5.747 1.091 -1.747) 6.105 5.669 ( 7.794 -2.437 3.950) 9.071 5.753 ( 7.696 -3.187 -0.113) 8.331 5.903 ( 6.263 4.945 4.575) 9.198 6.001 ( 8.220 0.498 0.234) 8.239 6.173 ( 3.373 6.718 -2.277) 7.855 6.211 ( 7.020 4.837 -2.309) 8.832 6.423 ( 5.069 1.679 1.644) 5.587 6.490 ( 4.947 1.391 -0.876) 5.213 6.605 ( 3.365 1.599 0.770) 3.804 6.720 ( 1.350 -0.116 -4.501) 4.701 7.181 ( 13.767 1.484 5.358) 14.847 7.207 ( 12.840 1.714 4.069) 13.578 7.394 ( 10.214 3.251 3.512) 11.279 7.511 ( 13.844 1.241 0.698) 13.917 7.566 ( 18.924 3.231 -2.026) 19.304 7.685 ( 5.445 0.991 -1.738) 5.801 7.800 ( 9.929 -3.736 -5.222) 11.824 7.878 ( 5.685 -3.411 -5.412) 8.558 7.964 ( 9.603 1.609 3.201) 10.250 8.136 ( 11.006 -2.366 3.060) 11.666 8.205 ( 11.788 2.163 -1.170) 12.042 8.318 ( 7.396 1.803 -2.429) 7.991 8.446 ( 3.941 1.988 6.460) 7.824 8.617 ( -2.358 2.160 -1.682) 3.613 8.732 ( -2.125 0.635 1.991) 2.980 8.795 ( 0.465 -3.429 3.313) 4.790 8.917 ( 0.020 -4.721 -5.319) 7.112 9.012 ( -3.617 -3.379 -0.138) 4.951 9.100 ( -0.663 -1.429 0.720) 1.733 9.243 ( -0.915 -1.502 -4.361) 4.703 9.347 ( -2.813 -3.459 0.743) 4.520 9.465 ( -5.155 -9.575 -0.658) 10.895 9.600 ( -8.053 -2.610 -1.674) 8.629 9.728 ( -7.925 -6.722 -1.696) 10.530 10.116 ( 3.062 4.507 0.221) 5.453 10.208 ( 2.323 2.305 -1.879) 3.773 10.317 ( 1.079 -0.731 2.414) 2.743 10.392 ( -1.507 0.906 0.628) 1.868 11.819 ( -0.848 8.985 2.375) 9.332 11.886 ( -3.330 2.014 0.348) 3.907 12.136 ( 1.765 -8.639 0.359) 8.825 12.224 ( -0.389 -8.708 -2.336) 9.024 12.613 ( -4.427 4.623 1.589) 6.596 12.671 ( -4.315 3.982 0.927) 5.944 12.914 ( 3.309 -4.349 3.087) 6.277 13.014 ( 0.057 -7.895 3.147) 8.500 13.315 ( 4.472 3.365 -2.111) 5.981 13.395 ( 2.563 -1.092 -0.028) 2.786 13.584 ( 2.172 2.668 -2.454) 4.226 13.684 ( -0.783 -1.194 -5.436) 5.620 14.142 ( -2.309 2.404 1.323) 3.586 14.209 ( -4.795 0.893 -0.254) 4.884 14.249 ( -2.295 5.840 -2.649) 6.811 14.344 ( -5.700 2.259 -2.627) 6.671 14.801 ( 6.500 2.488 2.737) 7.478 14.845 ( 3.217 -0.203 2.591) 4.136 14.977 ( 5.861 -4.567 -0.840) 7.478 15.013 ( 3.190 -3.504 -2.752) 5.480 15.194 ( 2.723 1.821 6.260) 7.066 15.358 ( 1.009 -4.042 0.429) 4.188 15.601 ( -5.441 -2.556 -0.678) 6.049 15.688 ( -7.019 -4.349 -2.673) 8.679 16.085 ( -2.800 4.083 2.085) 5.372 16.208 ( -5.176 1.977 -3.225) 6.411 16.376 ( -8.684 -5.043 0.989) 10.091 16.394 ( -8.783 -4.404 0.593) 9.843 21.559 ( -1.398 2.993 1.703) 3.716 21.586 ( -1.672 1.499 1.626) 2.773 21.675 ( -3.102 3.031 -1.260) 4.516 21.724 ( -3.491 0.557 -2.211) 4.170 25.023 ( -0.417 3.211 1.340) 3.504 25.091 ( -0.639 2.068 -1.398) 2.576 25.121 ( -1.748 -0.613 0.710) 1.984 25.155 ( -1.213 -0.252 -0.548) 1.355 25.954 ( 9.778 -0.463 0.947) 9.835 26.007 ( 9.320 -2.550 -1.222) 9.739 26.078 ( 9.792 0.120 0.754) 9.822 26.093 ( 8.881 -1.018 -0.075) 8.940 26.933 ( 2.296 3.812 2.987) 5.360 27.032 ( 2.313 0.451 0.420) 2.394 27.222 ( -0.834 2.557 -3.301) 4.259 27.248 ( 0.879 1.116 -2.923) 3.249 27.576 ( 2.361 4.806 4.977) 7.311 27.750 ( -3.324 1.471 -0.894) 3.743 27.947 ( 2.788 -5.976 1.045) 6.677 28.057 ( 0.284 -7.350 -1.469) 7.500 28.844 ( 2.443 3.752 0.276) 4.485 28.958 ( -0.731 2.458 -1.652) 3.050 29.123 ( 2.189 -0.863 -1.801) 2.963 29.258 ( -0.610 -4.311 -3.227) 5.419 29.502 ( -0.368 4.206 5.140) 6.652 29.640 ( -1.339 1.138 0.438) 1.811 29.873 ( -0.988 -2.159 1.823) 2.993 30.045 ( -3.808 -6.108 -4.559) 8.520 31.239 ( 0.876 0.371 1.372) 1.669 31.271 ( 0.025 -1.394 0.613) 1.523 31.611 ( -11.971 4.724 2.039) 13.030 31.698 ( -14.909 0.773 -1.161) 14.974 ======================= Grid point 85 (35/60) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.312 -4.653 5.352) 7.099 1.619 ( -4.390 -6.496 5.113) 9.360 1.836 ( 1.510 -8.891 2.411) 9.335 1.882 ( -3.105 -12.257 1.074) 12.690 2.194 ( 5.837 1.885 -6.105) 8.654 2.275 ( -0.308 0.628 -3.054) 3.134 2.419 ( -1.322 0.223 -4.749) 4.934 2.440 ( -0.826 -2.122 -7.436) 7.776 2.600 ( 4.530 1.920 5.087) 7.077 2.669 ( -1.557 -0.045 4.470) 4.733 2.738 ( 5.539 4.659 3.063) 7.859 2.833 ( 2.794 1.289 -0.924) 3.213 2.875 ( -3.680 -1.334 1.304) 4.125 2.957 ( -6.498 2.737 -1.507) 7.210 3.048 ( 0.661 -3.383 -5.568) 6.548 3.125 ( -4.818 -1.604 -5.980) 7.845 3.483 ( 4.361 2.495 0.802) 5.088 3.583 ( -3.673 2.436 0.208) 4.412 3.643 ( 2.152 -4.183 1.150) 4.842 3.674 ( 0.557 -2.048 4.152) 4.664 3.941 ( 1.373 4.334 -0.454) 4.569 3.999 ( -3.614 2.904 -2.337) 5.192 4.119 ( 2.219 -2.051 4.071) 5.070 4.160 ( -1.662 0.624 3.514) 3.937 4.300 ( 1.973 -1.036 4.653) 5.159 4.363 ( -4.028 -1.984 4.991) 6.713 4.592 ( 1.409 -1.148 -3.126) 3.616 4.629 ( -2.069 -1.762 -3.405) 4.357 5.052 ( 6.869 7.527 0.771) 10.219 5.130 ( 3.985 3.592 -2.010) 5.729 5.192 ( -0.971 3.512 -0.857) 3.743 5.225 ( -0.340 4.246 -0.584) 4.299 5.439 ( 2.611 8.414 -0.250) 8.814 5.485 ( -1.920 5.668 -1.614) 6.198 5.752 ( 1.970 -3.635 4.410) 6.044 5.791 ( -1.554 -4.210 2.531) 5.152 6.057 ( 5.674 9.705 0.694) 11.263 6.108 ( 0.866 8.468 -1.336) 8.617 6.237 ( 4.195 2.088 0.641) 4.729 6.299 ( -0.163 2.485 -1.345) 2.831 6.553 ( 5.777 -2.108 2.239) 6.544 6.587 ( 3.262 -1.671 1.066) 3.817 6.694 ( 3.534 -0.121 -2.653) 4.421 6.736 ( -0.224 -1.317 -4.421) 4.618 7.383 ( 7.805 1.538 4.609) 9.194 7.413 ( 6.331 1.125 3.594) 7.366 7.500 ( 0.231 0.462 3.884) 3.918 7.575 ( -5.327 -1.300 2.538) 6.042 7.796 ( 6.531 0.977 -1.128) 6.699 7.844 ( 3.714 0.240 -2.477) 4.471 7.908 ( 4.304 -1.692 -5.543) 7.218 7.959 ( 1.590 -2.803 -5.411) 6.298 8.247 ( 11.301 4.002 3.030) 12.365 8.313 ( 5.049 2.806 2.172) 6.171 8.416 ( 5.938 1.531 0.811) 6.186 8.460 ( 1.381 2.458 4.167) 5.031 8.503 ( 4.112 0.394 -2.294) 4.725 8.583 ( -1.872 4.855 -1.351) 5.376 8.733 ( 2.488 -2.294 -0.106) 3.386 8.795 ( -2.460 -1.966 -0.796) 3.248 8.925 ( 2.099 -2.599 0.363) 3.360 8.976 ( -1.304 0.045 -1.320) 1.856 9.100 ( 2.055 -9.349 2.138) 9.808 9.186 ( -4.301 -10.010 -0.705) 10.918 9.345 ( 1.753 0.145 -1.285) 2.178 9.405 ( -3.083 -0.383 -1.022) 3.270 9.480 ( -0.055 -5.678 -2.459) 6.187 9.568 ( -6.657 -5.895 -3.178) 9.443 10.193 ( 3.700 3.248 -1.132) 5.052 10.239 ( -0.140 3.359 -2.774) 4.358 10.336 ( 0.807 -1.598 1.964) 2.657 10.361 ( -1.467 -0.060 0.997) 1.775 11.797 ( -0.509 5.961 2.613) 6.529 11.817 ( -2.500 3.800 2.281) 5.088 12.157 ( 0.889 -9.906 -2.009) 10.147 12.190 ( -2.229 -10.135 -3.011) 10.805 12.578 ( 0.656 7.651 2.846) 8.190 12.611 ( -2.153 6.292 1.807) 6.891 12.982 ( 2.577 -4.795 5.098) 7.458 13.012 ( -0.475 -6.061 5.066) 7.914 13.397 ( 3.070 2.060 -3.200) 4.890 13.429 ( 0.190 0.853 -2.610) 2.753 13.620 ( 1.515 -0.005 -3.022) 3.381 13.654 ( -1.749 -1.729 -4.129) 4.806 14.104 ( -0.742 3.672 1.564) 4.060 14.125 ( -2.785 2.320 1.289) 3.847 14.221 ( -0.202 4.755 -4.143) 6.310 14.250 ( -3.051 3.922 -3.596) 6.134 14.895 ( 2.641 -0.318 3.623) 4.495 14.907 ( 1.757 -1.040 3.630) 4.165 15.060 ( 2.027 -4.986 -2.012) 5.746 15.068 ( 1.479 -4.281 -2.267) 5.065 15.286 ( 5.819 1.395 4.639) 7.571 15.376 ( -0.676 -2.393 2.607) 3.602 15.501 ( -2.636 -0.154 -1.953) 3.285 15.548 ( -5.693 -1.281 -2.054) 6.186 16.070 ( 1.307 0.252 1.234) 1.815 16.122 ( -3.205 0.069 -0.707) 3.283 16.234 ( -3.803 -4.540 -0.064) 5.923 16.248 ( -4.654 -3.847 -0.331) 6.047 21.543 ( -0.100 2.643 1.443) 3.013 21.555 ( -1.184 2.101 1.477) 2.828 21.642 ( -0.123 1.652 -1.473) 2.216 21.664 ( -2.138 0.691 -1.855) 2.914 25.029 ( 1.050 2.782 0.984) 3.132 25.062 ( -1.895 2.152 -0.034) 2.867 25.106 ( 0.315 0.231 -0.003) 0.391 25.125 ( -1.399 0.199 -0.455) 1.485 26.125 ( 5.751 -0.418 0.812) 5.823 26.154 ( 3.631 -1.018 0.076) 3.772 26.211 ( 3.029 -1.482 -0.958) 3.505 26.218 ( 2.818 -1.317 -0.853) 3.225 26.980 ( 2.533 3.451 3.532) 5.550 27.039 ( -2.251 1.294 2.971) 3.946 27.185 ( 0.265 1.700 -3.128) 3.570 27.228 ( -2.541 -0.711 -3.396) 4.301 27.634 ( 2.401 6.949 1.837) 7.578 27.677 ( -2.372 6.639 0.427) 7.063 28.019 ( 2.842 -7.557 -0.129) 8.074 28.056 ( -0.720 -7.955 -0.991) 8.049 28.892 ( 2.137 4.215 0.045) 4.726 28.931 ( -1.647 4.216 -0.412) 4.545 29.177 ( 2.765 -2.231 -2.139) 4.146 29.229 ( -2.080 -3.280 -2.501) 4.619 29.524 ( 2.242 5.305 3.685) 6.837 29.585 ( -3.366 5.175 1.485) 6.349 29.904 ( 3.028 -8.433 0.303) 8.965 29.972 ( -3.336 -8.663 -2.203) 9.541 31.287 ( 3.669 0.807 0.545) 3.796 31.304 ( 3.381 -0.005 0.304) 3.394 31.410 ( -7.077 1.949 0.915) 7.397 31.448 ( -9.112 0.167 -0.295) 9.118 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 -9.628 6.000) 11.344 1.251 ( 0.000 9.628 6.000) 11.344 1.531 ( 0.000 -10.743 -7.924) 13.349 1.531 ( 0.000 10.743 -7.924) 13.349 2.043 ( 0.000 -6.706 1.870) 6.962 2.043 ( 0.000 6.706 1.870) 6.962 2.259 ( 0.000 -5.745 2.345) 6.206 2.259 ( 0.000 5.745 2.345) 6.206 2.407 ( 0.000 -4.947 5.634) 7.498 2.407 ( 0.000 4.947 5.634) 7.498 2.742 ( 0.000 -6.851 -0.975) 6.920 2.742 ( 0.000 6.851 -0.975) 6.920 3.088 ( 0.000 -9.006 5.106) 10.353 3.088 ( 0.000 9.006 5.106) 10.353 3.240 ( 0.000 -0.046 -0.247) 0.251 3.240 ( 0.000 0.046 -0.247) 0.251 3.402 ( 0.000 -2.513 1.444) 2.898 3.402 ( 0.000 2.513 1.444) 2.898 3.686 ( 0.000 -2.674 -3.598) 4.483 3.686 ( 0.000 2.674 -3.598) 4.483 3.939 ( 0.000 -5.656 -7.242) 9.189 3.939 ( 0.000 5.656 -7.242) 9.189 4.142 ( 0.000 -2.427 1.141) 2.682 4.142 ( 0.000 2.427 1.141) 2.682 4.329 ( 0.000 -1.771 -1.324) 2.212 4.329 ( 0.000 1.771 -1.324) 2.212 4.432 ( 0.000 -1.125 -1.581) 1.940 4.432 ( 0.000 1.125 -1.581) 1.940 4.531 ( 0.000 -4.228 6.728) 7.946 4.531 ( 0.000 4.228 6.728) 7.946 4.721 ( 0.000 -5.637 -0.473) 5.656 4.721 ( 0.000 5.637 -0.473) 5.656 4.889 ( 0.000 -4.393 1.380) 4.604 4.889 ( 0.000 4.393 1.380) 4.604 5.135 ( 0.000 -2.530 -6.336) 6.823 5.135 ( 0.000 2.530 -6.336) 6.823 5.468 ( 0.000 -5.646 -0.761) 5.697 5.468 ( 0.000 5.646 -0.761) 5.697 6.090 ( 0.000 -3.700 8.485) 9.257 6.090 ( 0.000 3.700 8.485) 9.257 6.172 ( 0.000 -1.897 0.773) 2.048 6.172 ( 0.000 1.897 0.773) 2.048 6.403 ( 0.000 -3.335 -3.309) 4.698 6.403 ( 0.000 3.335 -3.309) 4.698 6.600 ( 0.000 -2.082 -1.107) 2.358 6.600 ( 0.000 2.082 -1.107) 2.358 6.875 ( 0.000 -3.323 -0.706) 3.397 6.875 ( 0.000 3.323 -0.706) 3.397 6.965 ( 0.000 -8.642 -3.557) 9.345 6.965 ( 0.000 8.642 -3.557) 9.345 7.081 ( 0.000 -7.924 -3.625) 8.714 7.081 ( 0.000 7.924 -3.625) 8.714 7.918 ( 0.000 -7.813 8.665) 11.667 7.918 ( 0.000 7.813 8.665) 11.667 8.287 ( 0.000 -1.552 -4.086) 4.371 8.287 ( 0.000 1.552 -4.086) 4.371 8.665 ( 0.000 -7.009 -0.115) 7.010 8.665 ( 0.000 7.009 -0.115) 7.010 8.822 ( 0.000 -9.711 5.248) 11.038 8.822 ( 0.000 9.711 5.248) 11.038 9.110 ( 0.000 -7.505 0.172) 7.507 9.110 ( 0.000 7.505 0.172) 7.507 9.389 ( 0.000 -11.377 -8.671) 14.304 9.389 ( 0.000 11.377 -8.671) 14.304 9.532 ( 0.000 -10.894 -5.067) 12.015 9.532 ( 0.000 10.894 -5.067) 12.015 9.840 ( 0.000 -1.542 3.529) 3.851 9.840 ( 0.000 1.542 3.529) 3.851 9.952 ( 0.000 -5.941 6.333) 8.684 9.952 ( 0.000 5.941 6.333) 8.684 10.584 ( 0.000 -4.316 4.144) 5.983 10.584 ( 0.000 4.316 4.144) 5.983 11.754 ( 0.000 -2.448 0.724) 2.553 11.754 ( 0.000 2.448 0.724) 2.553 12.057 ( 0.000 -1.492 -1.039) 1.819 12.057 ( 0.000 1.492 -1.039) 1.819 12.806 ( 0.000 -5.027 -1.787) 5.336 12.806 ( 0.000 5.027 -1.787) 5.336 13.111 ( 0.000 -4.143 1.055) 4.275 13.111 ( 0.000 4.143 1.055) 4.275 13.381 ( 0.000 -4.711 2.299) 5.242 13.381 ( 0.000 4.711 2.299) 5.242 13.554 ( 0.000 -3.126 -4.152) 5.197 13.554 ( 0.000 3.126 -4.152) 5.197 14.109 ( 0.000 -2.989 -1.940) 3.563 14.109 ( 0.000 2.989 -1.940) 3.563 14.460 ( 0.000 -5.736 1.051) 5.831 14.460 ( 0.000 5.736 1.051) 5.831 14.630 ( 0.000 -4.690 -2.524) 5.326 14.630 ( 0.000 4.690 -2.524) 5.326 14.866 ( 0.000 -3.907 -0.344) 3.922 14.866 ( 0.000 3.907 -0.344) 3.922 15.277 ( 0.000 -7.200 5.310) 8.947 15.277 ( 0.000 7.200 5.310) 8.947 15.803 ( 0.000 -6.232 -4.758) 7.841 15.803 ( 0.000 6.232 -4.758) 7.841 16.496 ( 0.000 -5.261 -2.897) 6.006 16.496 ( 0.000 5.261 -2.897) 6.006 16.726 ( 0.000 -3.314 2.147) 3.949 16.726 ( 0.000 3.314 2.147) 3.949 21.683 ( 0.000 -0.561 2.077) 2.151 21.683 ( 0.000 0.561 2.077) 2.151 21.968 ( 0.000 -0.667 -1.266) 1.431 21.968 ( 0.000 0.667 -1.266) 1.431 24.953 ( 0.000 -0.763 0.074) 0.766 24.953 ( 0.000 0.763 0.074) 0.766 25.103 ( 0.000 -0.978 -0.482) 1.090 25.103 ( 0.000 0.978 -0.482) 1.090 25.571 ( 0.000 -1.599 0.795) 1.785 25.571 ( 0.000 1.599 0.795) 1.785 25.660 ( 0.000 -1.029 -0.495) 1.142 25.660 ( 0.000 1.029 -0.495) 1.142 26.804 ( 0.000 -2.027 0.616) 2.119 26.804 ( 0.000 2.027 0.616) 2.119 26.886 ( 0.000 -1.651 -2.724) 3.186 26.886 ( 0.000 1.651 -2.724) 3.186 27.427 ( 0.000 -5.632 8.959) 10.582 27.427 ( 0.000 5.632 8.959) 10.582 28.210 ( 0.000 -3.294 -4.745) 5.776 28.210 ( 0.000 3.294 -4.745) 5.776 28.846 ( 0.000 -3.455 5.470) 6.470 28.846 ( 0.000 3.455 5.470) 6.470 29.160 ( 0.000 -4.921 -4.456) 6.638 29.160 ( 0.000 4.921 -4.456) 6.638 29.672 ( 0.000 -1.818 3.151) 3.638 29.672 ( 0.000 1.818 3.151) 3.638 30.194 ( 0.000 -4.992 -7.235) 8.790 30.194 ( 0.000 4.992 -7.235) 8.790 31.307 ( 0.000 -1.553 2.617) 3.043 31.307 ( 0.000 1.553 2.617) 3.043 32.514 ( 0.000 -11.767 -0.524) 11.779 32.514 ( 0.000 11.767 -0.524) 11.779 ======================= Grid point 92 (37/60) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 9.433 -5.532 1.069) 10.988 1.400 ( 9.433 5.532 1.069) 10.988 1.663 ( 11.546 -12.753 -1.631) 17.280 1.663 ( 11.546 12.753 -1.631) 17.280 2.086 ( 1.999 -6.252 3.675) 7.523 2.086 ( 1.999 6.252 3.675) 7.523 2.301 ( 3.528 -1.421 -3.961) 5.492 2.301 ( 3.528 1.421 -3.961) 5.492 2.445 ( 2.978 -3.355 6.766) 8.118 2.445 ( 2.978 3.355 6.766) 8.118 2.746 ( -0.100 -5.614 0.607) 5.648 2.746 ( -0.100 5.614 0.607) 5.648 3.056 ( -1.972 -7.743 2.726) 8.443 3.056 ( -1.972 7.743 2.726) 8.443 3.243 ( 0.986 -3.450 -0.055) 3.588 3.243 ( 0.986 3.450 -0.055) 3.588 3.413 ( -1.055 -3.489 -0.696) 3.711 3.413 ( -1.055 3.489 -0.696) 3.711 3.678 ( 1.073 -5.607 0.420) 5.724 3.678 ( 1.073 5.607 0.420) 5.724 3.924 ( -0.988 -4.657 -7.574) 8.946 3.924 ( -0.988 4.657 -7.574) 8.946 4.217 ( 4.419 -4.932 3.045) 7.289 4.217 ( 4.419 4.932 3.045) 7.289 4.335 ( 0.885 -5.910 -0.328) 5.985 4.335 ( 0.885 5.910 -0.328) 5.985 4.425 ( 3.065 -4.694 -0.813) 5.664 4.425 ( 3.065 4.694 -0.813) 5.664 4.625 ( 6.850 -5.140 3.045) 9.090 4.625 ( 6.850 5.140 3.045) 9.090 4.868 ( 11.389 -4.288 -0.598) 12.184 4.868 ( 11.389 4.288 -0.598) 12.184 4.955 ( 6.225 -5.821 0.222) 8.525 4.955 ( 6.225 5.821 0.222) 8.525 5.232 ( 9.365 -2.136 -3.849) 10.348 5.232 ( 9.365 2.136 -3.849) 10.348 5.598 ( 11.064 -5.489 -2.055) 12.521 5.598 ( 11.064 5.489 -2.055) 12.521 6.062 ( -1.026 -1.978 6.277) 6.661 6.062 ( -1.026 1.978 6.277) 6.661 6.334 ( 9.726 -3.167 2.578) 10.549 6.334 ( 9.726 3.167 2.578) 10.549 6.513 ( 4.044 -5.528 -2.488) 7.287 6.513 ( 4.044 5.528 -2.488) 7.287 6.598 ( 11.114 -2.004 -1.191) 11.356 6.598 ( 11.114 2.004 -1.191) 11.356 6.925 ( 1.819 -3.450 -4.303) 5.808 6.925 ( 1.819 3.450 -4.303) 5.808 7.072 ( 10.700 -8.079 1.238) 13.465 7.072 ( 10.700 8.079 1.238) 13.465 7.209 ( 12.574 -8.939 -4.131) 15.971 7.209 ( 12.574 8.940 -4.131) 15.971 7.896 ( -1.668 -7.008 7.634) 10.497 7.896 ( -1.668 7.008 7.634) 10.497 8.245 ( -3.578 -2.912 -3.844) 6.005 8.245 ( -3.578 2.912 -3.844) 6.005 8.627 ( -2.867 -9.075 1.065) 9.577 8.627 ( -2.867 9.075 1.065) 9.577 8.808 ( -1.091 -7.100 4.363) 8.404 8.808 ( -1.091 7.100 4.363) 8.404 9.087 ( -3.398 -3.783 -1.111) 5.205 9.087 ( -3.398 3.783 -1.111) 5.205 9.351 ( -2.763 -12.131 -4.558) 13.251 9.351 ( -2.763 12.131 -4.558) 13.251 9.459 ( -5.229 -9.856 -4.711) 12.111 9.459 ( -5.229 9.856 -4.711) 12.111 9.825 ( -1.831 -2.655 2.968) 4.383 9.825 ( -1.831 2.655 2.968) 4.383 10.023 ( 5.231 -5.199 3.990) 8.385 10.023 ( 5.231 5.199 3.990) 8.385 10.520 ( -5.312 -3.619 2.332) 6.838 10.520 ( -5.312 3.619 2.332) 6.838 11.823 ( 5.793 -2.297 1.447) 6.398 11.823 ( 5.793 2.297 1.447) 6.398 12.059 ( 0.017 -3.591 -0.720) 3.662 12.059 ( 0.017 3.591 -0.720) 3.662 12.803 ( -0.569 -5.432 -0.094) 5.462 12.803 ( -0.569 5.432 -0.094) 5.462 13.073 ( -5.687 -3.799 -4.023) 7.935 13.073 ( -5.687 3.799 -4.023) 7.935 13.282 ( -4.603 -2.138 5.937) 7.811 13.282 ( -4.603 2.138 5.937) 7.811 13.559 ( 1.905 -4.583 -4.315) 6.577 13.559 ( 1.905 4.583 -4.315) 6.577 14.193 ( 4.273 -3.978 -3.104) 6.612 14.193 ( 4.273 3.978 -3.104) 6.612 14.482 ( 0.830 -7.443 2.261) 7.823 14.482 ( 0.830 7.443 2.261) 7.823 14.626 ( 1.354 -4.559 -2.413) 5.333 14.626 ( 1.354 4.559 -2.413) 5.333 14.872 ( 0.557 -3.817 -0.089) 3.858 14.872 ( 0.557 3.817 -0.089) 3.858 15.259 ( -1.389 -6.676 4.874) 8.382 15.259 ( -1.389 6.676 4.874) 8.382 15.771 ( -2.920 -5.501 -4.212) 7.518 15.771 ( -2.920 5.501 -4.212) 7.518 16.447 ( -4.514 -5.002 -2.417) 7.158 16.447 ( -4.514 5.002 -2.417) 7.158 16.665 ( -5.501 -2.667 2.025) 6.440 16.665 ( -5.501 2.667 2.025) 6.440 21.668 ( -1.303 -0.518 2.069) 2.499 21.668 ( -1.303 0.518 2.069) 2.499 21.916 ( -4.431 -0.599 -1.445) 4.699 21.916 ( -4.431 0.599 -1.445) 4.699 25.008 ( 4.375 -1.001 0.335) 4.500 25.008 ( 4.375 1.001 0.335) 4.500 25.145 ( 2.120 -1.027 -1.132) 2.613 25.145 ( 2.120 1.027 -1.132) 2.613 25.621 ( 5.785 -1.615 1.506) 6.192 25.621 ( 5.785 1.615 1.506) 6.192 25.684 ( 3.114 -1.976 -0.537) 3.727 25.684 ( 3.114 1.976 -0.537) 3.727 26.854 ( 3.818 -2.030 1.628) 4.620 26.854 ( 3.818 2.030 1.628) 4.620 26.994 ( 9.441 -0.535 -5.568) 10.973 26.994 ( 9.441 0.535 -5.568) 10.973 27.465 ( 3.650 -4.144 9.743) 11.199 27.465 ( 3.650 4.144 9.743) 11.199 28.155 ( -5.013 -2.814 -4.195) 7.116 28.155 ( -5.013 2.814 -4.195) 7.116 28.852 ( 0.717 -4.040 4.215) 5.882 28.852 ( 0.717 4.040 4.215) 5.882 29.158 ( -0.059 -4.680 -4.615) 6.573 29.158 ( -0.059 4.680 -4.615) 6.573 29.647 ( -2.106 -1.829 3.716) 4.647 29.647 ( -2.106 1.829 3.716) 4.647 30.151 ( -3.931 -5.041 -6.419) 9.059 30.151 ( -3.931 5.041 -6.419) 9.059 31.290 ( -1.442 -1.396 2.310) 3.060 31.290 ( -1.442 1.396 2.310) 3.060 32.360 ( -13.642 -9.077 -0.125) 16.386 32.360 ( -13.642 9.077 -0.125) 16.386 ======================= Grid point 94 (38/60) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 6.081 -5.371 -0.120) 8.114 1.564 ( 6.081 5.371 -0.120) 8.114 1.857 ( 3.595 -7.496 3.281) 8.938 1.857 ( 3.595 7.496 3.281) 8.938 2.068 ( -1.654 -6.819 -1.867) 7.261 2.068 ( -1.654 6.819 -1.867) 7.261 2.387 ( 3.815 -7.128 -5.169) 9.596 2.387 ( 3.815 7.128 -5.169) 9.596 2.508 ( 2.680 -3.061 6.542) 7.703 2.508 ( 2.680 3.061 6.542) 7.703 2.738 ( 0.581 -5.217 2.056) 5.638 2.738 ( 0.581 5.217 2.056) 5.638 3.038 ( -2.180 -3.744 1.757) 4.675 3.038 ( -2.180 3.744 1.757) 4.675 3.231 ( -1.611 -4.121 -5.740) 7.247 3.231 ( -1.611 4.121 -5.740) 7.247 3.422 ( 3.461 -4.624 3.302) 6.653 3.422 ( 3.461 4.624 3.302) 6.653 3.673 ( -2.723 -6.610 -0.706) 7.184 3.673 ( -2.723 6.610 -0.706) 7.184 3.935 ( 2.403 -2.774 -1.198) 3.861 3.935 ( 2.403 2.774 -1.198) 3.861 4.255 ( -1.783 -0.563 0.740) 2.011 4.255 ( -1.783 0.563 0.740) 2.011 4.358 ( 1.823 -7.044 2.046) 7.558 4.358 ( 1.823 7.044 2.046) 7.558 4.538 ( 4.837 -5.076 -1.003) 7.083 4.538 ( 4.837 5.076 -1.003) 7.083 4.791 ( 8.926 -4.303 0.301) 9.913 4.791 ( 8.925 4.303 0.301) 9.913 5.073 ( 7.363 -4.381 -1.685) 8.732 5.073 ( 7.363 4.381 -1.685) 8.732 5.203 ( 16.986 -2.220 0.501) 17.137 5.203 ( 16.986 2.220 0.501) 17.137 5.479 ( 12.142 -1.722 -1.587) 12.366 5.479 ( 12.142 1.722 -1.587) 12.366 5.820 ( 7.964 -2.819 -0.022) 8.449 5.820 ( 7.964 2.819 -0.022) 8.449 6.106 ( 6.342 -1.691 1.300) 6.691 6.106 ( 6.342 1.691 1.300) 6.691 6.417 ( 1.062 -1.647 1.218) 2.307 6.417 ( 1.062 1.647 1.218) 2.307 6.628 ( 6.020 -4.703 -1.641) 7.814 6.628 ( 6.020 4.703 -1.641) 7.814 6.923 ( 11.713 -2.637 3.405) 12.479 6.923 ( 11.713 2.637 3.405) 12.479 7.119 ( 20.997 -2.527 -3.971) 21.518 7.119 ( 20.997 2.527 -3.971) 21.518 7.363 ( 15.876 -11.159 1.700) 19.479 7.363 ( 15.876 11.159 1.700) 19.479 7.531 ( 15.842 -7.256 -5.139) 18.167 7.531 ( 15.842 7.256 -5.139) 18.167 7.887 ( 2.311 -5.415 6.425) 8.714 7.887 ( 2.311 5.415 6.425) 8.714 8.183 ( -0.778 -5.278 -3.271) 6.258 8.183 ( -0.778 5.278 -3.271) 6.258 8.573 ( -1.818 -10.270 2.324) 10.685 8.573 ( -1.818 10.270 2.324) 10.685 8.788 ( -0.778 -2.950 2.576) 3.992 8.788 ( -0.778 2.950 2.576) 3.992 8.967 ( -6.697 -4.197 -0.394) 7.913 8.967 ( -6.697 4.197 -0.394) 7.913 9.300 ( -2.668 -9.357 -2.317) 10.002 9.300 ( -2.668 9.357 -2.317) 10.002 9.348 ( -4.896 -8.029 -4.167) 10.286 9.348 ( -4.896 8.029 -4.167) 10.286 9.757 ( -4.985 -3.342 1.143) 6.109 9.757 ( -4.985 3.342 1.143) 6.109 10.123 ( 4.121 -2.622 2.758) 5.609 10.123 ( 4.121 2.622 2.758) 5.609 10.412 ( -4.086 -3.790 -0.415) 5.589 10.412 ( -4.086 3.790 -0.415) 5.589 11.941 ( 3.770 -3.426 1.912) 5.442 11.941 ( 3.770 3.426 1.912) 5.442 12.051 ( -0.332 -7.415 0.021) 7.423 12.051 ( -0.332 7.415 0.021) 7.423 12.768 ( -3.213 -4.772 1.929) 6.067 12.768 ( -3.213 4.772 1.929) 6.067 12.915 ( -5.401 -4.408 -3.508) 7.804 12.915 ( -5.401 4.408 -3.508) 7.804 13.290 ( 3.348 -2.380 3.919) 5.677 13.290 ( 3.348 2.380 3.919) 5.677 13.614 ( 2.560 -4.727 -4.810) 7.214 13.614 ( 2.560 4.727 -4.810) 7.214 14.222 ( -0.973 -4.092 -2.744) 5.022 14.222 ( -0.973 4.092 -2.744) 5.022 14.438 ( -4.017 -4.420 0.009) 5.973 14.438 ( -4.017 4.420 0.009) 5.973 14.729 ( 6.598 -3.438 0.922) 7.497 14.729 ( 6.598 3.438 0.922) 7.497 14.891 ( 1.399 -3.798 -0.062) 4.047 14.891 ( 1.399 3.798 -0.062) 4.047 15.241 ( 0.110 -5.882 3.865) 7.039 15.241 ( 0.110 5.882 3.865) 7.039 15.693 ( -4.307 -4.080 -3.191) 6.736 15.693 ( -4.307 4.080 -3.191) 6.736 16.323 ( -6.935 -5.200 -1.161) 8.746 16.323 ( -6.935 5.200 -1.161) 8.746 16.515 ( -8.454 -1.616 1.298) 8.704 16.515 ( -8.454 1.616 1.298) 8.704 21.633 ( -1.894 -0.582 2.029) 2.836 21.633 ( -1.894 0.582 2.029) 2.836 21.812 ( -5.077 -0.951 -1.796) 5.469 21.812 ( -5.077 0.951 -1.796) 5.469 25.081 ( 1.646 -1.990 1.027) 2.779 25.081 ( 1.646 1.990 1.027) 2.779 25.152 ( -0.652 -1.158 -1.470) 1.982 25.152 ( -0.652 1.158 -1.470) 1.982 25.772 ( 8.112 -1.185 0.335) 8.205 25.772 ( 8.112 1.185 0.335) 8.205 25.850 ( 11.895 -1.230 0.517) 11.970 25.850 ( 11.895 1.230 0.517) 11.970 26.938 ( 3.907 -2.797 2.177) 5.275 26.938 ( 3.907 2.797 2.177) 5.275 27.190 ( 7.282 -1.012 -7.294) 10.356 27.190 ( 7.282 1.012 -7.294) 10.356 27.572 ( 6.292 -2.959 9.619) 11.869 27.572 ( 6.292 2.959 9.619) 11.869 28.026 ( -6.436 -1.889 -3.627) 7.626 28.026 ( -6.436 1.889 -3.627) 7.626 28.881 ( 2.055 -4.730 2.286) 5.641 28.881 ( 2.055 4.730 2.286) 5.641 29.161 ( 0.302 -4.616 -4.823) 6.682 29.161 ( 0.302 4.616 -4.823) 6.682 29.602 ( -1.704 -3.046 4.584) 5.762 29.602 ( -1.704 3.046 4.584) 5.762 30.044 ( -5.912 -5.378 -4.590) 9.216 30.044 ( -5.912 5.378 -4.590) 9.216 31.259 ( -1.237 -1.120 1.619) 2.325 31.259 ( -1.237 1.120 1.619) 2.325 32.019 ( -17.477 -4.903 0.214) 18.154 32.019 ( -17.477 4.903 0.214) 18.154 ======================= Grid point 96 (39/60) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.011 -7.291 2.690) 7.771 1.628 ( 0.011 7.291 2.690) 7.771 1.785 ( -6.594 -6.221 3.711) 9.796 1.785 ( -6.594 6.221 3.711) 9.796 2.129 ( 5.890 -6.450 -8.150) 11.947 2.129 ( 5.890 6.450 -8.150) 11.947 2.443 ( 0.820 -4.758 -2.570) 5.469 2.443 ( 0.820 4.758 -2.570) 5.469 2.558 ( 3.495 -4.235 5.074) 7.477 2.558 ( 3.495 4.235 5.074) 7.477 2.789 ( 3.330 -4.020 4.806) 7.096 2.789 ( 3.330 4.020 4.806) 7.096 2.940 ( -5.189 -5.110 -1.430) 7.422 2.940 ( -5.189 5.110 -1.430) 7.422 3.182 ( -3.741 -1.995 -8.083) 9.128 3.182 ( -3.741 1.995 -8.083) 9.128 3.516 ( 2.371 -4.916 2.340) 5.938 3.516 ( 2.371 4.916 2.340) 5.938 3.622 ( 0.515 -3.861 2.820) 4.809 3.622 ( 0.515 3.861 2.820) 4.809 3.992 ( 2.263 -2.806 1.825) 4.040 3.992 ( 2.263 2.806 1.825) 4.040 4.178 ( -4.635 -2.536 -0.398) 5.298 4.178 ( -4.635 2.536 -0.398) 5.298 4.366 ( -1.135 -5.434 2.853) 6.241 4.366 ( -1.135 5.434 2.853) 6.241 4.592 ( 0.606 -4.273 -0.702) 4.373 4.592 ( 0.606 4.273 -0.702) 4.373 4.983 ( 9.178 -3.080 -1.705) 9.830 4.983 ( 9.178 3.080 -1.705) 9.830 5.194 ( 4.101 -3.481 -3.133) 6.225 5.194 ( 4.101 3.481 -3.133) 6.225 5.507 ( 9.264 -1.739 3.286) 9.983 5.507 ( 9.264 1.739 3.286) 9.983 5.648 ( 3.950 -4.226 -0.844) 5.846 5.648 ( 3.950 4.226 -0.844) 5.846 5.989 ( 10.194 -2.396 2.475) 10.761 5.989 ( 10.194 2.396 2.475) 10.761 6.252 ( 5.352 -0.651 -3.358) 6.352 6.252 ( 5.352 0.651 -3.358) 6.352 6.478 ( 4.515 -3.392 1.081) 5.750 6.478 ( 4.515 3.392 1.081) 5.750 6.669 ( 0.492 -4.666 -2.278) 5.216 6.669 ( 0.492 4.666 -2.278) 5.216 7.211 ( 13.079 -1.278 7.529) 15.145 7.211 ( 13.079 1.278 7.529) 15.145 7.482 ( 9.311 -4.375 0.771) 10.317 7.482 ( 9.311 4.375 0.771) 10.317 7.666 ( 12.503 -5.334 -3.703) 14.088 7.666 ( 12.503 5.334 -3.703) 14.088 7.783 ( 8.585 -4.543 -7.602) 12.335 7.783 ( 8.585 4.543 -7.602) 12.335 8.051 ( 12.965 -5.678 7.832) 16.176 8.051 ( 12.965 5.678 7.832) 16.176 8.270 ( 8.810 -4.335 -1.748) 9.973 8.270 ( 8.810 4.335 -1.748) 9.973 8.567 ( 1.173 -8.379 2.677) 8.874 8.567 ( 1.173 8.379 2.677) 8.874 8.766 ( -1.892 -4.591 0.076) 4.966 8.766 ( -1.892 4.591 0.076) 4.966 8.876 ( -0.725 -5.816 1.117) 5.966 8.876 ( -0.725 5.816 1.117) 5.966 9.187 ( -7.017 -6.207 -3.253) 9.917 9.187 ( -7.017 6.207 -3.253) 9.917 9.315 ( 0.971 -3.514 -2.291) 4.306 9.315 ( 0.971 3.514 -2.291) 4.306 9.619 ( -7.739 -3.946 -1.448) 8.806 9.619 ( -7.739 3.946 -1.448) 8.806 10.199 ( 3.413 -3.187 2.315) 5.212 10.199 ( 3.413 3.187 2.315) 5.212 10.358 ( -1.545 -3.715 -1.368) 4.249 10.358 ( -1.545 3.715 -1.368) 4.249 11.937 ( -2.611 -3.396 2.675) 5.050 11.937 ( -2.611 3.396 2.675) 5.050 12.060 ( -0.149 -6.143 -1.931) 6.441 12.060 ( -0.149 6.143 -1.931) 6.441 12.701 ( -1.857 -3.012 4.596) 5.800 12.701 ( -1.857 3.012 4.596) 5.800 12.886 ( 1.100 -3.719 -0.994) 4.003 12.886 ( 1.100 3.719 -0.994) 4.003 13.371 ( 3.850 -1.989 1.118) 4.475 13.371 ( 3.850 1.989 1.118) 4.475 13.642 ( -0.078 -2.952 -5.380) 6.137 13.642 ( -0.078 2.952 -5.380) 6.137 14.183 ( -2.192 -2.096 -0.470) 3.069 14.183 ( -2.192 2.096 -0.470) 3.069 14.352 ( -3.916 -2.748 -1.993) 5.182 14.352 ( -3.916 2.748 -1.993) 5.182 14.841 ( 3.900 -1.345 2.922) 5.056 14.841 ( 3.900 1.345 2.922) 5.056 14.942 ( 3.420 -2.421 -1.207) 4.360 14.942 ( 3.420 2.421 -1.207) 4.360 15.268 ( 2.377 -4.931 3.448) 6.470 15.268 ( 2.377 4.931 3.448) 6.470 15.600 ( -4.541 -3.031 -2.600) 6.048 15.600 ( -4.541 3.031 -2.600) 6.048 16.182 ( -5.993 -4.774 0.346) 7.670 16.182 ( -5.993 4.774 0.346) 7.670 16.336 ( -8.241 -1.470 0.031) 8.371 16.336 ( -8.241 1.470 0.031) 8.371 21.596 ( -1.523 -0.660 1.879) 2.507 21.596 ( -1.523 0.660 1.879) 2.507 21.719 ( -3.664 -1.275 -1.940) 4.337 21.719 ( -3.664 1.275 -1.940) 4.337 25.081 ( -0.698 -2.459 1.005) 2.746 25.081 ( -0.698 2.459 1.005) 2.746 25.138 ( -0.923 -1.494 -0.921) 1.983 25.138 ( -0.923 1.494 -0.921) 1.983 25.964 ( 9.584 -1.488 -0.257) 9.702 25.964 ( 9.584 1.488 -0.257) 9.702 26.081 ( 9.148 -0.314 0.348) 9.160 26.081 ( 9.148 0.314 0.348) 9.160 27.005 ( 2.403 -3.038 2.492) 4.606 27.005 ( 2.403 3.038 2.492) 4.606 27.254 ( -0.778 -0.820 -4.179) 4.329 27.254 ( -0.778 0.820 -4.179) 4.329 27.695 ( 4.720 -6.540 5.683) 9.866 27.695 ( 4.720 6.540 5.683) 9.866 27.933 ( -1.959 -4.594 -3.635) 6.177 27.933 ( -1.959 4.594 -3.635) 6.177 28.929 ( 2.250 -4.284 2.032) 5.248 28.929 ( 2.250 4.284 2.032) 5.248 29.167 ( 0.173 -4.526 -4.943) 6.704 29.167 ( 0.173 4.526 -4.943) 6.704 29.593 ( 0.884 -4.678 4.621) 6.635 29.593 ( 0.884 4.678 4.621) 6.635 29.922 ( -5.538 -5.738 -3.012) 8.524 29.922 ( -5.538 5.738 -3.012) 8.524 31.251 ( 0.748 -0.778 0.952) 1.439 31.251 ( 0.748 0.778 0.952) 1.439 31.682 ( -14.249 -2.404 0.158) 14.451 31.682 ( -14.249 2.404 0.158) 14.451 ======================= Grid point 98 (40/60) ======================= q-point: ( 0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -1.744 -3.908 5.486) 6.958 1.596 ( -1.744 3.908 5.486) 6.958 1.686 ( -2.321 -2.631 1.796) 3.941 1.686 ( -2.321 2.631 1.796) 3.941 2.246 ( 4.289 -3.035 -5.920) 7.915 2.246 ( 4.289 3.035 -5.920) 7.915 2.415 ( -2.457 -0.251 -4.591) 5.214 2.415 ( -2.457 0.251 -4.591) 5.213 2.645 ( 3.097 -2.256 3.019) 4.878 2.645 ( 3.097 2.256 3.019) 4.878 2.826 ( -0.521 -3.213 3.594) 4.849 2.826 ( -0.521 3.213 3.594) 4.849 2.913 ( 4.223 -5.644 -0.449) 7.063 2.913 ( 4.223 5.644 -0.449) 7.063 3.066 ( -7.062 -4.016 -5.824) 9.996 3.066 ( -7.062 4.016 -5.824) 9.996 3.556 ( 3.702 -4.539 1.615) 6.076 3.556 ( 3.702 4.539 1.615) 6.076 3.635 ( -1.998 -2.519 1.814) 3.692 3.635 ( -1.998 2.519 1.814) 3.692 4.030 ( 1.993 -4.417 1.282) 5.013 4.030 ( 1.993 4.418 1.282) 5.013 4.090 ( -3.557 -4.831 1.040) 6.089 4.090 ( -3.557 4.832 1.040) 6.089 4.340 ( -0.730 -2.077 4.620) 5.117 4.340 ( -0.730 2.077 4.620) 5.117 4.585 ( -0.597 -1.558 -2.059) 2.650 4.585 ( -0.597 1.558 -2.059) 2.650 5.152 ( 6.512 -2.297 -2.536) 7.356 5.152 ( 6.512 2.297 -2.536) 7.356 5.232 ( -0.871 -2.435 -3.261) 4.162 5.232 ( -0.871 2.435 -3.261) 4.162 5.592 ( 1.268 -3.168 4.646) 5.765 5.592 ( 1.268 3.168 4.646) 5.765 5.681 ( -0.231 -3.439 -0.514) 3.485 5.681 ( -0.231 3.439 -0.514) 3.485 6.196 ( 7.507 -2.182 1.096) 7.894 6.196 ( 7.507 2.183 1.096) 7.894 6.299 ( -0.525 -3.393 -1.728) 3.844 6.299 ( -0.525 3.393 -1.728) 3.844 6.550 ( 1.714 -1.758 2.145) 3.260 6.550 ( 1.714 1.758 2.145) 3.260 6.699 ( 1.631 -1.499 -3.300) 3.975 6.699 ( 1.631 1.499 -3.300) 3.975 7.415 ( 7.201 -1.238 5.481) 9.134 7.415 ( 7.201 1.238 5.481) 9.134 7.528 ( -2.650 -2.608 2.656) 4.570 7.528 ( -2.650 2.608 2.656) 4.570 7.828 ( 3.159 -1.918 -3.278) 4.940 7.828 ( 3.159 1.918 -3.278) 4.940 7.917 ( 3.680 -1.846 -5.569) 6.926 7.917 ( 3.680 1.846 -5.569) 6.926 8.323 ( 10.171 -2.614 4.691) 11.501 8.323 ( 10.171 2.614 4.691) 11.501 8.429 ( 2.931 -1.341 2.538) 4.102 8.429 ( 2.931 1.341 2.538) 4.102 8.621 ( 4.432 -7.624 -0.697) 8.846 8.621 ( 4.432 7.624 -0.697) 8.846 8.713 ( -3.311 -5.709 -0.399) 6.611 8.713 ( -3.311 5.709 -0.399) 6.611 8.923 ( 4.071 -3.814 -0.032) 5.579 8.923 ( 4.071 3.814 -0.032) 5.579 9.048 ( -5.871 -3.417 -1.086) 6.880 9.048 ( -5.871 3.417 -1.086) 6.880 9.363 ( 3.240 -2.349 -2.841) 4.908 9.363 ( 3.240 2.349 -2.841) 4.908 9.468 ( -5.948 -3.655 -2.582) 7.444 9.468 ( -5.948 3.655 -2.582) 7.444 10.262 ( 2.330 -2.700 1.160) 3.750 10.262 ( 2.330 2.700 1.160) 3.750 10.330 ( -1.288 -2.328 -1.082) 2.872 10.330 ( -1.288 2.328 -1.082) 2.872 11.889 ( -1.366 -1.508 2.998) 3.623 11.889 ( -1.366 1.508 2.998) 3.623 12.036 ( -1.264 -2.320 -3.453) 4.348 12.036 ( -1.264 2.320 -3.453) 4.348 12.690 ( 0.174 -1.236 8.112) 8.207 12.690 ( 0.174 1.236 8.112) 8.207 12.917 ( 1.151 -1.075 -1.538) 2.201 12.917 ( 1.151 1.075 -1.538) 2.201 13.434 ( 1.865 -1.029 0.496) 2.187 13.434 ( 1.865 1.029 0.496) 2.187 13.624 ( -1.024 -0.898 -6.049) 6.200 13.624 ( -1.024 0.898 -6.049) 6.200 14.148 ( -0.930 -0.489 1.774) 2.062 14.148 ( -0.930 0.489 1.774) 2.062 14.289 ( -1.750 -0.967 -3.922) 4.402 14.289 ( -1.750 0.967 -3.922) 4.402 14.899 ( 1.602 -0.439 3.301) 3.695 14.899 ( 1.602 0.439 3.301) 3.695 15.002 ( 1.721 -0.784 -1.584) 2.467 15.002 ( 1.721 0.784 -1.584) 2.467 15.325 ( 2.432 -2.527 3.699) 5.097 15.325 ( 2.432 2.527 3.699) 5.097 15.514 ( -3.136 -1.596 -2.471) 4.300 15.514 ( -3.136 1.596 -2.471) 4.300 16.097 ( -1.894 -2.185 1.619) 3.314 16.097 ( -1.894 2.185 1.619) 3.314 16.200 ( -4.017 -0.945 -1.357) 4.344 16.200 ( -4.017 0.945 -1.357) 4.344 21.575 ( -0.533 -0.336 1.690) 1.804 21.575 ( -0.533 0.336 1.690) 1.804 21.665 ( -1.365 -0.639 -1.878) 2.408 21.665 ( -1.365 0.639 -1.878) 2.408 25.073 ( -0.036 -1.329 0.940) 1.628 25.073 ( -0.036 1.329 0.940) 1.628 25.117 ( -0.808 -0.965 -0.635) 1.410 25.117 ( -0.808 0.965 -0.635) 1.410 26.131 ( 5.477 -0.986 0.049) 5.565 26.131 ( 5.477 0.986 0.049) 5.565 26.200 ( 2.076 -0.377 -0.686) 2.219 26.200 ( 2.076 0.377 -0.686) 2.219 27.036 ( 0.650 -1.794 3.409) 3.906 27.036 ( 0.650 1.794 3.409) 3.906 27.211 ( -1.897 -1.075 -2.759) 3.516 27.211 ( -1.897 1.075 -2.759) 3.516 27.757 ( 1.349 -2.602 3.226) 4.358 27.757 ( 1.349 2.602 3.226) 4.358 27.926 ( 0.360 -2.295 -3.612) 4.295 27.926 ( 0.360 2.295 -3.612) 4.295 28.964 ( 0.926 -1.859 3.044) 3.685 28.964 ( 0.926 1.859 3.044) 3.685 29.168 ( -0.050 -2.064 -5.331) 5.717 29.168 ( -0.050 2.064 -5.331) 5.717 29.627 ( 1.672 -3.486 4.665) 6.059 29.627 ( 1.672 3.486 4.665) 6.059 29.829 ( -2.893 -3.720 -2.743) 5.452 29.829 ( -2.893 3.720 -2.743) 5.452 31.300 ( 4.160 -0.438 0.564) 4.221 31.300 ( 4.160 0.438 0.564) 4.221 31.440 ( -8.932 -1.034 0.096) 8.992 31.440 ( -8.932 1.034 0.096) 8.992 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 0.000 -28.795) 28.795 1.151 ( 0.000 0.000 28.795) 28.795 1.268 ( 0.000 0.000 -28.433) 28.433 1.268 ( 0.000 0.000 28.433) 28.433 2.126 ( 0.000 0.000 -41.863) 41.863 2.126 ( 0.000 0.000 41.863) 41.863 2.354 ( 0.000 0.000 -4.941) 4.941 2.354 ( 0.000 0.000 4.941) 4.941 2.522 ( 0.000 0.000 -3.199) 3.199 2.522 ( 0.000 0.000 3.199) 3.199 2.943 ( 0.000 0.000 -0.440) 0.440 2.943 ( 0.000 0.000 0.440) 0.440 3.045 ( 0.000 0.000 -1.311) 1.311 3.045 ( 0.000 0.000 1.311) 1.311 3.281 ( 0.000 0.000 -10.345) 10.345 3.281 ( 0.000 0.000 10.345) 10.345 3.566 ( 0.000 0.000 -8.014) 8.014 3.566 ( 0.000 0.000 8.014) 8.014 3.576 ( 0.000 0.000 -11.121) 11.121 3.576 ( 0.000 0.000 11.121) 11.121 3.746 ( 0.000 0.000 -9.273) 9.273 3.746 ( 0.000 0.000 9.273) 9.273 3.962 ( 0.000 0.000 -6.982) 6.982 3.962 ( 0.000 0.000 6.982) 6.982 4.255 ( 0.000 0.000 -13.567) 13.567 4.255 ( 0.000 0.000 13.567) 13.567 4.385 ( 0.000 0.000 -1.542) 1.542 4.385 ( 0.000 0.000 1.542) 1.542 4.489 ( 0.000 0.000 -1.730) 1.730 4.489 ( 0.000 0.000 1.730) 1.730 4.589 ( 0.000 0.000 -0.368) 0.368 4.589 ( 0.000 0.000 0.368) 0.368 4.898 ( 0.000 0.000 -7.293) 7.293 4.898 ( 0.000 0.000 7.293) 7.293 5.209 ( 0.000 0.000 -7.225) 7.225 5.209 ( 0.000 0.000 7.225) 7.225 5.638 ( 0.000 0.000 -2.110) 2.110 5.638 ( 0.000 0.000 2.110) 2.110 5.990 ( 0.000 0.000 -4.945) 4.945 5.990 ( 0.000 0.000 4.945) 4.945 6.105 ( 0.000 0.000 -0.533) 0.533 6.105 ( 0.000 0.000 0.533) 0.533 6.408 ( 0.000 0.000 -2.330) 2.330 6.408 ( 0.000 0.000 2.330) 2.330 6.605 ( 0.000 0.000 -0.089) 0.089 6.605 ( 0.000 0.000 0.089) 0.089 6.722 ( 0.000 0.000 -1.272) 1.272 6.722 ( 0.000 0.000 1.272) 1.272 7.170 ( 0.000 0.000 -2.208) 2.208 7.170 ( 0.000 0.000 2.208) 2.208 7.314 ( 0.000 0.000 -7.638) 7.638 7.314 ( 0.000 0.000 7.638) 7.638 7.836 ( 0.000 0.000 -3.892) 3.892 7.836 ( 0.000 0.000 3.892) 3.892 7.996 ( 0.000 0.000 -17.380) 17.380 7.996 ( 0.000 0.000 17.380) 17.380 8.534 ( 0.000 0.000 -1.111) 1.111 8.534 ( 0.000 0.000 1.111) 1.111 8.827 ( 0.000 0.000 -4.743) 4.743 8.827 ( 0.000 0.000 4.743) 4.743 8.885 ( 0.000 0.000 -9.305) 9.305 8.885 ( 0.000 0.000 9.305) 9.305 9.380 ( 0.000 0.000 -3.250) 3.250 9.380 ( 0.000 0.000 3.250) 3.250 9.765 ( 0.000 0.000 -3.988) 3.988 9.765 ( 0.000 0.000 3.988) 3.988 9.921 ( 0.000 0.000 -3.808) 3.808 9.921 ( 0.000 0.000 3.808) 3.808 10.180 ( 0.000 0.000 -2.989) 2.989 10.180 ( 0.000 0.000 2.989) 2.989 10.531 ( 0.000 0.000 -10.597) 10.597 10.531 ( 0.000 0.000 10.597) 10.597 11.546 ( 0.000 0.000 -5.687) 5.687 11.546 ( 0.000 0.000 5.687) 5.687 12.181 ( 0.000 0.000 -2.383) 2.383 12.181 ( 0.000 0.000 2.383) 2.383 12.889 ( 0.000 0.000 -0.623) 0.623 12.889 ( 0.000 0.000 0.623) 0.623 13.276 ( 0.000 0.000 -4.301) 4.301 13.276 ( 0.000 0.000 4.301) 4.301 13.477 ( 0.000 0.000 -0.374) 0.374 13.477 ( 0.000 0.000 0.374) 0.374 13.546 ( 0.000 0.000 -2.117) 2.117 13.546 ( 0.000 0.000 2.117) 2.117 14.098 ( 0.000 0.000 -1.516) 1.516 14.098 ( 0.000 0.000 1.516) 1.516 14.240 ( 0.000 0.000 -3.684) 3.684 14.240 ( 0.000 0.000 3.684) 3.684 14.598 ( 0.000 0.000 -2.165) 2.165 14.598 ( 0.000 0.000 2.165) 2.165 14.941 ( 0.000 0.000 -7.771) 7.771 14.941 ( 0.000 0.000 7.771) 7.771 15.609 ( 0.000 0.000 -0.807) 0.807 15.609 ( 0.000 0.000 0.807) 0.807 15.978 ( 0.000 0.000 -9.170) 9.170 15.978 ( 0.000 0.000 9.170) 9.170 16.197 ( 0.000 0.000 -4.631) 4.631 16.197 ( 0.000 0.000 4.631) 4.631 16.907 ( 0.000 0.000 -1.530) 1.530 16.907 ( 0.000 0.000 1.530) 1.530 21.591 ( 0.000 0.000 -3.531) 3.531 21.591 ( 0.000 0.000 3.531) 3.531 21.782 ( 0.000 0.000 -2.742) 2.742 21.782 ( 0.000 0.000 2.742) 2.742 24.930 ( 0.000 0.000 -1.437) 1.437 24.930 ( 0.000 0.000 1.437) 1.437 25.113 ( 0.000 0.000 -0.747) 0.747 25.113 ( 0.000 0.000 0.747) 0.747 25.470 ( 0.000 0.000 -2.074) 2.074 25.470 ( 0.000 0.000 2.074) 2.074 25.695 ( 0.000 0.000 -1.747) 1.747 25.695 ( 0.000 0.000 1.747) 1.747 26.767 ( 0.000 0.000 -1.316) 1.316 26.767 ( 0.000 0.000 1.316) 1.316 26.883 ( 0.000 0.000 -0.186) 0.186 26.883 ( 0.000 0.000 0.186) 0.186 27.653 ( 0.000 0.000 -0.533) 0.533 27.653 ( 0.000 0.000 0.533) 0.533 28.222 ( 0.000 0.000 -8.407) 8.407 28.222 ( 0.000 0.000 8.407) 8.407 28.738 ( 0.000 0.000 -4.642) 4.642 28.738 ( 0.000 0.000 4.642) 4.642 29.256 ( 0.000 0.000 -8.437) 8.437 29.256 ( 0.000 0.000 8.437) 8.437 29.737 ( 0.000 0.000 -2.210) 2.210 29.737 ( 0.000 0.000 2.210) 2.210 29.890 ( 0.000 0.000 -2.879) 2.879 29.890 ( 0.000 0.000 2.879) 2.879 31.425 ( 0.000 0.000 -8.221) 8.221 31.425 ( 0.000 0.000 8.221) 8.221 32.472 ( 0.000 0.000 -7.487) 7.487 32.472 ( 0.000 0.000 7.487) 7.487 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 10.339 0.000 -11.657) 15.581 1.272 ( 10.339 0.000 11.657) 15.581 1.459 ( 12.408 0.000 -11.898) 17.190 1.459 ( 12.408 0.000 11.898) 17.190 2.255 ( 13.046 0.000 -26.607) 29.633 2.255 ( 13.046 0.000 26.607) 29.633 2.452 ( 3.469 0.000 -7.882) 8.611 2.452 ( 3.469 0.000 7.882) 8.611 2.548 ( 4.250 0.000 -8.688) 9.672 2.548 ( 4.250 0.000 8.688) 9.672 2.902 ( -2.500 0.000 -5.977) 6.479 2.902 ( -2.500 0.000 5.977) 6.479 3.063 ( 2.758 0.000 -6.456) 7.021 3.063 ( 2.758 0.000 6.456) 7.021 3.300 ( 0.708 0.000 -7.618) 7.650 3.300 ( 0.708 0.000 7.618) 7.650 3.486 ( -6.927 0.000 -2.070) 7.230 3.486 ( -6.927 0.000 2.070) 7.230 3.599 ( 1.196 0.000 -7.816) 7.907 3.599 ( 1.196 0.000 7.816) 7.907 3.775 ( 3.152 0.000 -3.005) 4.355 3.775 ( 3.152 0.000 3.005) 4.355 4.154 ( 11.421 0.000 -5.432) 12.646 4.154 ( 11.421 0.000 5.432) 12.646 4.283 ( 1.135 0.000 -6.308) 6.409 4.283 ( 1.135 0.000 6.308) 6.409 4.323 ( 0.415 0.000 -5.694) 5.709 4.323 ( 0.415 0.000 5.694) 5.709 4.471 ( -0.203 0.000 -3.843) 3.849 4.471 ( -0.203 0.000 3.843) 3.849 4.742 ( 11.912 0.000 -8.036) 14.369 4.742 ( 11.912 0.000 8.036) 14.369 5.065 ( 11.686 0.000 -6.598) 13.420 5.065 ( 11.686 0.000 6.598) 13.420 5.254 ( 5.718 0.000 -6.457) 8.625 5.254 ( 5.718 0.000 6.457) 8.625 5.635 ( 0.611 0.000 -2.962) 3.024 5.635 ( 0.611 0.000 2.962) 3.024 6.049 ( 3.776 0.000 -3.823) 5.373 6.049 ( 3.776 0.000 3.823) 5.373 6.212 ( 8.173 0.000 -1.914) 8.394 6.212 ( 8.173 0.000 1.914) 8.394 6.449 ( 5.660 0.000 -1.158) 5.778 6.449 ( 5.660 0.000 1.158) 5.778 6.617 ( 2.169 0.000 -3.133) 3.811 6.617 ( 2.169 0.000 3.133) 3.811 6.809 ( 8.002 0.000 -4.819) 9.341 6.809 ( 8.002 0.000 4.819) 9.341 7.151 ( 0.423 0.000 -2.281) 2.320 7.151 ( 0.423 0.000 2.281) 2.320 7.506 ( 14.922 0.000 -2.737) 15.171 7.506 ( 14.922 0.000 2.737) 15.171 7.878 ( 3.730 0.000 -6.249) 7.277 7.878 ( 3.730 0.000 6.249) 7.277 8.018 ( 2.703 0.000 -17.374) 17.583 8.018 ( 2.703 0.000 17.374) 17.583 8.422 ( -7.509 0.000 -4.177) 8.593 8.422 ( -7.509 0.000 4.177) 8.593 8.834 ( -1.711 0.000 -7.752) 7.938 8.834 ( -1.711 0.000 7.752) 7.938 8.911 ( 2.491 0.000 -3.067) 3.951 8.911 ( 2.491 0.000 3.067) 3.951 9.331 ( -3.284 0.000 -4.231) 5.356 9.331 ( -3.284 0.000 4.231) 5.356 9.762 ( -1.367 0.000 -6.377) 6.522 9.762 ( -1.367 0.000 6.377) 6.522 9.965 ( 3.488 0.000 -3.347) 4.834 9.965 ( 3.488 0.000 3.347) 4.834 10.149 ( -2.983 0.000 -4.589) 5.473 10.149 ( -2.983 0.000 4.589) 5.473 10.450 ( -6.146 0.000 -8.808) 10.740 10.450 ( -6.146 0.000 8.808) 10.740 11.617 ( 5.104 0.000 -8.619) 10.017 11.617 ( 5.104 0.000 8.619) 10.017 12.222 ( 3.667 0.000 -3.612) 5.147 12.222 ( 3.667 0.000 3.612) 5.147 12.877 ( -2.042 0.000 -1.446) 2.502 12.877 ( -2.042 0.000 1.446) 2.502 13.108 ( -10.664 0.000 -1.798) 10.814 13.108 ( -10.664 0.000 1.798) 10.814 13.414 ( -2.595 0.000 -3.790) 4.593 13.414 ( -2.595 0.000 3.790) 4.593 13.583 ( 1.166 0.000 -1.844) 2.182 13.583 ( 1.166 0.000 1.844) 2.182 14.152 ( -0.518 0.000 -2.147) 2.209 14.152 ( -0.518 0.000 2.147) 2.209 14.285 ( 6.169 0.000 -4.492) 7.631 14.285 ( 6.169 0.000 4.492) 7.631 14.593 ( -0.386 0.000 -0.722) 0.819 14.593 ( -0.386 0.000 0.722) 0.819 14.958 ( 1.851 0.000 -5.132) 5.456 14.958 ( 1.851 0.000 5.132) 5.456 15.527 ( -6.174 0.000 -6.072) 8.660 15.527 ( -6.174 0.000 6.072) 8.660 15.968 ( -1.723 0.000 -7.994) 8.178 15.968 ( -1.723 0.000 7.994) 8.178 16.134 ( -4.555 0.000 -4.517) 6.415 16.134 ( -4.555 0.000 4.517) 6.415 16.866 ( -4.286 0.000 -1.067) 4.417 16.866 ( -4.286 0.000 1.067) 4.417 21.568 ( -1.898 0.000 -2.720) 3.317 21.568 ( -1.898 0.000 2.720) 3.317 21.754 ( -2.319 0.000 -2.581) 3.470 21.754 ( -2.319 0.000 2.581) 3.470 24.998 ( 2.728 0.000 -1.394) 3.063 24.998 ( 2.728 0.000 1.394) 3.063 25.152 ( 2.835 0.000 -1.553) 3.232 25.152 ( 2.835 0.000 1.553) 3.232 25.559 ( 9.279 0.000 -2.651) 9.651 25.559 ( 9.279 0.000 2.651) 9.651 25.735 ( 4.355 0.000 -1.816) 4.718 25.735 ( 4.355 0.000 1.816) 4.718 26.798 ( 2.260 0.000 -0.848) 2.414 26.798 ( 2.260 0.000 0.848) 2.414 26.950 ( 5.841 0.000 -0.332) 5.850 26.950 ( 5.841 0.000 0.332) 5.850 27.717 ( 4.258 0.000 -0.448) 4.281 27.717 ( 4.258 0.000 0.448) 4.281 28.177 ( -3.181 0.000 -4.456) 5.475 28.177 ( -3.181 0.000 4.456) 5.475 28.743 ( 0.473 0.000 -3.915) 3.943 28.743 ( 0.473 0.000 3.915) 3.943 29.242 ( -1.046 0.000 -7.745) 7.815 29.242 ( -1.046 0.000 7.745) 7.815 29.683 ( -3.923 0.000 -2.837) 4.841 29.683 ( -3.923 0.000 2.837) 4.841 29.934 ( 3.177 0.000 -4.442) 5.461 29.934 ( 3.177 0.000 4.442) 5.461 31.402 ( -2.126 0.000 -7.517) 7.812 31.402 ( -2.126 0.000 7.517) 7.812 32.236 ( -18.631 0.000 -1.684) 18.707 32.236 ( -18.631 0.000 1.684) 18.707 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 14.741 0.000 -7.869) 16.710 1.544 ( 14.741 0.000 7.869) 16.710 1.675 ( 9.098 0.000 -4.139) 9.995 1.675 ( 9.098 0.000 4.139) 9.995 2.376 ( -2.646 0.000 -11.760) 12.054 2.376 ( -2.646 0.000 11.760) 12.054 2.457 ( -4.024 0.000 -4.314) 5.900 2.457 ( -4.024 0.000 4.314) 5.900 2.738 ( 10.821 0.000 -20.026) 22.763 2.738 ( 10.821 0.000 20.026) 22.763 2.857 ( -0.595 0.000 -1.962) 2.051 2.857 ( -0.595 0.000 1.962) 2.051 3.140 ( -3.269 0.000 -1.344) 3.535 3.140 ( -3.269 0.000 1.344) 3.535 3.257 ( -2.482 0.000 -8.581) 8.933 3.257 ( -2.482 0.000 8.581) 8.933 3.371 ( 0.118 0.000 -5.733) 5.734 3.371 ( 0.118 0.000 5.733) 5.734 3.615 ( 0.292 0.000 -5.253) 5.261 3.615 ( 0.292 0.000 5.253) 5.261 3.838 ( 2.449 0.000 -3.502) 4.274 3.838 ( 2.449 0.000 3.502) 4.274 4.245 ( -0.329 0.000 -8.153) 8.159 4.245 ( -0.329 0.000 8.153) 8.159 4.280 ( 1.145 0.000 -5.473) 5.591 4.280 ( 1.145 0.000 5.473) 5.591 4.439 ( 4.447 0.000 -3.003) 5.366 4.439 ( 4.447 0.000 3.003) 5.366 4.596 ( 11.343 0.000 -4.584) 12.235 4.596 ( 11.343 0.000 4.584) 12.235 4.943 ( 6.351 0.000 -8.235) 10.400 4.943 ( 6.351 0.000 8.235) 10.400 5.291 ( 10.651 0.000 -6.278) 12.364 5.291 ( 10.651 0.000 6.278) 12.364 5.463 ( 11.876 0.000 -3.374) 12.346 5.463 ( 11.876 0.000 3.374) 12.346 5.735 ( 9.260 0.000 -3.100) 9.765 5.735 ( 9.260 0.000 3.100) 9.765 6.072 ( -1.616 0.000 -2.836) 3.264 6.072 ( -1.616 0.000 2.836) 3.264 6.390 ( 4.901 0.000 -3.841) 6.227 6.390 ( 4.901 0.000 3.841) 6.227 6.537 ( 2.485 0.000 -3.233) 4.078 6.537 ( 2.485 0.000 3.233) 4.078 6.737 ( 14.369 0.000 -2.520) 14.588 6.737 ( 14.369 0.000 2.520) 14.588 7.137 ( 21.198 0.000 -3.566) 21.496 7.137 ( 21.198 0.000 3.566) 21.496 7.292 ( 12.697 0.000 -5.939) 14.017 7.292 ( 12.697 0.000 5.939) 14.017 7.752 ( 7.538 0.000 -3.626) 8.365 7.752 ( 7.538 0.000 3.626) 8.365 7.949 ( 1.860 0.000 -4.110) 4.511 7.949 ( 1.860 0.000 4.110) 4.511 8.144 ( 7.502 0.000 -5.707) 9.426 8.144 ( 7.502 0.000 5.707) 9.426 8.343 ( 3.285 0.000 -9.001) 9.582 8.343 ( 3.285 0.000 9.001) 9.582 8.758 ( -5.039 0.000 -1.916) 5.391 8.758 ( -5.039 0.000 1.916) 5.391 8.957 ( 1.838 0.000 -2.665) 3.237 8.957 ( 1.838 0.000 2.665) 3.237 9.282 ( -1.214 0.000 -4.417) 4.581 9.282 ( -1.214 0.000 4.417) 4.581 9.686 ( -5.725 0.000 -10.357) 11.834 9.686 ( -5.725 0.000 10.357) 11.834 10.017 ( -3.005 0.000 -7.231) 7.830 10.017 ( -3.005 0.000 7.231) 7.830 10.055 ( -2.352 0.000 -5.239) 5.743 10.055 ( -2.352 0.000 5.239) 5.743 10.359 ( -1.415 0.000 -1.658) 2.180 10.359 ( -1.415 0.000 1.658) 2.180 11.702 ( 2.720 0.000 -11.355) 11.676 11.702 ( 2.720 0.000 11.355) 11.676 12.302 ( 3.098 0.000 -3.523) 4.692 12.302 ( 3.098 0.000 3.523) 4.692 12.748 ( -8.691 0.000 -1.630) 8.843 12.748 ( -8.691 0.000 1.630) 8.843 13.035 ( 2.702 0.000 -2.511) 3.689 13.035 ( 2.702 0.000 2.511) 3.689 13.368 ( -1.797 0.000 -4.798) 5.123 13.368 ( -1.797 0.000 4.798) 5.123 13.604 ( 1.045 0.000 -4.829) 4.941 13.604 ( 1.045 0.000 4.829) 4.941 14.089 ( -4.031 0.000 -1.436) 4.280 14.089 ( -4.031 0.000 1.436) 4.280 14.357 ( -1.946 0.000 -4.571) 4.968 14.357 ( -1.946 0.000 4.571) 4.968 14.637 ( 6.262 0.000 -4.361) 7.631 14.637 ( 6.262 0.000 4.361) 7.631 15.020 ( 3.899 0.000 -2.094) 4.426 15.020 ( 3.899 0.000 2.094) 4.426 15.413 ( -4.185 0.000 -8.239) 9.241 15.413 ( -4.185 0.000 8.239) 9.241 15.868 ( -7.728 0.000 -2.685) 8.181 15.868 ( -7.728 0.000 2.685) 8.181 16.075 ( -0.839 0.000 -0.613) 1.039 16.075 ( -0.839 0.000 0.613) 1.039 16.730 ( -8.371 0.000 -0.878) 8.417 16.730 ( -8.371 0.000 0.878) 8.417 21.525 ( -1.930 0.000 -2.295) 2.998 21.525 ( -1.930 0.000 2.295) 2.998 21.699 ( -2.865 0.000 -3.330) 4.393 21.699 ( -2.865 0.000 3.330) 4.393 25.006 ( -0.989 0.000 -1.951) 2.187 25.006 ( -0.989 0.000 1.951) 2.187 25.176 ( -0.713 0.000 -0.294) 0.771 25.176 ( -0.713 0.000 0.294) 0.771 25.810 ( 12.799 0.000 -2.276) 13.000 25.810 ( 12.799 0.000 2.276) 13.000 25.885 ( 9.694 0.000 -0.413) 9.703 25.885 ( 9.694 0.000 0.413) 9.703 26.847 ( 2.430 0.000 -2.012) 3.155 26.847 ( 2.430 0.000 2.012) 3.155 27.085 ( 6.207 0.000 -1.033) 6.292 27.085 ( 6.207 0.000 1.033) 6.292 27.722 ( -4.726 0.000 -6.716) 8.212 27.722 ( -4.726 0.000 6.716) 8.212 28.159 ( 1.950 0.000 -5.314) 5.660 28.159 ( 1.950 0.000 5.314) 5.660 28.755 ( 0.598 0.000 -2.009) 2.097 28.755 ( 0.598 0.000 2.009) 2.097 29.226 ( -0.272 0.000 -6.206) 6.212 29.226 ( -0.272 0.000 6.206) 6.212 29.600 ( -3.995 0.000 -3.446) 5.275 29.600 ( -3.995 0.000 3.446) 5.275 30.006 ( 3.752 0.000 -4.665) 5.987 30.006 ( 3.752 0.000 4.665) 5.987 31.347 ( -2.870 0.000 -5.722) 6.401 31.347 ( -2.870 0.000 5.722) 6.401 31.852 ( -16.510 0.000 -7.067) 17.959 31.852 ( -16.510 0.000 7.067) 17.959 ======================= Grid point 132 (44/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 7.691 0.000 -12.021) 14.271 1.813 ( 7.691 0.000 12.021) 14.271 1.867 ( 11.248 0.000 -5.283) 12.427 1.867 ( 11.248 0.000 5.283) 12.427 2.288 ( -4.597 0.000 -11.773) 12.639 2.288 ( -4.597 0.000 11.773) 12.639 2.371 ( -2.229 0.000 -5.353) 5.799 2.371 ( -2.229 0.000 5.353) 5.799 2.769 ( -3.623 0.000 -7.078) 7.952 2.769 ( -3.623 0.000 7.078) 7.952 2.851 ( -5.137 0.000 -6.981) 8.667 2.851 ( -5.137 0.000 6.981) 8.667 2.959 ( -6.312 0.000 -2.764) 6.890 2.959 ( -6.312 0.000 2.764) 6.890 3.201 ( -5.774 0.000 -6.685) 8.833 3.201 ( -5.774 0.000 6.685) 8.833 3.462 ( 4.227 0.000 -7.402) 8.524 3.462 ( 4.227 0.000 7.402) 8.524 3.651 ( 5.012 0.000 -1.057) 5.122 3.651 ( 5.012 0.000 1.057) 5.122 3.876 ( 1.114 0.000 -2.355) 2.606 3.876 ( 1.114 0.000 2.355) 2.606 4.217 ( -2.408 0.000 -5.561) 6.060 4.217 ( -2.408 0.000 5.561) 6.060 4.314 ( 3.169 0.000 -9.977) 10.468 4.314 ( 3.169 0.000 9.977) 10.468 4.509 ( 1.608 0.000 -3.255) 3.631 4.509 ( 1.608 0.000 3.255) 3.631 4.788 ( 5.541 0.000 -3.716) 6.672 4.788 ( 5.541 0.000 3.716) 6.672 5.040 ( 3.809 0.000 -4.804) 6.131 5.040 ( 3.809 0.000 4.804) 6.131 5.489 ( 6.197 0.000 -4.527) 7.674 5.489 ( 6.197 0.000 4.527) 7.674 5.627 ( 3.650 0.000 -0.845) 3.747 5.627 ( 3.650 0.000 0.845) 3.747 5.950 ( 1.816 0.000 -2.823) 3.357 5.950 ( 1.816 0.000 2.823) 3.357 6.063 ( 10.641 0.000 -3.759) 11.285 6.063 ( 10.641 0.000 3.759) 11.285 6.470 ( 5.478 0.000 -2.943) 6.219 6.470 ( 5.478 0.000 2.943) 6.219 6.586 ( 2.749 0.000 -3.182) 4.205 6.586 ( 2.749 0.000 3.182) 4.205 7.150 ( 18.888 0.000 -0.475) 18.894 7.150 ( 18.888 0.000 0.475) 18.894 7.536 ( 13.562 0.000 -1.675) 13.665 7.536 ( 13.562 0.000 1.675) 13.665 7.560 ( 10.993 0.000 -8.890) 14.138 7.560 ( 10.993 0.000 8.890) 14.138 7.866 ( 3.927 0.000 -1.830) 4.332 7.866 ( 3.927 0.000 1.830) 4.332 8.012 ( 7.702 0.000 -1.991) 7.955 8.012 ( 7.702 0.000 1.991) 7.955 8.265 ( 6.280 0.000 -5.566) 8.391 8.265 ( 6.280 0.000 5.566) 8.391 8.528 ( 7.293 0.000 -7.125) 10.196 8.528 ( 7.293 0.000 7.125) 10.196 8.656 ( -2.059 0.000 -3.805) 4.326 8.656 ( -2.059 0.000 3.805) 4.326 8.981 ( 0.163 0.000 -3.561) 3.564 8.981 ( 0.163 0.000 3.561) 3.564 9.284 ( 1.237 0.000 -2.077) 2.417 9.284 ( 1.237 0.000 2.077) 2.417 9.554 ( -6.223 0.000 -9.645) 11.478 9.554 ( -6.223 0.000 9.645) 11.478 9.838 ( -9.060 0.000 -9.134) 12.865 9.838 ( -9.060 0.000 9.134) 12.865 10.084 ( 1.532 0.000 -2.591) 3.010 10.084 ( 1.532 0.000 2.591) 3.010 10.367 ( 1.066 0.000 -2.014) 2.279 10.367 ( 1.066 0.000 2.014) 2.279 11.737 ( 0.854 0.000 -9.571) 9.609 11.737 ( 0.854 0.000 9.571) 9.609 12.338 ( 0.766 0.000 -2.309) 2.433 12.338 ( 0.766 0.000 2.309) 2.433 12.579 ( -7.297 0.000 -1.553) 7.461 12.579 ( -7.297 0.000 1.553) 7.461 13.131 ( 5.219 0.000 -5.496) 7.579 13.131 ( 5.219 0.000 5.496) 7.579 13.341 ( -0.991 0.000 -5.923) 6.005 13.341 ( -0.991 0.000 5.923) 6.005 13.626 ( 0.879 0.000 -5.537) 5.606 13.626 ( 0.879 0.000 5.537) 5.606 14.019 ( -1.995 0.000 -2.636) 3.306 14.019 ( -1.995 0.000 2.636) 3.306 14.249 ( -6.744 0.000 -5.087) 8.447 14.249 ( -6.744 0.000 5.087) 8.447 14.812 ( 9.178 0.000 -4.466) 10.207 14.812 ( 9.178 0.000 4.466) 10.207 15.101 ( 3.290 0.000 -2.618) 4.204 15.101 ( 3.290 0.000 2.618) 4.204 15.357 ( -1.188 0.000 -7.428) 7.522 15.357 ( -1.188 0.000 7.428) 7.522 15.684 ( -9.290 0.000 -1.636) 9.433 15.684 ( -9.290 0.000 1.636) 9.433 16.078 ( 0.820 0.000 -0.786) 1.135 16.078 ( 0.820 0.000 0.786) 1.135 16.543 ( -8.953 0.000 -0.644) 8.976 16.543 ( -8.953 0.000 0.644) 8.976 21.494 ( -1.037 0.000 -2.014) 2.265 21.494 ( -1.037 0.000 2.014) 2.265 21.640 ( -2.590 0.000 -3.132) 4.064 21.640 ( -2.590 0.000 3.132) 4.064 24.985 ( -0.706 0.000 -2.371) 2.474 24.985 ( -0.706 0.000 2.371) 2.474 25.139 ( -2.309 0.000 -0.662) 2.402 25.139 ( -2.309 0.000 0.662) 2.402 26.046 ( 9.470 0.000 -0.147) 9.471 26.046 ( 9.470 0.000 0.147) 9.471 26.096 ( 9.405 0.000 -2.248) 9.670 26.096 ( 9.405 0.000 2.248) 9.670 26.902 ( 3.027 0.000 -3.557) 4.671 26.902 ( 3.027 0.000 3.557) 4.671 27.168 ( 0.787 0.000 -3.541) 3.628 27.168 ( 0.787 0.000 3.541) 3.628 27.592 ( -5.534 0.000 -5.799) 8.016 27.592 ( -5.534 0.000 5.799) 8.016 28.210 ( 2.053 0.000 -5.272) 5.658 28.210 ( 2.053 0.000 5.272) 5.658 28.766 ( 0.400 0.000 -0.475) 0.621 28.766 ( 0.400 0.000 0.475) 0.621 29.235 ( 1.097 0.000 -4.462) 4.595 29.235 ( 1.097 0.000 4.462) 4.595 29.519 ( -3.680 0.000 -3.046) 4.777 29.519 ( -3.680 0.000 3.046) 4.777 30.088 ( 3.818 0.000 -3.430) 5.133 30.088 ( 3.818 0.000 3.430) 5.133 31.295 ( -1.787 0.000 -3.451) 3.887 31.295 ( -1.787 0.000 3.451) 3.887 31.571 ( -10.595 0.000 -5.560) 11.965 31.571 ( -10.595 0.000 5.560) 11.965 ======================= Grid point 134 (45/60) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 2.162 0.000 -6.984) 7.311 1.901 ( 2.162 0.000 6.984) 7.311 2.063 ( 6.022 0.000 -4.617) 7.588 2.063 ( 6.022 0.000 4.617) 7.588 2.196 ( -4.284 0.000 -6.810) 8.045 2.196 ( -4.284 0.000 6.810) 8.045 2.356 ( -0.376 0.000 -2.583) 2.610 2.356 ( -0.376 0.000 2.583) 2.610 2.702 ( 1.504 0.000 -9.553) 9.670 2.702 ( 1.504 0.000 9.553) 9.670 2.810 ( -3.521 0.000 -3.893) 5.249 2.810 ( -3.521 0.000 3.893) 5.249 2.857 ( 0.890 0.000 -4.612) 4.697 2.857 ( 0.890 0.000 4.612) 4.697 3.025 ( -9.653 0.000 -3.454) 10.252 3.025 ( -9.653 0.000 3.454) 10.252 3.500 ( 0.560 0.000 -2.198) 2.268 3.500 ( 0.560 0.000 2.198) 2.268 3.793 ( 6.090 0.000 -1.765) 6.341 3.793 ( 6.090 0.000 1.765) 6.341 3.878 ( -1.209 0.000 -1.223) 1.720 3.878 ( -1.209 0.000 1.223) 1.720 4.172 ( -1.375 0.000 -1.614) 2.120 4.172 ( -1.375 0.000 1.614) 2.120 4.399 ( 3.773 0.000 -8.265) 9.085 4.399 ( 3.773 0.000 8.265) 9.085 4.508 ( -1.187 0.000 -4.897) 5.039 4.508 ( -1.187 0.000 4.897) 5.039 4.825 ( -0.457 0.000 -1.772) 1.830 4.825 ( -0.457 0.000 1.772) 1.830 5.110 ( 2.331 0.000 -0.793) 2.463 5.110 ( 2.331 0.000 0.793) 2.463 5.499 ( -2.060 0.000 -0.556) 2.134 5.499 ( -2.060 0.000 0.556) 2.134 5.724 ( 4.940 0.000 -3.125) 5.845 5.724 ( 4.940 0.000 3.125) 5.845 5.876 ( -4.327 0.000 -2.102) 4.810 5.876 ( -4.327 0.000 2.102) 4.810 6.327 ( 7.436 0.000 -0.854) 7.485 6.327 ( 7.436 0.000 0.854) 7.485 6.623 ( 3.834 0.000 -2.693) 4.686 6.623 ( 3.834 0.000 2.693) 4.686 6.630 ( 4.266 0.000 -2.536) 4.963 6.630 ( 4.266 0.000 2.536) 4.963 7.402 ( 6.253 0.000 -0.371) 6.264 7.402 ( 6.253 0.000 0.371) 6.264 7.552 ( -4.502 0.000 -2.264) 5.039 7.552 ( -4.502 0.000 2.264) 5.039 7.816 ( 7.912 0.000 -3.102) 8.499 7.816 ( 7.912 0.000 3.102) 8.499 7.968 ( 5.035 0.000 -2.262) 5.520 7.968 ( 5.035 0.000 2.262) 5.520 8.190 ( 3.797 0.000 -0.447) 3.823 8.190 ( 3.797 0.000 0.447) 3.823 8.402 ( 6.497 0.000 -1.270) 6.620 8.402 ( 6.497 0.000 1.270) 6.620 8.508 ( -2.215 0.000 -2.711) 3.500 8.508 ( -2.215 0.000 2.711) 3.500 8.742 ( 2.931 0.000 -2.811) 4.061 8.742 ( 2.931 0.000 2.811) 4.061 8.962 ( -1.149 0.000 -2.144) 2.432 8.962 ( -1.149 0.000 2.144) 2.432 9.313 ( 1.044 0.000 -0.599) 1.204 9.313 ( 1.044 0.000 0.599) 1.204 9.451 ( -3.050 0.000 -4.611) 5.529 9.451 ( -3.050 0.000 4.611) 5.529 9.707 ( -3.051 0.000 -3.769) 4.850 9.707 ( -3.051 0.000 3.769) 4.850 10.107 ( 0.677 0.000 -0.969) 1.182 10.107 ( 0.677 0.000 0.969) 1.182 10.381 ( 0.255 0.000 -1.197) 1.224 10.381 ( 0.255 0.000 1.197) 1.224 11.744 ( 0.028 0.000 -3.698) 3.698 11.744 ( 0.028 0.000 3.698) 3.698 12.358 ( 1.453 0.000 -2.651) 3.023 12.358 ( 1.453 0.000 2.651) 3.023 12.454 ( -4.312 0.000 -2.954) 5.227 12.454 ( -4.312 0.000 2.954) 5.227 13.219 ( 2.778 0.000 -4.591) 5.365 13.219 ( 2.778 0.000 4.591) 5.365 13.318 ( -1.137 0.000 -4.782) 4.915 13.318 ( -1.137 0.000 4.782) 4.915 13.637 ( 0.238 0.000 -2.781) 2.791 13.637 ( 0.238 0.000 2.781) 2.791 14.024 ( 2.402 0.000 -3.340) 4.114 14.024 ( 2.402 0.000 3.340) 4.114 14.114 ( -5.671 0.000 -3.723) 6.784 14.114 ( -5.671 0.000 3.723) 6.784 14.983 ( 6.224 0.000 -3.102) 6.954 14.983 ( 6.224 0.000 3.102) 6.954 15.128 ( -0.938 0.000 -3.077) 3.216 15.128 ( -0.938 0.000 3.077) 3.216 15.378 ( 3.515 0.000 -5.591) 6.605 15.378 ( 3.515 0.000 5.591) 6.605 15.504 ( -7.581 0.000 -2.859) 8.103 15.504 ( -7.581 0.000 2.859) 8.103 16.099 ( 0.903 0.000 -0.252) 0.937 16.099 ( 0.903 0.000 0.252) 0.937 16.393 ( -4.405 0.000 -0.254) 4.412 16.393 ( -4.405 0.000 0.254) 4.412 21.482 ( -0.216 0.000 -0.950) 0.975 21.482 ( -0.216 0.000 0.950) 0.975 21.599 ( -1.133 0.000 -1.410) 1.809 21.599 ( -1.133 0.000 1.410) 1.809 24.979 ( 0.042 0.000 -1.199) 1.200 24.979 ( 0.042 0.000 1.199) 1.200 25.097 ( -1.310 0.000 -0.496) 1.400 25.097 ( -1.310 0.000 0.496) 1.400 26.184 ( 3.458 0.000 -0.077) 3.459 26.184 ( 3.458 0.000 0.077) 3.459 26.243 ( 4.015 0.000 -1.204) 4.191 26.243 ( 4.015 0.000 1.204) 4.191 26.978 ( 4.171 0.000 -5.082) 6.574 26.978 ( 4.171 0.000 5.082) 6.574 27.111 ( -4.920 0.000 -5.940) 7.713 27.111 ( -4.920 0.000 5.940) 7.713 27.533 ( -0.681 0.000 -1.475) 1.625 27.533 ( -0.681 0.000 1.475) 1.625 28.236 ( 0.503 0.000 -1.816) 1.884 28.236 ( 0.503 0.000 1.816) 1.884 28.771 ( 0.128 0.000 -0.237) 0.269 28.771 ( 0.128 0.000 0.237) 0.269 29.262 ( 1.075 0.000 -1.978) 2.251 29.262 ( 1.075 0.000 1.978) 2.251 29.456 ( -1.928 0.000 -1.526) 2.459 29.456 ( -1.928 0.000 1.526) 2.459 30.149 ( 1.712 0.000 -1.274) 2.134 30.149 ( 1.712 0.000 1.274) 2.134 31.279 ( 0.094 0.000 -1.156) 1.159 31.279 ( 0.094 0.000 1.156) 1.159 31.412 ( -4.387 0.000 -2.219) 4.916 31.412 ( -4.387 0.000 2.219) 4.916 ======================= Grid point 144 (46/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 5.807 -21.451) 22.223 1.223 ( 0.000 5.807 21.451) 22.223 1.306 ( 0.000 3.528 -25.619) 25.861 1.306 ( 0.000 3.528 25.619) 25.861 2.187 ( 0.000 -1.888 -12.929) 13.066 2.187 ( 0.000 -1.888 12.929) 13.066 2.365 ( 0.000 3.966 -22.035) 22.389 2.365 ( 0.000 3.966 22.035) 22.389 2.522 ( 0.000 3.301 -7.571) 8.259 2.522 ( 0.000 3.301 7.571) 8.259 2.782 ( 0.000 -6.928 -13.672) 15.327 2.782 ( 0.000 -6.928 13.672) 15.327 3.114 ( 0.000 -9.528 -1.592) 9.661 3.114 ( 0.000 -9.528 1.592) 9.661 3.239 ( 0.000 6.273 -7.478) 9.761 3.239 ( 0.000 6.273 7.478) 9.761 3.522 ( 0.000 -9.672 -7.965) 12.530 3.522 ( 0.000 -9.672 7.965) 12.530 3.564 ( 0.000 1.062 -8.684) 8.749 3.564 ( 0.000 1.062 8.684) 8.749 3.783 ( 0.000 8.577 -7.233) 11.220 3.783 ( 0.000 8.577 7.233) 11.220 4.030 ( 0.000 6.004 -2.306) 6.432 4.030 ( 0.000 6.004 2.306) 6.432 4.252 ( 0.000 -7.217 -3.184) 7.888 4.252 ( 0.000 -7.217 3.184) 7.888 4.419 ( 0.000 7.520 -7.142) 10.371 4.419 ( 0.000 7.520 7.142) 10.371 4.511 ( 0.000 3.270 -4.905) 5.895 4.511 ( 0.000 3.270 4.905) 5.895 4.607 ( 0.000 0.578 -4.055) 4.096 4.607 ( 0.000 0.578 4.055) 4.096 4.921 ( 0.000 1.417 -9.660) 9.764 4.921 ( 0.000 1.417 9.660) 9.764 5.183 ( 0.000 -2.549 -5.073) 5.678 5.183 ( 0.000 -2.549 5.073) 5.678 5.587 ( 0.000 -4.605 -4.568) 6.486 5.587 ( 0.000 -4.605 4.568) 6.486 6.029 ( 0.000 2.890 -4.296) 5.178 6.029 ( 0.000 2.890 4.296) 5.178 6.145 ( 0.000 4.099 -3.537) 5.414 6.145 ( 0.000 4.099 3.537) 5.414 6.426 ( 0.000 1.987 -4.264) 4.705 6.426 ( 0.000 1.987 4.264) 4.705 6.608 ( 0.000 -0.942 -4.327) 4.429 6.608 ( 0.000 -0.942 4.327) 4.429 6.723 ( 0.000 -3.105 -7.938) 8.524 6.723 ( 0.000 -3.105 7.938) 8.524 6.945 ( 0.000 -10.383 -6.215) 12.100 6.945 ( 0.000 -10.383 6.215) 12.100 7.242 ( 0.000 -3.299 -0.964) 3.437 7.242 ( 0.000 -3.299 0.964) 3.437 7.886 ( 0.000 4.016 -13.326) 13.918 7.886 ( 0.000 4.016 13.326) 13.918 8.137 ( 0.000 7.531 -9.874) 12.418 8.137 ( 0.000 7.531 9.874) 12.418 8.632 ( 0.000 7.782 -6.786) 10.325 8.632 ( 0.000 7.782 6.786) 10.325 8.840 ( 0.000 0.859 -2.244) 2.402 8.840 ( 0.000 0.859 2.244) 2.402 8.922 ( 0.000 1.553 -9.544) 9.669 8.922 ( 0.000 1.553 9.544) 9.669 9.319 ( 0.000 -4.062 -3.092) 5.105 9.319 ( 0.000 -4.062 3.092) 5.105 9.786 ( 0.000 -0.837 -3.044) 3.157 9.786 ( 0.000 -0.837 3.044) 3.157 9.870 ( 0.000 -3.872 -3.983) 5.555 9.870 ( 0.000 -3.872 3.983) 5.555 10.187 ( 0.000 -1.047 -2.658) 2.856 10.187 ( 0.000 -1.047 2.658) 2.856 10.541 ( 0.000 2.312 -11.737) 11.963 10.541 ( 0.000 2.312 11.737) 11.963 11.597 ( 0.000 4.789 -4.180) 6.357 11.597 ( 0.000 4.789 4.180) 6.357 12.159 ( 0.000 -2.257 -1.765) 2.865 12.159 ( 0.000 -2.257 1.765) 2.865 12.830 ( 0.000 -4.874 -2.905) 5.675 12.830 ( 0.000 -4.874 2.905) 5.675 13.254 ( 0.000 -2.151 -2.758) 3.498 13.254 ( 0.000 -2.151 2.758) 3.498 13.400 ( 0.000 -3.812 -1.537) 4.110 13.400 ( 0.000 -3.812 1.537) 4.110 13.580 ( 0.000 0.181 -1.288) 1.300 13.580 ( 0.000 0.181 1.288) 1.300 14.120 ( 0.000 0.536 -1.848) 1.924 14.120 ( 0.000 0.536 1.848) 1.924 14.258 ( 0.000 3.181 -2.019) 3.768 14.258 ( 0.000 3.181 2.019) 3.768 14.613 ( 0.000 2.067 -1.382) 2.487 14.613 ( 0.000 2.067 1.382) 2.487 14.905 ( 0.000 -3.267 -7.146) 7.858 14.905 ( 0.000 -3.267 7.146) 7.858 15.454 ( 0.000 -9.076 -8.098) 12.164 15.454 ( 0.000 -9.076 8.098) 12.164 16.072 ( 0.000 -6.532 -4.289) 7.814 16.072 ( 0.000 -6.532 4.289) 7.814 16.188 ( 0.000 9.460 -5.400) 10.893 16.188 ( 0.000 9.460 5.400) 10.893 16.863 ( 0.000 -3.672 -2.365) 4.368 16.863 ( 0.000 -3.672 2.365) 4.368 21.633 ( 0.000 3.248 -2.551) 4.130 21.633 ( 0.000 3.248 2.551) 4.130 21.828 ( 0.000 4.203 -2.229) 4.757 21.828 ( 0.000 4.203 2.229) 4.757 24.936 ( 0.000 0.555 -1.284) 1.399 24.936 ( 0.000 0.555 1.284) 1.399 25.108 ( 0.000 -0.437 -1.474) 1.538 25.108 ( 0.000 -0.437 1.474) 1.538 25.498 ( 0.000 2.475 -2.311) 3.387 25.498 ( 0.000 2.475 2.311) 3.387 25.690 ( 0.000 -0.564 -1.546) 1.646 25.690 ( 0.000 -0.564 1.546) 1.646 26.775 ( 0.000 0.838 -1.584) 1.792 26.775 ( 0.000 0.838 1.584) 1.792 26.878 ( 0.000 -0.500 -0.225) 0.548 26.878 ( 0.000 -0.500 0.225) 0.548 27.611 ( 0.000 -3.315 -5.169) 6.141 27.611 ( 0.000 -3.315 5.169) 6.141 28.195 ( 0.000 -2.039 -7.691) 7.957 28.195 ( 0.000 -2.039 7.691) 7.957 28.781 ( 0.000 3.793 -5.313) 6.528 28.781 ( 0.000 3.793 5.313) 6.528 29.237 ( 0.000 -2.537 -8.533) 8.902 29.237 ( 0.000 -2.537 8.533) 8.902 29.705 ( 0.000 -1.077 -4.247) 4.382 29.705 ( 0.000 -1.077 4.247) 4.382 29.982 ( 0.000 6.206 -3.076) 6.926 29.982 ( 0.000 6.206 3.076) 6.926 31.383 ( 0.000 -3.049 -5.911) 6.651 31.383 ( 0.000 -3.049 5.911) 6.651 32.497 ( 0.000 1.594 -16.081) 16.160 32.497 ( 0.000 1.594 16.081) 16.160 ======================= Grid point 146 (47/60) ======================= q-point: ( 0.11 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 9.034 4.141 -14.155) 17.295 1.326 ( 9.034 4.141 14.155) 17.295 1.525 ( 14.277 5.890 -17.613) 23.426 1.525 ( 14.277 5.890 17.613) 23.426 2.253 ( 5.472 -6.566 -11.792) 14.564 2.253 ( 5.472 -6.566 11.792) 14.564 2.395 ( 3.314 0.203 -11.398) 11.872 2.395 ( 3.314 0.203 11.398) 11.872 2.598 ( 5.191 3.756 -9.936) 11.823 2.598 ( 5.191 3.756 9.936) 11.823 2.830 ( 3.368 -2.462 -9.734) 10.591 2.830 ( 3.368 -2.462 9.734) 10.591 3.105 ( -0.721 -8.460 -4.242) 9.492 3.105 ( -0.721 -8.460 4.242) 9.492 3.207 ( -1.407 2.573 -6.731) 7.342 3.207 ( -1.407 2.573 6.731) 7.342 3.421 ( -6.323 -5.242 -3.693) 9.006 3.421 ( -6.323 -5.242 3.693) 9.006 3.612 ( 3.394 1.009 -8.935) 9.611 3.612 ( 3.394 1.009 8.935) 9.611 3.868 ( 2.878 6.987 -7.387) 10.568 3.868 ( 2.878 6.987 7.387) 10.568 4.093 ( 4.229 -3.640 -4.182) 6.973 4.093 ( 4.229 -3.640 4.182) 6.973 4.247 ( 2.574 0.063 -3.300) 4.186 4.247 ( 2.574 0.063 3.300) 4.186 4.454 ( 4.594 5.289 -5.742) 9.058 4.454 ( 4.594 5.289 5.742) 9.058 4.527 ( 0.578 5.456 -3.355) 6.431 4.527 ( 0.578 5.456 3.355) 6.431 4.749 ( 11.999 1.414 -4.467) 12.881 4.749 ( 11.999 1.414 4.467) 12.881 5.057 ( 9.864 -1.179 -8.378) 12.995 5.057 ( 9.864 -1.179 8.378) 12.995 5.247 ( 7.224 -0.894 -3.732) 8.180 5.247 ( 7.224 -0.894 3.732) 8.180 5.628 ( 4.199 -1.150 -5.036) 6.657 5.628 ( 4.199 -1.150 5.036) 6.657 6.084 ( 2.631 2.441 -4.829) 6.017 6.084 ( 2.631 2.441 4.829) 6.017 6.224 ( 5.174 1.894 -2.526) 6.061 6.224 ( 5.174 1.894 2.526) 6.061 6.452 ( 7.210 1.341 -2.927) 7.896 6.452 ( 7.210 1.341 2.927) 7.896 6.650 ( 2.723 1.283 -1.778) 3.496 6.650 ( 2.723 1.283 1.778) 3.496 6.795 ( 6.381 -1.448 -6.332) 9.105 6.795 ( 6.381 -1.448 6.332) 9.105 7.022 ( 8.230 -7.483 -3.879) 11.780 7.022 ( 8.230 -7.483 3.879) 11.780 7.409 ( 14.911 -5.537 -2.380) 16.083 7.409 ( 14.911 -5.537 2.380) 16.083 7.871 ( -0.796 2.194 -10.933) 11.180 7.871 ( -0.796 2.194 10.933) 11.180 8.134 ( -0.420 5.154 -9.127) 10.490 8.134 ( -0.420 5.154 9.127) 10.490 8.536 ( -5.753 8.458 -7.775) 12.848 8.536 ( -5.753 8.458 7.775) 12.848 8.854 ( -0.922 1.269 -11.587) 11.693 8.854 ( -0.922 1.269 11.587) 11.693 8.944 ( 1.729 1.815 -6.025) 6.525 8.944 ( 1.729 1.815 6.025) 6.525 9.271 ( -3.205 -3.991 -3.933) 6.455 9.271 ( -3.205 -3.991 3.933) 6.455 9.760 ( -3.080 -1.791 -6.318) 7.253 9.760 ( -3.080 -1.791 6.318) 7.253 9.898 ( 2.314 -5.404 -1.291) 6.018 9.898 ( 2.314 -5.404 1.291) 6.018 10.179 ( -1.474 0.679 -3.681) 4.023 10.179 ( -1.474 0.679 3.681) 4.023 10.449 ( -6.663 1.398 -8.569) 10.944 10.449 ( -6.663 1.398 8.569) 10.944 11.664 ( 4.883 4.517 -6.360) 9.203 11.664 ( 4.883 4.517 6.360) 9.203 12.194 ( 3.181 -2.814 -3.418) 5.452 12.194 ( 3.181 -2.814 3.418) 5.452 12.838 ( 0.195 -3.371 -3.420) 4.807 12.838 ( 0.195 -3.371 3.420) 4.807 13.101 ( -11.096 -0.739 -2.028) 11.304 13.101 ( -11.096 -0.739 2.028) 11.304 13.373 ( -1.516 -2.803 -2.596) 4.110 13.373 ( -1.516 -2.803 2.596) 4.110 13.567 ( -0.116 -1.842 -3.720) 4.153 13.567 ( -0.116 -1.842 3.720) 4.153 14.221 ( -0.548 4.621 -2.857) 5.461 14.221 ( -0.548 4.621 2.857) 5.461 14.272 ( 7.030 0.037 -5.467) 8.906 14.272 ( 7.030 0.037 5.467) 8.906 14.607 ( -0.170 1.883 -0.603) 1.984 14.607 ( -0.170 1.883 0.603) 1.984 14.916 ( 1.385 -3.550 -4.714) 6.061 14.916 ( 1.385 -3.550 4.714) 6.061 15.419 ( -2.816 -7.098 -7.615) 10.784 15.419 ( -2.816 -7.098 7.615) 10.784 15.999 ( -5.893 -4.918 -4.197) 8.748 15.999 ( -5.893 -4.918 4.197) 8.748 16.167 ( -2.069 7.854 -5.083) 9.582 16.167 ( -2.069 7.854 5.083) 9.582 16.819 ( -4.435 -4.080 -1.767) 6.280 16.819 ( -4.435 -4.080 1.767) 6.280 21.612 ( -1.830 3.546 -2.144) 4.530 21.612 ( -1.830 3.546 2.144) 4.530 21.788 ( -3.155 3.332 -2.089) 5.042 21.788 ( -3.155 3.332 2.089) 5.042 25.000 ( 3.240 0.239 -1.443) 3.555 25.000 ( 3.240 0.239 1.443) 3.555 25.146 ( 2.655 -0.518 -1.632) 3.160 25.146 ( 2.655 -0.518 1.632) 3.160 25.573 ( 8.000 1.385 -1.931) 8.346 25.573 ( 8.000 1.385 1.931) 8.346 25.728 ( 4.148 -0.818 -1.696) 4.556 25.728 ( 4.148 -0.818 1.696) 4.556 26.818 ( 2.974 1.865 -1.978) 4.030 26.818 ( 2.974 1.865 1.978) 4.030 26.946 ( 6.217 -0.425 -0.626) 6.262 26.946 ( 6.217 -0.425 0.626) 6.262 27.673 ( 4.661 -3.687 -2.037) 6.282 27.673 ( 4.661 -3.687 2.037) 6.282 28.149 ( -3.672 -2.175 -5.126) 6.670 28.149 ( -3.672 -2.175 5.126) 6.670 28.781 ( 0.097 3.419 -5.126) 6.163 28.781 ( 0.097 3.419 5.126) 6.163 29.226 ( -0.773 -2.227 -7.924) 8.268 29.226 ( -0.773 -2.227 7.924) 8.268 29.672 ( -2.737 -0.170 -4.213) 5.027 29.672 ( -2.737 -0.170 4.213) 5.027 29.987 ( 0.476 3.981 -5.794) 7.046 29.987 ( 0.476 3.981 5.794) 7.046 31.363 ( -1.801 -2.835 -5.321) 6.293 31.363 ( -1.801 -2.835 5.321) 6.293 32.287 ( -17.250 3.860 -11.033) 20.837 32.287 ( -17.250 3.860 11.033) 20.837 ======================= Grid point 148 (48/60) ======================= q-point: ( 0.22 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 13.649 1.908 -7.471) 15.676 1.573 ( 13.649 1.908 7.471) 15.676 1.739 ( 7.227 5.651 -9.490) 13.199 1.739 ( 7.227 5.651 9.490) 13.199 2.308 ( -1.380 -8.075 -11.875) 14.427 2.308 ( -1.380 -8.075 11.875) 14.427 2.413 ( -2.828 -3.497 -3.005) 5.409 2.413 ( -2.828 -3.497 3.005) 5.409 2.754 ( 7.628 0.031 -14.263) 16.174 2.754 ( 7.628 0.031 14.263) 16.174 2.815 ( -3.982 -2.007 -5.076) 6.756 2.815 ( -3.982 -2.007 5.076) 6.756 3.073 ( -3.652 -6.030 -5.999) 9.257 3.073 ( -3.652 -6.030 5.999) 9.257 3.200 ( -2.040 -2.408 -5.061) 5.964 3.200 ( -2.040 -2.408 5.061) 5.964 3.373 ( 4.507 1.010 -6.001) 7.572 3.373 ( 4.507 1.010 6.001) 7.572 3.658 ( 0.645 2.415 -6.770) 7.216 3.658 ( 0.645 2.415 6.770) 7.216 3.894 ( 0.364 4.123 -8.100) 9.097 3.894 ( 0.364 4.123 8.100) 9.097 4.144 ( 2.484 -5.245 -2.600) 6.359 4.144 ( 2.484 -5.245 2.600) 6.359 4.341 ( 2.799 4.955 -8.662) 10.364 4.341 ( 2.799 4.955 8.662) 10.364 4.515 ( 2.437 3.208 -3.966) 5.653 4.515 ( 2.437 3.208 3.966) 5.653 4.657 ( 9.618 4.620 -3.290) 11.165 4.657 ( 9.618 4.620 3.290) 11.165 4.969 ( 7.928 3.561 -4.604) 9.835 4.969 ( 7.928 3.561 4.604) 9.835 5.264 ( 10.109 -2.534 -6.149) 12.100 5.264 ( 10.109 -2.534 6.149) 12.100 5.478 ( 13.074 0.594 -1.788) 13.209 5.478 ( 13.074 0.594 1.788) 13.209 5.776 ( 9.414 3.322 -1.856) 10.154 5.776 ( 9.414 3.322 1.856) 10.154 6.082 ( -1.650 0.541 -2.855) 3.342 6.082 ( -1.650 0.541 2.855) 3.342 6.351 ( 4.025 -0.937 -3.314) 5.297 6.351 ( 4.025 -0.937 3.314) 5.297 6.567 ( 3.231 1.657 -3.790) 5.249 6.567 ( 3.231 1.657 3.790) 5.249 6.785 ( 14.295 4.867 -1.762) 15.204 6.785 ( 14.295 4.867 1.762) 15.204 7.103 ( 20.388 -2.275 -3.645) 20.836 7.103 ( 20.388 -2.275 3.645) 20.836 7.283 ( 15.938 -0.667 -7.117) 17.468 7.283 ( 15.938 -0.667 7.117) 17.468 7.719 ( 10.831 -3.957 -2.912) 11.893 7.719 ( 10.831 -3.957 2.912) 11.893 7.901 ( 4.619 -1.562 -7.164) 8.665 7.901 ( 4.619 -1.562 7.164) 8.665 8.125 ( 1.015 0.275 -7.635) 7.707 8.125 ( 1.015 0.275 7.635) 7.707 8.480 ( 0.946 7.956 -10.606) 13.292 8.480 ( 0.946 7.956 10.606) 13.292 8.799 ( -3.899 3.200 -6.397) 8.147 8.799 ( -3.899 3.200 6.397) 8.147 8.963 ( 0.277 -0.227 -2.548) 2.573 8.963 ( 0.277 -0.227 2.548) 2.573 9.230 ( -0.464 -3.989 -3.148) 5.102 9.230 ( -0.464 -3.989 3.148) 5.102 9.653 ( -6.777 -3.593 -9.304) 12.058 9.653 ( -6.777 -3.593 9.304) 12.058 9.930 ( -1.344 -7.289 -5.172) 9.038 9.930 ( -1.344 -7.289 5.172) 9.038 10.089 ( -5.203 2.513 -5.657) 8.087 10.089 ( -5.203 2.513 5.657) 8.087 10.371 ( -0.418 1.040 -2.400) 2.649 10.371 ( -0.418 1.040 2.400) 2.649 11.746 ( 2.549 4.316 -8.388) 9.771 11.746 ( 2.549 4.316 8.388) 9.771 12.267 ( 3.028 -3.691 -3.768) 6.082 12.267 ( 3.028 -3.691 3.768) 6.082 12.752 ( -8.676 0.432 -2.218) 8.966 12.752 ( -8.676 0.432 2.218) 8.966 13.006 ( 3.109 -2.967 -3.415) 5.489 13.006 ( 3.109 -2.967 3.415) 5.489 13.342 ( -1.469 -1.816 -4.944) 5.468 13.342 ( -1.469 -1.816 4.944) 5.468 13.580 ( 1.224 -1.818 -5.878) 6.273 13.580 ( 1.224 -1.818 5.878) 6.273 14.159 ( -3.837 5.629 -1.672) 7.014 14.159 ( -3.837 5.629 1.672) 7.014 14.349 ( -2.053 -0.471 -4.854) 5.291 14.349 ( -2.053 -0.471 4.854) 5.291 14.663 ( 6.501 2.488 -4.236) 8.148 14.663 ( 6.501 2.488 4.236) 8.148 14.970 ( 3.671 -4.211 -1.941) 5.914 14.970 ( 3.671 -4.211 1.941) 5.914 15.364 ( -2.102 -3.900 -7.410) 8.634 15.364 ( -2.102 -3.900 7.410) 8.634 15.856 ( -7.672 -3.159 -3.529) 9.016 15.856 ( -7.672 -3.159 3.529) 9.016 16.118 ( -2.182 4.950 -4.824) 7.248 16.118 ( -2.182 4.950 4.824) 7.248 16.681 ( -8.399 -4.420 -1.124) 9.557 16.681 ( -8.399 -4.420 1.124) 9.557 21.567 ( -2.191 3.650 -2.045) 4.723 21.567 ( -2.191 3.650 2.045) 4.723 21.718 ( -3.404 1.869 -2.899) 4.846 21.718 ( -3.404 1.869 2.899) 4.846 25.022 ( -0.515 1.595 -1.959) 2.579 25.022 ( -0.515 1.595 1.959) 2.579 25.171 ( -0.394 -0.493 -0.523) 0.819 25.171 ( -0.394 -0.493 0.523) 0.819 25.797 ( 11.586 -1.085 -2.092) 11.823 25.797 ( 11.586 -1.085 2.092) 11.823 25.879 ( 10.204 -0.583 -1.221) 10.293 25.879 ( 10.204 -0.583 1.221) 10.293 26.877 ( 2.753 2.850 -2.958) 4.945 26.877 ( 2.753 2.850 2.958) 4.945 27.093 ( 6.724 0.647 -0.660) 6.787 27.093 ( 6.724 0.647 0.660) 6.787 27.711 ( -2.676 -0.937 -6.036) 6.669 27.711 ( -2.676 -0.937 6.036) 6.669 28.106 ( 0.741 -4.668 -3.190) 5.702 28.106 ( 0.741 -4.668 3.190) 5.702 28.787 ( 0.442 3.020 -4.006) 5.036 28.787 ( 0.442 3.020 4.006) 5.036 29.216 ( -0.043 -1.575 -6.686) 6.869 29.216 ( -0.043 -1.575 6.686) 6.869 29.607 ( -3.327 1.018 -4.544) 5.723 29.607 ( -3.327 1.018 4.544) 5.723 30.004 ( 1.328 -0.302 -6.601) 6.740 30.004 ( 1.328 -0.302 6.601) 6.740 31.318 ( -2.252 -2.160 -3.967) 5.047 31.318 ( -2.252 -2.160 3.967) 5.047 31.909 ( -17.197 4.692 -7.064) 19.174 31.909 ( -17.197 4.692 7.064) 19.174 ======================= Grid point 150 (49/60) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 6.323 -3.791 -4.971) 8.892 1.809 ( 6.323 -3.791 4.971) 8.892 1.888 ( 8.246 2.993 -7.315) 11.422 1.888 ( 8.246 2.993 7.315) 11.422 2.213 ( -4.990 -5.374 -12.700) 14.665 2.213 ( -4.990 -5.374 12.700) 14.665 2.380 ( -0.266 -2.458 -4.104) 4.791 2.380 ( -0.266 -2.458 4.104) 4.791 2.661 ( -6.145 -2.501 -7.288) 9.855 2.661 ( -6.145 -2.501 7.288) 9.855 2.858 ( 0.333 -1.428 -2.990) 3.331 2.858 ( 0.333 -1.428 2.990) 3.331 2.983 ( -5.604 0.664 -6.748) 8.797 2.983 ( -5.604 0.664 6.748) 8.797 3.124 ( -3.942 -5.402 -6.325) 9.205 3.124 ( -3.942 -5.402 6.325) 9.205 3.483 ( 2.945 0.996 -7.026) 7.683 3.483 ( 2.945 0.996 7.026) 7.683 3.677 ( 2.712 2.752 -4.211) 5.715 3.677 ( 2.712 2.752 4.211) 5.715 3.895 ( -0.119 1.553 -7.894) 8.046 3.895 ( -0.119 1.553 7.894) 8.046 4.190 ( 1.093 -1.963 -1.994) 3.004 4.190 ( 1.093 -1.963 1.994) 3.004 4.369 ( 1.626 4.324 -10.170) 11.170 4.369 ( 1.626 4.324 10.170) 11.170 4.562 ( 0.898 2.583 -5.703) 6.325 4.562 ( 0.898 2.583 5.703) 6.325 4.831 ( 6.652 3.542 -3.574) 8.340 4.831 ( 6.652 3.542 3.574) 8.340 5.084 ( 3.528 5.932 -3.869) 7.913 5.084 ( 3.528 5.932 3.869) 7.913 5.427 ( 3.863 -4.593 -5.224) 7.957 5.427 ( 3.863 -4.593 5.224) 7.957 5.706 ( 7.365 5.353 -2.108) 9.345 5.706 ( 7.365 5.353 2.108) 9.345 5.953 ( 2.157 0.351 -3.396) 4.039 5.953 ( 2.157 0.351 3.396) 4.039 6.082 ( 7.942 2.371 -1.381) 8.403 6.082 ( 7.942 2.371 1.381) 8.403 6.452 ( 7.250 -0.732 -2.589) 7.733 6.452 ( 7.250 -0.732 2.589) 7.733 6.614 ( 1.939 1.970 -3.493) 4.454 6.614 ( 1.939 1.970 3.493) 4.454 7.170 ( 17.214 2.297 -0.712) 17.381 7.170 ( 17.214 2.297 0.712) 17.381 7.498 ( 15.120 -1.395 -3.551) 15.594 7.498 ( 15.120 -1.395 3.551) 15.594 7.583 ( 10.975 0.467 -6.864) 12.953 7.583 ( 10.975 0.467 6.864) 12.953 7.853 ( 3.425 -1.972 -2.421) 4.635 7.853 ( 3.425 -1.972 2.421) 4.635 8.020 ( 8.999 1.244 -3.969) 9.913 8.020 ( 8.999 1.244 3.969) 9.913 8.247 ( 8.709 -0.503 -2.462) 9.064 8.247 ( 8.709 -0.503 2.462) 9.064 8.536 ( 1.758 0.953 -5.960) 6.287 8.536 ( 1.758 0.953 5.960) 6.287 8.730 ( -0.852 5.349 -3.646) 6.529 8.730 ( -0.852 5.349 3.646) 6.529 8.967 ( -0.002 -1.854 -2.483) 3.099 8.967 ( -0.002 -1.854 2.483) 3.099 9.251 ( 2.278 -3.536 -2.016) 4.664 9.251 ( 2.278 -3.536 2.016) 4.664 9.507 ( -6.563 -4.199 -8.055) 11.207 9.507 ( -6.563 -4.199 8.055) 11.207 9.783 ( -9.442 -5.954 -7.473) 13.433 9.783 ( -9.442 -5.954 7.473) 13.433 10.079 ( 2.164 1.079 -3.473) 4.233 10.079 ( 2.164 1.079 3.473) 4.233 10.381 ( 0.500 0.818 -0.676) 1.173 10.381 ( 0.500 0.818 0.676) 1.173 11.774 ( 0.323 3.616 -6.967) 7.856 11.774 ( 0.323 3.616 6.967) 7.856 12.307 ( 1.051 -4.296 -2.810) 5.240 12.307 ( 1.051 -4.296 2.810) 5.240 12.577 ( -7.344 1.235 -2.011) 7.714 12.577 ( -7.344 1.235 2.011) 7.714 13.119 ( 6.151 -2.360 -6.794) 9.463 13.119 ( 6.151 -2.360 6.794) 9.463 13.316 ( -1.090 -1.312 -7.261) 7.459 13.316 ( -1.090 -1.312 7.261) 7.459 13.608 ( 1.275 -1.217 -5.408) 5.688 13.608 ( 1.275 -1.217 5.408) 5.688 14.084 ( -2.821 5.649 -2.260) 6.706 14.084 ( -2.821 5.649 2.260) 6.706 14.246 ( -6.280 -0.060 -4.533) 7.746 14.246 ( -6.280 -0.060 4.533) 7.746 14.829 ( 8.330 1.538 -3.857) 9.308 14.829 ( 8.330 1.538 3.857) 9.308 15.052 ( 3.706 -4.282 -2.112) 6.044 15.052 ( 3.706 -4.282 2.112) 6.044 15.340 ( -0.030 -1.471 -6.825) 6.982 15.340 ( -0.030 -1.471 6.825) 6.982 15.685 ( -8.588 -0.924 -2.422) 8.970 15.685 ( -8.588 -0.924 2.422) 8.970 16.088 ( -0.527 1.449 -2.938) 3.318 16.088 ( -0.527 1.449 2.938) 3.318 16.493 ( -9.018 -4.562 -0.650) 10.127 16.493 ( -9.018 -4.562 0.650) 10.127 21.529 ( -1.372 3.219 -1.864) 3.965 21.529 ( -1.372 3.219 1.864) 3.965 21.652 ( -2.756 1.131 -2.900) 4.158 21.652 ( -2.756 1.131 2.900) 4.158 25.006 ( -0.621 2.056 -2.293) 3.142 25.006 ( -0.621 2.056 2.293) 3.142 25.142 ( -2.010 0.173 -0.739) 2.149 25.142 ( -2.010 0.173 0.739) 2.149 26.020 ( 9.614 -2.168 -2.041) 10.064 26.020 ( 9.614 -2.168 2.041) 10.064 26.096 ( 9.166 -0.168 -1.273) 9.255 26.096 ( 9.166 -0.168 1.273) 9.255 26.935 ( 2.926 3.095 -3.967) 5.821 26.935 ( 2.926 3.095 3.967) 5.821 27.181 ( 0.834 1.099 -2.545) 2.895 27.181 ( 0.834 1.099 2.545) 2.895 27.612 ( -4.486 2.144 -5.659) 7.533 27.612 ( -4.486 2.144 5.659) 7.533 28.150 ( 2.226 -5.865 -4.140) 7.517 28.150 ( 2.226 -5.865 4.140) 7.517 28.798 ( 0.521 3.213 -2.262) 3.964 28.798 ( 0.521 3.213 2.262) 3.964 29.226 ( 0.854 -1.405 -5.017) 5.279 29.226 ( 0.854 -1.405 5.017) 5.279 29.539 ( -3.033 2.217 -3.891) 5.408 29.539 ( -3.033 2.217 3.891) 5.408 30.044 ( 2.297 -4.200 -4.684) 6.697 30.044 ( 2.297 -4.200 4.684) 6.697 31.282 ( -0.930 -1.028 -2.437) 2.803 31.282 ( -0.930 -1.028 2.437) 2.803 31.605 ( -11.905 2.940 -4.586) 13.093 31.605 ( -11.905 2.940 4.586) 13.093 ======================= Grid point 152 (50/60) ======================= q-point: ( 0.44 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 2.777 -9.850 -8.912) 13.571 1.886 ( 2.777 -9.850 8.912) 13.571 1.963 ( -1.852 -3.067 -5.927) 6.925 1.963 ( -1.852 -3.067 5.927) 6.925 2.180 ( 1.099 0.937 -6.451) 6.611 2.180 ( 1.099 0.937 6.451) 6.611 2.373 ( -0.396 -1.510 -1.770) 2.360 2.373 ( -0.396 -1.510 1.770) 2.360 2.646 ( 4.514 0.340 -3.337) 5.624 2.646 ( 4.514 0.340 3.337) 5.624 2.797 ( -6.409 -0.905 -5.795) 8.688 2.797 ( -6.409 -0.905 5.795) 8.688 2.903 ( 0.349 2.086 -5.466) 5.861 2.903 ( 0.349 2.086 5.466) 5.861 3.023 ( -5.225 -0.936 -4.341) 6.857 3.023 ( -5.225 -0.936 4.341) 6.857 3.497 ( -0.227 0.588 -2.529) 2.606 3.497 ( -0.227 0.588 2.529) 2.606 3.760 ( 3.506 -2.812 -2.190) 5.000 3.760 ( 3.506 -2.812 2.190) 5.000 3.887 ( -0.691 1.250 -3.657) 3.926 3.887 ( -0.691 1.250 3.657) 3.926 4.188 ( -0.550 1.699 -0.879) 1.990 4.188 ( -0.550 1.699 0.879) 1.990 4.438 ( 4.443 0.562 -8.659) 9.748 4.438 ( 4.443 0.562 8.659) 9.748 4.532 ( -3.449 1.454 -7.851) 8.698 4.532 ( -3.449 1.454 7.851) 8.698 4.936 ( 3.327 10.497 -1.806) 11.158 4.936 ( 3.327 10.497 1.806) 11.158 5.119 ( 0.039 2.264 -2.036) 3.045 5.119 ( 0.039 2.264 2.036) 3.045 5.437 ( -1.012 -3.998 -2.730) 4.946 5.437 ( -1.012 -3.998 2.730) 4.946 5.815 ( 4.319 5.405 -3.500) 7.754 5.815 ( 4.319 5.405 3.500) 7.754 5.904 ( -3.729 4.347 -3.230) 6.575 5.904 ( -3.729 4.347 3.230) 6.575 6.290 ( 6.304 -2.957 -1.031) 7.039 6.290 ( 6.304 -2.957 1.031) 7.039 6.618 ( 5.591 -0.120 -0.984) 5.678 6.618 ( 5.591 -0.120 0.984) 5.678 6.648 ( 1.789 1.033 -1.721) 2.689 6.648 ( 1.789 1.033 1.721) 2.689 7.409 ( 6.895 1.115 -1.100) 7.070 7.409 ( 6.895 1.115 1.100) 7.070 7.571 ( -3.940 1.434 -2.930) 5.116 7.571 ( -3.940 1.434 2.930) 5.116 7.809 ( 7.580 -0.767 -2.299) 7.958 7.809 ( 7.580 -0.767 2.299) 7.958 7.932 ( 3.440 -3.503 -2.857) 5.681 7.932 ( 3.440 -3.503 2.857) 5.681 8.226 ( 6.254 3.742 -2.051) 7.571 8.226 ( 6.254 3.742 2.051) 7.571 8.407 ( 6.550 1.063 -1.083) 6.724 8.407 ( 6.550 1.063 1.083) 6.724 8.503 ( -3.009 -0.007 -2.707) 4.048 8.503 ( -3.009 -0.007 2.707) 4.048 8.768 ( 1.563 1.608 -2.415) 3.296 8.768 ( 1.563 1.608 2.415) 3.296 8.957 ( -0.545 -0.551 -1.310) 1.522 8.957 ( -0.545 -0.551 1.310) 1.522 9.311 ( 3.306 -2.718 -1.422) 4.510 9.311 ( 3.306 -2.718 1.422) 4.510 9.393 ( -4.551 -3.936 -4.021) 7.237 9.393 ( -4.551 -3.936 4.021) 7.237 9.637 ( -3.641 -6.699 -3.355) 8.330 9.637 ( -3.641 -6.699 3.355) 8.330 10.122 ( 1.426 1.938 -0.910) 2.572 10.122 ( 1.426 1.938 0.910) 2.572 10.381 ( -0.284 -0.087 -0.579) 0.650 10.381 ( -0.284 -0.087 0.579) 0.650 11.769 ( -0.388 2.473 -2.606) 3.613 11.769 ( -0.388 2.473 2.606) 3.613 12.329 ( 1.210 -6.894 -2.391) 7.397 12.329 ( 1.210 -6.894 2.391) 7.397 12.458 ( -3.707 4.859 -2.692) 6.678 12.458 ( -3.707 4.859 2.692) 6.678 13.227 ( 3.968 -2.223 -7.948) 9.158 13.227 ( 3.968 -2.223 7.948) 9.158 13.288 ( -1.826 -0.373 -8.213) 8.422 13.288 ( -1.826 -0.373 8.213) 8.422 13.628 ( 0.517 -0.862 -2.407) 2.608 13.628 ( 0.517 -0.862 2.407) 2.608 14.061 ( 0.778 3.649 -2.662) 4.583 14.061 ( 0.778 3.649 2.662) 4.583 14.126 ( -4.607 1.441 -2.915) 5.639 14.126 ( -4.607 1.441 2.915) 5.639 14.976 ( 4.914 -0.713 -2.317) 5.480 14.976 ( 4.914 -0.713 2.317) 5.480 15.097 ( 0.222 -2.968 -2.059) 3.619 15.097 ( 0.222 -2.968 2.059) 3.619 15.379 ( 4.113 0.021 -4.923) 6.415 15.379 ( 4.113 0.021 4.923) 6.415 15.512 ( -7.584 0.318 -2.492) 7.990 15.512 ( -7.584 0.318 2.492) 7.990 16.093 ( 0.595 -0.349 -0.908) 1.140 16.093 ( 0.595 -0.349 0.908) 1.140 16.341 ( -4.561 -4.810 -0.224) 6.632 16.341 ( -4.561 -4.810 0.224) 6.632 21.512 ( -0.374 2.776 -0.879) 2.936 21.512 ( -0.374 2.776 0.879) 2.936 21.610 ( -1.143 0.961 -1.325) 1.996 21.610 ( -1.143 0.961 1.325) 1.996 25.001 ( 0.046 2.096 -1.174) 2.403 25.001 ( 0.046 2.096 1.174) 2.403 25.105 ( -1.197 0.611 -0.554) 1.454 25.105 ( -1.197 0.611 0.554) 1.454 26.171 ( 4.187 -1.187 -0.853) 4.434 26.171 ( 4.187 -1.187 0.853) 4.434 26.228 ( 3.262 -1.275 -0.527) 3.542 26.228 ( 3.262 -1.275 0.527) 3.542 27.003 ( 3.513 2.414 -4.616) 6.283 27.003 ( 3.513 2.414 4.616) 6.283 27.129 ( -4.276 1.644 -4.803) 6.637 27.129 ( -4.276 1.644 4.803) 6.637 27.567 ( -0.417 3.448 -1.382) 3.738 27.567 ( -0.417 3.448 1.382) 3.738 28.179 ( 0.645 -5.598 -1.508) 5.833 28.179 ( 0.645 -5.598 1.508) 5.833 28.806 ( 0.229 3.605 -0.701) 3.680 28.806 ( 0.229 3.605 0.701) 3.680 29.244 ( 0.649 -2.038 -2.063) 2.972 29.244 ( 0.649 -2.038 2.063) 2.972 29.490 ( -1.432 3.408 -1.666) 4.054 29.490 ( -1.432 3.408 1.666) 4.054 30.085 ( 1.225 -6.305 -1.638) 6.629 30.085 ( 1.225 -6.305 1.638) 6.629 31.286 ( 1.217 0.675 -1.022) 1.727 31.286 ( 1.217 0.675 1.022) 1.727 31.419 ( -5.679 0.633 -1.993) 6.052 31.419 ( -5.679 0.633 1.993) 6.052 ======================= Grid point 162 (51/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 2.154 -11.735) 11.931 1.306 ( 0.000 2.154 11.735) 11.931 1.399 ( 0.000 5.419 -20.534) 21.237 1.399 ( 0.000 5.419 20.534) 21.237 2.079 ( 0.000 -5.390 -5.956) 8.033 2.079 ( 0.000 -5.390 5.956) 8.033 2.304 ( 0.000 -7.804 -9.336) 12.168 2.304 ( 0.000 -7.804 9.336) 12.168 2.591 ( 0.000 0.785 -6.206) 6.256 2.591 ( 0.000 0.785 6.206) 6.256 2.830 ( 0.000 -3.436 -16.155) 16.517 2.830 ( 0.000 -3.436 16.155) 16.517 2.974 ( 0.000 7.961 -15.231) 17.186 2.974 ( 0.000 7.961 15.231) 17.186 3.305 ( 0.000 -1.900 -1.538) 2.445 3.305 ( 0.000 -1.900 1.538) 2.445 3.378 ( 0.000 -0.686 -4.440) 4.493 3.378 ( 0.000 -0.686 4.440) 4.493 3.597 ( 0.000 0.956 -5.400) 5.484 3.597 ( 0.000 0.956 5.400) 5.484 3.896 ( 0.000 0.105 -4.758) 4.759 3.896 ( 0.000 0.105 4.758) 4.759 4.137 ( 0.000 3.635 -4.694) 5.937 4.137 ( 0.000 3.635 4.694) 5.937 4.198 ( 0.000 4.602 -1.863) 4.965 4.198 ( 0.000 4.602 1.863) 4.965 4.450 ( 0.000 -1.464 -2.849) 3.204 4.450 ( 0.000 -1.464 2.849) 3.204 4.597 ( 0.000 0.097 -5.863) 5.864 4.597 ( 0.000 0.097 5.863) 5.864 4.671 ( 0.000 8.148 -9.526) 12.536 4.671 ( 0.000 8.148 9.526) 12.536 4.913 ( 0.000 -2.431 -10.636) 10.910 4.913 ( 0.000 -2.431 10.636) 10.910 5.112 ( 0.000 -4.479 -1.353) 4.679 5.112 ( 0.000 -4.479 1.353) 4.679 5.498 ( 0.000 -3.534 -6.263) 7.191 5.498 ( 0.000 -3.534 6.263) 7.191 6.110 ( 0.000 5.397 -2.797) 6.079 6.110 ( 0.000 5.397 2.797) 6.079 6.207 ( 0.000 1.406 -4.502) 4.717 6.207 ( 0.000 1.406 4.502) 4.717 6.388 ( 0.000 -5.366 -7.335) 9.089 6.388 ( 0.000 -5.366 7.335) 9.089 6.600 ( 0.000 0.368 -3.051) 3.073 6.600 ( 0.000 0.368 3.051) 3.073 6.725 ( 0.000 7.625 -2.871) 8.148 6.725 ( 0.000 7.625 2.871) 8.148 6.907 ( 0.000 0.333 -3.431) 3.447 6.907 ( 0.000 0.333 3.431) 3.447 7.156 ( 0.000 -6.013 -2.858) 6.658 7.156 ( 0.000 -6.013 2.858) 6.658 7.980 ( 0.000 5.142 -11.081) 12.216 7.980 ( 0.000 5.142 11.081) 12.216 8.216 ( 0.000 0.841 -4.309) 4.390 8.216 ( 0.000 0.841 4.309) 4.390 8.710 ( 0.000 -1.831 -7.533) 7.753 8.710 ( 0.000 -1.831 7.533) 7.753 8.862 ( 0.000 1.305 -8.347) 8.448 8.862 ( 0.000 1.305 8.347) 8.448 9.011 ( 0.000 11.745 -5.810) 13.104 9.011 ( 0.000 11.745 5.810) 13.104 9.229 ( 0.000 -5.278 -6.882) 8.673 9.229 ( 0.000 -5.278 6.882) 8.673 9.704 ( 0.000 -12.727 -5.617) 13.911 9.704 ( 0.000 -12.727 5.617) 13.911 9.803 ( 0.000 3.201 -0.665) 3.270 9.803 ( 0.000 3.201 0.665) 3.270 10.116 ( 0.000 -5.537 -3.341) 6.467 10.116 ( 0.000 -5.537 3.341) 6.467 10.609 ( 0.000 2.983 -6.521) 7.171 10.609 ( 0.000 2.983 6.521) 7.171 11.703 ( 0.000 5.218 -2.398) 5.743 11.703 ( 0.000 5.218 2.398) 5.743 12.095 ( 0.000 -4.038 -1.083) 4.181 12.095 ( 0.000 -4.038 1.083) 4.181 12.771 ( 0.000 -0.168 -3.193) 3.197 12.771 ( 0.000 -0.168 3.193) 3.197 13.181 ( 0.000 -4.940 -3.183) 5.877 13.181 ( 0.000 -4.940 3.183) 5.877 13.387 ( 0.000 2.285 -4.325) 4.891 13.387 ( 0.000 2.285 4.325) 4.891 13.540 ( 0.000 -3.694 -3.072) 4.804 13.540 ( 0.000 -3.694 3.072) 4.804 14.100 ( 0.000 -1.544 -3.429) 3.760 14.100 ( 0.000 -1.544 3.429) 3.760 14.374 ( 0.000 7.489 -4.221) 8.597 14.374 ( 0.000 7.489 4.221) 8.597 14.644 ( 0.000 -1.111 -2.114) 2.388 14.644 ( 0.000 -1.111 2.114) 2.388 14.855 ( 0.000 -0.456 -4.339) 4.363 14.855 ( 0.000 -0.456 4.339) 4.363 15.347 ( 0.000 -1.860 -6.679) 6.933 15.347 ( 0.000 -1.860 6.679) 6.933 15.868 ( 0.000 -10.966 -5.989) 12.494 15.868 ( 0.000 -10.966 5.989) 12.494 16.381 ( 0.000 7.973 -4.714) 9.263 16.381 ( 0.000 7.973 4.714) 9.263 16.790 ( 0.000 -3.547 -2.393) 4.279 16.790 ( 0.000 -3.547 2.393) 4.279 21.687 ( 0.000 2.113 -1.158) 2.410 21.687 ( 0.000 2.113 1.158) 2.410 21.913 ( 0.000 3.705 -1.138) 3.876 21.913 ( 0.000 3.705 1.138) 3.876 24.948 ( 0.000 0.565 -0.799) 0.978 24.948 ( 0.000 0.565 0.799) 0.978 25.100 ( 0.000 -0.293 -1.049) 1.089 25.100 ( 0.000 -0.293 1.049) 1.089 25.550 ( 0.000 2.547 -1.695) 3.060 25.550 ( 0.000 2.547 1.695) 3.060 25.671 ( 0.000 -1.261 -1.100) 1.673 25.671 ( 0.000 -1.261 1.100) 1.673 26.797 ( 0.000 1.316 -1.910) 2.320 26.797 ( 0.000 1.316 1.910) 2.320 26.865 ( 0.000 -0.811 -1.109) 1.374 26.865 ( 0.000 -0.811 1.109) 1.374 27.557 ( 0.000 -1.904 -4.922) 5.278 27.557 ( 0.000 -1.904 4.922) 5.278 28.160 ( 0.000 -1.388 -3.518) 3.781 28.160 ( 0.000 -1.388 3.518) 3.781 28.867 ( 0.000 4.707 -4.128) 6.261 28.867 ( 0.000 4.707 4.128) 6.261 29.157 ( 0.000 -5.072 -6.998) 8.643 29.157 ( 0.000 -5.072 6.998) 8.643 29.707 ( 0.000 0.737 -2.750) 2.847 29.707 ( 0.000 0.737 2.750) 2.847 30.074 ( 0.000 2.958 -4.070) 5.032 30.074 ( 0.000 2.958 4.070) 5.032 31.343 ( 0.000 -0.907 -2.538) 2.695 31.343 ( 0.000 -0.907 2.538) 2.695 32.511 ( 0.000 -0.076 -11.965) 11.965 32.511 ( 0.000 -0.076 11.965) 11.965 ======================= Grid point 164 (52/60) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 7.380 1.468 -9.146) 11.844 1.385 ( 7.380 1.468 9.146) 11.844 1.641 ( 16.374 5.044 -17.076) 24.190 1.641 ( 16.374 5.044 17.076) 24.190 2.103 ( 1.461 -5.360 -7.025) 8.956 2.103 ( 1.461 -5.360 7.025) 8.956 2.327 ( 1.794 -6.568 -4.288) 8.046 2.327 ( 1.794 -6.568 4.288) 8.046 2.635 ( 2.218 -0.410 -5.756) 6.183 2.635 ( 2.218 -0.410 5.756) 6.183 2.834 ( -0.075 -9.860 -8.994) 13.346 2.834 ( -0.075 -9.860 8.994) 13.346 2.979 ( 1.584 9.347 -15.087) 17.818 2.979 ( 1.584 9.347 15.087) 17.818 3.273 ( -2.584 -1.937 -4.393) 5.452 3.273 ( -2.584 -1.937 4.393) 5.452 3.356 ( -0.845 2.537 -4.339) 5.096 3.356 ( -0.845 2.537 4.339) 5.096 3.646 ( 2.870 1.307 -7.305) 7.957 3.646 ( 2.870 1.307 7.305) 7.957 3.890 ( -0.191 -3.276 -4.420) 5.505 3.890 ( -0.191 -3.276 4.420) 5.505 4.129 ( 1.497 7.211 -4.522) 8.642 4.129 ( 1.497 7.211 4.522) 8.642 4.306 ( 7.770 3.819 -1.216) 8.743 4.306 ( 7.770 3.819 1.216) 8.743 4.460 ( 1.360 -3.234 -3.785) 5.160 4.460 ( 1.360 -3.234 3.785) 5.160 4.625 ( 3.099 4.146 -7.893) 9.439 4.625 ( 3.099 4.146 7.893) 9.439 4.817 ( 11.541 4.653 -3.138) 12.833 4.817 ( 11.541 4.653 3.138) 12.833 5.007 ( 7.676 -4.244 -7.870) 11.785 5.007 ( 7.676 -4.244 7.870) 11.785 5.212 ( 9.497 -2.442 -0.713) 9.832 5.212 ( 9.497 -2.442 0.713) 9.832 5.595 ( 8.852 -1.614 -6.015) 10.823 5.595 ( 8.852 -1.614 6.015) 10.823 6.122 ( -1.396 1.333 -2.954) 3.528 6.122 ( -1.396 1.333 2.954) 3.528 6.288 ( 5.810 5.171 -3.405) 8.490 6.288 ( 5.810 5.171 3.405) 8.490 6.488 ( 11.514 0.448 -4.158) 12.250 6.488 ( 11.514 0.448 4.158) 12.250 6.627 ( 5.069 -2.868 -1.489) 6.011 6.627 ( 5.069 -2.868 1.489) 6.011 6.821 ( 4.851 4.917 -2.354) 7.298 6.821 ( 4.851 4.917 2.354) 7.298 6.982 ( 10.543 2.279 -2.521) 11.077 6.982 ( 10.543 2.279 2.521) 11.077 7.297 ( 12.716 -6.993 -3.282) 14.879 7.297 ( 12.716 -6.993 3.282) 14.879 7.946 ( -2.627 4.756 -9.411) 10.866 7.946 ( -2.627 4.756 9.411) 10.866 8.183 ( -2.804 0.168 -5.547) 6.218 8.183 ( -2.804 0.168 5.547) 6.218 8.658 ( -3.785 2.165 -8.804) 9.824 8.658 ( -3.785 2.165 8.804) 9.824 8.844 ( -1.517 -0.783 -6.311) 6.538 8.844 ( -1.517 -0.783 6.311) 6.538 9.021 ( -0.148 8.445 -6.859) 10.880 9.021 ( -0.148 8.445 6.859) 10.880 9.195 ( -2.553 -4.264 -5.645) 7.521 9.195 ( -2.553 -4.264 5.645) 7.521 9.655 ( -4.420 -11.671 -6.581) 14.109 9.655 ( -4.420 -11.671 6.581) 14.109 9.814 ( 0.599 0.507 -2.422) 2.546 9.814 ( 0.599 0.507 2.422) 2.546 10.137 ( 1.344 -4.152 -3.481) 5.582 10.137 ( 1.344 -4.152 3.481) 5.582 10.512 ( -7.511 3.476 -5.010) 9.674 10.512 ( -7.511 3.476 5.010) 9.674 11.770 ( 5.108 5.643 -2.691) 8.073 11.770 ( 5.108 5.643 2.691) 8.073 12.116 ( 1.960 -4.903 -2.729) 5.944 12.116 ( 1.960 -4.903 2.729) 5.944 12.794 ( 1.840 -0.293 -4.325) 4.709 12.794 ( 1.840 -0.293 4.325) 4.709 13.067 ( -10.231 -2.890 -2.551) 10.933 13.067 ( -10.231 -2.890 2.551) 10.933 13.352 ( -1.796 0.990 -3.352) 3.929 13.352 ( -1.796 0.990 3.352) 3.929 13.517 ( 0.220 -2.902 -5.827) 6.513 13.517 ( 0.220 -2.902 5.827) 6.513 14.192 ( 4.356 -3.105 -3.951) 6.650 14.192 ( 4.356 -3.105 3.951) 6.650 14.399 ( 2.083 8.496 -5.346) 10.252 14.399 ( 2.083 8.496 5.346) 10.252 14.636 ( 0.263 -0.917 -1.823) 2.057 14.636 ( 0.263 -0.917 1.823) 2.057 14.865 ( 1.116 -0.491 -3.585) 3.787 14.865 ( 1.116 -0.491 3.585) 3.787 15.327 ( -1.552 -1.918 -6.139) 6.616 15.327 ( -1.552 -1.918 6.139) 6.616 15.830 ( -3.380 -9.698 -5.284) 11.550 15.830 ( -3.380 -9.698 5.284) 11.550 16.337 ( -3.859 7.638 -4.394) 9.620 16.337 ( -3.859 7.638 4.394) 9.620 16.735 ( -5.145 -4.065 -1.922) 6.833 16.735 ( -5.145 -4.065 1.922) 6.833 21.672 ( -1.383 2.295 -1.042) 2.875 21.672 ( -1.383 2.295 1.042) 2.875 21.861 ( -4.354 3.360 -1.074) 5.603 21.861 ( -4.354 3.360 1.074) 5.603 25.007 ( 4.205 0.444 -1.095) 4.367 25.007 ( 4.205 0.444 1.095) 4.367 25.136 ( 2.044 -0.446 -1.151) 2.388 25.136 ( 2.044 -0.446 1.151) 2.388 25.609 ( 6.346 2.164 -1.179) 6.807 25.609 ( 6.346 2.164 1.179) 6.807 25.703 ( 3.701 -1.700 -1.489) 4.337 25.703 ( 3.701 -1.700 1.489) 4.337 26.861 ( 4.214 2.325 -3.075) 5.712 26.861 ( 4.214 2.325 3.075) 5.712 26.933 ( 6.908 -0.924 -1.603) 7.152 26.933 ( 6.908 -0.924 1.603) 7.152 27.608 ( 4.423 -2.521 -3.027) 5.922 27.608 ( 4.423 -2.521 3.027) 5.922 28.112 ( -4.393 -1.470 -2.995) 5.516 28.112 ( -4.393 -1.470 2.995) 5.516 28.860 ( -0.432 4.303 -4.728) 6.408 28.860 ( -0.432 4.303 4.728) 6.408 29.153 ( -0.203 -4.735 -6.434) 7.991 29.153 ( -0.203 -4.735 6.434) 7.991 29.685 ( -1.892 1.084 -2.804) 3.552 29.685 ( -1.892 1.084 2.804) 3.552 30.049 ( -2.231 2.030 -4.793) 5.664 30.049 ( -2.231 2.030 4.793) 5.664 31.324 ( -1.647 -0.982 -2.261) 2.965 31.324 ( -1.647 -0.982 2.261) 2.965 32.344 ( -14.569 1.706 -9.045) 17.234 32.344 ( -14.569 1.706 9.045) 17.234 ======================= Grid point 166 (53/60) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 9.810 -1.486 -4.269) 10.801 1.579 ( 9.810 -1.486 4.269) 10.801 1.847 ( 3.034 5.074 -10.283) 11.862 1.847 ( 3.034 5.074 10.283) 11.862 2.142 ( 1.207 -7.271 -9.987) 12.412 2.142 ( 1.207 -7.271 9.987) 12.412 2.328 ( -1.386 -4.121 -3.830) 5.795 2.328 ( -1.386 -4.121 3.830) 5.795 2.683 ( 2.236 -4.091 -4.843) 6.722 2.683 ( 2.236 -4.091 4.843) 6.722 2.800 ( -1.115 -4.961 -6.048) 7.901 2.800 ( -1.115 -4.961 6.048) 7.901 3.009 ( -0.889 3.179 -6.437) 7.235 3.009 ( -0.889 3.179 6.437) 7.235 3.187 ( -5.756 -0.964 -3.489) 6.799 3.187 ( -5.756 -0.964 3.489) 6.799 3.418 ( 6.166 3.832 -5.094) 8.869 3.418 ( 6.166 3.832 5.094) 8.869 3.663 ( 0.027 -2.422 -8.021) 8.379 3.663 ( 0.027 -2.422 8.021) 8.379 3.935 ( 3.136 1.204 -5.334) 6.304 3.935 ( 3.136 1.204 5.334) 6.304 4.156 ( 0.555 5.451 -1.913) 5.803 4.156 ( 0.555 5.451 1.913) 5.803 4.406 ( 1.153 0.649 -6.254) 6.392 4.406 ( 1.153 0.649 6.254) 6.392 4.536 ( 4.883 -0.827 -2.924) 5.751 4.536 ( 4.883 -0.827 2.924) 5.751 4.738 ( 7.209 4.826 -4.577) 9.808 4.738 ( 7.209 4.826 4.577) 9.808 5.059 ( 9.767 2.910 -2.730) 10.551 5.059 ( 9.767 2.910 2.730) 10.551 5.205 ( 11.428 -2.295 -3.253) 12.102 5.205 ( 11.428 -2.295 3.253) 12.102 5.471 ( 14.063 -0.916 -1.417) 14.164 5.471 ( 14.063 -0.916 1.417) 14.164 5.817 ( 10.747 0.671 -3.126) 11.213 5.817 ( 10.747 0.671 3.126) 11.213 6.101 ( 0.645 1.585 -1.828) 2.504 6.101 ( 0.645 1.585 1.828) 2.504 6.386 ( 2.059 3.488 -0.405) 4.071 6.386 ( 2.059 3.488 0.405) 4.071 6.601 ( 3.656 1.487 -3.424) 5.225 6.601 ( 3.656 1.487 3.424) 5.225 6.900 ( 14.582 5.835 -3.494) 16.090 6.900 ( 14.582 5.835 3.494) 16.090 7.082 ( 22.094 -0.241 -3.860) 22.430 7.082 ( 22.094 -0.241 3.860) 22.430 7.288 ( 16.380 2.669 -7.421) 18.179 7.288 ( 16.380 2.669 7.421) 18.179 7.603 ( 13.470 -7.773 -3.158) 15.869 7.603 ( 13.470 -7.773 3.158) 15.869 7.929 ( 2.939 3.647 -7.012) 8.433 7.929 ( 2.939 3.647 7.012) 8.433 8.132 ( -0.506 -0.244 -7.003) 7.025 8.132 ( -0.506 -0.244 7.003) 7.025 8.595 ( -1.891 3.753 -8.879) 9.823 8.595 ( -1.891 3.753 8.879) 9.823 8.811 ( -1.484 -2.206 -2.384) 3.571 8.811 ( -1.484 -2.206 2.384) 3.571 8.978 ( -3.494 3.407 -10.703) 11.763 8.978 ( -3.494 3.407 10.703) 11.763 9.156 ( -0.910 -3.241 -3.970) 5.205 9.156 ( -0.910 -3.241 3.970) 5.205 9.535 ( -6.685 -9.376 -7.152) 13.556 9.535 ( -6.685 -9.376 7.152) 13.556 9.793 ( -3.828 -4.497 -5.236) 7.893 9.793 ( -3.828 -4.497 5.236) 7.893 10.141 ( -0.743 2.163 -3.328) 4.038 10.141 ( -0.743 2.163 3.328) 4.038 10.392 ( -2.619 1.028 -4.156) 5.018 10.392 ( -2.619 1.028 4.156) 5.018 11.856 ( 2.453 6.660 -2.819) 7.637 11.856 ( 2.453 6.660 2.819) 7.637 12.162 ( 1.789 -6.761 -3.551) 7.843 12.162 ( 1.789 -6.761 3.551) 7.843 12.771 ( -6.473 1.858 -3.659) 7.664 12.771 ( -6.473 1.858 3.659) 7.664 12.926 ( 1.055 -4.928 -3.925) 6.388 12.926 ( 1.055 -4.928 3.925) 6.388 13.335 ( -0.089 1.297 -4.274) 4.468 13.335 ( -0.089 1.297 4.274) 4.468 13.549 ( 2.095 -1.344 -5.450) 5.992 13.549 ( 2.095 -1.344 5.450) 5.992 14.214 ( -1.304 -0.870 -2.791) 3.201 14.214 ( -1.304 -0.870 2.791) 3.201 14.385 ( -3.930 4.388 -4.068) 7.159 14.385 ( -3.930 4.388 4.068) 7.159 14.715 ( 6.773 2.118 -3.120) 7.752 14.715 ( 6.773 2.118 3.120) 7.752 14.903 ( 2.551 -1.870 -2.523) 4.046 14.903 ( 2.551 -1.870 2.523) 4.046 15.302 ( -0.441 -1.740 -5.591) 5.872 15.302 ( -0.441 -1.740 5.591) 5.872 15.740 ( -5.056 -7.345 -4.023) 9.783 15.740 ( -5.056 -7.345 4.023) 9.783 16.238 ( -5.252 6.160 -4.205) 9.121 16.238 ( -5.252 6.160 4.205) 9.121 16.586 ( -8.732 -4.712 -1.096) 9.982 16.586 ( -8.732 -4.712 1.096) 9.982 21.635 ( -2.024 2.719 -1.147) 3.579 21.635 ( -2.024 2.719 1.147) 3.579 21.761 ( -4.733 2.190 -1.580) 5.450 21.761 ( -4.733 2.190 1.580) 5.450 25.063 ( 0.662 2.427 -1.747) 3.063 25.063 ( 0.662 2.427 1.747) 3.063 25.154 ( -0.036 -1.337 -0.893) 1.609 25.154 ( -0.036 -1.337 0.893) 1.609 25.780 ( 9.002 -0.527 -1.165) 9.092 25.780 ( 9.002 -0.527 1.165) 9.092 25.865 ( 11.354 -0.770 -1.101) 11.433 25.865 ( 11.354 -0.770 1.101) 11.433 26.940 ( 3.438 3.076 -3.347) 5.700 26.940 ( 3.438 3.076 3.347) 5.700 27.103 ( 7.663 0.253 -1.348) 7.785 27.103 ( 7.663 0.253 1.348) 7.785 27.694 ( 2.248 -0.577 -4.232) 4.826 27.694 ( 2.248 -0.577 4.232) 4.826 28.013 ( -3.510 -4.111 -3.056) 6.210 28.013 ( -3.510 -4.111 3.056) 6.210 28.860 ( 0.655 4.191 -5.093) 6.629 28.860 ( 0.655 4.191 5.093) 6.629 29.155 ( 0.506 -4.231 -5.713) 7.127 29.155 ( 0.506 -4.231 5.713) 7.127 29.640 ( -2.208 1.946 -3.873) 4.865 29.640 ( -2.208 1.946 3.873) 4.865 29.993 ( -2.831 -0.797 -5.729) 6.440 29.993 ( -2.831 -0.797 5.729) 6.440 31.286 ( -1.705 -0.939 -1.686) 2.576 31.286 ( -1.705 -0.939 1.686) 2.576 31.991 ( -17.565 3.118 -4.956) 18.515 31.991 ( -17.565 3.118 4.956) 18.515 ======================= Grid point 168 (54/60) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.088 -5.261 -4.372) 6.841 1.695 ( 0.088 -5.261 4.372) 6.841 1.893 ( 2.011 -2.604 -7.329) 8.034 1.893 ( 2.011 -2.604 7.329) 8.034 2.114 ( -0.284 -5.616 -10.746) 12.128 2.114 ( -0.284 -5.616 10.746) 12.128 2.342 ( 1.627 0.906 -1.832) 2.612 2.342 ( 1.627 0.906 1.832) 2.612 2.680 ( -0.634 0.513 -2.374) 2.510 2.680 ( -0.634 0.513 2.374) 2.510 2.829 ( 1.141 -0.367 -2.735) 2.986 2.829 ( 1.141 -0.367 2.735) 2.986 2.954 ( -2.919 -1.913 -11.818) 12.323 2.954 ( -2.919 -1.913 11.818) 12.323 3.066 ( -5.082 -1.000 -2.390) 5.705 3.066 ( -5.082 -1.000 2.390) 5.705 3.508 ( 1.780 2.359 -5.182) 5.966 3.508 ( 1.780 2.359 5.182) 5.966 3.690 ( 1.928 -2.732 -3.397) 4.766 3.690 ( 1.928 -2.732 3.397) 4.766 3.965 ( -0.481 5.830 -5.749) 8.202 3.965 ( -0.481 5.830 5.749) 8.202 4.165 ( 1.099 -0.795 -4.252) 4.463 4.165 ( 1.099 -0.795 4.252) 4.463 4.416 ( 0.163 0.143 -8.198) 8.201 4.416 ( 0.163 0.143 8.198) 8.201 4.576 ( -0.980 -0.421 -4.735) 4.854 4.576 ( -0.980 -0.421 4.735) 4.854 4.908 ( 8.751 4.599 -2.690) 10.245 4.908 ( 8.751 4.599 2.690) 10.245 5.195 ( 3.710 0.176 -2.126) 4.279 5.195 ( 3.710 0.176 2.126) 4.279 5.402 ( 5.350 5.706 -3.466) 8.555 5.402 ( 5.350 5.706 3.466) 8.555 5.736 ( 9.342 -3.402 -2.310) 10.207 5.736 ( 9.342 -3.402 2.310) 10.207 5.987 ( 5.558 3.307 -2.832) 7.060 5.987 ( 5.558 3.307 2.832) 7.060 6.156 ( 4.767 4.212 -1.930) 6.648 6.156 ( 4.767 4.212 1.930) 6.648 6.463 ( 6.646 1.773 -2.006) 7.165 6.463 ( 6.646 1.773 2.006) 7.165 6.642 ( 0.935 0.700 -3.180) 3.388 6.642 ( 0.935 0.700 3.180) 3.388 7.246 ( 14.680 5.097 -1.761) 15.639 7.246 ( 14.680 5.097 1.761) 15.639 7.496 ( 14.243 0.419 -4.261) 14.872 7.496 ( 14.243 0.419 4.261) 14.872 7.584 ( 11.711 0.649 -6.354) 13.339 7.584 ( 11.711 0.649 6.354) 13.339 7.775 ( 4.628 -5.818 -3.124) 8.064 7.775 ( 4.628 -5.818 3.124) 8.064 8.079 ( 10.362 4.965 -6.496) 13.200 8.079 ( 10.362 4.965 6.496) 13.200 8.249 ( 10.926 -0.340 -4.013) 11.644 8.249 ( 10.926 -0.340 4.013) 11.644 8.575 ( -0.748 3.001 -4.402) 5.380 8.575 ( -0.748 3.001 4.402) 5.380 8.784 ( -1.168 -1.329 -4.208) 4.564 8.784 ( -1.168 -1.329 4.208) 4.564 8.924 ( -0.736 -0.920 -7.068) 7.166 8.924 ( -0.736 -0.920 7.068) 7.166 9.152 ( 0.250 -5.595 -4.244) 7.027 9.152 ( 0.250 -5.595 4.244) 7.027 9.406 ( -4.913 -6.054 -5.095) 9.314 9.406 ( -4.913 -6.054 5.095) 9.314 9.649 ( -8.656 -5.868 -5.493) 11.812 9.649 ( -8.656 -5.868 5.493) 11.812 10.150 ( 1.781 5.506 -3.008) 6.522 10.150 ( 1.781 5.506 3.008) 6.522 10.375 ( -0.191 -1.666 -2.392) 2.921 10.375 ( -0.191 -1.666 2.392) 2.921 11.868 ( -0.988 5.936 -2.176) 6.399 11.868 ( -0.988 5.936 2.176) 6.399 12.169 ( -1.032 -8.732 -2.864) 9.247 12.169 ( -1.032 -8.732 2.864) 9.247 12.655 ( -3.416 6.277 -2.292) 7.504 12.655 ( -3.416 6.277 2.292) 7.504 13.004 ( 4.457 -8.649 -4.567) 10.749 13.004 ( 4.457 -8.649 4.567) 10.749 13.344 ( 0.890 3.839 -4.577) 6.039 13.344 ( 0.890 3.839 4.577) 6.039 13.583 ( 1.005 -1.573 -3.464) 3.935 13.583 ( 1.005 -1.573 3.464) 3.935 14.170 ( -2.306 1.683 -1.843) 3.398 14.170 ( -2.306 1.683 1.843) 3.398 14.279 ( -5.479 3.919 -3.380) 7.537 14.279 ( -5.479 3.919 3.380) 7.537 14.858 ( 6.222 1.260 -2.024) 6.663 14.858 ( 6.222 1.260 2.024) 6.663 14.969 ( 3.463 -3.767 -1.058) 5.225 14.969 ( 3.463 -3.767 1.058) 5.225 15.316 ( 1.807 -0.497 -5.078) 5.413 15.316 ( 1.807 -0.497 5.078) 5.413 15.625 ( -6.001 -4.701 -3.140) 8.244 15.625 ( -6.001 -4.701 3.140) 8.244 16.140 ( -3.662 3.448 -3.473) 6.113 16.140 ( -3.662 3.448 3.473) 6.113 16.394 ( -9.124 -4.862 -0.617) 10.357 16.394 ( -9.124 -4.862 0.617) 10.357 21.596 ( -1.624 2.999 -1.412) 3.691 21.596 ( -1.624 2.999 1.412) 3.691 21.676 ( -3.336 1.058 -2.063) 4.063 21.676 ( -3.336 1.058 2.063) 4.063 25.056 ( -0.579 2.852 -1.965) 3.512 25.056 ( -0.579 2.852 1.965) 3.512 25.140 ( -1.250 -0.609 -0.992) 1.708 25.140 ( -1.250 -0.609 0.992) 1.708 25.979 ( 9.578 -1.732 -1.503) 9.849 25.979 ( 9.578 -1.732 1.503) 9.849 26.090 ( 8.885 -0.366 -0.383) 8.901 26.090 ( 8.885 -0.366 0.383) 8.901 27.004 ( 2.784 3.431 -3.520) 5.649 27.004 ( 2.784 3.431 3.520) 5.649 27.198 ( 0.793 0.369 -1.376) 1.630 27.198 ( 0.793 0.369 1.376) 1.630 27.683 ( -1.672 5.294 -5.308) 7.681 27.683 ( -1.672 5.294 5.308) 7.681 28.003 ( 1.501 -8.650 -3.743) 9.544 28.003 ( 1.501 -8.650 3.743) 9.544 28.884 ( 1.398 5.332 -3.921) 6.765 28.884 ( 1.398 5.332 3.921) 6.765 29.169 ( 0.627 -4.267 -4.771) 6.432 29.169 ( 0.627 -4.267 4.771) 6.432 29.602 ( -1.314 3.820 -4.237) 5.854 29.602 ( -1.314 3.820 4.237) 5.854 29.944 ( -1.612 -5.329 -5.117) 7.562 29.944 ( -1.612 -5.329 5.117) 7.562 31.266 ( 0.103 -0.461 -1.081) 1.179 31.266 ( 0.103 -0.461 1.081) 1.179 31.661 ( -13.682 2.324 -2.635) 14.126 31.661 ( -13.682 2.324 2.635) 14.126 ======================= Grid point 170 (55/60) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.570 -6.962 -2.058) 7.428 1.661 ( -1.570 -6.962 2.058) 7.428 1.878 ( -1.554 -8.194 -1.938) 8.562 1.878 ( -1.554 -8.194 1.938) 8.562 2.197 ( 5.567 -0.486 -5.576) 7.895 2.197 ( 5.567 -0.486 5.576) 7.895 2.336 ( -2.505 -0.613 -0.961) 2.752 2.336 ( -2.505 -0.613 0.961) 2.752 2.711 ( 3.493 3.879 -4.694) 7.021 2.711 ( 3.493 3.879 4.694) 7.021 2.794 ( -3.383 0.121 -6.570) 7.391 2.794 ( -3.383 0.121 6.570) 7.391 2.922 ( -0.754 0.850 -1.551) 1.923 2.922 ( -0.754 0.850 1.551) 1.923 2.996 ( -1.673 -1.409 -3.772) 4.360 2.996 ( -1.673 -1.409 3.772) 4.361 3.530 ( 0.928 2.734 -3.657) 4.660 3.530 ( 0.928 2.734 3.657) 4.660 3.698 ( -0.949 -3.287 -2.403) 4.181 3.698 ( -0.949 -3.287 2.403) 4.181 3.950 ( -0.283 5.191 -2.102) 5.608 3.950 ( -0.283 5.191 2.102) 5.608 4.194 ( 0.980 -2.989 -1.683) 3.568 4.194 ( 0.980 -2.989 1.683) 3.568 4.420 ( 0.278 -0.052 -4.513) 4.521 4.420 ( 0.278 -0.052 4.513) 4.521 4.534 ( -1.902 -1.082 -3.020) 3.729 4.534 ( -1.902 -1.082 3.020) 3.729 5.082 ( 7.540 3.983 -2.290) 8.829 5.082 ( 7.540 3.983 2.290) 8.829 5.206 ( -2.967 1.855 -1.300) 3.732 5.206 ( -2.967 1.855 1.300) 3.732 5.452 ( 0.876 8.272 -1.612) 8.473 5.452 ( 0.876 8.272 1.612) 8.473 5.812 ( 0.058 -4.743 -1.131) 4.876 5.812 ( 0.058 -4.743 1.131) 4.876 6.080 ( 2.717 10.649 -1.506) 11.093 6.080 ( 2.717 10.649 1.506) 11.093 6.260 ( 3.534 0.511 -1.960) 4.073 6.260 ( 3.534 0.511 1.960) 4.073 6.609 ( 5.367 -0.851 -1.165) 5.558 6.609 ( 5.367 -0.851 1.165) 5.558 6.655 ( 0.033 -0.628 -1.353) 1.492 6.655 ( 0.033 -0.628 1.353) 1.492 7.451 ( 6.130 2.945 -1.465) 6.957 7.451 ( 6.130 2.945 1.465) 6.957 7.582 ( -2.168 -0.784 -3.145) 3.899 7.582 ( -2.168 -0.784 3.145) 3.899 7.797 ( 6.403 -0.060 -1.835) 6.661 7.797 ( 6.403 -0.060 1.835) 6.661 7.859 ( 2.404 -3.181 -2.835) 4.892 7.859 ( 2.404 -3.181 2.835) 4.892 8.315 ( 10.016 5.035 -2.964) 11.596 8.315 ( 10.016 5.035 2.964) 11.596 8.445 ( 4.696 1.683 -3.080) 5.862 8.445 ( 4.696 1.683 3.080) 5.862 8.538 ( -1.961 4.328 -3.219) 5.739 8.538 ( -1.961 4.328 3.219) 5.739 8.764 ( -0.774 -2.550 -2.614) 3.733 8.764 ( -0.774 -2.550 2.614) 3.733 8.939 ( 1.098 -1.062 -1.735) 2.312 8.939 ( 1.098 -1.062 1.735) 2.312 9.150 ( -0.544 -10.601 -2.766) 10.969 9.150 ( -0.544 -10.601 2.766) 10.969 9.358 ( 0.057 -1.395 -2.679) 3.021 9.358 ( 0.057 -1.395 2.679) 3.021 9.496 ( -4.770 -6.283 -3.488) 8.626 9.496 ( -4.770 -6.283 3.488) 8.626 10.192 ( 1.562 4.988 -1.380) 5.406 10.192 ( 1.562 4.988 1.380) 5.406 10.366 ( -0.597 -1.904 -0.730) 2.125 10.366 ( -0.597 -1.904 0.730) 2.125 11.839 ( -1.175 4.759 -0.790) 4.965 11.839 ( -1.175 4.759 0.790) 4.965 12.143 ( -0.860 -10.424 -1.152) 10.523 12.143 ( -0.860 -10.424 1.152) 10.523 12.619 ( -0.585 10.498 -1.101) 10.572 12.619 ( -0.585 10.498 1.101) 10.572 13.075 ( 1.938 -10.872 -1.712) 11.176 13.075 ( 1.938 -10.872 1.712) 11.176 13.364 ( 0.668 5.922 -1.990) 6.283 13.364 ( 0.668 5.922 1.990) 6.283 13.592 ( 0.066 -3.167 -1.145) 3.368 13.592 ( 0.066 -3.167 1.145) 3.368 14.141 ( -0.077 3.590 -1.977) 4.099 14.141 ( -0.077 3.590 1.977) 4.099 14.181 ( -3.437 4.121 -2.468) 5.907 14.181 ( -3.437 4.121 2.468) 5.907 14.956 ( 2.814 -1.097 -0.802) 3.125 14.956 ( 2.814 -1.097 0.802) 3.125 15.025 ( 1.435 -4.044 -0.495) 4.319 15.025 ( 1.435 -4.044 0.495) 4.319 15.379 ( 4.241 0.207 -3.632) 5.588 15.379 ( 4.241 0.207 3.632) 5.588 15.497 ( -5.952 -1.831 -2.499) 6.710 15.497 ( -5.952 -1.831 2.499) 6.710 16.099 ( -0.346 1.141 -1.530) 1.940 16.099 ( -0.346 1.141 1.530) 1.940 16.238 ( -4.902 -4.956 -0.493) 6.988 16.238 ( -4.902 -4.956 0.493) 6.988 21.573 ( -0.557 3.021 -0.794) 3.173 21.573 ( -0.557 3.021 0.794) 3.173 21.627 ( -1.251 0.543 -1.100) 1.752 21.627 ( -1.251 0.543 1.100) 1.752 25.051 ( 0.017 2.713 -1.057) 2.912 25.051 ( 0.017 2.713 1.057) 2.912 25.113 ( -0.927 0.036 -0.683) 1.152 25.113 ( -0.927 0.036 0.683) 1.152 26.146 ( 5.598 -1.220 -1.033) 5.822 26.146 ( 5.598 -1.220 1.033) 5.822 26.203 ( 1.740 -1.118 -0.410) 2.109 26.203 ( 1.740 -1.118 0.410) 2.109 27.059 ( 2.500 2.985 -3.269) 5.084 27.059 ( 2.500 2.985 3.269) 5.084 27.157 ( -3.185 0.746 -2.686) 4.233 27.157 ( -3.185 0.746 2.686) 4.233 27.670 ( 0.098 7.166 -1.383) 7.299 27.670 ( 0.098 7.166 1.383) 7.299 28.031 ( 0.760 -9.283 -1.261) 9.399 28.031 ( 0.760 -9.283 1.261) 9.399 28.908 ( 0.711 6.650 -1.498) 6.854 28.908 ( 0.711 6.650 1.498) 6.854 29.177 ( 0.169 -4.851 -1.985) 5.245 29.177 ( 0.169 -4.851 1.985) 5.245 29.585 ( -0.418 6.171 -1.890) 6.467 29.585 ( -0.418 6.171 1.890) 6.467 29.926 ( -0.301 -9.267 -2.075) 9.501 29.926 ( -0.301 -9.267 2.075) 9.501 31.300 ( 3.228 0.639 -0.608) 3.346 31.300 ( 3.228 0.639 0.608) 3.346 31.433 ( -7.995 0.730 -1.212) 8.119 31.433 ( -7.995 0.730 1.212) 8.119 ======================= Grid point 180 (56/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 -0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 -0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 -0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 -0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 -0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 -0.000 -0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 -0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 -0.000 -0.000) 0.000 6.904 ( 0.000 -0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 -0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.668 ( 0.000 0.000 0.000) 0.000 8.668 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 -0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 -0.000) 0.000 9.141 ( 0.000 0.000 -0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 -0.000 -0.000) 0.000 9.474 ( 0.000 -0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 12.042 ( 0.000 0.000 0.000) 0.000 12.042 ( 0.000 0.000 0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.453 ( 0.000 0.000 -0.000) 0.000 13.453 ( 0.000 0.000 -0.000) 0.000 13.462 ( 0.000 -0.000 -0.000) 0.000 13.462 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 -0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 -0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 14.867 ( 0.000 0.000 0.000) 0.000 14.867 ( 0.000 0.000 0.000) 0.000 15.346 ( 0.000 0.000 0.000) 0.000 15.346 ( 0.000 0.000 0.000) 0.000 15.738 ( 0.000 0.000 0.000) 0.000 15.738 ( 0.000 0.000 0.000) 0.000 16.466 ( 0.000 0.000 0.000) 0.000 16.466 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 21.709 ( 0.000 0.000 0.000) 0.000 21.709 ( 0.000 0.000 0.000) 0.000 21.951 ( 0.000 0.000 0.000) 0.000 21.951 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 0.000 0.000) 0.000 25.097 ( 0.000 0.000 0.000) 0.000 25.097 ( 0.000 0.000 0.000) 0.000 25.581 ( 0.000 0.000 0.000) 0.000 25.581 ( 0.000 0.000 0.000) 0.000 25.653 ( 0.000 0.000 0.000) 0.000 25.653 ( 0.000 0.000 0.000) 0.000 26.815 ( 0.000 0.000 -0.000) 0.000 26.815 ( 0.000 0.000 0.000) 0.000 26.853 ( 0.000 -0.000 0.000) 0.000 26.853 ( 0.000 0.000 0.000) 0.000 27.539 ( 0.000 0.000 0.000) 0.000 27.539 ( 0.000 0.000 0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.931 ( 0.000 0.000 0.000) 0.000 28.931 ( 0.000 0.000 0.000) 0.000 29.087 ( 0.000 0.000 0.000) 0.000 29.087 ( 0.000 0.000 0.000) 0.000 29.716 ( 0.000 0.000 0.000) 0.000 29.716 ( 0.000 0.000 0.000) 0.000 30.101 ( 0.000 0.000 0.000) 0.000 30.101 ( 0.000 0.000 0.000) 0.000 31.337 ( 0.000 0.000 0.000) 0.000 31.337 ( 0.000 0.000 0.000) 0.000 32.508 ( 0.000 0.000 0.000) 0.000 32.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 184 (57/60) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 6.322 0.000 0.000) 6.322 1.396 ( 6.322 0.000 0.000) 6.322 1.692 ( 16.763 0.000 0.000) 16.763 1.692 ( 16.763 0.000 0.000) 16.763 2.065 ( 1.402 0.000 -0.000) 1.402 2.065 ( 1.402 0.000 0.000) 1.402 2.240 ( 2.739 0.000 0.000) 2.739 2.240 ( 2.739 0.000 0.000) 2.739 2.659 ( 0.783 -0.000 -0.000) 0.783 2.659 ( 0.783 0.000 0.000) 0.783 2.674 ( -1.475 -0.000 -0.000) 1.475 2.674 ( -1.475 0.000 0.000) 1.475 3.127 ( 1.310 0.000 -0.000) 1.310 3.127 ( 1.310 0.000 0.000) 1.310 3.206 ( -3.781 -0.000 -0.000) 3.781 3.206 ( -3.781 -0.000 0.000) 3.781 3.415 ( 0.592 0.000 0.000) 0.592 3.415 ( 0.592 0.000 0.000) 0.592 3.646 ( 0.870 0.000 0.000) 0.870 3.646 ( 0.870 0.000 0.000) 0.870 3.862 ( 1.762 0.000 -0.000) 1.762 3.862 ( 1.762 0.000 0.000) 1.762 4.246 ( 4.719 0.000 0.000) 4.719 4.246 ( 4.719 0.000 0.000) 4.719 4.328 ( 2.653 -0.000 -0.000) 2.653 4.328 ( 2.653 0.000 0.000) 2.653 4.399 ( 1.857 0.000 0.000) 1.857 4.399 ( 1.857 0.000 0.000) 1.857 4.686 ( 5.470 0.000 0.000) 5.470 4.686 ( 5.470 0.000 0.000) 5.470 4.886 ( 11.242 -0.000 0.000) 11.242 4.886 ( 11.242 0.000 0.000) 11.242 4.923 ( 4.739 -0.000 -0.000) 4.739 4.923 ( 4.739 0.000 0.000) 4.739 5.184 ( 11.593 0.000 0.000) 11.593 5.184 ( 11.593 0.000 0.000) 11.593 5.579 ( 10.226 0.000 0.000) 10.226 5.579 ( 10.226 0.000 0.000) 10.226 6.132 ( -2.206 0.000 0.000) 2.206 6.132 ( -2.206 0.000 0.000) 2.206 6.423 ( 8.939 -0.000 -0.000) 8.939 6.423 ( 8.939 0.000 0.000) 8.939 6.424 ( 8.055 -0.000 -0.000) 8.055 6.424 ( 8.055 0.000 0.000) 8.055 6.586 ( 9.779 0.000 0.000) 9.779 6.586 ( 9.779 0.000 0.000) 9.779 6.881 ( 0.109 0.000 0.000) 0.109 6.881 ( 0.109 0.000 0.000) 0.109 7.092 ( 15.131 -0.000 0.000) 15.131 7.092 ( 15.131 0.000 0.000) 15.131 7.148 ( 10.019 -0.000 -0.000) 10.019 7.148 ( 10.019 0.000 0.000) 10.019 8.008 ( -2.790 0.000 -0.000) 2.790 8.008 ( -2.790 0.000 0.000) 2.790 8.173 ( -3.095 0.000 0.000) 3.095 8.173 ( -3.095 0.000 0.000) 3.095 8.647 ( -1.774 0.000 0.000) 1.774 8.647 ( -1.774 0.000 0.000) 1.774 8.864 ( -2.172 0.000 -0.000) 2.172 8.864 ( -2.172 0.000 0.000) 2.172 9.103 ( -3.722 0.000 -0.000) 3.722 9.103 ( -3.722 0.000 0.000) 3.722 9.232 ( -2.442 0.000 0.000) 2.442 9.232 ( -2.442 0.000 0.000) 2.442 9.438 ( -2.847 -0.000 0.000) 2.847 9.438 ( -2.847 -0.000 0.000) 2.847 9.848 ( -2.218 0.000 0.000) 2.218 9.848 ( -2.218 0.000 0.000) 2.218 10.077 ( 3.761 0.000 0.000) 3.761 10.077 ( 3.761 0.000 0.000) 3.761 10.547 ( -7.169 0.000 0.000) 7.169 10.547 ( -7.169 0.000 0.000) 7.169 11.842 ( 6.405 0.000 -0.000) 6.405 11.842 ( 6.405 0.000 0.000) 6.405 12.049 ( 0.425 0.000 0.000) 0.425 12.049 ( 0.425 0.000 0.000) 0.425 12.806 ( 1.418 0.000 -0.000) 1.418 12.806 ( 1.418 0.000 0.000) 1.418 13.024 ( -9.026 0.000 0.000) 9.026 13.024 ( -9.026 0.000 0.000) 9.026 13.378 ( -3.769 0.000 0.000) 3.769 13.378 ( -3.769 0.000 0.000) 3.769 13.478 ( 2.284 -0.000 -0.000) 2.284 13.478 ( 2.284 0.000 0.000) 2.284 14.158 ( 3.864 0.000 0.000) 3.864 14.158 ( 3.864 0.000 0.000) 3.864 14.540 ( -3.869 -0.000 -0.000) 3.869 14.540 ( -3.869 -0.000 0.000) 3.869 14.563 ( 6.949 0.000 -0.000) 6.949 14.563 ( 6.949 0.000 0.000) 6.949 14.875 ( 0.677 0.000 0.000) 0.677 14.875 ( 0.677 0.000 0.000) 0.677 15.323 ( -1.867 0.000 0.000) 1.867 15.323 ( -1.867 0.000 0.000) 1.867 15.713 ( -2.287 0.000 0.000) 2.287 15.713 ( -2.287 0.000 0.000) 2.287 16.422 ( -4.080 0.000 0.000) 4.080 16.422 ( -4.080 0.000 0.000) 4.080 16.686 ( -5.620 0.000 0.000) 5.620 16.686 ( -5.620 0.000 0.000) 5.620 21.695 ( -1.237 0.000 0.000) 1.237 21.695 ( -1.237 0.000 0.000) 1.237 21.896 ( -4.692 0.000 0.000) 4.692 21.896 ( -4.692 0.000 0.000) 4.692 25.012 ( 4.729 0.000 0.000) 4.729 25.012 ( 4.729 0.000 0.000) 4.729 25.131 ( 1.624 0.000 0.000) 1.624 25.131 ( 1.624 0.000 0.000) 1.624 25.642 ( 6.817 0.000 0.000) 6.817 25.642 ( 6.817 0.000 0.000) 6.817 25.674 ( 2.457 0.000 0.000) 2.457 25.674 ( 2.457 0.000 0.000) 2.457 26.894 ( 3.511 0.000 -0.000) 3.511 26.894 ( 3.511 0.000 -0.000) 3.511 26.914 ( 8.495 0.000 0.000) 8.495 26.914 ( 8.495 0.000 0.000) 8.495 27.583 ( 4.057 0.000 0.000) 4.057 27.583 ( 4.057 0.000 0.000) 4.057 28.097 ( -4.650 0.000 0.000) 4.650 28.097 ( -4.650 0.000 0.000) 4.650 28.917 ( -0.879 0.000 0.000) 0.879 28.917 ( -0.879 0.000 0.000) 0.879 29.089 ( 0.224 0.000 -0.000) 0.224 29.089 ( 0.224 0.000 0.000) 0.224 29.698 ( -1.579 0.000 0.000) 1.579 29.698 ( -1.579 0.000 0.000) 1.579 30.067 ( -3.079 0.000 0.000) 3.079 30.067 ( -3.079 0.000 0.000) 3.079 31.317 ( -1.741 0.000 0.000) 1.741 31.317 ( -1.741 0.000 0.000) 1.741 32.358 ( -13.309 0.000 0.000) 13.309 32.358 ( -13.309 0.000 0.000) 13.309 ======================= Grid point 188 (58/60) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 7.984 0.000 0.000) 7.984 1.557 ( 7.984 0.000 0.000) 7.984 1.922 ( 2.116 -0.000 0.000) 2.116 1.922 ( 2.116 0.000 0.000) 2.116 2.040 ( -2.739 0.000 -0.000) 2.739 2.040 ( -2.739 0.000 0.000) 2.739 2.292 ( 3.341 0.000 0.000) 3.341 2.292 ( 3.341 0.000 0.000) 3.341 2.646 ( -0.674 0.000 -0.000) 0.674 2.646 ( -0.674 0.000 0.000) 0.674 2.714 ( 5.472 0.000 0.000) 5.472 2.714 ( 5.472 0.000 0.000) 5.472 3.097 ( -6.841 0.000 -0.000) 6.841 3.097 ( -6.841 0.000 0.000) 6.841 3.142 ( -2.256 -0.000 -0.000) 2.256 3.142 ( -2.256 -0.000 0.000) 2.256 3.481 ( 6.158 0.000 0.000) 6.158 3.481 ( 6.158 0.000 0.000) 6.158 3.611 ( -2.187 0.000 0.000) 2.187 3.611 ( -2.187 0.000 0.000) 2.187 3.958 ( 5.390 0.000 -0.000) 5.390 3.958 ( 5.390 0.000 0.000) 5.390 4.243 ( -3.743 0.000 0.000) 3.743 4.243 ( -3.743 0.000 0.000) 3.743 4.389 ( 2.214 0.000 0.000) 2.214 4.389 ( 2.214 0.000 0.000) 2.214 4.514 ( 5.844 0.000 -0.000) 5.844 4.514 ( 5.844 0.000 0.000) 5.844 4.816 ( 6.989 0.000 -0.000) 6.989 4.816 ( 6.989 0.000 0.000) 6.989 5.043 ( 6.282 0.000 0.000) 6.282 5.043 ( 6.282 0.000 0.000) 6.282 5.208 ( 18.236 0.000 0.000) 18.236 5.208 ( 18.236 0.000 0.000) 18.236 5.459 ( 12.812 -0.000 0.000) 12.812 5.459 ( 12.812 0.000 0.000) 12.812 5.821 ( 11.270 0.000 0.000) 11.270 5.821 ( 11.270 0.000 0.000) 11.270 6.119 ( 1.713 0.000 -0.000) 1.713 6.119 ( 1.713 0.000 0.000) 1.713 6.438 ( 0.024 0.000 0.000) 0.024 6.438 ( 0.024 0.000 0.000) 0.024 6.608 ( 5.850 0.000 -0.000) 5.850 6.608 ( 5.850 0.000 0.000) 5.850 6.969 ( 12.014 0.000 0.000) 12.014 6.969 ( 12.014 0.000 0.000) 12.014 7.069 ( 26.388 0.000 0.000) 26.388 7.069 ( 26.388 0.000 0.000) 26.388 7.411 ( 13.340 0.000 0.000) 13.340 7.411 ( 13.340 0.000 0.000) 13.340 7.435 ( 15.289 -0.000 -0.000) 15.289 7.435 ( 15.289 0.000 0.000) 15.289 7.984 ( 2.737 0.000 -0.000) 2.737 7.984 ( 2.737 0.000 0.000) 2.737 8.121 ( -0.513 0.000 -0.000) 0.513 8.121 ( -0.513 0.000 0.000) 0.513 8.614 ( -0.846 0.000 -0.000) 0.846 8.614 ( -0.846 0.000 0.000) 0.846 8.804 ( -3.216 0.000 -0.000) 3.216 8.804 ( -3.216 0.000 0.000) 3.216 9.001 ( -5.413 0.000 -0.000) 5.413 9.001 ( -5.413 0.000 0.000) 5.413 9.169 ( -3.324 0.000 -0.000) 3.324 9.169 ( -3.324 0.000 0.000) 3.324 9.375 ( -3.064 -0.000 0.000) 3.064 9.375 ( -3.064 0.000 0.000) 3.064 9.760 ( -6.469 0.000 0.000) 6.469 9.760 ( -6.469 0.000 0.000) 6.469 10.162 ( 3.956 0.000 0.000) 3.956 10.162 ( 3.956 0.000 0.000) 3.956 10.404 ( -5.375 0.000 -0.000) 5.375 10.404 ( -5.375 0.000 0.000) 5.375 11.967 ( 4.147 0.000 -0.000) 4.147 11.967 ( 4.147 0.000 0.000) 4.147 12.049 ( -0.641 -0.000 0.000) 0.641 12.049 ( -0.641 0.000 0.000) 0.641 12.827 ( -7.188 0.000 -0.000) 7.188 12.827 ( -7.188 0.000 0.000) 7.188 12.836 ( 1.331 -0.000 -0.000) 1.331 12.836 ( 1.331 -0.000 0.000) 1.331 13.359 ( 1.100 0.000 0.000) 1.100 13.359 ( 1.100 0.000 0.000) 1.100 13.533 ( 2.466 -0.000 -0.000) 2.466 13.533 ( 2.466 0.000 0.000) 2.466 14.193 ( -0.052 0.000 0.000) 0.052 14.193 ( -0.052 0.000 0.000) 0.052 14.440 ( -5.308 0.000 -0.000) 5.308 14.440 ( -5.308 0.000 0.000) 5.308 14.735 ( 8.382 0.000 0.000) 8.382 14.735 ( 8.382 0.000 0.000) 8.382 14.890 ( 0.826 0.000 0.000) 0.826 14.890 ( 0.826 0.000 0.000) 0.826 15.294 ( -0.345 0.000 0.000) 0.345 15.294 ( -0.345 0.000 0.000) 0.345 15.649 ( -3.757 0.000 0.000) 3.757 15.649 ( -3.757 0.000 0.000) 3.757 16.311 ( -6.197 0.000 0.000) 6.197 16.311 ( -6.197 0.000 0.000) 6.197 16.529 ( -8.964 0.000 0.000) 8.964 16.529 ( -8.964 0.000 0.000) 8.964 21.662 ( -1.789 0.000 0.000) 1.789 21.662 ( -1.789 0.000 0.000) 1.789 21.786 ( -5.400 0.000 -0.000) 5.400 21.786 ( -5.400 0.000 0.000) 5.400 25.100 ( 2.791 0.000 -0.000) 2.791 25.100 ( 2.791 0.000 0.000) 2.791 25.128 ( -1.425 -0.000 -0.000) 1.425 25.128 ( -1.425 -0.000 0.000) 1.425 25.776 ( 7.448 0.000 0.000) 7.448 25.776 ( 7.448 0.000 0.000) 7.448 25.856 ( 12.195 0.000 0.000) 12.195 25.856 ( 12.195 0.000 0.000) 12.195 26.975 ( 3.790 0.000 -0.000) 3.790 26.975 ( 3.790 0.000 0.000) 3.790 27.104 ( 8.064 0.000 0.000) 8.064 27.104 ( 8.064 0.000 0.000) 8.064 27.690 ( 5.567 0.000 0.000) 5.567 27.690 ( 5.567 0.000 0.000) 5.567 27.969 ( -6.768 0.000 0.000) 6.768 27.969 ( -6.768 0.000 0.000) 6.768 28.917 ( 1.139 0.000 0.000) 1.139 28.917 ( 1.139 0.000 0.000) 1.139 29.097 ( 0.465 0.000 -0.000) 0.465 29.097 ( 0.465 0.000 0.000) 0.465 29.662 ( -1.492 0.000 0.000) 1.492 29.662 ( -1.492 0.000 0.000) 1.492 29.983 ( -4.790 0.000 0.000) 4.790 29.983 ( -4.790 0.000 0.000) 4.790 31.278 ( -1.640 0.000 0.000) 1.640 31.278 ( -1.640 0.000 0.000) 1.640 32.022 ( -17.433 0.000 0.000) 17.433 32.022 ( -17.433 0.000 0.000) 17.433 ======================= Grid point 192 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.455 0.000 -0.000) 1.455 1.663 ( 1.455 0.000 0.000) 1.455 1.837 ( -6.986 0.000 0.000) 6.986 1.837 ( -6.986 0.000 0.000) 6.986 2.043 ( 4.336 0.000 0.000) 4.336 2.043 ( 4.336 0.000 0.000) 4.336 2.368 ( 2.205 0.000 -0.000) 2.205 2.368 ( 2.205 0.000 0.000) 2.205 2.667 ( 2.930 0.000 -0.000) 2.930 2.667 ( 2.930 0.000 0.000) 2.930 2.824 ( 1.899 0.000 0.000) 1.899 2.824 ( 1.899 0.000 0.000) 1.899 2.961 ( -3.391 0.000 -0.000) 3.391 2.961 ( -3.391 0.000 0.000) 3.391 3.048 ( -5.416 -0.000 -0.000) 5.416 3.048 ( -5.416 -0.000 0.000) 5.416 3.574 ( -1.336 -0.000 -0.000) 1.336 3.574 ( -1.336 0.000 0.000) 1.336 3.610 ( 4.813 0.000 -0.000) 4.813 3.610 ( 4.813 0.000 0.000) 4.813 4.053 ( 3.295 0.000 -0.000) 3.295 4.053 ( 3.295 0.000 0.000) 3.295 4.144 ( -4.940 0.000 -0.000) 4.940 4.144 ( -4.940 0.000 0.000) 4.940 4.412 ( 0.609 0.000 0.000) 0.609 4.412 ( 0.609 0.000 0.000) 0.609 4.567 ( -0.855 0.000 0.000) 0.855 4.567 ( -0.855 0.000 0.000) 0.855 4.973 ( 8.037 0.000 -0.000) 8.037 4.973 ( 8.037 0.000 0.000) 8.037 5.155 ( 4.009 0.000 0.000) 4.009 5.155 ( 4.009 0.000 0.000) 4.009 5.543 ( 11.411 0.000 -0.000) 11.411 5.543 ( 11.411 0.000 0.000) 11.411 5.637 ( 3.784 -0.000 0.000) 3.784 5.637 ( 3.784 0.000 0.000) 3.784 6.031 ( 9.722 0.000 0.000) 9.722 6.031 ( 9.722 0.000 0.000) 9.722 6.200 ( 4.914 0.000 -0.000) 4.914 6.200 ( 4.914 0.000 0.000) 4.914 6.495 ( 5.167 0.000 -0.000) 5.167 6.495 ( 5.167 0.000 0.000) 5.167 6.643 ( -0.221 0.000 -0.000) 0.221 6.643 ( -0.221 0.000 0.000) 0.221 7.313 ( 15.102 -0.000 -0.000) 15.102 7.313 ( 15.102 0.000 0.000) 15.102 7.492 ( 10.641 0.000 0.000) 10.641 7.492 ( 10.641 0.000 0.000) 10.641 7.643 ( 9.327 -0.000 -0.000) 9.327 7.643 ( 9.327 0.000 0.000) 9.327 7.660 ( 9.063 -0.000 -0.000) 9.063 7.660 ( 9.063 0.000 0.000) 9.063 8.185 ( 14.582 -0.000 -0.000) 14.582 8.185 ( 14.582 0.000 0.000) 14.582 8.203 ( 8.243 0.000 -0.000) 8.243 8.203 ( 8.243 -0.000 0.000) 8.243 8.617 ( 0.550 0.000 -0.000) 0.550 8.617 ( 0.550 0.000 0.000) 0.550 8.745 ( -2.287 -0.000 0.000) 2.287 8.745 ( -2.287 0.000 0.000) 2.287 8.916 ( -1.777 0.000 -0.000) 1.777 8.916 ( -1.777 0.000 0.000) 1.777 9.099 ( -3.515 0.000 -0.000) 3.515 9.099 ( -3.515 0.000 0.000) 3.515 9.323 ( -1.302 0.000 -0.000) 1.302 9.323 ( -1.302 0.000 0.000) 1.302 9.592 ( -8.866 0.000 0.000) 8.866 9.592 ( -8.866 0.000 0.000) 8.866 10.232 ( 2.772 0.000 0.000) 2.772 10.232 ( 2.772 0.000 0.000) 2.772 10.337 ( -1.540 0.000 -0.000) 1.540 10.337 ( -1.540 0.000 0.000) 1.540 11.988 ( -1.507 -0.000 -0.000) 1.507 11.988 ( -1.507 0.000 0.000) 1.507 12.018 ( -2.270 -0.000 0.000) 2.270 12.018 ( -2.270 0.000 0.000) 2.270 12.772 ( 1.240 0.000 -0.000) 1.240 12.772 ( 1.240 0.000 0.000) 1.240 12.859 ( 0.845 -0.000 -0.000) 0.845 12.859 ( 0.845 0.000 0.000) 0.845 13.401 ( 2.676 0.000 -0.000) 2.676 13.401 ( 2.676 0.000 0.000) 2.676 13.557 ( -0.360 -0.000 -0.000) 0.360 13.557 ( -0.360 0.000 0.000) 0.360 14.179 ( -0.767 0.000 0.000) 0.767 14.179 ( -0.767 0.000 0.000) 0.767 14.331 ( -5.127 0.000 0.000) 5.127 14.331 ( -5.127 0.000 0.000) 5.127 14.884 ( 5.666 0.000 0.000) 5.666 14.884 ( 5.666 0.000 0.000) 5.666 14.916 ( 1.773 -0.000 -0.000) 1.773 14.916 ( 1.773 0.000 0.000) 1.773 15.318 ( 2.506 0.000 -0.000) 2.506 15.318 ( 2.506 0.000 0.000) 2.506 15.562 ( -4.465 0.000 0.000) 4.465 15.562 ( -4.465 0.000 0.000) 4.465 16.186 ( -5.148 0.000 0.000) 5.148 16.186 ( -5.148 0.000 0.000) 5.148 16.336 ( -9.065 0.000 0.000) 9.065 16.336 ( -9.065 0.000 0.000) 9.065 21.627 ( -1.408 0.000 0.000) 1.408 21.627 ( -1.408 0.000 0.000) 1.408 21.687 ( -3.899 0.000 -0.000) 3.899 21.687 ( -3.899 0.000 0.000) 3.899 25.098 ( -1.100 0.000 -0.000) 1.100 25.098 ( -1.100 0.000 0.000) 1.100 25.122 ( -0.309 -0.000 -0.000) 0.309 25.122 ( -0.309 -0.000 0.000) 0.309 25.961 ( 9.474 0.000 0.000) 9.474 25.961 ( 9.474 0.000 0.000) 9.474 26.086 ( 8.778 0.000 0.000) 8.778 26.086 ( 8.778 0.000 0.000) 8.778 27.043 ( 2.804 0.000 -0.000) 2.804 27.043 ( 2.804 0.000 0.000) 2.804 27.198 ( 0.612 0.000 0.000) 0.612 27.198 ( 0.612 0.000 0.000) 0.612 27.790 ( 3.663 -0.000 -0.000) 3.663 27.790 ( 3.663 0.000 0.000) 3.663 27.861 ( -2.883 -0.000 0.000) 2.883 27.861 ( -2.883 0.000 0.000) 2.883 28.962 ( 2.966 0.000 0.000) 2.966 28.962 ( 2.966 0.000 0.000) 2.966 29.101 ( -0.277 0.000 -0.000) 0.277 29.101 ( -0.277 0.000 0.000) 0.277 29.652 ( 0.804 0.000 0.000) 0.804 29.652 ( 0.804 0.000 0.000) 0.804 29.879 ( -4.996 0.000 0.000) 4.996 29.879 ( -4.996 0.000 0.000) 4.996 31.263 ( 0.431 0.000 0.000) 0.431 31.263 ( 0.431 0.000 0.000) 0.431 31.684 ( -14.306 0.000 0.000) 14.306 31.684 ( -14.306 0.000 0.000) 14.306 ======================= Grid point 196 (60/60) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.344 -0.000 -0.000) 0.344 1.666 ( 0.344 0.000 0.000) 0.344 1.711 ( -4.302 0.000 -0.000) 4.302 1.711 ( -4.302 0.000 0.000) 4.302 2.185 ( 8.007 0.000 0.000) 8.007 2.185 ( 8.007 0.000 0.000) 8.007 2.336 ( -5.400 0.000 0.000) 5.400 2.336 ( -5.400 0.000 0.000) 5.400 2.750 ( 3.769 0.000 -0.000) 3.769 2.750 ( 3.769 -0.000 0.000) 3.769 2.791 ( -1.454 0.000 -0.000) 1.454 2.791 ( -1.454 0.000 0.000) 1.454 2.960 ( -2.126 0.000 -0.001) 2.126 2.960 ( -2.126 0.000 -0.000) 2.126 2.961 ( -0.344 -0.001 0.000) 0.344 2.961 ( -0.344 0.000 0.001) 0.344 3.582 ( 2.539 -0.000 -0.000) 2.539 3.582 ( 2.539 -0.000 0.000) 2.539 3.645 ( -1.728 0.000 -0.000) 1.728 3.645 ( -1.728 0.000 0.000) 1.728 4.074 ( -1.164 -0.001 -0.000) 1.164 4.074 ( -1.164 0.000 -0.000) 1.164 4.079 ( -0.495 -0.000 -0.000) 0.495 4.079 ( -0.495 0.001 0.000) 0.495 4.442 ( 2.563 0.000 -0.000) 2.563 4.442 ( 2.563 0.000 0.000) 2.563 4.510 ( -3.625 0.000 -0.000) 3.625 4.510 ( -3.625 0.000 0.000) 3.625 5.127 ( 5.992 0.000 -0.000) 5.992 5.127 ( 5.992 0.000 0.000) 5.992 5.196 ( -0.422 -0.000 -0.000) 0.422 5.196 ( -0.422 0.000 0.000) 0.422 5.657 ( 1.176 -0.000 -0.000) 1.176 5.657 ( 1.176 0.000 0.000) 1.176 5.661 ( 0.001 -0.000 -0.000) 0.001 5.661 ( 0.001 0.000 0.000) 0.001 6.215 ( 6.546 0.000 0.000) 6.546 6.215 ( 6.546 0.000 0.000) 6.546 6.271 ( 0.997 -0.000 -0.000) 0.997 6.271 ( 0.997 0.000 0.000) 0.997 6.599 ( 3.645 0.000 -0.000) 3.645 6.599 ( 3.645 0.000 0.000) 3.645 6.637 ( -0.496 0.000 -0.000) 0.496 6.637 ( -0.496 0.000 0.000) 0.496 7.497 ( 4.484 -0.000 -0.000) 4.484 7.497 ( 4.484 0.000 0.000) 4.484 7.555 ( -1.041 0.000 -0.000) 1.041 7.555 ( -1.041 0.000 0.000) 1.041 7.809 ( 5.017 0.000 -0.000) 5.017 7.809 ( 5.017 0.000 0.000) 5.017 7.819 ( 3.999 -0.000 -0.000) 3.999 7.819 ( 3.999 0.000 0.000) 3.999 8.394 ( 8.073 0.000 -0.000) 8.073 8.394 ( 8.073 0.000 0.000) 8.073 8.446 ( 6.461 -0.000 -0.000) 6.461 8.446 ( 6.461 0.000 0.000) 6.461 8.621 ( 1.628 0.000 -0.000) 1.628 8.621 ( 1.628 0.000 0.000) 1.628 8.699 ( -2.930 -0.000 0.000) 2.930 8.699 ( -2.930 0.000 0.000) 2.930 8.936 ( 2.875 0.000 0.000) 2.875 8.936 ( 2.875 0.000 0.000) 2.875 9.016 ( -4.452 -0.000 -0.000) 4.452 9.016 ( -4.452 0.000 0.000) 4.452 9.339 ( 2.770 0.000 -0.000) 2.770 9.339 ( 2.770 0.000 0.000) 2.770 9.430 ( -6.120 0.000 0.000) 6.120 9.430 ( -6.120 0.000 0.000) 6.120 10.280 ( 1.925 -0.000 0.000) 1.925 10.280 ( 1.925 0.000 0.000) 1.925 10.313 ( -1.239 -0.000 -0.000) 1.239 10.313 ( -1.239 0.000 0.000) 1.239 11.954 ( -0.818 -0.000 -0.000) 0.818 11.954 ( -0.818 0.000 -0.000) 0.818 11.968 ( -2.001 -0.000 0.000) 2.001 11.968 ( -2.001 0.000 0.000) 2.001 12.825 ( 2.782 -0.000 -0.000) 2.782 12.825 ( 2.782 0.000 0.000) 2.782 12.863 ( -0.695 -0.000 -0.000) 0.695 12.863 ( -0.695 0.000 0.000) 0.695 13.462 ( 3.089 0.000 -0.000) 3.089 13.462 ( 3.089 0.000 0.000) 3.089 13.523 ( -2.585 -0.000 -0.000) 2.585 13.523 ( -2.585 0.000 0.000) 2.585 14.180 ( 1.218 0.000 -0.000) 1.218 14.180 ( 1.218 0.000 0.000) 1.218 14.234 ( -3.882 0.000 -0.000) 3.882 14.234 ( -3.882 0.000 0.000) 3.882 14.957 ( 1.702 0.000 0.000) 1.702 14.957 ( 1.702 0.000 0.000) 1.702 14.962 ( 1.681 -0.000 -0.000) 1.681 14.962 ( 1.681 0.000 -0.000) 1.681 15.385 ( 3.735 0.000 -0.000) 3.735 15.385 ( 3.735 0.000 0.000) 3.735 15.469 ( -4.318 0.000 0.000) 4.318 15.469 ( -4.318 0.000 0.000) 4.318 16.123 ( -0.443 -0.000 0.000) 0.443 16.123 ( -0.443 0.000 0.000) 0.443 16.178 ( -5.575 0.000 -0.000) 5.575 16.178 ( -5.575 0.000 0.000) 5.575 21.610 ( -0.112 0.000 -0.000) 0.112 21.610 ( -0.112 0.000 0.000) 0.112 21.627 ( -1.821 -0.000 -0.000) 1.821 21.627 ( -1.821 0.000 0.000) 1.821 25.089 ( 0.249 0.000 -0.000) 0.249 25.089 ( 0.249 0.000 0.000) 0.249 25.104 ( -1.032 -0.000 -0.000) 1.032 25.104 ( -1.032 -0.000 0.000) 1.032 26.132 ( 6.215 0.000 0.000) 6.215 26.132 ( 6.215 0.000 0.000) 6.215 26.191 ( 1.043 0.000 0.000) 1.043 26.191 ( 1.043 0.000 0.000) 1.043 27.097 ( 2.589 0.000 -0.000) 2.589 27.097 ( 2.589 0.000 0.000) 2.589 27.158 ( -3.200 0.000 -0.000) 3.200 27.158 ( -3.200 0.000 0.000) 3.200 27.837 ( 0.980 -0.000 -0.000) 0.980 27.837 ( 0.980 0.000 0.000) 0.980 27.841 ( 0.123 -0.000 -0.000) 0.123 27.841 ( 0.123 0.000 0.000) 0.123 29.027 ( 2.996 -0.000 -0.000) 2.996 29.027 ( 2.996 -0.000 0.000) 2.996 29.079 ( -1.871 0.000 -0.000) 1.871 29.079 ( -1.871 0.000 0.000) 1.871 29.697 ( 3.313 0.000 -0.000) 3.313 29.697 ( 3.313 0.000 0.000) 3.313 29.780 ( -4.483 -0.000 0.000) 4.483 29.780 ( -4.483 0.000 0.000) 4.483 31.307 ( 4.099 0.000 0.000) 4.099 31.307 ( 4.099 0.000 0.000) 4.099 31.441 ( -9.002 0.000 0.000) 9.002 31.441 ( -9.002 0.000 0.000) 9.002 =================== 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 3/28512 10.0 204.665 266.603 344.826 0.000 0.000 0.000 3/28512 20.0 41.559 34.133 49.603 0.000 0.000 0.000 3/28512 30.0 16.862 12.683 19.272 0.000 0.000 0.000 3/28512 40.0 9.566 7.104 10.885 0.000 0.000 0.000 3/28512 50.0 6.491 4.799 7.338 0.000 0.000 0.000 3/28512 60.0 4.897 3.590 5.461 0.000 0.000 0.000 3/28512 70.0 3.950 2.860 4.324 0.000 0.000 0.000 3/28512 80.0 3.328 2.377 3.572 0.000 0.000 0.000 3/28512 90.0 2.890 2.036 3.042 0.000 0.000 0.000 3/28512 100.0 2.564 1.784 2.650 0.000 0.000 0.000 3/28512 110.0 2.311 1.591 2.350 0.000 0.000 0.000 3/28512 120.0 2.107 1.438 2.113 0.000 0.000 0.000 3/28512 130.0 1.941 1.314 1.921 0.000 0.000 0.000 3/28512 140.0 1.801 1.212 1.763 0.000 0.000 0.000 3/28512 150.0 1.682 1.126 1.630 0.000 0.000 0.000 3/28512 160.0 1.580 1.053 1.517 0.000 0.000 0.000 3/28512 170.0 1.490 0.989 1.419 0.000 0.000 0.000 3/28512 180.0 1.412 0.934 1.335 0.000 0.000 0.000 3/28512 190.0 1.343 0.885 1.260 0.000 0.000 0.000 3/28512 200.0 1.281 0.842 1.194 0.000 0.000 0.000 3/28512 210.0 1.225 0.803 1.135 0.000 0.000 0.000 3/28512 220.0 1.175 0.768 1.082 0.000 0.000 0.000 3/28512 230.0 1.130 0.737 1.034 0.000 0.000 0.000 3/28512 240.0 1.089 0.708 0.990 0.000 0.000 0.000 3/28512 250.0 1.051 0.682 0.951 0.000 0.000 0.000 3/28512 260.0 1.016 0.657 0.914 0.000 0.000 0.000 3/28512 270.0 0.984 0.635 0.881 0.000 0.000 0.000 3/28512 280.0 0.954 0.614 0.850 0.000 0.000 0.000 3/28512 290.0 0.927 0.595 0.822 0.000 0.000 0.000 3/28512 300.0 0.901 0.577 0.795 0.000 0.000 0.000 3/28512 310.0 0.877 0.560 0.770 0.000 0.000 0.000 3/28512 320.0 0.854 0.545 0.747 0.000 0.000 0.000 3/28512 330.0 0.833 0.530 0.725 0.000 0.000 0.000 3/28512 340.0 0.813 0.516 0.705 0.000 0.000 0.000 3/28512 350.0 0.794 0.503 0.686 0.000 0.000 0.000 3/28512 360.0 0.776 0.490 0.668 0.000 0.000 0.000 3/28512 370.0 0.758 0.478 0.651 0.000 0.000 0.000 3/28512 380.0 0.742 0.467 0.634 0.000 0.000 0.000 3/28512 390.0 0.727 0.457 0.619 0.000 0.000 0.000 3/28512 400.0 0.712 0.446 0.605 0.000 0.000 0.000 3/28512 410.0 0.698 0.437 0.591 0.000 0.000 0.000 3/28512 420.0 0.684 0.428 0.577 0.000 0.000 0.000 3/28512 430.0 0.671 0.419 0.565 0.000 0.000 0.000 3/28512 440.0 0.658 0.410 0.553 0.000 0.000 0.000 3/28512 450.0 0.646 0.402 0.541 0.000 0.000 0.000 3/28512 460.0 0.635 0.394 0.530 0.000 0.000 0.000 3/28512 470.0 0.624 0.387 0.520 0.000 0.000 0.000 3/28512 480.0 0.613 0.380 0.509 0.000 0.000 0.000 3/28512 490.0 0.603 0.373 0.500 0.000 0.000 0.000 3/28512 500.0 0.592 0.366 0.490 0.000 0.000 0.000 3/28512 510.0 0.583 0.359 0.481 0.000 0.000 0.000 3/28512 520.0 0.573 0.353 0.473 0.000 0.000 0.000 3/28512 530.0 0.564 0.347 0.464 0.000 0.000 0.000 3/28512 540.0 0.556 0.341 0.456 0.000 0.000 0.000 3/28512 550.0 0.547 0.336 0.448 0.000 0.000 0.000 3/28512 560.0 0.539 0.330 0.441 0.000 0.000 0.000 3/28512 570.0 0.531 0.325 0.433 0.000 0.000 0.000 3/28512 580.0 0.523 0.320 0.426 0.000 0.000 0.000 3/28512 590.0 0.515 0.315 0.420 0.000 0.000 0.000 3/28512 600.0 0.508 0.310 0.413 0.000 0.000 0.000 3/28512 610.0 0.501 0.306 0.407 0.000 0.000 0.000 3/28512 620.0 0.494 0.301 0.400 0.000 0.000 0.000 3/28512 630.0 0.487 0.297 0.394 0.000 0.000 0.000 3/28512 640.0 0.481 0.293 0.389 0.000 0.000 0.000 3/28512 650.0 0.474 0.288 0.383 0.000 0.000 0.000 3/28512 660.0 0.468 0.284 0.377 0.000 0.000 0.000 3/28512 670.0 0.462 0.280 0.372 0.000 0.000 0.000 3/28512 680.0 0.456 0.277 0.367 0.000 0.000 0.000 3/28512 690.0 0.450 0.273 0.362 0.000 0.000 0.000 3/28512 700.0 0.444 0.269 0.357 0.000 0.000 0.000 3/28512 710.0 0.439 0.266 0.352 0.000 0.000 0.000 3/28512 720.0 0.434 0.262 0.347 0.000 0.000 0.000 3/28512 730.0 0.428 0.259 0.343 0.000 0.000 0.000 3/28512 740.0 0.423 0.256 0.339 0.000 0.000 0.000 3/28512 750.0 0.418 0.253 0.334 0.000 0.000 0.000 3/28512 760.0 0.413 0.250 0.330 0.000 0.000 0.000 3/28512 770.0 0.409 0.247 0.326 0.000 0.000 0.000 3/28512 780.0 0.404 0.244 0.322 0.000 0.000 0.000 3/28512 790.0 0.399 0.241 0.318 0.000 0.000 0.000 3/28512 800.0 0.395 0.238 0.314 0.000 0.000 0.000 3/28512 810.0 0.390 0.235 0.311 0.000 0.000 0.000 3/28512 820.0 0.386 0.232 0.307 0.000 0.000 0.000 3/28512 830.0 0.382 0.230 0.303 0.000 0.000 0.000 3/28512 840.0 0.378 0.227 0.300 0.000 0.000 0.000 3/28512 850.0 0.374 0.225 0.296 0.000 0.000 0.000 3/28512 860.0 0.370 0.222 0.293 0.000 0.000 0.000 3/28512 870.0 0.366 0.220 0.290 0.000 0.000 0.000 3/28512 880.0 0.362 0.218 0.287 0.000 0.000 0.000 3/28512 890.0 0.358 0.215 0.284 0.000 0.000 0.000 3/28512 900.0 0.355 0.213 0.281 0.000 0.000 0.000 3/28512 910.0 0.351 0.211 0.278 0.000 0.000 0.000 3/28512 920.0 0.348 0.209 0.275 0.000 0.000 0.000 3/28512 930.0 0.344 0.206 0.272 0.000 0.000 0.000 3/28512 940.0 0.341 0.204 0.269 0.000 0.000 0.000 3/28512 950.0 0.338 0.202 0.266 0.000 0.000 0.000 3/28512 960.0 0.334 0.200 0.264 0.000 0.000 0.000 3/28512 970.0 0.331 0.198 0.261 0.000 0.000 0.000 3/28512 980.0 0.328 0.196 0.258 0.000 0.000 0.000 3/28512 990.0 0.325 0.195 0.256 0.000 0.000 0.000 3/28512 1000.0 0.322 0.193 0.253 0.000 0.000 0.000 3/28512 Thermal conductivity related properties were written into "kappa-m964.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:16:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|