----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:12:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682243699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): *1 Y 0.89186307708906 0.25000000000000 0.22021729800007 88.906 *2 Y 0.86416132475736 0.25000000000000 0.55551140322200 88.906 3 Y 0.63583867524264 0.75000000000000 0.05551140322200 88.906 4 Y 0.60813692291094 0.75000000000000 0.72021729800007 88.906 5 Y 0.39186307708906 0.25000000000000 0.27978270199993 88.906 6 Y 0.36416132475736 0.25000000000000 0.94448859677800 88.906 7 Y 0.13583867524264 0.75000000000000 0.44448859677800 88.906 8 Y 0.10813692291094 0.75000000000000 0.77978270199993 88.906 *9 Ge 0.82307852073386 0.25000000000000 0.87784989047326 72.640 10 Ge 0.67692147926614 0.75000000000000 0.37784989047326 72.640 11 Ge 0.32307852073386 0.25000000000000 0.62215010952674 72.640 12 Ge 0.17692147926614 0.75000000000000 0.12215010952674 72.640 *13 O 0.99148256645473 0.75000000000000 0.60450403965580 15.999 *14 O 0.98981574708567 0.25000000000000 0.84319913789548 15.999 *15 O 0.77635224224887 0.25000000000000 0.03696912430528 15.999 *16 O 0.76675349176080 0.75000000000000 0.88017048075326 15.999 *17 O 0.76004456296987 0.75000000000000 0.23003493057309 15.999 18 O 0.73995543703013 0.25000000000000 0.73003493057309 15.999 19 O 0.73324650823920 0.25000000000000 0.38017048075326 15.999 20 O 0.72364775775113 0.75000000000000 0.53696912430528 15.999 21 O 0.51018425291433 0.75000000000000 0.34319913789548 15.999 22 O 0.50851743354527 0.25000000000000 0.10450403965580 15.999 23 O 0.49148256645473 0.75000000000000 0.89549596034420 15.999 24 O 0.48981574708567 0.25000000000000 0.65680086210452 15.999 25 O 0.27635224224887 0.25000000000000 0.46303087569472 15.999 26 O 0.26675349176080 0.75000000000000 0.61982951924674 15.999 27 O 0.26004456296987 0.75000000000000 0.26996506942691 15.999 28 O 0.23995543703013 0.25000000000000 0.76996506942691 15.999 29 O 0.23324650823920 0.25000000000000 0.11982951924674 15.999 30 O 0.22364775775113 0.75000000000000 0.96303087569472 15.999 31 O 0.01018425291433 0.75000000000000 0.15680086210452 15.999 32 O 0.00851743354527 0.25000000000000 0.39549596034420 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682243699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): *1 Y 0.89186307708906 0.25000000000000 0.22021729800007 88.906 > 1 *2 Y 0.86416132475736 0.25000000000000 0.55551140322200 88.906 > 2 3 Y 0.63583867524264 0.75000000000000 0.05551140322200 88.906 > 3 4 Y 0.60813692291094 0.75000000000000 0.72021729800007 88.906 > 4 5 Y 0.39186307708906 0.25000000000000 0.27978270199993 88.906 > 5 6 Y 0.36416132475736 0.25000000000000 0.94448859677800 88.906 > 6 7 Y 0.13583867524264 0.75000000000000 0.44448859677800 88.906 > 7 8 Y 0.10813692291094 0.75000000000000 0.77978270199993 88.906 > 8 *9 Ge 0.82307852073386 0.25000000000000 0.87784989047326 72.640 > 9 10 Ge 0.67692147926614 0.75000000000000 0.37784989047326 72.640 > 10 11 Ge 0.32307852073386 0.25000000000000 0.62215010952674 72.640 > 11 12 Ge 0.17692147926614 0.75000000000000 0.12215010952674 72.640 > 12 *13 O 0.99148256645473 0.75000000000000 0.60450403965580 15.999 > 13 *14 O 0.98981574708567 0.25000000000000 0.84319913789548 15.999 > 14 *15 O 0.77635224224887 0.25000000000000 0.03696912430528 15.999 > 15 *16 O 0.76675349176080 0.75000000000000 0.88017048075326 15.999 > 16 *17 O 0.76004456296987 0.75000000000000 0.23003493057309 15.999 > 17 18 O 0.73995543703013 0.25000000000000 0.73003493057309 15.999 > 18 19 O 0.73324650823920 0.25000000000000 0.38017048075326 15.999 > 19 20 O 0.72364775775113 0.75000000000000 0.53696912430528 15.999 > 20 21 O 0.51018425291433 0.75000000000000 0.34319913789548 15.999 > 21 22 O 0.50851743354527 0.25000000000000 0.10450403965580 15.999 > 22 23 O 0.49148256645473 0.75000000000000 0.89549596034420 15.999 > 23 24 O 0.48981574708567 0.25000000000000 0.65680086210452 15.999 > 24 25 O 0.27635224224887 0.25000000000000 0.46303087569472 15.999 > 25 26 O 0.26675349176080 0.75000000000000 0.61982951924674 15.999 > 26 27 O 0.26004456296987 0.75000000000000 0.26996506942691 15.999 > 27 28 O 0.23995543703013 0.25000000000000 0.76996506942691 15.999 > 28 29 O 0.23324650823920 0.25000000000000 0.11982951924674 15.999 > 29 30 O 0.22364775775113 0.75000000000000 0.96303087569472 15.999 > 30 31 O 0.01018425291433 0.75000000000000 0.15680086210452 15.999 > 31 32 O 0.00851743354527 0.25000000000000 0.39549596034420 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.046731099999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): *1 Y 0.89186307708906 0.08333333333333 0.22021729800007 88.906 > 1 2 Y 0.89186307708906 0.41666666666667 0.22021729800007 88.906 > 1 3 Y 0.89186307708906 0.75000000000000 0.22021729800007 88.906 > 1 *4 Y 0.86416132475736 0.08333333333333 0.55551140322200 88.906 > 2 5 Y 0.86416132475736 0.41666666666667 0.55551140322200 88.906 > 2 6 Y 0.86416132475736 0.75000000000000 0.55551140322200 88.906 > 2 7 Y 0.63583867524264 0.25000000000000 0.05551140322200 88.906 > 3 8 Y 0.63583867524264 0.58333333333333 0.05551140322200 88.906 > 3 9 Y 0.63583867524264 0.91666666666667 0.05551140322200 88.906 > 3 10 Y 0.60813692291094 0.25000000000000 0.72021729800007 88.906 > 4 11 Y 0.60813692291094 0.58333333333333 0.72021729800007 88.906 > 4 12 Y 0.60813692291094 0.91666666666667 0.72021729800007 88.906 > 4 13 Y 0.39186307708906 0.08333333333333 0.27978270199993 88.906 > 5 14 Y 0.39186307708906 0.41666666666667 0.27978270199993 88.906 > 5 15 Y 0.39186307708906 0.75000000000000 0.27978270199993 88.906 > 5 16 Y 0.36416132475736 0.08333333333333 0.94448859677800 88.906 > 6 17 Y 0.36416132475736 0.41666666666667 0.94448859677800 88.906 > 6 18 Y 0.36416132475736 0.75000000000000 0.94448859677800 88.906 > 6 19 Y 0.13583867524264 0.25000000000000 0.44448859677800 88.906 > 7 20 Y 0.13583867524264 0.58333333333333 0.44448859677800 88.906 > 7 21 Y 0.13583867524264 0.91666666666667 0.44448859677800 88.906 > 7 22 Y 0.10813692291094 0.25000000000000 0.77978270199993 88.906 > 8 23 Y 0.10813692291094 0.58333333333333 0.77978270199993 88.906 > 8 24 Y 0.10813692291094 0.91666666666667 0.77978270199993 88.906 > 8 *25 Ge 0.82307852073386 0.08333333333333 0.87784989047326 72.640 > 9 26 Ge 0.82307852073386 0.41666666666667 0.87784989047326 72.640 > 9 27 Ge 0.82307852073386 0.75000000000000 0.87784989047326 72.640 > 9 28 Ge 0.67692147926614 0.25000000000000 0.37784989047326 72.640 > 10 29 Ge 0.67692147926614 0.58333333333333 0.37784989047326 72.640 > 10 30 Ge 0.67692147926614 0.91666666666667 0.37784989047326 72.640 > 10 31 Ge 0.32307852073386 0.08333333333333 0.62215010952674 72.640 > 11 32 Ge 0.32307852073386 0.41666666666667 0.62215010952674 72.640 > 11 33 Ge 0.32307852073386 0.75000000000000 0.62215010952674 72.640 > 11 34 Ge 0.17692147926614 0.25000000000000 0.12215010952674 72.640 > 12 35 Ge 0.17692147926614 0.58333333333333 0.12215010952674 72.640 > 12 36 Ge 0.17692147926614 0.91666666666667 0.12215010952674 72.640 > 12 *37 O 0.99148256645473 0.25000000000000 0.60450403965580 15.999 > 13 38 O 0.99148256645473 0.58333333333333 0.60450403965580 15.999 > 13 39 O 0.99148256645473 0.91666666666667 0.60450403965580 15.999 > 13 *40 O 0.98981574708567 0.08333333333333 0.84319913789548 15.999 > 14 41 O 0.98981574708567 0.41666666666667 0.84319913789548 15.999 > 14 42 O 0.98981574708567 0.75000000000000 0.84319913789548 15.999 > 14 *43 O 0.77635224224887 0.08333333333333 0.03696912430528 15.999 > 15 44 O 0.77635224224887 0.41666666666667 0.03696912430528 15.999 > 15 45 O 0.77635224224887 0.75000000000000 0.03696912430528 15.999 > 15 *46 O 0.76675349176080 0.25000000000000 0.88017048075326 15.999 > 16 47 O 0.76675349176080 0.58333333333333 0.88017048075326 15.999 > 16 48 O 0.76675349176080 0.91666666666667 0.88017048075326 15.999 > 16 *49 O 0.76004456296987 0.25000000000000 0.23003493057309 15.999 > 17 50 O 0.76004456296987 0.58333333333333 0.23003493057309 15.999 > 17 51 O 0.76004456296987 0.91666666666667 0.23003493057309 15.999 > 17 52 O 0.73995543703013 0.08333333333333 0.73003493057309 15.999 > 18 53 O 0.73995543703013 0.41666666666667 0.73003493057309 15.999 > 18 54 O 0.73995543703013 0.75000000000000 0.73003493057309 15.999 > 18 55 O 0.73324650823920 0.08333333333333 0.38017048075326 15.999 > 19 56 O 0.73324650823920 0.41666666666667 0.38017048075326 15.999 > 19 57 O 0.73324650823920 0.75000000000000 0.38017048075326 15.999 > 19 58 O 0.72364775775113 0.25000000000000 0.53696912430528 15.999 > 20 59 O 0.72364775775113 0.58333333333333 0.53696912430528 15.999 > 20 60 O 0.72364775775113 0.91666666666667 0.53696912430528 15.999 > 20 61 O 0.51018425291433 0.25000000000000 0.34319913789548 15.999 > 21 62 O 0.51018425291433 0.58333333333333 0.34319913789548 15.999 > 21 63 O 0.51018425291433 0.91666666666667 0.34319913789548 15.999 > 21 64 O 0.50851743354527 0.08333333333333 0.10450403965580 15.999 > 22 65 O 0.50851743354527 0.41666666666667 0.10450403965580 15.999 > 22 66 O 0.50851743354527 0.75000000000000 0.10450403965580 15.999 > 22 67 O 0.49148256645473 0.25000000000000 0.89549596034420 15.999 > 23 68 O 0.49148256645473 0.58333333333333 0.89549596034420 15.999 > 23 69 O 0.49148256645473 0.91666666666667 0.89549596034420 15.999 > 23 70 O 0.48981574708567 0.08333333333333 0.65680086210452 15.999 > 24 71 O 0.48981574708567 0.41666666666667 0.65680086210452 15.999 > 24 72 O 0.48981574708567 0.75000000000000 0.65680086210452 15.999 > 24 73 O 0.27635224224887 0.08333333333333 0.46303087569472 15.999 > 25 74 O 0.27635224224887 0.41666666666667 0.46303087569472 15.999 > 25 75 O 0.27635224224887 0.75000000000000 0.46303087569472 15.999 > 25 76 O 0.26675349176080 0.25000000000000 0.61982951924674 15.999 > 26 77 O 0.26675349176080 0.58333333333333 0.61982951924674 15.999 > 26 78 O 0.26675349176080 0.91666666666667 0.61982951924674 15.999 > 26 79 O 0.26004456296987 0.25000000000000 0.26996506942691 15.999 > 27 80 O 0.26004456296987 0.58333333333333 0.26996506942691 15.999 > 27 81 O 0.26004456296987 0.91666666666667 0.26996506942691 15.999 > 27 82 O 0.23995543703013 0.08333333333333 0.76996506942691 15.999 > 28 83 O 0.23995543703013 0.41666666666667 0.76996506942691 15.999 > 28 84 O 0.23995543703013 0.75000000000000 0.76996506942691 15.999 > 28 85 O 0.23324650823920 0.08333333333333 0.11982951924674 15.999 > 29 86 O 0.23324650823920 0.41666666666667 0.11982951924674 15.999 > 29 87 O 0.23324650823920 0.75000000000000 0.11982951924674 15.999 > 29 88 O 0.22364775775113 0.25000000000000 0.96303087569472 15.999 > 30 89 O 0.22364775775113 0.58333333333333 0.96303087569472 15.999 > 30 90 O 0.22364775775113 0.91666666666667 0.96303087569472 15.999 > 30 91 O 0.01018425291433 0.25000000000000 0.15680086210452 15.999 > 31 92 O 0.01018425291433 0.58333333333333 0.15680086210452 15.999 > 31 93 O 0.01018425291433 0.91666666666667 0.15680086210452 15.999 > 31 94 O 0.00851743354527 0.08333333333333 0.39549596034420 15.999 > 32 95 O 0.00851743354527 0.41666666666667 0.39549596034420 15.999 > 32 96 O 0.00851743354527 0.75000000000000 0.39549596034420 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9671899 0.0000000 0.0000000 0.0000000 4.1005703 0.0000000 0.0000000 0.0000000 4.0080912 -------------------------- Born effective charges -------------------------- 1 Y 3.9160710 0.0000000 0.2013405 0.0000000 3.8527783 0.0000000 0.4304601 0.0000000 3.7466374 2 Y 3.7079161 0.0000000 -0.2814115 0.0000000 3.8231482 0.0000000 -0.1213554 0.0000000 3.4920521 3 Y 3.7079161 0.0000000 0.2814115 0.0000000 3.8231482 0.0000000 0.1213554 0.0000000 3.4920521 4 Y 3.9160710 0.0000000 -0.2013405 0.0000000 3.8527783 0.0000000 -0.4304601 0.0000000 3.7466374 5 Y 3.9160710 0.0000000 -0.2013405 0.0000000 3.8527783 0.0000000 -0.4304601 0.0000000 3.7466374 6 Y 3.7079161 0.0000000 0.2814115 0.0000000 3.8231482 0.0000000 0.1213554 0.0000000 3.4920521 7 Y 3.7079161 0.0000000 -0.2814115 0.0000000 3.8231482 0.0000000 -0.1213554 0.0000000 3.4920521 8 Y 3.9160710 0.0000000 0.2013405 0.0000000 3.8527783 0.0000000 0.4304601 0.0000000 3.7466374 9 Ge 3.1728780 0.0000000 -0.1490489 0.0000000 4.2443919 0.0000000 -0.3421805 0.0000000 3.6601291 10 Ge 3.1728780 0.0000000 0.1490489 0.0000000 4.2443919 0.0000000 0.3421805 0.0000000 3.6601291 11 Ge 3.1728780 0.0000000 0.1490489 0.0000000 4.2443919 0.0000000 0.3421805 0.0000000 3.6601291 12 Ge 3.1728780 0.0000000 -0.1490489 0.0000000 4.2443919 0.0000000 -0.3421805 0.0000000 3.6601291 13 O -2.3962974 0.0000000 -0.1716283 0.0000000 -2.3545434 0.0000000 -0.2747926 0.0000000 -2.4578846 14 O -2.6960755 0.0000000 0.5019865 0.0000000 -2.1559957 0.0000000 0.3949686 0.0000000 -1.5154081 15 O -1.8820344 0.0000000 -0.1177221 0.0000000 -2.1838556 0.0000000 -0.0339168 0.0000000 -2.6861799 16 O -1.6694165 0.0000000 0.0693980 0.0000000 -2.9167617 0.0000000 0.1661846 0.0000000 -1.8254189 17 O -2.1530414 0.0000000 -0.0594179 0.0000000 -2.3091620 0.0000000 -0.0975351 0.0000000 -2.4139272 18 O -2.1530414 0.0000000 0.0594179 0.0000000 -2.3091620 0.0000000 0.0975351 0.0000000 -2.4139272 19 O -1.6694165 0.0000000 -0.0693980 0.0000000 -2.9167617 0.0000000 -0.1661846 0.0000000 -1.8254189 20 O -1.8820344 0.0000000 0.1177221 0.0000000 -2.1838556 0.0000000 0.0339168 0.0000000 -2.6861799 21 O -2.6960755 0.0000000 -0.5019865 0.0000000 -2.1559957 0.0000000 -0.3949686 0.0000000 -1.5154081 22 O -2.3962974 0.0000000 0.1716283 0.0000000 -2.3545434 0.0000000 0.2747926 0.0000000 -2.4578846 23 O -2.3962974 0.0000000 0.1716283 0.0000000 -2.3545434 0.0000000 0.2747926 0.0000000 -2.4578846 24 O -2.6960755 0.0000000 -0.5019865 0.0000000 -2.1559957 0.0000000 -0.3949686 0.0000000 -1.5154081 25 O -1.8820344 0.0000000 0.1177221 0.0000000 -2.1838556 0.0000000 0.0339168 0.0000000 -2.6861799 26 O -1.6694165 0.0000000 -0.0693980 0.0000000 -2.9167617 0.0000000 -0.1661846 0.0000000 -1.8254189 27 O -2.1530414 0.0000000 0.0594179 0.0000000 -2.3091620 0.0000000 0.0975351 0.0000000 -2.4139272 28 O -2.1530414 0.0000000 -0.0594179 0.0000000 -2.3091620 0.0000000 -0.0975351 0.0000000 -2.4139272 29 O -1.6694165 0.0000000 0.0693980 0.0000000 -2.9167617 0.0000000 0.1661846 0.0000000 -1.8254189 30 O -1.8820344 0.0000000 -0.1177221 0.0000000 -2.1838556 0.0000000 -0.0339168 0.0000000 -2.6861799 31 O -2.6960755 0.0000000 0.5019865 0.0000000 -2.1559957 0.0000000 0.3949686 0.0000000 -1.5154081 32 O -2.3962974 0.0000000 -0.1716283 0.0000000 -2.3545434 0.0000000 -0.2747926 0.0000000 -2.4578846 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.613 Solver_block: 200 / 480 - Time: 2.583 Solver_block: 300 / 480 - Time: 2.582 Solver_block: 400 / 480 - Time: 2.575 Solver_block: 480 / 480 - Time: 2.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.516 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:13:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:13:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682243699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): 1 Y 0.89186307708906 0.25000000000000 0.22021729800007 88.906 2 Y 0.86416132475736 0.25000000000000 0.55551140322200 88.906 3 Y 0.63583867524264 0.75000000000000 0.05551140322200 88.906 4 Y 0.60813692291094 0.75000000000000 0.72021729800007 88.906 5 Y 0.39186307708906 0.25000000000000 0.27978270199993 88.906 6 Y 0.36416132475736 0.25000000000000 0.94448859677800 88.906 7 Y 0.13583867524264 0.75000000000000 0.44448859677800 88.906 8 Y 0.10813692291094 0.75000000000000 0.77978270199993 88.906 9 Ge 0.82307852073386 0.25000000000000 0.87784989047326 72.640 10 Ge 0.67692147926614 0.75000000000000 0.37784989047326 72.640 11 Ge 0.32307852073386 0.25000000000000 0.62215010952674 72.640 12 Ge 0.17692147926614 0.75000000000000 0.12215010952674 72.640 13 O 0.99148256645473 0.75000000000000 0.60450403965580 15.999 14 O 0.98981574708567 0.25000000000000 0.84319913789548 15.999 15 O 0.77635224224887 0.25000000000000 0.03696912430528 15.999 16 O 0.76675349176080 0.75000000000000 0.88017048075326 15.999 17 O 0.76004456296987 0.75000000000000 0.23003493057309 15.999 18 O 0.73995543703013 0.25000000000000 0.73003493057309 15.999 19 O 0.73324650823920 0.25000000000000 0.38017048075326 15.999 20 O 0.72364775775113 0.75000000000000 0.53696912430528 15.999 21 O 0.51018425291433 0.75000000000000 0.34319913789548 15.999 22 O 0.50851743354527 0.25000000000000 0.10450403965580 15.999 23 O 0.49148256645473 0.75000000000000 0.89549596034420 15.999 24 O 0.48981574708567 0.25000000000000 0.65680086210452 15.999 25 O 0.27635224224887 0.25000000000000 0.46303087569472 15.999 26 O 0.26675349176080 0.75000000000000 0.61982951924674 15.999 27 O 0.26004456296987 0.75000000000000 0.26996506942691 15.999 28 O 0.23995543703013 0.25000000000000 0.76996506942691 15.999 29 O 0.23324650823920 0.25000000000000 0.11982951924674 15.999 30 O 0.22364775775113 0.75000000000000 0.96303087569472 15.999 31 O 0.01018425291433 0.75000000000000 0.15680086210452 15.999 32 O 0.00851743354527 0.25000000000000 0.39549596034420 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.046731099999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): 1 Y 0.89186307708906 0.08333333333333 0.22021729800007 88.906 > 1 2 Y 0.89186307708906 0.41666666666667 0.22021729800007 88.906 > 1 3 Y 0.89186307708906 0.75000000000000 0.22021729800007 88.906 > 1 4 Y 0.86416132475736 0.08333333333333 0.55551140322200 88.906 > 4 5 Y 0.86416132475736 0.41666666666667 0.55551140322200 88.906 > 4 6 Y 0.86416132475736 0.75000000000000 0.55551140322200 88.906 > 4 7 Y 0.63583867524264 0.25000000000000 0.05551140322200 88.906 > 7 8 Y 0.63583867524264 0.58333333333333 0.05551140322200 88.906 > 7 9 Y 0.63583867524264 0.91666666666667 0.05551140322200 88.906 > 7 10 Y 0.60813692291094 0.25000000000000 0.72021729800007 88.906 > 10 11 Y 0.60813692291094 0.58333333333333 0.72021729800007 88.906 > 10 12 Y 0.60813692291094 0.91666666666667 0.72021729800007 88.906 > 10 13 Y 0.39186307708906 0.08333333333333 0.27978270199993 88.906 > 13 14 Y 0.39186307708906 0.41666666666667 0.27978270199993 88.906 > 13 15 Y 0.39186307708906 0.75000000000000 0.27978270199993 88.906 > 13 16 Y 0.36416132475736 0.08333333333333 0.94448859677800 88.906 > 16 17 Y 0.36416132475736 0.41666666666667 0.94448859677800 88.906 > 16 18 Y 0.36416132475736 0.75000000000000 0.94448859677800 88.906 > 16 19 Y 0.13583867524264 0.25000000000000 0.44448859677800 88.906 > 19 20 Y 0.13583867524264 0.58333333333333 0.44448859677800 88.906 > 19 21 Y 0.13583867524264 0.91666666666667 0.44448859677800 88.906 > 19 22 Y 0.10813692291094 0.25000000000000 0.77978270199993 88.906 > 22 23 Y 0.10813692291094 0.58333333333333 0.77978270199993 88.906 > 22 24 Y 0.10813692291094 0.91666666666667 0.77978270199993 88.906 > 22 25 Ge 0.82307852073386 0.08333333333333 0.87784989047326 72.640 > 25 26 Ge 0.82307852073386 0.41666666666667 0.87784989047326 72.640 > 25 27 Ge 0.82307852073386 0.75000000000000 0.87784989047326 72.640 > 25 28 Ge 0.67692147926614 0.25000000000000 0.37784989047326 72.640 > 28 29 Ge 0.67692147926614 0.58333333333333 0.37784989047326 72.640 > 28 30 Ge 0.67692147926614 0.91666666666667 0.37784989047326 72.640 > 28 31 Ge 0.32307852073386 0.08333333333333 0.62215010952674 72.640 > 31 32 Ge 0.32307852073386 0.41666666666667 0.62215010952674 72.640 > 31 33 Ge 0.32307852073386 0.75000000000000 0.62215010952674 72.640 > 31 34 Ge 0.17692147926614 0.25000000000000 0.12215010952674 72.640 > 34 35 Ge 0.17692147926614 0.58333333333333 0.12215010952674 72.640 > 34 36 Ge 0.17692147926614 0.91666666666667 0.12215010952674 72.640 > 34 37 O 0.99148256645473 0.25000000000000 0.60450403965580 15.999 > 37 38 O 0.99148256645473 0.58333333333333 0.60450403965580 15.999 > 37 39 O 0.99148256645473 0.91666666666667 0.60450403965580 15.999 > 37 40 O 0.98981574708567 0.08333333333333 0.84319913789548 15.999 > 40 41 O 0.98981574708567 0.41666666666667 0.84319913789548 15.999 > 40 42 O 0.98981574708567 0.75000000000000 0.84319913789548 15.999 > 40 43 O 0.77635224224887 0.08333333333333 0.03696912430528 15.999 > 43 44 O 0.77635224224887 0.41666666666667 0.03696912430528 15.999 > 43 45 O 0.77635224224887 0.75000000000000 0.03696912430528 15.999 > 43 46 O 0.76675349176080 0.25000000000000 0.88017048075326 15.999 > 46 47 O 0.76675349176080 0.58333333333333 0.88017048075326 15.999 > 46 48 O 0.76675349176080 0.91666666666667 0.88017048075326 15.999 > 46 49 O 0.76004456296987 0.25000000000000 0.23003493057309 15.999 > 49 50 O 0.76004456296987 0.58333333333333 0.23003493057309 15.999 > 49 51 O 0.76004456296987 0.91666666666667 0.23003493057309 15.999 > 49 52 O 0.73995543703013 0.08333333333333 0.73003493057309 15.999 > 52 53 O 0.73995543703013 0.41666666666667 0.73003493057309 15.999 > 52 54 O 0.73995543703013 0.75000000000000 0.73003493057309 15.999 > 52 55 O 0.73324650823920 0.08333333333333 0.38017048075326 15.999 > 55 56 O 0.73324650823920 0.41666666666667 0.38017048075326 15.999 > 55 57 O 0.73324650823920 0.75000000000000 0.38017048075326 15.999 > 55 58 O 0.72364775775113 0.25000000000000 0.53696912430528 15.999 > 58 59 O 0.72364775775113 0.58333333333333 0.53696912430528 15.999 > 58 60 O 0.72364775775113 0.91666666666667 0.53696912430528 15.999 > 58 61 O 0.51018425291433 0.25000000000000 0.34319913789548 15.999 > 61 62 O 0.51018425291433 0.58333333333333 0.34319913789548 15.999 > 61 63 O 0.51018425291433 0.91666666666667 0.34319913789548 15.999 > 61 64 O 0.50851743354527 0.08333333333333 0.10450403965580 15.999 > 64 65 O 0.50851743354527 0.41666666666667 0.10450403965580 15.999 > 64 66 O 0.50851743354527 0.75000000000000 0.10450403965580 15.999 > 64 67 O 0.49148256645473 0.25000000000000 0.89549596034420 15.999 > 67 68 O 0.49148256645473 0.58333333333333 0.89549596034420 15.999 > 67 69 O 0.49148256645473 0.91666666666667 0.89549596034420 15.999 > 67 70 O 0.48981574708567 0.08333333333333 0.65680086210452 15.999 > 70 71 O 0.48981574708567 0.41666666666667 0.65680086210452 15.999 > 70 72 O 0.48981574708567 0.75000000000000 0.65680086210452 15.999 > 70 73 O 0.27635224224887 0.08333333333333 0.46303087569472 15.999 > 73 74 O 0.27635224224887 0.41666666666667 0.46303087569472 15.999 > 73 75 O 0.27635224224887 0.75000000000000 0.46303087569472 15.999 > 73 76 O 0.26675349176080 0.25000000000000 0.61982951924674 15.999 > 76 77 O 0.26675349176080 0.58333333333333 0.61982951924674 15.999 > 76 78 O 0.26675349176080 0.91666666666667 0.61982951924674 15.999 > 76 79 O 0.26004456296987 0.25000000000000 0.26996506942691 15.999 > 79 80 O 0.26004456296987 0.58333333333333 0.26996506942691 15.999 > 79 81 O 0.26004456296987 0.91666666666667 0.26996506942691 15.999 > 79 82 O 0.23995543703013 0.08333333333333 0.76996506942691 15.999 > 82 83 O 0.23995543703013 0.41666666666667 0.76996506942691 15.999 > 82 84 O 0.23995543703013 0.75000000000000 0.76996506942691 15.999 > 82 85 O 0.23324650823920 0.08333333333333 0.11982951924674 15.999 > 85 86 O 0.23324650823920 0.41666666666667 0.11982951924674 15.999 > 85 87 O 0.23324650823920 0.75000000000000 0.11982951924674 15.999 > 85 88 O 0.22364775775113 0.25000000000000 0.96303087569472 15.999 > 88 89 O 0.22364775775113 0.58333333333333 0.96303087569472 15.999 > 88 90 O 0.22364775775113 0.91666666666667 0.96303087569472 15.999 > 88 91 O 0.01018425291433 0.25000000000000 0.15680086210452 15.999 > 91 92 O 0.01018425291433 0.58333333333333 0.15680086210452 15.999 > 91 93 O 0.01018425291433 0.91666666666667 0.15680086210452 15.999 > 91 94 O 0.00851743354527 0.08333333333333 0.39549596034420 15.999 > 94 95 O 0.00851743354527 0.41666666666667 0.39549596034420 15.999 > 94 96 O 0.00851743354527 0.75000000000000 0.39549596034420 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9671899 0.0000000 0.0000000 0.0000000 4.1005703 0.0000000 0.0000000 0.0000000 4.0080912 -------------------------- Born effective charges -------------------------- 1 Y 3.9160710 0.0000000 0.2013405 0.0000000 3.8527783 0.0000000 0.4304601 0.0000000 3.7466374 2 Y 3.7079161 0.0000000 -0.2814115 0.0000000 3.8231482 0.0000000 -0.1213554 0.0000000 3.4920521 3 Y 3.7079161 0.0000000 0.2814115 0.0000000 3.8231482 0.0000000 0.1213554 0.0000000 3.4920521 4 Y 3.9160710 0.0000000 -0.2013405 0.0000000 3.8527783 0.0000000 -0.4304601 0.0000000 3.7466374 5 Y 3.9160710 0.0000000 -0.2013405 0.0000000 3.8527783 0.0000000 -0.4304601 0.0000000 3.7466374 6 Y 3.7079161 0.0000000 0.2814115 0.0000000 3.8231482 0.0000000 0.1213554 0.0000000 3.4920521 7 Y 3.7079161 0.0000000 -0.2814115 0.0000000 3.8231482 0.0000000 -0.1213554 0.0000000 3.4920521 8 Y 3.9160710 0.0000000 0.2013405 0.0000000 3.8527783 0.0000000 0.4304601 0.0000000 3.7466374 9 Ge 3.1728780 0.0000000 -0.1490489 0.0000000 4.2443919 0.0000000 -0.3421805 0.0000000 3.6601291 10 Ge 3.1728780 0.0000000 0.1490489 0.0000000 4.2443919 0.0000000 0.3421805 0.0000000 3.6601291 11 Ge 3.1728780 0.0000000 0.1490489 0.0000000 4.2443919 0.0000000 0.3421805 0.0000000 3.6601291 12 Ge 3.1728780 0.0000000 -0.1490489 0.0000000 4.2443919 0.0000000 -0.3421805 0.0000000 3.6601291 13 O -2.3962974 0.0000000 -0.1716283 0.0000000 -2.3545434 0.0000000 -0.2747926 0.0000000 -2.4578846 14 O -2.6960755 0.0000000 0.5019865 0.0000000 -2.1559957 0.0000000 0.3949686 0.0000000 -1.5154081 15 O -1.8820344 0.0000000 -0.1177221 0.0000000 -2.1838556 0.0000000 -0.0339168 0.0000000 -2.6861799 16 O -1.6694165 0.0000000 0.0693980 0.0000000 -2.9167617 0.0000000 0.1661846 0.0000000 -1.8254189 17 O -2.1530414 0.0000000 -0.0594179 0.0000000 -2.3091620 0.0000000 -0.0975351 0.0000000 -2.4139272 18 O -2.1530414 0.0000000 0.0594179 0.0000000 -2.3091620 0.0000000 0.0975351 0.0000000 -2.4139272 19 O -1.6694165 0.0000000 -0.0693980 0.0000000 -2.9167617 0.0000000 -0.1661846 0.0000000 -1.8254189 20 O -1.8820344 0.0000000 0.1177221 0.0000000 -2.1838556 0.0000000 0.0339168 0.0000000 -2.6861799 21 O -2.6960755 0.0000000 -0.5019865 0.0000000 -2.1559957 0.0000000 -0.3949686 0.0000000 -1.5154081 22 O -2.3962974 0.0000000 0.1716283 0.0000000 -2.3545434 0.0000000 0.2747926 0.0000000 -2.4578846 23 O -2.3962974 0.0000000 0.1716283 0.0000000 -2.3545434 0.0000000 0.2747926 0.0000000 -2.4578846 24 O -2.6960755 0.0000000 -0.5019865 0.0000000 -2.1559957 0.0000000 -0.3949686 0.0000000 -1.5154081 25 O -1.8820344 0.0000000 0.1177221 0.0000000 -2.1838556 0.0000000 0.0339168 0.0000000 -2.6861799 26 O -1.6694165 0.0000000 -0.0693980 0.0000000 -2.9167617 0.0000000 -0.1661846 0.0000000 -1.8254189 27 O -2.1530414 0.0000000 0.0594179 0.0000000 -2.3091620 0.0000000 0.0975351 0.0000000 -2.4139272 28 O -2.1530414 0.0000000 -0.0594179 0.0000000 -2.3091620 0.0000000 -0.0975351 0.0000000 -2.4139272 29 O -1.6694165 0.0000000 0.0693980 0.0000000 -2.9167617 0.0000000 0.1661846 0.0000000 -1.8254189 30 O -1.8820344 0.0000000 -0.1177221 0.0000000 -2.1838556 0.0000000 -0.0339168 0.0000000 -2.6861799 31 O -2.6960755 0.0000000 0.5019865 0.0000000 -2.1559957 0.0000000 0.3949686 0.0000000 -1.5154081 32 O -2.3962974 0.0000000 -0.1716283 0.0000000 -2.3545434 0.0000000 -0.2747926 0.0000000 -2.4578846 ---------------------------------------------------------------------------- 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[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 40, 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[ 43, 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[ 46, 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[ 49, 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-09 01:13:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:13:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.682243699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): 1 Y 0.89186307708906 0.25000000000000 0.22021729800007 88.906 2 Y 0.86416132475736 0.25000000000000 0.55551140322200 88.906 3 Y 0.63583867524264 0.75000000000000 0.05551140322200 88.906 4 Y 0.60813692291094 0.75000000000000 0.72021729800007 88.906 5 Y 0.39186307708906 0.25000000000000 0.27978270199993 88.906 6 Y 0.36416132475736 0.25000000000000 0.94448859677800 88.906 7 Y 0.13583867524264 0.75000000000000 0.44448859677800 88.906 8 Y 0.10813692291094 0.75000000000000 0.77978270199993 88.906 9 Ge 0.82307852073386 0.25000000000000 0.87784989047326 72.640 10 Ge 0.67692147926614 0.75000000000000 0.37784989047326 72.640 11 Ge 0.32307852073386 0.25000000000000 0.62215010952674 72.640 12 Ge 0.17692147926614 0.75000000000000 0.12215010952674 72.640 13 O 0.99148256645473 0.75000000000000 0.60450403965580 15.999 14 O 0.98981574708567 0.25000000000000 0.84319913789548 15.999 15 O 0.77635224224887 0.25000000000000 0.03696912430528 15.999 16 O 0.76675349176080 0.75000000000000 0.88017048075326 15.999 17 O 0.76004456296987 0.75000000000000 0.23003493057309 15.999 18 O 0.73995543703013 0.25000000000000 0.73003493057309 15.999 19 O 0.73324650823920 0.25000000000000 0.38017048075326 15.999 20 O 0.72364775775113 0.75000000000000 0.53696912430528 15.999 21 O 0.51018425291433 0.75000000000000 0.34319913789548 15.999 22 O 0.50851743354527 0.25000000000000 0.10450403965580 15.999 23 O 0.49148256645473 0.75000000000000 0.89549596034420 15.999 24 O 0.48981574708567 0.25000000000000 0.65680086210452 15.999 25 O 0.27635224224887 0.25000000000000 0.46303087569472 15.999 26 O 0.26675349176080 0.75000000000000 0.61982951924674 15.999 27 O 0.26004456296987 0.75000000000000 0.26996506942691 15.999 28 O 0.23995543703013 0.25000000000000 0.76996506942691 15.999 29 O 0.23324650823920 0.25000000000000 0.11982951924674 15.999 30 O 0.22364775775113 0.75000000000000 0.96303087569472 15.999 31 O 0.01018425291433 0.75000000000000 0.15680086210452 15.999 32 O 0.00851743354527 0.25000000000000 0.39549596034420 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.229819230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.046731099999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.982599290000000 Atomic positions (fractional): 1 Y 0.89186307708906 0.08333333333333 0.22021729800007 88.906 > 1 2 Y 0.89186307708906 0.41666666666667 0.22021729800007 88.906 > 1 3 Y 0.89186307708906 0.75000000000000 0.22021729800007 88.906 > 1 4 Y 0.86416132475736 0.08333333333333 0.55551140322200 88.906 > 4 5 Y 0.86416132475736 0.41666666666667 0.55551140322200 88.906 > 4 6 Y 0.86416132475736 0.75000000000000 0.55551140322200 88.906 > 4 7 Y 0.63583867524264 0.25000000000000 0.05551140322200 88.906 > 7 8 Y 0.63583867524264 0.58333333333333 0.05551140322200 88.906 > 7 9 Y 0.63583867524264 0.91666666666667 0.05551140322200 88.906 > 7 10 Y 0.60813692291094 0.25000000000000 0.72021729800007 88.906 > 10 11 Y 0.60813692291094 0.58333333333333 0.72021729800007 88.906 > 10 12 Y 0.60813692291094 0.91666666666667 0.72021729800007 88.906 > 10 13 Y 0.39186307708906 0.08333333333333 0.27978270199993 88.906 > 13 14 Y 0.39186307708906 0.41666666666667 0.27978270199993 88.906 > 13 15 Y 0.39186307708906 0.75000000000000 0.27978270199993 88.906 > 13 16 Y 0.36416132475736 0.08333333333333 0.94448859677800 88.906 > 16 17 Y 0.36416132475736 0.41666666666667 0.94448859677800 88.906 > 16 18 Y 0.36416132475736 0.75000000000000 0.94448859677800 88.906 > 16 19 Y 0.13583867524264 0.25000000000000 0.44448859677800 88.906 > 19 20 Y 0.13583867524264 0.58333333333333 0.44448859677800 88.906 > 19 21 Y 0.13583867524264 0.91666666666667 0.44448859677800 88.906 > 19 22 Y 0.10813692291094 0.25000000000000 0.77978270199993 88.906 > 22 23 Y 0.10813692291094 0.58333333333333 0.77978270199993 88.906 > 22 24 Y 0.10813692291094 0.91666666666667 0.77978270199993 88.906 > 22 25 Ge 0.82307852073386 0.08333333333333 0.87784989047326 72.640 > 25 26 Ge 0.82307852073386 0.41666666666667 0.87784989047326 72.640 > 25 27 Ge 0.82307852073386 0.75000000000000 0.87784989047326 72.640 > 25 28 Ge 0.67692147926614 0.25000000000000 0.37784989047326 72.640 > 28 29 Ge 0.67692147926614 0.58333333333333 0.37784989047326 72.640 > 28 30 Ge 0.67692147926614 0.91666666666667 0.37784989047326 72.640 > 28 31 Ge 0.32307852073386 0.08333333333333 0.62215010952674 72.640 > 31 32 Ge 0.32307852073386 0.41666666666667 0.62215010952674 72.640 > 31 33 Ge 0.32307852073386 0.75000000000000 0.62215010952674 72.640 > 31 34 Ge 0.17692147926614 0.25000000000000 0.12215010952674 72.640 > 34 35 Ge 0.17692147926614 0.58333333333333 0.12215010952674 72.640 > 34 36 Ge 0.17692147926614 0.91666666666667 0.12215010952674 72.640 > 34 37 O 0.99148256645473 0.25000000000000 0.60450403965580 15.999 > 37 38 O 0.99148256645473 0.58333333333333 0.60450403965580 15.999 > 37 39 O 0.99148256645473 0.91666666666667 0.60450403965580 15.999 > 37 40 O 0.98981574708567 0.08333333333333 0.84319913789548 15.999 > 40 41 O 0.98981574708567 0.41666666666667 0.84319913789548 15.999 > 40 42 O 0.98981574708567 0.75000000000000 0.84319913789548 15.999 > 40 43 O 0.77635224224887 0.08333333333333 0.03696912430528 15.999 > 43 44 O 0.77635224224887 0.41666666666667 0.03696912430528 15.999 > 43 45 O 0.77635224224887 0.75000000000000 0.03696912430528 15.999 > 43 46 O 0.76675349176080 0.25000000000000 0.88017048075326 15.999 > 46 47 O 0.76675349176080 0.58333333333333 0.88017048075326 15.999 > 46 48 O 0.76675349176080 0.91666666666667 0.88017048075326 15.999 > 46 49 O 0.76004456296987 0.25000000000000 0.23003493057309 15.999 > 49 50 O 0.76004456296987 0.58333333333333 0.23003493057309 15.999 > 49 51 O 0.76004456296987 0.91666666666667 0.23003493057309 15.999 > 49 52 O 0.73995543703013 0.08333333333333 0.73003493057309 15.999 > 52 53 O 0.73995543703013 0.41666666666667 0.73003493057309 15.999 > 52 54 O 0.73995543703013 0.75000000000000 0.73003493057309 15.999 > 52 55 O 0.73324650823920 0.08333333333333 0.38017048075326 15.999 > 55 56 O 0.73324650823920 0.41666666666667 0.38017048075326 15.999 > 55 57 O 0.73324650823920 0.75000000000000 0.38017048075326 15.999 > 55 58 O 0.72364775775113 0.25000000000000 0.53696912430528 15.999 > 58 59 O 0.72364775775113 0.58333333333333 0.53696912430528 15.999 > 58 60 O 0.72364775775113 0.91666666666667 0.53696912430528 15.999 > 58 61 O 0.51018425291433 0.25000000000000 0.34319913789548 15.999 > 61 62 O 0.51018425291433 0.58333333333333 0.34319913789548 15.999 > 61 63 O 0.51018425291433 0.91666666666667 0.34319913789548 15.999 > 61 64 O 0.50851743354527 0.08333333333333 0.10450403965580 15.999 > 64 65 O 0.50851743354527 0.41666666666667 0.10450403965580 15.999 > 64 66 O 0.50851743354527 0.75000000000000 0.10450403965580 15.999 > 64 67 O 0.49148256645473 0.25000000000000 0.89549596034420 15.999 > 67 68 O 0.49148256645473 0.58333333333333 0.89549596034420 15.999 > 67 69 O 0.49148256645473 0.91666666666667 0.89549596034420 15.999 > 67 70 O 0.48981574708567 0.08333333333333 0.65680086210452 15.999 > 70 71 O 0.48981574708567 0.41666666666667 0.65680086210452 15.999 > 70 72 O 0.48981574708567 0.75000000000000 0.65680086210452 15.999 > 70 73 O 0.27635224224887 0.08333333333333 0.46303087569472 15.999 > 73 74 O 0.27635224224887 0.41666666666667 0.46303087569472 15.999 > 73 75 O 0.27635224224887 0.75000000000000 0.46303087569472 15.999 > 73 76 O 0.26675349176080 0.25000000000000 0.61982951924674 15.999 > 76 77 O 0.26675349176080 0.58333333333333 0.61982951924674 15.999 > 76 78 O 0.26675349176080 0.91666666666667 0.61982951924674 15.999 > 76 79 O 0.26004456296987 0.25000000000000 0.26996506942691 15.999 > 79 80 O 0.26004456296987 0.58333333333333 0.26996506942691 15.999 > 79 81 O 0.26004456296987 0.91666666666667 0.26996506942691 15.999 > 79 82 O 0.23995543703013 0.08333333333333 0.76996506942691 15.999 > 82 83 O 0.23995543703013 0.41666666666667 0.76996506942691 15.999 > 82 84 O 0.23995543703013 0.75000000000000 0.76996506942691 15.999 > 82 85 O 0.23324650823920 0.08333333333333 0.11982951924674 15.999 > 85 86 O 0.23324650823920 0.41666666666667 0.11982951924674 15.999 > 85 87 O 0.23324650823920 0.75000000000000 0.11982951924674 15.999 > 85 88 O 0.22364775775113 0.25000000000000 0.96303087569472 15.999 > 88 89 O 0.22364775775113 0.58333333333333 0.96303087569472 15.999 > 88 90 O 0.22364775775113 0.91666666666667 0.96303087569472 15.999 > 88 91 O 0.01018425291433 0.25000000000000 0.15680086210452 15.999 > 91 92 O 0.01018425291433 0.58333333333333 0.15680086210452 15.999 > 91 93 O 0.01018425291433 0.91666666666667 0.15680086210452 15.999 > 91 94 O 0.00851743354527 0.08333333333333 0.39549596034420 15.999 > 94 95 O 0.00851743354527 0.41666666666667 0.39549596034420 15.999 > 94 96 O 0.00851743354527 0.75000000000000 0.39549596034420 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9671899 0.0000000 0.0000000 0.0000000 4.1005703 0.0000000 0.0000000 0.0000000 4.0080912 -------------------------- Born effective charges -------------------------- 1 Y 3.9160710 0.0000000 0.2013405 0.0000000 3.8527783 0.0000000 0.4304601 0.0000000 3.7466374 2 Y 3.7079161 0.0000000 -0.2814115 0.0000000 3.8231482 0.0000000 -0.1213554 0.0000000 3.4920521 3 Y 3.7079161 0.0000000 0.2814115 0.0000000 3.8231482 0.0000000 0.1213554 0.0000000 3.4920521 4 Y 3.9160710 0.0000000 -0.2013405 0.0000000 3.8527783 0.0000000 -0.4304601 0.0000000 3.7466374 5 Y 3.9160710 0.0000000 -0.2013405 0.0000000 3.8527783 0.0000000 -0.4304601 0.0000000 3.7466374 6 Y 3.7079161 0.0000000 0.2814115 0.0000000 3.8231482 0.0000000 0.1213554 0.0000000 3.4920521 7 Y 3.7079161 0.0000000 -0.2814115 0.0000000 3.8231482 0.0000000 -0.1213554 0.0000000 3.4920521 8 Y 3.9160710 0.0000000 0.2013405 0.0000000 3.8527783 0.0000000 0.4304601 0.0000000 3.7466374 9 Ge 3.1728780 0.0000000 -0.1490489 0.0000000 4.2443919 0.0000000 -0.3421805 0.0000000 3.6601291 10 Ge 3.1728780 0.0000000 0.1490489 0.0000000 4.2443919 0.0000000 0.3421805 0.0000000 3.6601291 11 Ge 3.1728780 0.0000000 0.1490489 0.0000000 4.2443919 0.0000000 0.3421805 0.0000000 3.6601291 12 Ge 3.1728780 0.0000000 -0.1490489 0.0000000 4.2443919 0.0000000 -0.3421805 0.0000000 3.6601291 13 O -2.3962974 0.0000000 -0.1716283 0.0000000 -2.3545434 0.0000000 -0.2747926 0.0000000 -2.4578846 14 O -2.6960755 0.0000000 0.5019865 0.0000000 -2.1559957 0.0000000 0.3949686 0.0000000 -1.5154081 15 O -1.8820344 0.0000000 -0.1177221 0.0000000 -2.1838556 0.0000000 -0.0339168 0.0000000 -2.6861799 16 O -1.6694165 0.0000000 0.0693980 0.0000000 -2.9167617 0.0000000 0.1661846 0.0000000 -1.8254189 17 O -2.1530414 0.0000000 -0.0594179 0.0000000 -2.3091620 0.0000000 -0.0975351 0.0000000 -2.4139272 18 O -2.1530414 0.0000000 0.0594179 0.0000000 -2.3091620 0.0000000 0.0975351 0.0000000 -2.4139272 19 O -1.6694165 0.0000000 -0.0693980 0.0000000 -2.9167617 0.0000000 -0.1661846 0.0000000 -1.8254189 20 O -1.8820344 0.0000000 0.1177221 0.0000000 -2.1838556 0.0000000 0.0339168 0.0000000 -2.6861799 21 O -2.6960755 0.0000000 -0.5019865 0.0000000 -2.1559957 0.0000000 -0.3949686 0.0000000 -1.5154081 22 O -2.3962974 0.0000000 0.1716283 0.0000000 -2.3545434 0.0000000 0.2747926 0.0000000 -2.4578846 23 O -2.3962974 0.0000000 0.1716283 0.0000000 -2.3545434 0.0000000 0.2747926 0.0000000 -2.4578846 24 O -2.6960755 0.0000000 -0.5019865 0.0000000 -2.1559957 0.0000000 -0.3949686 0.0000000 -1.5154081 25 O -1.8820344 0.0000000 0.1177221 0.0000000 -2.1838556 0.0000000 0.0339168 0.0000000 -2.6861799 26 O -1.6694165 0.0000000 -0.0693980 0.0000000 -2.9167617 0.0000000 -0.1661846 0.0000000 -1.8254189 27 O -2.1530414 0.0000000 0.0594179 0.0000000 -2.3091620 0.0000000 0.0975351 0.0000000 -2.4139272 28 O -2.1530414 0.0000000 -0.0594179 0.0000000 -2.3091620 0.0000000 -0.0975351 0.0000000 -2.4139272 29 O -1.6694165 0.0000000 0.0693980 0.0000000 -2.9167617 0.0000000 0.1661846 0.0000000 -1.8254189 30 O -1.8820344 0.0000000 -0.1177221 0.0000000 -2.1838556 0.0000000 -0.0339168 0.0000000 -2.6861799 31 O -2.6960755 0.0000000 0.5019865 0.0000000 -2.1559957 0.0000000 0.3949686 0.0000000 -1.5154081 32 O -2.3962974 0.0000000 -0.1716283 0.0000000 -2.3545434 0.0000000 -0.2747926 0.0000000 -2.4578846 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.508 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.831 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 11.177 ( 0.000 0.000 0.000) 0.000 11.399 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 11.964 ( 0.000 0.000 0.000) 0.000 12.540 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.395 ( 0.000 0.000 0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 14.500 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.232 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 16.153 ( 0.000 0.000 0.000) 0.000 18.376 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 18.688 ( 0.000 0.000 0.000) 0.000 19.179 ( 0.000 0.000 0.000) 0.000 19.197 ( 0.000 0.000 0.000) 0.000 19.199 ( 0.000 0.000 0.000) 0.000 19.209 ( 0.000 0.000 0.000) 0.000 19.581 ( 0.000 0.000 0.000) 0.000 19.835 ( 0.000 0.000 0.000) 0.000 20.371 ( 0.000 0.000 0.000) 0.000 20.976 ( 0.000 0.000 0.000) 0.000 21.044 ( 0.000 0.000 0.000) 0.000 22.692 ( 0.000 0.000 0.000) 0.000 23.244 ( 0.000 0.000 0.000) 0.000 23.293 ( 0.000 0.000 0.000) 0.000 23.859 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 34.786 0.000 0.000) 34.786 0.784 ( 39.683 0.000 0.000) 39.683 1.222 ( 60.505 0.000 0.000) 60.505 2.439 ( -7.876 0.000 0.000) 7.876 2.691 ( 2.153 0.000 0.000) 2.153 2.716 ( -7.404 0.000 0.000) 7.404 2.833 ( -25.231 0.000 0.000) 25.231 3.072 ( 5.599 0.000 0.000) 5.599 3.290 ( 2.920 0.000 0.000) 2.920 3.326 ( 0.983 0.000 0.000) 0.983 3.521 ( -19.801 0.000 0.000) 19.801 3.971 ( -9.429 0.000 0.000) 9.429 4.000 ( -11.930 0.000 0.000) 11.930 4.096 ( -10.408 0.000 0.000) 10.408 4.165 ( 7.117 0.000 0.000) 7.117 4.361 ( 8.911 0.000 0.000) 8.911 4.415 ( 11.065 0.000 0.000) 11.065 4.454 ( 18.290 0.000 0.000) 18.290 4.620 ( 9.512 0.000 0.000) 9.512 4.894 ( -5.233 0.000 0.000) 5.233 4.905 ( 2.042 0.000 0.000) 2.042 5.004 ( 0.605 0.000 0.000) 0.605 5.056 ( -3.931 0.000 0.000) 3.931 5.082 ( 8.864 0.000 0.000) 8.864 5.310 ( -4.386 0.000 0.000) 4.386 5.597 ( -21.299 0.000 0.000) 21.299 5.633 ( 13.423 0.000 0.000) 13.423 6.065 ( -6.657 0.000 0.000) 6.657 6.456 ( -18.964 0.000 0.000) 18.964 6.522 ( -16.942 0.000 0.000) 16.942 7.013 ( 6.789 0.000 0.000) 6.789 7.082 ( 11.457 0.000 0.000) 11.457 7.102 ( 12.933 0.000 0.000) 12.933 7.157 ( -2.093 0.000 0.000) 2.093 7.365 ( 13.021 0.000 0.000) 13.021 7.399 ( 9.599 0.000 0.000) 9.599 7.459 ( -2.189 0.000 0.000) 2.189 7.785 ( 12.981 0.000 0.000) 12.981 8.005 ( -13.773 0.000 0.000) 13.773 8.319 ( -3.998 0.000 0.000) 3.998 8.598 ( 0.329 0.000 0.000) 0.329 8.628 ( -0.383 0.000 0.000) 0.383 8.693 ( 3.777 0.000 0.000) 3.777 8.796 ( -1.373 0.000 0.000) 1.373 9.142 ( -4.285 0.000 0.000) 4.285 9.517 ( 0.922 0.000 0.000) 0.922 9.596 ( -12.260 0.000 0.000) 12.260 9.712 ( -6.098 0.000 0.000) 6.098 9.985 ( 5.901 0.000 0.000) 5.901 10.026 ( 9.014 0.000 0.000) 9.014 10.308 ( 2.533 0.000 0.000) 2.533 10.448 ( -0.695 0.000 0.000) 0.695 10.469 ( -2.561 0.000 0.000) 2.561 10.750 ( -4.955 0.000 0.000) 4.955 10.772 ( -14.919 0.000 0.000) 14.919 10.799 ( -3.016 0.000 0.000) 3.016 10.988 ( -0.307 0.000 0.000) 0.307 11.012 ( 5.369 0.000 0.000) 5.369 11.175 ( -0.333 0.000 0.000) 0.333 11.286 ( -7.872 0.000 0.000) 7.872 11.571 ( 4.267 0.000 0.000) 4.267 11.581 ( 0.989 0.000 0.000) 0.989 11.857 ( 11.978 0.000 0.000) 11.978 11.906 ( 17.262 0.000 0.000) 17.262 12.538 ( -0.097 0.000 0.000) 0.097 12.612 ( 2.394 0.000 0.000) 2.394 13.102 ( -5.474 0.000 0.000) 5.474 13.393 ( -0.032 0.000 0.000) 0.032 13.394 ( -0.061 0.000 0.000) 0.061 13.453 ( -14.050 0.000 0.000) 14.050 13.832 ( 0.102 0.000 0.000) 0.102 13.840 ( -0.081 0.000 0.000) 0.081 14.227 ( 6.750 0.000 0.000) 6.750 14.500 ( -0.414 0.000 0.000) 0.414 15.148 ( 0.379 0.000 0.000) 0.379 15.215 ( -0.460 0.000 0.000) 0.460 15.246 ( 1.331 0.000 0.000) 1.331 15.307 ( 0.049 0.000 0.000) 0.049 16.078 ( 0.144 0.000 0.000) 0.144 16.138 ( -1.314 0.000 0.000) 1.314 18.409 ( 3.326 0.000 0.000) 3.326 18.664 ( -2.494 0.000 0.000) 2.494 19.179 ( 0.042 0.000 0.000) 0.042 19.193 ( -0.330 0.000 0.000) 0.330 19.201 ( 0.235 0.000 0.000) 0.235 19.210 ( 0.059 0.000 0.000) 0.059 19.591 ( 0.964 0.000 0.000) 0.964 19.628 ( -0.017 0.000 0.000) 0.017 19.886 ( 5.044 0.000 0.000) 5.044 20.333 ( -4.117 0.000 0.000) 4.117 20.929 ( -3.738 0.000 0.000) 3.738 21.115 ( -7.264 0.000 0.000) 7.264 22.781 ( 8.159 0.000 0.000) 8.159 23.251 ( -4.163 0.000 0.000) 4.163 23.918 ( 5.395 0.000 0.000) 5.395 24.232 ( -2.630 0.000 0.000) 2.630 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 32.751 0.000 0.000) 32.751 1.543 ( 37.730 0.000 0.000) 37.730 1.909 ( -17.715 0.000 0.000) 17.715 2.246 ( -33.707 0.000 0.000) 33.707 2.407 ( 27.709 0.000 0.000) 27.709 2.620 ( -2.685 0.000 0.000) 2.685 2.924 ( 23.349 0.000 0.000) 23.349 3.212 ( 7.709 0.000 0.000) 7.709 3.266 ( -4.415 0.000 0.000) 4.415 3.287 ( -3.725 0.000 0.000) 3.725 3.315 ( -1.563 0.000 0.000) 1.563 3.682 ( -37.643 0.000 0.000) 37.643 3.808 ( -5.603 0.000 0.000) 5.603 3.817 ( -5.485 0.000 0.000) 5.485 4.267 ( 4.756 0.000 0.000) 4.756 4.437 ( -16.241 0.000 0.000) 16.241 4.512 ( 6.178 0.000 0.000) 6.178 4.570 ( 1.909 0.000 0.000) 1.909 4.777 ( 8.243 0.000 0.000) 8.243 4.813 ( 18.886 0.000 0.000) 18.886 4.943 ( -7.576 0.000 0.000) 7.576 5.014 ( 8.626 0.000 0.000) 8.626 5.149 ( -12.235 0.000 0.000) 12.235 5.186 ( -8.052 0.000 0.000) 8.052 5.403 ( 20.163 0.000 0.000) 20.163 5.487 ( 15.812 0.000 0.000) 15.812 5.825 ( 0.190 0.000 0.000) 0.190 5.840 ( -15.224 0.000 0.000) 15.224 6.119 ( -9.470 0.000 0.000) 9.470 6.219 ( -12.595 0.000 0.000) 12.595 7.072 ( 1.097 0.000 0.000) 1.097 7.101 ( -2.231 0.000 0.000) 2.231 7.268 ( 6.569 0.000 0.000) 6.569 7.347 ( 0.262 0.000 0.000) 0.262 7.410 ( 11.954 0.000 0.000) 11.954 7.604 ( 5.702 0.000 0.000) 5.702 7.637 ( 9.238 0.000 0.000) 9.238 7.735 ( -11.249 0.000 0.000) 11.249 8.032 ( 8.025 0.000 0.000) 8.025 8.163 ( -8.960 0.000 0.000) 8.960 8.607 ( 0.558 0.000 0.000) 0.558 8.618 ( -0.592 0.000 0.000) 0.592 8.753 ( -1.056 0.000 0.000) 1.056 8.755 ( 1.146 0.000 0.000) 1.146 9.123 ( 3.951 0.000 0.000) 3.951 9.313 ( -14.375 0.000 0.000) 14.375 9.548 ( 2.323 0.000 0.000) 2.323 9.611 ( -4.184 0.000 0.000) 4.184 10.160 ( 11.991 0.000 0.000) 11.991 10.207 ( 9.176 0.000 0.000) 9.176 10.360 ( -1.158 0.000 0.000) 1.158 10.382 ( -2.751 0.000 0.000) 2.751 10.423 ( -1.954 0.000 0.000) 1.954 10.445 ( -16.600 0.000 0.000) 16.600 10.697 ( -0.121 0.000 0.000) 0.121 10.733 ( -3.186 0.000 0.000) 3.186 11.037 ( 4.334 0.000 0.000) 4.334 11.102 ( 3.733 0.000 0.000) 3.733 11.144 ( -6.479 0.000 0.000) 6.479 11.156 ( -1.767 0.000 0.000) 1.767 11.607 ( 1.151 0.000 0.000) 1.151 11.614 ( 0.678 0.000 0.000) 0.678 12.102 ( 10.752 0.000 0.000) 10.752 12.180 ( 5.967 0.000 0.000) 5.967 12.571 ( 5.240 0.000 0.000) 5.240 12.650 ( 0.121 0.000 0.000) 0.121 13.009 ( -1.627 0.000 0.000) 1.627 13.145 ( -14.816 0.000 0.000) 14.816 13.392 ( -0.004 0.000 0.000) 0.004 13.393 ( -0.053 0.000 0.000) 0.053 13.835 ( 0.155 0.000 0.000) 0.155 13.838 ( -0.142 0.000 0.000) 0.142 14.362 ( 6.419 0.000 0.000) 6.419 14.463 ( -3.651 0.000 0.000) 3.651 15.167 ( 1.511 0.000 0.000) 1.511 15.198 ( -1.348 0.000 0.000) 1.348 15.277 ( 1.575 0.000 0.000) 1.575 15.301 ( -0.799 0.000 0.000) 0.799 16.086 ( 0.778 0.000 0.000) 0.778 16.109 ( -1.477 0.000 0.000) 1.477 18.495 ( 5.101 0.000 0.000) 5.101 18.593 ( -4.557 0.000 0.000) 4.557 19.181 ( 0.196 0.000 0.000) 0.196 19.186 ( -0.336 0.000 0.000) 0.336 19.206 ( 0.250 0.000 0.000) 0.250 19.210 ( -0.106 0.000 0.000) 0.106 19.612 ( 0.972 0.000 0.000) 0.972 19.625 ( -0.337 0.000 0.000) 0.337 20.024 ( 8.797 0.000 0.000) 8.797 20.205 ( -8.704 0.000 0.000) 8.704 20.889 ( 0.748 0.000 0.000) 0.748 20.966 ( -6.698 0.000 0.000) 6.698 22.965 ( 9.700 0.000 0.000) 9.700 23.136 ( -7.472 0.000 0.000) 7.472 24.041 ( 6.539 0.000 0.000) 6.539 24.156 ( -5.024 0.000 0.000) 5.024 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 40.627 0.000) 40.627 0.840 ( 0.000 42.679 0.000) 42.679 1.327 ( 0.000 66.949 0.000) 66.949 2.544 ( 0.000 12.522 0.000) 12.522 2.771 ( 0.000 -2.595 0.000) 2.595 2.843 ( 0.000 7.279 0.000) 7.279 3.079 ( 0.000 4.369 0.000) 4.369 3.290 ( 0.000 11.344 0.000) 11.344 3.302 ( 0.000 7.932 0.000) 7.932 3.430 ( 0.000 14.284 0.000) 14.284 3.883 ( 0.000 -4.752 0.000) 4.752 3.901 ( 0.000 5.514 0.000) 5.514 3.981 ( 0.000 -10.423 0.000) 10.423 4.139 ( 0.000 0.935 0.000) 0.935 4.171 ( 0.000 1.336 0.000) 1.336 4.265 ( 0.000 6.953 0.000) 6.953 4.462 ( 0.000 21.936 0.000) 21.936 4.515 ( 0.000 5.294 0.000) 5.294 4.632 ( 0.000 17.713 0.000) 17.713 4.878 ( 0.000 16.594 0.000) 16.594 5.005 ( 0.000 13.126 0.000) 13.126 5.226 ( 0.000 4.714 0.000) 4.714 5.229 ( 0.000 17.301 0.000) 17.301 5.248 ( 0.000 10.453 0.000) 10.453 5.451 ( 0.000 0.214 0.000) 0.214 5.512 ( 0.000 15.893 0.000) 15.893 6.014 ( 0.000 5.443 0.000) 5.443 6.168 ( 0.000 5.161 0.000) 5.161 6.587 ( 0.000 -2.869 0.000) 2.869 6.699 ( 0.000 3.084 0.000) 3.084 6.878 ( 0.000 4.708 0.000) 4.708 6.980 ( 0.000 -0.049 0.000) 0.049 7.008 ( 0.000 2.158 0.000) 2.158 7.082 ( 0.000 2.919 0.000) 2.919 7.095 ( 0.000 3.312 0.000) 3.312 7.370 ( 0.000 7.054 0.000) 7.054 7.532 ( 0.000 -0.796 0.000) 0.796 7.575 ( 0.000 -5.649 0.000) 5.649 8.040 ( 0.000 -2.906 0.000) 2.906 8.214 ( 0.000 -0.771 0.000) 0.771 8.508 ( 0.000 -13.047 0.000) 13.047 8.571 ( 0.000 -2.218 0.000) 2.218 8.844 ( 0.000 -8.545 0.000) 8.545 8.901 ( 0.000 8.991 0.000) 8.991 9.056 ( 0.000 -10.388 0.000) 10.388 9.134 ( 0.000 7.193 0.000) 7.193 9.654 ( 0.000 7.689 0.000) 7.689 9.849 ( 0.000 -3.889 0.000) 3.889 10.041 ( 0.000 11.164 0.000) 11.164 10.260 ( 0.000 -1.412 0.000) 1.412 10.272 ( 0.000 -6.236 0.000) 6.236 10.513 ( 0.000 -6.473 0.000) 6.473 10.548 ( 0.000 6.959 0.000) 6.959 10.781 ( 0.000 -4.666 0.000) 4.666 10.851 ( 0.000 3.206 0.000) 3.206 10.853 ( 0.000 -6.890 0.000) 6.890 11.134 ( 0.000 17.321 0.000) 17.321 11.191 ( 0.000 1.865 0.000) 1.865 11.379 ( 0.000 -3.525 0.000) 3.525 11.536 ( 0.000 5.569 0.000) 5.569 11.664 ( 0.000 1.502 0.000) 1.502 11.674 ( 0.000 -6.489 0.000) 6.489 11.699 ( 0.000 8.146 0.000) 8.146 11.869 ( 0.000 -11.113 0.000) 11.113 12.243 ( 0.000 -26.840 0.000) 26.840 12.349 ( 0.000 -21.208 0.000) 21.208 12.711 ( 0.000 -29.470 0.000) 29.470 13.105 ( 0.000 -19.740 0.000) 19.740 13.475 ( 0.000 -6.858 0.000) 6.858 13.626 ( 0.000 9.537 0.000) 9.537 13.917 ( 0.000 13.022 0.000) 13.022 13.945 ( 0.000 6.080 0.000) 6.080 14.589 ( 0.000 10.285 0.000) 10.285 14.820 ( 0.000 22.974 0.000) 22.974 15.260 ( 0.000 3.163 0.000) 3.163 15.290 ( 0.000 13.199 0.000) 13.199 15.296 ( 0.000 -0.791 0.000) 0.791 15.677 ( 0.000 -1.491 0.000) 1.491 16.133 ( 0.000 -1.720 0.000) 1.720 17.540 ( 0.000 -4.988 0.000) 4.988 18.315 ( 0.000 -27.137 0.000) 27.137 18.368 ( 0.000 -1.681 0.000) 1.681 18.617 ( 0.000 -37.942 0.000) 37.942 18.653 ( 0.000 -8.577 0.000) 8.577 18.901 ( 0.000 -20.143 0.000) 20.143 19.333 ( 0.000 -30.120 0.000) 30.120 19.448 ( 0.000 15.207 0.000) 15.207 20.093 ( 0.000 29.142 0.000) 29.142 20.420 ( 0.000 21.747 0.000) 21.747 20.631 ( 0.000 21.389 0.000) 21.389 20.957 ( 0.000 -1.493 0.000) 1.493 21.121 ( 0.000 7.463 0.000) 7.463 22.696 ( 0.000 0.406 0.000) 0.406 23.193 ( 0.000 -4.991 0.000) 4.991 23.239 ( 0.000 -5.421 0.000) 5.421 23.771 ( 0.000 -8.835 0.000) 8.835 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 26.068 25.566 0.000) 36.512 1.076 ( 21.367 32.507 0.000) 38.901 1.804 ( 38.392 48.250 0.000) 61.660 2.550 ( -8.045 11.306 0.000) 13.876 2.699 ( -6.663 0.676 0.000) 6.697 2.761 ( 2.691 8.256 0.000) 8.683 2.991 ( -22.950 13.175 0.000) 26.463 3.143 ( 5.831 4.752 0.000) 7.522 3.364 ( 1.415 5.340 0.000) 5.524 3.429 ( 1.135 11.062 0.000) 11.121 3.545 ( -16.602 4.207 0.000) 17.126 3.830 ( -11.662 -7.145 0.000) 13.676 3.951 ( -5.021 2.724 0.000) 5.712 4.287 ( 4.821 7.462 0.000) 8.884 4.322 ( 2.933 9.261 0.000) 9.715 4.361 ( 14.139 0.896 0.000) 14.168 4.437 ( -0.374 7.482 0.000) 7.492 4.577 ( 8.170 13.046 0.000) 15.393 4.685 ( 3.480 6.653 0.000) 7.508 4.954 ( 4.480 7.529 0.000) 8.761 5.048 ( -17.044 8.051 0.000) 18.850 5.181 ( -5.727 11.815 0.000) 13.130 5.188 ( 15.632 20.698 0.000) 25.938 5.246 ( 7.677 14.811 0.000) 16.682 5.445 ( -3.909 12.188 0.000) 12.799 5.643 ( -21.548 5.210 0.000) 22.169 5.665 ( 13.427 5.333 0.000) 14.447 6.158 ( -4.530 8.957 0.000) 10.038 6.455 ( -12.976 1.220 0.000) 13.033 6.544 ( -16.611 2.685 0.000) 16.827 7.020 ( 5.050 0.755 0.000) 5.106 7.042 ( 12.170 -1.187 0.000) 12.228 7.094 ( 11.851 -0.756 0.000) 11.875 7.134 ( 1.454 1.593 0.000) 2.157 7.362 ( 11.315 -0.048 0.000) 11.315 7.446 ( 7.238 4.639 0.000) 8.597 7.459 ( 0.097 0.281 0.000) 0.297 7.713 ( 11.419 -6.302 0.000) 13.043 7.961 ( -10.183 -2.820 0.000) 10.566 8.204 ( 0.394 -4.626 0.000) 4.643 8.422 ( -5.335 -11.053 0.000) 12.273 8.552 ( -2.473 -4.436 0.000) 5.079 8.869 ( 1.328 -1.439 0.000) 1.958 8.897 ( -0.200 7.614 0.000) 7.616 9.060 ( 1.012 -4.622 0.000) 4.732 9.264 ( 8.297 -3.556 0.000) 9.027 9.636 ( -1.462 7.272 0.000) 7.418 9.822 ( -3.399 -2.664 0.000) 4.319 10.079 ( 3.258 8.113 0.000) 8.742 10.220 ( -6.229 -3.274 0.000) 7.037 10.288 ( 2.742 -1.891 0.000) 3.331 10.419 ( -6.270 0.950 0.000) 6.341 10.531 ( -1.355 8.404 0.000) 8.512 10.746 ( -3.058 -4.016 0.000) 5.048 10.756 ( -3.372 0.886 0.000) 3.486 10.960 ( 4.738 -4.330 0.000) 6.418 11.026 ( -6.441 12.939 0.000) 14.454 11.175 ( -1.928 2.819 0.000) 3.415 11.305 ( -5.970 1.088 0.000) 6.069 11.435 ( -27.282 17.603 0.000) 32.468 11.589 ( -0.171 0.620 0.000) 0.644 11.594 ( 1.601 1.390 0.000) 2.121 11.807 ( 11.456 -6.076 0.000) 12.968 11.973 ( 17.564 6.134 0.000) 18.604 12.236 ( -0.351 -27.206 0.000) 27.209 12.377 ( 2.589 -20.419 0.000) 20.583 12.695 ( -1.498 -28.770 0.000) 28.809 13.042 ( -4.678 -23.310 0.000) 23.775 13.526 ( -1.160 -2.153 0.000) 2.445 13.555 ( -6.141 6.578 0.000) 8.999 13.877 ( -1.592 10.469 0.000) 10.590 13.953 ( 0.371 7.217 0.000) 7.226 14.597 ( 0.272 10.456 0.000) 10.459 14.667 ( -10.039 27.985 0.000) 29.731 15.269 ( 0.836 2.562 0.000) 2.695 15.297 ( 0.697 2.313 0.000) 2.415 15.315 ( 2.012 12.140 0.000) 12.306 15.603 ( -6.265 13.533 0.000) 14.912 16.117 ( -1.527 -1.990 0.000) 2.508 16.428 ( -38.374 31.747 0.000) 49.804 18.367 ( 3.169 -9.022 0.000) 9.562 18.580 ( 5.960 -32.097 0.000) 32.646 18.606 ( -1.701 -27.325 0.000) 27.378 18.643 ( -0.532 -18.488 0.000) 18.496 18.903 ( 0.155 -20.436 0.000) 20.437 18.999 ( -7.203 -17.214 0.000) 18.661 19.900 ( 15.495 5.593 0.000) 16.473 20.103 ( 0.954 29.639 0.000) 29.654 20.247 ( -6.605 30.093 0.000) 30.809 20.590 ( -4.852 20.513 0.000) 21.079 20.910 ( -3.286 -1.110 0.000) 3.468 21.132 ( -4.827 3.427 0.000) 5.920 22.755 ( 7.297 -2.029 0.000) 7.574 23.199 ( -3.961 -5.203 0.000) 6.539 23.746 ( 22.721 -29.579 0.000) 37.298 23.821 ( 4.502 -9.606 0.000) 10.609 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 27.118 20.730 0.000) 34.134 1.667 ( 33.374 11.866 0.000) 35.421 2.093 ( -21.143 16.115 0.000) 26.584 2.334 ( -30.834 7.372 0.000) 31.703 2.601 ( 19.108 18.802 0.000) 26.807 2.725 ( -2.596 10.744 0.000) 11.054 3.030 ( 25.748 11.955 0.000) 28.388 3.296 ( 9.377 6.068 0.000) 11.169 3.334 ( -3.145 8.025 0.000) 8.619 3.344 ( -2.905 6.489 0.000) 7.110 3.442 ( -2.524 10.727 0.000) 11.020 3.565 ( -16.759 -4.615 0.000) 17.382 3.848 ( -2.645 5.888 0.000) 6.455 4.047 ( -23.851 18.161 0.000) 29.978 4.374 ( 3.662 8.203 0.000) 8.983 4.478 ( -7.009 3.888 0.000) 8.015 4.557 ( 6.567 5.172 0.000) 8.359 4.627 ( -0.744 5.650 0.000) 5.699 4.816 ( 14.004 1.020 0.000) 14.041 4.861 ( 2.029 7.154 0.000) 7.436 5.057 ( -4.951 11.205 0.000) 12.250 5.107 ( 9.468 9.912 0.000) 13.707 5.215 ( -13.679 6.590 0.000) 15.184 5.300 ( -7.976 11.262 0.000) 13.800 5.552 ( 17.239 13.793 0.000) 22.078 5.622 ( 14.953 13.719 0.000) 20.293 5.888 ( 6.296 7.159 0.000) 9.534 5.977 ( -12.821 13.878 0.000) 18.894 6.178 ( -11.134 6.584 0.000) 12.935 6.239 ( -12.463 2.330 0.000) 12.679 7.075 ( 1.832 0.530 0.000) 1.907 7.114 ( -1.935 1.655 0.000) 2.546 7.245 ( 7.038 -1.985 0.000) 7.312 7.303 ( 4.006 -4.796 0.000) 6.249 7.419 ( 6.681 1.191 0.000) 6.786 7.573 ( 0.567 -3.189 0.000) 3.239 7.622 ( 8.152 -0.921 0.000) 8.204 7.736 ( -8.845 0.594 0.000) 8.865 7.964 ( 11.055 -6.252 0.000) 12.701 8.129 ( -7.263 -3.008 0.000) 7.861 8.391 ( 1.609 -12.510 0.000) 12.613 8.464 ( -5.578 -8.586 0.000) 10.239 8.891 ( 0.928 1.513 0.000) 1.775 8.900 ( 0.129 4.843 0.000) 4.844 9.140 ( 8.036 5.053 0.000) 9.493 9.310 ( -5.113 2.301 0.000) 5.607 9.619 ( 0.396 4.379 0.000) 4.397 9.689 ( -7.614 2.152 0.000) 7.912 10.133 ( -0.203 -2.194 0.000) 2.203 10.134 ( 1.487 -0.017 0.000) 1.487 10.335 ( 0.949 -3.987 0.000) 4.098 10.352 ( -1.579 -0.679 0.000) 1.719 10.553 ( 5.355 15.565 0.000) 16.461 10.675 ( -4.599 2.436 0.000) 5.204 10.735 ( 1.642 3.833 0.000) 4.170 10.868 ( -11.665 16.454 0.000) 20.170 11.024 ( 1.601 -5.679 0.000) 5.901 11.052 ( -3.917 1.473 0.000) 4.184 11.195 ( -1.385 5.312 0.000) 5.489 11.208 ( -3.029 4.771 0.000) 5.651 11.607 ( 1.111 0.002 0.000) 1.111 11.616 ( 0.341 0.236 0.000) 0.415 12.024 ( 9.318 -11.303 0.000) 14.649 12.148 ( -2.801 -13.434 0.000) 13.723 12.365 ( 12.291 -8.505 0.000) 14.947 12.433 ( 2.290 -17.117 0.000) 17.270 12.688 ( 3.529 -26.324 0.000) 26.560 12.890 ( -11.913 -21.427 0.000) 24.516 13.428 ( -4.001 4.165 0.000) 5.776 13.440 ( -4.389 2.588 0.000) 5.096 13.904 ( 2.772 5.261 0.000) 5.946 13.946 ( -1.254 6.996 0.000) 7.108 14.569 ( -0.685 19.071 0.000) 19.084 14.586 ( -1.298 12.464 0.000) 12.531 15.288 ( 0.974 1.317 0.000) 1.638 15.302 ( -0.297 0.248 0.000) 0.387 15.384 ( 4.772 19.315 0.000) 19.896 15.487 ( -5.479 22.745 0.000) 23.396 16.086 ( -1.080 -2.187 0.000) 2.439 16.106 ( -4.608 2.810 0.000) 5.397 18.449 ( 4.867 -10.119 0.000) 11.228 18.543 ( -4.375 -13.558 0.000) 14.246 18.635 ( 0.952 -32.097 0.000) 32.111 18.641 ( 0.052 -30.529 0.000) 30.529 18.909 ( 0.513 -20.838 0.000) 20.845 18.928 ( -1.656 -20.365 0.000) 20.432 20.116 ( 4.517 25.461 0.000) 25.859 20.123 ( 0.899 30.691 0.000) 30.704 20.219 ( 6.233 16.614 0.000) 17.745 20.426 ( -11.166 15.487 0.000) 19.092 20.895 ( 2.462 2.334 0.000) 3.392 20.996 ( -7.186 4.155 0.000) 8.301 22.927 ( 9.214 -3.630 0.000) 9.903 23.090 ( -7.111 -4.594 0.000) 8.466 23.914 ( 4.133 -12.249 0.000) 12.927 23.947 ( 1.970 -18.528 0.000) 18.633 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 0.000 39.532 0.000) 39.532 1.643 ( 0.000 39.754 0.000) 39.754 2.553 ( 0.000 56.323 0.000) 56.323 2.788 ( 0.000 4.920 0.000) 4.920 2.899 ( 0.000 25.650 0.000) 25.650 3.037 ( 0.000 12.309 0.000) 12.309 3.125 ( 0.000 0.977 0.000) 0.977 3.505 ( 0.000 12.185 0.000) 12.185 3.528 ( 0.000 12.612 0.000) 12.612 3.678 ( 0.000 3.466 0.000) 3.466 3.870 ( 0.000 2.954 0.000) 2.954 3.933 ( 0.000 11.077 0.000) 11.077 4.057 ( 0.000 9.222 0.000) 9.222 4.197 ( 0.000 4.384 0.000) 4.384 4.207 ( 0.000 1.997 0.000) 1.997 4.513 ( 0.000 18.661 0.000) 18.661 4.642 ( 0.000 6.276 0.000) 6.276 4.871 ( 0.000 8.198 0.000) 8.198 4.874 ( 0.000 18.275 0.000) 18.275 5.163 ( 0.000 8.266 0.000) 8.266 5.394 ( 0.000 1.402 0.000) 1.402 5.419 ( 0.000 25.995 0.000) 25.995 5.425 ( 0.000 17.830 0.000) 17.830 5.614 ( 0.000 20.671 0.000) 20.671 5.638 ( 0.000 22.978 0.000) 22.978 5.928 ( 0.000 25.044 0.000) 25.044 6.184 ( 0.000 12.140 0.000) 12.140 6.259 ( 0.000 3.759 0.000) 3.759 6.507 ( 0.000 -4.797 0.000) 4.797 6.859 ( 0.000 14.355 0.000) 14.355 6.992 ( 0.000 1.357 0.000) 1.357 7.012 ( 0.000 8.824 0.000) 8.824 7.095 ( 0.000 7.320 0.000) 7.320 7.155 ( 0.000 4.473 0.000) 4.473 7.204 ( 0.000 8.235 0.000) 8.235 7.470 ( 0.000 -3.710 0.000) 3.710 7.520 ( 0.000 -0.052 0.000) 0.052 7.552 ( 0.000 10.498 0.000) 10.498 7.957 ( 0.000 -5.644 0.000) 5.644 8.201 ( 0.000 -2.219 0.000) 2.219 8.218 ( 0.000 -13.517 0.000) 13.517 8.508 ( 0.000 -4.318 0.000) 4.318 8.678 ( 0.000 -7.461 0.000) 7.461 8.849 ( 0.000 -10.739 0.000) 10.739 9.112 ( 0.000 12.107 0.000) 12.107 9.266 ( 0.000 6.052 0.000) 6.052 9.606 ( 0.000 -15.846 0.000) 15.846 9.744 ( 0.000 2.777 0.000) 2.777 10.159 ( 0.000 -0.899 0.000) 0.899 10.212 ( 0.000 -9.630 0.000) 9.630 10.265 ( 0.000 2.519 0.000) 2.519 10.414 ( 0.000 1.198 0.000) 1.198 10.658 ( 0.000 -8.564 0.000) 8.564 10.680 ( 0.000 -10.139 0.000) 10.139 10.853 ( 0.000 20.484 0.000) 20.484 11.001 ( 0.000 11.925 0.000) 11.925 11.177 ( 0.000 -18.938 0.000) 18.938 11.200 ( 0.000 -2.464 0.000) 2.464 11.400 ( 0.000 -8.655 0.000) 8.655 11.437 ( 0.000 -18.727 0.000) 18.727 11.627 ( 0.000 7.405 0.000) 7.405 11.635 ( 0.000 -31.013 0.000) 31.013 11.672 ( 0.000 7.608 0.000) 7.608 11.702 ( 0.000 2.190 0.000) 2.190 11.884 ( 0.000 9.687 0.000) 9.687 11.920 ( 0.000 -18.995 0.000) 18.995 12.225 ( 0.000 -17.856 0.000) 17.856 12.872 ( 0.000 -3.397 0.000) 3.397 13.337 ( 0.000 -8.002 0.000) 8.002 13.724 ( 0.000 1.691 0.000) 1.691 13.972 ( 0.000 -2.920 0.000) 2.920 14.108 ( 0.000 5.801 0.000) 5.801 14.884 ( 0.000 17.504 0.000) 17.504 15.157 ( 0.000 7.605 0.000) 7.605 15.297 ( 0.000 2.250 0.000) 2.250 15.366 ( 0.000 7.815 0.000) 7.815 15.561 ( 0.000 11.876 0.000) 11.876 15.699 ( 0.000 6.113 0.000) 6.113 16.111 ( 0.000 0.525 0.000) 0.525 17.389 ( 0.000 -11.074 0.000) 11.074 17.799 ( 0.000 -24.501 0.000) 24.501 17.893 ( 0.000 -35.844 0.000) 35.844 18.106 ( 0.000 -38.636 0.000) 38.636 18.207 ( 0.000 -18.885 0.000) 18.885 18.799 ( 0.000 1.930 0.000) 1.930 18.861 ( 0.000 -13.557 0.000) 13.557 19.663 ( 0.000 6.850 0.000) 6.850 20.498 ( 0.000 9.361 0.000) 9.361 20.779 ( 0.000 15.329 0.000) 15.329 20.981 ( 0.000 6.772 0.000) 6.772 21.062 ( 0.000 21.417 0.000) 21.417 21.298 ( 0.000 9.586 0.000) 9.586 22.706 ( 0.000 0.494 0.000) 0.494 23.064 ( 0.000 -7.879 0.000) 7.879 23.093 ( 0.000 -9.339 0.000) 9.339 23.533 ( 0.000 -15.138 0.000) 15.138 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 9.465 33.123 0.000) 34.449 1.762 ( 11.684 36.174 0.000) 38.014 2.725 ( 4.970 34.452 0.000) 34.809 2.781 ( -1.929 7.982 0.000) 8.212 2.871 ( -3.801 21.698 0.000) 22.029 3.055 ( 12.860 27.375 0.000) 30.245 3.204 ( 7.504 4.236 0.000) 8.617 3.218 ( -24.550 7.341 0.000) 25.624 3.528 ( 1.483 11.010 0.000) 11.110 3.640 ( -0.748 9.042 0.000) 9.072 3.689 ( -10.631 10.076 0.000) 14.648 3.810 ( -9.704 6.643 0.000) 11.760 4.100 ( -0.405 10.038 0.000) 10.046 4.384 ( 13.312 2.825 0.000) 13.608 4.435 ( 12.859 6.631 0.000) 14.468 4.485 ( 1.861 13.351 0.000) 13.480 4.677 ( 0.157 11.520 0.000) 11.521 4.838 ( -2.662 8.063 0.000) 8.491 4.870 ( -1.199 14.171 0.000) 14.222 5.107 ( -4.753 6.114 0.000) 7.744 5.291 ( -3.988 17.498 0.000) 17.946 5.445 ( -1.293 8.575 0.000) 8.672 5.578 ( 6.218 22.429 0.000) 23.275 5.656 ( 10.055 23.916 0.000) 25.944 5.693 ( -0.141 16.091 0.000) 16.091 5.831 ( -17.962 15.140 0.000) 23.492 5.972 ( 5.968 24.216 0.000) 24.941 6.351 ( 1.839 9.138 0.000) 9.321 6.493 ( -2.700 1.997 0.000) 3.358 6.682 ( -16.144 13.339 0.000) 20.942 7.049 ( 2.889 1.952 0.000) 3.486 7.079 ( 6.124 4.567 0.000) 7.639 7.083 ( 4.563 0.597 0.000) 4.602 7.215 ( 0.235 6.958 0.000) 6.962 7.385 ( 8.429 3.265 0.000) 9.039 7.478 ( 7.132 1.366 0.000) 7.262 7.542 ( -1.478 3.268 0.000) 3.586 7.597 ( 6.769 -3.831 0.000) 7.778 7.923 ( -5.029 0.068 0.000) 5.030 8.133 ( -3.136 -2.964 0.000) 4.315 8.175 ( -3.473 -13.690 0.000) 14.124 8.435 ( -6.294 -7.201 0.000) 9.563 8.749 ( 4.811 -6.986 0.000) 8.483 8.866 ( 0.986 -7.441 0.000) 7.506 9.175 ( 6.228 12.280 0.000) 13.769 9.314 ( 4.674 5.005 0.000) 6.848 9.621 ( 1.152 -13.602 0.000) 13.651 9.723 ( -2.312 2.283 0.000) 3.249 10.139 ( -2.066 -3.645 0.000) 4.190 10.169 ( -4.212 -7.712 0.000) 8.787 10.287 ( 1.840 4.098 0.000) 4.493 10.423 ( 0.215 2.997 0.000) 3.005 10.637 ( -1.449 -7.257 0.000) 7.401 10.688 ( 1.926 -5.688 0.000) 6.005 10.879 ( -3.293 15.457 0.000) 15.804 10.901 ( -0.282 -0.211 0.000) 0.352 11.118 ( -7.067 -2.160 0.000) 7.390 11.289 ( 5.620 -2.192 0.000) 6.032 11.308 ( -7.028 -7.397 0.000) 10.203 11.458 ( -4.504 -9.255 0.000) 10.293 11.517 ( -2.631 -4.753 0.000) 5.432 11.599 ( -3.790 -3.435 0.000) 5.115 11.628 ( -0.640 -27.146 0.000) 27.153 11.706 ( 2.052 4.369 0.000) 4.827 12.018 ( 6.731 -11.944 0.000) 13.710 12.085 ( 13.438 0.850 0.000) 13.465 12.224 ( 0.955 -12.300 0.000) 12.337 12.746 ( -8.886 -5.660 0.000) 10.535 13.430 ( 5.698 -6.593 0.000) 8.714 13.613 ( -8.617 0.413 0.000) 8.626 14.011 ( 2.005 -1.078 0.000) 2.276 14.064 ( -4.026 6.531 0.000) 7.672 14.887 ( 0.201 16.921 0.000) 16.922 15.077 ( -6.910 11.162 0.000) 13.127 15.309 ( 1.037 2.672 0.000) 2.866 15.359 ( -0.652 7.779 0.000) 7.807 15.621 ( 6.160 13.899 0.000) 15.203 15.745 ( 4.217 6.628 0.000) 7.856 16.086 ( -2.438 0.001 0.000) 2.438 16.872 ( -38.542 12.400 0.000) 40.488 17.839 ( 2.064 -31.917 0.000) 31.984 17.895 ( 0.135 -35.921 0.000) 35.921 18.108 ( 0.254 -37.628 0.000) 37.629 18.182 ( -1.821 -25.063 0.000) 25.129 18.747 ( -4.304 -4.194 0.000) 6.009 18.787 ( -1.272 1.766 0.000) 2.177 19.954 ( 19.257 0.122 0.000) 19.258 20.517 ( 1.680 8.536 0.000) 8.700 20.724 ( -3.820 19.090 0.000) 19.468 20.882 ( -9.232 9.798 0.000) 13.462 21.063 ( 0.123 19.069 0.000) 19.070 21.264 ( -4.116 9.028 0.000) 9.922 22.722 ( 3.916 -1.261 0.000) 4.114 23.059 ( -3.275 -8.851 0.000) 9.437 23.311 ( 17.020 -17.006 0.000) 24.060 23.567 ( 2.876 -15.856 0.000) 16.114 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 23.376 19.098 0.000) 30.186 2.067 ( 18.352 28.608 0.000) 33.989 2.460 ( -19.383 20.999 0.000) 28.577 2.503 ( -26.501 10.149 0.000) 28.378 2.961 ( 0.023 11.550 0.000) 11.550 2.975 ( 2.424 17.264 0.000) 17.433 3.280 ( 10.133 6.015 0.000) 11.784 3.487 ( -8.068 4.831 0.000) 9.404 3.532 ( 13.344 19.770 0.000) 23.852 3.574 ( 4.309 19.925 0.000) 20.386 3.601 ( -5.099 11.227 0.000) 12.331 3.678 ( 0.034 13.037 0.000) 13.037 4.107 ( 7.171 20.270 0.000) 21.501 4.478 ( -20.434 24.948 0.000) 32.248 4.506 ( 3.339 5.720 0.000) 6.623 4.561 ( -2.474 4.140 0.000) 4.823 4.680 ( 9.911 5.358 0.000) 11.266 4.778 ( -1.544 9.299 0.000) 9.426 4.893 ( 4.785 7.781 0.000) 9.135 4.986 ( -4.645 5.328 0.000) 7.069 5.339 ( -4.126 15.525 0.000) 16.064 5.374 ( 9.742 14.653 0.000) 17.596 5.420 ( -12.181 15.730 0.000) 19.895 5.584 ( -9.283 16.491 0.000) 18.925 5.860 ( 16.613 17.967 0.000) 24.470 5.985 ( 10.180 21.950 0.000) 24.195 6.145 ( 9.806 18.752 0.000) 21.161 6.306 ( -7.671 9.825 0.000) 12.465 6.370 ( -11.423 20.710 0.000) 23.651 6.381 ( -8.096 14.072 0.000) 16.234 7.103 ( 3.873 1.985 0.000) 4.352 7.174 ( 3.955 -6.991 0.000) 8.032 7.178 ( -0.366 2.026 0.000) 2.059 7.197 ( 0.302 0.132 0.000) 0.330 7.445 ( 1.312 1.278 0.000) 1.831 7.486 ( -3.465 -5.230 0.000) 6.274 7.638 ( 6.670 3.481 0.000) 7.524 7.778 ( -7.871 4.190 0.000) 8.917 7.826 ( 13.632 -7.037 0.000) 15.341 8.042 ( -8.156 -6.742 0.000) 10.582 8.184 ( 4.770 -7.971 0.000) 9.289 8.302 ( -6.784 -8.169 0.000) 10.619 8.823 ( 2.839 -5.726 0.000) 6.391 8.865 ( -1.242 -5.409 0.000) 5.550 9.337 ( 9.071 11.978 0.000) 15.025 9.413 ( 3.227 6.873 0.000) 7.593 9.621 ( -1.243 -6.830 0.000) 6.942 9.654 ( -4.232 -0.195 0.000) 4.236 10.083 ( -2.801 -5.820 0.000) 6.459 10.089 ( -2.449 -6.839 0.000) 7.264 10.326 ( 2.407 4.843 0.000) 5.408 10.388 ( -3.511 4.114 0.000) 5.408 10.652 ( 3.409 -3.262 0.000) 4.718 10.740 ( -3.378 -1.881 0.000) 3.867 10.808 ( 5.539 -2.121 0.000) 5.931 10.967 ( -8.143 -3.688 0.000) 8.939 10.983 ( 5.679 5.964 0.000) 8.236 11.133 ( -9.649 -2.082 0.000) 9.871 11.325 ( -0.238 6.864 0.000) 6.868 11.346 ( -3.242 9.045 0.000) 9.609 11.538 ( 1.786 -21.215 0.000) 21.290 11.570 ( -1.299 -17.636 0.000) 17.683 11.656 ( 3.784 -12.675 0.000) 13.228 11.717 ( -1.449 -0.946 0.000) 1.731 12.122 ( 3.614 -13.428 0.000) 13.906 12.168 ( -1.330 -19.117 0.000) 19.164 12.414 ( 13.070 2.827 0.000) 13.372 12.601 ( -6.720 -6.048 0.000) 9.040 13.467 ( -1.571 -1.090 0.000) 1.912 13.472 ( -4.091 0.681 0.000) 4.147 14.004 ( -0.721 4.455 0.000) 4.513 14.019 ( -0.986 0.841 0.000) 1.296 14.897 ( 1.181 16.467 0.000) 16.509 14.951 ( -4.794 15.716 0.000) 16.431 15.329 ( 0.909 3.915 0.000) 4.019 15.345 ( -0.748 6.023 0.000) 6.069 15.790 ( 9.644 20.173 0.000) 22.360 15.836 ( 4.035 10.898 0.000) 11.621 16.037 ( -0.726 -2.424 0.000) 2.530 16.249 ( -22.915 12.185 0.000) 25.954 17.873 ( 1.421 -35.190 0.000) 35.218 17.893 ( -0.541 -36.037 0.000) 36.041 18.120 ( 0.996 -34.672 0.000) 34.686 18.147 ( -1.673 -30.581 0.000) 30.627 18.724 ( 0.845 -0.333 0.000) 0.908 18.754 ( -1.877 1.148 0.000) 2.200 20.292 ( 15.443 -0.383 0.000) 15.448 20.522 ( -4.560 0.210 0.000) 4.565 20.667 ( -1.902 21.640 0.000) 21.724 20.685 ( -7.040 20.275 0.000) 21.462 21.081 ( 2.182 15.826 0.000) 15.975 21.158 ( -5.511 11.767 0.000) 12.993 22.841 ( 7.085 -4.845 0.000) 8.583 22.970 ( -5.762 -7.372 0.000) 9.357 23.555 ( 7.181 -20.078 0.000) 21.324 23.611 ( 0.617 -17.855 0.000) 17.865 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 37.094 0.000) 37.094 2.368 ( 0.000 34.652 0.000) 34.652 2.963 ( 0.000 12.763 0.000) 12.763 3.167 ( 0.000 4.403 0.000) 4.403 3.236 ( 0.000 20.044 0.000) 20.044 3.298 ( 0.000 18.035 0.000) 18.035 3.591 ( 0.000 -4.832 0.000) 4.832 3.748 ( 0.000 48.830 0.000) 48.830 3.759 ( 0.000 10.379 0.000) 10.379 3.801 ( 0.000 13.850 0.000) 13.850 3.984 ( 0.000 9.902 0.000) 9.902 4.235 ( 0.000 0.891 0.000) 0.891 4.239 ( 0.000 9.314 0.000) 9.314 4.251 ( 0.000 16.272 0.000) 16.272 4.299 ( 0.000 6.449 0.000) 6.449 4.719 ( 0.000 1.535 0.000) 1.535 4.912 ( 0.000 20.301 0.000) 20.301 5.007 ( 0.000 6.558 0.000) 6.558 5.118 ( 0.000 6.898 0.000) 6.898 5.228 ( 0.000 0.174 0.000) 0.174 5.447 ( 0.000 5.522 0.000) 5.522 5.800 ( 0.000 17.268 0.000) 17.268 5.819 ( 0.000 10.669 0.000) 10.669 5.993 ( 0.000 17.859 0.000) 17.859 6.196 ( 0.000 31.856 0.000) 31.856 6.260 ( 0.000 -0.422 0.000) 0.422 6.410 ( 0.000 15.547 0.000) 15.547 6.467 ( 0.000 16.485 0.000) 16.485 6.557 ( 0.000 17.854 0.000) 17.854 7.002 ( 0.000 -1.682 0.000) 1.682 7.196 ( 0.000 9.059 0.000) 9.059 7.200 ( 0.000 17.023 0.000) 17.023 7.254 ( 0.000 6.027 0.000) 6.027 7.319 ( 0.000 17.017 0.000) 17.017 7.403 ( 0.000 10.676 0.000) 10.676 7.519 ( 0.000 10.790 0.000) 10.790 7.553 ( 0.000 4.508 0.000) 4.508 7.611 ( 0.000 -10.409 0.000) 10.409 7.831 ( 0.000 -6.115 0.000) 6.115 8.056 ( 0.000 4.883 0.000) 4.883 8.236 ( 0.000 4.103 0.000) 4.103 8.415 ( 0.000 -4.406 0.000) 4.406 8.585 ( 0.000 -1.318 0.000) 1.318 8.653 ( 0.000 -8.914 0.000) 8.914 9.348 ( 0.000 11.263 0.000) 11.263 9.358 ( 0.000 -8.398 0.000) 8.398 9.371 ( 0.000 5.103 0.000) 5.103 9.772 ( 0.000 -0.305 0.000) 0.305 9.927 ( 0.000 -16.868 0.000) 16.868 10.116 ( 0.000 -1.501 0.000) 1.501 10.282 ( 0.000 -6.270 0.000) 6.270 10.359 ( 0.000 -25.386 0.000) 25.386 10.449 ( 0.000 -1.095 0.000) 1.095 10.566 ( 0.000 3.995 0.000) 3.995 10.693 ( 0.000 -27.778 0.000) 27.778 10.713 ( 0.000 -34.520 0.000) 34.520 10.844 ( 0.000 -24.261 0.000) 24.261 11.063 ( 0.000 -14.237 0.000) 14.237 11.226 ( 0.000 10.468 0.000) 10.468 11.284 ( 0.000 -0.225 0.000) 0.225 11.563 ( 0.000 20.567 0.000) 20.567 11.614 ( 0.000 -12.344 0.000) 12.344 11.744 ( 0.000 2.140 0.000) 2.140 11.845 ( 0.000 8.219 0.000) 8.219 12.014 ( 0.000 -5.874 0.000) 5.874 12.020 ( 0.000 23.050 0.000) 23.050 12.084 ( 0.000 11.364 0.000) 11.364 12.912 ( 0.000 5.616 0.000) 5.616 13.153 ( 0.000 -10.986 0.000) 10.986 13.732 ( 0.000 -0.035 0.000) 0.035 13.867 ( 0.000 -7.330 0.000) 7.330 14.141 ( 0.000 -1.988 0.000) 1.988 15.115 ( 0.000 -9.016 0.000) 9.016 15.131 ( 0.000 6.872 0.000) 6.872 15.477 ( 0.000 16.813 0.000) 16.813 15.543 ( 0.000 9.231 0.000) 9.231 15.656 ( 0.000 -2.935 0.000) 2.935 15.884 ( 0.000 9.857 0.000) 9.857 16.192 ( 0.000 7.296 0.000) 7.296 17.063 ( 0.000 -24.211 0.000) 24.211 17.255 ( 0.000 -29.045 0.000) 29.045 17.298 ( 0.000 -43.746 0.000) 43.746 17.404 ( 0.000 -15.570 0.000) 15.570 17.726 ( 0.000 -23.972 0.000) 23.972 18.792 ( 0.000 2.409 0.000) 2.409 18.864 ( 0.000 4.375 0.000) 4.375 19.729 ( 0.000 0.472 0.000) 0.472 20.480 ( 0.000 -7.479 0.000) 7.479 21.019 ( 0.000 9.594 0.000) 9.594 21.194 ( 0.000 11.671 0.000) 11.671 21.429 ( 0.000 16.001 0.000) 16.001 21.451 ( 0.000 5.557 0.000) 5.557 22.712 ( 0.000 0.046 0.000) 0.046 22.893 ( 0.000 -10.877 0.000) 10.877 22.908 ( 0.000 -7.744 0.000) 7.744 23.209 ( 0.000 -17.605 0.000) 17.605 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -0.435 33.190 0.000) 33.193 2.437 ( 6.893 32.750 0.000) 33.467 3.001 ( 1.786 14.248 0.000) 14.360 3.107 ( -8.342 12.371 0.000) 14.921 3.263 ( 1.181 7.566 0.000) 7.657 3.273 ( -23.105 -0.187 0.000) 23.106 3.286 ( 2.895 22.454 0.000) 22.640 3.684 ( -3.499 5.065 0.000) 6.156 3.861 ( 3.917 26.795 0.000) 27.080 3.873 ( 2.350 14.576 0.000) 14.764 3.963 ( 4.247 28.967 0.000) 29.277 4.021 ( -7.552 12.885 0.000) 14.935 4.287 ( 5.186 10.008 0.000) 11.272 4.447 ( 11.579 3.841 0.000) 12.200 4.582 ( 9.900 7.494 0.000) 12.416 4.813 ( -5.617 18.747 0.000) 19.570 4.815 ( 11.499 2.163 0.000) 11.700 4.987 ( -1.833 7.549 0.000) 7.768 5.084 ( -2.021 8.348 0.000) 8.589 5.174 ( -4.996 1.045 0.000) 5.105 5.552 ( 5.532 5.633 0.000) 7.896 5.647 ( -6.007 16.279 0.000) 17.352 5.971 ( 1.456 8.463 0.000) 8.587 5.989 ( -0.957 16.098 0.000) 16.127 6.125 ( -0.015 24.005 0.000) 24.005 6.236 ( -6.844 23.984 0.000) 24.941 6.396 ( 6.848 12.982 0.000) 14.677 6.551 ( 4.683 12.389 0.000) 13.244 6.592 ( 4.167 15.042 0.000) 15.609 6.977 ( -9.837 8.384 0.000) 12.925 7.082 ( 0.333 7.122 0.000) 7.129 7.197 ( -1.056 6.128 0.000) 6.219 7.201 ( -3.854 12.259 0.000) 12.850 7.389 ( -1.208 7.674 0.000) 7.769 7.499 ( -7.582 -4.742 0.000) 8.943 7.503 ( 11.846 6.610 0.000) 13.566 7.539 ( 0.959 10.607 0.000) 10.650 7.625 ( 6.252 5.873 0.000) 8.577 7.896 ( 2.991 -9.680 0.000) 10.131 8.049 ( -1.745 8.132 0.000) 8.317 8.115 ( -7.722 2.428 0.000) 8.094 8.295 ( -8.591 -6.460 0.000) 10.749 8.663 ( 4.973 -1.320 0.000) 5.145 8.719 ( 3.684 -6.784 0.000) 7.720 9.402 ( 4.181 -7.855 0.000) 8.899 9.406 ( 5.512 10.269 0.000) 11.655 9.413 ( 4.577 5.193 0.000) 6.922 9.746 ( -2.599 0.329 0.000) 2.620 9.925 ( -0.382 -15.247 0.000) 15.251 10.027 ( -6.878 -6.980 0.000) 9.799 10.360 ( 0.122 -21.757 0.000) 21.757 10.381 ( 7.997 -0.305 0.000) 8.003 10.504 ( 5.088 -0.729 0.000) 5.140 10.549 ( -4.328 -6.695 0.000) 7.972 10.660 ( 0.782 -13.354 0.000) 13.376 10.715 ( 0.160 -34.708 0.000) 34.709 10.810 ( -3.394 -23.338 0.000) 23.584 11.026 ( -4.966 -14.178 0.000) 15.022 11.207 ( -4.221 -2.531 0.000) 4.922 11.324 ( 6.270 5.485 0.000) 8.331 11.535 ( -2.904 18.259 0.000) 18.488 11.567 ( -4.813 -4.596 0.000) 6.655 11.631 ( -6.394 1.809 0.000) 6.645 11.886 ( 2.639 6.633 0.000) 7.139 11.986 ( 0.818 -1.713 0.000) 1.898 12.033 ( 0.910 16.685 0.000) 16.710 12.268 ( 11.665 6.244 0.000) 13.231 12.739 ( -11.431 2.149 0.000) 11.631 13.288 ( 8.150 -7.497 0.000) 11.074 13.599 ( -8.844 -1.558 0.000) 8.980 13.949 ( 4.324 -4.428 0.000) 6.189 14.115 ( -2.565 -0.881 0.000) 2.712 15.088 ( -2.113 -7.038 0.000) 7.349 15.111 ( -1.812 4.743 0.000) 5.077 15.494 ( 1.603 16.688 0.000) 16.765 15.559 ( 1.081 10.417 0.000) 10.473 15.749 ( 9.253 -0.966 0.000) 9.303 15.907 ( 2.418 8.739 0.000) 9.068 16.170 ( -2.165 8.022 0.000) 8.309 16.955 ( -15.584 -5.852 0.000) 16.646 17.223 ( -1.862 -35.833 0.000) 35.881 17.258 ( -9.217 -25.416 0.000) 27.035 17.352 ( 4.071 -35.921 0.000) 36.151 17.634 ( -5.588 -26.264 0.000) 26.852 18.769 ( -0.790 4.168 0.000) 4.242 18.851 ( -1.301 4.430 0.000) 4.617 19.915 ( 14.959 -3.858 0.000) 15.449 20.472 ( -1.288 -8.460 0.000) 8.558 21.010 ( -0.712 10.961 0.000) 10.985 21.134 ( -5.268 12.812 0.000) 13.852 21.414 ( -1.471 15.494 0.000) 15.564 21.427 ( -2.248 6.668 0.000) 7.036 22.703 ( 0.829 -0.896 0.000) 1.221 22.871 ( -2.011 -10.118 0.000) 10.316 23.035 ( 9.617 -11.967 0.000) 15.352 23.235 ( 2.029 -17.744 0.000) 17.860 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 10.736 22.247 0.000) 24.703 2.624 ( 11.817 27.845 0.000) 30.249 2.714 ( -22.167 11.142 0.000) 24.810 2.878 ( -13.385 21.245 0.000) 25.110 3.180 ( 5.922 12.131 0.000) 13.499 3.270 ( -2.017 11.589 0.000) 11.764 3.391 ( 7.557 10.023 0.000) 12.553 3.560 ( -8.688 3.596 0.000) 9.403 3.865 ( 0.799 17.611 0.000) 17.629 3.900 ( -1.471 16.954 0.000) 17.018 3.953 ( 2.265 15.326 0.000) 15.493 4.024 ( -2.468 19.621 0.000) 19.776 4.495 ( 12.112 10.275 0.000) 15.883 4.613 ( -2.666 1.785 0.000) 3.208 4.655 ( 10.914 10.770 0.000) 15.333 4.811 ( 5.387 13.346 0.000) 14.392 4.912 ( -9.324 14.835 0.000) 17.522 4.928 ( -5.028 5.423 0.000) 7.395 5.102 ( 3.912 14.224 0.000) 14.753 5.134 ( 2.551 11.440 0.000) 11.721 5.586 ( 0.804 10.223 0.000) 10.255 5.627 ( 3.196 11.523 0.000) 11.958 5.768 ( -10.177 17.815 0.000) 20.518 5.872 ( -10.375 11.927 0.000) 15.808 6.290 ( 14.519 23.962 0.000) 28.017 6.348 ( 10.251 12.985 0.000) 16.543 6.469 ( -0.636 12.037 0.000) 12.054 6.561 ( -8.645 19.070 0.000) 20.938 6.700 ( 5.461 15.355 0.000) 16.297 6.770 ( -4.591 8.736 0.000) 9.869 7.081 ( -3.848 8.842 0.000) 9.643 7.107 ( -6.220 -1.913 0.000) 6.507 7.212 ( 7.306 6.145 0.000) 9.547 7.356 ( -6.291 9.852 0.000) 11.689 7.420 ( 3.168 1.252 0.000) 3.406 7.505 ( -4.011 6.759 0.000) 7.860 7.728 ( 9.695 -1.147 0.000) 9.763 7.767 ( 7.995 8.768 0.000) 11.866 7.876 ( -5.370 -6.360 0.000) 8.324 7.917 ( -7.300 8.291 0.000) 11.047 8.094 ( 1.888 -1.784 0.000) 2.598 8.157 ( -4.964 -6.274 0.000) 8.000 8.733 ( 2.261 -2.787 0.000) 3.589 8.755 ( 0.093 -4.867 0.000) 4.868 9.495 ( 4.412 -5.187 0.000) 6.810 9.516 ( 3.541 4.211 0.000) 5.502 9.543 ( 7.805 6.001 0.000) 9.845 9.674 ( -4.939 4.483 0.000) 6.670 9.904 ( -1.766 -11.820 0.000) 11.951 9.906 ( -3.802 -11.644 0.000) 12.249 10.365 ( 0.835 -13.735 0.000) 13.761 10.419 ( -4.714 -5.293 0.000) 7.088 10.569 ( 7.747 -7.886 0.000) 11.054 10.611 ( 4.490 0.841 0.000) 4.568 10.689 ( -0.210 -14.183 0.000) 14.184 10.721 ( -5.054 -23.639 0.000) 24.173 10.746 ( 4.240 -20.691 0.000) 21.121 10.875 ( -8.412 -12.422 0.000) 15.003 11.204 ( 3.506 -5.688 0.000) 6.682 11.317 ( -6.413 0.336 0.000) 6.422 11.443 ( -2.187 3.726 0.000) 4.320 11.468 ( -4.073 0.830 0.000) 4.156 11.703 ( 9.675 7.799 0.000) 12.428 11.869 ( -5.421 8.231 0.000) 9.856 12.018 ( 1.802 3.274 0.000) 3.737 12.042 ( -0.360 7.529 0.000) 7.537 12.460 ( 7.103 1.652 0.000) 7.292 12.566 ( -5.759 0.434 0.000) 5.775 13.400 ( 3.351 -4.956 0.000) 5.982 13.461 ( -4.495 -1.792 0.000) 4.839 14.007 ( 2.077 -1.581 0.000) 2.610 14.054 ( -3.045 0.440 0.000) 3.076 15.059 ( -0.447 -3.186 0.000) 3.217 15.073 ( -1.673 0.803 0.000) 1.855 15.532 ( 2.074 16.064 0.000) 16.198 15.563 ( -0.812 13.725 0.000) 13.749 15.976 ( 4.118 5.461 0.000) 6.839 15.982 ( 10.111 -0.808 0.000) 10.143 16.141 ( 3.736 13.182 0.000) 13.701 16.492 ( -25.357 10.885 0.000) 27.595 17.186 ( -0.529 -36.622 0.000) 36.626 17.194 ( -1.055 -37.544 0.000) 37.558 17.442 ( 4.873 -31.445 0.000) 31.820 17.537 ( -4.808 -28.426 0.000) 28.829 18.779 ( 1.538 4.704 0.000) 4.950 18.817 ( -2.042 4.580 0.000) 5.014 20.202 ( 13.168 -7.596 0.000) 15.202 20.401 ( -6.727 -9.521 0.000) 11.657 21.002 ( 0.177 13.065 0.000) 13.066 21.035 ( -3.717 14.306 0.000) 14.781 21.384 ( -1.108 13.632 0.000) 13.676 21.385 ( -1.372 10.150 0.000) 10.243 22.751 ( 3.491 -4.309 0.000) 5.546 22.819 ( -3.230 -7.813 0.000) 8.454 23.197 ( 5.971 -16.566 0.000) 17.609 23.257 ( -0.417 -17.861 0.000) 17.866 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 0.000 27.191 0.000) 27.191 2.994 ( 0.000 31.791 0.000) 31.791 3.263 ( 0.000 17.443 0.000) 17.443 3.316 ( 0.000 11.485 0.000) 11.485 3.470 ( 0.000 -6.899 0.000) 6.899 3.485 ( 0.000 9.804 0.000) 9.804 3.747 ( 0.000 23.744 0.000) 23.744 3.859 ( 0.000 -2.441 0.000) 2.441 4.064 ( 0.000 12.310 0.000) 12.310 4.120 ( 0.000 8.476 0.000) 8.476 4.279 ( 0.000 5.257 0.000) 5.257 4.395 ( 0.000 7.220 0.000) 7.220 4.457 ( 0.000 8.725 0.000) 8.725 4.511 ( 0.000 10.679 0.000) 10.679 4.644 ( 0.000 35.207 0.000) 35.207 4.723 ( 0.000 -0.225 0.000) 0.225 5.143 ( 0.000 7.533 0.000) 7.533 5.200 ( 0.000 -2.542 0.000) 2.542 5.212 ( 0.000 5.817 0.000) 5.817 5.265 ( 0.000 16.511 0.000) 16.511 5.611 ( 0.000 11.387 0.000) 11.387 5.873 ( 0.000 -1.351 0.000) 1.351 6.029 ( 0.000 6.370 0.000) 6.370 6.133 ( 0.000 -7.515 0.000) 7.515 6.310 ( 0.000 13.679 0.000) 13.679 6.764 ( 0.000 21.969 0.000) 21.969 6.794 ( 0.000 19.631 0.000) 19.631 6.807 ( 0.000 15.832 0.000) 15.832 6.900 ( 0.000 11.628 0.000) 11.628 6.946 ( 0.000 -0.473 0.000) 0.473 7.228 ( 0.000 -11.635 0.000) 11.635 7.397 ( 0.000 8.663 0.000) 8.663 7.414 ( 0.000 2.996 0.000) 2.996 7.463 ( 0.000 -5.171 0.000) 5.171 7.484 ( 0.000 13.695 0.000) 13.695 7.633 ( 0.000 12.325 0.000) 12.325 7.772 ( 0.000 16.825 0.000) 16.825 7.851 ( 0.000 20.548 0.000) 20.548 7.866 ( 0.000 10.678 0.000) 10.678 8.242 ( 0.000 9.814 0.000) 9.814 8.383 ( 0.000 2.060 0.000) 2.060 8.387 ( 0.000 10.759 0.000) 10.759 8.533 ( 0.000 -2.312 0.000) 2.312 8.654 ( 0.000 8.673 0.000) 8.673 9.277 ( 0.000 -1.813 0.000) 1.813 9.483 ( 0.000 6.876 0.000) 6.876 9.501 ( 0.000 3.113 0.000) 3.113 9.627 ( 0.000 -11.834 0.000) 11.834 9.717 ( 0.000 -36.775 0.000) 36.775 9.724 ( 0.000 -5.854 0.000) 5.854 9.898 ( 0.000 -31.022 0.000) 31.022 10.064 ( 0.000 -12.307 0.000) 12.307 10.199 ( 0.000 -21.335 0.000) 21.335 10.244 ( 0.000 1.125 0.000) 1.125 10.253 ( 0.000 -15.929 0.000) 15.929 10.601 ( 0.000 -2.055 0.000) 2.055 10.782 ( 0.000 13.788 0.000) 13.788 10.903 ( 0.000 -5.413 0.000) 5.413 11.286 ( 0.000 0.494 0.000) 0.494 11.352 ( 0.000 0.645 0.000) 0.645 11.388 ( 0.000 -10.488 0.000) 10.488 11.790 ( 0.000 3.132 0.000) 3.132 11.915 ( 0.000 14.160 0.000) 14.160 11.953 ( 0.000 -0.663 0.000) 0.663 11.995 ( 0.000 6.157 0.000) 6.157 12.352 ( 0.000 16.200 0.000) 16.200 12.440 ( 0.000 19.438 0.000) 19.438 12.924 ( 0.000 -11.614 0.000) 11.614 13.047 ( 0.000 7.725 0.000) 7.725 13.702 ( 0.000 -9.412 0.000) 9.412 13.742 ( 0.000 1.292 0.000) 1.292 14.054 ( 0.000 -6.426 0.000) 6.426 14.875 ( 0.000 -14.883 0.000) 14.883 15.250 ( 0.000 6.894 0.000) 6.894 15.465 ( 0.000 -16.358 0.000) 16.358 15.635 ( 0.000 -4.183 0.000) 4.183 15.828 ( 0.000 16.092 0.000) 16.092 16.026 ( 0.000 4.839 0.000) 4.839 16.312 ( 0.000 2.672 0.000) 2.672 16.449 ( 0.000 -41.582 0.000) 41.582 16.509 ( 0.000 -26.456 0.000) 26.456 16.818 ( 0.000 -14.266 0.000) 14.266 17.200 ( 0.000 -5.965 0.000) 5.965 17.385 ( 0.000 -12.226 0.000) 12.226 18.877 ( 0.000 5.690 0.000) 5.690 18.966 ( 0.000 6.180 0.000) 6.180 19.696 ( 0.000 -3.580 0.000) 3.580 20.286 ( 0.000 -11.825 0.000) 11.825 21.162 ( 0.000 5.499 0.000) 5.499 21.375 ( 0.000 6.887 0.000) 6.887 21.505 ( 0.000 0.119 0.000) 0.119 21.670 ( 0.000 8.570 0.000) 8.570 22.688 ( 0.000 -9.860 0.000) 9.860 22.705 ( 0.000 -0.778 0.000) 0.778 22.777 ( 0.000 -5.579 0.000) 5.579 22.876 ( 0.000 -15.998 0.000) 15.998 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -6.769 29.875 0.000) 30.632 3.009 ( 3.310 24.973 0.000) 25.192 3.246 ( -17.497 0.624 0.000) 17.508 3.313 ( -0.433 10.996 0.000) 11.005 3.322 ( 5.552 16.528 0.000) 17.436 3.455 ( -2.981 10.422 0.000) 10.840 3.732 ( -1.233 22.716 0.000) 22.749 3.739 ( -6.692 0.149 0.000) 6.694 4.133 ( 1.831 10.732 0.000) 10.887 4.145 ( 3.783 12.620 0.000) 13.175 4.279 ( -0.846 13.262 0.000) 13.289 4.424 ( 0.203 10.722 0.000) 10.724 4.522 ( 5.153 4.139 0.000) 6.609 4.659 ( 2.056 23.826 0.000) 23.914 4.692 ( -0.107 2.830 0.000) 2.832 4.786 ( 20.113 -2.901 0.000) 20.321 5.117 ( -5.792 8.200 0.000) 10.039 5.119 ( -3.289 3.724 0.000) 4.968 5.176 ( -1.411 1.904 0.000) 2.370 5.329 ( 7.644 22.425 0.000) 23.692 5.691 ( 4.602 8.851 0.000) 9.976 5.838 ( -2.446 3.513 0.000) 4.281 6.083 ( 3.669 4.788 0.000) 6.032 6.231 ( 5.856 0.563 0.000) 5.883 6.244 ( -3.858 3.241 0.000) 5.038 6.664 ( -7.941 11.801 0.000) 14.224 6.734 ( -5.218 11.393 0.000) 12.531 6.759 ( -0.401 17.433 0.000) 17.437 6.910 ( 0.583 10.722 0.000) 10.738 7.097 ( 6.340 10.513 0.000) 12.277 7.173 ( -3.298 -5.120 0.000) 6.090 7.262 ( -6.531 9.194 0.000) 11.278 7.428 ( 3.029 5.835 0.000) 6.574 7.495 ( -0.828 14.370 0.000) 14.394 7.530 ( 3.630 -2.136 0.000) 4.212 7.729 ( 2.985 14.376 0.000) 14.682 7.791 ( 3.674 12.295 0.000) 12.833 7.852 ( 1.602 17.915 0.000) 17.986 7.859 ( -0.664 9.036 0.000) 9.060 8.186 ( -4.932 7.319 0.000) 8.826 8.230 ( -9.662 1.514 0.000) 9.780 8.312 ( -5.866 13.763 0.000) 14.961 8.639 ( 5.631 -0.552 0.000) 5.658 8.710 ( 3.133 6.224 0.000) 6.968 9.308 ( 3.629 -3.457 0.000) 5.012 9.516 ( 2.205 3.532 0.000) 4.163 9.521 ( 1.416 -0.218 0.000) 1.433 9.643 ( 2.908 -12.021 0.000) 12.368 9.724 ( -0.694 -4.481 0.000) 4.534 9.760 ( 3.726 -32.346 0.000) 32.560 9.826 ( -5.669 -19.773 0.000) 20.570 10.021 ( -3.761 -22.135 0.000) 22.452 10.148 ( -0.517 -16.954 0.000) 16.962 10.288 ( 2.135 -16.550 0.000) 16.688 10.403 ( 10.403 -2.249 0.000) 10.643 10.629 ( 3.224 0.779 0.000) 3.317 10.788 ( 0.713 13.087 0.000) 13.106 10.880 ( -2.583 -3.754 0.000) 4.557 11.182 ( -6.056 -0.878 0.000) 6.120 11.376 ( 0.290 -1.831 0.000) 1.854 11.428 ( 0.976 -7.526 0.000) 7.588 11.672 ( -9.457 3.181 0.000) 9.978 11.844 ( -3.327 10.954 0.000) 11.449 11.997 ( -0.085 4.915 0.000) 4.916 12.040 ( 6.038 6.087 0.000) 8.574 12.405 ( -3.604 18.098 0.000) 18.454 12.423 ( 5.387 10.809 0.000) 12.077 12.751 ( -10.537 -1.743 0.000) 10.680 13.186 ( 7.777 -1.572 0.000) 7.934 13.549 ( -8.348 -3.891 0.000) 9.211 13.871 ( 6.245 -2.945 0.000) 6.905 14.051 ( -0.502 -5.226 0.000) 5.250 14.876 ( 0.322 -14.045 0.000) 14.049 15.124 ( -8.077 -3.787 0.000) 8.921 15.651 ( 12.874 -6.522 0.000) 14.431 15.666 ( 2.811 -3.860 0.000) 4.775 15.843 ( 2.476 15.207 0.000) 15.408 16.040 ( 1.400 4.791 0.000) 4.992 16.290 ( -1.764 0.356 0.000) 1.800 16.447 ( 0.028 -37.145 0.000) 37.145 16.499 ( -0.941 -27.213 0.000) 27.230 16.875 ( 5.248 -14.291 0.000) 15.224 17.079 ( -15.651 -1.308 0.000) 15.705 17.258 ( -7.643 -12.776 0.000) 14.887 18.873 ( 0.046 6.207 0.000) 6.207 18.954 ( -1.192 6.221 0.000) 6.334 19.813 ( 10.223 -6.420 0.000) 12.072 20.266 ( -2.190 -12.105 0.000) 12.302 21.169 ( 0.669 5.922 0.000) 5.959 21.329 ( -4.111 7.327 0.000) 8.401 21.504 ( 0.170 1.285 0.000) 1.296 21.643 ( -2.597 7.940 0.000) 8.354 22.683 ( -0.946 -1.227 0.000) 1.549 22.683 ( -0.302 -8.944 0.000) 8.949 22.841 ( 4.631 -8.091 0.000) 9.323 22.905 ( 2.290 -15.645 0.000) 15.812 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -0.858 22.271 0.000) 22.287 2.918 ( -11.066 10.267 0.000) 15.096 3.128 ( 5.987 23.387 0.000) 24.141 3.257 ( -5.941 17.461 0.000) 18.444 3.429 ( 1.591 7.519 0.000) 7.685 3.439 ( 3.768 13.412 0.000) 13.931 3.639 ( -1.733 5.186 0.000) 5.468 3.690 ( -3.661 17.601 0.000) 17.978 4.180 ( 2.269 13.242 0.000) 13.435 4.196 ( 1.081 13.073 0.000) 13.118 4.281 ( 1.892 17.867 0.000) 17.967 4.361 ( -5.457 16.493 0.000) 17.372 4.571 ( 2.024 1.466 0.000) 2.499 4.631 ( -3.832 0.128 0.000) 3.834 4.800 ( 10.036 7.060 0.000) 12.270 4.978 ( -7.146 2.019 0.000) 7.426 5.065 ( 0.601 7.682 0.000) 7.705 5.108 ( -1.685 5.846 0.000) 6.084 5.281 ( 18.143 0.995 0.000) 18.170 5.477 ( 1.733 18.112 0.000) 18.195 5.781 ( 5.846 11.501 0.000) 12.902 5.808 ( 0.080 6.997 0.000) 6.997 6.033 ( -9.313 5.843 0.000) 10.995 6.075 ( -6.381 12.882 0.000) 14.376 6.454 ( 10.025 -5.356 0.000) 11.366 6.553 ( -2.400 4.273 0.000) 4.901 6.689 ( 1.234 0.614 0.000) 1.378 6.745 ( -1.644 6.565 0.000) 6.767 6.870 ( -2.757 13.052 0.000) 13.340 6.966 ( -10.801 16.999 0.000) 20.140 7.214 ( 7.574 9.119 0.000) 11.854 7.341 ( 2.149 9.248 0.000) 9.494 7.434 ( -1.066 15.324 0.000) 15.361 7.499 ( 0.229 8.637 0.000) 8.640 7.577 ( 4.106 6.968 0.000) 8.088 7.700 ( -5.592 10.725 0.000) 12.096 7.817 ( 1.538 11.238 0.000) 11.343 7.844 ( -0.937 7.110 0.000) 7.172 8.000 ( 9.598 14.019 0.000) 16.989 8.094 ( -3.337 1.948 0.000) 3.864 8.096 ( -3.173 5.259 0.000) 6.142 8.177 ( -8.011 13.691 0.000) 15.863 8.713 ( 2.191 1.316 0.000) 2.556 8.736 ( -0.212 3.503 0.000) 3.510 9.419 ( 7.085 -4.289 0.000) 8.281 9.524 ( -1.909 -2.792 0.000) 3.382 9.547 ( 1.569 -11.239 0.000) 11.348 9.624 ( -7.202 -17.073 0.000) 18.530 9.738 ( 5.079 0.237 0.000) 5.085 9.789 ( -0.081 2.448 0.000) 2.449 9.844 ( 4.641 -30.889 0.000) 31.236 9.937 ( -4.682 -29.479 0.000) 29.848 10.177 ( 3.678 -16.620 0.000) 17.022 10.271 ( -4.197 -16.508 0.000) 17.033 10.608 ( 9.846 -1.631 0.000) 9.980 10.721 ( 3.706 2.322 0.000) 4.373 10.793 ( -5.152 3.489 0.000) 6.222 10.799 ( -0.387 11.690 0.000) 11.697 11.153 ( 4.043 -1.568 0.000) 4.336 11.296 ( -7.916 -2.960 0.000) 8.451 11.422 ( -0.309 -3.905 0.000) 3.917 11.482 ( -7.525 1.296 0.000) 7.636 11.880 ( 5.441 8.329 0.000) 9.949 11.973 ( -3.000 3.955 0.000) 4.964 12.159 ( 6.348 7.855 0.000) 10.099 12.296 ( -7.204 13.133 0.000) 14.979 12.515 ( 3.766 5.722 0.000) 6.850 12.592 ( -5.279 2.950 0.000) 6.048 13.310 ( 5.173 -3.444 0.000) 6.215 13.410 ( -5.717 -3.129 0.000) 6.518 13.969 ( 3.894 -2.218 0.000) 4.482 14.027 ( -2.063 -2.950 0.000) 3.599 14.902 ( 2.724 -12.113 0.000) 12.415 14.986 ( -5.796 -9.197 0.000) 10.871 15.728 ( 3.033 -1.761 0.000) 3.507 15.766 ( -0.302 1.210 0.000) 1.247 16.020 ( 10.550 7.042 0.000) 12.684 16.073 ( 1.471 4.514 0.000) 4.748 16.301 ( 7.001 -1.105 0.000) 7.088 16.456 ( 0.950 -30.263 0.000) 30.278 16.474 ( -1.547 -30.487 0.000) 30.526 16.654 ( -23.532 4.441 0.000) 23.947 17.000 ( 7.002 -13.591 0.000) 15.289 17.133 ( -6.383 -12.734 0.000) 14.244 18.888 ( 1.473 6.428 0.000) 6.595 18.923 ( -1.858 6.330 0.000) 6.597 20.026 ( 10.262 -10.180 0.000) 14.455 20.188 ( -6.087 -12.052 0.000) 13.502 21.191 ( 1.712 6.940 0.000) 7.148 21.244 ( -3.861 7.705 0.000) 8.618 21.523 ( 2.006 3.887 0.000) 4.374 21.580 ( -3.474 6.295 0.000) 7.191 22.676 ( 0.072 -3.378 0.000) 3.379 22.679 ( -0.145 -6.432 0.000) 6.434 22.919 ( 2.772 -12.076 0.000) 12.390 22.939 ( 0.657 -14.560 0.000) 14.574 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 0.000 -4.487 0.000) 4.487 3.425 ( 0.000 12.542 0.000) 12.542 3.499 ( 0.000 16.866 0.000) 16.866 3.570 ( 0.000 5.449 0.000) 5.449 3.634 ( 0.000 5.522 0.000) 5.522 3.702 ( 0.000 27.304 0.000) 27.304 3.713 ( 0.000 -2.606 0.000) 2.606 4.175 ( 0.000 18.805 0.000) 18.805 4.266 ( 0.000 8.626 0.000) 8.626 4.271 ( 0.000 8.007 0.000) 8.007 4.425 ( 0.000 8.078 0.000) 8.078 4.522 ( 0.000 4.551 0.000) 4.551 4.607 ( 0.000 7.545 0.000) 7.545 4.679 ( 0.000 6.700 0.000) 6.700 4.729 ( 0.000 0.647 0.000) 0.647 5.025 ( 0.000 6.752 0.000) 6.752 5.151 ( 0.000 -1.873 0.000) 1.873 5.281 ( 0.000 5.820 0.000) 5.820 5.410 ( 0.000 10.895 0.000) 10.895 5.591 ( 0.000 17.596 0.000) 17.596 5.847 ( 0.000 -0.219 0.000) 0.219 5.920 ( 0.000 20.020 0.000) 20.020 5.985 ( 0.000 -7.384 0.000) 7.384 6.086 ( 0.000 0.572 0.000) 0.572 6.547 ( 0.000 10.585 0.000) 10.585 6.729 ( 0.000 -15.617 0.000) 15.617 6.855 ( 0.000 -0.759 0.000) 0.759 6.946 ( 0.000 -4.677 0.000) 4.677 7.099 ( 0.000 11.932 0.000) 11.932 7.200 ( 0.000 15.996 0.000) 15.996 7.244 ( 0.000 6.369 0.000) 6.369 7.375 ( 0.000 -2.659 0.000) 2.659 7.569 ( 0.000 10.027 0.000) 10.027 7.596 ( 0.000 11.747 0.000) 11.747 7.730 ( 0.000 9.408 0.000) 9.408 7.849 ( 0.000 8.616 0.000) 8.616 7.998 ( 0.000 6.192 0.000) 6.192 8.082 ( 0.000 8.967 0.000) 8.967 8.210 ( 0.000 14.441 0.000) 14.441 8.411 ( 0.000 7.081 0.000) 7.081 8.502 ( 0.000 9.451 0.000) 9.451 8.502 ( 0.000 -5.171 0.000) 5.171 8.597 ( 0.000 7.428 0.000) 7.428 8.887 ( 0.000 12.529 0.000) 12.529 9.128 ( 0.000 -15.347 0.000) 15.347 9.192 ( 0.000 -5.078 0.000) 5.078 9.235 ( 0.000 -25.453 0.000) 25.453 9.420 ( 0.000 -11.005 0.000) 11.005 9.554 ( 0.000 2.141 0.000) 2.141 9.636 ( 0.000 8.199 0.000) 8.199 9.702 ( 0.000 -1.775 0.000) 1.775 9.890 ( 0.000 -4.812 0.000) 4.812 9.924 ( 0.000 -6.337 0.000) 6.337 10.038 ( 0.000 -4.070 0.000) 4.070 10.374 ( 0.000 8.950 0.000) 8.950 10.608 ( 0.000 1.978 0.000) 1.978 10.752 ( 0.000 -11.332 0.000) 11.332 10.981 ( 0.000 4.725 0.000) 4.725 11.226 ( 0.000 -13.111 0.000) 13.111 11.237 ( 0.000 -5.035 0.000) 5.035 11.318 ( 0.000 3.210 0.000) 3.210 11.914 ( 0.000 10.492 0.000) 10.492 11.986 ( 0.000 4.419 0.000) 4.419 12.015 ( 0.000 -6.027 0.000) 6.027 12.116 ( 0.000 6.426 0.000) 6.426 12.691 ( 0.000 17.782 0.000) 17.782 12.759 ( 0.000 13.467 0.000) 13.467 12.779 ( 0.000 -1.064 0.000) 1.064 13.200 ( 0.000 8.040 0.000) 8.040 13.513 ( 0.000 -9.325 0.000) 9.325 13.789 ( 0.000 3.726 0.000) 3.726 13.905 ( 0.000 -8.635 0.000) 8.635 14.562 ( 0.000 -16.649 0.000) 16.649 15.050 ( 0.000 -25.157 0.000) 25.157 15.231 ( 0.000 -33.128 0.000) 33.128 15.325 ( 0.000 -11.442 0.000) 11.442 15.644 ( 0.000 -16.727 0.000) 16.727 16.097 ( 0.000 3.177 0.000) 3.177 16.231 ( 0.000 13.429 0.000) 13.429 16.258 ( 0.000 -6.609 0.000) 6.609 16.264 ( 0.000 -1.619 0.000) 1.619 16.705 ( 0.000 -0.274 0.000) 0.274 17.140 ( 0.000 -1.128 0.000) 1.128 17.210 ( 0.000 -6.243 0.000) 6.243 19.000 ( 0.000 6.921 0.000) 6.921 19.105 ( 0.000 8.236 0.000) 8.236 19.598 ( 0.000 -6.329 0.000) 6.329 20.037 ( 0.000 -13.528 0.000) 13.528 21.244 ( 0.000 3.227 0.000) 3.227 21.472 ( 0.000 -1.040 0.000) 1.040 21.472 ( 0.000 1.800 0.000) 1.800 21.758 ( 0.000 0.612 0.000) 0.612 22.523 ( 0.000 -6.811 0.000) 6.811 22.612 ( 0.000 -10.793 0.000) 10.793 22.683 ( 0.000 -1.410 0.000) 1.410 22.692 ( 0.000 -3.237 0.000) 3.237 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -5.932 -1.333 0.000) 6.079 3.384 ( -5.121 16.404 0.000) 17.185 3.492 ( 0.691 19.048 0.000) 19.061 3.571 ( -4.987 12.487 0.000) 13.446 3.645 ( 6.378 6.714 0.000) 9.260 3.662 ( -2.657 15.444 0.000) 15.671 3.683 ( -3.131 2.185 0.000) 3.818 4.139 ( -3.694 18.187 0.000) 18.558 4.307 ( 3.031 7.868 0.000) 8.431 4.338 ( 5.233 6.966 0.000) 8.713 4.510 ( 6.085 9.640 0.000) 11.400 4.560 ( 2.204 1.385 0.000) 2.604 4.619 ( 1.490 8.223 0.000) 8.357 4.669 ( -2.317 -1.558 0.000) 2.792 4.799 ( 10.653 2.370 0.000) 10.914 4.993 ( -2.169 10.225 0.000) 10.453 5.112 ( -3.563 -0.666 0.000) 3.625 5.253 ( -8.630 8.673 0.000) 12.236 5.278 ( -0.624 4.999 0.000) 5.038 5.705 ( 3.091 10.297 0.000) 10.751 5.865 ( 2.010 1.216 0.000) 2.349 5.955 ( 4.742 17.797 0.000) 18.418 6.096 ( 7.917 -7.305 0.000) 10.772 6.140 ( 4.821 0.644 0.000) 4.864 6.344 ( -12.346 2.434 0.000) 12.584 6.686 ( -11.824 0.818 0.000) 11.853 6.781 ( 0.841 -4.130 0.000) 4.215 7.048 ( 9.005 2.848 0.000) 9.445 7.060 ( -7.092 14.049 0.000) 15.737 7.209 ( -1.007 3.926 0.000) 4.053 7.313 ( 8.813 9.714 0.000) 13.116 7.467 ( -7.985 12.061 0.000) 14.465 7.475 ( 7.895 -1.607 0.000) 8.056 7.613 ( 4.089 9.894 0.000) 10.706 7.744 ( -0.309 9.866 0.000) 9.871 7.926 ( -0.371 4.311 0.000) 4.327 8.003 ( 5.151 8.603 0.000) 10.027 8.074 ( -0.790 9.596 0.000) 9.629 8.143 ( -5.494 11.649 0.000) 12.879 8.346 ( -5.527 8.901 0.000) 10.477 8.414 ( -4.906 14.980 0.000) 15.763 8.470 ( -3.106 -4.058 0.000) 5.110 8.703 ( 6.378 5.302 0.000) 8.294 8.887 ( -0.431 10.092 0.000) 10.101 9.143 ( 1.004 -15.630 0.000) 15.662 9.200 ( 1.307 -5.634 0.000) 5.783 9.205 ( -2.409 -22.866 0.000) 22.992 9.437 ( 0.419 -15.561 0.000) 15.567 9.547 ( -0.140 -0.874 0.000) 0.885 9.635 ( -5.209 -1.774 0.000) 5.503 9.704 ( 5.909 9.309 0.000) 11.027 9.907 ( 1.030 0.013 0.000) 1.030 9.930 ( 1.065 -5.138 0.000) 5.247 10.074 ( 2.194 -4.664 0.000) 5.154 10.445 ( 6.536 5.324 0.000) 8.430 10.636 ( 2.742 -2.187 0.000) 3.507 10.799 ( 4.678 -4.518 0.000) 6.504 10.974 ( -0.394 4.123 0.000) 4.141 11.161 ( -5.240 -1.759 0.000) 5.527 11.233 ( -0.280 -12.881 0.000) 12.884 11.346 ( 1.463 0.336 0.000) 1.501 11.796 ( -10.514 10.216 0.000) 14.660 11.986 ( -0.035 5.731 0.000) 5.731 12.010 ( -0.619 -5.483 0.000) 5.518 12.163 ( 4.175 5.597 0.000) 6.983 12.664 ( -8.210 6.976 0.000) 10.774 12.693 ( 0.274 15.559 0.000) 15.562 12.766 ( -1.718 7.850 0.000) 8.036 13.231 ( 2.670 5.201 0.000) 5.847 13.448 ( -4.978 -5.637 0.000) 7.520 13.850 ( 4.619 0.896 0.000) 4.705 13.926 ( 1.682 -7.475 0.000) 7.662 14.569 ( 0.917 -16.758 0.000) 16.783 14.899 ( -10.304 -19.117 0.000) 21.717 15.255 ( 2.417 -33.542 0.000) 33.629 15.410 ( 2.260 -29.900 0.000) 29.985 15.743 ( 11.370 -4.920 0.000) 12.389 16.108 ( 1.034 2.725 0.000) 2.914 16.201 ( -1.710 2.794 0.000) 3.276 16.249 ( -1.652 -1.700 0.000) 2.371 16.312 ( 4.282 5.064 0.000) 6.631 16.755 ( 4.772 -0.898 0.000) 4.855 17.060 ( -12.681 -1.327 0.000) 12.751 17.112 ( -4.482 -2.826 0.000) 5.298 19.004 ( 0.569 7.312 0.000) 7.335 19.093 ( -1.183 8.200 0.000) 8.285 19.671 ( 6.574 -8.190 0.000) 10.502 20.015 ( -2.313 -13.525 0.000) 13.721 21.256 ( 1.152 3.364 0.000) 3.556 21.433 ( -3.596 3.917 0.000) 5.317 21.488 ( 1.722 -2.401 0.000) 2.955 21.720 ( -3.657 0.159 0.000) 3.661 22.537 ( 1.449 -5.927 0.000) 6.102 22.648 ( 2.997 -10.524 0.000) 10.943 22.655 ( -1.645 -1.527 0.000) 2.244 22.718 ( 1.282 -4.690 0.000) 4.862 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 1.244 10.022 0.000) 10.099 3.224 ( -8.935 18.941 0.000) 20.943 3.525 ( 2.115 17.265 0.000) 17.394 3.532 ( 0.606 9.287 0.000) 9.307 3.606 ( -2.787 12.265 0.000) 12.577 3.606 ( -3.400 3.449 0.000) 4.843 3.814 ( 10.234 11.973 0.000) 15.751 4.015 ( -9.133 14.793 0.000) 17.386 4.369 ( 3.080 6.996 0.000) 7.644 4.403 ( 0.602 7.995 0.000) 8.017 4.577 ( 0.331 1.020 0.000) 1.072 4.586 ( 0.490 8.942 0.000) 8.955 4.631 ( 0.776 3.274 0.000) 3.365 4.650 ( 0.527 10.175 0.000) 10.188 4.985 ( 1.344 11.699 0.000) 11.776 5.033 ( -3.293 4.263 0.000) 5.387 5.088 ( 10.504 -7.874 0.000) 13.127 5.147 ( -2.123 1.218 0.000) 2.448 5.299 ( 8.131 3.621 0.000) 8.901 5.606 ( -14.251 -1.737 0.000) 14.357 5.909 ( 1.717 3.904 0.000) 4.265 5.946 ( -3.661 3.494 0.000) 5.060 6.237 ( 3.946 2.798 0.000) 4.837 6.238 ( 5.745 14.553 0.000) 15.646 6.301 ( 6.073 -8.120 0.000) 10.140 6.471 ( -9.782 -2.470 0.000) 10.089 6.796 ( 2.103 4.360 0.000) 4.841 6.897 ( -7.995 12.480 0.000) 14.821 7.147 ( 2.782 12.095 0.000) 12.411 7.254 ( -7.846 12.950 0.000) 15.141 7.345 ( 13.189 4.664 0.000) 13.989 7.513 ( 3.424 6.824 0.000) 7.635 7.599 ( 2.756 0.677 0.000) 2.838 7.647 ( -8.253 8.868 0.000) 12.114 7.727 ( 7.612 7.865 0.000) 10.945 7.858 ( -4.726 2.502 0.000) 5.348 8.042 ( -2.033 10.750 0.000) 10.940 8.049 ( -1.657 9.352 0.000) 9.498 8.155 ( 6.078 6.953 0.000) 9.235 8.244 ( -4.200 10.820 0.000) 11.607 8.349 ( -0.943 14.262 0.000) 14.293 8.393 ( -4.273 2.155 0.000) 4.786 8.805 ( 3.963 6.141 0.000) 7.309 8.862 ( -2.055 7.822 0.000) 8.087 9.150 ( 0.117 -16.255 0.000) 16.256 9.164 ( -1.449 -19.193 0.000) 19.247 9.266 ( 5.195 -10.290 0.000) 11.527 9.382 ( -5.784 -16.281 0.000) 17.278 9.553 ( 0.610 -3.284 0.000) 3.340 9.569 ( -1.302 -2.198 0.000) 2.554 9.826 ( 5.607 7.601 0.000) 9.446 9.902 ( -2.016 4.582 0.000) 5.006 9.984 ( 4.355 -4.576 0.000) 6.317 10.068 ( -3.109 -5.421 0.000) 6.249 10.591 ( 7.297 0.174 0.000) 7.299 10.679 ( -0.447 -4.169 0.000) 4.193 10.908 ( 5.188 3.326 0.000) 6.162 10.967 ( -0.927 3.079 0.000) 3.215 11.108 ( 1.339 -3.803 0.000) 4.032 11.186 ( -4.465 -9.392 0.000) 10.399 11.391 ( 4.607 2.901 0.000) 5.444 11.561 ( -11.962 8.493 0.000) 14.670 11.984 ( -0.022 2.414 0.000) 2.414 11.993 ( -0.897 -2.959 0.000) 3.092 12.283 ( 8.261 6.294 0.000) 10.386 12.473 ( -10.508 7.150 0.000) 12.710 12.704 ( 0.885 12.021 0.000) 12.054 12.729 ( -1.731 10.081 0.000) 10.228 13.289 ( 3.168 1.501 0.000) 3.506 13.358 ( -4.003 -1.587 0.000) 4.306 13.927 ( 2.751 -1.878 0.000) 3.331 13.950 ( 0.342 -4.732 0.000) 4.744 14.610 ( 3.670 -17.223 0.000) 17.610 14.720 ( -7.574 -17.717 0.000) 19.268 15.317 ( 3.674 -34.451 0.000) 34.646 15.388 ( -3.134 -35.061 0.000) 35.201 16.014 ( 13.074 -2.986 0.000) 13.411 16.134 ( 1.568 1.615 0.000) 2.251 16.168 ( -1.675 0.785 0.000) 1.850 16.189 ( -5.050 -2.506 0.000) 5.637 16.444 ( 10.476 8.904 0.000) 13.749 16.737 ( -17.921 4.708 0.000) 18.529 16.875 ( 7.008 -1.746 0.000) 7.222 17.009 ( -6.327 -2.055 0.000) 6.653 19.026 ( 1.630 7.804 0.000) 7.973 19.062 ( -1.872 8.074 0.000) 8.289 19.816 ( 7.507 -11.219 0.000) 13.499 19.943 ( -5.155 -13.035 0.000) 14.017 21.290 ( 2.481 3.809 0.000) 4.546 21.354 ( -3.967 4.143 0.000) 5.736 21.543 ( 3.812 -1.435 0.000) 4.073 21.631 ( -4.932 -0.621 0.000) 4.971 22.576 ( 2.331 -4.113 0.000) 4.728 22.620 ( -2.040 -2.422 0.000) 3.167 22.704 ( 2.356 -9.490 0.000) 9.778 22.730 ( -0.250 -7.407 0.000) 7.411 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 0.000 -3.450 0.000) 3.450 3.359 ( 0.000 -13.427 0.000) 13.427 3.601 ( 0.000 6.390 0.000) 6.390 3.698 ( 0.000 1.180 0.000) 1.180 3.807 ( 0.000 12.734 0.000) 12.734 3.905 ( 0.000 9.012 0.000) 9.012 4.203 ( 0.000 21.547 0.000) 21.547 4.349 ( 0.000 4.231 0.000) 4.231 4.411 ( 0.000 6.616 0.000) 6.616 4.534 ( 0.000 13.233 0.000) 13.233 4.541 ( 0.000 2.786 0.000) 2.786 4.562 ( 0.000 1.511 0.000) 1.511 4.740 ( 0.000 0.789 0.000) 0.789 4.763 ( 0.000 7.456 0.000) 7.456 4.764 ( 0.000 2.019 0.000) 2.019 5.050 ( 0.000 -3.911 0.000) 3.911 5.155 ( 0.000 2.840 0.000) 2.840 5.329 ( 0.000 -1.356 0.000) 1.356 5.550 ( 0.000 5.069 0.000) 5.069 5.812 ( 0.000 -5.585 0.000) 5.585 5.893 ( 0.000 4.901 0.000) 4.901 5.956 ( 0.000 13.321 0.000) 13.321 6.073 ( 0.000 -1.931 0.000) 1.931 6.204 ( 0.000 3.255 0.000) 3.255 6.567 ( 0.000 4.080 0.000) 4.080 6.692 ( 0.000 3.776 0.000) 3.776 6.887 ( 0.000 1.935 0.000) 1.935 6.908 ( 0.000 7.402 0.000) 7.402 7.267 ( 0.000 4.470 0.000) 4.470 7.279 ( 0.000 -2.903 0.000) 2.903 7.340 ( 0.000 -0.653 0.000) 0.653 7.437 ( 0.000 7.743 0.000) 7.743 7.580 ( 0.000 -12.683 0.000) 12.683 7.680 ( 0.000 -13.622 0.000) 13.622 7.814 ( 0.000 9.222 0.000) 9.222 7.938 ( 0.000 1.402 0.000) 1.402 8.147 ( 0.000 9.904 0.000) 9.904 8.182 ( 0.000 1.771 0.000) 1.771 8.225 ( 0.000 -8.081 0.000) 8.081 8.377 ( 0.000 2.520 0.000) 2.520 8.601 ( 0.000 9.876 0.000) 9.876 8.698 ( 0.000 9.623 0.000) 9.623 8.717 ( 0.000 5.399 0.000) 5.399 8.937 ( 0.000 -5.619 0.000) 5.619 9.007 ( 0.000 -0.967 0.000) 0.967 9.148 ( 0.000 8.499 0.000) 8.499 9.175 ( 0.000 -11.891 0.000) 11.891 9.279 ( 0.000 9.367 0.000) 9.367 9.584 ( 0.000 2.284 0.000) 2.284 9.694 ( 0.000 0.801 0.000) 0.801 9.763 ( 0.000 3.627 0.000) 3.627 9.803 ( 0.000 -4.182 0.000) 4.182 9.994 ( 0.000 12.251 0.000) 12.251 10.098 ( 0.000 7.451 0.000) 7.451 10.484 ( 0.000 -14.769 0.000) 14.769 10.537 ( 0.000 5.327 0.000) 5.327 10.694 ( 0.000 7.864 0.000) 7.864 10.895 ( 0.000 -17.764 0.000) 17.764 10.963 ( 0.000 -5.290 0.000) 5.290 11.138 ( 0.000 -7.212 0.000) 7.212 11.416 ( 0.000 6.671 0.000) 6.671 11.793 ( 0.000 -13.777 0.000) 13.777 12.050 ( 0.000 4.767 0.000) 4.767 12.172 ( 0.000 -0.053 0.000) 0.053 12.250 ( 0.000 19.765 0.000) 19.765 12.876 ( 0.000 8.701 0.000) 8.701 12.903 ( 0.000 -2.308 0.000) 2.308 12.964 ( 0.000 7.476 0.000) 7.476 13.358 ( 0.000 8.293 0.000) 8.293 13.462 ( 0.000 9.679 0.000) 9.679 13.725 ( 0.000 -9.850 0.000) 9.850 13.881 ( 0.000 4.816 0.000) 4.816 14.275 ( 0.000 -11.114 0.000) 11.114 14.551 ( 0.000 -23.875 0.000) 23.875 14.594 ( 0.000 -28.612 0.000) 28.612 14.770 ( 0.000 -29.539 0.000) 29.539 15.728 ( 0.000 10.809 0.000) 10.809 16.111 ( 0.000 -8.274 0.000) 8.274 16.162 ( 0.000 3.581 0.000) 3.581 16.263 ( 0.000 -0.450 0.000) 0.450 16.476 ( 0.000 10.752 0.000) 10.752 16.703 ( 0.000 -1.214 0.000) 1.214 17.130 ( 0.000 -0.340 0.000) 0.340 17.134 ( 0.000 -1.827 0.000) 1.827 19.143 ( 0.000 7.773 0.000) 7.773 19.287 ( 0.000 10.540 0.000) 10.540 19.458 ( 0.000 -7.902 0.000) 7.902 19.770 ( 0.000 -13.743 0.000) 13.743 21.298 ( 0.000 2.505 0.000) 2.505 21.409 ( 0.000 -3.371 0.000) 3.371 21.537 ( 0.000 3.409 0.000) 3.409 21.712 ( 0.000 -4.514 0.000) 4.514 22.429 ( 0.000 -2.915 0.000) 2.915 22.462 ( 0.000 -4.908 0.000) 4.908 22.648 ( 0.000 -1.316 0.000) 1.316 22.655 ( 0.000 -1.286 0.000) 1.286 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 3.431 1.760 0.000) 3.856 3.464 ( 8.375 -11.708 0.000) 14.395 3.593 ( -1.013 7.008 0.000) 7.081 3.684 ( -1.649 2.123 0.000) 2.688 3.804 ( -0.112 12.414 0.000) 12.414 3.913 ( 1.281 8.311 0.000) 8.409 4.073 ( -10.758 20.773 0.000) 23.393 4.365 ( -0.887 4.973 0.000) 5.051 4.438 ( 3.123 4.465 0.000) 5.449 4.486 ( -4.388 9.331 0.000) 10.312 4.563 ( 0.693 0.602 0.000) 0.918 4.587 ( 1.940 -1.277 0.000) 2.322 4.720 ( 1.156 5.368 0.000) 5.491 4.768 ( 0.848 6.577 0.000) 6.631 4.827 ( 4.740 0.150 0.000) 4.742 5.043 ( -0.618 -4.548 0.000) 4.590 5.143 ( -0.764 4.143 0.000) 4.213 5.322 ( -0.353 -0.903 0.000) 0.969 5.450 ( -8.059 10.235 0.000) 13.027 5.763 ( -6.143 -3.723 0.000) 7.183 5.921 ( 2.673 4.597 0.000) 5.318 6.031 ( 3.701 1.618 0.000) 4.039 6.109 ( -5.427 -1.232 0.000) 5.565 6.112 ( 3.374 -3.287 0.000) 4.711 6.502 ( -1.269 14.190 0.000) 14.246 6.786 ( 6.482 3.913 0.000) 7.572 6.787 ( -9.821 10.465 0.000) 14.351 7.092 ( 16.051 1.940 0.000) 16.168 7.241 ( -5.614 3.639 0.000) 6.690 7.276 ( 1.230 3.525 0.000) 3.733 7.418 ( 6.665 -5.109 0.000) 8.398 7.449 ( 2.191 3.924 0.000) 4.494 7.605 ( 2.368 -13.372 0.000) 13.580 7.662 ( -2.381 -5.928 0.000) 6.388 7.736 ( -3.728 3.694 0.000) 5.248 7.972 ( -2.010 -0.315 0.000) 2.035 8.143 ( 1.073 8.424 0.000) 8.492 8.181 ( 0.120 1.978 0.000) 1.982 8.248 ( 1.692 -6.305 0.000) 6.528 8.330 ( -4.006 5.643 0.000) 6.920 8.553 ( -3.859 11.173 0.000) 11.821 8.658 ( -3.666 8.490 0.000) 9.248 8.756 ( 3.240 2.829 0.000) 4.301 8.911 ( -2.257 -6.269 0.000) 6.663 9.032 ( 2.367 0.689 0.000) 2.465 9.139 ( -0.926 7.152 0.000) 7.211 9.166 ( -0.671 -10.498 0.000) 10.520 9.266 ( -1.422 7.653 0.000) 7.784 9.561 ( -1.037 4.140 0.000) 4.268 9.647 ( -3.356 2.998 0.000) 4.501 9.837 ( 2.675 -4.907 0.000) 5.589 9.842 ( 5.930 1.703 0.000) 6.169 10.027 ( 2.687 12.227 0.000) 12.519 10.114 ( 0.287 8.177 0.000) 8.182 10.490 ( 2.317 -10.922 0.000) 11.165 10.559 ( 2.099 3.873 0.000) 4.405 10.777 ( 6.786 2.794 0.000) 7.338 10.907 ( 1.082 -16.925 0.000) 16.960 10.953 ( -0.909 -5.751 0.000) 5.823 11.088 ( -4.639 -6.630 0.000) 8.092 11.432 ( 2.220 7.410 0.000) 7.735 11.811 ( 1.993 -12.333 0.000) 12.493 11.991 ( -7.561 7.313 0.000) 10.519 12.099 ( -4.833 3.516 0.000) 5.977 12.312 ( 5.222 13.456 0.000) 14.434 12.819 ( -6.222 9.741 0.000) 11.559 12.878 ( -1.856 -1.886 0.000) 2.646 12.934 ( -2.287 6.631 0.000) 7.015 13.360 ( 0.368 7.924 0.000) 7.932 13.445 ( -1.529 9.842 0.000) 9.960 13.759 ( 3.213 -9.955 0.000) 10.461 13.893 ( 0.727 2.169 0.000) 2.288 14.279 ( 0.436 -10.966 0.000) 10.974 14.479 ( -6.028 -20.594 0.000) 21.458 14.618 ( 2.259 -28.464 0.000) 28.554 14.768 ( -0.750 -29.735 0.000) 29.744 15.826 ( 8.996 7.768 0.000) 11.885 16.120 ( 0.821 -6.442 0.000) 6.494 16.161 ( -0.191 2.869 0.000) 2.876 16.245 ( -1.995 -0.520 0.000) 2.062 16.516 ( 4.091 10.458 0.000) 11.230 16.744 ( 4.039 -1.475 0.000) 4.300 17.048 ( -8.336 0.523 0.000) 8.353 17.090 ( -3.931 -0.715 0.000) 3.996 19.156 ( 1.279 8.282 0.000) 8.380 19.274 ( -1.353 10.411 0.000) 10.498 19.501 ( 4.040 -9.092 0.000) 9.949 19.750 ( -2.074 -13.591 0.000) 13.748 21.312 ( 1.421 2.653 0.000) 3.009 21.429 ( 2.060 -3.404 0.000) 3.978 21.501 ( -3.368 3.453 0.000) 4.824 21.671 ( -3.884 -4.408 0.000) 5.875 22.456 ( 2.641 -2.400 0.000) 3.568 22.499 ( 3.258 -5.018 0.000) 5.983 22.629 ( -1.681 -0.941 0.000) 1.926 22.652 ( -0.665 -2.297 0.000) 2.392 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 10.418 9.734 0.000) 14.258 3.517 ( -8.564 10.718 0.000) 13.719 3.599 ( 4.114 -3.241 0.000) 5.238 3.642 ( -1.694 2.883 0.000) 3.344 3.814 ( 1.477 11.959 0.000) 12.050 3.883 ( -6.566 15.276 0.000) 16.627 3.996 ( 8.233 5.045 0.000) 9.656 4.213 ( -12.164 4.204 0.000) 12.870 4.475 ( 2.191 4.352 0.000) 4.873 4.502 ( 1.349 2.573 0.000) 2.905 4.578 ( -0.563 -2.125 0.000) 2.198 4.582 ( 0.489 -0.178 0.000) 0.521 4.782 ( 2.554 5.328 0.000) 5.909 4.791 ( 0.966 4.871 0.000) 4.966 4.939 ( 5.965 -5.757 0.000) 8.290 5.020 ( -2.146 -8.225 0.000) 8.500 5.158 ( 3.117 8.316 0.000) 8.881 5.278 ( -8.628 12.233 0.000) 14.970 5.357 ( 5.647 0.971 0.000) 5.730 5.557 ( -13.048 -2.146 0.000) 13.223 5.976 ( 2.259 3.444 0.000) 4.119 5.999 ( -0.861 2.375 0.000) 2.526 6.153 ( 3.120 -6.779 0.000) 7.463 6.170 ( 1.607 -6.449 0.000) 6.647 6.515 ( 2.077 15.542 0.000) 15.680 6.603 ( -7.548 14.350 0.000) 16.214 6.921 ( 7.422 6.078 0.000) 9.593 7.083 ( -8.957 5.229 0.000) 10.372 7.327 ( 5.498 4.261 0.000) 6.956 7.433 ( 15.422 5.806 0.000) 16.478 7.433 ( -4.514 3.098 0.000) 5.475 7.567 ( 7.542 -6.714 0.000) 10.097 7.619 ( -2.768 3.988 0.000) 4.855 7.667 ( 4.108 -11.474 0.000) 12.188 7.678 ( -3.537 -11.485 0.000) 12.017 7.820 ( -11.227 2.008 0.000) 11.405 8.187 ( 1.988 3.138 0.000) 3.715 8.191 ( 0.761 5.569 0.000) 5.620 8.258 ( -2.381 5.748 0.000) 6.222 8.260 ( -0.923 -4.115 0.000) 4.217 8.511 ( 0.757 12.167 0.000) 12.190 8.572 ( -4.507 9.970 0.000) 10.941 8.818 ( 2.739 -3.452 0.000) 4.407 8.864 ( -2.303 -6.763 0.000) 7.144 9.081 ( 2.114 1.997 0.000) 2.908 9.114 ( -1.488 4.341 0.000) 4.589 9.170 ( 1.721 -3.091 0.000) 3.538 9.223 ( -2.882 4.022 0.000) 4.948 9.561 ( 0.875 5.564 0.000) 5.633 9.591 ( -2.203 5.125 0.000) 5.578 9.897 ( 3.183 -5.809 0.000) 6.624 9.927 ( 1.453 -3.986 0.000) 4.242 10.071 ( 1.334 13.274 0.000) 13.341 10.091 ( -1.552 12.162 0.000) 12.261 10.573 ( 4.262 -7.077 0.000) 8.261 10.601 ( 1.300 -1.040 0.000) 1.665 10.893 ( 3.897 -2.902 0.000) 4.859 10.930 ( 0.389 -9.250 0.000) 9.258 10.936 ( 0.130 -9.753 0.000) 9.754 10.989 ( -4.531 -7.884 0.000) 9.093 11.538 ( 9.208 10.087 0.000) 13.658 11.771 ( -13.200 10.732 0.000) 17.012 11.877 ( 4.841 -7.574 0.000) 8.989 11.992 ( -6.275 -1.301 0.000) 6.408 12.454 ( 9.154 11.898 0.000) 15.012 12.650 ( -10.177 10.971 0.000) 14.965 12.860 ( 0.358 0.568 0.000) 0.671 12.889 ( -2.233 4.288 0.000) 4.834 13.377 ( 1.361 7.963 0.000) 8.078 13.410 ( -1.873 9.102 0.000) 9.293 13.833 ( 3.816 -8.489 0.000) 9.307 13.889 ( -1.503 -3.599 0.000) 3.900 14.299 ( 1.928 -11.654 0.000) 11.813 14.365 ( -4.888 -15.258 0.000) 16.021 14.674 ( 3.209 -28.498 0.000) 28.678 14.733 ( -2.643 -29.102 0.000) 29.222 16.024 ( 9.845 2.420 0.000) 10.138 16.138 ( 0.954 -2.667 0.000) 2.833 16.154 ( -0.583 0.733 0.000) 0.936 16.175 ( -5.446 -0.247 0.000) 5.452 16.639 ( 8.570 9.418 0.000) 12.734 16.842 ( -11.532 5.644 0.000) 12.839 16.852 ( 6.630 -1.771 0.000) 6.862 16.985 ( -6.509 -1.433 0.000) 6.665 19.191 ( 2.258 9.227 0.000) 9.499 19.237 ( -2.256 9.986 0.000) 10.238 19.597 ( 5.197 -11.299 0.000) 12.437 19.690 ( -4.066 -12.899 0.000) 13.525 21.354 ( 2.918 3.051 0.000) 4.222 21.424 ( -4.059 3.399 0.000) 5.294 21.488 ( 3.998 -3.633 0.000) 5.402 21.579 ( -5.018 -4.059 0.000) 6.454 22.520 ( 3.555 -1.639 0.000) 3.915 22.569 ( 3.490 -4.677 0.000) 5.836 22.585 ( -2.879 -1.098 0.000) 3.081 22.625 ( -2.146 -3.643 0.000) 4.228 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.000 -5.627 0.000) 5.627 3.166 ( 0.000 5.627 0.000) 5.627 3.685 ( 0.000 -2.450 0.000) 2.450 3.685 ( 0.000 2.450 0.000) 2.450 3.965 ( 0.000 -2.952 0.000) 2.952 3.965 ( 0.000 2.952 0.000) 2.952 4.400 ( 0.000 -0.017 0.000) 0.017 4.400 ( 0.000 0.017 0.000) 0.017 4.520 ( 0.000 -4.159 0.000) 4.159 4.520 ( 0.000 4.159 0.000) 4.159 4.656 ( 0.000 -2.963 0.000) 2.963 4.656 ( 0.000 2.963 0.000) 2.963 4.766 ( 0.000 -1.311 0.000) 1.311 4.766 ( 0.000 1.311 0.000) 1.311 4.896 ( 0.000 -8.578 0.000) 8.578 4.896 ( 0.000 8.578 0.000) 8.578 5.249 ( 0.000 -5.746 0.000) 5.746 5.249 ( 0.000 5.746 0.000) 5.746 5.666 ( 0.000 -7.375 0.000) 7.375 5.666 ( 0.000 7.375 0.000) 7.375 6.003 ( 0.000 -5.287 0.000) 5.287 6.003 ( 0.000 5.287 0.000) 5.287 6.151 ( 0.000 -5.639 0.000) 5.639 6.151 ( 0.000 5.639 0.000) 5.639 6.712 ( 0.000 -4.323 0.000) 4.323 6.712 ( 0.000 4.323 0.000) 4.323 7.051 ( 0.000 -15.994 0.000) 15.994 7.051 ( 0.000 15.994 0.000) 15.994 7.147 ( 0.000 -15.136 0.000) 15.136 7.147 ( 0.000 15.136 0.000) 15.136 7.375 ( 0.000 -4.589 0.000) 4.589 7.375 ( 0.000 4.590 0.000) 4.590 7.511 ( 0.000 -1.829 0.000) 1.829 7.511 ( 0.000 1.830 0.000) 1.830 7.927 ( 0.000 -2.687 0.000) 2.687 7.927 ( 0.000 2.687 0.000) 2.687 8.186 ( 0.000 -0.409 0.000) 0.409 8.186 ( 0.000 0.409 0.000) 0.409 8.322 ( 0.000 -7.035 0.000) 7.035 8.322 ( 0.000 7.036 0.000) 7.036 8.791 ( 0.000 -9.028 0.000) 9.028 8.791 ( 0.000 9.028 0.000) 9.028 8.808 ( 0.000 -0.848 0.000) 0.848 8.808 ( 0.000 0.848 0.000) 0.848 9.020 ( 0.000 -2.846 0.000) 2.846 9.020 ( 0.000 2.846 0.000) 2.846 9.301 ( 0.000 -5.711 0.000) 5.711 9.301 ( 0.000 5.711 0.000) 5.711 9.723 ( 0.000 -8.047 0.000) 8.047 9.723 ( 0.000 8.047 0.000) 8.047 9.731 ( 0.000 -2.995 0.000) 2.995 9.731 ( 0.000 2.995 0.000) 2.995 10.247 ( 0.000 -8.783 0.000) 8.783 10.247 ( 0.000 8.783 0.000) 8.783 10.336 ( 0.000 -20.646 0.000) 20.646 10.336 ( 0.000 20.646 0.000) 20.646 10.828 ( 0.000 -7.077 0.000) 7.077 10.828 ( 0.000 7.077 0.000) 7.077 10.921 ( 0.000 -13.893 0.000) 13.893 10.921 ( 0.000 13.893 0.000) 13.893 11.568 ( 0.000 -9.167 0.000) 9.167 11.568 ( 0.000 9.168 0.000) 9.168 12.133 ( 0.000 -3.524 0.000) 3.524 12.133 ( 0.000 3.524 0.000) 3.524 12.646 ( 0.000 -19.392 0.000) 19.392 12.646 ( 0.000 19.392 0.000) 19.392 13.015 ( 0.000 -3.193 0.000) 3.193 13.015 ( 0.000 3.193 0.000) 3.193 13.531 ( 0.000 -9.742 0.000) 9.742 13.531 ( 0.000 9.742 0.000) 9.742 13.798 ( 0.000 -17.355 0.000) 17.355 13.798 ( 0.000 17.355 0.000) 17.355 14.223 ( 0.000 -7.969 0.000) 7.969 14.223 ( 0.000 7.969 0.000) 7.969 14.358 ( 0.000 -9.632 0.000) 9.632 14.358 ( 0.000 9.632 0.000) 9.632 15.935 ( 0.000 -9.985 0.000) 9.985 15.935 ( 0.000 9.985 0.000) 9.985 16.229 ( 0.000 -2.917 0.000) 2.917 16.229 ( 0.000 2.917 0.000) 2.917 16.637 ( 0.000 -5.808 0.000) 5.808 16.637 ( 0.000 5.808 0.000) 5.808 17.123 ( 0.000 -0.221 0.000) 0.221 17.123 ( 0.000 0.221 0.000) 0.221 19.300 ( 0.000 -8.265 0.000) 8.265 19.300 ( 0.000 8.265 0.000) 8.265 19.513 ( 0.000 -12.606 0.000) 12.606 19.513 ( 0.000 12.606 0.000) 12.606 21.348 ( 0.000 -2.812 0.000) 2.812 21.348 ( 0.000 2.812 0.000) 2.812 21.616 ( 0.000 -4.784 0.000) 4.784 21.616 ( 0.000 4.784 0.000) 4.784 22.409 ( 0.000 -0.808 0.000) 0.808 22.409 ( 0.000 0.808 0.000) 0.808 22.639 ( 0.000 -0.275 0.000) 0.275 22.639 ( 0.000 0.275 0.000) 0.275 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 9.284 -8.087 0.000) 12.312 3.262 ( 9.284 8.087 0.000) 12.312 3.681 ( -0.563 -2.294 0.000) 2.362 3.681 ( -0.563 2.294 0.000) 2.362 3.961 ( -0.093 -3.242 0.000) 3.244 3.961 ( -0.093 3.242 0.000) 3.244 4.353 ( -6.338 -7.001 0.000) 9.443 4.353 ( -6.338 7.001 0.000) 9.444 4.526 ( 0.544 -4.324 0.000) 4.358 4.526 ( 0.544 4.324 0.000) 4.358 4.590 ( -4.143 -2.254 0.000) 4.717 4.590 ( -4.143 2.254 0.000) 4.717 4.801 ( 3.155 -2.786 0.000) 4.209 4.801 ( 3.155 2.786 0.000) 4.209 4.891 ( -0.722 -7.765 0.000) 7.799 4.891 ( -0.722 7.765 0.000) 7.799 5.250 ( 0.675 -5.718 0.000) 5.757 5.250 ( 0.675 5.718 0.000) 5.757 5.634 ( -4.654 -8.540 0.000) 9.726 5.634 ( -4.655 8.541 0.000) 9.727 6.024 ( 1.884 -5.406 0.000) 5.725 6.024 ( 1.884 5.406 0.000) 5.725 6.071 ( -4.186 -1.716 0.000) 4.524 6.071 ( -4.186 1.716 0.000) 4.524 6.783 ( 4.381 -9.988 0.000) 10.906 6.783 ( 4.381 9.988 0.000) 10.907 7.081 ( -5.984 -17.549 0.000) 18.541 7.081 ( -5.984 17.550 0.000) 18.542 7.159 ( 10.114 -9.874 0.000) 14.135 7.159 ( 10.114 9.874 0.000) 14.135 7.409 ( 4.081 -5.873 0.000) 7.152 7.409 ( 4.081 5.874 0.000) 7.152 7.501 ( -1.357 -3.560 0.000) 3.810 7.501 ( -1.357 3.560 0.000) 3.810 7.903 ( -2.940 -6.727 0.000) 7.342 7.903 ( -2.940 6.727 0.000) 7.342 8.204 ( 1.692 -1.116 0.000) 2.027 8.204 ( 1.692 1.117 0.000) 2.027 8.304 ( -1.632 -6.670 0.000) 6.866 8.304 ( -1.632 6.670 0.000) 6.867 8.757 ( -2.873 -9.367 0.000) 9.798 8.757 ( -2.873 9.368 0.000) 9.798 8.778 ( -2.730 -3.421 0.000) 4.377 8.778 ( -2.730 3.421 0.000) 4.377 9.055 ( 3.220 -2.493 0.000) 4.072 9.055 ( 3.220 2.493 0.000) 4.072 9.273 ( -2.502 -5.228 0.000) 5.795 9.273 ( -2.502 5.228 0.000) 5.796 9.734 ( 0.371 -5.389 0.000) 5.401 9.734 ( 0.371 5.389 0.000) 5.402 9.744 ( 1.460 -10.589 0.000) 10.689 9.744 ( 1.460 10.589 0.000) 10.690 10.294 ( 4.173 -9.099 0.000) 10.010 10.294 ( 4.173 9.099 0.000) 10.010 10.361 ( 2.073 -20.032 0.000) 20.139 10.361 ( 2.073 20.032 0.000) 20.139 10.826 ( -0.038 -6.193 0.000) 6.194 10.826 ( -0.038 6.194 0.000) 6.194 10.909 ( -1.277 -10.042 0.000) 10.123 10.909 ( -1.277 10.042 0.000) 10.123 11.598 ( 3.547 -9.481 0.000) 10.123 11.598 ( 3.547 9.481 0.000) 10.123 12.089 ( -5.071 -3.241 0.000) 6.018 12.089 ( -5.071 3.241 0.000) 6.018 12.648 ( 1.097 -17.754 0.000) 17.788 12.648 ( 1.097 17.754 0.000) 17.788 12.971 ( -4.449 -3.731 0.000) 5.806 12.971 ( -4.449 3.731 0.000) 5.806 13.544 ( 1.563 -11.115 0.000) 11.225 13.544 ( 1.563 11.115 0.000) 11.225 13.764 ( -3.248 -17.219 0.000) 17.523 13.764 ( -3.248 17.219 0.000) 17.523 14.242 ( 1.771 -8.850 0.000) 9.026 14.242 ( 1.771 8.851 0.000) 9.026 14.350 ( -0.869 -10.923 0.000) 10.958 14.350 ( -0.869 10.924 0.000) 10.958 15.981 ( 4.371 -7.771 0.000) 8.916 15.981 ( 4.371 7.771 0.000) 8.916 16.215 ( -1.491 -2.425 0.000) 2.847 16.215 ( -1.491 2.426 0.000) 2.847 16.675 ( 3.860 -5.825 0.000) 6.988 16.675 ( 3.860 5.826 0.000) 6.988 17.070 ( -5.203 -1.349 0.000) 5.375 17.070 ( -5.203 1.349 0.000) 5.375 19.324 ( 2.368 -9.025 0.000) 9.330 19.324 ( 2.368 9.025 0.000) 9.330 19.496 ( -1.689 -12.420 0.000) 12.534 19.496 ( -1.689 12.420 0.000) 12.534 21.365 ( 1.769 -3.008 0.000) 3.490 21.365 ( 1.769 3.008 0.000) 3.490 21.578 ( -3.523 -4.603 0.000) 5.796 21.578 ( -3.523 4.603 0.000) 5.796 22.442 ( 3.117 -1.006 0.000) 3.275 22.442 ( 3.117 1.006 0.000) 3.275 22.625 ( -1.457 -0.552 0.000) 1.559 22.625 ( -1.457 0.552 0.000) 1.559 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 11.661 -8.118 0.000) 14.209 3.484 ( 11.661 8.118 0.000) 14.209 3.644 ( -4.170 -2.831 0.000) 5.040 3.644 ( -4.170 2.831 0.000) 5.040 3.987 ( 3.888 -5.414 0.000) 6.666 3.987 ( 3.888 5.414 0.000) 6.666 4.149 ( -11.891 -10.189 0.000) 15.659 4.149 ( -11.891 10.190 0.000) 15.660 4.538 ( 0.659 -1.838 0.000) 1.953 4.538 ( 0.659 1.838 0.000) 1.953 4.550 ( -0.698 -3.277 0.000) 3.351 4.550 ( -0.698 3.277 0.000) 3.351 4.858 ( 1.875 -3.407 0.000) 3.889 4.858 ( 1.875 3.407 0.000) 3.889 4.876 ( -0.551 -5.147 0.000) 5.176 4.876 ( -0.551 5.147 0.000) 5.176 5.309 ( 6.024 -5.893 0.000) 8.427 5.309 ( 6.024 5.893 0.000) 8.427 5.476 ( -9.932 -7.273 0.000) 12.310 5.476 ( -9.932 7.273 0.000) 12.310 6.051 ( 0.845 -3.630 0.000) 3.727 6.051 ( 0.845 3.630 0.000) 3.727 6.056 ( 0.811 -4.982 0.000) 5.048 6.056 ( 0.811 4.982 0.000) 5.048 6.856 ( 3.820 -15.728 0.000) 16.185 6.856 ( 3.820 15.728 0.000) 16.185 6.953 ( -6.193 -18.429 0.000) 19.442 6.953 ( -6.193 18.429 0.000) 19.442 7.344 ( 7.034 -3.296 0.000) 7.768 7.344 ( 7.034 3.296 0.000) 7.768 7.448 ( -4.028 -3.833 0.000) 5.561 7.448 ( -4.028 3.834 0.000) 5.561 7.568 ( 11.784 -5.209 0.000) 12.884 7.568 ( 11.784 5.209 0.000) 12.884 7.788 ( -9.089 -6.177 0.000) 10.989 7.788 ( -9.089 6.177 0.000) 10.989 8.240 ( 1.714 -0.138 0.000) 1.720 8.240 ( 1.714 0.138 0.000) 1.720 8.271 ( -1.575 -3.998 0.000) 4.297 8.271 ( -1.575 3.998 0.000) 4.297 8.711 ( -1.124 -8.600 0.000) 8.673 8.711 ( -1.124 8.600 0.000) 8.673 8.724 ( -2.199 -5.717 0.000) 6.126 8.724 ( -2.199 5.717 0.000) 6.126 9.132 ( 4.320 -3.213 0.000) 5.384 9.132 ( 4.320 3.214 0.000) 5.384 9.212 ( -3.669 -4.376 0.000) 5.710 9.212 ( -3.669 4.376 0.000) 5.710 9.747 ( 0.871 -9.143 0.000) 9.184 9.747 ( 0.870 9.143 0.000) 9.185 9.759 ( -0.035 -11.671 0.000) 11.671 9.759 ( -0.035 11.671 0.000) 11.671 10.373 ( 2.977 -13.869 0.000) 14.185 10.373 ( 2.977 13.869 0.000) 14.185 10.394 ( 0.718 -18.156 0.000) 18.170 10.394 ( 0.718 18.156 0.000) 18.170 10.836 ( 1.246 -3.446 0.000) 3.664 10.836 ( 1.246 3.446 0.000) 3.664 10.873 ( -2.181 -2.327 0.000) 3.189 10.873 ( -2.181 2.328 0.000) 3.190 11.723 ( 9.185 -8.549 0.000) 12.548 11.723 ( 9.185 8.549 0.000) 12.548 11.929 ( -10.612 -5.465 0.000) 11.936 11.929 ( -10.612 5.465 0.000) 11.936 12.715 ( 5.747 -13.010 0.000) 14.223 12.715 ( 5.747 13.010 0.000) 14.223 12.851 ( -7.294 -7.816 0.000) 10.691 12.851 ( -7.294 7.816 0.000) 10.691 13.598 ( 3.855 -13.819 0.000) 14.346 13.598 ( 3.855 13.819 0.000) 14.346 13.684 ( -4.613 -16.079 0.000) 16.728 13.684 ( -4.614 16.079 0.000) 16.728 14.284 ( 2.245 -10.565 0.000) 10.801 14.284 ( 2.245 10.565 0.000) 10.801 14.324 ( -1.759 -11.648 0.000) 11.780 14.324 ( -1.759 11.648 0.000) 11.780 16.081 ( 5.182 -3.128 0.000) 6.052 16.081 ( 5.181 3.128 0.000) 6.052 16.167 ( -3.440 -0.619 0.000) 3.495 16.167 ( -3.440 0.619 0.000) 3.495 16.784 ( 7.078 -5.439 0.000) 8.927 16.784 ( 7.078 5.439 0.000) 8.927 16.936 ( -7.904 -3.736 0.000) 8.742 16.936 ( -7.904 3.736 0.000) 8.742 19.384 ( 3.442 -10.532 0.000) 11.080 19.384 ( 3.442 10.532 0.000) 11.080 19.449 ( -3.029 -11.766 0.000) 12.149 19.449 ( -3.029 11.766 0.000) 12.149 21.417 ( 3.447 -3.529 0.000) 4.933 21.417 ( 3.447 3.529 0.000) 4.933 21.496 ( -4.444 -4.140 0.000) 6.073 21.496 ( -4.444 4.140 0.000) 6.073 22.514 ( 3.846 -1.132 0.000) 4.009 22.514 ( 3.846 1.132 0.000) 4.009 22.582 ( -2.908 -0.938 0.000) 3.055 22.582 ( -2.908 0.938 0.000) 3.055 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.000 0.000 35.830) 35.830 0.778 ( 0.000 0.000 41.784) 41.784 1.183 ( 0.000 0.000 63.050) 63.050 2.282 ( 0.000 0.000 -16.478) 16.478 2.671 ( 0.000 0.000 -25.355) 25.355 2.828 ( 0.000 0.000 0.042) 0.042 2.849 ( 0.000 0.000 10.270) 10.270 3.265 ( 0.000 0.000 5.102) 5.102 3.314 ( 0.000 0.000 2.701) 2.701 3.360 ( 0.000 0.000 10.114) 10.114 3.772 ( 0.000 0.000 -9.122) 9.122 4.047 ( 0.000 0.000 -13.404) 13.404 4.076 ( 0.000 0.000 5.172) 5.172 4.090 ( 0.000 0.000 -4.397) 4.397 4.123 ( 0.000 0.000 -1.969) 1.969 4.236 ( 0.000 0.000 1.902) 1.902 4.284 ( 0.000 0.000 -0.283) 0.283 4.482 ( 0.000 0.000 -15.727) 15.727 4.485 ( 0.000 0.000 4.409) 4.409 4.513 ( 0.000 0.000 4.225) 4.225 4.832 ( 0.000 0.000 -5.475) 5.475 4.962 ( 0.000 0.000 -5.677) 5.677 5.145 ( 0.000 0.000 4.363) 4.363 5.338 ( 0.000 0.000 -1.631) 1.631 5.405 ( 0.000 0.000 16.958) 16.958 5.501 ( 0.000 0.000 5.032) 5.032 5.981 ( 0.000 0.000 0.005) 0.005 6.086 ( 0.000 0.000 -2.977) 2.977 6.419 ( 0.000 0.000 -12.305) 12.305 6.710 ( 0.000 0.000 -10.397) 10.397 6.795 ( 0.000 0.000 -10.926) 10.926 6.805 ( 0.000 0.000 -3.435) 3.435 7.064 ( 0.000 0.000 1.787) 1.787 7.257 ( 0.000 0.000 -5.543) 5.543 7.361 ( 0.000 0.000 0.065) 0.065 7.369 ( 0.000 0.000 17.317) 17.317 7.561 ( 0.000 0.000 -5.129) 5.129 7.679 ( 0.000 0.000 7.355) 7.355 8.204 ( 0.000 0.000 10.676) 10.676 8.265 ( 0.000 0.000 3.868) 3.868 8.599 ( 0.000 0.000 0.477) 0.477 8.630 ( 0.000 0.000 -0.269) 0.269 8.631 ( 0.000 0.000 -2.483) 2.483 8.749 ( 0.000 0.000 -5.457) 5.457 9.007 ( 0.000 0.000 6.188) 6.188 9.267 ( 0.000 0.000 -0.360) 0.360 9.534 ( 0.000 0.000 2.742) 2.742 9.787 ( 0.000 0.000 -3.850) 3.850 9.916 ( 0.000 0.000 3.421) 3.421 10.229 ( 0.000 0.000 -4.948) 4.948 10.503 ( 0.000 0.000 4.467) 4.467 10.523 ( 0.000 0.000 3.500) 3.500 10.533 ( 0.000 0.000 -1.748) 1.748 10.755 ( 0.000 0.000 -7.772) 7.772 10.766 ( 0.000 0.000 -3.934) 3.934 10.872 ( 0.000 0.000 -5.375) 5.375 10.904 ( 0.000 0.000 4.027) 4.027 10.966 ( 0.000 0.000 6.798) 6.798 11.145 ( 0.000 0.000 -3.246) 3.246 11.446 ( 0.000 0.000 4.337) 4.337 11.452 ( 0.000 0.000 -3.404) 3.404 11.671 ( 0.000 0.000 2.438) 2.438 11.686 ( 0.000 0.000 -4.161) 4.161 11.834 ( 0.000 0.000 -0.568) 0.568 12.056 ( 0.000 0.000 9.788) 9.788 12.593 ( 0.000 0.000 -0.183) 0.183 13.173 ( 0.000 0.000 1.019) 1.019 13.443 ( 0.000 0.000 5.141) 5.141 13.446 ( 0.000 0.000 5.288) 5.288 13.488 ( 0.000 0.000 -11.213) 11.213 13.795 ( 0.000 0.000 -3.862) 3.862 13.805 ( 0.000 0.000 -3.892) 3.892 14.292 ( 0.000 0.000 -6.432) 6.432 14.435 ( 0.000 0.000 -7.358) 7.358 14.955 ( 0.000 0.000 8.561) 8.561 15.182 ( 0.000 0.000 2.862) 2.862 15.377 ( 0.000 0.000 13.179) 13.179 15.682 ( 0.000 0.000 -1.377) 1.377 15.824 ( 0.000 0.000 -1.573) 1.573 16.103 ( 0.000 0.000 -5.337) 5.337 18.409 ( 0.000 0.000 3.545) 3.545 18.662 ( 0.000 0.000 -2.548) 2.548 19.181 ( 0.000 0.000 0.200) 0.200 19.197 ( 0.000 0.000 -0.209) 0.209 19.198 ( 0.000 0.000 0.127) 0.127 19.208 ( 0.000 0.000 -0.117) 0.117 19.594 ( 0.000 0.000 1.457) 1.457 19.792 ( 0.000 0.000 -4.112) 4.112 20.317 ( 0.000 0.000 7.272) 7.272 20.853 ( 0.000 0.000 -9.131) 9.131 21.129 ( 0.000 0.000 5.063) 5.063 21.285 ( 0.000 0.000 -1.002) 1.002 22.720 ( 0.000 0.000 2.991) 2.991 23.083 ( 0.000 0.000 -9.462) 9.462 23.467 ( 0.000 0.000 10.820) 10.820 23.957 ( 0.000 0.000 -4.809) 4.809 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 24.442 0.000 23.141) 33.659 1.096 ( 27.513 0.000 28.749) 39.793 1.677 ( 41.220 0.000 42.883) 59.481 2.363 ( 6.788 0.000 -19.985) 21.106 2.580 ( -17.175 0.000 8.924) 19.355 2.696 ( -1.528 0.000 -18.842) 18.904 2.841 ( -3.720 0.000 4.846) 6.109 3.009 ( -15.456 0.000 3.288) 15.802 3.378 ( 2.909 0.000 3.520) 4.567 3.384 ( -2.325 0.000 2.829) 3.662 3.491 ( -16.133 0.000 -2.834) 16.380 3.914 ( -8.639 0.000 -0.843) 8.680 4.067 ( -7.272 0.000 2.432) 7.668 4.072 ( -0.448 0.000 -8.022) 8.035 4.241 ( -5.341 0.000 7.075) 8.865 4.345 ( 8.110 0.000 -0.601) 8.132 4.423 ( 10.309 0.000 0.132) 10.310 4.443 ( 18.749 0.000 1.076) 18.780 4.634 ( 8.741 0.000 1.572) 8.881 4.686 ( 14.848 0.000 -18.636) 23.827 4.847 ( 2.313 0.000 -4.885) 5.405 4.927 ( -12.715 0.000 -2.088) 12.885 5.109 ( -3.576 0.000 4.380) 5.654 5.221 ( -3.152 0.000 6.806) 7.500 5.296 ( -4.306 0.000 -1.552) 4.577 5.613 ( -13.069 0.000 4.468) 13.811 5.713 ( 3.473 0.000 3.072) 4.637 6.019 ( -9.417 0.000 -3.460) 10.033 6.294 ( -12.824 0.000 -10.219) 16.398 6.663 ( -11.444 0.000 -7.994) 13.959 6.808 ( -4.043 0.000 0.070) 4.043 7.043 ( 13.447 0.000 0.075) 13.447 7.129 ( 18.225 0.000 -2.709) 18.425 7.192 ( 7.897 0.000 3.390) 8.594 7.279 ( -1.255 0.000 -5.593) 5.732 7.531 ( 1.070 0.000 2.678) 2.884 7.621 ( 4.455 0.000 12.513) 13.282 7.796 ( 12.092 0.000 5.598) 13.325 8.093 ( -12.004 0.000 7.643) 14.231 8.264 ( -3.133 0.000 -4.265) 5.293 8.602 ( 0.272 0.000 0.415) 0.497 8.627 ( -0.307 0.000 -0.187) 0.360 8.652 ( 4.195 0.000 -3.609) 5.534 8.746 ( -0.295 0.000 -5.045) 5.054 9.117 ( -1.090 0.000 -1.820) 2.121 9.290 ( 2.784 0.000 -9.788) 10.177 9.538 ( 0.553 0.000 2.299) 2.365 9.703 ( -5.347 0.000 -1.184) 5.476 10.030 ( 8.365 0.000 0.880) 8.411 10.261 ( 3.061 0.000 -4.438) 5.391 10.285 ( -11.854 0.000 11.809) 16.732 10.469 ( -2.938 0.000 2.626) 3.941 10.520 ( -1.374 0.000 4.337) 4.549 10.701 ( -13.195 0.000 -9.076) 16.015 10.718 ( -3.336 0.000 -2.805) 4.359 10.801 ( -3.658 0.000 -0.866) 3.759 10.963 ( 3.695 0.000 3.052) 4.792 10.995 ( 5.064 0.000 -0.959) 5.154 11.145 ( -0.233 0.000 -3.111) 3.120 11.293 ( -7.094 0.000 -0.189) 7.096 11.587 ( 4.747 0.000 1.724) 5.050 11.652 ( 0.108 0.000 5.363) 5.364 11.850 ( 11.028 0.000 0.051) 11.028 11.918 ( 14.217 0.000 1.721) 14.320 12.336 ( 12.644 0.000 -8.661) 15.326 12.614 ( 1.612 0.000 -1.748) 2.378 13.083 ( -6.913 0.000 0.282) 6.919 13.411 ( -10.460 0.000 -8.469) 13.459 13.442 ( -0.016 0.000 5.153) 5.153 13.445 ( -0.078 0.000 5.271) 5.272 13.796 ( 0.103 0.000 -3.859) 3.860 13.804 ( -0.075 0.000 -3.884) 3.885 14.249 ( 1.879 0.000 -0.178) 1.887 14.467 ( 0.438 0.000 -4.943) 4.962 15.062 ( 6.504 0.000 -0.280) 6.510 15.187 ( 0.442 0.000 2.129) 2.175 15.374 ( -0.242 0.000 11.723) 11.725 15.504 ( -8.079 0.000 7.700) 11.161 15.961 ( 5.259 0.000 -7.741) 9.359 16.091 ( -1.223 0.000 -5.132) 5.276 18.450 ( 4.040 0.000 4.250) 5.863 18.695 ( 1.187 0.000 -0.244) 1.212 19.181 ( 0.024 0.000 0.180) 0.181 19.193 ( -0.300 0.000 -0.068) 0.308 19.201 ( 0.224 0.000 0.014) 0.225 19.209 ( 0.058 0.000 -0.124) 0.137 19.596 ( 0.185 0.000 0.677) 0.702 19.739 ( -6.352 0.000 -1.475) 6.521 20.170 ( -10.732 0.000 20.964) 23.551 20.512 ( -16.656 0.000 19.049) 25.304 20.856 ( -3.885 0.000 -6.864) 7.887 21.106 ( -10.044 0.000 -1.623) 10.174 22.812 ( 8.174 0.000 3.370) 8.842 23.210 ( -1.152 0.000 -5.750) 5.865 23.801 ( 15.012 0.000 -8.521) 17.262 24.037 ( 5.489 0.000 -10.072) 11.470 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 29.119 0.000 12.606) 31.730 1.706 ( 32.862 0.000 16.539) 36.789 2.033 ( -22.900 0.000 9.438) 24.768 2.330 ( -29.643 0.000 8.163) 30.746 2.434 ( 12.957 0.000 -5.322) 14.008 2.575 ( 1.560 0.000 5.931) 6.133 2.941 ( 30.591 0.000 4.753) 30.958 3.016 ( 10.385 0.000 -15.866) 18.963 3.244 ( -11.136 0.000 -10.000) 14.967 3.328 ( 0.419 0.000 6.973) 6.986 3.356 ( -4.249 0.000 4.448) 6.151 3.784 ( -32.739 0.000 10.413) 34.355 3.841 ( 1.229 0.000 6.085) 6.208 3.925 ( -6.483 0.000 6.457) 9.150 4.251 ( 3.621 0.000 -2.712) 4.524 4.406 ( -16.293 0.000 -2.593) 16.498 4.486 ( 5.794 0.000 -2.215) 6.202 4.548 ( 0.694 0.000 -2.479) 2.574 4.797 ( 8.649 0.000 1.957) 8.868 4.856 ( 18.944 0.000 3.091) 19.195 4.922 ( 0.230 0.000 -1.780) 1.795 5.044 ( 1.289 0.000 2.684) 2.977 5.075 ( 13.242 0.000 -14.830) 19.882 5.175 ( -7.705 0.000 -1.183) 7.796 5.290 ( -4.382 0.000 0.315) 4.393 5.494 ( 14.322 0.000 -1.631) 14.415 5.603 ( -17.597 0.000 -20.463) 26.989 5.843 ( -13.161 0.000 -1.680) 13.267 6.149 ( 4.277 0.000 5.713) 7.137 6.351 ( -13.999 0.000 8.672) 16.468 6.890 ( 7.933 0.000 -11.199) 13.724 7.091 ( -11.429 0.000 -7.553) 13.700 7.289 ( 7.823 0.000 1.507) 7.967 7.339 ( 3.026 0.000 6.436) 7.112 7.490 ( 16.630 0.000 2.565) 16.826 7.624 ( 7.761 0.000 2.249) 8.081 7.727 ( 2.014 0.000 8.904) 9.129 7.847 ( -11.721 0.000 8.310) 14.368 7.992 ( 5.736 0.000 -3.076) 6.509 8.124 ( -8.022 0.000 -4.099) 9.009 8.609 ( 0.459 0.000 0.246) 0.520 8.619 ( -0.480 0.000 0.016) 0.481 8.730 ( 2.825 0.000 -1.373) 3.141 8.752 ( 0.814 0.000 -0.555) 0.985 9.089 ( 2.291 0.000 -3.196) 3.933 9.228 ( -8.669 0.000 -7.194) 11.265 9.560 ( 1.819 0.000 1.299) 2.235 9.613 ( -3.670 0.000 0.172) 3.674 10.201 ( 8.619 0.000 -0.263) 8.623 10.208 ( 4.414 0.000 3.078) 5.382 10.320 ( 0.120 0.000 -3.212) 3.214 10.399 ( -1.965 0.000 1.722) 2.613 10.409 ( -14.331 0.000 -4.252) 14.948 10.456 ( -4.450 0.000 2.088) 4.916 10.692 ( 0.824 0.000 -0.286) 0.872 10.734 ( -3.077 0.000 -0.007) 3.077 11.053 ( 5.341 0.000 2.937) 6.096 11.080 ( 3.447 0.000 -2.055) 4.013 11.128 ( -1.569 0.000 -2.718) 3.138 11.167 ( -6.129 0.000 2.380) 6.575 11.639 ( 1.458 0.000 2.915) 3.259 11.655 ( -0.180 0.000 4.894) 4.898 12.088 ( 10.472 0.000 -2.647) 10.801 12.160 ( 5.460 0.000 -1.539) 5.673 12.525 ( 9.052 0.000 -3.214) 9.605 12.631 ( -0.827 0.000 -2.963) 3.077 12.979 ( -1.233 0.000 -1.093) 1.648 13.130 ( -15.024 0.000 -3.103) 15.341 13.442 ( 0.020 0.000 5.187) 5.187 13.443 ( -0.078 0.000 5.231) 5.232 13.799 ( 0.153 0.000 -3.858) 3.861 13.802 ( -0.136 0.000 -3.868) 3.870 14.344 ( 5.878 0.000 -1.377) 6.037 14.439 ( -3.347 0.000 -2.654) 4.271 15.153 ( 3.052 0.000 -0.366) 3.074 15.189 ( -0.656 0.000 0.658) 0.929 15.374 ( 0.487 0.000 9.077) 9.090 15.403 ( -2.842 0.000 7.823) 8.324 16.025 ( 2.144 0.000 -5.803) 6.186 16.061 ( -1.684 0.000 -5.011) 5.287 18.554 ( 6.096 0.000 5.716) 8.357 18.663 ( -4.294 0.000 5.301) 6.822 19.182 ( 0.162 0.000 0.120) 0.201 19.187 ( -0.294 0.000 0.031) 0.296 19.206 ( 0.225 0.000 -0.048) 0.230 19.209 ( -0.088 0.000 -0.102) 0.135 19.600 ( 0.298 0.000 -1.095) 1.135 19.626 ( -3.158 0.000 -0.596) 3.214 20.145 ( 5.601 0.000 12.322) 13.535 20.303 ( -9.308 0.000 10.117) 13.748 20.825 ( 1.355 0.000 -6.807) 6.941 20.918 ( -7.882 0.000 -5.385) 9.546 22.986 ( 8.727 0.000 2.249) 9.012 23.133 ( -5.992 0.000 -0.627) 6.025 23.988 ( 6.529 0.000 -4.917) 8.174 24.073 ( -1.802 0.000 -7.247) 7.467 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 25.702 18.250) 31.522 1.028 ( 0.000 30.908 22.688) 38.341 1.915 ( 0.000 51.280 44.986) 68.216 2.414 ( 0.000 13.368 -15.275) 20.298 2.572 ( 0.000 -5.111 -22.737) 23.305 2.890 ( 0.000 4.898 7.465) 8.928 2.952 ( 0.000 8.167 -3.266) 8.796 3.340 ( 0.000 6.944 3.507) 7.779 3.464 ( 0.000 14.584 3.715) 15.049 3.486 ( 0.000 10.684 11.274) 15.532 3.806 ( 0.000 4.568 -9.655) 10.681 3.914 ( 0.000 -4.486 3.545) 5.718 4.076 ( 0.000 -11.378 7.389) 13.567 4.086 ( 0.000 4.293 -7.535) 8.672 4.141 ( 0.000 4.837 -4.121) 6.354 4.229 ( 0.000 0.397 -1.321) 1.379 4.446 ( 0.000 20.422 -1.313) 20.465 4.573 ( 0.000 9.465 2.592) 9.813 4.652 ( 0.000 13.063 1.055) 13.106 4.705 ( 0.000 17.349 -13.322) 21.874 4.981 ( 0.000 16.404 -1.755) 16.498 5.115 ( 0.000 13.878 -5.209) 14.823 5.272 ( 0.000 10.262 2.455) 10.552 5.388 ( 0.000 4.837 4.517) 6.618 5.497 ( 0.000 0.371 5.125) 5.138 5.559 ( 0.000 15.716 8.341) 17.792 6.029 ( 0.000 5.119 -1.047) 5.225 6.153 ( 0.000 6.342 -2.740) 6.908 6.403 ( 0.000 -1.543 -11.171) 11.277 6.676 ( 0.000 -0.863 -5.044) 5.118 6.826 ( 0.000 3.304 -4.298) 5.421 6.844 ( 0.000 4.907 -10.337) 11.442 7.043 ( 0.000 -1.860 0.787) 2.020 7.091 ( 0.000 -4.224 6.002) 7.339 7.287 ( 0.000 1.668 -4.938) 5.212 7.371 ( 0.000 0.075 15.746) 15.746 7.512 ( 0.000 -3.758 -4.146) 5.595 7.647 ( 0.000 2.377 8.925) 9.236 8.159 ( 0.000 -4.419 9.303) 10.299 8.242 ( 0.000 -1.793 2.252) 2.879 8.477 ( 0.000 -12.182 -2.490) 12.434 8.554 ( 0.000 -3.201 -1.999) 3.774 8.871 ( 0.000 8.365 -2.056) 8.614 8.915 ( 0.000 -5.822 6.567) 8.776 8.982 ( 0.000 5.493 -6.351) 8.397 9.154 ( 0.000 -2.627 1.236) 2.903 9.648 ( 0.000 4.999 -0.543) 5.029 9.809 ( 0.000 -3.726 -4.226) 5.634 9.996 ( 0.000 13.293 -3.012) 13.630 10.152 ( 0.000 -2.341 -6.561) 6.966 10.353 ( 0.000 -8.416 5.328) 9.961 10.539 ( 0.000 3.462 -0.096) 3.464 10.607 ( 0.000 3.726 8.627) 9.397 10.759 ( 0.000 -0.138 -2.781) 2.785 10.822 ( 0.000 -4.565 -3.193) 5.571 10.858 ( 0.000 -2.051 1.386) 2.475 11.104 ( 0.000 -2.298 -6.552) 6.943 11.175 ( 0.000 14.994 4.337) 15.609 11.455 ( 0.000 -0.659 5.378) 5.418 11.471 ( 0.000 15.369 -16.122) 22.274 11.534 ( 0.000 12.274 -9.295) 15.397 11.662 ( 0.000 -4.821 -2.309) 5.345 11.684 ( 0.000 1.307 2.381) 2.716 11.962 ( 0.000 -11.252 9.615) 14.801 11.983 ( 0.000 -0.205 -13.155) 13.157 12.385 ( 0.000 -18.696 1.694) 18.772 12.753 ( 0.000 -27.926 4.432) 28.276 13.136 ( 0.000 -20.562 3.291) 20.824 13.289 ( 0.000 -11.243 -16.412) 19.894 13.653 ( 0.000 8.841 2.912) 9.308 13.672 ( 0.000 4.514 -15.900) 16.528 13.939 ( 0.000 7.324 -4.122) 8.404 14.508 ( 0.000 12.713 -4.671) 13.544 14.735 ( 0.000 21.538 -7.838) 22.920 15.287 ( 0.000 8.377 2.058) 8.626 15.363 ( 0.000 16.561 6.246) 17.700 15.395 ( 0.000 3.151 12.093) 12.496 15.655 ( 0.000 -2.315 -2.027) 3.077 16.089 ( 0.000 -1.190 -4.772) 4.918 16.321 ( 0.000 40.457 -43.613) 59.489 18.313 ( 0.000 -26.400 -0.258) 26.401 18.321 ( 0.000 -11.773 -1.196) 11.834 18.617 ( 0.000 -38.004 0.101) 38.004 18.667 ( 0.000 -33.351 -1.822) 33.400 18.973 ( 0.000 -15.887 8.345) 17.945 19.412 ( 0.000 13.134 -3.894) 13.700 20.098 ( 0.000 4.096 13.860) 14.452 20.100 ( 0.000 28.886 0.786) 28.896 20.482 ( 0.000 13.163 6.753) 14.794 20.886 ( 0.000 2.443 -6.402) 6.852 20.905 ( 0.000 -10.509 22.116) 24.486 21.159 ( 0.000 3.924 2.779) 4.808 22.709 ( 0.000 -0.274 1.971) 1.990 23.041 ( 0.000 -4.122 -8.970) 9.872 23.402 ( 0.000 -6.481 10.047) 11.956 23.794 ( 0.000 -12.116 -0.483) 12.126 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 23.642 18.664 14.557) 33.455 1.281 ( 22.140 22.130 18.215) 36.217 2.201 ( 24.651 40.687 33.682) 58.289 2.441 ( 0.964 7.062 -19.143) 20.427 2.628 ( -0.698 7.857 3.996) 8.842 2.729 ( -4.361 5.101 -11.274) 13.120 2.938 ( -3.487 7.660 -0.775) 8.452 3.125 ( -19.846 9.908 4.573) 22.648 3.408 ( 2.670 4.070 3.392) 5.933 3.520 ( -5.246 9.180 1.543) 10.685 3.541 ( -12.307 8.718 -0.217) 15.084 3.840 ( -9.646 -4.684 2.019) 10.911 3.963 ( -2.832 0.036 1.619) 3.262 4.274 ( 5.109 4.649 -5.172) 8.629 4.290 ( 9.842 5.797 -2.720) 11.742 4.376 ( 7.512 6.293 3.050) 10.263 4.470 ( 4.077 6.207 3.573) 8.241 4.566 ( 4.664 13.693 -0.586) 14.477 4.708 ( 4.109 7.417 1.421) 8.597 4.881 ( 12.638 13.617 -10.476) 21.329 4.983 ( 0.871 14.589 -5.889) 15.757 5.096 ( -8.478 16.916 -1.311) 18.967 5.232 ( -3.242 12.043 2.719) 12.765 5.293 ( 0.318 7.633 2.796) 8.136 5.421 ( -4.642 10.294 -2.175) 11.500 5.659 ( -13.394 5.889 4.296) 15.249 5.752 ( 4.131 5.246 3.783) 7.675 6.101 ( -9.306 8.653 -4.655) 13.533 6.327 ( -8.692 3.275 -10.000) 13.648 6.575 ( -11.067 -4.563 -2.199) 12.171 6.811 ( 1.295 1.513 -7.098) 7.372 7.060 ( 12.413 1.477 -0.748) 12.523 7.144 ( 15.822 1.737 -1.499) 15.987 7.182 ( 7.052 -0.592 3.865) 8.064 7.284 ( -2.015 0.816 -5.856) 6.247 7.509 ( 2.096 -1.111 3.639) 4.344 7.570 ( 11.560 -2.837 8.879) 14.850 7.742 ( 8.710 -2.937 5.823) 10.881 8.053 ( -10.518 -3.542 7.380) 13.328 8.197 ( -3.484 -4.053 -1.250) 5.489 8.406 ( -3.989 -10.886 -1.014) 11.638 8.527 ( -2.996 -5.432 -2.810) 6.810 8.873 ( 0.500 4.288 -0.449) 4.340 8.906 ( 1.048 8.865 1.121) 8.996 9.034 ( 0.633 -5.643 -1.656) 5.915 9.229 ( 6.058 -0.543 -3.322) 6.930 9.635 ( -0.991 4.591 0.071) 4.697 9.765 ( -3.924 -0.220 -4.306) 5.830 10.043 ( 3.799 7.157 -2.016) 8.349 10.188 ( 3.306 -0.924 -4.444) 5.615 10.348 ( -0.534 -6.893 5.658) 8.934 10.489 ( -8.692 9.258 5.989) 14.040 10.520 ( -2.638 1.831 0.322) 3.228 10.729 ( -2.017 1.042 -1.409) 2.672 10.760 ( -3.672 -2.309 -0.174) 4.341 10.949 ( 5.237 -3.562 -0.744) 6.377 11.059 ( -8.517 13.329 -1.268) 15.869 11.091 ( -2.352 -0.150 -2.595) 3.506 11.256 ( -12.650 16.479 -10.808) 23.417 11.363 ( -7.948 7.878 -1.145) 11.249 11.602 ( 3.031 0.814 1.047) 3.309 11.676 ( -2.846 1.041 5.645) 6.407 11.817 ( 11.193 -4.186 1.653) 12.064 11.953 ( 14.574 2.352 -0.623) 14.776 12.172 ( 6.518 -18.787 -3.022) 20.114 12.405 ( 1.799 -18.731 1.253) 18.859 12.710 ( -3.563 -26.505 2.333) 26.845 13.039 ( -6.615 -23.776 -1.547) 24.728 13.392 ( 2.612 -6.306 -9.842) 11.977 13.586 ( -6.066 4.986 -1.475) 7.990 13.697 ( 4.193 3.000 -9.259) 10.598 13.929 ( -1.066 7.264 -4.240) 8.478 14.518 ( 0.917 14.644 -3.415) 15.065 14.675 ( -4.499 20.824 -2.839) 21.493 15.307 ( 2.053 7.797 3.001) 8.603 15.374 ( 0.996 14.672 6.020) 15.890 15.391 ( -0.281 3.506 10.008) 10.608 15.599 ( -5.007 9.023 -0.594) 10.336 16.073 ( -1.438 -1.340 -4.681) 5.077 16.144 ( -10.004 21.551 -18.066) 29.848 18.352 ( 3.068 -12.637 -1.288) 13.068 18.398 ( 5.705 -24.738 -4.909) 25.857 18.617 ( -0.091 -37.909 -0.146) 37.910 18.654 ( -1.248 -33.550 -1.636) 33.613 18.987 ( 1.515 -14.645 9.108) 17.313 19.314 ( -8.844 5.464 9.162) 13.857 20.106 ( 0.543 29.268 0.582) 29.279 20.131 ( 3.408 2.132 13.994) 14.560 20.258 ( -13.274 23.754 7.046) 28.109 20.678 ( -9.246 15.282 9.400) 20.184 20.853 ( -2.792 0.902 -5.823) 6.520 21.118 ( -7.394 2.890 -1.905) 8.164 22.784 ( 7.438 -2.357 3.122) 8.404 23.147 ( 0.217 -6.014 -6.121) 8.584 23.650 ( 17.252 -14.440 -3.319) 22.741 23.843 ( 4.390 -13.786 -1.466) 14.542 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 27.350 14.793 8.724) 32.295 1.796 ( 28.207 10.148 12.200) 32.365 2.168 ( -22.783 12.149 5.702) 26.442 2.350 ( -19.935 4.345 0.184) 20.404 2.629 ( 3.427 16.338 0.392) 16.698 2.742 ( -6.270 12.846 3.032) 14.613 3.035 ( 11.467 4.005 -10.559) 16.094 3.074 ( 22.233 11.384 -3.225) 25.186 3.368 ( -6.870 9.700 -6.255) 13.432 3.396 ( 0.016 7.233 7.426) 10.366 3.424 ( 0.956 9.176 5.081) 10.532 3.731 ( -7.414 1.066 13.004) 15.007 3.887 ( -1.629 3.888 4.090) 5.873 4.100 ( -21.370 16.007 4.180) 27.025 4.393 ( 2.670 11.751 0.306) 12.054 4.472 ( -5.237 6.097 -0.367) 8.046 4.537 ( 4.050 4.886 -0.374) 6.357 4.607 ( -0.609 6.063 -1.659) 6.316 4.846 ( 10.234 3.531 1.401) 10.916 4.890 ( 5.632 5.371 3.468) 8.520 5.030 ( 0.271 11.343 -1.871) 11.499 5.146 ( 6.197 10.434 2.540) 12.398 5.213 ( -9.634 7.626 -1.269) 12.353 5.279 ( 1.747 13.932 -7.439) 15.890 5.428 ( 2.836 14.363 -5.043) 15.484 5.575 ( 14.573 8.340 -4.026) 17.267 5.736 ( -12.365 13.358 -19.212) 26.466 5.912 ( -11.409 7.783 -2.659) 14.064 6.183 ( 1.439 3.907 3.450) 5.407 6.341 ( -11.168 -0.095 6.539) 12.942 6.909 ( 8.177 2.081 -10.499) 13.469 7.107 ( -10.823 1.436 -8.604) 13.901 7.277 ( 7.668 -0.919 3.966) 8.682 7.322 ( 3.055 -1.605 7.471) 8.230 7.471 ( 14.898 -1.519 2.622) 15.203 7.623 ( 7.665 0.086 1.868) 7.890 7.686 ( -0.681 -3.889 7.932) 8.861 7.826 ( -10.910 -1.657 7.120) 13.132 7.933 ( 8.555 -5.651 -2.543) 10.564 8.082 ( -7.207 -3.696 -4.861) 9.447 8.387 ( 1.380 -12.362 -0.398) 12.445 8.445 ( -4.418 -9.541 -1.918) 10.688 8.893 ( 1.381 2.712 0.503) 3.085 8.921 ( -0.851 5.525 2.425) 6.093 9.090 ( 7.440 4.510 -4.903) 9.987 9.251 ( -5.307 4.164 -6.005) 9.031 9.629 ( 0.779 3.286 1.058) 3.539 9.677 ( -4.166 3.004 -0.667) 5.179 10.118 ( 3.862 -1.590 0.056) 4.177 10.198 ( -3.673 -0.801 4.008) 5.495 10.360 ( 2.130 -3.242 2.934) 4.863 10.389 ( -1.007 3.657 2.609) 4.604 10.504 ( 3.641 11.612 -4.128) 12.851 10.658 ( -7.319 5.309 -2.664) 9.426 10.722 ( 1.080 3.385 -0.942) 3.676 10.817 ( -10.651 12.677 -5.061) 17.313 11.031 ( 2.522 -3.108 0.408) 4.023 11.055 ( -0.802 -0.749 1.370) 1.755 11.167 ( 0.941 6.017 -1.756) 6.338 11.234 ( -5.320 4.837 1.636) 7.374 11.638 ( 1.167 -0.154 2.702) 2.948 11.653 ( -0.425 -0.437 4.946) 4.984 12.033 ( 8.890 -8.876 0.002) 12.563 12.126 ( 0.134 -10.298 -2.120) 10.515 12.372 ( 12.772 -9.024 0.727) 15.655 12.446 ( 1.920 -15.523 0.995) 15.672 12.657 ( 0.913 -25.597 -2.276) 25.715 12.848 ( -13.240 -21.104 -4.853) 25.381 13.395 ( 0.702 -2.983 -1.481) 3.404 13.460 ( -5.650 0.192 1.162) 5.771 13.811 ( 5.593 1.955 -7.687) 9.705 13.893 ( -2.865 5.464 -5.515) 8.275 14.546 ( 2.094 16.189 -0.900) 16.348 14.599 ( -3.244 16.719 -0.207) 17.032 15.353 ( 1.945 2.379 5.396) 6.209 15.377 ( -0.773 2.165 7.510) 7.854 15.415 ( 3.160 18.919 3.384) 19.478 15.498 ( -4.918 20.006 0.980) 20.625 16.040 ( -1.556 2.195 -6.216) 6.773 16.043 ( -1.383 -1.541 -4.470) 4.927 18.425 ( 3.739 -15.382 -1.818) 15.934 18.465 ( 0.521 -20.137 -4.402) 20.619 18.615 ( 0.026 -37.545 -0.812) 37.554 18.626 ( -1.223 -35.342 -1.461) 35.394 19.037 ( 3.769 -10.770 11.619) 16.285 19.144 ( -7.335 -4.266 14.967) 17.205 20.115 ( 0.333 30.759 -0.691) 30.769 20.128 ( -1.615 29.421 0.272) 29.466 20.257 ( 8.910 8.124 5.521) 13.262 20.471 ( -11.942 11.272 4.418) 17.005 20.849 ( 2.811 4.567 -4.720) 7.144 20.955 ( -7.664 5.190 -4.433) 10.263 22.947 ( 8.259 -3.781 2.090) 9.321 23.084 ( -5.515 -4.746 -0.778) 7.317 23.863 ( 5.777 -12.550 -4.298) 14.469 23.910 ( 0.957 -14.457 -3.686) 14.950 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 38.954 -3.829) 39.142 1.695 ( 0.000 36.115 12.951) 38.366 2.555 ( 0.000 4.247 -22.226) 22.628 2.717 ( 0.000 23.121 -8.398) 24.599 2.973 ( 0.000 43.346 19.183) 47.401 3.060 ( 0.000 18.554 10.674) 21.405 3.092 ( 0.000 6.487 -1.109) 6.581 3.532 ( 0.000 12.235 3.416) 12.703 3.692 ( 0.000 10.242 11.547) 15.434 3.722 ( 0.000 5.527 3.832) 6.725 3.900 ( 0.000 3.648 2.615) 4.488 3.946 ( 0.000 7.831 -8.198) 11.337 4.016 ( 0.000 8.192 9.147) 12.279 4.173 ( 0.000 4.088 -4.271) 5.912 4.267 ( 0.000 6.612 1.489) 6.778 4.316 ( 0.000 9.755 -9.096) 13.338 4.776 ( 0.000 10.557 -6.433) 12.363 4.822 ( 0.000 15.304 10.055) 18.311 4.933 ( 0.000 17.014 2.847) 17.251 5.077 ( 0.000 17.120 -10.737) 20.208 5.374 ( 0.000 11.108 -1.214) 11.174 5.413 ( 0.000 15.856 -0.757) 15.875 5.473 ( 0.000 16.400 4.081) 16.900 5.560 ( 0.000 14.214 -4.508) 14.912 5.647 ( 0.000 19.132 1.510) 19.192 5.962 ( 0.000 23.071 3.781) 23.378 6.182 ( 0.000 10.431 -5.471) 11.779 6.280 ( 0.000 5.956 1.520) 6.147 6.376 ( 0.000 0.021 -4.514) 4.514 6.782 ( 0.000 13.137 -8.506) 15.651 6.939 ( 0.000 8.233 -5.339) 9.813 6.969 ( 0.000 7.187 -11.433) 13.505 7.022 ( 0.000 1.234 0.320) 1.275 7.125 ( 0.000 5.137 0.042) 5.138 7.316 ( 0.000 1.257 -7.829) 7.929 7.348 ( 0.000 -3.176 8.482) 9.057 7.492 ( 0.000 3.778 2.879) 4.749 7.764 ( 0.000 9.547 9.843) 13.712 8.042 ( 0.000 -7.418 6.702) 9.997 8.160 ( 0.000 -13.020 -4.394) 13.741 8.245 ( 0.000 -4.017 3.522) 5.342 8.486 ( 0.000 -3.994 -2.336) 4.627 8.749 ( 0.000 -7.412 6.520) 9.871 8.864 ( 0.000 -10.014 1.307) 10.099 9.105 ( 0.000 11.858 -0.058) 11.858 9.247 ( 0.000 6.205 -1.926) 6.497 9.612 ( 0.000 -12.105 -0.559) 12.118 9.705 ( 0.000 2.169 -4.067) 4.609 10.061 ( 0.000 -8.204 -5.447) 9.848 10.152 ( 0.000 -0.518 -0.984) 1.112 10.342 ( 0.000 3.449 4.854) 5.955 10.645 ( 0.000 -0.096 17.207) 17.207 10.661 ( 0.000 -8.512 -0.287) 8.517 10.705 ( 0.000 -5.669 3.074) 6.448 10.779 ( 0.000 17.466 -5.793) 18.402 10.942 ( 0.000 9.360 -5.693) 10.956 11.024 ( 0.000 -8.411 -8.467) 11.935 11.290 ( 0.000 -11.624 5.096) 12.692 11.460 ( 0.000 -17.176 1.319) 17.227 11.495 ( 0.000 -1.259 5.749) 5.885 11.534 ( 0.000 -16.214 -8.448) 18.283 11.650 ( 0.000 -4.356 4.108) 5.988 11.693 ( 0.000 0.335 -0.524) 0.622 11.719 ( 0.000 2.166 2.421) 3.249 11.793 ( 0.000 4.481 -5.525) 7.114 12.020 ( 0.000 -13.126 6.418) 14.611 12.303 ( 0.000 -15.527 7.715) 17.339 12.898 ( 0.000 -3.340 3.355) 4.734 13.136 ( 0.000 -6.919 -20.712) 21.837 13.740 ( 0.000 1.274 1.868) 2.261 13.831 ( 0.000 6.571 -18.902) 20.012 13.995 ( 0.000 -0.364 -7.422) 7.430 14.820 ( 0.000 18.173 -3.985) 18.605 15.067 ( 0.000 10.094 -8.021) 12.893 15.312 ( 0.000 -0.755 3.506) 3.586 15.500 ( 0.000 6.735 11.151) 13.027 15.585 ( 0.000 -0.163 -0.431) 0.461 15.739 ( 0.000 15.068 5.416) 16.012 16.086 ( 0.000 2.331 -2.338) 3.302 16.889 ( 0.000 16.996 -40.154) 43.602 17.800 ( 0.000 -24.778 0.190) 24.779 17.886 ( 0.000 -29.816 -8.000) 30.871 17.891 ( 0.000 -36.049 -0.163) 36.049 18.025 ( 0.000 -34.678 -6.533) 35.288 18.800 ( 0.000 -1.868 14.216) 14.338 19.594 ( 0.000 5.495 -7.545) 9.334 19.802 ( 0.000 -20.911 45.988) 50.519 20.495 ( 0.000 8.640 -0.424) 8.650 20.790 ( 0.000 15.242 1.356) 15.302 20.962 ( 0.000 8.066 -1.994) 8.309 21.093 ( 0.000 18.159 3.360) 18.467 21.291 ( 0.000 8.656 -0.877) 8.700 22.710 ( 0.000 0.247 0.740) 0.780 22.937 ( 0.000 -6.210 -7.193) 9.502 23.228 ( 0.000 -10.952 8.075) 13.607 23.524 ( 0.000 -15.662 -1.311) 15.717 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 12.321 32.175 1.441) 34.484 1.828 ( 11.954 31.906 9.866) 35.472 2.576 ( 1.321 8.733 -17.927) 19.985 2.785 ( 2.307 19.636 -3.072) 20.008 2.903 ( -7.860 12.162 -6.407) 15.835 3.079 ( -1.538 7.898 -1.828) 8.251 3.182 ( 11.593 38.474 18.868) 44.392 3.310 ( -19.848 11.694 8.767) 24.649 3.556 ( 1.701 10.459 3.045) 11.026 3.674 ( -9.179 9.572 -1.247) 13.320 3.803 ( 0.204 8.737 10.345) 13.542 3.817 ( -11.711 8.344 0.650) 14.394 4.058 ( 0.540 8.931 -2.988) 9.433 4.381 ( 11.582 5.662 -2.235) 13.084 4.398 ( 11.533 5.366 1.156) 12.773 4.482 ( 12.393 9.448 -0.021) 15.584 4.758 ( -2.465 14.333 1.030) 14.580 4.803 ( -2.663 12.175 1.008) 12.503 4.927 ( 0.830 13.853 4.273) 14.521 5.117 ( 0.635 9.268 -0.187) 9.291 5.312 ( -4.085 17.463 1.985) 18.044 5.455 ( -1.171 9.231 1.068) 9.366 5.521 ( 8.454 20.249 -7.218) 23.100 5.593 ( 1.434 23.035 -5.279) 23.676 5.628 ( -0.990 16.409 -3.570) 16.822 5.851 ( -16.962 12.898 0.246) 21.310 6.024 ( 4.851 22.766 4.347) 23.679 6.301 ( -6.013 8.507 -6.368) 12.210 6.414 ( 3.362 5.629 -3.346) 7.361 6.594 ( -15.187 9.172 -7.901) 19.421 6.882 ( 0.470 6.077 -10.184) 11.868 7.077 ( 4.335 0.234 -4.377) 6.165 7.167 ( 8.692 0.636 5.319) 10.210 7.226 ( 9.637 5.533 -0.469) 11.122 7.340 ( 1.433 5.407 -3.794) 6.759 7.483 ( 9.827 -4.843 -2.261) 11.186 7.526 ( 5.126 2.405 7.702) 9.559 7.743 ( -2.181 1.858 9.269) 9.702 7.979 ( -5.918 -2.480 3.700) 7.406 8.106 ( -5.467 -7.252 -4.274) 10.038 8.188 ( -2.648 -8.893 3.232) 9.825 8.410 ( -6.812 -6.351 -2.689) 9.694 8.792 ( 3.124 -6.858 3.854) 8.464 8.887 ( 1.148 -7.230 1.820) 7.544 9.156 ( 4.937 11.991 -1.079) 13.013 9.301 ( 5.208 5.554 -1.663) 7.793 9.608 ( -0.436 -8.323 -1.824) 8.532 9.705 ( -0.343 0.081 -1.608) 1.646 10.090 ( 0.985 -5.527 -2.408) 6.109 10.141 ( 0.536 -4.572 -1.659) 4.893 10.345 ( -0.060 4.361 6.362) 7.714 10.558 ( -6.274 0.658 6.615) 9.141 10.667 ( -0.208 -4.330 4.771) 6.446 10.716 ( 1.408 -1.103 2.919) 3.424 10.794 ( -4.515 9.695 -6.684) 12.612 10.857 ( 2.614 -1.082 -3.108) 4.203 11.126 ( 1.196 4.580 -2.479) 5.344 11.208 ( -4.539 -3.918 0.341) 6.006 11.400 ( -5.122 2.417 -1.455) 5.848 11.432 ( -9.623 -11.667 -2.585) 15.343 11.524 ( 1.606 -17.092 4.166) 17.665 11.606 ( -0.555 -3.561 1.262) 3.819 11.640 ( -0.320 -10.345 2.671) 10.689 11.742 ( 1.466 -7.678 2.296) 8.147 11.981 ( 10.366 -5.546 -3.504) 12.268 12.114 ( 8.870 -2.132 2.551) 9.472 12.293 ( -0.820 -12.269 7.054) 14.176 12.729 ( -10.027 -6.400 -2.445) 12.144 13.277 ( 7.282 -5.237 -13.083) 15.862 13.645 ( -7.743 0.170 0.742) 7.780 13.829 ( -0.380 7.471 -17.945) 19.442 13.987 ( -1.047 -0.555 -6.415) 6.524 14.837 ( 1.602 17.480 -2.744) 17.766 15.031 ( -3.496 12.092 -4.931) 13.518 15.324 ( 1.104 -0.525 3.201) 3.427 15.443 ( -3.355 2.884 5.946) 7.412 15.676 ( 6.895 7.055 4.004) 10.647 15.770 ( 3.309 14.214 3.940) 15.116 16.061 ( -2.409 1.680 -2.331) 3.750 16.601 ( -22.906 19.282 -22.543) 37.479 17.837 ( 1.929 -31.420 -0.268) 31.480 17.890 ( 0.069 -36.186 -0.882) 36.197 17.938 ( 3.918 -26.339 -9.902) 28.411 18.023 ( -0.222 -33.572 -6.767) 34.248 18.830 ( 3.048 -1.787 15.284) 15.687 19.332 ( -15.689 -2.899 22.597) 27.661 20.019 ( 13.232 -7.359 10.649) 18.510 20.511 ( 1.327 7.430 -0.767) 7.586 20.722 ( -4.562 19.571 -0.015) 20.095 20.867 ( -9.333 9.437 -1.938) 13.413 21.078 ( -0.822 18.829 1.751) 18.928 21.248 ( -4.562 9.408 -1.834) 10.616 22.741 ( 4.380 -1.842 2.079) 5.187 23.002 ( 1.146 -8.355 -5.432) 10.031 23.349 ( 11.400 -15.222 3.710) 19.376 23.557 ( 2.714 -16.201 -1.401) 16.487 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 23.355 20.763 4.446) 31.565 2.120 ( 16.931 23.466 6.214) 29.596 2.470 ( -15.570 17.734 -0.262) 23.600 2.514 ( -21.385 12.613 2.190) 24.924 2.933 ( -3.333 10.595 -2.124) 11.309 2.979 ( -1.080 14.750 -2.916) 15.075 3.091 ( 9.026 4.642 -17.362) 20.111 3.345 ( -11.057 10.417 -9.661) 18.003 3.549 ( 1.414 12.490 3.218) 12.975 3.584 ( -0.953 12.807 3.794) 13.391 3.791 ( 6.581 19.094 13.566) 24.330 3.845 ( 2.642 10.765 12.270) 16.536 4.093 ( 11.952 20.624 0.315) 23.839 4.483 ( -8.799 19.858 1.738) 21.790 4.577 ( -2.176 6.239 4.362) 7.917 4.636 ( -2.074 9.787 8.647) 13.223 4.660 ( 7.311 8.817 -1.993) 11.626 4.766 ( -1.665 9.745 -0.772) 9.917 4.959 ( 3.690 9.359 5.543) 11.486 5.024 ( -4.260 6.775 3.916) 8.910 5.338 ( -2.566 17.980 -0.018) 18.162 5.393 ( 6.934 12.630 2.018) 14.549 5.416 ( -9.747 15.178 -0.499) 18.044 5.583 ( -8.163 15.490 -1.066) 17.541 5.811 ( 16.560 16.418 -5.874) 24.048 5.839 ( 11.177 25.660 -13.425) 31.042 6.096 ( -4.762 22.675 -14.971) 27.586 6.160 ( -8.367 16.401 -4.826) 19.034 6.312 ( -5.495 9.062 -2.193) 10.822 6.391 ( -5.480 7.379 0.942) 9.239 6.968 ( 7.499 3.250 -9.168) 12.282 7.104 ( -3.623 -2.982 -9.242) 10.365 7.286 ( 3.402 -1.297 10.618) 11.225 7.309 ( -0.280 6.079 8.927) 10.804 7.447 ( 8.741 -0.781 1.624) 8.925 7.586 ( -2.873 -5.954 6.175) 9.046 7.642 ( 6.365 2.302 0.566) 6.792 7.781 ( 3.770 -5.492 0.525) 6.682 7.843 ( -2.657 0.895 1.635) 3.246 7.987 ( -7.318 -6.244 -5.875) 11.272 8.182 ( 2.409 -8.320 -0.125) 8.663 8.272 ( -6.362 -8.365 -3.036) 10.939 8.844 ( 2.309 -5.072 1.944) 5.902 8.883 ( -1.427 -5.084 1.595) 5.516 9.283 ( 7.322 10.562 -3.975) 13.452 9.380 ( -0.289 7.651 -4.397) 8.829 9.615 ( 2.478 -3.094 1.122) 4.119 9.680 ( -2.520 -1.633 1.013) 3.169 10.083 ( 0.787 -5.122 1.538) 5.406 10.144 ( -3.320 -5.850 3.760) 7.706 10.361 ( 3.228 4.454 4.741) 7.261 10.447 ( -4.791 2.771 4.750) 7.293 10.656 ( 0.543 -1.815 -0.236) 1.909 10.703 ( -3.788 -0.311 -4.343) 5.771 10.805 ( 7.006 0.771 0.874) 7.102 10.920 ( -0.534 2.182 -2.892) 3.662 11.040 ( -1.841 0.886 4.096) 4.577 11.138 ( -7.306 6.085 -0.807) 9.542 11.285 ( -1.358 2.919 -4.083) 5.200 11.317 ( -3.624 2.689 -1.340) 4.707 11.564 ( 2.076 -16.452 2.637) 16.791 11.594 ( -0.974 -12.232 2.299) 12.484 11.684 ( 3.471 -15.937 2.962) 16.578 11.741 ( -1.696 -9.953 2.307) 10.357 12.129 ( 5.350 -14.072 0.350) 15.058 12.209 ( -2.464 -14.659 3.421) 15.254 12.384 ( 11.311 3.586 -2.609) 12.150 12.571 ( -7.431 -5.257 -3.410) 9.720 13.361 ( 3.307 -1.100 -7.334) 8.120 13.477 ( -8.416 0.540 -2.534) 8.805 13.861 ( 3.818 3.150 -12.060) 13.037 13.942 ( -3.598 0.232 -8.069) 8.838 14.880 ( 2.865 16.474 -0.538) 16.730 14.950 ( -4.199 15.119 -0.652) 15.705 15.352 ( 1.668 0.273 2.861) 3.323 15.389 ( -2.242 1.432 3.554) 4.439 15.829 ( 7.407 13.339 2.399) 15.445 15.858 ( 4.731 18.137 3.310) 19.033 16.011 ( -0.925 -1.255 -2.716) 3.132 16.188 ( -17.257 14.056 -5.794) 22.999 17.867 ( 1.306 -35.245 -0.527) 35.273 17.886 ( -0.546 -36.349 -0.690) 36.360 17.996 ( 1.812 -27.757 -9.109) 29.270 18.016 ( -0.517 -30.684 -7.587) 31.612 18.920 ( 6.203 -1.774 18.480) 19.574 19.078 ( -10.234 -2.274 23.100) 25.367 20.278 ( 13.329 -3.331 -1.005) 13.775 20.499 ( -5.879 -2.337 -2.702) 6.880 20.659 ( -1.850 22.150 -0.755) 22.240 20.674 ( -6.169 20.850 -1.192) 21.776 21.080 ( 1.476 16.711 0.031) 16.777 21.144 ( -4.954 12.985 -1.421) 13.971 22.856 ( 6.342 -5.172 1.574) 8.333 22.963 ( -4.206 -7.369 -0.874) 8.530 23.543 ( 6.489 -18.325 -0.982) 19.465 23.596 ( 0.414 -17.482 -1.540) 17.555 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 0.000 35.956 -7.033) 36.637 2.392 ( 0.000 35.093 7.626) 35.912 2.743 ( 0.000 14.717 -16.877) 22.393 3.151 ( 0.000 19.978 -10.115) 22.393 3.226 ( 0.000 7.805 2.596) 8.226 3.291 ( 0.000 15.782 -0.838) 15.804 3.665 ( 0.000 -0.428 7.526) 7.539 3.823 ( 0.000 13.482 1.965) 13.624 3.891 ( 0.000 9.558 10.725) 14.365 3.920 ( 0.000 27.569 12.613) 30.317 4.047 ( 0.000 3.022 -9.672) 10.133 4.081 ( 0.000 25.404 14.056) 29.033 4.289 ( 0.000 15.260 4.587) 15.934 4.295 ( 0.000 8.832 -0.287) 8.836 4.399 ( 0.000 6.654 5.811) 8.835 4.492 ( 0.000 6.971 -13.633) 15.312 4.937 ( 0.000 7.702 -5.975) 9.748 5.108 ( 0.000 11.349 9.487) 14.792 5.181 ( 0.000 7.121 5.708) 9.126 5.276 ( 0.000 6.194 6.349) 8.870 5.454 ( 0.000 5.030 0.501) 5.055 5.763 ( 0.000 17.688 -3.442) 18.020 5.832 ( 0.000 10.460 1.444) 10.559 5.901 ( 0.000 20.033 -11.634) 23.166 6.106 ( 0.000 25.589 -7.813) 26.755 6.161 ( 0.000 -2.281 -9.291) 9.567 6.467 ( 0.000 9.981 1.424) 10.082 6.492 ( 0.000 19.746 6.740) 20.865 6.549 ( 0.000 23.506 0.543) 23.512 7.071 ( 0.000 1.666 5.059) 5.326 7.099 ( 0.000 8.147 -13.616) 15.867 7.158 ( 0.000 12.734 -11.601) 17.226 7.159 ( 0.000 19.864 -4.905) 20.461 7.245 ( 0.000 8.636 -7.854) 11.674 7.295 ( 0.000 0.735 2.021) 2.150 7.365 ( 0.000 4.579 -1.390) 4.785 7.663 ( 0.000 12.248 3.784) 12.820 7.812 ( 0.000 -13.929 5.280) 14.896 7.892 ( 0.000 -6.483 7.295) 9.759 8.036 ( 0.000 12.306 0.324) 12.310 8.259 ( 0.000 3.686 2.334) 4.362 8.392 ( 0.000 -5.364 -1.394) 5.542 8.655 ( 0.000 -1.473 5.302) 5.503 8.675 ( 0.000 -8.718 1.942) 8.932 9.278 ( 0.000 3.302 -1.810) 3.766 9.347 ( 0.000 4.472 -2.257) 5.009 9.475 ( 0.000 0.990 6.045) 6.125 9.741 ( 0.000 1.074 -3.417) 3.582 9.852 ( 0.000 -13.827 -3.063) 14.162 10.098 ( 0.000 -3.380 -2.292) 4.084 10.345 ( 0.000 -24.757 -0.982) 24.776 10.367 ( 0.000 -2.130 -0.251) 2.145 10.482 ( 0.000 -11.698 12.034) 16.782 10.659 ( 0.000 -23.921 -2.238) 24.026 10.715 ( 0.000 -30.913 0.090) 30.913 10.755 ( 0.000 4.016 14.406) 14.956 10.938 ( 0.000 -19.863 9.340) 21.950 11.059 ( 0.000 -12.188 -0.292) 12.191 11.102 ( 0.000 5.998 -11.489) 12.960 11.313 ( 0.000 -2.038 4.933) 5.338 11.463 ( 0.000 9.065 -7.226) 11.593 11.713 ( 0.000 -1.604 4.305) 4.594 11.757 ( 0.000 2.054 1.776) 2.715 11.869 ( 0.000 10.041 2.242) 10.289 11.927 ( 0.000 12.461 -3.170) 12.857 12.064 ( 0.000 10.502 -1.483) 10.606 12.183 ( 0.000 4.689 10.417) 11.424 12.935 ( 0.000 5.333 3.460) 6.357 12.986 ( 0.000 -8.607 -17.531) 19.530 13.742 ( 0.000 -0.398 1.081) 1.152 13.841 ( 0.000 -4.440 -4.242) 6.141 13.985 ( 0.000 -0.876 -15.786) 15.810 15.087 ( 0.000 -6.662 -2.722) 7.197 15.109 ( 0.000 8.369 -1.128) 8.445 15.363 ( 0.000 8.734 -9.390) 12.824 15.572 ( 0.000 -2.615 -7.189) 7.650 15.639 ( 0.000 6.591 8.380) 10.662 15.930 ( 0.000 4.933 2.084) 5.355 16.224 ( 0.000 9.874 4.367) 10.797 16.967 ( 0.000 -14.451 -14.166) 20.236 17.245 ( 0.000 -29.391 -1.008) 29.409 17.284 ( 0.000 -33.133 -5.882) 33.651 17.381 ( 0.000 -21.162 -11.335) 24.007 17.399 ( 0.000 -16.003 -0.628) 16.016 18.828 ( 0.000 3.535 11.118) 11.666 19.474 ( 0.000 -12.285 40.389) 42.216 19.643 ( 0.000 0.059 -9.210) 9.210 20.465 ( 0.000 -8.058 -2.074) 8.321 21.029 ( 0.000 9.532 1.137) 9.600 21.177 ( 0.000 10.904 -1.862) 11.062 21.429 ( 0.000 15.207 -0.026) 15.207 21.446 ( 0.000 6.528 -0.536) 6.550 22.713 ( 0.000 -0.124 0.154) 0.198 22.814 ( 0.000 -6.245 -4.109) 7.475 22.998 ( 0.000 -12.158 5.355) 13.285 23.198 ( 0.000 -17.465 -1.261) 17.510 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 2.562 32.547 -1.483) 32.682 2.460 ( 6.518 32.123 4.695) 33.113 2.806 ( 5.326 15.015 -14.433) 21.498 3.138 ( -2.851 12.547 -11.175) 17.042 3.191 ( -7.809 17.898 2.328) 19.666 3.228 ( -5.199 9.058 -1.460) 10.546 3.388 ( -14.928 7.331 7.401) 18.203 3.714 ( -7.847 5.829 0.872) 9.814 3.874 ( -2.047 15.566 -0.216) 15.702 3.911 ( -3.632 15.583 3.558) 16.391 3.995 ( -0.688 13.518 3.118) 13.890 4.142 ( 1.790 21.088 9.855) 23.346 4.314 ( 8.957 20.294 4.994) 22.738 4.476 ( 12.671 4.830 3.476) 13.998 4.518 ( 6.542 8.701 -3.085) 11.315 4.705 ( 15.841 10.384 -0.246) 18.943 4.942 ( 0.277 8.466 -3.167) 9.043 5.046 ( -4.225 8.655 8.399) 12.779 5.153 ( -1.016 8.218 6.250) 10.374 5.236 ( -3.212 4.682 8.599) 10.304 5.565 ( 6.085 5.966 1.455) 8.645 5.647 ( -5.229 16.273 -0.192) 17.093 5.893 ( -2.111 14.094 -8.770) 16.733 5.944 ( 3.799 14.268 -5.130) 15.631 6.074 ( 3.077 18.838 -6.434) 20.143 6.157 ( -6.730 18.387 -7.649) 21.021 6.383 ( 2.128 9.096 -0.748) 9.371 6.544 ( 0.647 24.117 -1.185) 24.155 6.595 ( 3.429 13.782 3.794) 14.700 6.893 ( -13.454 15.865 -8.561) 22.494 7.050 ( -4.850 11.491 -9.785) 15.853 7.102 ( -1.477 2.344 -9.711) 10.098 7.192 ( 3.922 2.030 8.682) 9.740 7.357 ( 7.180 7.578 -5.385) 11.747 7.433 ( 8.656 2.260 -0.719) 8.975 7.458 ( 5.822 5.728 -2.155) 8.446 7.651 ( -0.616 8.178 3.275) 8.831 7.724 ( -4.711 0.742 10.068) 11.140 7.902 ( -0.247 -9.745 -2.611) 10.092 8.056 ( -0.835 9.308 1.217) 9.424 8.127 ( -7.731 0.369 2.275) 8.067 8.301 ( -9.432 -3.714 0.468) 10.148 8.679 ( 4.293 -4.616 1.932) 6.594 8.757 ( 3.235 -5.014 2.650) 6.529 9.323 ( 4.265 3.368 -2.428) 5.953 9.397 ( 5.073 3.768 -1.643) 6.530 9.515 ( 3.590 1.820 5.019) 6.434 9.715 ( -2.068 0.328 -2.138) 2.992 9.893 ( 2.313 -13.663 -0.920) 13.887 10.042 ( -4.044 -6.269 -0.963) 7.522 10.344 ( 0.247 -21.622 -1.554) 21.679 10.418 ( 4.286 0.275 2.623) 5.033 10.544 ( 5.763 -9.843 7.813) 13.825 10.564 ( -7.315 -19.173 -2.679) 20.695 10.705 ( -0.962 -19.432 1.821) 19.540 10.768 ( 1.562 -7.145 10.002) 12.391 10.915 ( -2.106 -17.518 9.876) 20.220 11.035 ( -3.315 -13.140 0.672) 13.568 11.191 ( 3.381 -6.053 -5.744) 9.004 11.282 ( 1.241 4.771 2.078) 5.350 11.487 ( 0.681 10.215 -6.339) 12.042 11.592 ( -9.838 0.641 2.150) 10.091 11.627 ( -7.211 1.829 -0.028) 7.439 11.832 ( -1.561 8.043 -1.678) 8.364 12.006 ( 3.866 8.986 -0.536) 9.797 12.147 ( 2.772 6.049 9.137) 11.303 12.274 ( 9.596 6.110 1.421) 11.465 12.702 ( -11.630 0.820 -4.597) 12.533 13.189 ( 9.373 -3.563 -8.202) 12.955 13.619 ( -8.565 -2.159 1.535) 8.965 13.895 ( 2.128 -1.321 -7.552) 7.957 13.965 ( -1.698 -0.504 -14.057) 14.168 15.062 ( -1.090 -1.866 -1.348) 2.547 15.120 ( -0.240 2.897 0.331) 2.926 15.383 ( 1.890 8.812 -9.480) 13.080 15.512 ( -2.715 2.498 -5.016) 6.227 15.765 ( 8.989 3.138 3.072) 10.004 15.953 ( 2.370 4.285 1.885) 5.247 16.206 ( -1.619 10.768 4.713) 11.865 16.817 ( -15.413 -0.042 -14.141) 20.917 17.211 ( -2.512 -31.896 -1.574) 32.033 17.235 ( -2.879 -28.908 -0.932) 29.066 17.353 ( 2.725 -31.619 0.248) 31.737 17.483 ( 1.896 -19.679 -7.785) 21.248 18.854 ( 2.617 3.198 12.245) 12.924 19.256 ( -12.252 -3.685 26.187) 29.145 19.884 ( 14.750 -6.650 -0.685) 16.194 20.448 ( -2.189 -9.112 -3.024) 9.847 21.015 ( -1.068 11.165 0.592) 11.232 21.118 ( -5.117 12.398 -1.773) 13.529 21.413 ( -1.498 14.339 -0.030) 14.417 21.425 ( -1.954 8.171 -0.223) 8.405 22.711 ( 1.169 -1.369 0.930) 2.026 22.838 ( 0.245 -8.281 -2.952) 8.795 23.071 ( 6.887 -13.258 3.286) 15.297 23.224 ( 2.120 -17.524 -1.153) 17.689 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 12.152 21.820 4.162) 25.320 2.635 ( 10.690 27.483 1.673) 29.536 2.743 ( -17.152 12.278 2.715) 21.267 2.878 ( -13.143 20.829 0.756) 24.641 3.112 ( 6.376 10.600 -9.843) 15.808 3.215 ( -0.451 9.706 -5.342) 11.088 3.318 ( 1.893 17.030 -4.658) 17.757 3.485 ( -13.237 6.148 -8.570) 16.926 3.857 ( 0.730 17.977 1.857) 18.087 3.878 ( -0.347 16.519 1.053) 16.556 4.013 ( 2.417 10.381 3.835) 11.328 4.094 ( -5.024 11.028 2.613) 12.397 4.570 ( 12.185 11.394 6.929) 18.064 4.675 ( 6.555 11.115 8.118) 15.245 4.726 ( 12.483 6.097 5.906) 15.096 4.812 ( -1.498 14.132 1.907) 14.338 4.910 ( -3.633 9.459 -1.116) 10.194 4.993 ( -6.594 12.694 5.493) 15.323 5.165 ( 2.988 9.762 4.063) 10.988 5.214 ( 0.335 15.624 11.280) 19.274 5.597 ( 2.628 10.073 1.278) 10.489 5.643 ( 2.572 11.932 1.521) 12.300 5.748 ( -8.561 16.473 -2.632) 18.751 5.857 ( -11.229 12.486 -1.422) 16.853 6.197 ( 15.357 19.232 -9.038) 26.218 6.273 ( 10.100 15.580 -9.793) 20.992 6.407 ( -2.585 10.142 -8.135) 13.256 6.521 ( -14.181 17.894 -5.381) 23.457 6.601 ( 4.552 22.882 -4.606) 23.781 6.687 ( -4.316 16.399 -6.141) 18.035 6.993 ( -0.291 3.074 -5.680) 6.465 7.040 ( -4.111 -2.069 -6.058) 7.608 7.325 ( 8.302 5.390 9.944) 14.030 7.446 ( -2.289 1.354 5.878) 6.452 7.468 ( 2.887 4.610 0.628) 5.475 7.541 ( -3.158 7.405 4.101) 9.035 7.697 ( 5.604 0.840 0.311) 5.675 7.723 ( 4.111 3.903 -1.844) 5.961 7.879 ( -1.333 -1.872 -2.431) 3.346 7.946 ( -6.834 8.372 1.617) 10.928 8.077 ( -0.080 -2.077 -1.141) 2.371 8.128 ( -6.135 -5.925 -2.798) 8.976 8.750 ( 2.623 -4.184 1.679) 5.216 8.781 ( -0.455 -4.634 1.942) 5.045 9.427 ( 5.700 3.300 -3.470) 7.444 9.490 ( 1.372 3.382 -3.104) 4.791 9.591 ( 4.203 0.613 2.282) 4.821 9.668 ( -2.887 2.055 0.077) 3.544 9.909 ( 1.369 -12.288 2.397) 12.594 9.977 ( -3.702 -11.610 3.442) 12.663 10.361 ( 1.887 -14.513 -0.653) 14.649 10.425 ( -4.426 -10.032 0.410) 10.972 10.545 ( 6.301 -5.942 -0.315) 8.667 10.657 ( -4.342 -8.189 1.317) 9.362 10.685 ( 7.800 -8.120 4.974) 12.309 10.794 ( -0.435 -13.597 7.691) 15.627 10.870 ( -1.553 -13.047 9.123) 15.996 10.924 ( -6.213 -16.259 5.008) 18.112 11.226 ( 3.488 -6.364 2.031) 7.536 11.316 ( -2.634 1.594 -1.128) 3.279 11.413 ( -3.927 2.782 -1.677) 5.097 11.433 ( -4.586 -0.572 -3.517) 5.808 11.654 ( 7.275 6.379 -5.478) 11.118 11.782 ( -4.462 7.209 -5.596) 10.159 12.065 ( 3.004 6.518 2.598) 7.632 12.136 ( -3.464 5.215 8.993) 10.958 12.454 ( 7.050 3.342 -1.053) 7.873 12.548 ( -4.358 1.067 -1.905) 4.875 13.331 ( 5.970 -2.213 -5.760) 8.586 13.459 ( -7.437 -2.116 -0.940) 7.789 13.913 ( 0.481 1.193 -11.705) 11.775 13.933 ( -1.475 -0.368 -10.519) 10.629 15.061 ( 1.023 -0.719 0.979) 1.588 15.094 ( -1.985 0.685 1.903) 2.834 15.428 ( 2.496 8.379 -9.067) 12.595 15.472 ( -1.911 6.197 -7.691) 10.060 15.939 ( 7.314 2.624 -0.574) 7.792 16.007 ( 1.185 1.135 -0.603) 1.748 16.208 ( 5.112 13.959 5.970) 16.020 16.460 ( -18.125 10.440 -2.971) 21.126 17.188 ( -0.012 -34.035 0.300) 34.037 17.200 ( -1.183 -33.805 0.549) 33.830 17.418 ( 3.489 -28.121 -2.016) 28.408 17.476 ( -2.070 -24.139 -4.700) 24.679 18.930 ( 5.173 2.189 15.406) 16.398 19.058 ( -8.121 0.233 20.394) 21.953 20.153 ( 12.464 -8.532 -4.675) 15.812 20.355 ( -7.722 -10.025 -5.098) 13.643 21.001 ( -0.034 13.378 -0.016) 13.378 21.028 ( -3.134 14.368 -0.754) 14.725 21.384 ( -0.992 12.378 0.050) 12.418 21.387 ( -1.354 11.627 0.116) 11.706 22.758 ( 3.115 -4.698 0.810) 5.695 22.814 ( -2.306 -7.587 -0.551) 7.949 23.201 ( 5.084 -16.323 0.458) 17.103 23.251 ( -0.113 -17.503 -0.697) 17.517 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 0.000 28.819 -5.721) 29.382 3.033 ( 0.000 30.161 1.360) 30.192 3.085 ( 0.000 18.505 -8.089) 20.196 3.359 ( 0.000 2.161 -5.172) 5.605 3.408 ( 0.000 11.719 3.667) 12.279 3.635 ( 0.000 6.628 6.128) 9.026 3.724 ( 0.000 19.442 -0.884) 19.462 3.959 ( 0.000 -2.703 5.739) 6.344 4.100 ( 0.000 13.166 4.020) 13.766 4.137 ( 0.000 8.106 2.283) 8.421 4.178 ( 0.000 10.718 -3.426) 11.252 4.453 ( 0.000 4.857 2.053) 5.273 4.514 ( 0.000 9.998 1.004) 10.048 4.524 ( 0.000 7.006 6.230) 9.375 4.612 ( 0.000 6.934 -9.199) 11.519 4.793 ( 0.000 28.894 12.659) 31.546 5.104 ( 0.000 9.483 -2.039) 9.700 5.196 ( 0.000 0.139 1.633) 1.639 5.269 ( 0.000 4.872 5.245) 7.159 5.430 ( 0.000 9.098 12.471) 15.437 5.613 ( 0.000 11.909 0.514) 11.920 5.886 ( 0.000 -1.061 1.364) 1.728 6.010 ( 0.000 5.285 -4.076) 6.674 6.069 ( 0.000 -3.619 -4.118) 5.482 6.278 ( 0.000 16.706 -4.176) 17.220 6.576 ( 0.000 19.361 -12.434) 23.010 6.688 ( 0.000 13.771 -10.537) 17.340 6.934 ( 0.000 11.487 3.203) 11.925 6.938 ( 0.000 20.378 7.176) 21.604 7.018 ( 0.000 -2.070 8.109) 8.369 7.082 ( 0.000 -6.732 -13.611) 15.185 7.401 ( 0.000 6.967 -1.562) 7.140 7.419 ( 0.000 9.208 -1.301) 9.300 7.430 ( 0.000 7.064 1.371) 7.196 7.462 ( 0.000 10.782 -3.784) 11.426 7.580 ( 0.000 13.688 -4.012) 14.264 7.690 ( 0.000 7.859 -7.715) 11.013 7.801 ( 0.000 6.085 -3.896) 7.225 7.992 ( 0.000 14.865 9.925) 17.874 8.270 ( 0.000 9.035 1.735) 9.200 8.330 ( 0.000 0.743 -3.670) 3.745 8.384 ( 0.000 8.517 -0.244) 8.520 8.564 ( 0.000 -1.393 2.877) 3.196 8.709 ( 0.000 6.898 3.151) 7.584 9.294 ( 0.000 0.521 2.405) 2.461 9.434 ( 0.000 3.860 -4.106) 5.636 9.542 ( 0.000 -5.788 -1.011) 5.875 9.565 ( 0.000 -6.542 2.148) 6.885 9.696 ( 0.000 -22.966 -1.087) 22.991 9.759 ( 0.000 -10.381 0.924) 10.422 9.904 ( 0.000 -29.331 0.949) 29.346 10.100 ( 0.000 -19.672 -6.039) 20.578 10.258 ( 0.000 -1.750 1.771) 2.489 10.260 ( 0.000 -11.323 14.646) 18.512 10.306 ( 0.000 -12.491 3.285) 12.916 10.727 ( 0.000 -1.226 13.680) 13.735 10.865 ( 0.000 4.866 5.465) 7.317 10.905 ( 0.000 -6.338 -0.105) 6.339 11.139 ( 0.000 -2.605 -14.906) 15.132 11.343 ( 0.000 3.983 9.415) 10.223 11.453 ( 0.000 -5.848 -1.152) 5.961 11.805 ( 0.000 3.510 1.140) 3.691 11.863 ( 0.000 10.576 -3.256) 11.065 12.008 ( 0.000 1.473 5.611) 5.801 12.055 ( 0.000 6.968 3.481) 7.789 12.328 ( 0.000 16.260 -2.507) 16.452 12.462 ( 0.000 17.612 2.368) 17.770 12.819 ( 0.000 -7.467 -10.957) 13.259 13.061 ( 0.000 7.106 2.406) 7.502 13.719 ( 0.000 -7.478 1.193) 7.573 13.744 ( 0.000 0.945 0.317) 0.997 13.936 ( 0.000 -4.053 -13.479) 14.076 14.877 ( 0.000 -13.881 0.547) 13.892 15.199 ( 0.000 4.230 -3.152) 5.275 15.418 ( 0.000 -13.885 -4.763) 14.679 15.550 ( 0.000 2.321 -22.924) 23.041 15.679 ( 0.000 -3.378 2.793) 4.383 15.984 ( 0.000 1.040 -4.239) 4.364 16.335 ( 0.000 -1.349 1.884) 2.317 16.376 ( 0.000 -35.749 -3.458) 35.916 16.717 ( 0.000 -19.080 13.993) 23.661 16.824 ( 0.000 -11.220 0.856) 11.253 17.192 ( 0.000 -5.727 -1.013) 5.816 17.242 ( 0.000 -2.502 -10.571) 10.863 18.916 ( 0.000 5.359 7.835) 9.493 19.319 ( 0.000 -4.144 28.312) 28.613 19.611 ( 0.000 -3.075 -8.949) 9.463 20.260 ( 0.000 -12.277 -3.404) 12.740 21.170 ( 0.000 5.416 0.933) 5.496 21.333 ( 0.000 5.149 -3.807) 6.404 21.534 ( 0.000 2.608 2.579) 3.668 21.659 ( 0.000 8.196 -1.187) 8.282 22.686 ( 0.000 -7.589 -0.075) 7.590 22.702 ( 0.000 -1.049 -0.308) 1.093 22.792 ( 0.000 -7.926 1.476) 8.062 22.871 ( 0.000 -15.581 -0.638) 15.594 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -2.808 28.114 -2.532) 28.367 3.042 ( 1.983 27.092 2.730) 27.301 3.126 ( 2.891 16.106 -8.317) 18.356 3.254 ( -9.794 2.284 -1.656) 10.192 3.399 ( -0.532 10.860 -0.665) 10.894 3.516 ( -10.087 13.599 7.787) 18.636 3.646 ( -2.702 13.311 -4.265) 14.236 3.834 ( -7.116 10.315 2.841) 12.850 4.117 ( 0.929 10.627 0.501) 10.680 4.189 ( 1.685 13.244 3.339) 13.762 4.246 ( 2.111 12.296 -1.739) 12.596 4.411 ( -4.913 9.552 -5.174) 11.923 4.532 ( 4.280 4.085 3.020) 6.643 4.611 ( 5.368 7.615 0.827) 9.354 4.809 ( 18.989 3.965 3.773) 19.762 4.886 ( 7.074 14.832 13.147) 21.044 5.098 ( -1.739 6.253 -0.301) 6.498 5.151 ( -3.277 4.214 1.234) 5.478 5.234 ( -3.264 1.994 6.351) 7.414 5.442 ( 5.372 18.698 11.232) 22.464 5.711 ( 5.535 9.164 2.345) 10.960 5.858 ( -2.174 4.356 1.964) 5.250 6.024 ( 0.736 3.517 -7.206) 8.052 6.154 ( 8.016 -2.241 -6.253) 10.410 6.236 ( -4.536 12.414 -1.349) 13.285 6.537 ( -4.323 14.544 -11.656) 19.133 6.620 ( -4.534 11.948 -9.169) 15.729 6.857 ( -4.592 1.506 4.361) 6.510 6.912 ( -1.789 14.005 0.040) 14.119 7.049 ( 0.716 5.887 -5.318) 7.966 7.164 ( -0.423 10.262 1.335) 10.357 7.290 ( -0.037 6.720 2.435) 7.148 7.343 ( -3.064 14.043 -6.447) 15.753 7.466 ( 2.085 5.702 0.426) 6.086 7.550 ( 5.047 5.693 -1.203) 7.702 7.652 ( 0.775 14.752 -6.112) 15.987 7.760 ( 8.898 7.603 -3.757) 12.292 7.821 ( 1.540 4.972 -2.848) 5.933 7.958 ( -2.575 14.775 8.065) 17.029 8.177 ( -8.637 4.970 -2.837) 10.361 8.211 ( -5.822 6.210 1.847) 8.710 8.360 ( -6.593 9.240 1.957) 11.518 8.619 ( 5.151 -0.335 -0.129) 5.164 8.740 ( 1.369 3.553 1.156) 3.980 9.334 ( 4.044 -0.702 2.710) 4.919 9.466 ( 2.725 1.164 -2.883) 4.134 9.543 ( -0.077 -5.987 -0.457) 6.004 9.606 ( 3.669 -8.548 0.336) 9.308 9.712 ( 1.697 -17.718 -1.003) 17.828 9.749 ( -2.716 -14.127 -0.781) 14.407 9.872 ( -1.068 -20.196 2.376) 20.363 10.049 ( -3.979 -23.287 -1.679) 23.684 10.235 ( 1.101 -12.049 8.990) 15.074 10.324 ( 3.804 -10.896 5.357) 12.724 10.425 ( 9.150 -4.151 2.674) 10.397 10.736 ( 1.177 0.766 12.100) 12.181 10.865 ( 0.032 4.566 5.316) 7.008 10.884 ( -2.324 -4.729 0.343) 5.280 11.125 ( -1.042 -2.338 -7.709) 8.122 11.351 ( 0.695 1.383 4.009) 4.298 11.446 ( -2.003 -5.737 -1.059) 6.168 11.672 ( -10.581 3.842 -0.028) 11.257 11.805 ( -3.808 10.950 -4.200) 12.330 11.988 ( -1.397 6.819 1.330) 7.086 12.115 ( 4.095 4.096 4.611) 7.404 12.396 ( 3.613 13.807 -0.604) 14.285 12.458 ( 0.664 13.656 3.449) 14.101 12.704 ( -7.786 -0.516 -5.218) 9.387 13.162 ( 6.993 1.200 -1.311) 7.215 13.568 ( -8.622 -3.245 1.908) 9.408 13.847 ( 4.203 -2.193 -2.797) 5.504 13.936 ( -0.129 -2.977 -13.096) 13.430 14.884 ( 0.979 -13.198 1.332) 13.301 15.124 ( -5.873 -3.608 0.574) 6.917 15.477 ( 4.032 -5.701 -11.434) 13.398 15.565 ( 1.045 4.278 -23.565) 23.973 15.749 ( 7.092 -7.275 3.777) 10.839 15.998 ( 1.225 0.287 -4.187) 4.372 16.311 ( -1.784 -6.908 1.561) 7.303 16.383 ( 0.002 -28.703 -3.548) 28.921 16.690 ( -1.496 -15.977 12.932) 20.609 16.886 ( 5.060 -12.237 1.438) 13.320 17.068 ( -11.278 0.616 -0.965) 11.336 17.211 ( -3.102 -8.621 -3.616) 9.850 18.936 ( 2.007 5.107 8.771) 10.346 19.215 ( -7.237 -0.334 20.642) 21.877 19.755 ( 10.993 -6.804 -4.895) 13.824 20.233 ( -2.911 -12.406 -4.128) 13.395 21.176 ( 0.558 5.948 0.771) 6.023 21.300 ( -3.009 6.459 -2.804) 7.658 21.526 ( -0.505 2.808 2.074) 3.528 21.634 ( -2.419 7.591 -1.011) 8.031 22.680 ( -0.437 -4.770 -0.078) 4.790 22.685 ( -0.709 -4.699 0.039) 4.753 22.849 ( 4.328 -9.213 0.878) 10.216 22.901 ( 2.449 -15.185 -0.430) 15.387 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 1.024 21.391 3.002) 21.625 2.959 ( -10.710 10.450 4.261) 15.558 3.139 ( 6.342 23.741 0.960) 24.592 3.260 ( -0.611 17.543 -0.442) 17.559 3.334 ( 0.254 11.343 -7.634) 13.675 3.431 ( -2.775 11.487 -2.146) 12.011 3.594 ( 0.176 10.241 -3.217) 10.736 3.691 ( -7.369 17.066 -2.154) 18.713 4.157 ( 2.779 10.758 -0.454) 11.121 4.200 ( -0.536 14.822 1.347) 14.893 4.265 ( 0.645 16.135 -0.698) 16.163 4.301 ( -4.407 12.081 -4.561) 13.644 4.653 ( 7.275 2.768 7.498) 10.808 4.735 ( 2.578 0.935 5.662) 6.292 4.904 ( 1.002 7.876 8.787) 11.843 4.996 ( -5.218 4.092 2.473) 7.077 5.102 ( 1.087 7.199 2.933) 7.849 5.151 ( -1.765 4.585 6.439) 8.099 5.318 ( 18.511 1.501 4.214) 19.044 5.552 ( -0.990 15.641 8.284) 17.727 5.812 ( 6.626 13.115 3.259) 15.051 5.831 ( 0.371 7.807 2.101) 8.093 5.965 ( -4.760 6.154 -5.993) 9.821 6.096 ( -10.502 11.940 1.128) 15.941 6.349 ( 10.360 -3.171 -9.717) 14.553 6.464 ( -1.710 4.105 -9.044) 10.078 6.586 ( 1.487 7.408 -9.409) 12.067 6.718 ( -9.562 0.265 -6.537) 11.586 6.901 ( 1.629 14.828 4.353) 15.539 6.995 ( -7.638 16.078 1.629) 17.874 7.130 ( 5.270 10.654 -5.403) 13.057 7.248 ( -5.581 15.356 -9.115) 18.709 7.449 ( 7.000 6.966 4.013) 10.659 7.507 ( 0.931 7.945 0.189) 8.001 7.617 ( 3.432 7.058 0.560) 7.868 7.674 ( 0.184 7.605 -3.319) 8.300 7.833 ( 0.349 9.455 0.157) 9.462 7.858 ( -1.790 12.014 5.638) 13.391 7.999 ( 8.355 10.464 -1.443) 13.468 8.058 ( -2.730 3.694 -2.822) 5.391 8.088 ( -4.527 6.120 -0.665) 7.642 8.197 ( -9.316 11.916 0.567) 15.136 8.700 ( 2.919 -0.042 -0.569) 2.975 8.740 ( -1.232 1.074 -0.103) 1.637 9.442 ( 6.444 -1.396 1.689) 6.806 9.519 ( 2.444 -11.487 -1.236) 11.809 9.529 ( -1.536 -3.343 -0.048) 3.679 9.611 ( -6.374 -10.560 0.620) 12.350 9.709 ( 2.958 -12.888 -2.765) 13.509 9.744 ( 0.399 -10.646 -2.140) 10.867 9.902 ( 3.019 -16.823 2.021) 17.211 9.971 ( -3.874 -23.100 0.604) 23.430 10.291 ( 4.310 -13.789 11.500) 18.465 10.361 ( -1.336 -13.526 9.489) 16.577 10.618 ( 9.912 -2.076 1.048) 10.181 10.770 ( -1.781 -2.212 4.044) 4.941 10.814 ( -0.985 5.815 3.702) 6.963 10.857 ( -1.480 6.051 5.259) 8.152 11.152 ( 4.823 -2.496 -0.725) 5.478 11.294 ( -7.609 -3.698 0.028) 8.460 11.400 ( -0.160 -0.933 -1.123) 1.469 11.470 ( -7.990 2.398 -0.904) 8.391 11.815 ( 4.610 7.685 -6.915) 11.319 11.925 ( -5.248 5.622 -4.921) 9.131 12.213 ( 6.324 7.933 5.452) 11.517 12.348 ( -6.428 12.678 5.371) 15.195 12.532 ( 4.153 5.853 1.618) 7.357 12.596 ( -3.240 4.371 0.025) 5.440 13.288 ( 6.028 -1.537 -1.601) 6.423 13.412 ( -7.045 -2.362 0.478) 7.446 13.903 ( 1.811 -1.115 -7.404) 7.703 13.927 ( -0.792 -1.197 -11.210) 11.301 14.924 ( 3.238 -11.596 2.640) 12.326 15.010 ( -5.347 -8.982 2.749) 10.809 15.542 ( 2.510 -1.156 -17.004) 17.228 15.572 ( -0.525 2.605 -20.832) 21.001 15.917 ( 8.194 -7.438 -1.824) 11.216 16.010 ( -1.106 -3.056 -4.453) 5.512 16.297 ( 1.278 -10.140 0.366) 10.226 16.356 ( -3.079 -20.842 -3.952) 21.436 16.692 ( 2.487 -9.697 13.678) 16.950 16.820 ( -10.687 0.229 9.020) 13.986 17.009 ( 6.121 -12.570 1.189) 14.031 17.126 ( -5.420 -11.178 -0.830) 12.450 18.994 ( 3.894 4.324 11.228) 12.646 19.087 ( -5.643 2.756 15.037) 16.295 19.969 ( 10.250 -10.071 -5.563) 15.409 20.139 ( -6.828 -11.959 -5.479) 14.821 21.194 ( 1.457 7.068 0.403) 7.228 21.237 ( -2.915 7.683 -0.741) 8.251 21.531 ( 1.295 4.179 0.775) 4.443 21.576 ( -3.051 6.102 -0.399) 6.834 22.676 ( 0.079 -3.921 0.032) 3.922 22.679 ( -0.145 -6.019 -0.003) 6.021 22.922 ( 2.551 -12.245 0.362) 12.513 22.939 ( 0.845 -14.257 -0.055) 14.282 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 0.000 -2.016 -1.130) 2.311 3.328 ( 0.000 4.011 -6.610) 7.732 3.442 ( 0.000 16.774 -3.799) 17.199 3.517 ( 0.000 19.098 -5.407) 19.849 3.719 ( 0.000 15.481 6.762) 16.893 3.736 ( 0.000 5.140 8.647) 10.060 3.912 ( 0.000 4.694 10.784) 11.762 4.123 ( 0.000 15.292 -4.605) 15.970 4.255 ( 0.000 8.934 0.014) 8.934 4.365 ( 0.000 11.831 7.404) 13.957 4.376 ( 0.000 7.618 -3.452) 8.363 4.500 ( 0.000 2.592 -1.495) 2.992 4.665 ( 0.000 7.436 5.210) 9.080 4.671 ( 0.000 6.380 -0.322) 6.388 4.755 ( 0.000 6.287 2.203) 6.662 5.096 ( 0.000 5.741 5.368) 7.860 5.182 ( 0.000 -1.086 3.101) 3.286 5.258 ( 0.000 6.364 -1.400) 6.516 5.402 ( 0.000 5.515 -1.324) 5.672 5.633 ( 0.000 12.293 2.896) 12.630 5.867 ( 0.000 0.505 1.821) 1.890 5.919 ( 0.000 -6.895 -5.928) 9.092 5.961 ( 0.000 21.108 5.287) 21.761 6.105 ( 0.000 0.882 2.374) 2.532 6.531 ( 0.000 9.096 -0.510) 9.111 6.639 ( 0.000 -10.761 -9.011) 14.036 6.902 ( 0.000 5.342 -5.280) 7.512 6.942 ( 0.000 0.251 4.265) 4.273 7.065 ( 0.000 8.607 -5.229) 10.070 7.150 ( 0.000 8.441 1.986) 8.671 7.212 ( 0.000 6.400 -2.263) 6.788 7.440 ( 0.000 -0.859 4.577) 4.656 7.586 ( 0.000 8.668 1.395) 8.779 7.587 ( 0.000 10.026 -0.681) 10.049 7.678 ( 0.000 7.068 -5.347) 8.863 7.791 ( 0.000 9.436 -7.280) 11.918 7.877 ( 0.000 6.463 -8.817) 10.932 7.998 ( 0.000 9.863 -6.916) 12.046 8.252 ( 0.000 9.380 2.711) 9.764 8.402 ( 0.000 3.592 -2.047) 4.134 8.456 ( 0.000 11.856 -3.972) 12.504 8.466 ( 0.000 -3.256 -3.540) 4.809 8.624 ( 0.000 7.728 3.624) 8.536 8.869 ( 0.000 6.620 -2.803) 7.189 9.215 ( 0.000 -23.215 3.933) 23.546 9.238 ( 0.000 -3.959 4.914) 6.311 9.248 ( 0.000 -10.809 5.086) 11.946 9.408 ( 0.000 -7.680 -3.367) 8.385 9.500 ( 0.000 0.077 0.621) 0.625 9.640 ( 0.000 4.835 -0.509) 4.861 9.720 ( 0.000 -0.766 2.235) 2.362 9.861 ( 0.000 -5.194 -3.578) 6.308 10.082 ( 0.000 -6.035 14.411) 15.623 10.145 ( 0.000 -2.724 8.873) 9.282 10.360 ( 0.000 8.148 -1.287) 8.249 10.734 ( 0.000 -11.952 -2.497) 12.210 10.743 ( 0.000 1.519 13.526) 13.611 10.926 ( 0.000 0.987 -5.128) 5.222 11.041 ( 0.000 -7.249 -11.912) 13.944 11.312 ( 0.000 -8.169 0.633) 8.194 11.429 ( 0.000 3.968 11.957) 12.598 11.922 ( 0.000 7.922 -0.076) 7.922 11.983 ( 0.000 -1.933 -2.884) 3.472 12.088 ( 0.000 8.564 11.442) 14.291 12.108 ( 0.000 1.224 -2.225) 2.539 12.650 ( 0.000 14.659 -3.238) 15.013 12.766 ( 0.000 13.219 0.502) 13.229 12.775 ( 0.000 5.575 -0.930) 5.652 13.201 ( 0.000 7.287 0.776) 7.329 13.567 ( 0.000 -7.654 4.873) 9.074 13.785 ( 0.000 3.361 -0.516) 3.401 13.836 ( 0.000 -6.122 -8.370) 10.370 14.579 ( 0.000 -16.010 2.249) 16.167 15.044 ( 0.000 -23.582 -0.556) 23.589 15.167 ( 0.000 -26.540 -8.249) 27.792 15.355 ( 0.000 5.451 -8.077) 9.744 15.411 ( 0.000 -31.583 -6.143) 32.175 15.984 ( 0.000 -0.623 -11.100) 11.118 15.987 ( 0.000 -0.430 -10.541) 10.550 16.194 ( 0.000 -9.455 -6.685) 11.579 16.604 ( 0.000 3.600 18.956) 19.295 16.782 ( 0.000 2.517 6.983) 7.423 17.141 ( 0.000 -0.574 -0.210) 0.611 17.196 ( 0.000 -2.212 -1.812) 2.859 19.031 ( 0.000 6.353 4.967) 8.064 19.299 ( 0.000 1.772 17.245) 17.336 19.531 ( 0.000 -5.040 -7.009) 8.633 20.009 ( 0.000 -13.254 -3.559) 13.724 21.251 ( 0.000 3.204 0.792) 3.300 21.391 ( 0.000 1.250 -4.253) 4.433 21.556 ( 0.000 0.038 4.480) 4.480 21.742 ( 0.000 0.538 -1.675) 1.759 22.533 ( 0.000 -7.072 0.982) 7.140 22.604 ( 0.000 -10.115 -0.840) 10.149 22.686 ( 0.000 -1.923 0.241) 1.938 22.692 ( 0.000 -3.216 0.030) 3.216 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( -4.266 0.680 0.402) 4.339 3.365 ( 0.096 7.194 -3.178) 7.865 3.437 ( -0.402 19.265 -4.634) 19.818 3.517 ( -2.387 19.440 -1.752) 19.665 3.601 ( -0.353 9.205 0.545) 9.228 3.757 ( -8.504 3.797 3.354) 9.899 3.804 ( -1.084 15.474 9.478) 18.178 4.150 ( -2.904 17.301 -0.147) 17.544 4.297 ( 1.135 7.407 -0.246) 7.497 4.360 ( 4.365 4.842 0.249) 6.524 4.461 ( 3.651 5.220 -2.268) 6.762 4.526 ( 2.894 8.116 -0.171) 8.618 4.655 ( 1.764 7.394 2.761) 8.088 4.724 ( 0.511 3.132 3.051) 4.402 4.842 ( 12.822 3.260 5.470) 14.316 5.087 ( -0.676 5.868 8.115) 10.037 5.137 ( -3.941 0.931 2.195) 4.606 5.265 ( -1.629 5.161 -1.156) 5.534 5.284 ( -5.684 3.970 2.936) 7.529 5.739 ( 4.562 8.845 3.115) 10.428 5.880 ( 2.077 -0.643 0.711) 2.288 5.965 ( 5.208 0.027 -6.872) 8.622 6.021 ( 2.609 12.336 3.290) 13.031 6.159 ( 5.424 0.808 1.079) 5.589 6.360 ( -10.207 1.607 1.953) 10.515 6.677 ( -15.028 0.229 -1.629) 15.118 6.709 ( 2.203 2.271 -8.387) 8.964 6.899 ( -2.146 9.194 -12.200) 15.427 7.118 ( 2.594 6.663 3.368) 7.903 7.176 ( -0.863 5.262 -2.072) 5.721 7.345 ( 9.740 6.120 3.175) 11.933 7.461 ( -6.499 9.515 -0.598) 11.538 7.497 ( 3.967 2.813 1.655) 5.138 7.625 ( 3.464 7.981 1.119) 8.772 7.687 ( 0.569 8.209 -4.903) 9.579 7.858 ( -1.077 3.831 -8.975) 9.818 7.920 ( 8.244 8.732 -4.770) 12.921 8.005 ( 1.012 9.960 -5.717) 11.529 8.182 ( -5.889 8.207 3.033) 10.547 8.350 ( -3.991 9.546 -0.926) 10.388 8.405 ( -3.670 14.637 -1.517) 15.166 8.433 ( -3.741 -5.151 -3.506) 7.268 8.692 ( 4.854 6.674 0.210) 8.255 8.859 ( -1.228 5.625 -2.943) 6.466 9.192 ( -1.600 -15.506 2.646) 15.812 9.251 ( -0.123 -10.004 7.051) 12.240 9.259 ( 1.115 -14.816 3.557) 15.278 9.394 ( -1.186 -11.157 -2.538) 11.503 9.483 ( 0.687 2.093 -1.551) 2.694 9.664 ( -3.819 -0.769 2.229) 4.488 9.737 ( 5.697 2.445 0.201) 6.203 9.883 ( 2.155 -1.227 -2.642) 3.623 10.079 ( 0.178 -4.058 13.414) 14.016 10.176 ( 2.174 -3.277 9.549) 10.327 10.437 ( 7.003 4.452 -0.701) 8.327 10.697 ( -0.610 -7.922 2.879) 8.451 10.825 ( 5.254 -0.109 5.628) 7.700 10.927 ( 0.314 0.953 -4.176) 4.295 11.051 ( 0.769 -6.217 -9.188) 11.120 11.273 ( -3.556 -8.380 1.226) 9.185 11.423 ( -0.669 2.911 8.924) 9.411 11.801 ( -10.748 9.401 0.174) 14.280 11.948 ( -2.696 2.158 -3.494) 4.913 12.037 ( -2.765 -0.821 -0.201) 2.892 12.209 ( 6.570 7.037 7.111) 11.969 12.662 ( 0.783 11.340 -1.044) 11.415 12.699 ( -5.280 10.768 2.147) 12.184 12.773 ( -0.843 10.267 -0.026) 10.302 13.229 ( 2.587 5.280 0.492) 5.901 13.491 ( -5.949 -4.205 4.247) 8.433 13.833 ( 3.303 0.854 -2.167) 4.042 13.854 ( 1.613 -5.303 -8.564) 10.201 14.590 ( 1.375 -16.226 2.748) 16.515 14.914 ( -9.107 -18.323 1.581) 20.522 15.190 ( 2.095 -28.376 -8.587) 29.721 15.380 ( -2.619 -28.931 -12.149) 31.487 15.526 ( 12.799 -0.837 -5.428) 13.927 15.970 ( -1.099 0.656 -12.113) 12.181 16.020 ( 2.690 -2.864 -8.817) 9.653 16.183 ( -1.191 -8.572 -6.626) 10.900 16.624 ( 2.198 4.318 18.585) 19.206 16.819 ( 3.592 1.602 5.868) 7.065 17.090 ( -7.641 0.982 1.690) 7.887 17.118 ( -4.696 -1.920 0.279) 5.081 19.047 ( 1.688 6.310 5.668) 8.648 19.245 ( -4.119 3.419 13.174) 14.220 19.618 ( 7.265 -7.273 -4.751) 11.324 19.983 ( -2.715 -13.102 -3.927) 13.945 21.262 ( 1.133 3.363 0.766) 3.631 21.383 ( -0.995 2.574 -3.489) 4.449 21.542 ( -0.773 -0.703 3.851) 3.990 21.706 ( -3.426 0.104 -1.445) 3.719 22.545 ( 1.283 -6.013 0.849) 6.207 22.623 ( 0.802 -6.775 -1.579) 7.003 22.677 ( 0.654 -5.177 1.269) 5.370 22.717 ( 1.286 -4.773 -0.188) 4.947 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 1.724 9.564 2.811) 10.117 3.244 ( -8.247 18.042 2.457) 19.989 3.473 ( 3.718 6.155 -5.961) 9.341 3.539 ( 3.561 16.397 -0.275) 16.782 3.575 ( -5.200 9.114 -0.890) 10.531 3.631 ( -3.962 13.101 1.519) 13.771 3.836 ( 6.496 13.253 1.987) 14.893 4.014 ( -9.694 14.572 -1.410) 17.559 4.332 ( 2.419 7.780 -0.791) 8.186 4.377 ( -1.772 5.811 -2.456) 6.553 4.536 ( 3.718 8.286 -0.657) 9.106 4.575 ( 0.453 12.896 -0.390) 12.909 4.720 ( 3.586 4.616 5.412) 7.966 4.743 ( 1.121 0.732 6.609) 6.743 5.051 ( -2.659 1.808 2.577) 4.120 5.058 ( -2.738 7.426 3.680) 8.728 5.138 ( 8.489 -3.439 6.283) 11.107 5.191 ( -0.558 0.767 5.287) 5.372 5.318 ( 10.902 2.275 2.910) 11.510 5.653 ( -14.856 -2.897 5.257) 16.022 5.936 ( 2.227 3.279 2.684) 4.787 5.964 ( -2.289 3.356 0.604) 4.107 6.132 ( 8.970 3.630 -7.113) 12.010 6.256 ( -0.449 0.924 -2.994) 3.165 6.298 ( 4.065 5.336 2.350) 7.108 6.417 ( -10.047 0.304 -5.341) 11.383 6.742 ( 2.181 6.075 -6.781) 9.361 6.818 ( -5.108 10.220 -9.086) 14.598 7.148 ( 2.421 10.148 0.192) 10.434 7.251 ( -6.003 9.219 -0.125) 11.002 7.290 ( 8.008 7.859 -1.899) 11.380 7.463 ( -5.588 6.851 -5.384) 10.352 7.595 ( 6.061 6.471 0.902) 8.912 7.662 ( -0.807 5.090 -0.719) 5.204 7.744 ( 5.443 6.033 0.684) 8.154 7.825 ( -2.471 2.700 -3.083) 4.785 7.997 ( 1.770 9.121 -2.717) 9.681 8.066 ( -4.649 5.895 0.987) 7.572 8.121 ( 8.038 8.683 -2.565) 12.107 8.271 ( -6.076 10.185 0.819) 11.888 8.328 ( -1.137 12.856 -1.978) 13.057 8.362 ( -3.211 4.790 -2.792) 6.407 8.771 ( 3.156 6.214 -2.658) 7.459 8.823 ( -2.262 5.342 -3.245) 6.647 9.175 ( 0.340 -14.342 1.791) 14.458 9.209 ( -2.776 -13.814 3.174) 14.443 9.307 ( 3.215 -15.165 4.136) 16.044 9.367 ( -2.328 -15.967 -0.043) 16.136 9.521 ( 2.574 0.898 0.131) 2.729 9.580 ( -3.688 0.685 2.508) 4.512 9.843 ( 4.677 2.259 -2.845) 5.922 9.907 ( -1.106 2.206 -2.915) 3.819 10.114 ( 3.603 -3.961 14.212) 15.187 10.182 ( -2.122 -4.534 12.256) 13.239 10.592 ( 7.647 -0.430 -0.162) 7.661 10.691 ( -1.789 -5.210 0.294) 5.517 10.925 ( 3.912 2.418 2.341) 5.160 10.944 ( 1.162 1.307 -2.002) 2.658 11.082 ( 3.144 -5.781 -3.346) 7.382 11.180 ( -5.816 -8.065 -0.267) 9.947 11.428 ( 2.700 4.704 4.514) 7.056 11.570 ( -11.169 8.816 1.173) 14.277 11.918 ( 0.452 2.394 -5.469) 5.987 11.967 ( -3.851 -0.713 -4.420) 5.906 12.362 ( 8.944 8.022 8.679) 14.821 12.543 ( -9.001 8.262 6.941) 14.052 12.706 ( 2.235 11.144 0.538) 11.378 12.747 ( -1.787 10.388 1.106) 10.598 13.292 ( 3.745 2.191 0.846) 4.421 13.378 ( -5.163 -0.672 2.452) 5.755 13.880 ( 1.288 -1.372 -5.833) 6.129 13.883 ( 0.923 -3.060 -7.751) 8.384 14.642 ( 4.043 -16.785 3.645) 17.646 14.751 ( -7.118 -17.247 3.473) 18.979 15.245 ( 3.372 -29.066 -9.557) 30.782 15.315 ( -3.693 -29.321 -10.573) 31.387 15.768 ( 10.775 -1.047 -11.240) 15.605 15.920 ( -4.701 -0.308 -12.836) 13.673 16.083 ( 3.471 -4.649 -7.064) 9.141 16.145 ( -2.675 -6.678 -6.572) 9.743 16.705 ( 6.556 5.164 16.477) 18.470 16.883 ( -10.967 3.503 9.916) 15.195 16.913 ( 5.491 0.271 3.526) 6.531 17.025 ( -5.462 -0.923 1.333) 5.698 19.095 ( 3.096 6.049 7.366) 10.022 19.165 ( -3.932 5.215 9.736) 11.724 19.770 ( 7.648 -10.331 -4.634) 13.663 19.902 ( -5.560 -12.294 -4.568) 14.245 21.295 ( 2.227 3.822 0.527) 4.455 21.346 ( -2.651 4.043 -0.849) 4.909 21.555 ( 2.394 -1.267 1.221) 2.971 21.625 ( -4.364 -0.661 -0.640) 4.460 22.579 ( 1.956 -4.056 0.289) 4.512 22.613 ( -1.397 -2.885 -0.663) 3.274 22.711 ( 1.863 -9.018 0.610) 9.229 22.731 ( -0.059 -7.530 0.016) 7.531 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 0.000 -3.537 0.663) 3.599 3.271 ( 0.000 -7.151 -5.703) 9.146 3.712 ( 0.000 7.295 0.293) 7.301 3.725 ( 0.000 3.582 7.065) 7.921 3.845 ( 0.000 7.299 4.989) 8.841 3.893 ( 0.000 8.229 0.964) 8.285 4.211 ( 0.000 12.637 -0.674) 12.655 4.240 ( 0.000 2.225 -6.075) 6.469 4.454 ( 0.000 5.952 -3.021) 6.674 4.529 ( 0.000 13.300 -0.892) 13.330 4.561 ( 0.000 8.248 10.354) 13.237 4.618 ( 0.000 7.330 2.109) 7.627 4.754 ( 0.000 2.082 -0.656) 2.183 4.808 ( 0.000 6.339 5.201) 8.199 4.818 ( 0.000 0.322 6.560) 6.568 5.113 ( 0.000 -4.092 6.213) 7.440 5.181 ( 0.000 1.834 2.505) 3.105 5.320 ( 0.000 -0.977 -0.929) 1.348 5.485 ( 0.000 5.095 -7.127) 8.761 5.771 ( 0.000 -7.242 -8.072) 10.844 5.887 ( 0.000 10.841 -2.515) 11.129 5.905 ( 0.000 3.540 0.763) 3.621 6.098 ( 0.000 -1.017 1.915) 2.168 6.202 ( 0.000 -0.964 -0.392) 1.041 6.562 ( 0.000 8.133 0.454) 8.146 6.656 ( 0.000 5.647 -0.741) 5.695 6.908 ( 0.000 -0.549 2.707) 2.762 7.051 ( 0.000 9.468 9.838) 13.654 7.195 ( 0.000 0.338 -5.722) 5.732 7.268 ( 0.000 2.366 -4.564) 5.141 7.277 ( 0.000 2.720 -2.968) 4.026 7.444 ( 0.000 1.531 -0.097) 1.534 7.550 ( 0.000 -12.978 -3.586) 13.464 7.604 ( 0.000 -12.312 -6.123) 13.751 7.791 ( 0.000 9.657 -2.033) 9.869 7.914 ( 0.000 1.983 -1.793) 2.673 8.048 ( 0.000 12.232 -8.513) 14.903 8.122 ( 0.000 3.374 -5.964) 6.853 8.257 ( 0.000 -5.021 1.632) 5.279 8.345 ( 0.000 1.032 -2.636) 2.831 8.609 ( 0.000 9.876 0.162) 9.877 8.694 ( 0.000 10.188 -1.586) 10.310 8.736 ( 0.000 2.296 2.763) 3.592 8.901 ( 0.000 -2.408 -2.590) 3.536 8.958 ( 0.000 -1.157 -2.584) 2.832 9.092 ( 0.000 -11.270 -5.657) 12.610 9.265 ( 0.000 5.884 9.082) 10.822 9.364 ( 0.000 3.742 5.555) 6.698 9.582 ( 0.000 5.674 0.617) 5.708 9.698 ( 0.000 0.508 0.605) 0.791 9.754 ( 0.000 2.601 -1.244) 2.884 9.786 ( 0.000 -3.486 -1.483) 3.788 10.103 ( 0.000 8.804 10.916) 14.024 10.176 ( 0.000 4.551 6.816) 8.196 10.461 ( 0.000 -10.236 -2.148) 10.459 10.526 ( 0.000 2.503 -1.653) 2.999 10.792 ( 0.000 4.297 8.354) 9.394 10.830 ( 0.000 -12.762 -5.339) 13.834 10.900 ( 0.000 -3.333 -4.690) 5.754 11.158 ( 0.000 -8.417 0.570) 8.437 11.507 ( 0.000 4.804 8.991) 10.194 11.809 ( 0.000 -11.331 1.599) 11.443 12.046 ( 0.000 4.819 -0.888) 4.900 12.142 ( 0.000 0.524 -3.534) 3.573 12.373 ( 0.000 18.837 13.173) 22.986 12.832 ( 0.000 5.769 -0.781) 5.821 12.971 ( 0.000 7.495 0.819) 7.539 12.971 ( 0.000 6.346 2.277) 6.742 13.342 ( 0.000 7.187 -1.161) 7.280 13.489 ( 0.000 2.516 2.601) 3.619 13.715 ( 0.000 -4.857 -1.168) 4.995 13.870 ( 0.000 4.548 -1.464) 4.778 14.306 ( 0.000 -10.221 3.657) 10.855 14.569 ( 0.000 -22.941 1.912) 23.021 14.602 ( 0.000 -26.210 0.150) 26.211 14.778 ( 0.000 -29.209 -0.118) 29.209 15.544 ( 0.000 11.260 -14.034) 17.993 15.939 ( 0.000 -6.449 -16.011) 17.261 16.027 ( 0.000 2.148 -16.178) 16.320 16.059 ( 0.000 -2.698 -9.553) 9.927 16.717 ( 0.000 6.149 15.846) 16.997 16.825 ( 0.000 1.043 9.982) 10.036 17.141 ( 0.000 0.278 0.757) 0.807 17.162 ( 0.000 -1.227 1.742) 2.131 19.160 ( 0.000 6.833 2.327) 7.218 19.379 ( 0.000 6.348 8.687) 10.759 19.420 ( 0.000 -6.246 -3.913) 7.370 19.758 ( 0.000 -12.356 -1.706) 12.473 21.304 ( 0.000 2.486 0.742) 2.594 21.390 ( 0.000 -1.247 -1.726) 2.129 21.561 ( 0.000 1.176 2.322) 2.603 21.699 ( 0.000 -4.230 -1.445) 4.470 22.433 ( 0.000 -3.156 0.395) 3.181 22.459 ( 0.000 -4.767 -0.288) 4.776 22.650 ( 0.000 -1.287 0.157) 1.296 22.656 ( 0.000 -1.264 0.023) 1.264 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 3.523 1.151 0.976) 3.833 3.360 ( 7.336 -5.304 -6.327) 11.045 3.708 ( -4.309 4.407 7.116) 9.414 3.729 ( 1.015 5.698 2.287) 6.223 3.798 ( -2.179 9.964 0.107) 10.200 3.878 ( -0.384 8.740 -1.417) 8.863 4.116 ( -6.352 13.657 2.996) 15.357 4.335 ( 3.044 0.349 -3.365) 4.551 4.421 ( 0.255 3.851 -2.392) 4.540 4.459 ( -5.070 10.629 -2.133) 11.968 4.549 ( -0.584 5.951 5.487) 8.116 4.704 ( 3.671 3.358 6.675) 8.325 4.724 ( 0.245 4.289 0.239) 4.303 4.816 ( 0.786 5.812 3.755) 6.964 4.886 ( 5.495 -0.154 6.725) 8.686 5.095 ( -1.903 -4.234 4.837) 6.704 5.175 ( 0.057 2.244 3.508) 4.165 5.311 ( -0.663 -0.450 -1.040) 1.312 5.416 ( -5.252 9.124 -3.887) 11.222 5.759 ( -4.352 -7.458 -2.630) 9.027 5.916 ( 3.380 6.623 -3.195) 8.093 5.950 ( 4.171 2.329 -2.969) 5.625 6.111 ( -3.000 -3.583 1.198) 4.824 6.144 ( -0.140 -2.522 1.435) 2.905 6.512 ( -1.856 12.455 1.847) 12.727 6.688 ( -0.802 5.611 -4.059) 6.971 6.887 ( -7.984 9.602 1.477) 12.575 6.991 ( 4.643 1.929 -6.595) 8.293 7.248 ( -1.383 3.917 -2.409) 4.802 7.261 ( 2.968 6.348 -1.827) 7.242 7.368 ( 8.419 -4.702 1.108) 9.706 7.499 ( 3.557 0.311 0.423) 3.596 7.570 ( 1.794 -11.626 -4.113) 12.462 7.595 ( -0.591 -10.699 -5.338) 11.971 7.735 ( -2.237 8.278 0.961) 8.628 7.944 ( -2.240 1.164 -3.278) 4.137 8.058 ( 3.381 9.606 -5.413) 11.533 8.149 ( 1.968 4.555 -4.931) 6.996 8.261 ( 0.277 -4.526 0.790) 4.603 8.306 ( -3.341 3.630 -1.829) 5.261 8.570 ( -3.085 10.776 1.016) 11.255 8.662 ( -3.104 9.176 -0.718) 9.714 8.761 ( 2.026 0.157 0.916) 2.229 8.865 ( -2.440 -2.340 -4.022) 5.254 9.011 ( 4.344 -1.176 0.047) 4.500 9.091 ( 0.256 -7.987 -4.696) 9.269 9.251 ( -1.768 4.852 8.289) 9.767 9.323 ( -3.924 3.666 4.134) 6.777 9.568 ( -0.388 6.257 1.357) 6.414 9.658 ( -3.109 0.966 1.586) 3.622 9.780 ( 2.771 -0.828 -4.217) 5.114 9.852 ( 4.160 -2.897 -1.469) 5.278 10.125 ( 1.924 9.303 10.321) 14.027 10.203 ( 1.719 5.258 7.484) 9.307 10.494 ( 3.456 -10.053 -0.385) 10.637 10.543 ( 1.937 3.220 -1.759) 4.149 10.832 ( 3.228 -1.034 3.075) 4.577 10.853 ( 2.365 -10.260 -2.941) 10.932 10.903 ( 0.508 -3.093 -3.044) 4.369 11.114 ( -4.241 -8.239 1.072) 9.328 11.509 ( 0.796 6.052 7.754) 9.868 11.818 ( 0.923 -9.564 0.539) 9.623 11.978 ( -7.325 6.592 -1.186) 9.926 12.079 ( -5.193 1.772 -2.969) 6.239 12.424 ( 4.919 15.341 12.318) 20.280 12.823 ( -1.393 6.656 1.341) 6.931 12.905 ( -4.413 6.466 1.990) 8.077 12.966 ( -1.813 5.894 1.953) 6.468 13.350 ( 0.915 6.968 -0.566) 7.050 13.477 ( -1.500 5.813 3.448) 6.923 13.733 ( 2.107 -6.845 -3.131) 7.816 13.872 ( -0.118 2.039 -2.490) 3.220 14.311 ( 0.589 -10.376 3.755) 11.050 14.505 ( -5.332 -20.215 2.875) 21.103 14.621 ( 1.828 -26.139 -0.289) 26.204 14.766 ( -1.351 -28.613 -0.965) 28.661 15.637 ( 8.369 8.518 -14.455) 18.750 15.960 ( 1.836 -5.546 -14.872) 15.978 16.015 ( -1.266 1.996 -16.125) 16.297 16.058 ( -0.231 -2.980 -10.049) 10.484 16.740 ( 2.433 6.115 15.167) 16.533 16.851 ( 2.628 0.747 8.901) 9.311 17.099 ( -6.022 0.247 3.654) 7.048 17.109 ( -3.220 0.135 1.450) 3.534 19.178 ( 1.857 7.107 2.798) 7.860 19.344 ( -2.468 6.494 5.895) 9.111 19.476 ( 4.377 -7.123 -1.835) 8.560 19.735 ( -2.317 -12.191 -1.923) 12.557 21.318 ( 1.399 2.618 0.725) 3.056 21.404 ( 1.298 -0.589 -2.011) 2.465 21.530 ( -2.663 0.510 2.551) 3.722 21.659 ( -3.690 -4.170 -1.244) 5.706 22.460 ( 2.638 -2.625 0.429) 3.746 22.494 ( 3.109 -4.712 -0.453) 5.664 22.633 ( -1.509 -1.144 0.372) 1.930 22.651 ( -0.721 -2.208 -0.102) 2.325 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 10.143 8.286 0.925) 13.130 3.507 ( 3.475 3.575 -2.828) 5.733 3.547 ( -6.932 6.374 -1.249) 9.500 3.665 ( -6.738 2.424 -0.096) 7.161 3.823 ( 4.061 11.907 1.681) 12.692 3.904 ( -1.730 13.174 0.834) 13.314 4.036 ( 3.246 6.346 3.616) 7.993 4.208 ( -10.903 4.388 -1.719) 11.878 4.448 ( 1.957 4.448 -1.885) 5.212 4.477 ( 0.340 4.603 0.773) 4.680 4.575 ( 4.784 -1.698 2.124) 5.503 4.667 ( -3.388 -1.992 3.396) 5.194 4.806 ( 3.287 5.653 3.602) 7.465 4.840 ( 0.465 4.898 4.004) 6.344 4.983 ( 3.918 -5.344 3.906) 7.692 5.048 ( -2.691 -6.304 2.541) 7.310 5.206 ( 3.043 5.194 5.087) 7.881 5.286 ( -4.345 10.359 1.054) 11.282 5.369 ( 5.332 1.557 1.323) 5.710 5.575 ( -12.645 -3.606 1.536) 13.239 5.989 ( 3.173 2.395 0.666) 4.031 6.023 ( 0.432 2.053 2.044) 2.929 6.082 ( 4.249 -3.758 -5.740) 8.070 6.164 ( -1.388 -5.964 -1.771) 6.375 6.500 ( 0.764 12.391 -0.621) 12.430 6.573 ( -7.046 13.308 -2.647) 15.289 6.870 ( 4.019 4.871 -6.715) 9.218 6.972 ( -5.177 4.094 -10.221) 12.167 7.282 ( 3.891 3.017 -3.138) 5.839 7.335 ( 0.854 1.378 -5.778) 6.001 7.493 ( 4.653 8.780 3.089) 10.406 7.534 ( 1.509 -0.077 -2.132) 2.613 7.605 ( 1.534 -10.363 -4.525) 11.411 7.617 ( 1.705 -8.985 -3.639) 9.842 7.733 ( 1.581 -0.339 5.117) 5.366 7.829 ( -7.634 1.917 0.628) 7.896 8.142 ( 3.823 4.209 -2.108) 6.064 8.177 ( 0.369 6.206 -2.710) 6.782 8.252 ( -1.415 4.224 -0.431) 4.475 8.256 ( -1.004 -2.167 -0.495) 2.440 8.535 ( 0.401 11.421 1.492) 11.525 8.586 ( -4.074 9.785 0.488) 10.611 8.795 ( 1.344 -3.869 -2.257) 4.677 8.823 ( -1.727 -4.065 -4.072) 6.007 9.107 ( 4.672 0.539 2.640) 5.393 9.126 ( 4.004 -0.604 -1.450) 4.301 9.191 ( -4.104 3.257 4.916) 7.185 9.228 ( -5.408 2.526 2.254) 6.381 9.576 ( 1.030 5.234 1.838) 5.642 9.606 ( -2.059 3.120 1.866) 4.178 9.842 ( 3.356 -3.683 -5.114) 7.140 9.890 ( -0.738 -4.830 -4.337) 6.533 10.171 ( 2.650 9.630 10.340) 14.376 10.211 ( -1.020 7.606 9.672) 12.347 10.572 ( 3.329 -6.454 -0.559) 7.283 10.590 ( 1.714 -1.892 -1.337) 2.882 10.895 ( 2.748 -4.629 -0.684) 5.427 10.908 ( 3.327 -9.103 -1.805) 9.858 10.921 ( 0.691 -3.302 0.330) 3.389 11.010 ( -5.853 -8.466 1.100) 10.351 11.575 ( 6.832 9.197 4.057) 12.154 11.765 ( -10.847 9.132 -0.508) 14.189 11.872 ( 2.760 -4.820 -0.558) 5.583 11.966 ( -5.970 -0.575 -2.902) 6.663 12.556 ( 8.186 12.138 10.545) 18.043 12.723 ( -8.153 10.290 7.190) 14.968 12.875 ( 1.189 3.773 1.566) 4.254 12.917 ( -2.706 4.753 2.123) 5.867 13.381 ( 2.211 7.304 0.849) 7.678 13.432 ( -2.790 7.929 2.640) 8.811 13.793 ( 3.534 -6.881 -4.700) 9.052 13.852 ( -2.104 -2.938 -4.293) 5.611 14.335 ( 2.176 -11.776 4.121) 12.664 14.402 ( -4.620 -15.463 4.079) 16.646 14.669 ( 2.847 -26.428 -1.182) 26.607 14.725 ( -2.708 -27.333 -1.541) 27.510 15.817 ( 8.865 4.452 -15.717) 18.586 15.951 ( -4.379 2.020 -16.046) 16.755 16.012 ( 1.860 -3.828 -12.946) 13.628 16.045 ( -1.216 -3.494 -10.794) 11.411 16.817 ( 5.581 5.551 12.749) 14.984 16.923 ( 4.020 0.425 6.247) 7.441 16.956 ( -7.231 3.113 8.284) 11.428 17.025 ( -5.055 -0.090 3.383) 6.083 19.228 ( 3.026 7.594 3.861) 9.040 19.289 ( -3.097 7.611 4.980) 9.609 19.573 ( 5.261 -9.866 -2.310) 11.417 19.669 ( -4.316 -11.497 -2.313) 12.496 21.359 ( 2.671 3.018 0.504) 4.062 21.411 ( -1.817 2.951 -1.105) 3.637 21.504 ( 1.604 -3.286 1.421) 3.923 21.574 ( -4.548 -3.983 -0.599) 6.076 22.523 ( 3.362 -1.689 0.281) 3.773 22.557 ( 2.151 -3.098 -0.866) 3.870 22.597 ( -1.473 -2.635 0.879) 3.144 22.624 ( -2.036 -3.643 -0.102) 4.175 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.000 -3.522 -0.982) 3.656 3.152 ( 0.000 3.522 -0.982) 3.656 3.760 ( 0.000 -0.305 6.384) 6.391 3.760 ( 0.000 0.305 6.384) 6.391 3.959 ( 0.000 -2.079 -0.014) 2.079 3.959 ( 0.000 2.079 -0.014) 2.079 4.273 ( 0.000 -1.124 -8.327) 8.403 4.273 ( 0.000 1.125 -8.327) 8.403 4.614 ( 0.000 -3.572 3.144) 4.758 4.614 ( 0.000 3.572 3.144) 4.758 4.712 ( 0.000 -2.050 7.344) 7.625 4.712 ( 0.000 2.050 7.344) 7.625 4.768 ( 0.000 -1.380 0.923) 1.660 4.768 ( 0.000 1.380 0.923) 1.660 4.953 ( 0.000 -9.545 5.574) 11.053 4.953 ( 0.000 9.545 5.574) 11.053 5.253 ( 0.000 -4.705 0.417) 4.723 5.253 ( 0.000 4.705 0.417) 4.723 5.616 ( 0.000 -7.957 -6.322) 10.163 5.616 ( 0.000 7.957 -6.322) 10.163 5.978 ( 0.000 -2.346 -2.605) 3.506 5.978 ( 0.000 2.346 -2.605) 3.506 6.122 ( 0.000 -4.293 -2.124) 4.790 6.122 ( 0.000 4.293 -2.124) 4.790 6.718 ( 0.000 -2.912 1.564) 3.306 6.718 ( 0.000 2.912 1.564) 3.306 7.012 ( 0.000 -12.383 -1.143) 12.436 7.012 ( 0.000 12.384 -1.143) 12.436 7.260 ( 0.000 -11.857 7.508) 14.034 7.260 ( 0.000 11.857 7.508) 14.034 7.313 ( 0.000 -3.762 -5.976) 7.061 7.313 ( 0.000 3.762 -5.976) 7.061 7.457 ( 0.000 -0.477 -4.859) 4.883 7.457 ( 0.000 0.478 -4.859) 4.883 7.909 ( 0.000 -2.472 -1.597) 2.943 7.909 ( 0.000 2.472 -1.597) 2.943 8.172 ( 0.000 -1.823 -1.146) 2.154 8.172 ( 0.000 1.824 -1.147) 2.154 8.286 ( 0.000 -7.013 -3.937) 8.042 8.286 ( 0.000 7.013 -3.937) 8.042 8.778 ( 0.000 -7.602 -1.401) 7.730 8.778 ( 0.000 7.602 -1.401) 7.730 8.792 ( 0.000 -1.866 -1.717) 2.535 8.792 ( 0.000 1.866 -1.717) 2.535 8.975 ( 0.000 -1.290 -3.468) 3.700 8.975 ( 0.000 1.290 -3.468) 3.700 9.367 ( 0.000 -3.458 5.931) 6.865 9.367 ( 0.000 3.458 5.931) 6.865 9.699 ( 0.000 -3.346 -0.493) 3.382 9.699 ( 0.000 3.346 -0.493) 3.383 9.741 ( 0.000 -0.582 -0.707) 0.916 9.741 ( 0.000 0.582 -0.707) 0.916 10.276 ( 0.000 -6.472 2.618) 6.981 10.276 ( 0.000 6.472 2.618) 6.981 10.379 ( 0.000 -16.560 4.097) 17.059 10.379 ( 0.000 16.560 4.097) 17.059 10.780 ( 0.000 -5.493 -4.244) 6.941 10.780 ( 0.000 5.493 -4.244) 6.941 10.964 ( 0.000 -10.353 3.488) 10.925 10.964 ( 0.000 10.353 3.488) 10.925 11.625 ( 0.000 -7.501 5.788) 9.475 11.625 ( 0.000 7.502 5.788) 9.475 12.119 ( 0.000 -2.678 -1.942) 3.308 12.119 ( 0.000 2.678 -1.942) 3.308 12.730 ( 0.000 -15.552 8.583) 17.763 12.730 ( 0.000 15.552 8.583) 17.763 13.035 ( 0.000 -1.669 1.879) 2.513 13.035 ( 0.000 1.669 1.879) 2.513 13.480 ( 0.000 -6.482 -4.376) 7.821 13.480 ( 0.000 6.482 -4.376) 7.821 13.825 ( 0.000 -12.227 1.921) 12.377 13.825 ( 0.000 12.227 1.921) 12.377 14.261 ( 0.000 -6.965 3.895) 7.980 14.261 ( 0.000 6.965 3.895) 7.980 14.374 ( 0.000 -9.006 1.476) 9.127 14.374 ( 0.000 9.007 1.476) 9.127 15.761 ( 0.000 -10.667 -15.681) 18.965 15.761 ( 0.000 10.667 -15.681) 18.965 16.047 ( 0.000 -0.149 -14.501) 14.501 16.047 ( 0.000 0.149 -14.501) 14.501 16.808 ( 0.000 -2.906 12.776) 13.103 16.808 ( 0.000 2.906 12.776) 13.103 17.147 ( 0.000 -0.421 1.733) 1.784 17.147 ( 0.000 0.421 1.733) 1.784 19.293 ( 0.000 -6.796 -0.567) 6.820 19.293 ( 0.000 6.796 -0.567) 6.820 19.539 ( 0.000 -9.968 2.386) 10.250 19.539 ( 0.000 9.968 2.386) 10.250 21.352 ( 0.000 -2.382 0.354) 2.408 21.352 ( 0.000 2.382 0.354) 2.408 21.612 ( 0.000 -3.977 -0.348) 3.992 21.612 ( 0.000 3.977 -0.348) 3.992 22.409 ( 0.000 -0.651 0.005) 0.651 22.409 ( 0.000 0.651 0.005) 0.651 22.640 ( 0.000 -0.225 0.117) 0.254 22.640 ( 0.000 0.225 0.117) 0.254 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 8.564 -5.538 -1.591) 10.322 3.240 ( 8.564 5.538 -1.591) 10.322 3.756 ( -1.388 -0.842 6.555) 6.753 3.756 ( -1.388 0.842 6.555) 6.753 3.940 ( -0.526 -2.781 -1.916) 3.418 3.940 ( -0.526 2.781 -1.916) 3.418 4.283 ( -0.732 -4.832 -5.685) 7.496 4.283 ( -0.732 4.832 -5.685) 7.497 4.539 ( -5.301 -4.292 1.978) 7.102 4.539 ( -5.301 4.292 1.978) 7.102 4.661 ( -3.413 -5.243 4.608) 7.770 4.661 ( -3.413 5.243 4.608) 7.770 4.837 ( 4.319 -4.133 4.199) 7.305 4.837 ( 4.319 4.133 4.199) 7.305 4.941 ( -1.021 -8.015 5.251) 9.636 4.941 ( -1.021 8.015 5.251) 9.636 5.256 ( 0.950 -4.636 0.636) 4.775 5.256 ( 0.950 4.636 0.636) 4.775 5.598 ( -2.966 -9.017 -4.585) 10.541 5.598 ( -2.966 9.017 -4.585) 10.541 5.992 ( 1.221 -1.368 -2.697) 3.261 5.992 ( 1.221 1.368 -2.697) 3.261 6.082 ( -2.020 -2.304 0.584) 3.120 6.082 ( -2.020 2.305 0.584) 3.120 6.732 ( 1.135 -7.189 -3.305) 7.993 6.732 ( 1.135 7.189 -3.305) 7.993 7.009 ( -3.502 -2.601 -4.719) 6.426 7.009 ( -3.502 2.602 -4.719) 6.427 7.266 ( 2.941 -3.220 5.783) 7.243 7.266 ( 2.941 3.220 5.783) 7.243 7.348 ( 3.610 -3.357 -4.678) 6.796 7.348 ( 3.610 3.358 -4.678) 6.796 7.483 ( 2.486 -1.060 -1.732) 3.210 7.483 ( 2.486 1.060 -1.732) 3.210 7.896 ( -1.889 -5.659 -0.523) 5.989 7.896 ( -1.889 5.659 -0.523) 5.989 8.189 ( 1.558 -2.053 -1.154) 2.824 8.189 ( 1.558 2.053 -1.154) 2.824 8.276 ( -0.857 -6.012 -3.096) 6.816 8.276 ( -0.857 6.012 -3.096) 6.817 8.747 ( -2.633 -7.473 -1.198) 8.013 8.747 ( -2.633 7.473 -1.198) 8.013 8.765 ( -2.243 -2.659 -1.665) 3.857 8.765 ( -2.243 2.660 -1.665) 3.857 9.024 ( 4.481 -1.135 -1.902) 4.999 9.024 ( 4.481 1.135 -1.902) 4.999 9.334 ( -3.226 -2.723 5.590) 7.005 9.334 ( -3.226 2.723 5.590) 7.005 9.697 ( 0.234 -1.361 -1.806) 2.273 9.697 ( 0.234 1.361 -1.806) 2.273 9.750 ( 0.399 -4.291 -0.918) 4.407 9.750 ( 0.399 4.292 -0.918) 4.407 10.324 ( 4.253 -6.087 2.622) 7.875 10.324 ( 4.253 6.087 2.622) 7.875 10.400 ( 1.823 -15.177 3.842) 15.762 10.400 ( 1.823 15.177 3.842) 15.762 10.788 ( 1.005 -4.861 -3.335) 5.980 10.788 ( 1.005 4.861 -3.335) 5.980 10.947 ( -1.754 -7.680 3.155) 8.486 10.947 ( -1.754 7.680 3.155) 8.487 11.647 ( 2.533 -7.880 4.866) 9.601 11.647 ( 2.533 7.880 4.866) 9.602 12.067 ( -5.407 -2.719 -2.407) 6.513 12.067 ( -5.407 2.719 -2.407) 6.513 12.737 ( 1.251 -14.162 8.857) 16.750 12.737 ( 1.251 14.162 8.857) 16.751 12.998 ( -3.674 -2.579 2.533) 5.154 12.998 ( -3.674 2.579 2.533) 5.154 13.505 ( 2.629 -8.255 -3.331) 9.282 13.505 ( 2.629 8.256 -3.331) 9.282 13.781 ( -4.093 -12.655 1.286) 13.363 13.781 ( -4.093 12.655 1.286) 13.363 14.274 ( 1.263 -7.731 3.266) 8.487 14.274 ( 1.263 7.731 3.266) 8.487 14.365 ( -0.917 -10.009 1.393) 10.147 14.365 ( -0.917 10.009 1.393) 10.147 15.810 ( 4.583 -8.849 -15.411) 18.353 15.810 ( 4.583 8.850 -15.411) 18.353 16.038 ( -1.091 -0.519 -14.514) 14.564 16.038 ( -1.091 0.519 -14.514) 14.564 16.831 ( 2.355 -2.958 11.835) 12.424 16.831 ( 2.355 2.959 11.835) 12.424 17.106 ( -3.986 -0.363 2.810) 4.891 17.106 ( -3.986 0.364 2.810) 4.891 19.320 ( 2.641 -7.311 -0.334) 7.780 19.320 ( 2.641 7.311 -0.334) 7.780 19.519 ( -2.042 -9.817 2.066) 10.238 19.519 ( -2.042 9.817 2.066) 10.238 21.369 ( 1.712 -2.530 0.299) 3.069 21.369 ( 1.712 2.530 0.299) 3.069 21.575 ( -3.442 -3.825 -0.265) 5.153 21.575 ( -3.442 3.826 -0.265) 5.153 22.442 ( 3.122 -0.811 0.008) 3.226 22.442 ( 3.122 0.811 0.008) 3.226 22.626 ( -1.472 -0.445 0.103) 1.541 22.626 ( -1.472 0.445 0.103) 1.541 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 11.997 -5.798 -2.278) 13.518 3.453 ( 11.997 5.798 -2.278) 13.518 3.661 ( -8.344 -2.959 0.881) 8.897 3.661 ( -8.344 2.959 0.881) 8.897 3.996 ( 6.467 -4.900 1.076) 8.185 3.996 ( 6.467 4.900 1.076) 8.185 4.168 ( -9.754 -7.634 0.763) 12.409 4.168 ( -9.754 7.634 0.763) 12.409 4.515 ( 2.670 -1.997 0.204) 3.340 4.515 ( 2.670 1.997 0.204) 3.340 4.588 ( -4.046 -5.055 2.212) 6.842 4.588 ( -4.046 5.056 2.212) 6.843 4.897 ( 1.831 -3.530 3.748) 5.464 4.897 ( 1.831 3.530 3.748) 5.465 4.923 ( -0.935 -4.047 4.668) 6.248 4.923 ( -0.935 4.047 4.668) 6.248 5.324 ( 6.321 -4.912 1.574) 8.159 5.324 ( 6.321 4.912 1.574) 8.159 5.479 ( -8.346 -7.232 -0.114) 11.044 5.479 ( -8.346 7.232 -0.114) 11.044 6.030 ( 2.534 -1.845 -1.504) 3.477 6.030 ( 2.534 1.845 -1.504) 3.477 6.066 ( -0.778 -3.707 0.229) 3.794 6.066 ( -0.778 3.707 0.229) 3.794 6.774 ( 3.716 -11.498 -6.867) 13.899 6.774 ( 3.716 11.498 -6.867) 13.899 6.884 ( -7.175 -11.746 -6.553) 15.244 6.884 ( -7.175 11.746 -6.553) 15.244 7.337 ( 3.327 -3.529 -1.876) 5.200 7.337 ( 3.327 3.529 -1.876) 5.200 7.386 ( -1.098 -4.792 -5.183) 7.143 7.386 ( -1.098 4.792 -5.183) 7.144 7.614 ( 10.606 -2.947 4.026) 11.721 7.614 ( 10.606 2.947 4.026) 11.721 7.807 ( -7.670 -4.745 1.880) 9.213 7.807 ( -7.670 4.745 1.880) 9.213 8.224 ( 1.872 -1.292 -1.272) 2.606 8.224 ( 1.872 1.292 -1.272) 2.607 8.256 ( -1.278 -2.490 -1.590) 3.219 8.256 ( -1.279 2.490 -1.590) 3.219 8.707 ( -0.807 -4.701 -0.840) 4.843 8.707 ( -0.807 4.700 -0.840) 4.842 8.720 ( -1.890 -3.081 -0.943) 3.735 8.720 ( -1.890 3.081 -0.943) 3.736 9.131 ( 6.086 -0.950 0.776) 6.208 9.131 ( 6.086 0.950 0.776) 6.208 9.247 ( -5.457 -1.585 3.644) 6.750 9.247 ( -5.457 1.585 3.644) 6.750 9.715 ( 1.443 -3.583 -2.584) 4.647 9.715 ( 1.443 3.584 -2.584) 4.648 9.743 ( -1.140 -5.708 -1.994) 6.153 9.743 ( -1.140 5.708 -1.994) 6.153 10.404 ( 3.033 -6.941 2.671) 8.032 10.404 ( 3.033 6.941 2.671) 8.032 10.428 ( 0.472 -10.763 3.188) 11.235 10.428 ( 0.472 10.764 3.188) 11.236 10.828 ( 3.083 -2.531 -0.659) 4.043 10.828 ( 3.082 2.531 -0.659) 4.043 10.896 ( -3.382 -2.166 1.968) 4.473 10.896 ( -3.382 2.166 1.968) 4.473 11.741 ( 7.322 -7.362 1.910) 10.557 11.741 ( 7.322 7.362 1.910) 10.558 11.915 ( -9.429 -4.796 -1.410) 10.673 11.915 ( -9.429 4.797 -1.410) 10.673 12.794 ( 4.598 -10.362 7.706) 13.707 12.794 ( 4.598 10.362 7.706) 13.707 12.902 ( -5.781 -6.060 4.860) 9.684 12.902 ( -5.781 6.060 4.860) 9.684 13.579 ( 4.772 -11.067 -1.629) 12.162 13.579 ( 4.772 11.067 -1.629) 12.162 13.683 ( -5.529 -12.630 -0.122) 13.788 13.683 ( -5.529 12.630 -0.122) 13.788 14.305 ( 1.782 -9.369 2.150) 9.776 14.305 ( 1.782 9.369 2.150) 9.777 14.339 ( -1.603 -10.493 1.481) 10.718 14.339 ( -1.603 10.493 1.481) 10.718 15.914 ( 5.266 -5.050 -14.938) 16.625 15.914 ( 5.266 5.050 -14.938) 16.625 15.998 ( -3.145 -1.942 -14.619) 15.079 15.998 ( -3.145 1.942 -14.619) 15.079 16.900 ( 4.715 -2.821 9.177) 10.696 16.900 ( 4.715 2.822 9.177) 10.696 17.006 ( -5.744 -1.871 5.667) 8.283 17.006 ( -5.744 1.871 5.667) 8.283 19.387 ( 3.934 -8.379 0.336) 9.262 19.387 ( 3.934 8.379 0.336) 9.262 19.463 ( -3.569 -9.303 1.259) 10.043 19.463 ( -3.569 9.303 1.259) 10.043 21.418 ( 3.343 -2.941 0.144) 4.455 21.418 ( 3.343 2.941 0.144) 4.455 21.495 ( -4.327 -3.441 -0.070) 5.528 21.495 ( -4.327 3.441 -0.070) 5.528 22.515 ( 3.864 -0.912 0.029) 3.970 22.515 ( 3.864 0.912 0.029) 3.970 22.583 ( -2.930 -0.755 0.068) 3.026 22.583 ( -2.930 0.755 0.068) 3.026 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 0.000 33.334) 33.334 1.506 ( 0.000 0.000 37.844) 37.844 1.860 ( 0.000 0.000 -28.044) 28.044 2.146 ( 0.000 0.000 -32.136) 32.136 2.236 ( 0.000 0.000 49.100) 49.100 2.774 ( 0.000 0.000 -9.795) 9.795 3.088 ( 0.000 0.000 14.700) 14.700 3.378 ( 0.000 0.000 6.368) 6.368 3.408 ( 0.000 0.000 9.196) 9.196 3.452 ( 0.000 0.000 -0.288) 0.288 3.483 ( 0.000 0.000 -25.610) 25.610 3.665 ( 0.000 0.000 -19.953) 19.953 4.044 ( 0.000 0.000 -0.085) 0.085 4.076 ( 0.000 0.000 -2.804) 2.804 4.185 ( 0.000 0.000 6.028) 6.028 4.261 ( 0.000 0.000 1.022) 1.022 4.276 ( 0.000 0.000 -0.621) 0.621 4.289 ( 0.000 0.000 -6.241) 6.241 4.608 ( 0.000 0.000 5.923) 5.923 4.612 ( 0.000 0.000 9.575) 9.575 4.722 ( 0.000 0.000 -6.345) 6.345 4.810 ( 0.000 0.000 -10.789) 10.789 5.227 ( 0.000 0.000 4.259) 4.259 5.295 ( 0.000 0.000 -3.121) 3.121 5.634 ( 0.000 0.000 9.169) 9.169 5.698 ( 0.000 0.000 11.832) 11.832 5.885 ( 0.000 0.000 -7.046) 7.046 5.984 ( 0.000 0.000 -8.724) 8.724 6.357 ( 0.000 0.000 4.709) 4.709 6.504 ( 0.000 0.000 -10.593) 10.593 6.685 ( 0.000 0.000 -0.799) 0.799 6.730 ( 0.000 0.000 -4.258) 4.258 7.062 ( 0.000 0.000 0.109) 0.109 7.124 ( 0.000 0.000 -6.777) 6.777 7.406 ( 0.000 0.000 3.643) 3.643 7.469 ( 0.000 0.000 -3.160) 3.160 7.660 ( 0.000 0.000 11.365) 11.365 7.767 ( 0.000 0.000 0.314) 0.314 8.333 ( 0.000 0.000 3.026) 3.026 8.345 ( 0.000 0.000 3.255) 3.255 8.601 ( 0.000 0.000 -0.094) 0.094 8.610 ( 0.000 0.000 0.691) 0.691 8.622 ( 0.000 0.000 -0.564) 0.564 8.642 ( 0.000 0.000 -4.843) 4.843 9.137 ( 0.000 0.000 7.093) 7.093 9.236 ( 0.000 0.000 -3.462) 3.462 9.604 ( 0.000 0.000 4.770) 4.770 9.699 ( 0.000 0.000 -5.390) 5.390 10.004 ( 0.000 0.000 5.937) 5.937 10.121 ( 0.000 0.000 -6.554) 6.554 10.525 ( 0.000 0.000 1.641) 1.641 10.593 ( 0.000 0.000 5.062) 5.062 10.607 ( 0.000 0.000 -7.139) 7.139 10.613 ( 0.000 0.000 5.888) 5.888 10.690 ( 0.000 0.000 -4.159) 4.159 10.750 ( 0.000 0.000 -7.398) 7.398 10.983 ( 0.000 0.000 4.645) 4.645 11.070 ( 0.000 0.000 -4.717) 4.717 11.136 ( 0.000 0.000 11.095) 11.095 11.333 ( 0.000 0.000 -9.470) 9.470 11.530 ( 0.000 0.000 4.496) 4.496 11.608 ( 0.000 0.000 -4.211) 4.211 11.732 ( 0.000 0.000 3.908) 3.908 11.800 ( 0.000 0.000 -3.122) 3.122 12.290 ( 0.000 0.000 14.507) 14.507 12.520 ( 0.000 0.000 -8.942) 8.942 13.206 ( 0.000 0.000 2.897) 2.897 13.298 ( 0.000 0.000 -7.908) 7.908 13.563 ( 0.000 0.000 7.500) 7.500 13.569 ( 0.000 0.000 7.652) 7.652 13.696 ( 0.000 0.000 -6.733) 6.733 13.705 ( 0.000 0.000 -6.824) 6.824 14.220 ( 0.000 0.000 -0.112) 0.112 14.292 ( 0.000 0.000 -7.104) 7.104 15.117 ( 0.000 0.000 7.809) 7.809 15.205 ( 0.000 0.000 -1.421) 1.421 15.602 ( 0.000 0.000 8.376) 8.376 15.659 ( 0.000 0.000 -0.910) 0.910 15.821 ( 0.000 0.000 3.508) 3.508 15.965 ( 0.000 0.000 -9.382) 9.382 18.495 ( 0.000 0.000 5.482) 5.482 18.593 ( 0.000 0.000 -4.893) 4.893 19.185 ( 0.000 0.000 0.326) 0.326 19.192 ( 0.000 0.000 -0.331) 0.331 19.201 ( 0.000 0.000 0.202) 0.202 19.205 ( 0.000 0.000 -0.196) 0.196 19.637 ( 0.000 0.000 3.255) 3.255 19.709 ( 0.000 0.000 -4.530) 4.530 20.481 ( 0.000 0.000 10.160) 10.160 20.672 ( 0.000 0.000 -10.488) 10.488 21.207 ( 0.000 0.000 3.462) 3.462 21.257 ( 0.000 0.000 -2.112) 2.112 22.799 ( 0.000 0.000 5.688) 5.688 22.924 ( 0.000 0.000 -7.893) 7.893 23.661 ( 0.000 0.000 10.342) 10.342 23.835 ( 0.000 0.000 -8.420) 8.420 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 12.517 0.000 27.365) 30.092 1.676 ( 16.231 0.000 32.753) 36.554 1.919 ( 5.707 0.000 -26.360) 26.971 2.244 ( 9.352 0.000 -28.866) 30.343 2.479 ( 17.302 0.000 35.221) 39.241 2.755 ( -1.065 0.000 1.822) 2.110 2.947 ( -10.592 0.000 15.860) 19.072 3.149 ( -19.038 0.000 9.986) 21.498 3.325 ( -13.277 0.000 -8.060) 15.532 3.377 ( -4.941 0.000 -13.782) 14.641 3.455 ( 3.146 0.000 5.993) 6.769 3.712 ( 7.734 0.000 -25.826) 26.959 3.966 ( -2.694 0.000 5.260) 5.910 4.055 ( -2.464 0.000 -3.555) 4.326 4.342 ( 3.543 0.000 4.279) 5.555 4.362 ( 6.568 0.000 2.292) 6.956 4.406 ( 8.231 0.000 -1.971) 8.463 4.439 ( 7.988 0.000 -7.729) 11.115 4.573 ( 6.644 0.000 12.510) 14.165 4.680 ( 6.829 0.000 3.449) 7.651 4.756 ( 4.293 0.000 -4.789) 6.431 4.810 ( 0.737 0.000 -11.124) 11.149 5.189 ( -3.770 0.000 4.110) 5.577 5.254 ( -4.081 0.000 -2.981) 5.054 5.364 ( -18.475 0.000 10.106) 21.058 5.585 ( -18.303 0.000 -12.543) 22.188 5.782 ( -6.956 0.000 11.295) 13.265 5.980 ( -6.017 0.000 -6.872) 9.134 6.208 ( -3.150 0.000 5.072) 5.970 6.402 ( 0.895 0.000 -13.859) 13.888 6.885 ( -0.910 0.000 5.452) 5.528 7.016 ( 9.101 0.000 -7.321) 11.681 7.091 ( 12.304 0.000 0.100) 12.304 7.114 ( 7.106 0.000 -2.835) 7.651 7.381 ( 3.286 0.000 8.545) 9.155 7.501 ( 4.737 0.000 -4.408) 6.471 7.802 ( 6.670 0.000 8.518) 10.819 7.894 ( 8.693 0.000 0.364) 8.701 8.210 ( -10.772 0.000 3.307) 11.268 8.220 ( -10.061 0.000 0.206) 10.063 8.604 ( 2.687 0.000 -0.644) 2.763 8.611 ( 0.110 0.000 0.579) 0.589 8.621 ( -0.113 0.000 -0.438) 0.453 8.646 ( 1.709 0.000 -4.800) 5.095 9.131 ( -2.647 0.000 3.117) 4.090 9.197 ( -3.399 0.000 -3.613) 4.960 9.595 ( -0.673 0.000 3.694) 3.755 9.662 ( -2.945 0.000 -3.266) 4.398 10.074 ( 6.263 0.000 4.007) 7.435 10.166 ( 4.260 0.000 -5.581) 7.021 10.407 ( -9.889 0.000 4.738) 10.965 10.523 ( -9.517 0.000 -8.568) 12.805 10.535 ( -4.523 0.000 4.200) 6.172 10.587 ( -4.732 0.000 0.780) 4.796 10.677 ( 0.600 0.000 0.466) 0.759 10.746 ( -0.716 0.000 -4.707) 4.761 11.010 ( 2.241 0.000 2.600) 3.433 11.075 ( 0.346 0.000 -4.123) 4.138 11.094 ( 0.076 0.000 9.202) 9.203 11.241 ( -3.585 0.000 -5.900) 6.904 11.632 ( 5.004 0.000 3.038) 5.854 11.683 ( 4.884 0.000 -1.870) 5.230 11.903 ( 11.285 0.000 4.352) 12.096 11.946 ( 12.279 0.000 0.123) 12.280 12.322 ( 5.121 0.000 6.689) 8.424 12.506 ( -0.723 0.000 -10.126) 10.152 13.124 ( -6.859 0.000 4.215) 8.051 13.237 ( -6.873 0.000 -8.348) 10.813 13.563 ( -0.016 0.000 7.454) 7.454 13.567 ( -0.136 0.000 7.565) 7.566 13.698 ( 0.129 0.000 -6.666) 6.668 13.705 ( -0.033 0.000 -6.753) 6.753 14.252 ( 3.575 0.000 2.045) 4.119 14.341 ( 3.343 0.000 -7.151) 7.894 15.138 ( 1.821 0.000 5.537) 5.828 15.204 ( -0.152 0.000 -1.144) 1.155 15.574 ( -2.338 0.000 7.382) 7.743 15.597 ( -4.212 0.000 3.286) 5.342 15.871 ( 3.311 0.000 -0.564) 3.358 15.963 ( -0.311 0.000 -8.077) 8.083 18.549 ( 5.114 0.000 6.009) 7.890 18.648 ( 4.671 0.000 -4.453) 6.454 19.185 ( -0.036 0.000 0.282) 0.285 19.190 ( -0.152 0.000 -0.246) 0.289 19.203 ( 0.125 0.000 0.159) 0.202 19.206 ( 0.069 0.000 -0.195) 0.206 19.623 ( -1.456 0.000 2.358) 2.771 19.680 ( -3.161 0.000 -3.696) 4.863 20.444 ( -3.448 0.000 12.483) 12.950 20.651 ( -1.441 0.000 -9.303) 9.414 20.875 ( -23.568 0.000 11.926) 26.414 21.039 ( -16.012 0.000 -5.984) 17.093 22.904 ( 8.118 0.000 6.730) 10.545 23.054 ( 6.519 0.000 -9.471) 11.498 23.772 ( 8.951 0.000 4.159) 9.870 23.887 ( 4.423 0.000 -7.513) 8.718 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 18.057 0.000 14.212) 22.979 1.997 ( -3.034 0.000 -12.576) 12.937 2.077 ( 22.828 0.000 22.204) 31.846 2.406 ( -1.311 0.000 -7.830) 7.939 2.460 ( -3.495 0.000 9.235) 9.875 2.611 ( -14.495 0.000 -5.275) 15.425 2.807 ( -6.883 0.000 0.751) 6.924 3.003 ( -17.470 0.000 -14.717) 22.842 3.220 ( 23.990 0.000 19.076) 30.650 3.385 ( 0.891 0.000 -1.784) 1.994 3.532 ( 13.085 0.000 17.974) 22.232 3.916 ( 4.035 0.000 -9.304) 10.141 3.959 ( 1.379 0.000 5.387) 5.561 4.002 ( -2.730 0.000 1.146) 2.961 4.182 ( -12.337 0.000 3.838) 12.921 4.342 ( -17.087 0.000 -6.633) 18.329 4.459 ( 3.364 0.000 -0.028) 3.365 4.492 ( 0.548 0.000 -3.097) 3.145 4.751 ( 9.175 0.000 -3.309) 9.754 4.840 ( 8.316 0.000 2.560) 8.702 4.885 ( 6.032 0.000 -2.292) 6.453 4.909 ( 3.833 0.000 -9.889) 10.606 5.097 ( -4.060 0.000 2.881) 4.979 5.144 ( -6.547 0.000 -2.219) 6.913 5.252 ( -5.409 0.000 -4.705) 7.170 5.319 ( 9.795 0.000 -5.836) 11.402 5.543 ( -11.248 0.000 9.018) 14.417 5.737 ( -17.123 0.000 -9.670) 19.665 6.293 ( 7.995 0.000 8.891) 11.957 6.421 ( -2.666 0.000 -2.871) 3.918 6.783 ( -0.587 0.000 1.565) 1.671 6.907 ( -10.174 0.000 -9.983) 14.254 7.386 ( 13.275 0.000 6.511) 14.786 7.474 ( 16.785 0.000 -1.933) 16.896 7.487 ( 4.715 0.000 7.859) 9.165 7.624 ( 4.359 0.000 -4.628) 6.358 7.880 ( 2.415 0.000 6.965) 7.372 7.938 ( -5.861 0.000 1.801) 6.131 7.984 ( -8.983 0.000 1.066) 9.046 8.030 ( -7.191 0.000 -5.146) 8.842 8.614 ( 0.181 0.000 0.276) 0.330 8.618 ( -0.183 0.000 -0.114) 0.215 8.724 ( 7.193 0.000 0.766) 7.234 8.742 ( 5.745 0.000 -0.739) 5.792 9.048 ( -3.002 0.000 -0.078) 3.003 9.104 ( -6.217 0.000 -5.701) 8.435 9.589 ( 0.252 0.000 1.581) 1.601 9.610 ( -1.993 0.000 -0.669) 2.102 10.212 ( 6.866 0.000 1.658) 7.063 10.246 ( -3.707 0.000 2.003) 4.214 10.259 ( 3.657 0.000 -3.241) 4.886 10.311 ( -9.347 0.000 -5.235) 10.713 10.437 ( -4.116 0.000 2.286) 4.708 10.470 ( -5.953 0.000 -0.809) 6.007 10.700 ( 1.316 0.000 1.248) 1.813 10.725 ( -1.257 0.000 -1.075) 1.654 11.052 ( 1.810 0.000 -0.342) 1.842 11.075 ( -0.509 0.000 -2.592) 2.642 11.141 ( 3.388 0.000 5.298) 6.288 11.197 ( -2.129 0.000 -0.271) 2.146 11.712 ( 3.556 0.000 4.721) 5.911 11.751 ( 0.596 0.000 2.850) 2.912 12.034 ( 5.235 0.000 -0.032) 5.235 12.110 ( 0.411 0.000 -4.892) 4.909 12.497 ( 9.814 0.000 0.446) 9.824 12.547 ( 4.125 0.000 -4.880) 6.390 12.993 ( -4.554 0.000 2.311) 5.107 13.053 ( -9.790 0.000 -4.194) 10.650 13.563 ( 0.045 0.000 7.389) 7.389 13.565 ( -0.137 0.000 7.424) 7.425 13.701 ( 0.155 0.000 -6.584) 6.585 13.703 ( -0.097 0.000 -6.624) 6.625 14.335 ( 3.911 0.000 0.859) 4.004 14.378 ( -0.083 0.000 -3.449) 3.450 15.172 ( 1.503 0.000 1.779) 2.329 15.195 ( -0.803 0.000 -0.405) 0.900 15.534 ( -1.145 0.000 6.257) 6.361 15.539 ( -1.554 0.000 5.908) 6.109 15.922 ( 1.900 0.000 -3.744) 4.198 15.950 ( -1.058 0.000 -5.909) 6.003 18.665 ( 5.598 0.000 5.330) 7.730 18.718 ( 0.934 0.000 0.002) 0.934 19.185 ( 0.046 0.000 0.149) 0.156 19.187 ( -0.146 0.000 -0.049) 0.154 19.205 ( 0.120 0.000 0.021) 0.122 19.207 ( -0.017 0.000 -0.121) 0.122 19.587 ( -1.524 0.000 0.001) 1.524 19.602 ( -3.385 0.000 -1.496) 3.700 20.404 ( 1.439 0.000 14.495) 14.566 20.531 ( -11.522 0.000 12.919) 17.311 20.655 ( 2.392 0.000 -10.783) 11.045 20.770 ( -9.861 0.000 -10.664) 14.525 23.042 ( 5.321 0.000 3.605) 6.427 23.103 ( -0.783 0.000 -2.704) 2.815 23.917 ( 4.926 0.000 -1.401) 5.122 23.953 ( 1.212 0.000 -4.962) 5.108 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 0.152 35.327) 35.327 1.505 ( 0.000 19.975 27.565) 34.041 2.016 ( 0.000 15.286 -25.093) 29.383 2.049 ( 0.000 -4.409 -32.577) 32.874 2.693 ( 0.000 33.596 31.118) 45.793 2.924 ( 0.000 9.923 -2.359) 10.200 3.112 ( 0.000 5.611 19.355) 20.152 3.452 ( 0.000 7.877 10.408) 13.052 3.554 ( 0.000 13.360 5.281) 14.366 3.557 ( 0.000 7.877 -18.652) 20.247 3.602 ( 0.000 12.322 0.527) 12.334 3.788 ( 0.000 14.678 -24.619) 28.662 3.978 ( 0.000 -4.543 3.034) 5.463 4.041 ( 0.000 -1.415 -4.767) 4.973 4.200 ( 0.000 -2.904 4.772) 5.587 4.224 ( 0.000 1.971 0.619) 2.066 4.429 ( 0.000 14.595 0.132) 14.595 4.471 ( 0.000 12.133 -4.940) 13.101 4.662 ( 0.000 9.083 0.485) 9.096 4.665 ( 0.000 9.209 1.074) 9.272 4.963 ( 0.000 20.008 0.255) 20.010 5.012 ( 0.000 17.313 -5.167) 18.067 5.327 ( 0.000 8.930 3.345) 9.536 5.384 ( 0.000 7.548 -2.538) 7.963 5.638 ( 0.000 0.892 10.184) 10.223 5.784 ( 0.000 9.786 9.540) 13.667 5.887 ( 0.000 0.584 -8.062) 8.084 6.043 ( 0.000 6.857 -9.653) 11.841 6.381 ( 0.000 2.667 6.363) 6.899 6.529 ( 0.000 2.414 -9.103) 9.418 6.729 ( 0.000 4.127 -1.757) 4.486 6.755 ( 0.000 2.653 -3.329) 4.256 7.029 ( 0.000 -2.788 -0.379) 2.814 7.075 ( 0.000 -3.886 -5.079) 6.395 7.319 ( 0.000 -3.721 6.218) 7.246 7.420 ( 0.000 -3.417 -4.533) 5.677 7.648 ( 0.000 -0.723 11.554) 11.577 7.757 ( 0.000 1.061 0.752) 1.301 8.269 ( 0.000 -5.513 0.963) 5.597 8.274 ( 0.000 -6.434 2.165) 6.788 8.462 ( 0.000 -8.282 1.140) 8.360 8.502 ( 0.000 -5.038 -3.049) 5.889 8.845 ( 0.000 11.823 -0.004) 11.823 8.881 ( 0.000 12.222 -3.961) 12.848 9.056 ( 0.000 -5.761 7.476) 9.439 9.150 ( 0.000 -5.274 -2.390) 5.790 9.651 ( 0.000 -1.283 1.553) 2.014 9.715 ( 0.000 -4.499 -5.133) 6.826 9.985 ( 0.000 9.518 1.817) 9.690 10.047 ( 0.000 2.891 -4.735) 5.548 10.464 ( 0.000 -8.025 6.231) 10.160 10.542 ( 0.000 -3.743 -1.184) 3.926 10.702 ( 0.000 2.919 -1.583) 3.321 10.732 ( 0.000 3.215 -2.333) 3.973 10.816 ( 0.000 14.033 10.617) 17.597 10.906 ( 0.000 -4.689 3.703) 5.975 10.993 ( 0.000 -6.107 -5.369) 8.131 11.088 ( 0.000 25.472 -18.289) 31.357 11.285 ( 0.000 11.739 7.342) 13.846 11.421 ( 0.000 7.908 -6.974) 10.544 11.540 ( 0.000 -0.902 4.047) 4.146 11.608 ( 0.000 -2.337 -3.437) 4.156 11.751 ( 0.000 1.794 4.722) 5.052 11.844 ( 0.000 2.354 -5.355) 5.849 12.179 ( 0.000 -12.841 12.704) 18.063 12.361 ( 0.000 -15.593 -5.738) 16.615 12.860 ( 0.000 -24.401 7.080) 25.407 13.022 ( 0.000 -21.052 -11.537) 24.006 13.229 ( 0.000 -19.871 7.257) 21.155 13.411 ( 0.000 -11.031 -12.595) 16.743 13.729 ( 0.000 7.299 5.300) 9.020 13.838 ( 0.000 6.407 -6.251) 8.951 14.491 ( 0.000 17.082 2.607) 17.280 14.587 ( 0.000 19.920 -7.406) 21.252 15.371 ( 0.000 13.607 5.836) 14.806 15.441 ( 0.000 19.402 0.080) 19.403 15.609 ( 0.000 2.544 8.349) 8.728 15.636 ( 0.000 -1.251 1.183) 1.722 15.930 ( 0.000 14.167 -7.343) 15.957 15.970 ( 0.000 1.112 -7.394) 7.477 18.307 ( 0.000 -18.722 -0.332) 18.725 18.307 ( 0.000 -23.779 -0.294) 23.781 18.623 ( 0.000 -38.021 0.517) 38.024 18.638 ( 0.000 -37.283 -1.200) 37.302 19.145 ( 0.000 -3.340 9.735) 10.292 19.307 ( 0.000 6.852 -7.592) 10.227 20.122 ( 0.000 27.808 1.606) 27.855 20.152 ( 0.000 24.416 -1.227) 24.447 20.614 ( 0.000 10.826 7.515) 13.178 20.754 ( 0.000 7.029 -7.676) 10.408 21.150 ( 0.000 -7.327 6.054) 9.504 21.192 ( 0.000 -0.393 0.401) 0.562 22.775 ( 0.000 -1.929 5.126) 5.477 22.890 ( 0.000 -3.124 -7.444) 8.073 23.580 ( 0.000 -8.082 9.215) 12.258 23.726 ( 0.000 -10.253 -6.418) 12.096 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 13.042 7.846 26.435) 30.503 1.702 ( 17.368 10.743 26.267) 33.272 2.017 ( 4.153 8.391 -24.015) 25.776 2.238 ( 14.010 3.808 -27.825) 31.385 2.734 ( -7.344 13.335 13.190) 20.143 2.868 ( -2.197 10.027 -0.209) 10.267 3.073 ( 2.369 17.958 27.782) 33.165 3.262 ( -20.643 9.998 9.570) 24.853 3.431 ( -11.103 9.445 -8.939) 17.099 3.470 ( -6.397 7.246 -5.635) 11.188 3.517 ( 2.318 8.570 7.664) 11.728 3.862 ( 6.844 14.504 -20.887) 26.334 3.935 ( -1.512 -1.030 6.651) 6.898 4.055 ( 1.007 2.308 -8.559) 8.922 4.338 ( 7.795 1.596 4.143) 8.971 4.392 ( 9.770 3.181 -1.185) 10.343 4.561 ( 10.763 9.793 2.352) 14.741 4.574 ( 3.235 8.304 3.090) 9.432 4.668 ( 5.130 14.803 -3.068) 15.964 4.728 ( 8.372 8.569 -3.630) 12.518 4.948 ( 0.730 18.260 1.207) 18.315 5.024 ( -0.079 18.226 -6.117) 19.225 5.287 ( -3.873 9.161 3.316) 10.484 5.339 ( -4.764 7.472 -1.274) 8.953 5.434 ( -15.105 6.703 7.480) 18.139 5.628 ( -16.571 4.284 -11.020) 20.357 5.840 ( -4.666 7.292 10.578) 13.669 6.037 ( -6.827 7.165 -7.809) 12.606 6.232 ( -3.438 2.505 4.519) 6.206 6.407 ( -1.973 0.952 -11.827) 12.028 6.837 ( -0.987 -3.838 6.406) 7.533 6.987 ( 5.634 -2.974 -8.500) 10.623 7.115 ( 14.792 2.803 -0.814) 15.078 7.124 ( 10.080 2.037 -2.017) 10.480 7.367 ( 5.229 -0.642 7.502) 9.167 7.477 ( 6.174 -1.811 -4.214) 7.691 7.754 ( 6.563 -3.944 8.910) 11.748 7.842 ( 6.695 -2.650 1.176) 7.296 8.154 ( -10.731 -5.639 2.487) 12.375 8.166 ( -9.140 -4.946 -0.735) 10.418 8.407 ( -3.408 -8.845 1.324) 9.571 8.458 ( -3.559 -7.054 -3.996) 8.854 8.867 ( 2.257 9.888 0.365) 10.149 8.893 ( 2.129 11.811 -2.134) 12.190 9.064 ( -1.491 -4.527 4.645) 6.656 9.156 ( 0.347 -0.961 -4.691) 4.801 9.651 ( -0.022 0.055 1.895) 1.896 9.699 ( -1.477 -0.551 -3.107) 3.484 10.034 ( 4.486 5.222 1.279) 7.003 10.092 ( 4.846 2.036 -4.889) 7.178 10.451 ( -1.046 -4.628 5.054) 6.933 10.514 ( -2.406 -2.768 -1.302) 3.892 10.625 ( -9.271 8.656 6.956) 14.466 10.716 ( -2.717 -0.320 -2.050) 3.419 10.744 ( -3.759 7.484 2.250) 8.672 10.891 ( -10.643 15.082 -10.928) 21.451 10.963 ( 3.850 -2.818 2.666) 5.465 11.050 ( -0.081 4.967 -6.696) 8.338 11.205 ( -3.584 8.172 6.288) 10.917 11.316 ( -4.966 5.554 -4.771) 8.847 11.632 ( 4.402 -0.298 2.300) 4.975 11.683 ( 5.659 -0.469 -2.827) 6.343 11.913 ( 9.008 -1.012 5.565) 10.637 11.961 ( 10.249 -1.355 -0.044) 10.338 12.202 ( 4.256 -13.283 7.183) 15.689 12.363 ( 0.872 -13.946 -6.944) 15.603 12.788 ( -6.340 -23.816 6.210) 25.416 12.931 ( -7.916 -22.190 -8.977) 25.211 13.316 ( 5.744 -15.303 2.568) 16.546 13.434 ( 2.382 -11.888 -9.286) 15.272 13.712 ( -1.211 5.547 5.201) 7.700 13.824 ( -1.482 5.676 -6.545) 8.789 14.510 ( 1.721 17.337 2.260) 17.569 14.586 ( -0.144 19.179 -5.537) 19.962 15.391 ( 1.896 13.898 5.232) 14.971 15.451 ( 0.830 19.299 0.370) 19.321 15.570 ( -3.048 0.316 6.630) 7.304 15.602 ( -3.320 4.940 1.822) 6.224 15.926 ( -0.092 7.688 -5.010) 9.177 15.966 ( -0.665 0.867 -6.547) 6.638 18.339 ( 3.187 -20.530 0.080) 20.776 18.353 ( 3.742 -23.860 -1.317) 24.188 18.617 ( -0.573 -37.965 0.269) 37.970 18.628 ( -0.927 -37.333 -1.028) 37.358 19.169 ( 2.483 -1.937 9.873) 10.363 19.317 ( 0.707 6.915 -5.500) 8.864 20.122 ( -0.163 29.037 1.395) 29.071 20.155 ( -0.207 27.105 -2.011) 27.180 20.522 ( -8.879 4.270 12.685) 16.061 20.714 ( -4.446 3.182 -8.993) 10.525 20.888 ( -15.421 5.669 11.357) 19.973 21.048 ( -12.468 2.739 -6.095) 14.146 22.868 ( 7.491 -3.252 6.135) 10.215 23.003 ( 6.200 -4.786 -8.386) 11.475 23.673 ( 7.973 -9.640 4.568) 13.317 23.773 ( 4.011 -10.774 -5.478) 12.735 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 18.249 11.332 13.402) 25.320 2.054 ( 8.397 6.209 2.770) 10.804 2.149 ( 12.058 8.722 5.912) 16.013 2.405 ( -9.498 4.156 -0.743) 10.395 2.602 ( 10.573 8.547 -5.050) 14.503 2.703 ( -9.249 7.754 -7.230) 14.070 2.823 ( -16.216 3.275 3.483) 16.906 3.008 ( -18.549 3.636 -11.771) 22.267 3.408 ( 6.936 11.598 6.665) 15.068 3.468 ( 0.367 7.275 0.057) 7.285 3.695 ( 22.410 20.151 24.865) 39.071 3.922 ( 0.562 0.514 6.588) 6.631 3.953 ( 0.443 1.503 0.806) 1.763 4.122 ( -0.686 14.255 -9.459) 17.121 4.338 ( -5.118 12.856 0.915) 13.868 4.441 ( -5.730 9.552 -4.508) 12.017 4.593 ( 1.202 10.456 3.150) 10.986 4.626 ( -3.657 10.641 4.960) 12.297 4.823 ( 4.850 7.522 -2.001) 9.171 4.930 ( 2.896 5.565 -2.041) 6.597 4.987 ( 6.145 11.954 -2.555) 13.681 5.019 ( 9.095 15.226 -8.136) 19.513 5.199 ( -7.383 7.659 -0.868) 10.673 5.215 ( -6.235 9.707 -0.516) 11.549 5.364 ( -2.582 10.526 -4.747) 11.832 5.440 ( 12.920 10.989 -7.568) 18.573 5.602 ( -14.437 7.648 8.426) 18.382 5.793 ( -16.817 6.713 -9.952) 20.662 6.295 ( 6.670 0.532 7.589) 10.117 6.400 ( -2.432 -1.560 -1.851) 3.432 6.800 ( 1.435 1.940 0.568) 2.479 6.913 ( -7.956 0.719 -10.014) 12.810 7.392 ( 12.494 0.894 6.223) 13.986 7.466 ( 15.529 -0.899 -1.055) 15.590 7.485 ( 5.114 0.306 8.104) 9.588 7.619 ( 4.720 -0.168 -4.293) 6.382 7.821 ( 1.041 -5.685 6.396) 8.621 7.895 ( -4.213 -3.796 0.402) 5.685 7.935 ( -7.941 -4.675 1.552) 9.344 7.976 ( -7.867 -4.938 -5.252) 10.671 8.383 ( 0.805 -12.228 0.394) 12.260 8.406 ( -1.416 -11.485 -1.951) 11.735 8.919 ( 3.186 4.142 2.623) 5.847 8.990 ( 7.119 12.555 -2.955) 14.732 8.996 ( -4.295 -2.035 3.563) 5.940 9.120 ( -4.652 5.359 -7.592) 10.392 9.652 ( 0.309 2.961 1.255) 3.230 9.669 ( -1.371 3.267 -0.500) 3.578 10.145 ( 6.806 0.088 3.138) 7.495 10.216 ( 4.805 0.614 -3.052) 5.726 10.419 ( -6.502 11.527 4.299) 13.915 10.437 ( -0.374 0.213 3.308) 3.335 10.467 ( -1.874 1.902 -0.631) 2.744 10.551 ( -11.960 11.963 -8.031) 18.726 10.716 ( 0.146 2.608 0.559) 2.672 10.744 ( -3.140 3.834 -2.507) 5.554 11.035 ( 2.629 -0.614 0.670) 2.782 11.060 ( 0.068 -0.064 -1.552) 1.555 11.188 ( 1.501 3.845 3.709) 5.549 11.240 ( -3.294 3.267 -1.300) 4.818 11.709 ( 3.558 -0.467 4.766) 5.966 11.752 ( 0.232 -0.543 2.711) 2.775 12.014 ( 4.292 -4.323 0.545) 6.116 12.080 ( -0.542 -6.754 -3.728) 7.733 12.392 ( 12.115 -10.254 1.705) 15.964 12.437 ( 6.377 -10.837 -2.440) 12.809 12.651 ( -6.231 -25.329 2.313) 26.187 12.734 ( -11.508 -22.630 -6.301) 26.158 13.407 ( 3.900 -11.071 2.782) 12.063 13.462 ( -0.878 -9.777 -1.810) 9.982 13.717 ( 2.243 2.235 -0.778) 3.261 13.778 ( -3.144 3.382 -6.044) 7.607 14.547 ( 1.896 17.527 1.006) 17.658 14.576 ( -0.965 17.928 -1.855) 18.049 15.434 ( 2.161 15.149 3.033) 15.600 15.462 ( -0.215 18.106 0.560) 18.116 15.522 ( -1.205 1.384 5.510) 5.807 15.537 ( -2.535 7.579 3.506) 8.727 15.931 ( 0.531 1.364 -3.992) 4.252 15.947 ( -1.060 -0.124 -4.951) 5.065 18.406 ( 2.753 -22.842 -0.154) 23.008 18.417 ( 1.871 -24.481 -1.362) 24.591 18.604 ( -0.548 -37.958 -0.281) 37.963 18.607 ( -0.946 -37.696 -0.635) 37.713 19.239 ( 4.267 1.663 8.792) 9.913 19.309 ( -2.133 5.447 2.119) 6.222 20.107 ( -1.169 31.075 0.040) 31.097 20.117 ( -2.606 31.086 -0.936) 31.209 20.416 ( 1.036 -1.994 10.186) 10.431 20.537 ( -10.210 -2.388 -0.256) 10.489 20.769 ( 0.631 13.211 -1.163) 13.277 20.846 ( -7.154 9.542 -6.877) 13.767 22.998 ( 5.050 -4.246 3.290) 7.373 23.055 ( -0.524 -4.746 -2.560) 5.418 23.808 ( 4.570 -10.727 -0.841) 11.690 23.837 ( 1.494 -11.165 -3.526) 11.803 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 24.302 16.600) 29.430 1.964 ( 0.000 23.194 5.239) 23.778 2.136 ( 0.000 16.825 -11.448) 20.351 2.411 ( 0.000 24.239 -20.253) 31.586 3.073 ( 0.000 9.404 1.859) 9.586 3.086 ( 0.000 7.804 -0.049) 7.804 3.522 ( 0.000 24.865 16.666) 29.934 3.731 ( 0.000 10.264 -8.568) 13.370 3.739 ( 0.000 24.502 23.284) 33.801 3.815 ( 0.000 8.489 7.842) 11.557 3.886 ( 0.000 14.266 1.105) 14.309 3.940 ( 0.000 5.527 2.002) 5.878 3.994 ( 0.000 -0.194 -10.111) 10.113 4.179 ( 0.000 19.022 -12.756) 22.903 4.221 ( 0.000 6.368 10.761) 12.504 4.301 ( 0.000 5.648 1.496) 5.843 4.664 ( 0.000 9.702 -3.952) 10.476 4.767 ( 0.000 19.188 -15.657) 24.766 4.973 ( 0.000 20.489 3.031) 20.712 4.979 ( 0.000 20.595 1.857) 20.678 5.353 ( 0.000 13.719 -0.701) 13.737 5.374 ( 0.000 17.207 -3.081) 17.481 5.523 ( 0.000 6.751 0.462) 6.766 5.526 ( 0.000 13.117 1.040) 13.158 5.727 ( 0.000 10.442 7.995) 13.151 5.925 ( 0.000 4.226 -12.556) 13.248 6.110 ( 0.000 22.617 7.818) 23.930 6.259 ( 0.000 14.411 -5.438) 15.403 6.465 ( 0.000 5.782 8.859) 10.578 6.611 ( 0.000 7.627 -8.023) 11.069 6.814 ( 0.000 4.265 -4.219) 5.999 6.842 ( 0.000 6.253 -5.535) 8.351 7.007 ( 0.000 2.354 -0.711) 2.459 7.038 ( 0.000 0.719 -5.041) 5.092 7.320 ( 0.000 3.323 4.614) 5.686 7.395 ( 0.000 0.818 -2.459) 2.591 7.642 ( 0.000 0.550 11.635) 11.648 7.818 ( 0.000 4.347 -5.246) 6.813 8.116 ( 0.000 -9.919 0.822) 9.953 8.125 ( 0.000 -8.160 1.640) 8.323 8.328 ( 0.000 -3.739 5.258) 6.451 8.422 ( 0.000 -3.021 -4.640) 5.537 8.853 ( 0.000 -7.904 3.584) 8.678 8.880 ( 0.000 -8.502 0.072) 8.502 9.137 ( 0.000 10.372 3.490) 10.944 9.202 ( 0.000 7.139 -3.066) 7.769 9.582 ( 0.000 -5.642 -0.997) 5.730 9.618 ( 0.000 -0.160 -4.503) 4.506 10.056 ( 0.000 -5.973 3.091) 6.725 10.117 ( 0.000 -1.524 -2.897) 3.273 10.460 ( 0.000 5.358 7.810) 9.471 10.601 ( 0.000 4.412 -6.572) 7.916 10.728 ( 0.000 -0.401 0.269) 0.482 10.737 ( 0.000 -1.735 0.948) 1.977 10.829 ( 0.000 -6.572 -1.571) 6.757 10.843 ( 0.000 3.306 -3.741) 4.992 11.062 ( 0.000 3.976 15.450) 15.953 11.335 ( 0.000 -5.240 -13.060) 14.072 11.390 ( 0.000 -11.668 5.406) 12.859 11.460 ( 0.000 -13.284 -1.928) 13.423 11.548 ( 0.000 8.676 2.143) 8.937 11.621 ( 0.000 11.828 -5.660) 13.112 11.719 ( 0.000 -8.110 1.827) 8.313 11.742 ( 0.000 -7.284 -1.029) 7.356 11.880 ( 0.000 -7.544 14.540) 16.380 12.077 ( 0.000 -9.393 -2.962) 9.848 12.458 ( 0.000 -13.748 8.652) 16.244 12.705 ( 0.000 -9.542 -21.379) 23.412 13.039 ( 0.000 -0.770 13.566) 13.588 13.394 ( 0.000 5.544 -24.175) 24.802 13.793 ( 0.000 0.239 3.950) 3.957 13.882 ( 0.000 -1.018 -5.601) 5.693 14.812 ( 0.000 15.354 3.160) 15.676 14.916 ( 0.000 12.707 -7.697) 14.856 15.413 ( 0.000 -4.049 6.610) 7.752 15.526 ( 0.000 -4.550 -5.283) 6.973 15.705 ( 0.000 5.177 10.236) 11.471 15.823 ( 0.000 9.263 -0.454) 9.274 16.086 ( 0.000 13.689 5.897) 14.905 16.335 ( 0.000 21.554 -20.831) 29.975 17.808 ( 0.000 -26.041 0.699) 26.051 17.826 ( 0.000 -29.556 -1.319) 29.585 17.893 ( 0.000 -36.123 0.648) 36.129 17.928 ( 0.000 -34.481 -3.617) 34.670 19.103 ( 0.000 -0.947 17.356) 17.382 19.395 ( 0.000 2.319 -13.959) 14.150 20.335 ( 0.000 -7.284 14.911) 16.595 20.471 ( 0.000 4.831 -2.869) 5.618 20.838 ( 0.000 13.114 3.904) 13.683 20.911 ( 0.000 10.501 -3.584) 11.096 21.176 ( 0.000 10.718 5.196) 11.911 21.256 ( 0.000 7.544 -3.197) 8.193 22.743 ( 0.000 -1.259 2.976) 3.231 22.820 ( 0.000 -3.723 -5.453) 6.603 23.367 ( 0.000 -13.212 6.963) 14.934 23.473 ( 0.000 -15.138 -4.421) 15.770 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 14.162 21.471 15.692) 30.130 2.060 ( 9.059 21.517 6.734) 24.298 2.228 ( 8.746 16.416 -11.054) 21.637 2.484 ( 7.091 19.466 -20.669) 29.265 2.940 ( -12.148 11.457 5.467) 17.570 3.035 ( -6.577 8.555 -4.096) 11.542 3.411 ( -23.678 8.088 8.988) 26.586 3.532 ( -10.041 13.860 2.855) 17.352 3.606 ( -8.071 9.235 -3.410) 12.730 3.642 ( -3.452 13.357 -0.496) 13.804 3.915 ( 10.020 25.136 16.245) 31.561 3.982 ( 1.856 12.571 12.465) 17.800 4.034 ( -0.282 4.829 -1.182) 4.979 4.341 ( 10.878 20.829 -12.123) 26.441 4.406 ( 12.114 6.044 3.866) 14.080 4.467 ( 13.312 5.032 -1.461) 14.306 4.733 ( 5.346 9.309 0.651) 10.755 4.802 ( 0.602 14.773 -4.208) 15.373 4.991 ( 1.140 17.915 2.508) 18.125 5.056 ( 8.882 20.469 -4.925) 22.849 5.336 ( -0.497 16.854 1.437) 16.923 5.396 ( 3.935 13.721 -4.803) 15.061 5.497 ( -1.543 10.628 3.438) 11.276 5.550 ( -1.775 17.648 -2.067) 17.857 5.600 ( -10.651 13.208 4.129) 17.463 5.757 ( -13.335 9.783 -9.883) 19.267 6.119 ( -2.010 21.015 7.546) 22.419 6.294 ( -2.848 16.888 -10.083) 19.875 6.306 ( -7.472 7.179 7.047) 12.531 6.460 ( -8.840 5.217 -8.026) 13.030 6.794 ( 1.975 0.637 2.295) 3.094 6.925 ( 2.413 -2.302 -9.952) 10.496 7.187 ( 14.221 4.269 -0.555) 14.859 7.197 ( 13.018 4.383 -1.745) 13.846 7.389 ( 5.106 3.437 5.258) 8.095 7.456 ( 6.902 -0.002 -1.823) 7.139 7.686 ( 3.015 -2.190 9.650) 10.345 7.833 ( 0.839 1.418 -3.089) 3.501 8.001 ( -8.802 -9.782 1.662) 13.264 8.050 ( -8.001 -6.067 -1.796) 10.200 8.264 ( -5.223 -5.091 4.471) 8.555 8.344 ( -7.124 -4.529 -4.265) 9.458 8.860 ( 0.930 -6.378 3.203) 7.197 8.900 ( 0.910 -6.757 -0.924) 6.881 9.172 ( 3.083 10.398 3.092) 11.278 9.246 ( 3.634 7.035 -4.181) 8.954 9.595 ( 1.931 -3.309 1.544) 4.130 9.655 ( 2.480 -1.098 -3.909) 4.757 10.088 ( 2.646 -4.754 1.389) 5.615 10.116 ( 0.927 -3.318 -1.402) 3.719 10.480 ( 1.653 5.802 7.482) 9.611 10.577 ( -2.066 1.827 -2.247) 3.558 10.680 ( -3.363 0.755 -2.311) 4.150 10.694 ( -5.587 -1.242 -3.733) 6.833 10.813 ( 1.261 -1.277 5.115) 5.421 10.873 ( 1.146 2.023 0.742) 2.440 11.104 ( 2.328 7.725 4.911) 9.445 11.245 ( -7.898 1.956 -4.073) 9.099 11.305 ( -6.171 -2.448 -0.278) 6.645 11.373 ( -5.720 -3.246 -4.096) 7.748 11.603 ( 2.339 -7.529 2.506) 8.273 11.627 ( 0.866 -6.210 0.145) 6.272 11.718 ( 0.211 -11.676 4.074) 12.368 11.764 ( 2.045 -11.666 -0.676) 11.863 11.976 ( 7.833 -6.312 6.012) 11.719 12.116 ( 4.035 -5.833 -4.449) 8.373 12.444 ( -2.057 -9.587 8.610) 13.049 12.614 ( -6.646 -7.665 -9.993) 14.240 13.145 ( 7.622 -2.692 3.256) 8.714 13.384 ( -0.461 4.102 -20.271) 20.687 13.751 ( -3.315 -0.630 4.447) 5.583 13.859 ( -2.485 -1.165 -6.984) 7.504 14.839 ( 2.474 15.540 2.910) 16.002 14.925 ( 0.610 13.726 -5.932) 14.965 15.412 ( -0.039 -4.586 5.579) 7.222 15.489 ( -2.841 -4.334 -1.711) 5.457 15.761 ( 4.771 5.941 6.044) 9.726 15.842 ( 2.258 10.720 -0.160) 10.957 16.054 ( -3.147 12.774 4.680) 13.963 16.247 ( -7.977 20.428 -15.226) 26.698 17.832 ( 1.717 -29.501 -0.121) 29.551 17.841 ( 1.586 -29.924 -1.532) 30.005 17.894 ( 0.100 -34.562 0.366) 34.564 17.926 ( -0.291 -33.222 -3.491) 33.406 19.143 ( 3.918 -0.776 17.124) 17.583 19.399 ( -0.126 1.744 -9.194) 9.359 20.312 ( -2.204 -9.760 14.947) 17.987 20.475 ( -0.148 1.658 -4.056) 4.385 20.738 ( -7.237 18.434 2.350) 19.943 20.807 ( -9.600 12.289 -4.328) 16.184 21.129 ( -3.151 15.588 3.655) 16.318 21.198 ( -4.768 11.404 -3.543) 12.859 22.799 ( 5.033 -3.517 4.269) 7.478 22.893 ( 4.516 -5.994 -5.921) 9.559 23.430 ( 5.659 -14.585 4.758) 16.352 23.510 ( 3.146 -15.609 -3.719) 16.352 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 20.103 18.817 10.955) 29.635 2.273 ( 10.754 16.690 6.572) 20.914 2.407 ( 5.895 16.981 -1.908) 18.076 2.585 ( -9.717 13.897 -3.864) 17.392 2.732 ( 3.903 6.688 -5.908) 9.740 2.871 ( -7.065 9.949 -10.112) 15.847 2.985 ( -14.134 12.213 5.023) 19.343 3.138 ( -20.308 8.479 -11.222) 24.704 3.626 ( 2.309 12.544 3.659) 13.269 3.649 ( 0.643 11.667 1.551) 11.787 3.964 ( 0.496 3.888 4.513) 5.977 3.998 ( -2.514 4.151 1.334) 5.033 4.264 ( 20.326 32.609 18.887) 42.816 4.520 ( 2.202 22.901 -3.566) 23.281 4.588 ( 5.635 10.923 0.158) 12.292 4.643 ( 2.303 10.076 -1.389) 10.429 4.778 ( 0.340 7.736 4.823) 9.123 4.815 ( 0.557 9.526 5.563) 11.045 5.022 ( 1.478 12.185 3.402) 12.737 5.109 ( -6.190 14.801 1.299) 16.095 5.341 ( -3.526 21.027 0.303) 21.323 5.374 ( -2.868 14.672 -4.532) 15.621 5.442 ( 0.378 12.186 -1.180) 12.249 5.459 ( -0.567 19.916 -4.284) 20.379 5.634 ( 4.861 18.041 -6.430) 19.760 5.687 ( 14.902 16.250 -7.850) 23.404 5.902 ( -15.830 21.249 0.886) 26.512 6.030 ( -17.027 17.167 -9.282) 25.899 6.340 ( 3.970 5.333 3.996) 7.757 6.400 ( -1.514 3.203 -1.316) 3.779 6.857 ( 4.045 3.505 -1.329) 5.515 6.930 ( -2.310 0.592 -8.157) 8.498 7.436 ( 9.818 3.264 3.784) 11.017 7.462 ( 12.070 0.791 0.565) 12.109 7.494 ( 5.008 1.054 10.093) 11.316 7.632 ( 5.095 1.772 -3.586) 6.477 7.679 ( -0.602 -8.093 5.944) 10.059 7.820 ( -2.046 -3.845 1.670) 4.665 7.834 ( -7.372 -5.158 -5.693) 10.647 7.874 ( -8.655 -2.930 -1.682) 9.291 8.183 ( -1.759 -8.410 0.421) 8.603 8.211 ( -4.704 -8.632 -2.880) 10.243 8.880 ( 1.080 -4.709 1.770) 5.145 8.900 ( -0.788 -5.117 -0.134) 5.179 9.241 ( 3.570 10.469 0.043) 11.061 9.287 ( -0.352 8.760 -4.617) 9.908 9.649 ( 2.665 -1.754 1.987) 3.758 9.678 ( -0.275 -1.515 -1.039) 1.857 10.136 ( 4.003 -4.194 3.717) 6.887 10.182 ( 2.229 -5.305 -0.365) 5.766 10.488 ( -0.797 2.597 7.882) 8.337 10.531 ( -2.882 3.263 4.506) 6.266 10.603 ( -1.531 -3.025 -5.144) 6.161 10.622 ( -2.204 6.547 -4.590) 8.294 10.837 ( 1.459 7.456 2.208) 7.912 10.877 ( -1.497 5.986 -2.060) 6.505 11.098 ( -2.232 3.211 1.200) 4.091 11.111 ( -3.786 8.107 -1.029) 9.007 11.238 ( 0.253 -0.395 0.350) 0.585 11.281 ( -3.574 -0.367 -2.910) 4.623 11.631 ( 0.905 -15.700 3.179) 16.044 11.639 ( 0.199 -11.786 2.052) 11.965 11.747 ( 1.850 -19.041 3.276) 19.409 11.775 ( -0.729 -17.319 0.672) 17.348 12.136 ( 7.648 -10.121 1.747) 12.806 12.212 ( 2.923 -6.345 -4.408) 8.260 12.384 ( -1.058 -1.827 3.922) 4.455 12.481 ( -7.255 -2.395 -5.826) 9.608 13.277 ( 5.926 -2.499 -0.085) 6.432 13.368 ( -2.549 -0.203 -8.329) 8.713 13.719 ( 1.256 -1.406 -1.229) 2.250 13.787 ( -4.452 -1.547 -7.386) 8.762 14.892 ( 2.545 15.883 1.601) 16.165 14.926 ( -0.776 15.412 -1.831) 15.540 15.415 ( 0.471 -5.014 3.211) 5.973 15.439 ( -2.048 -4.619 1.004) 5.152 15.867 ( 5.662 8.386 2.683) 10.468 15.922 ( 5.988 13.934 -1.039) 15.202 15.972 ( -4.989 10.433 2.643) 11.863 16.072 ( -8.950 17.225 -6.375) 20.432 17.859 ( 1.082 -35.058 -0.168) 35.075 17.868 ( 0.434 -35.996 -1.154) 36.018 17.901 ( 0.790 -28.083 -1.506) 28.134 17.917 ( -0.637 -29.647 -3.099) 29.816 19.247 ( 6.320 -0.460 14.675) 15.984 19.360 ( -4.296 0.293 4.628) 6.321 20.297 ( 2.512 -9.007 4.275) 10.281 20.413 ( -7.009 -8.038 -6.660) 12.573 20.647 ( -1.972 22.914 -0.313) 23.001 20.652 ( -3.379 22.669 -0.865) 22.936 21.088 ( -0.619 17.339 0.949) 17.375 21.114 ( -3.185 15.647 -1.741) 16.062 22.894 ( 3.914 -6.041 2.420) 7.594 22.936 ( -0.186 -6.979 -2.021) 7.268 23.536 ( 3.919 -16.258 0.527) 16.732 23.561 ( 1.225 -16.349 -1.999) 16.516 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 32.231 3.591) 32.430 2.390 ( 0.000 24.171 -12.449) 27.189 2.646 ( 0.000 29.782 11.824) 32.044 2.909 ( 0.000 25.580 -15.097) 29.702 3.255 ( 0.000 9.572 0.998) 9.624 3.272 ( 0.000 11.541 -1.035) 11.587 3.806 ( 0.000 -1.177 5.750) 5.869 3.885 ( 0.000 16.669 6.833) 18.015 3.899 ( 0.000 3.020 -6.083) 6.791 4.004 ( 0.000 8.374 -1.489) 8.505 4.069 ( 0.000 8.899 5.682) 10.558 4.185 ( 0.000 13.302 -9.053) 16.090 4.345 ( 0.000 15.776 7.593) 17.508 4.426 ( 0.000 6.897 1.064) 6.978 4.459 ( 0.000 10.073 4.348) 10.972 4.492 ( 0.000 23.938 11.575) 26.590 4.879 ( 0.000 15.278 6.383) 16.557 5.133 ( 0.000 12.927 -8.287) 15.355 5.307 ( 0.000 10.808 7.557) 13.188 5.388 ( 0.000 20.783 1.079) 20.811 5.459 ( 0.000 3.459 0.608) 3.512 5.587 ( 0.000 8.010 -16.360) 18.216 5.757 ( 0.000 18.412 4.673) 18.996 5.864 ( 0.000 15.072 -0.002) 15.072 5.956 ( 0.000 12.663 -6.177) 14.089 6.002 ( 0.000 1.588 -7.079) 7.255 6.563 ( 0.000 2.822 9.317) 9.735 6.596 ( 0.000 25.417 3.646) 25.677 6.602 ( 0.000 22.150 3.987) 22.506 6.797 ( 0.000 4.879 -15.974) 16.702 6.984 ( 0.000 15.978 -5.297) 16.833 7.014 ( 0.000 15.851 -8.531) 18.001 7.137 ( 0.000 9.552 1.345) 9.647 7.157 ( 0.000 11.752 -1.491) 11.846 7.386 ( 0.000 -2.665 5.517) 6.127 7.411 ( 0.000 5.064 2.561) 5.675 7.680 ( 0.000 1.685 0.926) 1.922 7.759 ( 0.000 -11.962 -6.817) 13.768 8.028 ( 0.000 1.253 5.814) 5.948 8.078 ( 0.000 8.581 0.763) 8.614 8.318 ( 0.000 1.762 3.851) 4.235 8.371 ( 0.000 -3.211 -1.557) 3.568 8.707 ( 0.000 -7.820 1.338) 7.934 8.716 ( 0.000 -4.572 0.940) 4.668 9.275 ( 0.000 3.656 0.940) 3.775 9.304 ( 0.000 3.620 -2.163) 4.217 9.560 ( 0.000 3.278 4.400) 5.487 9.655 ( 0.000 3.340 -5.564) 6.490 9.894 ( 0.000 -11.057 6.429) 12.790 10.020 ( 0.000 -7.966 -6.222) 10.108 10.345 ( 0.000 -21.414 1.068) 21.441 10.365 ( 0.000 -14.963 -0.398) 14.968 10.632 ( 0.000 -12.635 3.434) 13.093 10.700 ( 0.000 -21.351 -2.414) 21.487 10.713 ( 0.000 -10.937 8.588) 13.906 10.881 ( 0.000 -1.550 -11.158) 11.266 10.971 ( 0.000 -2.460 8.188) 8.550 11.048 ( 0.000 -8.526 -1.414) 8.643 11.116 ( 0.000 -11.886 8.888) 14.842 11.298 ( 0.000 1.077 -10.521) 10.576 11.539 ( 0.000 3.298 16.905) 17.224 11.721 ( 0.000 2.071 -3.636) 4.184 11.843 ( 0.000 -0.352 9.476) 9.482 11.886 ( 0.000 14.589 -0.327) 14.592 11.890 ( 0.000 14.676 -1.035) 14.712 12.034 ( 0.000 4.039 -4.790) 6.266 12.354 ( 0.000 1.938 8.073) 8.303 12.593 ( 0.000 -3.198 -21.159) 21.399 13.097 ( 0.000 4.846 15.951) 16.671 13.505 ( 0.000 4.322 -26.365) 26.717 13.775 ( 0.000 -1.456 2.578) 2.961 13.832 ( 0.000 -3.438 -3.620) 4.993 15.039 ( 0.000 -0.473 -1.675) 1.741 15.057 ( 0.000 9.284 -3.820) 10.039 15.309 ( 0.000 -5.919 4.292) 7.312 15.432 ( 0.000 -4.862 -7.819) 9.208 15.793 ( 0.000 3.080 7.791) 8.377 15.907 ( 0.000 1.677 -4.315) 4.629 16.369 ( 0.000 10.919 11.199) 15.641 16.627 ( 0.000 5.440 -17.491) 18.318 17.208 ( 0.000 -29.917 -0.397) 29.919 17.222 ( 0.000 -30.109 -1.320) 30.138 17.362 ( 0.000 -23.153 1.191) 23.183 17.383 ( 0.000 -17.980 -1.045) 18.011 19.102 ( 0.000 0.710 17.313) 17.328 19.411 ( 0.000 -0.282 -15.603) 15.606 20.079 ( 0.000 -15.132 24.423) 28.730 20.374 ( 0.000 -10.933 -9.221) 14.303 21.065 ( 0.000 9.246 2.861) 9.679 21.126 ( 0.000 9.458 -3.500) 10.085 21.430 ( 0.000 12.875 0.140) 12.876 21.435 ( 0.000 9.440 -0.504) 9.453 22.722 ( 0.000 -1.048 0.996) 1.445 22.753 ( 0.000 -3.182 -2.516) 4.056 23.090 ( 0.000 -14.778 4.581) 15.472 23.160 ( 0.000 -16.627 -2.988) 16.893 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 8.265 29.014 5.722) 30.706 2.480 ( 8.681 23.157 -10.583) 26.900 2.674 ( 3.176 26.307 8.476) 27.821 2.901 ( -1.114 21.546 -13.823) 25.623 3.203 ( -7.072 14.891 0.628) 16.497 3.219 ( -4.558 9.992 -0.741) 11.007 3.529 ( -19.799 6.172 7.692) 22.119 3.660 ( -17.432 4.904 -6.199) 19.140 3.884 ( -0.223 16.025 2.516) 16.223 3.938 ( -5.465 16.149 -1.886) 17.153 4.073 ( 0.507 6.970 4.453) 8.286 4.146 ( -0.713 6.590 -3.704) 7.593 4.500 ( 7.797 7.345 4.931) 11.792 4.523 ( 11.606 7.998 2.875) 14.386 4.642 ( 13.517 24.226 10.877) 29.797 4.716 ( 15.733 14.267 0.547) 21.245 4.933 ( 3.329 12.894 6.542) 14.837 5.099 ( -3.427 11.507 -3.301) 12.452 5.278 ( -2.165 10.313 9.154) 13.958 5.428 ( 5.131 13.401 7.489) 16.186 5.560 ( 8.432 11.220 -7.247) 15.795 5.572 ( -0.729 11.088 -14.740) 18.459 5.719 ( -2.610 14.101 6.819) 15.879 5.893 ( -3.010 10.735 -0.984) 11.193 5.924 ( 3.717 16.214 -8.164) 18.530 5.986 ( -4.553 10.896 -8.960) 14.823 6.444 ( -6.067 9.837 7.278) 13.659 6.554 ( -2.425 19.030 -0.877) 19.204 6.657 ( -2.592 18.595 2.216) 18.905 6.729 ( -9.841 20.890 -7.613) 24.314 6.895 ( -1.571 10.291 -4.140) 11.203 6.939 ( -1.104 5.950 -6.916) 9.189 7.273 ( 9.923 4.418 -0.510) 10.874 7.283 ( 8.399 5.112 -2.290) 10.096 7.456 ( 6.613 2.323 6.182) 9.346 7.506 ( 7.739 6.415 2.129) 10.275 7.667 ( -1.754 -2.200 1.432) 3.156 7.767 ( 0.209 -8.285 -7.728) 11.332 7.920 ( -6.670 5.033 7.581) 11.282 8.029 ( -5.300 5.061 -4.086) 8.390 8.217 ( -7.691 0.024 5.700) 9.573 8.291 ( -9.578 -0.514 -2.132) 9.826 8.728 ( 3.266 -6.279 3.110) 7.730 8.773 ( 2.695 -5.475 -1.201) 6.220 9.314 ( 3.599 4.243 1.076) 5.667 9.353 ( 4.411 4.123 -2.869) 6.685 9.592 ( 2.718 2.873 4.445) 5.950 9.673 ( 0.929 2.489 -3.544) 4.430 9.921 ( 2.357 -12.475 3.790) 13.250 9.996 ( -1.455 -9.358 -3.638) 10.145 10.337 ( 0.231 -19.719 1.565) 19.782 10.399 ( 1.895 -16.245 -4.243) 16.896 10.576 ( -3.525 -10.081 4.419) 11.558 10.643 ( -0.788 -11.974 -1.123) 12.052 10.791 ( 4.110 -11.627 9.639) 15.652 10.945 ( 2.882 1.221 1.554) 3.494 11.004 ( 1.777 -10.614 -1.097) 10.818 11.064 ( 1.203 -10.306 -0.406) 10.384 11.101 ( 0.244 -9.818 6.537) 11.798 11.292 ( -0.300 3.073 -11.114) 11.535 11.474 ( -5.198 2.450 10.866) 12.292 11.583 ( -9.429 1.741 -2.538) 9.919 11.697 ( -10.700 2.226 8.173) 13.647 11.817 ( -5.654 8.973 -1.959) 10.785 12.003 ( 6.886 9.527 2.587) 12.036 12.158 ( 8.599 7.231 -9.082) 14.448 12.387 ( 2.223 2.520 9.108) 9.708 12.555 ( -3.060 -0.370 -9.984) 10.448 13.158 ( 5.276 2.830 8.673) 10.539 13.479 ( -2.662 4.022 -22.056) 22.577 13.722 ( -3.745 -1.784 2.067) 4.635 13.813 ( -2.368 -2.849 -6.423) 7.415 15.050 ( 1.666 1.984 0.580) 2.655 15.095 ( 2.733 6.945 -3.617) 8.293 15.302 ( -0.572 -6.320 2.604) 6.859 15.401 ( -2.649 -4.453 -6.567) 8.365 15.848 ( 4.912 2.823 5.221) 7.704 15.932 ( 2.401 1.759 -3.533) 4.619 16.344 ( -2.216 11.596 9.776) 15.327 16.551 ( -7.036 7.787 -13.204) 16.867 17.201 ( -0.445 -30.414 0.525) 30.421 17.219 ( -0.484 -29.556 -1.132) 29.582 17.367 ( 0.867 -23.782 1.300) 23.833 17.401 ( 1.048 -19.592 -2.577) 19.789 19.139 ( 3.616 0.373 17.102) 17.484 19.404 ( -1.213 -0.793 -9.026) 9.142 20.065 ( -0.545 -13.502 17.911) 22.437 20.335 ( -4.101 -11.511 -10.250) 15.950 21.035 ( -2.259 11.545 1.696) 11.886 21.075 ( -4.068 11.835 -2.591) 12.780 21.414 ( -1.451 12.504 0.195) 12.590 21.419 ( -1.549 10.612 -0.331) 10.729 22.737 ( 1.786 -2.854 1.985) 3.908 22.782 ( 1.791 -5.320 -2.909) 6.323 23.136 ( 4.124 -15.115 3.485) 16.051 23.191 ( 2.659 -16.652 -2.499) 17.047 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 15.001 20.491 9.333) 27.056 2.676 ( 9.019 23.130 -0.203) 24.827 2.770 ( 1.260 19.123 0.401) 19.168 2.873 ( 4.106 13.263 -11.571) 18.073 2.947 ( -17.010 16.971 7.149) 25.069 3.101 ( -8.553 13.256 -7.992) 17.684 3.261 ( -6.020 16.268 -0.813) 17.365 3.318 ( -12.643 10.620 -7.221) 18.021 3.909 ( 1.738 16.309 2.382) 16.574 3.917 ( 1.267 15.464 1.670) 15.606 4.066 ( -0.334 6.647 2.105) 6.980 4.097 ( -3.179 5.974 -1.288) 6.889 4.688 ( 10.162 6.476 5.263) 13.149 4.745 ( 10.250 4.844 -0.377) 11.344 4.848 ( -2.895 8.961 3.347) 9.994 4.886 ( 0.281 11.987 -0.852) 12.021 4.965 ( 6.655 18.367 12.044) 22.950 5.070 ( 0.669 15.568 1.012) 15.616 5.277 ( 4.080 13.289 10.676) 17.528 5.445 ( -8.853 17.502 6.063) 20.530 5.611 ( 8.668 8.617 -0.641) 12.239 5.671 ( 0.650 14.182 -0.976) 14.231 5.681 ( -1.330 13.912 1.799) 14.091 5.801 ( -9.354 15.103 -6.220) 18.823 6.013 ( 13.396 16.453 -7.992) 22.672 6.045 ( 10.571 14.843 -10.678) 21.121 6.277 ( -11.654 14.896 -1.315) 18.959 6.374 ( -17.366 16.018 -9.132) 25.329 6.583 ( 0.757 20.556 1.075) 20.598 6.616 ( -2.608 18.993 -2.418) 19.323 6.921 ( 2.297 3.993 -1.488) 4.841 6.945 ( 0.003 2.515 -3.724) 4.494 7.432 ( 6.689 -1.273 1.568) 6.987 7.474 ( 8.154 -0.880 -2.191) 8.489 7.569 ( -2.970 -0.875 8.568) 9.111 7.588 ( 3.184 4.813 5.601) 8.043 7.690 ( 5.873 4.140 -2.114) 7.491 7.769 ( 3.107 3.155 -7.975) 9.122 7.820 ( -4.196 5.771 7.842) 10.602 7.932 ( -5.611 6.889 -3.553) 9.569 8.065 ( -5.700 -3.037 -0.215) 6.462 8.078 ( -8.551 -4.393 -1.948) 9.809 8.782 ( 1.835 -5.119 1.556) 5.656 8.800 ( 0.066 -5.056 -0.141) 5.059 9.398 ( 4.255 5.794 0.283) 7.194 9.430 ( 1.961 6.129 -2.904) 7.060 9.627 ( 0.775 -0.546 1.980) 2.195 9.660 ( -2.154 0.477 -1.310) 2.565 9.962 ( 2.535 -13.907 2.821) 14.415 9.998 ( 0.003 -14.324 -0.820) 14.348 10.359 ( 1.873 -16.414 0.953) 16.548 10.397 ( -1.689 -17.633 -2.765) 17.928 10.594 ( 4.854 -1.546 4.562) 6.838 10.658 ( 0.544 -4.740 -1.866) 5.123 10.832 ( 1.026 -6.258 9.356) 11.302 10.925 ( -6.426 -5.698 1.512) 8.721 11.011 ( 1.996 -11.886 8.195) 14.574 11.047 ( -1.227 -9.836 5.927) 11.549 11.194 ( 6.114 -5.524 -3.675) 9.023 11.284 ( -1.866 3.939 -7.369) 8.561 11.393 ( -1.900 -0.858 4.539) 4.995 11.435 ( -5.922 -3.181 1.953) 7.000 11.555 ( -0.208 2.011 -1.806) 2.711 11.664 ( -8.560 4.463 -8.303) 12.733 12.149 ( 7.599 8.160 6.982) 13.156 12.260 ( -1.356 7.586 0.057) 7.707 12.420 ( 3.502 4.520 0.944) 5.796 12.501 ( -3.092 2.843 -3.915) 5.742 13.273 ( 6.225 1.276 1.741) 6.588 13.395 ( -5.834 1.893 -7.691) 9.838 13.689 ( 1.087 -1.257 -5.625) 5.865 13.747 ( -3.921 -2.100 -8.957) 10.001 15.095 ( 2.554 2.929 2.583) 4.667 15.128 ( -0.106 5.549 0.433) 5.567 15.303 ( 1.157 -5.932 -2.510) 6.545 15.346 ( -2.798 -4.295 -5.538) 7.546 15.949 ( 4.343 2.071 1.335) 4.993 15.980 ( 1.363 1.335 -1.879) 2.677 16.313 ( 0.458 13.021 5.226) 14.039 16.396 ( -7.437 11.477 -3.961) 14.238 17.198 ( 0.193 -30.402 0.728) 30.411 17.207 ( -0.619 -29.804 -0.040) 29.811 17.391 ( 1.302 -23.874 -0.507) 23.915 17.409 ( -0.345 -22.088 -2.449) 22.226 19.235 ( 5.830 -0.537 14.947) 16.053 19.345 ( -4.799 -1.292 6.041) 7.822 20.097 ( 4.318 -11.015 1.368) 11.910 20.219 ( -7.108 -11.212 -9.194) 16.148 21.003 ( -0.680 13.980 0.300) 14.000 21.013 ( -1.823 14.356 -0.743) 14.490 21.386 ( -0.978 12.276 0.156) 12.316 21.388 ( -1.181 12.063 -0.052) 12.120 22.778 ( 1.888 -5.698 1.223) 6.126 22.799 ( -0.170 -6.835 -1.064) 6.920 23.214 ( 3.003 -16.175 0.951) 16.478 23.234 ( 1.003 -16.704 -1.098) 16.770 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.000 29.249 -0.616) 29.256 2.894 ( 0.000 26.085 -6.911) 26.985 3.162 ( 0.000 19.330 6.721) 20.465 3.271 ( 0.000 7.946 -5.077) 9.430 3.470 ( 0.000 15.132 4.066) 15.669 3.572 ( 0.000 21.227 -6.759) 22.277 3.828 ( 0.000 4.127 6.745) 7.908 3.933 ( 0.000 2.672 -5.123) 5.778 4.173 ( 0.000 8.590 3.117) 9.138 4.201 ( 0.000 9.164 0.874) 9.205 4.232 ( 0.000 12.141 8.261) 14.685 4.404 ( 0.000 7.807 -9.720) 12.467 4.546 ( 0.000 7.680 1.966) 7.928 4.549 ( 0.000 7.424 3.140) 8.061 4.644 ( 0.000 9.904 8.734) 13.205 4.836 ( 0.000 12.448 -8.606) 15.133 5.218 ( 0.000 11.889 9.357) 15.130 5.246 ( 0.000 1.558 2.834) 3.234 5.392 ( 0.000 0.902 9.497) 9.540 5.559 ( 0.000 1.824 -2.760) 3.309 5.680 ( 0.000 20.910 9.408) 22.929 5.887 ( 0.000 7.070 -6.650) 9.706 5.921 ( 0.000 -1.284 2.476) 2.789 6.039 ( 0.000 10.814 -9.988) 14.721 6.126 ( 0.000 17.787 1.063) 17.819 6.326 ( 0.000 16.434 -14.387) 21.841 6.621 ( 0.000 5.285 5.067) 7.322 6.810 ( 0.000 1.421 -14.027) 14.099 7.001 ( 0.000 12.949 3.761) 13.484 7.031 ( 0.000 15.426 1.747) 15.525 7.212 ( 0.000 -1.433 11.993) 12.078 7.344 ( 0.000 14.840 -2.101) 14.988 7.349 ( 0.000 13.990 -5.518) 15.039 7.421 ( 0.000 12.027 -5.073) 13.053 7.442 ( 0.000 11.245 1.844) 11.395 7.494 ( 0.000 2.652 -6.409) 6.936 7.616 ( 0.000 5.426 3.063) 6.231 7.709 ( 0.000 4.559 -5.822) 7.395 8.170 ( 0.000 9.674 8.362) 12.787 8.264 ( 0.000 7.148 -2.450) 7.556 8.300 ( 0.000 -2.095 1.010) 2.325 8.358 ( 0.000 2.380 -3.375) 4.130 8.632 ( 0.000 0.982 4.614) 4.717 8.710 ( 0.000 3.462 -2.904) 4.518 9.339 ( 0.000 3.964 1.555) 4.258 9.370 ( 0.000 2.891 -2.533) 3.844 9.561 ( 0.000 -14.399 5.123) 15.284 9.656 ( 0.000 -3.004 5.031) 5.859 9.657 ( 0.000 -15.750 -3.822) 16.207 9.735 ( 0.000 -7.483 -3.319) 8.186 9.936 ( 0.000 -22.776 2.590) 22.923 10.001 ( 0.000 -20.096 -4.520) 20.598 10.308 ( 0.000 -6.734 2.999) 7.372 10.334 ( 0.000 -8.810 0.551) 8.827 10.540 ( 0.000 -8.811 14.717) 17.153 10.814 ( 0.000 -7.368 -14.226) 16.021 10.908 ( 0.000 -4.442 0.834) 4.520 10.931 ( 0.000 -3.723 -2.857) 4.693 11.040 ( 0.000 0.309 18.144) 18.147 11.328 ( 0.000 -1.594 -12.120) 12.224 11.660 ( 0.000 6.667 19.919) 21.005 11.813 ( 0.000 6.991 -2.664) 7.481 11.842 ( 0.000 0.849 5.120) 5.190 12.045 ( 0.000 0.523 -7.149) 7.168 12.123 ( 0.000 10.063 6.434) 11.944 12.250 ( 0.000 16.387 -6.826) 17.752 12.511 ( 0.000 12.733 2.489) 12.974 12.597 ( 0.000 4.545 -9.629) 10.647 13.191 ( 0.000 4.572 13.547) 14.298 13.547 ( 0.000 0.344 -22.621) 22.623 13.754 ( 0.000 -0.369 0.747) 0.833 13.764 ( 0.000 -3.353 -0.410) 3.378 14.923 ( 0.000 -10.395 5.677) 11.844 15.134 ( 0.000 -3.583 -18.426) 18.771 15.205 ( 0.000 -3.562 3.822) 5.225 15.309 ( 0.000 -9.100 -6.617) 11.251 15.769 ( 0.000 -6.629 6.130) 9.029 15.885 ( 0.000 -4.229 -6.243) 7.541 16.348 ( 0.000 -28.126 0.106) 28.126 16.355 ( 0.000 -14.484 0.034) 14.484 16.859 ( 0.000 -3.776 2.953) 4.793 16.887 ( 0.000 -5.998 2.753) 6.600 17.122 ( 0.000 -1.514 -1.150) 1.901 17.158 ( 0.000 -5.383 -2.725) 6.034 19.128 ( 0.000 1.869 14.197) 14.320 19.394 ( 0.000 -1.285 -14.093) 14.152 19.812 ( 0.000 -11.804 23.280) 26.101 20.130 ( 0.000 -13.162 -11.739) 17.636 21.200 ( 0.000 5.070 2.393) 5.606 21.259 ( 0.000 4.573 -3.942) 6.037 21.584 ( 0.000 5.264 2.680) 5.907 21.628 ( 0.000 7.090 -2.135) 7.405 22.688 ( 0.000 -4.236 0.276) 4.245 22.695 ( 0.000 -2.063 -0.452) 2.112 22.823 ( 0.000 -11.557 1.801) 11.696 22.853 ( 0.000 -14.177 -1.343) 14.240 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 2.867 27.222 1.864) 27.436 2.952 ( 5.817 24.091 -7.328) 25.844 3.142 ( -1.155 19.124 4.861) 19.766 3.216 ( -5.730 8.661 -2.925) 10.789 3.412 ( -5.020 11.847 2.907) 13.191 3.502 ( -6.984 15.397 -6.161) 17.994 3.705 ( -8.887 12.130 7.339) 16.733 3.813 ( -9.695 12.073 -4.210) 16.046 4.161 ( -1.325 10.116 4.288) 11.067 4.239 ( 2.632 10.716 -0.339) 11.040 4.243 ( 0.779 12.162 1.783) 12.317 4.282 ( -5.509 10.571 -6.479) 13.568 4.604 ( 6.282 4.894 3.777) 8.813 4.642 ( 7.467 5.781 0.390) 9.451 4.887 ( 16.650 6.829 5.508) 18.820 4.987 ( 10.531 9.655 -3.882) 14.805 5.190 ( -2.731 6.793 6.933) 10.082 5.202 ( -3.179 1.612 3.247) 4.822 5.391 ( 0.369 1.967 12.905) 13.059 5.612 ( 6.021 6.331 -1.643) 8.890 5.772 ( 8.033 18.129 5.641) 20.616 5.878 ( -2.571 7.968 1.039) 8.436 5.925 ( 0.612 1.417 1.680) 2.282 6.050 ( 1.290 9.721 -9.188) 13.439 6.136 ( 2.074 17.735 -3.872) 18.270 6.279 ( -4.708 15.374 -14.567) 21.697 6.553 ( -6.153 0.161 4.272) 7.492 6.723 ( -7.601 -2.978 -12.194) 14.675 6.995 ( -1.570 12.535 4.321) 13.352 7.019 ( 1.023 12.670 0.700) 12.730 7.201 ( -8.876 17.687 1.834) 19.874 7.246 ( -7.292 17.872 -3.777) 19.668 7.348 ( 8.520 5.065 3.323) 10.454 7.423 ( 3.323 9.618 -4.530) 11.139 7.549 ( 6.636 5.803 2.439) 9.147 7.612 ( 2.317 1.925 -0.386) 3.037 7.675 ( 9.870 8.898 -2.548) 13.531 7.738 ( 2.769 6.319 -5.480) 8.810 8.092 ( -5.282 10.310 5.134) 12.671 8.140 ( -7.645 6.147 -1.348) 9.902 8.255 ( -6.211 2.472 3.554) 7.571 8.339 ( -5.868 4.149 -4.063) 8.256 8.656 ( 2.718 0.206 3.722) 4.613 8.723 ( 0.871 1.158 -2.863) 3.209 9.380 ( 3.798 3.268 2.045) 5.412 9.424 ( 4.586 2.579 -2.599) 5.868 9.561 ( -0.122 -15.596 4.442) 16.217 9.639 ( 0.130 -17.265 -0.898) 17.288 9.693 ( 0.940 -4.637 0.140) 4.733 9.723 ( -1.182 -5.241 -1.537) 5.588 9.911 ( -1.278 -19.682 2.804) 19.922 9.984 ( -1.786 -23.327 -4.552) 23.834 10.348 ( 4.675 -6.820 4.502) 9.414 10.396 ( 5.902 -6.481 -0.190) 8.768 10.585 ( 4.014 -9.052 13.668) 16.878 10.821 ( -0.113 -8.787 -9.496) 12.938 10.919 ( 0.900 -3.740 1.816) 4.254 10.960 ( 2.028 -2.927 -3.398) 4.922 11.045 ( 1.374 0.697 15.787) 15.862 11.319 ( -1.078 -2.628 -11.404) 11.752 11.576 ( -6.885 6.413 12.586) 15.714 11.668 ( -11.631 5.774 -0.994) 13.023 11.768 ( -6.346 5.215 4.258) 9.252 11.951 ( -7.591 2.989 -7.946) 11.388 12.209 ( 6.423 10.223 6.945) 13.928 12.353 ( 7.691 12.546 -6.296) 16.006 12.528 ( 1.212 11.093 3.759) 11.775 12.597 ( -0.342 5.166 -4.615) 6.936 13.224 ( 3.200 3.641 10.488) 11.554 13.524 ( -2.941 0.891 -16.174) 16.464 13.691 ( -3.127 -1.461 -1.263) 3.676 13.769 ( -1.492 -1.438 -5.657) 6.025 14.947 ( 2.394 -10.323 6.437) 12.399 15.159 ( 2.284 -4.224 -17.606) 18.250 15.171 ( -3.219 -5.986 4.848) 8.348 15.295 ( -1.257 -7.377 -8.481) 11.310 15.823 ( 4.804 -6.490 4.543) 9.265 15.912 ( 2.379 -4.178 -5.003) 6.939 16.331 ( -1.498 -20.577 0.842) 20.649 16.347 ( -1.019 -19.630 -0.965) 19.680 16.851 ( -0.197 -3.451 5.087) 6.150 16.908 ( 1.357 -3.877 -0.765) 4.179 17.078 ( -3.232 -3.766 3.073) 5.837 17.147 ( -1.553 -6.544 -3.638) 7.647 19.157 ( 2.901 1.526 14.085) 14.461 19.381 ( -1.586 -1.239 -7.056) 7.338 19.823 ( 1.543 -11.104 15.184) 18.874 20.093 ( -3.704 -12.736 -11.701) 17.687 21.199 ( 0.038 5.951 1.859) 6.234 21.244 ( -1.232 5.933 -2.968) 6.747 21.568 ( -1.329 4.951 2.353) 5.640 21.607 ( -1.958 6.573 -1.867) 7.108 22.681 ( -0.413 -4.262 0.149) 4.284 22.684 ( -0.578 -4.167 -0.166) 4.210 22.869 ( 3.630 -11.582 1.178) 12.195 22.889 ( 2.921 -13.787 -0.908) 14.123 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 4.488 19.613 7.401) 21.438 3.059 ( -8.049 11.764 4.679) 15.002 3.103 ( 8.460 18.589 -6.284) 21.368 3.172 ( 3.867 16.052 -4.600) 17.140 3.297 ( -6.101 17.814 1.767) 18.913 3.358 ( -7.485 13.488 -4.669) 16.117 3.570 ( -3.195 16.242 0.908) 16.578 3.620 ( -7.696 18.848 -4.186) 20.784 4.177 ( 2.157 9.616 2.051) 10.066 4.222 ( -1.989 6.940 -2.210) 7.550 4.246 ( 0.753 17.560 1.207) 17.618 4.264 ( -0.320 15.077 -0.038) 15.080 4.762 ( 8.626 2.555 4.441) 10.033 4.802 ( 7.173 1.777 0.805) 7.434 4.985 ( -4.633 5.860 2.455) 7.863 5.023 ( -6.406 5.425 -1.116) 8.469 5.224 ( 5.610 5.516 7.160) 10.638 5.267 ( 3.971 4.018 2.881) 6.342 5.471 ( 11.183 4.390 13.739) 18.250 5.721 ( -8.529 8.198 -5.312) 12.968 5.801 ( 7.575 8.707 8.183) 14.148 5.909 ( 4.639 14.385 4.956) 15.907 5.921 ( -2.181 7.755 2.443) 8.418 6.050 ( -7.950 9.098 -10.160) 15.786 6.192 ( 8.588 5.629 -3.511) 10.853 6.283 ( 6.603 12.255 -9.633) 16.929 6.419 ( -6.186 0.726 -2.993) 6.910 6.536 ( -11.311 0.379 -11.359) 16.034 6.973 ( -0.741 14.759 2.646) 15.013 7.002 ( -3.634 19.309 -0.821) 19.665 7.082 ( -0.160 11.125 0.553) 11.140 7.128 ( -4.186 15.289 -4.165) 16.390 7.486 ( 3.834 5.416 0.139) 6.637 7.492 ( 2.625 5.925 -1.066) 6.568 7.637 ( 2.084 7.203 1.814) 7.715 7.653 ( 1.383 5.155 0.664) 5.379 7.842 ( 8.975 8.633 1.090) 12.501 7.893 ( 10.798 7.075 -3.409) 13.352 8.023 ( -3.065 4.855 1.168) 5.859 8.026 ( -2.932 13.184 2.886) 13.811 8.072 ( -9.874 5.090 0.493) 11.119 8.160 ( -10.681 9.041 -4.670) 14.752 8.705 ( 1.832 -1.606 1.076) 2.663 8.728 ( -0.494 -1.238 -1.118) 1.740 9.470 ( 4.927 0.465 2.019) 5.345 9.512 ( 4.101 -1.777 -1.757) 4.802 9.544 ( -1.872 -13.234 3.132) 13.728 9.609 ( -4.939 -13.918 -2.852) 15.041 9.686 ( 1.578 -6.286 1.627) 6.682 9.717 ( -0.825 -4.937 -1.182) 5.143 9.913 ( 1.222 -21.541 0.515) 21.582 9.945 ( -1.876 -23.868 -2.486) 24.070 10.482 ( 7.511 -7.304 7.275) 12.755 10.528 ( 4.772 -6.963 3.966) 9.327 10.670 ( 4.749 -7.121 6.558) 10.783 10.780 ( -4.614 -6.953 -2.672) 8.762 10.929 ( 0.366 -1.343 3.758) 4.007 10.955 ( -1.979 0.285 3.665) 4.175 11.134 ( 6.593 -2.348 2.958) 7.598 11.258 ( -5.493 -4.192 -5.689) 8.951 11.460 ( -3.834 4.805 6.395) 8.870 11.473 ( -6.081 5.061 1.759) 8.105 11.683 ( 0.168 7.671 -4.142) 8.719 11.783 ( -8.409 5.113 -10.156) 14.142 12.347 ( 7.019 11.014 8.545) 15.607 12.446 ( -1.055 11.055 1.710) 11.236 12.544 ( 2.129 7.911 0.561) 8.211 12.586 ( -0.999 6.259 -1.337) 6.477 13.308 ( 5.282 2.205 5.482) 7.926 13.425 ( -6.321 1.280 -1.247) 6.569 13.674 ( 1.240 -0.404 -10.857) 10.935 13.720 ( -2.950 -0.577 -10.679) 11.094 15.010 ( 3.929 -9.879 7.235) 12.861 15.094 ( -4.385 -8.563 6.617) 11.676 15.212 ( 2.841 -5.447 -15.600) 16.766 15.262 ( -2.175 -6.031 -12.351) 13.916 15.920 ( 4.132 -5.943 1.287) 7.352 15.953 ( 0.899 -4.733 -2.255) 5.319 16.304 ( -0.671 -17.262 0.478) 17.282 16.317 ( -1.698 -18.283 -1.058) 18.393 16.864 ( 1.628 -1.452 5.442) 5.863 16.907 ( -1.950 0.702 0.757) 2.207 17.049 ( 1.184 -9.913 3.016) 10.429 17.099 ( -3.048 -8.997 -2.159) 9.741 19.234 ( 4.652 0.562 12.566) 13.411 19.324 ( -4.151 -0.633 5.974) 7.302 19.885 ( 4.807 -10.549 -0.456) 11.601 19.995 ( -5.872 -11.496 -9.425) 15.983 21.205 ( 0.588 7.345 0.756) 7.407 21.221 ( -1.005 7.579 -0.942) 7.703 21.548 ( -0.275 4.853 1.022) 4.967 21.565 ( -1.888 5.574 -0.802) 5.939 22.677 ( 0.026 -4.751 0.069) 4.752 22.678 ( -0.083 -5.400 -0.047) 5.400 22.930 ( 1.997 -12.757 0.424) 12.919 22.936 ( 1.348 -13.528 -0.239) 13.597 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 0.000 2.142 -0.533) 2.207 3.241 ( 0.000 2.995 -2.709) 4.038 3.403 ( 0.000 16.760 -0.166) 16.760 3.434 ( 0.000 18.193 -3.363) 18.501 3.851 ( 0.000 17.020 6.788) 18.324 3.885 ( 0.000 5.938 5.616) 8.173 4.015 ( 0.000 7.221 0.355) 7.230 4.030 ( 0.000 16.199 -4.603) 16.841 4.264 ( 0.000 5.434 1.367) 5.603 4.311 ( 0.000 2.707 -3.564) 4.476 4.499 ( 0.000 12.654 5.709) 13.882 4.523 ( 0.000 6.714 2.462) 7.151 4.678 ( 0.000 6.227 1.292) 6.360 4.713 ( 0.000 8.232 -1.122) 8.308 4.853 ( 0.000 10.853 10.028) 14.777 5.055 ( 0.000 10.668 -9.503) 14.286 5.252 ( 0.000 -0.538 4.431) 4.463 5.317 ( 0.000 1.415 1.123) 1.807 5.381 ( 0.000 -2.544 5.206) 5.795 5.571 ( 0.000 -0.483 -10.238) 10.249 5.876 ( 0.000 -1.232 1.460) 1.910 5.891 ( 0.000 -0.083 0.395) 0.404 6.133 ( 0.000 18.072 12.143) 21.773 6.184 ( 0.000 0.716 5.801) 5.845 6.453 ( 0.000 0.189 -9.094) 9.096 6.487 ( 0.000 16.007 -8.414) 18.084 6.758 ( 0.000 7.434 -0.066) 7.434 6.899 ( 0.000 6.731 -11.206) 13.072 7.074 ( 0.000 2.329 7.194) 7.561 7.170 ( 0.000 3.818 -3.267) 5.025 7.292 ( 0.000 5.408 11.369) 12.590 7.516 ( 0.000 3.141 3.464) 4.676 7.533 ( 0.000 1.333 -12.489) 12.560 7.580 ( 0.000 12.457 -6.221) 13.924 7.592 ( 0.000 4.061 1.719) 4.409 7.625 ( 0.000 3.653 -0.771) 3.733 7.809 ( 0.000 7.961 -0.105) 7.961 7.871 ( 0.000 8.879 -6.201) 10.830 8.303 ( 0.000 2.995 3.289) 4.448 8.360 ( 0.000 -0.251 -1.916) 1.933 8.389 ( 0.000 11.604 -2.726) 11.920 8.390 ( 0.000 5.295 -3.808) 6.522 8.709 ( 0.000 6.284 5.004) 8.033 8.797 ( 0.000 4.501 -4.567) 6.412 9.237 ( 0.000 -17.866 1.332) 17.916 9.272 ( 0.000 -13.223 -1.894) 13.358 9.387 ( 0.000 -6.441 5.954) 8.771 9.411 ( 0.000 -0.319 3.089) 3.105 9.543 ( 0.000 -1.669 2.701) 3.175 9.603 ( 0.000 2.425 -3.301) 4.096 9.768 ( 0.000 -1.163 2.346) 2.619 9.806 ( 0.000 -2.349 -2.297) 3.285 10.265 ( 0.000 0.039 6.052) 6.053 10.333 ( 0.000 5.346 -1.956) 5.693 10.378 ( 0.000 -6.956 14.732) 16.292 10.621 ( 0.000 -11.308 -10.794) 15.633 10.843 ( 0.000 -2.883 -2.567) 3.861 10.864 ( 0.000 -4.174 -5.558) 6.951 11.027 ( 0.000 -1.577 15.373) 15.454 11.247 ( 0.000 -5.806 -7.988) 9.875 11.709 ( 0.000 -0.881 16.567) 16.591 11.922 ( 0.000 6.296 0.659) 6.330 11.923 ( 0.000 -0.265 -4.401) 4.409 11.998 ( 0.000 -0.148 -9.043) 9.044 12.355 ( 0.000 14.695 15.808) 21.583 12.575 ( 0.000 16.402 -6.929) 17.805 12.752 ( 0.000 10.243 -0.520) 10.257 12.764 ( 0.000 12.199 -0.887) 12.231 13.276 ( 0.000 4.328 9.046) 10.028 13.531 ( 0.000 -1.891 -15.241) 15.358 13.713 ( 0.000 -1.532 2.403) 2.850 13.765 ( 0.000 1.562 -1.944) 2.494 14.672 ( 0.000 -14.450 8.984) 17.016 14.919 ( 0.000 -16.989 -16.799) 23.892 15.039 ( 0.000 -19.005 0.508) 19.012 15.101 ( 0.000 -11.128 -8.082) 13.753 15.544 ( 0.000 -13.815 10.779) 17.522 15.765 ( 0.000 -7.199 -12.878) 14.753 15.915 ( 0.000 -11.908 3.339) 12.368 16.042 ( 0.000 -13.156 -8.946) 15.910 16.869 ( 0.000 2.979 9.092) 9.568 16.903 ( 0.000 4.480 4.600) 6.421 17.126 ( 0.000 0.518 -1.067) 1.186 17.145 ( 0.000 1.640 -3.172) 3.571 19.173 ( 0.000 2.719 9.917) 10.283 19.365 ( 0.000 -1.650 -10.495) 10.624 19.631 ( 0.000 -6.674 17.301) 18.544 19.887 ( 0.000 -11.545 -10.300) 15.472 21.275 ( 0.000 2.992 1.892) 3.540 21.322 ( 0.000 2.311 -3.244) 3.983 21.633 ( 0.000 0.110 4.005) 4.007 21.699 ( 0.000 0.341 -3.070) 3.089 22.556 ( 0.000 -7.804 1.490) 7.945 22.583 ( 0.000 -8.885 -1.390) 8.993 22.690 ( 0.000 -2.674 0.208) 2.682 22.692 ( 0.000 -3.084 -0.053) 3.084 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -0.792 3.171 2.757) 4.276 3.274 ( 2.334 3.711 -5.269) 6.854 3.409 ( -0.348 19.369 1.284) 19.415 3.461 ( 2.045 18.541 -3.782) 19.033 3.672 ( -8.422 11.745 5.457) 15.448 3.756 ( -10.914 9.706 -2.986) 14.907 3.974 ( -2.946 14.680 8.641) 17.288 4.104 ( -3.950 15.551 -5.101) 16.836 4.291 ( 2.756 4.147 0.270) 4.986 4.320 ( 2.539 2.567 -2.665) 4.488 4.498 ( 1.365 10.808 4.064) 11.627 4.543 ( 1.575 12.650 -0.148) 12.749 4.707 ( 3.426 5.851 2.987) 7.409 4.747 ( 3.198 5.177 -0.754) 6.131 4.994 ( 12.773 5.081 10.036) 17.021 5.137 ( 5.171 6.762 -4.122) 9.458 5.200 ( -3.335 -0.658 3.820) 5.114 5.254 ( -5.706 1.455 -1.241) 6.018 5.387 ( 1.211 -1.922 10.635) 10.875 5.639 ( 6.124 -1.781 -14.734) 16.055 5.890 ( 0.712 -0.990 4.297) 4.467 5.927 ( 3.047 0.795 0.393) 3.174 6.171 ( 2.023 12.494 9.157) 15.621 6.196 ( 0.479 2.207 3.382) 4.067 6.404 ( -3.801 2.217 1.962) 4.818 6.517 ( 1.773 12.648 -10.326) 16.424 6.610 ( -16.816 6.220 -4.496) 18.484 6.663 ( -7.335 7.505 -10.250) 14.669 7.159 ( -0.111 5.186 1.575) 5.421 7.179 ( 3.093 4.960 0.680) 5.884 7.410 ( 5.935 3.905 3.312) 7.839 7.448 ( -6.111 7.308 -0.894) 9.568 7.527 ( 0.019 5.524 2.732) 6.163 7.620 ( 0.034 3.473 -3.734) 5.100 7.631 ( 5.635 6.530 -0.199) 8.628 7.678 ( 6.957 4.117 -7.119) 10.771 7.867 ( 5.556 9.078 -0.393) 10.651 7.910 ( 3.762 8.423 -4.383) 10.214 8.248 ( -4.952 3.540 4.437) 7.533 8.331 ( -3.252 12.023 -0.452) 12.464 8.341 ( -2.630 -1.749 -4.706) 5.668 8.362 ( -3.334 10.700 -3.453) 11.727 8.730 ( 1.273 5.750 3.320) 6.761 8.795 ( -0.618 3.930 -3.698) 5.432 9.236 ( -0.909 -15.969 2.293) 16.159 9.275 ( 0.037 -15.617 -1.425) 15.682 9.372 ( -1.708 -6.913 3.701) 8.025 9.383 ( -0.948 -4.455 1.243) 4.722 9.540 ( 1.453 1.595 6.202) 6.566 9.658 ( 3.562 0.248 -5.433) 6.501 9.744 ( -2.460 -1.949 4.045) 5.120 9.826 ( 1.075 -0.184 -4.027) 4.172 10.289 ( 2.663 -0.633 8.079) 8.530 10.356 ( 3.005 -0.617 4.303) 5.285 10.447 ( 5.783 -2.948 6.325) 9.063 10.634 ( 1.147 -10.107 -8.780) 13.437 10.865 ( 2.210 -2.515 -1.483) 3.662 10.899 ( 3.102 -4.082 -5.386) 7.437 11.032 ( 0.619 -1.863 13.029) 13.176 11.223 ( -2.442 -6.392 -6.912) 9.726 11.649 ( -5.319 1.237 13.676) 14.726 11.796 ( -9.907 6.555 -1.349) 11.956 11.886 ( -4.414 4.825 -2.251) 6.916 11.944 ( -4.692 -0.741 -8.237) 9.509 12.428 ( 6.218 12.915 14.149) 20.141 12.621 ( 3.902 14.226 -5.433) 15.720 12.740 ( -1.571 9.384 1.654) 9.657 12.760 ( -0.268 11.390 -0.860) 11.426 13.297 ( 2.149 4.001 8.642) 9.763 13.525 ( -1.498 -0.723 -9.097) 9.248 13.670 ( -2.313 -0.357 -1.498) 2.778 13.761 ( -1.170 0.669 -5.790) 5.945 14.693 ( 2.131 -14.948 9.217) 17.690 14.935 ( 1.313 -16.838 -15.425) 22.873 14.966 ( -5.200 -17.313 3.240) 18.365 15.099 ( -1.437 -14.877 -11.482) 18.847 15.613 ( 6.229 -12.091 9.014) 16.317 15.802 ( 3.152 -6.086 -10.653) 12.667 15.915 ( 0.036 -13.071 2.215) 13.257 16.034 ( -0.974 -12.869 -8.714) 15.572 16.880 ( 1.171 3.439 8.682) 9.412 16.919 ( 1.640 3.755 3.617) 5.465 17.096 ( -3.309 1.992 -0.558) 3.902 17.106 ( -3.224 0.849 -1.492) 3.653 19.197 ( 2.406 2.595 9.931) 10.543 19.362 ( -0.660 -0.673 -5.427) 5.509 19.642 ( 1.397 -7.429 11.231) 13.538 19.858 ( -2.844 -11.177 -9.936) 15.223 21.285 ( 0.945 3.262 1.701) 3.798 21.325 ( 0.304 2.912 -2.767) 4.028 21.610 ( -1.965 -0.295 3.572) 4.087 21.668 ( -2.816 -0.055 -2.704) 3.904 22.566 ( 0.929 -6.222 1.412) 6.447 22.594 ( 0.683 -6.457 -1.609) 6.690 22.697 ( 1.071 -5.193 0.927) 5.383 22.710 ( 1.249 -4.980 -0.512) 5.159 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 3.099 8.626 5.763) 10.827 3.313 ( -3.705 13.920 2.663) 14.648 3.354 ( 1.558 8.848 -4.096) 9.874 3.450 ( -4.704 12.775 -7.041) 15.327 3.614 ( 1.390 14.717 2.784) 15.042 3.645 ( -0.117 14.761 -0.406) 14.767 3.882 ( -2.779 14.455 3.286) 15.082 3.954 ( -8.348 14.407 -4.278) 17.192 4.346 ( 2.157 7.455 1.408) 7.887 4.361 ( 0.683 7.897 -0.103) 7.927 4.540 ( 2.244 11.182 1.097) 11.457 4.565 ( 0.035 13.410 -1.066) 13.453 4.804 ( 5.369 2.315 3.497) 6.813 4.827 ( 3.687 1.414 1.742) 4.316 5.071 ( -4.519 2.257 1.058) 5.161 5.091 ( -5.544 1.113 -0.430) 5.671 5.273 ( 4.993 1.133 4.950) 7.121 5.286 ( 5.750 0.278 3.099) 6.538 5.467 ( 10.940 -2.849 14.090) 18.064 5.723 ( -6.010 -7.523 -7.005) 11.907 5.899 ( 6.411 3.361 3.142) 7.891 5.994 ( 3.300 2.614 1.291) 4.403 6.086 ( -5.973 1.538 0.009) 6.167 6.146 ( -11.511 0.181 -8.896) 14.549 6.370 ( -0.329 6.849 6.541) 9.477 6.386 ( -0.472 8.447 5.361) 10.016 6.557 ( 1.488 6.980 -11.612) 13.630 6.588 ( -1.899 10.525 -14.160) 17.746 7.183 ( 3.191 7.722 3.665) 9.123 7.245 ( 3.239 6.559 -1.825) 7.540 7.306 ( -5.356 11.014 3.236) 12.668 7.381 ( -6.068 9.487 -4.174) 12.010 7.583 ( 3.097 3.238 -0.364) 4.496 7.617 ( -0.588 2.861 -3.324) 4.425 7.756 ( 4.235 4.264 0.449) 6.026 7.773 ( 2.067 2.678 -1.897) 3.878 7.986 ( 6.614 8.348 1.857) 10.811 8.044 ( 8.752 6.467 -3.605) 11.464 8.132 ( -6.115 6.096 4.300) 9.646 8.227 ( -7.666 4.310 -5.079) 10.155 8.301 ( -0.355 12.886 -0.479) 12.900 8.315 ( -1.497 13.174 -1.961) 13.403 8.744 ( 0.579 4.018 0.021) 4.060 8.768 ( -1.777 3.295 -2.430) 4.463 9.217 ( -0.173 -12.033 2.539) 12.299 9.242 ( -2.507 -11.581 0.254) 11.852 9.368 ( 1.075 -13.437 2.004) 13.628 9.382 ( -0.146 -12.083 0.501) 12.095 9.594 ( 3.696 1.320 7.029) 8.050 9.672 ( -3.900 0.269 7.035) 8.048 9.736 ( 3.922 -0.140 -7.521) 8.483 9.810 ( -2.847 0.455 -7.127) 7.688 10.366 ( 4.162 -3.873 10.817) 12.220 10.405 ( 0.684 -4.881 8.875) 10.152 10.577 ( 6.461 -2.787 -0.570) 7.059 10.649 ( -0.556 -6.490 -5.189) 8.328 10.919 ( 2.967 -0.982 0.034) 3.125 10.951 ( 0.834 -1.548 -2.191) 2.809 11.062 ( 3.100 -5.072 4.247) 7.306 11.150 ( -4.875 -6.907 -3.576) 9.179 11.555 ( -2.460 5.275 7.894) 9.808 11.606 ( -7.554 8.020 2.117) 11.219 11.813 ( -1.540 5.495 -4.572) 7.312 11.846 ( -4.328 2.118 -7.347) 8.786 12.561 ( 6.720 11.061 10.996) 16.983 12.669 ( -3.136 11.266 3.447) 12.192 12.708 ( 1.926 9.158 0.018) 9.358 12.748 ( -1.245 9.877 -1.177) 10.025 13.359 ( 4.098 3.161 7.618) 9.210 13.452 ( -5.083 1.748 4.211) 6.828 13.670 ( 1.902 -0.056 -11.749) 11.902 13.720 ( -2.728 0.408 -10.912) 11.256 14.755 ( 4.164 -15.779 9.136) 18.703 14.851 ( -5.529 -16.186 7.662) 18.742 14.985 ( 3.018 -17.840 -15.569) 23.870 15.049 ( -3.254 -17.084 -14.168) 22.432 15.745 ( 6.302 -9.441 5.229) 12.497 15.830 ( -1.744 -6.115 -0.296) 6.366 15.938 ( 2.931 -13.790 -5.748) 15.225 15.999 ( -2.614 -12.470 -8.233) 15.169 16.922 ( 3.243 3.924 7.024) 8.675 16.967 ( 3.180 2.535 1.394) 4.299 17.006 ( -4.998 3.272 3.533) 6.940 17.038 ( -3.782 0.976 -0.357) 3.922 19.259 ( 3.665 2.128 9.049) 9.992 19.327 ( -2.900 1.068 4.370) 5.353 19.695 ( 3.959 -8.914 -0.860) 9.791 19.783 ( -4.553 -10.201 -7.754) 13.598 21.309 ( 1.351 3.854 0.914) 4.185 21.327 ( -0.347 3.916 -1.080) 4.077 21.582 ( -0.315 -0.988 1.572) 1.884 21.608 ( -2.745 -0.781 -1.246) 3.114 22.586 ( 1.002 -3.872 0.581) 4.042 22.599 ( -0.204 -3.505 -0.773) 3.595 22.722 ( 1.083 -8.347 0.556) 8.435 22.729 ( 0.426 -7.858 -0.208) 7.872 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.000 -3.436 0.994) 3.577 3.198 ( 0.000 -4.072 -2.396) 4.725 3.715 ( 0.000 11.887 0.746) 11.911 3.744 ( 0.000 11.152 -2.068) 11.343 3.955 ( 0.000 2.357 5.271) 5.774 3.975 ( 0.000 1.423 3.932) 4.182 4.158 ( 0.000 0.465 -2.610) 2.651 4.161 ( 0.000 1.393 -3.029) 3.334 4.459 ( 0.000 13.739 2.169) 13.909 4.499 ( 0.000 13.983 -2.092) 14.138 4.660 ( 0.000 6.577 2.774) 7.138 4.696 ( 0.000 7.092 0.668) 7.123 4.785 ( 0.000 5.016 6.100) 7.897 4.857 ( 0.000 6.322 -0.240) 6.327 5.014 ( 0.000 4.308 13.796) 14.453 5.232 ( 0.000 -0.571 2.721) 2.781 5.234 ( 0.000 2.531 1.964) 3.203 5.293 ( 0.000 -1.215 -10.704) 10.772 5.319 ( 0.000 -1.541 3.410) 3.742 5.531 ( 0.000 -3.848 -15.038) 15.522 5.894 ( 0.000 2.881 1.258) 3.143 5.909 ( 0.000 1.829 -0.316) 1.856 6.137 ( 0.000 -3.835 2.354) 4.500 6.180 ( 0.000 -6.121 -2.091) 6.468 6.625 ( 0.000 12.672 6.329) 14.165 6.690 ( 0.000 7.407 2.218) 7.732 6.909 ( 0.000 5.779 -1.799) 6.053 7.019 ( 0.000 4.374 -11.854) 12.636 7.160 ( 0.000 5.558 4.823) 7.359 7.230 ( 0.000 1.229 -1.975) 2.326 7.318 ( 0.000 -2.183 6.593) 6.945 7.431 ( 0.000 -9.911 -7.617) 12.500 7.453 ( 0.000 -4.672 2.984) 5.544 7.533 ( 0.000 -8.525 -3.306) 9.144 7.769 ( 0.000 11.079 0.809) 11.108 7.859 ( 0.000 8.672 -8.070) 11.846 7.924 ( 0.000 10.197 0.860) 10.233 8.000 ( 0.000 5.669 -6.382) 8.536 8.284 ( 0.000 -3.501 1.333) 3.746 8.307 ( 0.000 -1.696 -1.454) 2.234 8.605 ( 0.000 11.279 0.271) 11.282 8.639 ( 0.000 11.021 -3.274) 11.497 8.810 ( 0.000 -0.465 4.262) 4.288 8.866 ( 0.000 0.581 -1.911) 1.998 8.940 ( 0.000 -6.255 0.861) 6.314 8.993 ( 0.000 -11.751 -4.697) 12.655 9.405 ( 0.000 4.026 5.289) 6.647 9.439 ( 0.000 2.868 1.743) 3.356 9.621 ( 0.000 5.081 3.445) 6.139 9.689 ( 0.000 3.510 -3.062) 4.658 9.739 ( 0.000 -1.713 1.014) 1.990 9.762 ( 0.000 -2.403 -1.130) 2.655 10.300 ( 0.000 -0.917 7.620) 7.675 10.319 ( 0.000 5.385 9.766) 11.152 10.407 ( 0.000 -5.534 -4.177) 6.934 10.463 ( 0.000 2.581 -5.579) 6.147 10.755 ( 0.000 -6.356 -1.872) 6.626 10.779 ( 0.000 -3.743 -4.091) 5.544 10.995 ( 0.000 -1.128 9.139) 9.208 11.124 ( 0.000 -6.595 -4.556) 8.016 11.699 ( 0.000 0.699 10.577) 10.600 11.822 ( 0.000 -5.601 -1.811) 5.887 12.024 ( 0.000 3.759 -0.821) 3.848 12.055 ( 0.000 2.250 -4.688) 5.200 12.668 ( 0.000 15.974 16.143) 22.711 12.836 ( 0.000 9.498 -1.187) 9.572 12.966 ( 0.000 10.002 -2.125) 10.226 12.967 ( 0.000 8.344 -1.163) 8.424 13.356 ( 0.000 3.707 4.000) 5.454 13.477 ( 0.000 -3.282 -6.149) 6.970 13.727 ( 0.000 3.739 4.119) 5.563 13.818 ( 0.000 3.771 -4.363) 5.767 14.417 ( 0.000 -9.991 8.251) 12.957 14.560 ( 0.000 -17.358 -5.649) 18.254 14.622 ( 0.000 -21.421 4.036) 21.798 14.720 ( 0.000 -23.480 -5.955) 24.223 15.429 ( 0.000 1.169 3.703) 3.883 15.630 ( 0.000 -6.654 -15.976) 17.307 15.816 ( 0.000 -1.336 -4.508) 4.702 15.872 ( 0.000 -5.086 -8.914) 10.263 16.947 ( 0.000 4.003 8.477) 9.374 16.980 ( 0.000 2.890 5.241) 5.985 17.142 ( 0.000 0.779 -0.420) 0.885 17.162 ( 0.000 0.145 -1.768) 1.774 19.230 ( 0.000 3.013 5.055) 5.885 19.330 ( 0.000 -2.023 -5.591) 5.946 19.554 ( 0.000 -1.345 9.385) 9.480 19.694 ( 0.000 -8.143 -5.617) 9.892 21.324 ( 0.000 2.211 1.435) 2.636 21.355 ( 0.000 1.128 -1.905) 2.214 21.611 ( 0.000 -1.584 2.930) 3.331 21.662 ( 0.000 -3.317 -2.529) 4.171 22.442 ( 0.000 -3.735 0.577) 3.780 22.452 ( 0.000 -4.350 -0.510) 4.380 22.653 ( 0.000 -1.237 0.173) 1.249 22.655 ( 0.000 -1.230 -0.062) 1.232 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 4.499 -0.182 2.559) 5.179 3.267 ( 6.246 -2.322 -4.077) 7.812 3.741 ( 0.858 12.530 0.837) 12.587 3.774 ( 0.345 11.845 -2.404) 12.091 3.821 ( -6.715 4.293 5.015) 9.417 3.878 ( -7.082 3.551 -0.928) 7.976 4.172 ( -0.360 3.427 3.333) 4.794 4.244 ( 1.037 -1.257 -4.878) 5.143 4.430 ( 0.193 10.096 1.145) 10.162 4.439 ( -2.840 11.530 -0.066) 11.875 4.652 ( -1.029 5.279 4.773) 7.191 4.713 ( 0.091 3.373 -1.826) 3.837 4.821 ( 3.417 6.595 5.307) 9.128 4.864 ( 1.080 6.131 0.672) 6.262 5.063 ( 3.062 0.107 11.723) 12.117 5.178 ( -4.287 -1.795 2.960) 5.510 5.241 ( -0.311 -1.053 0.236) 1.123 5.292 ( 1.686 7.895 -6.701) 10.492 5.340 ( 2.268 -2.237 5.854) 6.664 5.567 ( 2.540 -5.168 -15.124) 16.183 5.911 ( 1.372 2.917 2.676) 4.190 5.943 ( 3.141 1.050 -0.468) 3.345 6.136 ( -1.031 -5.438 1.313) 5.688 6.154 ( -1.881 -5.097 -0.396) 5.447 6.580 ( -3.894 9.994 5.037) 11.850 6.640 ( -4.586 6.548 -1.501) 8.134 6.832 ( -9.890 9.740 -3.196) 14.244 6.873 ( -4.500 8.469 -7.012) 11.880 7.216 ( 0.883 0.320 -0.560) 1.094 7.236 ( 2.076 1.625 -1.172) 2.885 7.418 ( 6.100 -3.862 2.823) 7.752 7.464 ( 1.678 -4.246 -2.743) 5.326 7.490 ( 4.247 -5.479 -0.595) 6.958 7.542 ( 1.210 -6.352 -2.478) 6.925 7.774 ( 1.284 9.035 2.911) 9.579 7.851 ( -0.774 7.398 -5.799) 9.432 8.003 ( 6.441 7.869 -0.197) 10.171 8.048 ( 4.213 6.460 -4.810) 9.090 8.272 ( -1.065 -2.492 0.543) 2.764 8.283 ( -2.047 0.096 -0.771) 2.189 8.580 ( -2.118 11.532 0.795) 11.751 8.618 ( -2.007 10.735 -3.157) 11.368 8.784 ( -2.061 -3.913 1.213) 4.585 8.810 ( -3.620 -2.048 -1.932) 4.586 9.022 ( 6.014 -2.958 0.592) 6.729 9.036 ( 4.113 -6.139 -1.242) 7.493 9.373 ( -3.712 3.650 4.266) 6.730 9.391 ( -4.259 3.141 2.239) 5.746 9.619 ( 0.108 4.462 3.847) 5.892 9.696 ( 0.999 1.516 -4.300) 4.667 9.710 ( -1.930 -1.730 3.757) 4.564 9.793 ( 1.195 -3.302 -4.513) 5.718 10.323 ( 1.507 2.915 9.037) 9.614 10.337 ( 2.339 1.891 6.590) 7.244 10.460 ( 4.546 -5.269 -3.050) 7.599 10.487 ( 2.447 2.180 -4.574) 5.627 10.786 ( 3.198 -6.365 -1.460) 7.271 10.805 ( 2.627 -4.095 -3.214) 5.831 10.991 ( -0.614 -1.843 7.232) 7.489 11.093 ( -3.091 -6.599 -3.545) 8.103 11.680 ( -1.452 2.576 9.794) 10.230 11.807 ( -1.491 -3.208 -3.006) 4.642 11.960 ( -5.950 4.214 -0.169) 7.293 11.999 ( -4.952 2.615 -4.500) 7.184 12.700 ( 3.114 14.051 14.949) 20.751 12.851 ( 1.427 8.566 -0.479) 8.698 12.931 ( -2.713 8.893 0.770) 9.330 12.961 ( -1.187 8.453 -2.260) 8.830 13.378 ( 2.154 4.132 4.816) 6.701 13.504 ( 2.153 -1.152 -4.825) 5.407 13.690 ( -3.021 3.073 2.575) 5.020 13.794 ( -2.425 2.487 -5.968) 6.906 14.422 ( 0.675 -10.917 8.202) 13.671 14.563 ( -0.195 -18.436 -3.799) 18.825 14.588 ( -2.312 -19.180 3.143) 19.573 14.698 ( -2.020 -22.633 -6.318) 23.585 15.502 ( 6.569 0.209 1.981) 6.864 15.674 ( 4.045 -6.505 -14.657) 16.538 15.804 ( -1.350 -1.401 -4.262) 4.685 15.866 ( -0.807 -5.214 -9.185) 10.593 16.957 ( 1.090 3.823 7.805) 8.759 16.989 ( 0.919 2.691 4.566) 5.379 17.120 ( -2.064 0.915 -0.015) 2.257 17.131 ( -2.893 0.766 -0.385) 3.017 19.255 ( 2.463 3.226 5.248) 6.634 19.351 ( 1.780 -0.817 -4.598) 4.998 19.541 ( -0.988 -2.640 7.831) 8.323 19.669 ( -2.439 -8.106 -5.492) 10.091 21.338 ( 1.306 2.364 1.380) 3.032 21.368 ( 1.168 1.484 -1.893) 2.673 21.580 ( -2.725 -1.952 2.776) 4.353 21.627 ( -3.212 -3.403 -2.252) 5.193 22.471 ( 2.678 -3.224 0.688) 4.247 22.484 ( 2.844 -4.005 -0.698) 4.961 22.641 ( -1.172 -1.563 0.446) 2.004 22.648 ( -0.889 -1.952 -0.283) 2.163 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 9.890 5.354 3.305) 11.722 3.426 ( 9.690 2.078 -4.723) 10.978 3.572 ( -11.981 8.777 2.854) 15.124 3.631 ( -10.703 5.475 -3.113) 12.418 3.865 ( 5.116 11.082 2.351) 12.430 3.899 ( 3.744 11.096 -1.247) 11.777 4.093 ( -4.104 6.628 2.603) 8.219 4.149 ( -7.584 5.220 -3.739) 9.937 4.464 ( 3.940 5.233 2.744) 7.102 4.498 ( 2.506 4.903 -0.141) 5.508 4.630 ( 0.297 -0.594 3.702) 3.761 4.684 ( -3.071 -0.852 -1.450) 3.501 4.886 ( 3.194 5.491 3.909) 7.459 4.908 ( 2.251 5.618 2.103) 6.407 5.044 ( -2.534 -3.280 2.711) 4.953 5.079 ( -5.130 -2.786 -0.212) 5.842 5.306 ( 4.233 2.404 4.078) 6.351 5.332 ( 1.062 5.064 2.436) 5.719 5.419 ( 6.982 -1.923 6.213) 9.541 5.563 ( -4.641 -6.768 -5.136) 9.681 5.953 ( 3.846 2.684 -0.802) 4.758 6.007 ( 1.918 -0.528 -3.394) 3.934 6.077 ( -2.326 -1.199 2.539) 3.646 6.119 ( -3.592 -2.515 -2.254) 4.931 6.517 ( -1.264 8.456 2.426) 8.888 6.549 ( -3.644 9.192 0.256) 9.891 6.717 ( -0.791 6.938 -6.042) 9.234 6.775 ( -5.174 6.666 -9.950) 13.047 7.245 ( 1.788 -1.504 -0.564) 2.404 7.264 ( 0.337 -2.726 -2.214) 3.528 7.476 ( 0.656 -3.058 -2.910) 4.272 7.478 ( 0.233 -3.532 -3.429) 4.928 7.580 ( 3.766 4.410 1.788) 6.068 7.595 ( 2.619 2.091 0.561) 3.398 7.798 ( 0.640 2.284 1.813) 2.986 7.823 ( -1.984 3.094 -1.198) 3.865 8.123 ( 4.598 3.783 -0.167) 5.957 8.133 ( 3.382 5.485 -1.463) 6.607 8.245 ( -1.302 2.699 -0.082) 2.998 8.249 ( -1.436 0.721 -0.392) 1.654 8.549 ( -0.457 10.898 0.558) 10.922 8.571 ( -2.348 10.009 -1.678) 10.417 8.748 ( -1.103 -3.587 -1.902) 4.207 8.755 ( -1.751 -3.471 -2.564) 4.657 9.131 ( 5.855 0.913 2.330) 6.368 9.156 ( 6.607 0.477 0.473) 6.641 9.264 ( -6.238 2.151 3.999) 7.715 9.293 ( -5.849 1.473 1.709) 6.270 9.633 ( 1.286 2.076 4.392) 5.025 9.668 ( -2.167 -0.521 5.141) 5.603 9.733 ( 2.577 -1.489 -6.265) 6.936 9.784 ( -2.028 -3.527 -6.808) 7.931 10.358 ( 1.772 3.242 8.123) 8.923 10.373 ( 0.595 2.005 6.603) 6.926 10.539 ( 2.750 -3.847 -2.722) 5.456 10.546 ( 2.323 -2.105 -3.265) 4.526 10.872 ( 4.567 -4.113 -0.728) 6.189 10.878 ( 4.890 -4.825 -1.230) 6.979 10.963 ( -2.214 -4.184 3.101) 5.659 11.008 ( -5.345 -6.835 -1.436) 8.795 11.673 ( 1.599 6.564 5.885) 8.959 11.749 ( -4.926 5.937 -1.898) 7.944 11.862 ( -1.676 0.528 0.020) 1.757 11.898 ( -4.404 1.697 -3.784) 6.049 12.777 ( 4.438 10.846 11.226) 16.228 12.860 ( -3.469 8.679 6.277) 11.259 12.891 ( 1.480 7.637 -1.102) 7.857 12.929 ( -1.945 7.372 -1.503) 7.771 13.438 ( 3.836 5.201 6.203) 8.957 13.511 ( -2.571 4.858 4.351) 7.010 13.665 ( 1.726 -0.858 -7.013) 7.273 13.730 ( -3.861 0.179 -8.559) 9.391 14.449 ( 2.222 -13.377 8.035) 15.762 14.507 ( -3.551 -16.655 7.037) 18.426 14.601 ( 2.075 -19.046 -6.456) 20.218 14.650 ( -2.730 -20.841 -6.771) 22.083 15.644 ( 6.991 -1.039 -1.024) 7.142 15.751 ( -2.635 -2.820 -4.344) 5.811 15.766 ( 3.102 -4.682 -11.037) 12.383 15.834 ( -2.565 -5.527 -10.182) 11.866 16.993 ( 2.576 3.212 5.789) 7.104 17.017 ( 1.883 2.202 2.889) 4.092 17.061 ( -3.506 1.923 2.789) 4.875 17.072 ( -2.818 1.486 1.236) 3.417 19.316 ( 3.426 3.680 5.111) 7.170 19.367 ( -1.041 2.937 1.304) 3.377 19.543 ( 1.881 -6.701 0.651) 6.991 19.605 ( -3.771 -7.987 -4.459) 9.894 21.371 ( 1.904 2.928 0.887) 3.603 21.390 ( 0.498 2.833 -1.130) 3.090 21.532 ( -1.165 -3.409 1.547) 3.921 21.557 ( -3.214 -3.748 -1.167) 5.073 22.530 ( 2.877 -1.885 0.539) 3.481 22.542 ( 2.338 -2.308 -0.749) 3.370 22.611 ( -1.474 -3.307 0.672) 3.683 22.620 ( -1.765 -3.577 -0.342) 4.004 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.000 -0.909 -0.180) 0.926 3.142 ( 0.000 0.909 -0.181) 0.927 3.839 ( 0.000 -1.013 1.612) 1.904 3.839 ( 0.000 1.013 1.612) 1.904 3.986 ( 0.000 -0.523 2.109) 2.173 3.986 ( 0.000 0.523 2.109) 2.173 4.157 ( 0.000 -0.152 -3.605) 3.609 4.157 ( 0.000 0.152 -3.605) 3.609 4.640 ( 0.000 -1.459 0.630) 1.589 4.640 ( 0.000 1.459 0.630) 1.589 4.748 ( 0.000 -1.561 -0.326) 1.595 4.748 ( 0.000 1.561 -0.326) 1.595 4.896 ( 0.000 -4.780 6.579) 8.133 4.896 ( 0.000 4.780 6.579) 8.133 5.082 ( 0.000 -8.060 8.317) 11.582 5.082 ( 0.000 8.060 8.317) 11.582 5.267 ( 0.000 -3.234 1.778) 3.691 5.267 ( 0.000 3.234 1.778) 3.691 5.424 ( 0.000 -6.957 -13.172) 14.896 5.424 ( 0.000 6.957 -13.172) 14.896 5.938 ( 0.000 -0.087 -1.125) 1.128 5.938 ( 0.000 0.087 -1.125) 1.128 6.098 ( 0.000 -1.129 -0.579) 1.269 6.098 ( 0.000 1.129 -0.579) 1.269 6.781 ( 0.000 -1.514 4.355) 4.610 6.781 ( 0.000 1.514 4.355) 4.610 6.982 ( 0.000 -5.465 -3.345) 6.408 6.982 ( 0.000 5.466 -3.345) 6.408 7.223 ( 0.000 -0.622 -1.177) 1.331 7.223 ( 0.000 0.622 -1.177) 1.331 7.328 ( 0.000 -2.483 -2.683) 3.655 7.328 ( 0.000 2.483 -2.682) 3.656 7.406 ( 0.000 -1.934 1.651) 2.542 7.406 ( 0.000 1.933 1.651) 2.542 7.882 ( 0.000 -1.382 -1.048) 1.735 7.882 ( 0.000 1.382 -1.048) 1.735 8.159 ( 0.000 -5.742 -0.002) 5.742 8.159 ( 0.000 5.742 -0.002) 5.742 8.205 ( 0.000 -7.450 -3.644) 8.294 8.205 ( 0.000 7.450 -3.644) 8.294 8.748 ( 0.000 -1.831 -1.253) 2.219 8.748 ( 0.000 1.831 -1.253) 2.219 8.761 ( 0.000 -2.170 -1.178) 2.469 8.761 ( 0.000 2.170 -1.178) 2.469 8.935 ( 0.000 -0.222 -0.857) 0.886 8.935 ( 0.000 0.222 -0.857) 0.886 9.462 ( 0.000 -1.024 3.296) 3.452 9.462 ( 0.000 1.024 3.296) 3.452 9.698 ( 0.000 -2.670 -0.534) 2.723 9.698 ( 0.000 2.671 -0.534) 2.723 9.727 ( 0.000 -1.064 0.142) 1.074 9.727 ( 0.000 1.065 0.142) 1.074 10.319 ( 0.000 -2.378 1.521) 2.823 10.319 ( 0.000 2.378 1.521) 2.823 10.448 ( 0.000 -6.242 2.542) 6.740 10.448 ( 0.000 6.242 2.542) 6.740 10.709 ( 0.000 -2.519 -2.649) 3.656 10.709 ( 0.000 2.520 -2.649) 3.656 11.014 ( 0.000 -3.715 1.517) 4.013 11.014 ( 0.000 3.715 1.517) 4.013 11.739 ( 0.000 -3.169 4.904) 5.839 11.739 ( 0.000 3.169 4.904) 5.839 12.067 ( 0.000 -0.800 -2.774) 2.887 12.067 ( 0.000 0.800 -2.774) 2.887 12.897 ( 0.000 -5.248 7.339) 9.022 12.897 ( 0.000 5.248 7.339) 9.022 13.056 ( 0.000 -0.278 -0.318) 0.422 13.056 ( 0.000 0.278 -0.318) 0.422 13.419 ( 0.000 -2.900 -1.566) 3.296 13.419 ( 0.000 2.900 -1.566) 3.296 13.845 ( 0.000 -4.497 0.278) 4.506 13.845 ( 0.000 4.497 0.278) 4.506 14.343 ( 0.000 -2.426 4.120) 4.781 14.343 ( 0.000 2.426 4.120) 4.781 14.394 ( 0.000 -5.185 0.074) 5.186 14.394 ( 0.000 5.186 0.074) 5.186 15.507 ( 0.000 -5.755 -8.888) 10.588 15.507 ( 0.000 5.755 -8.888) 10.589 15.817 ( 0.000 -1.223 -8.203) 8.293 15.817 ( 0.000 1.223 -8.203) 8.293 17.000 ( 0.000 -1.021 6.985) 7.059 17.000 ( 0.000 1.021 6.985) 7.059 17.155 ( 0.000 -0.651 -0.971) 1.169 17.155 ( 0.000 0.652 -0.971) 1.169 19.285 ( 0.000 -2.620 -0.199) 2.627 19.285 ( 0.000 2.620 -0.199) 2.627 19.577 ( 0.000 -3.710 1.316) 3.937 19.577 ( 0.000 3.710 1.316) 3.937 21.358 ( 0.000 -0.984 0.230) 1.010 21.358 ( 0.000 0.984 0.230) 1.010 21.606 ( 0.000 -1.592 -0.227) 1.608 21.606 ( 0.000 1.592 -0.227) 1.608 22.409 ( 0.000 -0.247 0.003) 0.247 22.409 ( 0.000 0.247 0.003) 0.247 22.642 ( 0.000 -0.088 0.072) 0.114 22.642 ( 0.000 0.088 0.072) 0.114 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 7.825 -1.814 -0.442) 8.045 3.221 ( 7.825 1.815 -0.442) 8.045 3.859 ( -3.847 -0.593 3.824) 5.456 3.859 ( -3.847 0.593 3.824) 5.456 3.906 ( -0.465 -2.003 -1.759) 2.706 3.906 ( -0.465 2.003 -1.759) 2.706 4.202 ( 1.933 -1.848 -2.488) 3.653 4.202 ( 1.933 1.848 -2.488) 3.653 4.580 ( -4.547 -1.221 1.793) 5.038 4.580 ( -4.547 1.221 1.793) 5.038 4.706 ( -3.612 -2.268 0.654) 4.315 4.706 ( -3.612 2.268 0.654) 4.315 4.924 ( 1.880 -2.252 3.385) 4.479 4.924 ( 1.880 2.252 3.385) 4.479 5.069 ( -1.717 -4.843 7.176) 8.826 5.069 ( -1.717 4.843 7.176) 8.826 5.285 ( 2.542 -3.482 3.695) 5.679 5.285 ( 2.542 3.482 3.695) 5.679 5.449 ( 1.684 -7.163 -10.938) 13.183 5.449 ( 1.684 7.163 -10.938) 13.183 5.958 ( 1.966 -0.583 -0.648) 2.151 5.958 ( 1.966 0.584 -0.648) 2.151 6.084 ( -1.178 -1.087 -0.196) 1.615 6.084 ( -1.178 1.088 -0.196) 1.615 6.715 ( -4.413 -2.326 1.007) 5.089 6.715 ( -4.413 2.326 1.007) 5.089 6.920 ( -6.171 -2.295 -4.142) 7.778 6.920 ( -6.171 2.296 -4.142) 7.778 7.267 ( 2.036 -5.581 -0.791) 5.993 7.267 ( 2.036 5.581 -0.791) 5.993 7.310 ( -0.781 -6.393 -2.632) 6.958 7.310 ( -0.781 6.393 -2.632) 6.958 7.491 ( 8.367 -1.600 2.250) 8.811 7.491 ( 8.367 1.600 2.250) 8.811 7.886 ( -0.229 -2.084 -0.540) 2.165 7.886 ( -0.229 2.084 -0.540) 2.165 8.176 ( 1.476 -3.823 -0.140) 4.101 8.176 ( 1.476 3.823 -0.140) 4.101 8.214 ( 0.794 -5.244 -2.683) 5.944 8.214 ( 0.794 5.244 -2.683) 5.944 8.718 ( -2.892 -2.676 -1.340) 4.162 8.718 ( -2.892 2.676 -1.340) 4.162 8.731 ( -1.713 -1.526 -1.344) 2.659 8.731 ( -1.713 1.526 -1.344) 2.659 9.013 ( 6.709 -0.202 0.298) 6.719 9.013 ( 6.709 0.202 0.298) 6.719 9.423 ( -3.883 -0.579 2.963) 4.919 9.423 ( -3.883 0.579 2.963) 4.919 9.687 ( -0.831 -1.459 0.688) 1.814 9.687 ( -0.831 1.459 0.687) 1.815 9.720 ( -0.712 -2.954 -1.905) 3.586 9.720 ( -0.712 2.954 -1.905) 3.586 10.365 ( 4.041 -2.443 1.340) 4.909 10.365 ( 4.041 2.444 1.340) 4.909 10.466 ( 1.377 -5.640 2.404) 6.284 10.466 ( 1.377 5.640 2.404) 6.284 10.733 ( 2.708 -2.172 -1.979) 3.996 10.733 ( 2.708 2.173 -1.979) 3.996 10.993 ( -2.205 -2.843 1.389) 3.857 10.993 ( -2.205 2.843 1.389) 3.857 11.743 ( 0.683 -3.430 4.246) 5.500 11.743 ( 0.683 3.430 4.246) 5.501 12.012 ( -5.301 -1.073 -2.770) 6.077 12.012 ( -5.301 1.074 -2.770) 6.077 12.905 ( 0.861 -4.800 7.146) 8.652 12.905 ( 0.861 4.800 7.146) 8.652 13.032 ( -2.156 -1.074 0.367) 2.436 13.032 ( -2.156 1.074 0.367) 2.436 13.459 ( 3.824 -3.950 -1.220) 5.632 13.459 ( 3.824 3.950 -1.220) 5.632 13.795 ( -4.713 -4.833 0.185) 6.753 13.795 ( -4.713 4.833 0.185) 6.753 14.343 ( 0.003 -2.905 3.364) 4.445 14.343 ( 0.003 2.905 3.364) 4.445 14.384 ( -0.892 -5.475 0.212) 5.551 14.384 ( -0.892 5.475 0.212) 5.551 15.562 ( 5.014 -4.938 -8.691) 11.183 15.562 ( 5.014 4.938 -8.691) 11.183 15.806 ( -1.204 -1.401 -8.223) 8.427 15.806 ( -1.204 1.401 -8.223) 8.427 17.007 ( 0.799 -0.956 6.285) 6.408 17.007 ( 0.799 0.956 6.285) 6.408 17.133 ( -2.100 -0.404 -0.124) 2.142 17.133 ( -2.100 0.404 -0.124) 2.142 19.316 ( 3.002 -2.787 -0.085) 4.097 19.316 ( 3.002 2.787 -0.085) 4.097 19.552 ( -2.532 -3.657 1.148) 4.594 19.552 ( -2.532 3.657 1.148) 4.594 21.374 ( 1.614 -1.034 0.194) 1.926 21.374 ( 1.614 1.034 0.194) 1.926 21.571 ( -3.304 -1.532 -0.173) 3.646 21.571 ( -3.304 1.532 -0.173) 3.646 22.443 ( 3.130 -0.308 0.005) 3.145 22.443 ( 3.130 0.308 0.005) 3.145 22.628 ( -1.496 -0.169 0.064) 1.507 22.628 ( -1.496 0.169 0.064) 1.507 ======================= Grid point 189 (72/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 12.213 -2.115 -0.731) 12.416 3.425 ( 12.213 2.115 -0.731) 12.416 3.668 ( -11.912 -1.459 0.046) 12.001 3.668 ( -11.912 1.460 0.046) 12.001 4.013 ( 7.602 -1.984 0.419) 7.868 4.013 ( 7.602 1.984 0.419) 7.868 4.161 ( -6.239 -2.409 -0.800) 6.736 4.161 ( -6.239 2.410 -0.800) 6.736 4.545 ( 1.924 -1.433 1.872) 3.043 4.545 ( 1.924 1.433 1.872) 3.043 4.621 ( -4.752 -2.885 1.059) 5.659 4.621 ( -4.752 2.885 1.059) 5.659 4.961 ( 2.204 -1.459 2.409) 3.576 4.961 ( 2.204 1.459 2.409) 3.576 5.016 ( -3.205 -1.948 3.972) 5.463 5.016 ( -3.205 1.948 3.972) 5.463 5.369 ( 5.208 -3.422 3.588) 7.191 5.369 ( 5.208 3.422 3.588) 7.191 5.450 ( -2.219 -5.919 -3.423) 7.189 5.450 ( -2.219 5.919 -3.423) 7.189 6.008 ( 2.898 -1.871 -0.507) 3.486 6.008 ( 2.898 1.871 -0.507) 3.486 6.057 ( -1.836 -2.090 -0.977) 2.949 6.057 ( -1.836 2.090 -0.977) 2.949 6.677 ( 1.472 -4.314 -2.768) 5.333 6.677 ( 1.472 4.315 -2.768) 5.334 6.773 ( -7.499 -4.796 -4.032) 9.772 6.773 ( -7.499 4.796 -4.032) 9.772 7.287 ( 0.684 -8.122 -2.011) 8.395 7.287 ( 0.684 8.122 -2.011) 8.396 7.300 ( -0.586 -8.035 -3.415) 8.750 7.300 ( -0.586 8.035 -3.415) 8.750 7.685 ( 9.923 -0.651 2.737) 10.314 7.685 ( 9.923 0.651 2.737) 10.314 7.839 ( -5.202 -1.596 1.102) 5.552 7.839 ( -5.202 1.596 1.102) 5.552 8.207 ( 1.537 -1.758 -0.425) 2.374 8.207 ( 1.537 1.758 -0.425) 2.374 8.225 ( -0.044 -1.896 -1.298) 2.298 8.225 ( -0.044 1.896 -1.298) 2.298 8.681 ( -0.584 -1.259 -1.367) 1.948 8.681 ( -0.584 1.259 -1.367) 1.948 8.694 ( -1.683 -1.482 -1.222) 2.553 8.694 ( -1.683 1.482 -1.222) 2.554 9.164 ( 8.166 -0.870 1.838) 8.416 9.164 ( 8.166 0.870 1.838) 8.416 9.315 ( -6.930 -0.894 2.633) 7.467 9.315 ( -6.930 0.894 2.633) 7.467 9.680 ( 0.358 -0.924 -0.641) 1.181 9.680 ( 0.358 0.925 -0.641) 1.181 9.699 ( -1.328 -2.969 -2.322) 3.997 9.699 ( -1.328 2.969 -2.322) 3.997 10.443 ( 3.308 -2.832 1.263) 4.534 10.443 ( 3.308 2.832 1.263) 4.535 10.480 ( -0.393 -3.987 1.780) 4.384 10.480 ( -0.393 3.987 1.780) 4.384 10.819 ( 5.632 -0.863 -0.296) 5.706 10.819 ( 5.632 0.863 -0.296) 5.706 10.926 ( -4.691 -1.015 0.947) 4.892 10.926 ( -4.691 1.015 0.947) 4.892 11.781 ( 3.583 -3.427 1.816) 5.280 11.781 ( 3.583 3.427 1.816) 5.280 11.886 ( -6.729 -2.304 -1.393) 7.248 11.886 ( -6.729 2.304 -1.393) 7.248 12.934 ( 2.078 -3.561 5.540) 6.906 12.934 ( 2.078 3.561 5.540) 6.906 12.982 ( -2.729 -2.173 2.633) 4.370 12.982 ( -2.729 2.173 2.633) 4.370 13.556 ( 5.920 -5.169 -0.600) 7.882 13.556 ( 5.920 5.169 -0.600) 7.882 13.681 ( -6.501 -5.335 -0.102) 8.410 13.681 ( -6.501 5.335 -0.102) 8.410 14.348 ( 0.562 -4.150 1.901) 4.599 14.348 ( 0.562 4.150 1.901) 4.599 14.364 ( -1.055 -5.291 0.762) 5.448 14.364 ( -1.055 5.291 0.762) 5.449 15.673 ( 5.634 -3.337 -8.424) 10.670 15.673 ( 5.634 3.338 -8.424) 10.670 15.763 ( -3.380 -2.049 -8.288) 9.182 15.763 ( -3.380 2.049 -8.288) 9.182 17.034 ( 1.985 -0.741 4.420) 4.901 17.034 ( 1.985 0.741 4.420) 4.901 17.082 ( -2.806 -0.350 1.987) 3.456 17.082 ( -2.806 0.350 1.987) 3.456 19.393 ( 4.601 -3.148 0.253) 5.580 19.393 ( 4.601 3.148 0.253) 5.580 19.483 ( -4.313 -3.474 0.728) 5.586 19.483 ( -4.313 3.474 0.728) 5.586 21.421 ( 3.169 -1.183 0.092) 3.384 21.421 ( 3.169 1.183 0.092) 3.384 21.494 ( -4.131 -1.377 -0.047) 4.354 21.494 ( -4.131 1.377 -0.047) 4.354 22.515 ( 3.892 -0.346 0.018) 3.907 22.515 ( 3.892 0.346 0.018) 3.907 22.584 ( -2.965 -0.286 0.042) 2.979 22.584 ( -2.965 0.286 0.042) 2.979 =================== 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 3/33600 10.0 3307.188 2029.815 4122.815 0.000 0.000 0.000 3/33600 20.0 1267.962 1633.943 1402.393 0.000 0.000 0.000 3/33600 30.0 488.215 747.330 508.958 0.000 0.000 0.000 3/33600 40.0 229.030 379.602 234.976 0.000 0.000 0.000 3/33600 50.0 127.671 218.582 129.605 0.000 0.000 0.000 3/33600 60.0 80.903 140.788 81.560 0.000 0.000 0.000 3/33600 70.0 56.216 98.859 56.425 0.000 0.000 0.000 3/33600 80.0 41.772 74.029 41.808 0.000 0.000 0.000 3/33600 90.0 32.626 58.176 32.594 0.000 0.000 0.000 3/33600 100.0 26.467 47.433 26.409 0.000 0.000 0.000 3/33600 110.0 22.111 39.799 22.045 0.000 0.000 0.000 3/33600 120.0 18.906 34.159 18.841 0.000 0.000 0.000 3/33600 130.0 16.469 29.859 16.410 0.000 0.000 0.000 3/33600 140.0 14.566 26.491 14.514 0.000 0.000 0.000 3/33600 150.0 13.045 23.794 13.000 0.000 0.000 0.000 3/33600 160.0 11.806 21.592 11.768 0.000 0.000 0.000 3/33600 170.0 10.779 19.764 10.748 0.000 0.000 0.000 3/33600 180.0 9.915 18.225 9.891 0.000 0.000 0.000 3/33600 190.0 9.181 16.913 9.162 0.000 0.000 0.000 3/33600 200.0 8.548 15.782 8.534 0.000 0.000 0.000 3/33600 210.0 7.998 14.798 7.989 0.000 0.000 0.000 3/33600 220.0 7.516 13.933 7.511 0.000 0.000 0.000 3/33600 230.0 7.090 13.167 7.088 0.000 0.000 0.000 3/33600 240.0 6.711 12.485 6.712 0.000 0.000 0.000 3/33600 250.0 6.371 11.873 6.375 0.000 0.000 0.000 3/33600 260.0 6.065 11.321 6.071 0.000 0.000 0.000 3/33600 270.0 5.788 10.820 5.796 0.000 0.000 0.000 3/33600 280.0 5.536 10.364 5.546 0.000 0.000 0.000 3/33600 290.0 5.306 9.946 5.317 0.000 0.000 0.000 3/33600 300.0 5.094 9.562 5.107 0.000 0.000 0.000 3/33600 310.0 4.900 9.209 4.914 0.000 0.000 0.000 3/33600 320.0 4.720 8.881 4.735 0.000 0.000 0.000 3/33600 330.0 4.554 8.577 4.570 0.000 0.000 0.000 3/33600 340.0 4.399 8.294 4.416 0.000 0.000 0.000 3/33600 350.0 4.255 8.030 4.272 0.000 0.000 0.000 3/33600 360.0 4.120 7.783 4.138 0.000 0.000 0.000 3/33600 370.0 3.994 7.551 4.012 0.000 0.000 0.000 3/33600 380.0 3.875 7.333 3.894 0.000 0.000 0.000 3/33600 390.0 3.764 7.128 3.783 0.000 0.000 0.000 3/33600 400.0 3.659 6.935 3.678 0.000 0.000 0.000 3/33600 410.0 3.560 6.752 3.579 0.000 0.000 0.000 3/33600 420.0 3.466 6.578 3.486 0.000 0.000 0.000 3/33600 430.0 3.378 6.414 3.397 0.000 0.000 0.000 3/33600 440.0 3.293 6.258 3.313 0.000 0.000 0.000 3/33600 450.0 3.213 6.110 3.233 0.000 0.000 0.000 3/33600 460.0 3.137 5.969 3.157 0.000 0.000 0.000 3/33600 470.0 3.065 5.834 3.085 0.000 0.000 0.000 3/33600 480.0 2.996 5.705 3.016 0.000 0.000 0.000 3/33600 490.0 2.930 5.582 2.950 0.000 0.000 0.000 3/33600 500.0 2.867 5.465 2.887 0.000 0.000 0.000 3/33600 510.0 2.807 5.352 2.826 0.000 0.000 0.000 3/33600 520.0 2.749 5.244 2.768 0.000 0.000 0.000 3/33600 530.0 2.694 5.141 2.713 0.000 0.000 0.000 3/33600 540.0 2.640 5.041 2.660 0.000 0.000 0.000 3/33600 550.0 2.589 4.945 2.609 0.000 0.000 0.000 3/33600 560.0 2.540 4.853 2.559 0.000 0.000 0.000 3/33600 570.0 2.493 4.765 2.512 0.000 0.000 0.000 3/33600 580.0 2.448 4.680 2.467 0.000 0.000 0.000 3/33600 590.0 2.404 4.597 2.423 0.000 0.000 0.000 3/33600 600.0 2.362 4.518 2.380 0.000 0.000 0.000 3/33600 610.0 2.321 4.441 2.339 0.000 0.000 0.000 3/33600 620.0 2.282 4.367 2.300 0.000 0.000 0.000 3/33600 630.0 2.244 4.296 2.262 0.000 0.000 0.000 3/33600 640.0 2.207 4.227 2.225 0.000 0.000 0.000 3/33600 650.0 2.172 4.160 2.189 0.000 0.000 0.000 3/33600 660.0 2.137 4.095 2.155 0.000 0.000 0.000 3/33600 670.0 2.104 4.032 2.122 0.000 0.000 0.000 3/33600 680.0 2.072 3.971 2.089 0.000 0.000 0.000 3/33600 690.0 2.041 3.912 2.058 0.000 0.000 0.000 3/33600 700.0 2.010 3.855 2.027 0.000 0.000 0.000 3/33600 710.0 1.981 3.799 1.998 0.000 0.000 0.000 3/33600 720.0 1.953 3.745 1.969 0.000 0.000 0.000 3/33600 730.0 1.925 3.692 1.941 0.000 0.000 0.000 3/33600 740.0 1.898 3.641 1.914 0.000 0.000 0.000 3/33600 750.0 1.872 3.592 1.888 0.000 0.000 0.000 3/33600 760.0 1.846 3.543 1.862 0.000 0.000 0.000 3/33600 770.0 1.822 3.497 1.837 0.000 0.000 0.000 3/33600 780.0 1.797 3.451 1.813 0.000 0.000 0.000 3/33600 790.0 1.774 3.406 1.790 0.000 0.000 0.000 3/33600 800.0 1.751 3.363 1.767 0.000 0.000 0.000 3/33600 810.0 1.729 3.321 1.744 0.000 0.000 0.000 3/33600 820.0 1.707 3.279 1.722 0.000 0.000 0.000 3/33600 830.0 1.686 3.239 1.701 0.000 0.000 0.000 3/33600 840.0 1.665 3.200 1.680 0.000 0.000 0.000 3/33600 850.0 1.645 3.162 1.660 0.000 0.000 0.000 3/33600 860.0 1.626 3.124 1.640 0.000 0.000 0.000 3/33600 870.0 1.607 3.088 1.621 0.000 0.000 0.000 3/33600 880.0 1.588 3.052 1.602 0.000 0.000 0.000 3/33600 890.0 1.570 3.017 1.584 0.000 0.000 0.000 3/33600 900.0 1.552 2.983 1.566 0.000 0.000 0.000 3/33600 910.0 1.534 2.950 1.548 0.000 0.000 0.000 3/33600 920.0 1.517 2.917 1.531 0.000 0.000 0.000 3/33600 930.0 1.501 2.886 1.514 0.000 0.000 0.000 3/33600 940.0 1.484 2.855 1.498 0.000 0.000 0.000 3/33600 950.0 1.468 2.824 1.482 0.000 0.000 0.000 3/33600 960.0 1.453 2.794 1.466 0.000 0.000 0.000 3/33600 970.0 1.437 2.765 1.451 0.000 0.000 0.000 3/33600 980.0 1.422 2.737 1.436 0.000 0.000 0.000 3/33600 990.0 1.408 2.709 1.421 0.000 0.000 0.000 3/33600 1000.0 1.394 2.681 1.407 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:20:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|