----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:31:34]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.544105834999998 -3.574836139999999 0.000000000000000 b 10.544105834999998 3.574836139999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): *1 Al 0.41549932651864 0.41549932651864 0.00000000000000 26.982 2 Al 0.08450067348136 0.08450067348136 0.50000000000000 26.982 3 Al 0.58450067348136 0.58450067348136 0.00000000000000 26.982 4 Al 0.91549932651864 0.91549932651864 0.50000000000000 26.982 *5 Sb 0.36126323283270 0.95578556640001 0.38035273864425 121.760 6 Sb 0.54421443359999 0.13873676716730 0.11964726135575 121.760 7 Sb 0.13873676716730 0.54421443359999 0.88035273864425 121.760 8 Sb 0.95578556640001 0.36126323283270 0.61964726135575 121.760 9 Sb 0.63873676716730 0.04421443359999 0.61964726135575 121.760 10 Sb 0.45578556640001 0.86126323283270 0.88035273864425 121.760 11 Sb 0.86126323283270 0.45578556640001 0.11964726135575 121.760 12 Sb 0.04421443359999 0.63873676716730 0.38035273864425 121.760 *13 Sb 0.70521777986394 0.29478222013606 0.89724605689119 121.760 14 Sb 0.20521777986394 0.79478222013606 0.60275394310881 121.760 15 Sb 0.79478222013606 0.20521777986394 0.39724605689119 121.760 16 Sb 0.29478222013606 0.70521777986394 0.10275394310881 121.760 *17 Ba 0.87277176769473 0.47749559855584 0.37046018585835 137.327 18 Ba 0.02250440144416 0.62722823230527 0.12953981414165 137.327 19 Ba 0.62722823230527 0.02250440144416 0.87046018585835 137.327 20 Ba 0.47749559855584 0.87277176769473 0.62953981414165 137.327 21 Ba 0.12722823230527 0.52250440144416 0.62953981414165 137.327 22 Ba 0.97749559855584 0.37277176769473 0.87046018585835 137.327 23 Ba 0.37277176769473 0.97749559855584 0.12953981414165 137.327 24 Ba 0.52250440144416 0.12722823230527 0.37046018585835 137.327 *25 Ba 0.81569399913443 0.18430600086557 0.14830592402819 137.327 26 Ba 0.31569399913443 0.68430600086557 0.35169407597181 137.327 27 Ba 0.68430600086557 0.31569399913443 0.64830592402819 137.327 28 Ba 0.18430600086557 0.81569399913443 0.85169407597181 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 21.088211669999996 0.000000000000000 0.000000000000000 b 0.000000000000000 7.149672279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): *1 Al 0.41549932651864 0.00000000000000 0.00000000000000 26.982 > 1 2 Al 0.08450067348136 0.00000000000000 0.50000000000000 26.982 > 2 3 Al 0.08450067348136 0.50000000000000 0.00000000000000 26.982 > 3 4 Al 0.41549932651864 0.50000000000000 0.50000000000000 26.982 > 4 5 Al 0.91549932651864 0.50000000000000 0.00000000000000 26.982 > 1 6 Al 0.58450067348136 0.50000000000000 0.50000000000000 26.982 > 2 7 Al 0.58450067348136 0.00000000000000 0.00000000000000 26.982 > 3 8 Al 0.91549932651864 0.00000000000000 0.50000000000000 26.982 > 4 *9 Sb 0.15852439961636 0.79726116678366 0.38035273864425 121.760 > 5 10 Sb 0.34147560038364 0.79726116678366 0.11964726135575 121.760 > 6 11 Sb 0.34147560038364 0.20273883321634 0.88035273864425 121.760 > 7 12 Sb 0.15852439961636 0.20273883321634 0.61964726135575 121.760 > 8 13 Sb 0.34147560038364 0.70273883321634 0.61964726135575 121.760 > 9 14 Sb 0.15852439961636 0.70273883321634 0.88035273864425 121.760 > 10 15 Sb 0.15852439961636 0.29726116678366 0.11964726135575 121.760 > 11 16 Sb 0.34147560038364 0.29726116678366 0.38035273864425 121.760 > 12 *17 Sb 0.00000000000000 0.29478222013606 0.89724605689119 121.760 > 13 18 Sb 0.00000000000000 0.79478222013606 0.60275394310881 121.760 > 14 19 Sb 0.00000000000000 0.20521777986394 0.39724605689119 121.760 > 15 20 Sb 0.00000000000000 0.70521777986394 0.10275394310881 121.760 > 16 21 Sb 0.65852439961636 0.29726116678366 0.38035273864425 121.760 > 5 22 Sb 0.84147560038364 0.29726116678366 0.11964726135575 121.760 > 6 23 Sb 0.84147560038364 0.70273883321634 0.88035273864425 121.760 > 7 24 Sb 0.65852439961636 0.70273883321634 0.61964726135575 121.760 > 8 25 Sb 0.84147560038364 0.20273883321634 0.61964726135575 121.760 > 9 26 Sb 0.65852439961636 0.20273883321634 0.88035273864425 121.760 > 10 27 Sb 0.65852439961636 0.79726116678366 0.11964726135575 121.760 > 11 28 Sb 0.84147560038364 0.79726116678366 0.38035273864425 121.760 > 12 29 Sb 0.50000000000000 0.79478222013606 0.89724605689119 121.760 > 13 30 Sb 0.50000000000000 0.29478222013606 0.60275394310881 121.760 > 14 31 Sb 0.50000000000000 0.70521777986394 0.39724605689119 121.760 > 15 32 Sb 0.50000000000000 0.20521777986394 0.10275394310881 121.760 > 16 *33 Ba 0.17513368312528 0.30236191543056 0.37046018585835 137.327 > 17 34 Ba 0.32486631687472 0.30236191543056 0.12953981414165 137.327 > 18 35 Ba 0.32486631687472 0.69763808456944 0.87046018585835 137.327 > 19 36 Ba 0.17513368312528 0.69763808456944 0.62953981414165 137.327 > 20 37 Ba 0.32486631687472 0.19763808456945 0.62953981414165 137.327 > 21 38 Ba 0.17513368312528 0.19763808456945 0.87046018585835 137.327 > 22 39 Ba 0.17513368312528 0.80236191543056 0.12953981414165 137.327 > 23 40 Ba 0.32486631687472 0.80236191543056 0.37046018585835 137.327 > 24 *41 Ba 0.00000000000000 0.18430600086557 0.14830592402819 137.327 > 25 42 Ba 0.00000000000000 0.68430600086557 0.35169407597181 137.327 > 26 43 Ba 0.00000000000000 0.31569399913443 0.64830592402819 137.327 > 27 44 Ba 0.00000000000000 0.81569399913443 0.85169407597181 137.327 > 28 45 Ba 0.67513368312528 0.80236191543056 0.37046018585835 137.327 > 17 46 Ba 0.82486631687472 0.80236191543056 0.12953981414165 137.327 > 18 47 Ba 0.82486631687472 0.19763808456945 0.87046018585835 137.327 > 19 48 Ba 0.67513368312528 0.19763808456945 0.62953981414165 137.327 > 20 49 Ba 0.82486631687472 0.69763808456944 0.62953981414165 137.327 > 21 50 Ba 0.67513368312528 0.69763808456944 0.87046018585835 137.327 > 22 51 Ba 0.67513368312528 0.30236191543056 0.12953981414165 137.327 > 23 52 Ba 0.82486631687472 0.30236191543056 0.37046018585835 137.327 > 24 53 Ba 0.50000000000000 0.68430600086557 0.14830592402819 137.327 > 25 54 Ba 0.50000000000000 0.18430600086557 0.35169407597181 137.327 > 26 55 Ba 0.50000000000000 0.81569399913443 0.64830592402819 137.327 > 27 56 Ba 0.50000000000000 0.31569399913443 0.85169407597181 137.327 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.088211669999996 0.000000000000000 0.000000000000000 b 0.000000000000000 14.299344559999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): *1 Al 0.41549932651864 0.00000000000000 0.00000000000000 26.982 > 1 2 Al 0.41549932651864 0.50000000000000 0.00000000000000 26.982 > 1 3 Al 0.08450067348136 0.00000000000000 0.50000000000000 26.982 > 2 4 Al 0.08450067348136 0.50000000000000 0.50000000000000 26.982 > 2 5 Al 0.08450067348136 0.25000000000000 0.00000000000000 26.982 > 3 6 Al 0.08450067348136 0.75000000000000 0.00000000000000 26.982 > 3 7 Al 0.41549932651864 0.25000000000000 0.50000000000000 26.982 > 4 8 Al 0.41549932651864 0.75000000000000 0.50000000000000 26.982 > 4 9 Al 0.91549932651864 0.25000000000000 0.00000000000000 26.982 > 1 10 Al 0.91549932651864 0.75000000000000 0.00000000000000 26.982 > 1 11 Al 0.58450067348136 0.25000000000000 0.50000000000000 26.982 > 2 12 Al 0.58450067348136 0.75000000000000 0.50000000000000 26.982 > 2 13 Al 0.58450067348136 0.00000000000000 0.00000000000000 26.982 > 3 14 Al 0.58450067348136 0.50000000000000 0.00000000000000 26.982 > 3 15 Al 0.91549932651864 0.00000000000000 0.50000000000000 26.982 > 4 16 Al 0.91549932651864 0.50000000000000 0.50000000000000 26.982 > 4 *17 Sb 0.15852439961636 0.39863058339183 0.38035273864425 121.760 > 5 18 Sb 0.15852439961636 0.89863058339183 0.38035273864425 121.760 > 5 19 Sb 0.34147560038364 0.39863058339183 0.11964726135575 121.760 > 6 20 Sb 0.34147560038364 0.89863058339183 0.11964726135575 121.760 > 6 21 Sb 0.34147560038364 0.10136941660817 0.88035273864425 121.760 > 7 22 Sb 0.34147560038364 0.60136941660817 0.88035273864425 121.760 > 7 23 Sb 0.15852439961636 0.10136941660817 0.61964726135575 121.760 > 8 24 Sb 0.15852439961636 0.60136941660817 0.61964726135575 121.760 > 8 25 Sb 0.34147560038364 0.35136941660817 0.61964726135575 121.760 > 9 26 Sb 0.34147560038364 0.85136941660817 0.61964726135575 121.760 > 9 27 Sb 0.15852439961636 0.35136941660817 0.88035273864425 121.760 > 10 28 Sb 0.15852439961636 0.85136941660817 0.88035273864425 121.760 > 10 29 Sb 0.15852439961636 0.14863058339183 0.11964726135575 121.760 > 11 30 Sb 0.15852439961636 0.64863058339183 0.11964726135575 121.760 > 11 31 Sb 0.34147560038364 0.14863058339183 0.38035273864425 121.760 > 12 32 Sb 0.34147560038364 0.64863058339183 0.38035273864425 121.760 > 12 *33 Sb 0.00000000000000 0.14739111006803 0.89724605689119 121.760 > 13 34 Sb 0.00000000000000 0.64739111006803 0.89724605689119 121.760 > 13 35 Sb 0.00000000000000 0.39739111006803 0.60275394310881 121.760 > 14 36 Sb 0.00000000000000 0.89739111006803 0.60275394310881 121.760 > 14 37 Sb 0.00000000000000 0.10260888993197 0.39724605689119 121.760 > 15 38 Sb 0.00000000000000 0.60260888993197 0.39724605689119 121.760 > 15 39 Sb 0.00000000000000 0.35260888993197 0.10275394310881 121.760 > 16 40 Sb 0.00000000000000 0.85260888993197 0.10275394310881 121.760 > 16 41 Sb 0.65852439961636 0.14863058339183 0.38035273864425 121.760 > 5 42 Sb 0.65852439961636 0.64863058339183 0.38035273864425 121.760 > 5 43 Sb 0.84147560038364 0.14863058339183 0.11964726135575 121.760 > 6 44 Sb 0.84147560038364 0.64863058339183 0.11964726135575 121.760 > 6 45 Sb 0.84147560038364 0.35136941660817 0.88035273864425 121.760 > 7 46 Sb 0.84147560038364 0.85136941660817 0.88035273864425 121.760 > 7 47 Sb 0.65852439961636 0.35136941660817 0.61964726135575 121.760 > 8 48 Sb 0.65852439961636 0.85136941660817 0.61964726135575 121.760 > 8 49 Sb 0.84147560038364 0.10136941660817 0.61964726135575 121.760 > 9 50 Sb 0.84147560038364 0.60136941660817 0.61964726135575 121.760 > 9 51 Sb 0.65852439961636 0.10136941660817 0.88035273864425 121.760 > 10 52 Sb 0.65852439961636 0.60136941660817 0.88035273864425 121.760 > 10 53 Sb 0.65852439961636 0.39863058339183 0.11964726135575 121.760 > 11 54 Sb 0.65852439961636 0.89863058339183 0.11964726135575 121.760 > 11 55 Sb 0.84147560038364 0.39863058339183 0.38035273864425 121.760 > 12 56 Sb 0.84147560038364 0.89863058339183 0.38035273864425 121.760 > 12 57 Sb 0.50000000000000 0.39739111006803 0.89724605689119 121.760 > 13 58 Sb 0.50000000000000 0.89739111006803 0.89724605689119 121.760 > 13 59 Sb 0.50000000000000 0.14739111006803 0.60275394310881 121.760 > 14 60 Sb 0.50000000000000 0.64739111006803 0.60275394310881 121.760 > 14 61 Sb 0.50000000000000 0.35260888993197 0.39724605689119 121.760 > 15 62 Sb 0.50000000000000 0.85260888993197 0.39724605689119 121.760 > 15 63 Sb 0.50000000000000 0.10260888993197 0.10275394310881 121.760 > 16 64 Sb 0.50000000000000 0.60260888993197 0.10275394310881 121.760 > 16 *65 Ba 0.17513368312528 0.15118095771528 0.37046018585835 137.327 > 17 66 Ba 0.17513368312528 0.65118095771528 0.37046018585835 137.327 > 17 67 Ba 0.32486631687472 0.15118095771528 0.12953981414165 137.327 > 18 68 Ba 0.32486631687472 0.65118095771528 0.12953981414165 137.327 > 18 69 Ba 0.32486631687472 0.34881904228472 0.87046018585835 137.327 > 19 70 Ba 0.32486631687472 0.84881904228472 0.87046018585835 137.327 > 19 71 Ba 0.17513368312528 0.34881904228472 0.62953981414165 137.327 > 20 72 Ba 0.17513368312528 0.84881904228472 0.62953981414165 137.327 > 20 73 Ba 0.32486631687472 0.09881904228472 0.62953981414165 137.327 > 21 74 Ba 0.32486631687472 0.59881904228472 0.62953981414165 137.327 > 21 75 Ba 0.17513368312528 0.09881904228472 0.87046018585835 137.327 > 22 76 Ba 0.17513368312528 0.59881904228472 0.87046018585835 137.327 > 22 77 Ba 0.17513368312528 0.40118095771528 0.12953981414165 137.327 > 23 78 Ba 0.17513368312528 0.90118095771528 0.12953981414165 137.327 > 23 79 Ba 0.32486631687472 0.40118095771528 0.37046018585835 137.327 > 24 80 Ba 0.32486631687472 0.90118095771528 0.37046018585835 137.327 > 24 *81 Ba 0.00000000000000 0.09215300043279 0.14830592402819 137.327 > 25 82 Ba 0.00000000000000 0.59215300043279 0.14830592402819 137.327 > 25 83 Ba 0.00000000000000 0.34215300043279 0.35169407597181 137.327 > 26 84 Ba 0.00000000000000 0.84215300043279 0.35169407597181 137.327 > 26 85 Ba 0.00000000000000 0.15784699956721 0.64830592402819 137.327 > 27 86 Ba 0.00000000000000 0.65784699956721 0.64830592402819 137.327 > 27 87 Ba 0.00000000000000 0.40784699956721 0.85169407597181 137.327 > 28 88 Ba 0.00000000000000 0.90784699956721 0.85169407597181 137.327 > 28 89 Ba 0.67513368312528 0.40118095771528 0.37046018585835 137.327 > 17 90 Ba 0.67513368312528 0.90118095771528 0.37046018585835 137.327 > 17 91 Ba 0.82486631687472 0.40118095771528 0.12953981414165 137.327 > 18 92 Ba 0.82486631687472 0.90118095771528 0.12953981414165 137.327 > 18 93 Ba 0.82486631687472 0.09881904228472 0.87046018585835 137.327 > 19 94 Ba 0.82486631687472 0.59881904228472 0.87046018585835 137.327 > 19 95 Ba 0.67513368312528 0.09881904228472 0.62953981414165 137.327 > 20 96 Ba 0.67513368312528 0.59881904228472 0.62953981414165 137.327 > 20 97 Ba 0.82486631687472 0.34881904228472 0.62953981414165 137.327 > 21 98 Ba 0.82486631687472 0.84881904228472 0.62953981414165 137.327 > 21 99 Ba 0.67513368312528 0.34881904228472 0.87046018585835 137.327 > 22 100 Ba 0.67513368312528 0.84881904228472 0.87046018585835 137.327 > 22 101 Ba 0.67513368312528 0.15118095771528 0.12953981414165 137.327 > 23 102 Ba 0.67513368312528 0.65118095771528 0.12953981414165 137.327 > 23 103 Ba 0.82486631687472 0.15118095771528 0.37046018585835 137.327 > 24 104 Ba 0.82486631687472 0.65118095771528 0.37046018585835 137.327 > 24 105 Ba 0.50000000000000 0.34215300043279 0.14830592402819 137.327 > 25 106 Ba 0.50000000000000 0.84215300043279 0.14830592402819 137.327 > 25 107 Ba 0.50000000000000 0.09215300043279 0.35169407597181 137.327 > 26 108 Ba 0.50000000000000 0.59215300043279 0.35169407597181 137.327 > 26 109 Ba 0.50000000000000 0.40784699956721 0.64830592402819 137.327 > 27 110 Ba 0.50000000000000 0.90784699956721 0.64830592402819 137.327 > 27 111 Ba 0.50000000000000 0.15784699956721 0.85169407597181 137.327 > 28 112 Ba 0.50000000000000 0.65784699956721 0.85169407597181 137.327 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.7287305 0.0000000 0.0000000 0.0000000 15.2000373 0.0000000 0.0000000 0.0000000 17.7175432 -------------------------- Born effective charges -------------------------- 1 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 -0.2415039 0.0000000 -0.4079436 1.9988196 2 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 0.2415039 0.0000000 0.4079436 1.9988196 3 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 -0.2415039 0.0000000 -0.4079436 1.9988196 4 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 0.2415039 0.0000000 0.4079436 1.9988196 5 Sb -3.9106355 0.2923844 0.5212342 0.3222559 -4.2972721 -0.1130966 0.9967814 0.0399531 -4.9531518 6 Sb -3.9106355 -0.2923844 0.5212342 -0.3222559 -4.2972721 0.1130966 0.9967814 -0.0399531 -4.9531518 7 Sb -3.9106355 0.2923844 -0.5212342 0.3222559 -4.2972721 0.1130966 -0.9967814 -0.0399531 -4.9531518 8 Sb -3.9106355 -0.2923844 -0.5212342 -0.3222559 -4.2972721 -0.1130966 -0.9967814 0.0399531 -4.9531518 9 Sb -3.9106355 0.2923844 0.5212342 0.3222559 -4.2972721 -0.1130966 0.9967814 0.0399531 -4.9531518 10 Sb -3.9106355 -0.2923844 0.5212342 -0.3222559 -4.2972721 0.1130966 0.9967814 -0.0399531 -4.9531518 11 Sb -3.9106355 0.2923844 -0.5212342 0.3222559 -4.2972721 0.1130966 -0.9967814 -0.0399531 -4.9531518 12 Sb -3.9106355 -0.2923844 -0.5212342 -0.3222559 -4.2972721 -0.1130966 -0.9967814 0.0399531 -4.9531518 13 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 -0.4295822 0.0000000 -0.4126594 -2.5686598 14 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 0.4295822 0.0000000 0.4126594 -2.5686598 15 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 0.4295822 0.0000000 0.4126594 -2.5686598 16 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 -0.4295822 0.0000000 -0.4126594 -2.5686598 17 Ba 3.2515792 0.0357775 0.0962207 0.6344394 3.5850125 -0.6842538 -0.1089213 -0.1135864 3.8579371 18 Ba 3.2515792 -0.0357775 0.0962207 -0.6344394 3.5850125 0.6842538 -0.1089213 0.1135864 3.8579371 19 Ba 3.2515792 0.0357775 -0.0962207 0.6344394 3.5850125 0.6842538 0.1089213 0.1135864 3.8579371 20 Ba 3.2515792 -0.0357775 -0.0962207 -0.6344394 3.5850125 -0.6842538 0.1089213 -0.1135864 3.8579371 21 Ba 3.2515792 0.0357775 0.0962207 0.6344394 3.5850125 -0.6842538 -0.1089213 -0.1135864 3.8579371 22 Ba 3.2515792 -0.0357775 0.0962207 -0.6344394 3.5850125 0.6842538 -0.1089213 0.1135864 3.8579371 23 Ba 3.2515792 0.0357775 -0.0962207 0.6344394 3.5850125 0.6842538 0.1089213 0.1135864 3.8579371 24 Ba 3.2515792 -0.0357775 -0.0962207 -0.6344394 3.5850125 -0.6842538 0.1089213 -0.1135864 3.8579371 25 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 -0.7049880 0.0000000 -0.1812244 2.7602694 26 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 0.7049880 0.0000000 0.1812244 2.7602694 27 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 0.7049880 0.0000000 0.1812244 2.7602694 28 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 -0.7049880 0.0000000 -0.1812244 2.7602694 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 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: - (1908, 1875), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 418), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.138 Solver_block: 200 / 480 - Time: 3.115 Solver_block: 300 / 480 - Time: 3.144 Solver_block: 400 / 480 - Time: 3.129 Solver_block: 480 / 480 - Time: 3.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.344 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 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: - (1908, 1875), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 418), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:32:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:32:22]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.544105834999998 -3.574836139999999 0.000000000000000 b 10.544105834999998 3.574836139999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): 1 Al 0.41549932651864 0.41549932651864 0.00000000000000 26.982 2 Al 0.08450067348136 0.08450067348136 0.50000000000000 26.982 3 Al 0.58450067348136 0.58450067348136 0.00000000000000 26.982 4 Al 0.91549932651864 0.91549932651864 0.50000000000000 26.982 5 Sb 0.36126323283270 0.95578556640001 0.38035273864425 121.760 6 Sb 0.54421443359999 0.13873676716730 0.11964726135575 121.760 7 Sb 0.13873676716730 0.54421443359999 0.88035273864425 121.760 8 Sb 0.95578556640001 0.36126323283270 0.61964726135575 121.760 9 Sb 0.63873676716730 0.04421443359999 0.61964726135575 121.760 10 Sb 0.45578556640001 0.86126323283270 0.88035273864425 121.760 11 Sb 0.86126323283270 0.45578556640001 0.11964726135575 121.760 12 Sb 0.04421443359999 0.63873676716730 0.38035273864425 121.760 13 Sb 0.70521777986394 0.29478222013606 0.89724605689119 121.760 14 Sb 0.20521777986394 0.79478222013606 0.60275394310881 121.760 15 Sb 0.79478222013606 0.20521777986394 0.39724605689119 121.760 16 Sb 0.29478222013606 0.70521777986394 0.10275394310881 121.760 17 Ba 0.87277176769473 0.47749559855584 0.37046018585835 137.327 18 Ba 0.02250440144416 0.62722823230527 0.12953981414165 137.327 19 Ba 0.62722823230527 0.02250440144416 0.87046018585835 137.327 20 Ba 0.47749559855584 0.87277176769473 0.62953981414165 137.327 21 Ba 0.12722823230527 0.52250440144416 0.62953981414165 137.327 22 Ba 0.97749559855584 0.37277176769473 0.87046018585835 137.327 23 Ba 0.37277176769473 0.97749559855584 0.12953981414165 137.327 24 Ba 0.52250440144416 0.12722823230527 0.37046018585835 137.327 25 Ba 0.81569399913443 0.18430600086557 0.14830592402819 137.327 26 Ba 0.31569399913443 0.68430600086557 0.35169407597181 137.327 27 Ba 0.68430600086557 0.31569399913443 0.64830592402819 137.327 28 Ba 0.18430600086557 0.81569399913443 0.85169407597181 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.088211669999996 0.000000000000000 0.000000000000000 b 0.000000000000000 14.299344559999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): 1 Al 0.41549932651864 0.00000000000000 0.00000000000000 26.982 > 1 2 Al 0.41549932651864 0.50000000000000 0.00000000000000 26.982 > 1 3 Al 0.08450067348136 0.00000000000000 0.50000000000000 26.982 > 3 4 Al 0.08450067348136 0.50000000000000 0.50000000000000 26.982 > 3 5 Al 0.08450067348136 0.25000000000000 0.00000000000000 26.982 > 5 6 Al 0.08450067348136 0.75000000000000 0.00000000000000 26.982 > 5 7 Al 0.41549932651864 0.25000000000000 0.50000000000000 26.982 > 7 8 Al 0.41549932651864 0.75000000000000 0.50000000000000 26.982 > 7 9 Al 0.91549932651864 0.25000000000000 0.00000000000000 26.982 > 1 10 Al 0.91549932651864 0.75000000000000 0.00000000000000 26.982 > 1 11 Al 0.58450067348136 0.25000000000000 0.50000000000000 26.982 > 3 12 Al 0.58450067348136 0.75000000000000 0.50000000000000 26.982 > 3 13 Al 0.58450067348136 0.00000000000000 0.00000000000000 26.982 > 5 14 Al 0.58450067348136 0.50000000000000 0.00000000000000 26.982 > 5 15 Al 0.91549932651864 0.00000000000000 0.50000000000000 26.982 > 7 16 Al 0.91549932651864 0.50000000000000 0.50000000000000 26.982 > 7 17 Sb 0.15852439961636 0.39863058339183 0.38035273864425 121.760 > 17 18 Sb 0.15852439961636 0.89863058339183 0.38035273864425 121.760 > 17 19 Sb 0.34147560038364 0.39863058339183 0.11964726135575 121.760 > 19 20 Sb 0.34147560038364 0.89863058339183 0.11964726135575 121.760 > 19 21 Sb 0.34147560038364 0.10136941660817 0.88035273864425 121.760 > 21 22 Sb 0.34147560038364 0.60136941660817 0.88035273864425 121.760 > 21 23 Sb 0.15852439961636 0.10136941660817 0.61964726135575 121.760 > 23 24 Sb 0.15852439961636 0.60136941660817 0.61964726135575 121.760 > 23 25 Sb 0.34147560038364 0.35136941660817 0.61964726135575 121.760 > 25 26 Sb 0.34147560038364 0.85136941660817 0.61964726135575 121.760 > 25 27 Sb 0.15852439961636 0.35136941660817 0.88035273864425 121.760 > 27 28 Sb 0.15852439961636 0.85136941660817 0.88035273864425 121.760 > 27 29 Sb 0.15852439961636 0.14863058339183 0.11964726135575 121.760 > 29 30 Sb 0.15852439961636 0.64863058339183 0.11964726135575 121.760 > 29 31 Sb 0.34147560038364 0.14863058339183 0.38035273864425 121.760 > 31 32 Sb 0.34147560038364 0.64863058339183 0.38035273864425 121.760 > 31 33 Sb 0.00000000000000 0.14739111006803 0.89724605689119 121.760 > 33 34 Sb 0.00000000000000 0.64739111006803 0.89724605689119 121.760 > 33 35 Sb 0.00000000000000 0.39739111006803 0.60275394310881 121.760 > 35 36 Sb 0.00000000000000 0.89739111006803 0.60275394310881 121.760 > 35 37 Sb 0.00000000000000 0.10260888993197 0.39724605689119 121.760 > 37 38 Sb 0.00000000000000 0.60260888993197 0.39724605689119 121.760 > 37 39 Sb 0.00000000000000 0.35260888993197 0.10275394310881 121.760 > 39 40 Sb 0.00000000000000 0.85260888993197 0.10275394310881 121.760 > 39 41 Sb 0.65852439961636 0.14863058339183 0.38035273864425 121.760 > 17 42 Sb 0.65852439961636 0.64863058339183 0.38035273864425 121.760 > 17 43 Sb 0.84147560038364 0.14863058339183 0.11964726135575 121.760 > 19 44 Sb 0.84147560038364 0.64863058339183 0.11964726135575 121.760 > 19 45 Sb 0.84147560038364 0.35136941660817 0.88035273864425 121.760 > 21 46 Sb 0.84147560038364 0.85136941660817 0.88035273864425 121.760 > 21 47 Sb 0.65852439961636 0.35136941660817 0.61964726135575 121.760 > 23 48 Sb 0.65852439961636 0.85136941660817 0.61964726135575 121.760 > 23 49 Sb 0.84147560038364 0.10136941660817 0.61964726135575 121.760 > 25 50 Sb 0.84147560038364 0.60136941660817 0.61964726135575 121.760 > 25 51 Sb 0.65852439961636 0.10136941660817 0.88035273864425 121.760 > 27 52 Sb 0.65852439961636 0.60136941660817 0.88035273864425 121.760 > 27 53 Sb 0.65852439961636 0.39863058339183 0.11964726135575 121.760 > 29 54 Sb 0.65852439961636 0.89863058339183 0.11964726135575 121.760 > 29 55 Sb 0.84147560038364 0.39863058339183 0.38035273864425 121.760 > 31 56 Sb 0.84147560038364 0.89863058339183 0.38035273864425 121.760 > 31 57 Sb 0.50000000000000 0.39739111006803 0.89724605689119 121.760 > 33 58 Sb 0.50000000000000 0.89739111006803 0.89724605689119 121.760 > 33 59 Sb 0.50000000000000 0.14739111006803 0.60275394310881 121.760 > 35 60 Sb 0.50000000000000 0.64739111006803 0.60275394310881 121.760 > 35 61 Sb 0.50000000000000 0.35260888993197 0.39724605689119 121.760 > 37 62 Sb 0.50000000000000 0.85260888993197 0.39724605689119 121.760 > 37 63 Sb 0.50000000000000 0.10260888993197 0.10275394310881 121.760 > 39 64 Sb 0.50000000000000 0.60260888993197 0.10275394310881 121.760 > 39 65 Ba 0.17513368312528 0.15118095771528 0.37046018585835 137.327 > 65 66 Ba 0.17513368312528 0.65118095771528 0.37046018585835 137.327 > 65 67 Ba 0.32486631687472 0.15118095771528 0.12953981414165 137.327 > 67 68 Ba 0.32486631687472 0.65118095771528 0.12953981414165 137.327 > 67 69 Ba 0.32486631687472 0.34881904228472 0.87046018585835 137.327 > 69 70 Ba 0.32486631687472 0.84881904228472 0.87046018585835 137.327 > 69 71 Ba 0.17513368312528 0.34881904228472 0.62953981414165 137.327 > 71 72 Ba 0.17513368312528 0.84881904228472 0.62953981414165 137.327 > 71 73 Ba 0.32486631687472 0.09881904228472 0.62953981414165 137.327 > 73 74 Ba 0.32486631687472 0.59881904228472 0.62953981414165 137.327 > 73 75 Ba 0.17513368312528 0.09881904228472 0.87046018585835 137.327 > 75 76 Ba 0.17513368312528 0.59881904228472 0.87046018585835 137.327 > 75 77 Ba 0.17513368312528 0.40118095771528 0.12953981414165 137.327 > 77 78 Ba 0.17513368312528 0.90118095771528 0.12953981414165 137.327 > 77 79 Ba 0.32486631687472 0.40118095771528 0.37046018585835 137.327 > 79 80 Ba 0.32486631687472 0.90118095771528 0.37046018585835 137.327 > 79 81 Ba 0.00000000000000 0.09215300043279 0.14830592402819 137.327 > 81 82 Ba 0.00000000000000 0.59215300043279 0.14830592402819 137.327 > 81 83 Ba 0.00000000000000 0.34215300043279 0.35169407597181 137.327 > 83 84 Ba 0.00000000000000 0.84215300043279 0.35169407597181 137.327 > 83 85 Ba 0.00000000000000 0.15784699956721 0.64830592402819 137.327 > 85 86 Ba 0.00000000000000 0.65784699956721 0.64830592402819 137.327 > 85 87 Ba 0.00000000000000 0.40784699956721 0.85169407597181 137.327 > 87 88 Ba 0.00000000000000 0.90784699956721 0.85169407597181 137.327 > 87 89 Ba 0.67513368312528 0.40118095771528 0.37046018585835 137.327 > 65 90 Ba 0.67513368312528 0.90118095771528 0.37046018585835 137.327 > 65 91 Ba 0.82486631687472 0.40118095771528 0.12953981414165 137.327 > 67 92 Ba 0.82486631687472 0.90118095771528 0.12953981414165 137.327 > 67 93 Ba 0.82486631687472 0.09881904228472 0.87046018585835 137.327 > 69 94 Ba 0.82486631687472 0.59881904228472 0.87046018585835 137.327 > 69 95 Ba 0.67513368312528 0.09881904228472 0.62953981414165 137.327 > 71 96 Ba 0.67513368312528 0.59881904228472 0.62953981414165 137.327 > 71 97 Ba 0.82486631687472 0.34881904228472 0.62953981414165 137.327 > 73 98 Ba 0.82486631687472 0.84881904228472 0.62953981414165 137.327 > 73 99 Ba 0.67513368312528 0.34881904228472 0.87046018585835 137.327 > 75 100 Ba 0.67513368312528 0.84881904228472 0.87046018585835 137.327 > 75 101 Ba 0.67513368312528 0.15118095771528 0.12953981414165 137.327 > 77 102 Ba 0.67513368312528 0.65118095771528 0.12953981414165 137.327 > 77 103 Ba 0.82486631687472 0.15118095771528 0.37046018585835 137.327 > 79 104 Ba 0.82486631687472 0.65118095771528 0.37046018585835 137.327 > 79 105 Ba 0.50000000000000 0.34215300043279 0.14830592402819 137.327 > 81 106 Ba 0.50000000000000 0.84215300043279 0.14830592402819 137.327 > 81 107 Ba 0.50000000000000 0.09215300043279 0.35169407597181 137.327 > 83 108 Ba 0.50000000000000 0.59215300043279 0.35169407597181 137.327 > 83 109 Ba 0.50000000000000 0.40784699956721 0.64830592402819 137.327 > 85 110 Ba 0.50000000000000 0.90784699956721 0.64830592402819 137.327 > 85 111 Ba 0.50000000000000 0.15784699956721 0.85169407597181 137.327 > 87 112 Ba 0.50000000000000 0.65784699956721 0.85169407597181 137.327 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.7287305 0.0000000 0.0000000 0.0000000 15.2000373 0.0000000 0.0000000 0.0000000 17.7175432 -------------------------- Born effective charges -------------------------- 1 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 -0.2415039 0.0000000 -0.4079436 1.9988196 2 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 0.2415039 0.0000000 0.4079436 1.9988196 3 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 -0.2415039 0.0000000 -0.4079436 1.9988196 4 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 0.2415039 0.0000000 0.4079436 1.9988196 5 Sb -3.9106355 0.2923844 0.5212342 0.3222559 -4.2972721 -0.1130966 0.9967814 0.0399531 -4.9531518 6 Sb -3.9106355 -0.2923844 0.5212342 -0.3222559 -4.2972721 0.1130966 0.9967814 -0.0399531 -4.9531518 7 Sb -3.9106355 0.2923844 -0.5212342 0.3222559 -4.2972721 0.1130966 -0.9967814 -0.0399531 -4.9531518 8 Sb -3.9106355 -0.2923844 -0.5212342 -0.3222559 -4.2972721 -0.1130966 -0.9967814 0.0399531 -4.9531518 9 Sb -3.9106355 0.2923844 0.5212342 0.3222559 -4.2972721 -0.1130966 0.9967814 0.0399531 -4.9531518 10 Sb -3.9106355 -0.2923844 0.5212342 -0.3222559 -4.2972721 0.1130966 0.9967814 -0.0399531 -4.9531518 11 Sb -3.9106355 0.2923844 -0.5212342 0.3222559 -4.2972721 0.1130966 -0.9967814 -0.0399531 -4.9531518 12 Sb -3.9106355 -0.2923844 -0.5212342 -0.3222559 -4.2972721 -0.1130966 -0.9967814 0.0399531 -4.9531518 13 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 -0.4295822 0.0000000 -0.4126594 -2.5686598 14 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 0.4295822 0.0000000 0.4126594 -2.5686598 15 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 0.4295822 0.0000000 0.4126594 -2.5686598 16 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 -0.4295822 0.0000000 -0.4126594 -2.5686598 17 Ba 3.2515792 0.0357775 0.0962207 0.6344394 3.5850125 -0.6842538 -0.1089213 -0.1135864 3.8579371 18 Ba 3.2515792 -0.0357775 0.0962207 -0.6344394 3.5850125 0.6842538 -0.1089213 0.1135864 3.8579371 19 Ba 3.2515792 0.0357775 -0.0962207 0.6344394 3.5850125 0.6842538 0.1089213 0.1135864 3.8579371 20 Ba 3.2515792 -0.0357775 -0.0962207 -0.6344394 3.5850125 -0.6842538 0.1089213 -0.1135864 3.8579371 21 Ba 3.2515792 0.0357775 0.0962207 0.6344394 3.5850125 -0.6842538 -0.1089213 -0.1135864 3.8579371 22 Ba 3.2515792 -0.0357775 0.0962207 -0.6344394 3.5850125 0.6842538 -0.1089213 0.1135864 3.8579371 23 Ba 3.2515792 0.0357775 -0.0962207 0.6344394 3.5850125 0.6842538 0.1089213 0.1135864 3.8579371 24 Ba 3.2515792 -0.0357775 -0.0962207 -0.6344394 3.5850125 -0.6842538 0.1089213 -0.1135864 3.8579371 25 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 -0.7049880 0.0000000 -0.1812244 2.7602694 26 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 0.7049880 0.0000000 0.1812244 2.7602694 27 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 0.7049880 0.0000000 0.1812244 2.7602694 28 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 -0.7049880 0.0000000 -0.1812244 2.7602694 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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 (xyz) -0.00000000 (xyz) -0.00000000 (xzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:32:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:32:45]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.544105834999998 -3.574836139999999 0.000000000000000 b 10.544105834999998 3.574836139999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): 1 Al 0.41549932651864 0.41549932651864 0.00000000000000 26.982 2 Al 0.08450067348136 0.08450067348136 0.50000000000000 26.982 3 Al 0.58450067348136 0.58450067348136 0.00000000000000 26.982 4 Al 0.91549932651864 0.91549932651864 0.50000000000000 26.982 5 Sb 0.36126323283270 0.95578556640001 0.38035273864425 121.760 6 Sb 0.54421443359999 0.13873676716730 0.11964726135575 121.760 7 Sb 0.13873676716730 0.54421443359999 0.88035273864425 121.760 8 Sb 0.95578556640001 0.36126323283270 0.61964726135575 121.760 9 Sb 0.63873676716730 0.04421443359999 0.61964726135575 121.760 10 Sb 0.45578556640001 0.86126323283270 0.88035273864425 121.760 11 Sb 0.86126323283270 0.45578556640001 0.11964726135575 121.760 12 Sb 0.04421443359999 0.63873676716730 0.38035273864425 121.760 13 Sb 0.70521777986394 0.29478222013606 0.89724605689119 121.760 14 Sb 0.20521777986394 0.79478222013606 0.60275394310881 121.760 15 Sb 0.79478222013606 0.20521777986394 0.39724605689119 121.760 16 Sb 0.29478222013606 0.70521777986394 0.10275394310881 121.760 17 Ba 0.87277176769473 0.47749559855584 0.37046018585835 137.327 18 Ba 0.02250440144416 0.62722823230527 0.12953981414165 137.327 19 Ba 0.62722823230527 0.02250440144416 0.87046018585835 137.327 20 Ba 0.47749559855584 0.87277176769473 0.62953981414165 137.327 21 Ba 0.12722823230527 0.52250440144416 0.62953981414165 137.327 22 Ba 0.97749559855584 0.37277176769473 0.87046018585835 137.327 23 Ba 0.37277176769473 0.97749559855584 0.12953981414165 137.327 24 Ba 0.52250440144416 0.12722823230527 0.37046018585835 137.327 25 Ba 0.81569399913443 0.18430600086557 0.14830592402819 137.327 26 Ba 0.31569399913443 0.68430600086557 0.35169407597181 137.327 27 Ba 0.68430600086557 0.31569399913443 0.64830592402819 137.327 28 Ba 0.18430600086557 0.81569399913443 0.85169407597181 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.088211669999996 0.000000000000000 0.000000000000000 b 0.000000000000000 14.299344559999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.116018049999999 Atomic positions (fractional): 1 Al 0.41549932651864 0.00000000000000 0.00000000000000 26.982 > 1 2 Al 0.41549932651864 0.50000000000000 0.00000000000000 26.982 > 1 3 Al 0.08450067348136 0.00000000000000 0.50000000000000 26.982 > 3 4 Al 0.08450067348136 0.50000000000000 0.50000000000000 26.982 > 3 5 Al 0.08450067348136 0.25000000000000 0.00000000000000 26.982 > 5 6 Al 0.08450067348136 0.75000000000000 0.00000000000000 26.982 > 5 7 Al 0.41549932651864 0.25000000000000 0.50000000000000 26.982 > 7 8 Al 0.41549932651864 0.75000000000000 0.50000000000000 26.982 > 7 9 Al 0.91549932651864 0.25000000000000 0.00000000000000 26.982 > 1 10 Al 0.91549932651864 0.75000000000000 0.00000000000000 26.982 > 1 11 Al 0.58450067348136 0.25000000000000 0.50000000000000 26.982 > 3 12 Al 0.58450067348136 0.75000000000000 0.50000000000000 26.982 > 3 13 Al 0.58450067348136 0.00000000000000 0.00000000000000 26.982 > 5 14 Al 0.58450067348136 0.50000000000000 0.00000000000000 26.982 > 5 15 Al 0.91549932651864 0.00000000000000 0.50000000000000 26.982 > 7 16 Al 0.91549932651864 0.50000000000000 0.50000000000000 26.982 > 7 17 Sb 0.15852439961636 0.39863058339183 0.38035273864425 121.760 > 17 18 Sb 0.15852439961636 0.89863058339183 0.38035273864425 121.760 > 17 19 Sb 0.34147560038364 0.39863058339183 0.11964726135575 121.760 > 19 20 Sb 0.34147560038364 0.89863058339183 0.11964726135575 121.760 > 19 21 Sb 0.34147560038364 0.10136941660817 0.88035273864425 121.760 > 21 22 Sb 0.34147560038364 0.60136941660817 0.88035273864425 121.760 > 21 23 Sb 0.15852439961636 0.10136941660817 0.61964726135575 121.760 > 23 24 Sb 0.15852439961636 0.60136941660817 0.61964726135575 121.760 > 23 25 Sb 0.34147560038364 0.35136941660817 0.61964726135575 121.760 > 25 26 Sb 0.34147560038364 0.85136941660817 0.61964726135575 121.760 > 25 27 Sb 0.15852439961636 0.35136941660817 0.88035273864425 121.760 > 27 28 Sb 0.15852439961636 0.85136941660817 0.88035273864425 121.760 > 27 29 Sb 0.15852439961636 0.14863058339183 0.11964726135575 121.760 > 29 30 Sb 0.15852439961636 0.64863058339183 0.11964726135575 121.760 > 29 31 Sb 0.34147560038364 0.14863058339183 0.38035273864425 121.760 > 31 32 Sb 0.34147560038364 0.64863058339183 0.38035273864425 121.760 > 31 33 Sb 0.00000000000000 0.14739111006803 0.89724605689119 121.760 > 33 34 Sb 0.00000000000000 0.64739111006803 0.89724605689119 121.760 > 33 35 Sb 0.00000000000000 0.39739111006803 0.60275394310881 121.760 > 35 36 Sb 0.00000000000000 0.89739111006803 0.60275394310881 121.760 > 35 37 Sb 0.00000000000000 0.10260888993197 0.39724605689119 121.760 > 37 38 Sb 0.00000000000000 0.60260888993197 0.39724605689119 121.760 > 37 39 Sb 0.00000000000000 0.35260888993197 0.10275394310881 121.760 > 39 40 Sb 0.00000000000000 0.85260888993197 0.10275394310881 121.760 > 39 41 Sb 0.65852439961636 0.14863058339183 0.38035273864425 121.760 > 17 42 Sb 0.65852439961636 0.64863058339183 0.38035273864425 121.760 > 17 43 Sb 0.84147560038364 0.14863058339183 0.11964726135575 121.760 > 19 44 Sb 0.84147560038364 0.64863058339183 0.11964726135575 121.760 > 19 45 Sb 0.84147560038364 0.35136941660817 0.88035273864425 121.760 > 21 46 Sb 0.84147560038364 0.85136941660817 0.88035273864425 121.760 > 21 47 Sb 0.65852439961636 0.35136941660817 0.61964726135575 121.760 > 23 48 Sb 0.65852439961636 0.85136941660817 0.61964726135575 121.760 > 23 49 Sb 0.84147560038364 0.10136941660817 0.61964726135575 121.760 > 25 50 Sb 0.84147560038364 0.60136941660817 0.61964726135575 121.760 > 25 51 Sb 0.65852439961636 0.10136941660817 0.88035273864425 121.760 > 27 52 Sb 0.65852439961636 0.60136941660817 0.88035273864425 121.760 > 27 53 Sb 0.65852439961636 0.39863058339183 0.11964726135575 121.760 > 29 54 Sb 0.65852439961636 0.89863058339183 0.11964726135575 121.760 > 29 55 Sb 0.84147560038364 0.39863058339183 0.38035273864425 121.760 > 31 56 Sb 0.84147560038364 0.89863058339183 0.38035273864425 121.760 > 31 57 Sb 0.50000000000000 0.39739111006803 0.89724605689119 121.760 > 33 58 Sb 0.50000000000000 0.89739111006803 0.89724605689119 121.760 > 33 59 Sb 0.50000000000000 0.14739111006803 0.60275394310881 121.760 > 35 60 Sb 0.50000000000000 0.64739111006803 0.60275394310881 121.760 > 35 61 Sb 0.50000000000000 0.35260888993197 0.39724605689119 121.760 > 37 62 Sb 0.50000000000000 0.85260888993197 0.39724605689119 121.760 > 37 63 Sb 0.50000000000000 0.10260888993197 0.10275394310881 121.760 > 39 64 Sb 0.50000000000000 0.60260888993197 0.10275394310881 121.760 > 39 65 Ba 0.17513368312528 0.15118095771528 0.37046018585835 137.327 > 65 66 Ba 0.17513368312528 0.65118095771528 0.37046018585835 137.327 > 65 67 Ba 0.32486631687472 0.15118095771528 0.12953981414165 137.327 > 67 68 Ba 0.32486631687472 0.65118095771528 0.12953981414165 137.327 > 67 69 Ba 0.32486631687472 0.34881904228472 0.87046018585835 137.327 > 69 70 Ba 0.32486631687472 0.84881904228472 0.87046018585835 137.327 > 69 71 Ba 0.17513368312528 0.34881904228472 0.62953981414165 137.327 > 71 72 Ba 0.17513368312528 0.84881904228472 0.62953981414165 137.327 > 71 73 Ba 0.32486631687472 0.09881904228472 0.62953981414165 137.327 > 73 74 Ba 0.32486631687472 0.59881904228472 0.62953981414165 137.327 > 73 75 Ba 0.17513368312528 0.09881904228472 0.87046018585835 137.327 > 75 76 Ba 0.17513368312528 0.59881904228472 0.87046018585835 137.327 > 75 77 Ba 0.17513368312528 0.40118095771528 0.12953981414165 137.327 > 77 78 Ba 0.17513368312528 0.90118095771528 0.12953981414165 137.327 > 77 79 Ba 0.32486631687472 0.40118095771528 0.37046018585835 137.327 > 79 80 Ba 0.32486631687472 0.90118095771528 0.37046018585835 137.327 > 79 81 Ba 0.00000000000000 0.09215300043279 0.14830592402819 137.327 > 81 82 Ba 0.00000000000000 0.59215300043279 0.14830592402819 137.327 > 81 83 Ba 0.00000000000000 0.34215300043279 0.35169407597181 137.327 > 83 84 Ba 0.00000000000000 0.84215300043279 0.35169407597181 137.327 > 83 85 Ba 0.00000000000000 0.15784699956721 0.64830592402819 137.327 > 85 86 Ba 0.00000000000000 0.65784699956721 0.64830592402819 137.327 > 85 87 Ba 0.00000000000000 0.40784699956721 0.85169407597181 137.327 > 87 88 Ba 0.00000000000000 0.90784699956721 0.85169407597181 137.327 > 87 89 Ba 0.67513368312528 0.40118095771528 0.37046018585835 137.327 > 65 90 Ba 0.67513368312528 0.90118095771528 0.37046018585835 137.327 > 65 91 Ba 0.82486631687472 0.40118095771528 0.12953981414165 137.327 > 67 92 Ba 0.82486631687472 0.90118095771528 0.12953981414165 137.327 > 67 93 Ba 0.82486631687472 0.09881904228472 0.87046018585835 137.327 > 69 94 Ba 0.82486631687472 0.59881904228472 0.87046018585835 137.327 > 69 95 Ba 0.67513368312528 0.09881904228472 0.62953981414165 137.327 > 71 96 Ba 0.67513368312528 0.59881904228472 0.62953981414165 137.327 > 71 97 Ba 0.82486631687472 0.34881904228472 0.62953981414165 137.327 > 73 98 Ba 0.82486631687472 0.84881904228472 0.62953981414165 137.327 > 73 99 Ba 0.67513368312528 0.34881904228472 0.87046018585835 137.327 > 75 100 Ba 0.67513368312528 0.84881904228472 0.87046018585835 137.327 > 75 101 Ba 0.67513368312528 0.15118095771528 0.12953981414165 137.327 > 77 102 Ba 0.67513368312528 0.65118095771528 0.12953981414165 137.327 > 77 103 Ba 0.82486631687472 0.15118095771528 0.37046018585835 137.327 > 79 104 Ba 0.82486631687472 0.65118095771528 0.37046018585835 137.327 > 79 105 Ba 0.50000000000000 0.34215300043279 0.14830592402819 137.327 > 81 106 Ba 0.50000000000000 0.84215300043279 0.14830592402819 137.327 > 81 107 Ba 0.50000000000000 0.09215300043279 0.35169407597181 137.327 > 83 108 Ba 0.50000000000000 0.59215300043279 0.35169407597181 137.327 > 83 109 Ba 0.50000000000000 0.40784699956721 0.64830592402819 137.327 > 85 110 Ba 0.50000000000000 0.90784699956721 0.64830592402819 137.327 > 85 111 Ba 0.50000000000000 0.15784699956721 0.85169407597181 137.327 > 87 112 Ba 0.50000000000000 0.65784699956721 0.85169407597181 137.327 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.7287305 0.0000000 0.0000000 0.0000000 15.2000373 0.0000000 0.0000000 0.0000000 17.7175432 -------------------------- Born effective charges -------------------------- 1 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 -0.2415039 0.0000000 -0.4079436 1.9988196 2 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 0.2415039 0.0000000 0.4079436 1.9988196 3 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 -0.2415039 0.0000000 -0.4079436 1.9988196 4 Al 2.4639251 0.0000000 0.0000000 0.0000000 1.6985992 0.2415039 0.0000000 0.4079436 1.9988196 5 Sb -3.9106355 0.2923844 0.5212342 0.3222559 -4.2972721 -0.1130966 0.9967814 0.0399531 -4.9531518 6 Sb -3.9106355 -0.2923844 0.5212342 -0.3222559 -4.2972721 0.1130966 0.9967814 -0.0399531 -4.9531518 7 Sb -3.9106355 0.2923844 -0.5212342 0.3222559 -4.2972721 0.1130966 -0.9967814 -0.0399531 -4.9531518 8 Sb -3.9106355 -0.2923844 -0.5212342 -0.3222559 -4.2972721 -0.1130966 -0.9967814 0.0399531 -4.9531518 9 Sb -3.9106355 0.2923844 0.5212342 0.3222559 -4.2972721 -0.1130966 0.9967814 0.0399531 -4.9531518 10 Sb -3.9106355 -0.2923844 0.5212342 -0.3222559 -4.2972721 0.1130966 0.9967814 -0.0399531 -4.9531518 11 Sb -3.9106355 0.2923844 -0.5212342 0.3222559 -4.2972721 0.1130966 -0.9967814 -0.0399531 -4.9531518 12 Sb -3.9106355 -0.2923844 -0.5212342 -0.3222559 -4.2972721 -0.1130966 -0.9967814 0.0399531 -4.9531518 13 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 -0.4295822 0.0000000 -0.4126594 -2.5686598 14 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 0.4295822 0.0000000 0.4126594 -2.5686598 15 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 0.4295822 0.0000000 0.4126594 -2.5686598 16 Sb -3.5794348 0.0000000 0.0000000 0.0000000 -3.0779783 -0.4295822 0.0000000 -0.4126594 -2.5686598 17 Ba 3.2515792 0.0357775 0.0962207 0.6344394 3.5850125 -0.6842538 -0.1089213 -0.1135864 3.8579371 18 Ba 3.2515792 -0.0357775 0.0962207 -0.6344394 3.5850125 0.6842538 -0.1089213 0.1135864 3.8579371 19 Ba 3.2515792 0.0357775 -0.0962207 0.6344394 3.5850125 0.6842538 0.1089213 0.1135864 3.8579371 20 Ba 3.2515792 -0.0357775 -0.0962207 -0.6344394 3.5850125 -0.6842538 0.1089213 -0.1135864 3.8579371 21 Ba 3.2515792 0.0357775 0.0962207 0.6344394 3.5850125 -0.6842538 -0.1089213 -0.1135864 3.8579371 22 Ba 3.2515792 -0.0357775 0.0962207 -0.6344394 3.5850125 0.6842538 -0.1089213 0.1135864 3.8579371 23 Ba 3.2515792 0.0357775 -0.0962207 0.6344394 3.5850125 0.6842538 0.1089213 0.1135864 3.8579371 24 Ba 3.2515792 -0.0357775 -0.0962207 -0.6344394 3.5850125 -0.6842538 0.1089213 -0.1135864 3.8579371 25 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 -0.7049880 0.0000000 -0.1812244 2.7602694 26 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 0.7049880 0.0000000 0.1812244 2.7602694 27 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 0.7049880 0.0000000 0.1812244 2.7602694 28 Ba 2.4336223 0.0000000 0.0000000 0.0000000 2.8038983 -0.7049880 0.0000000 -0.1812244 2.7602694 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyz) -0.00000000 (xyz) -0.00000000 (xzy) 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 ... [ 7 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 313, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 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 0.695 ( 0.000 0.000 0.000) 0.000 0.708 ( 0.000 0.000 0.000) 0.000 0.815 ( 0.000 0.000 0.000) 0.000 0.866 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.631 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 4.781 -14.971 0.000) 15.716 0.366 ( 13.645 -13.378 0.000) 19.109 0.718 ( 6.114 -32.322 0.000) 32.896 0.793 ( 2.770 -7.710 0.000) 8.192 0.875 ( -0.142 -9.880 0.000) 9.881 0.908 ( 5.000 -10.770 0.000) 11.874 0.992 ( 2.573 -9.735 0.000) 10.069 1.229 ( 0.351 -1.676 0.000) 1.713 1.308 ( 0.031 -4.726 0.000) 4.726 1.328 ( -3.491 -3.996 0.000) 5.306 1.351 ( 1.794 -7.489 0.000) 7.701 1.374 ( -1.191 -5.189 0.000) 5.324 1.401 ( 3.785 -3.582 0.000) 5.211 1.464 ( -0.182 -1.648 0.000) 1.658 1.551 ( -0.530 2.098 0.000) 2.164 1.554 ( -6.146 -3.250 0.000) 6.952 1.655 ( -2.188 -3.495 0.000) 4.123 1.664 ( 3.660 -1.940 0.000) 4.142 1.701 ( -1.648 -0.674 0.000) 1.780 1.739 ( -1.274 0.616 0.000) 1.415 1.760 ( -1.254 -1.408 0.000) 1.885 1.809 ( 1.686 -1.008 0.000) 1.964 1.825 ( -0.175 -1.246 0.000) 1.258 1.850 ( 0.520 -2.048 0.000) 2.113 1.915 ( -0.387 -1.650 0.000) 1.695 1.916 ( 1.027 -2.526 0.000) 2.727 1.980 ( -2.085 -6.302 0.000) 6.637 2.033 ( 2.150 -3.846 0.000) 4.406 2.054 ( 0.346 -0.589 0.000) 0.683 2.060 ( -0.265 0.511 0.000) 0.575 2.117 ( 0.372 2.688 0.000) 2.714 2.193 ( -3.090 -3.740 0.000) 4.852 2.209 ( -3.515 -1.194 0.000) 3.712 2.218 ( 0.077 -2.575 0.000) 2.576 2.238 ( -1.694 -0.444 0.000) 1.751 2.303 ( 3.088 1.027 0.000) 3.254 2.318 ( -0.293 -0.224 0.000) 0.369 2.336 ( -3.467 0.396 0.000) 3.489 2.406 ( -1.962 -0.162 0.000) 1.969 2.416 ( -0.586 2.842 0.000) 2.901 2.426 ( 1.203 -5.535 0.000) 5.664 2.429 ( -1.131 3.779 0.000) 3.944 2.450 ( 1.692 -2.414 0.000) 2.948 2.524 ( -0.451 4.480 0.000) 4.503 2.576 ( -0.875 1.367 0.000) 1.623 2.588 ( -5.431 -1.006 0.000) 5.523 2.626 ( -3.230 -2.430 0.000) 4.042 2.631 ( -1.704 -5.490 0.000) 5.748 2.658 ( 4.642 -0.772 0.000) 4.706 2.676 ( -0.485 -3.258 0.000) 3.294 2.756 ( 5.964 1.642 0.000) 6.186 2.780 ( 0.780 -0.868 0.000) 1.167 2.797 ( -2.102 -6.249 0.000) 6.593 2.804 ( -0.146 -1.607 0.000) 1.613 2.841 ( -2.177 -0.711 0.000) 2.290 2.861 ( -0.583 3.448 0.000) 3.497 2.924 ( 2.268 -3.001 0.000) 3.761 2.928 ( -1.448 -2.131 0.000) 2.576 2.931 ( 0.435 -1.194 0.000) 1.271 3.016 ( 0.407 -1.463 0.000) 1.518 3.016 ( 1.159 -1.813 0.000) 2.152 3.038 ( 0.615 -2.510 0.000) 2.584 3.092 ( -4.836 -2.220 0.000) 5.321 3.144 ( 0.718 -1.730 0.000) 1.873 3.172 ( 3.693 -2.453 0.000) 4.433 3.198 ( 7.036 1.611 0.000) 7.218 3.237 ( -0.864 -1.083 0.000) 1.385 3.516 ( -6.682 1.560 0.000) 6.861 3.874 ( -0.230 0.144 0.000) 0.272 3.875 ( 2.573 1.188 0.000) 2.834 4.184 ( 0.713 -0.532 0.000) 0.890 4.211 ( 0.431 -0.011 0.000) 0.431 7.643 ( 0.026 -0.662 0.000) 0.663 7.657 ( 0.064 -0.661 0.000) 0.664 7.841 ( -0.418 -1.383 0.000) 1.445 7.854 ( 0.214 -1.173 0.000) 1.193 7.875 ( 0.486 -0.642 0.000) 0.805 7.950 ( 0.795 0.352 0.000) 0.869 8.030 ( 4.581 3.219 0.000) 5.599 8.186 ( 0.367 2.553 0.000) 2.580 8.482 ( 0.201 0.889 0.000) 0.911 8.611 ( -0.184 1.855 0.000) 1.864 8.631 ( -0.270 -1.006 0.000) 1.042 8.724 ( -1.286 0.356 0.000) 1.335 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 5.197 -14.136 0.000) 15.061 0.706 ( 11.677 -11.587 0.000) 16.451 0.991 ( 1.280 -9.354 0.000) 9.441 1.033 ( -0.957 -7.874 0.000) 7.932 1.171 ( 2.469 -6.921 0.000) 7.348 1.201 ( 3.741 -10.620 0.000) 11.259 1.285 ( 1.455 -2.565 0.000) 2.949 1.344 ( 3.117 -18.638 0.000) 18.897 1.408 ( -2.766 -2.710 0.000) 3.872 1.414 ( 1.489 -3.109 0.000) 3.447 1.434 ( -0.250 -3.983 0.000) 3.991 1.464 ( -3.377 -5.183 0.000) 6.186 1.501 ( -1.743 -7.366 0.000) 7.570 1.526 ( 1.202 -2.756 0.000) 3.007 1.582 ( 3.751 -7.356 0.000) 8.257 1.609 ( -1.960 -5.654 0.000) 5.984 1.685 ( -2.167 -1.547 0.000) 2.662 1.700 ( 0.466 -1.448 0.000) 1.521 1.737 ( -1.798 -3.441 0.000) 3.882 1.772 ( 1.592 -2.193 0.000) 2.709 1.802 ( -1.078 -3.247 0.000) 3.422 1.848 ( -2.950 -3.312 0.000) 4.435 1.871 ( 0.904 -2.335 0.000) 2.504 1.887 ( 1.991 -0.444 0.000) 2.040 1.919 ( -2.398 1.377 0.000) 2.765 1.988 ( -0.385 3.012 0.000) 3.036 1.989 ( -0.050 -1.954 0.000) 1.954 2.046 ( -1.241 -4.098 0.000) 4.282 2.071 ( -3.693 -3.132 0.000) 4.843 2.114 ( -1.829 0.282 0.000) 1.850 2.200 ( 2.849 -7.677 0.000) 8.188 2.209 ( -2.663 0.017 0.000) 2.663 2.223 ( -1.800 1.731 0.000) 2.497 2.251 ( 0.160 -1.825 0.000) 1.832 2.258 ( -0.400 0.261 0.000) 0.478 2.280 ( -1.094 4.727 0.000) 4.852 2.286 ( -1.753 1.615 0.000) 2.384 2.294 ( 1.317 -0.517 0.000) 1.415 2.356 ( 3.039 -1.719 0.000) 3.491 2.415 ( -0.069 -2.662 0.000) 2.663 2.417 ( 1.785 -0.842 0.000) 1.974 2.446 ( 0.088 -0.725 0.000) 0.731 2.508 ( -1.907 -1.903 0.000) 2.693 2.555 ( -4.256 0.382 0.000) 4.273 2.574 ( 1.709 -0.127 0.000) 1.714 2.597 ( 0.921 -7.741 0.000) 7.796 2.656 ( -3.167 -1.977 0.000) 3.733 2.672 ( 3.310 2.173 0.000) 3.960 2.714 ( -4.062 -2.057 0.000) 4.553 2.747 ( 0.528 0.638 0.000) 0.828 2.756 ( -0.500 -0.601 0.000) 0.782 2.776 ( -3.934 -5.669 0.000) 6.901 2.816 ( -0.082 2.401 0.000) 2.403 2.831 ( -0.604 -0.475 0.000) 0.768 2.850 ( 1.664 -1.898 0.000) 2.524 2.890 ( -2.191 -2.771 0.000) 3.532 2.948 ( -4.054 -0.574 0.000) 4.094 2.952 ( 1.640 -0.975 0.000) 1.908 3.019 ( 1.712 -4.094 0.000) 4.437 3.059 ( 2.764 -3.018 0.000) 4.092 3.083 ( 1.821 -2.704 0.000) 3.260 3.098 ( 1.769 0.162 0.000) 1.776 3.122 ( 2.819 -4.306 0.000) 5.147 3.183 ( 1.977 -1.193 0.000) 2.309 3.228 ( 5.054 -0.538 0.000) 5.082 3.248 ( 0.105 -0.989 0.000) 0.995 3.257 ( 1.604 -2.695 0.000) 3.136 3.417 ( -4.635 3.935 0.000) 6.080 3.867 ( -0.219 0.354 0.000) 0.416 3.867 ( 0.254 0.549 0.000) 0.605 4.198 ( 0.823 -0.256 0.000) 0.862 4.213 ( 0.383 0.173 0.000) 0.420 7.659 ( 0.066 -0.796 0.000) 0.798 7.671 ( 0.109 -0.613 0.000) 0.623 7.855 ( -0.439 -0.869 0.000) 0.974 7.891 ( 0.415 -0.468 0.000) 0.625 7.898 ( -1.378 -2.317 0.000) 2.695 7.954 ( 1.701 -0.523 0.000) 1.780 7.986 ( 3.607 3.807 0.000) 5.244 8.124 ( -0.564 3.270 0.000) 3.318 8.467 ( 0.496 0.563 0.000) 0.751 8.560 ( -0.584 2.680 0.000) 2.743 8.654 ( -0.127 -1.316 0.000) 1.322 8.708 ( -1.152 0.266 0.000) 1.183 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 3.832 -10.408 0.000) 11.091 0.963 ( 8.821 -6.098 0.000) 10.724 1.110 ( -4.853 -3.431 0.000) 5.943 1.188 ( 1.560 -6.466 0.000) 6.652 1.200 ( -3.782 5.041 0.000) 6.302 1.279 ( 0.864 2.738 0.000) 2.871 1.358 ( -0.151 -4.550 0.000) 4.553 1.367 ( 1.443 -0.978 0.000) 1.743 1.405 ( 0.461 0.601 0.000) 0.758 1.458 ( 0.626 2.953 0.000) 3.018 1.553 ( -1.371 -4.531 0.000) 4.734 1.554 ( -2.866 -3.881 0.000) 4.825 1.652 ( -1.987 -7.090 0.000) 7.363 1.682 ( 1.953 -4.174 0.000) 4.608 1.691 ( 2.744 -0.862 0.000) 2.877 1.710 ( 2.535 -3.110 0.000) 4.013 1.742 ( 3.156 0.280 0.000) 3.168 1.747 ( -1.769 -0.946 0.000) 2.006 1.790 ( -1.762 -1.189 0.000) 2.125 1.826 ( -1.564 -0.720 0.000) 1.721 1.841 ( -0.190 0.011 0.000) 0.190 1.861 ( -0.132 3.312 0.000) 3.314 1.916 ( -0.648 -0.338 0.000) 0.731 1.918 ( -4.316 -1.700 0.000) 4.638 1.934 ( 0.336 -7.441 0.000) 7.448 1.966 ( 2.312 -6.402 0.000) 6.806 1.976 ( -2.345 -1.414 0.000) 2.738 2.071 ( -1.671 1.273 0.000) 2.100 2.122 ( 0.010 -3.825 0.000) 3.825 2.124 ( 1.256 4.535 0.000) 4.706 2.144 ( -1.734 4.485 0.000) 4.809 2.164 ( -1.096 -4.725 0.000) 4.851 2.198 ( 2.213 1.900 0.000) 2.917 2.208 ( -0.609 0.245 0.000) 0.656 2.255 ( 0.875 1.430 0.000) 1.676 2.323 ( -1.695 1.001 0.000) 1.968 2.354 ( 0.106 -3.472 0.000) 3.474 2.359 ( 4.068 -1.592 0.000) 4.369 2.384 ( 0.265 -0.981 0.000) 1.016 2.439 ( 1.055 0.440 0.000) 1.143 2.469 ( 0.019 -2.235 0.000) 2.235 2.491 ( -2.366 -1.019 0.000) 2.576 2.518 ( 0.520 -1.639 0.000) 1.720 2.542 ( 1.044 -1.068 0.000) 1.493 2.597 ( 0.140 -0.965 0.000) 0.975 2.614 ( -0.411 3.000 0.000) 3.028 2.687 ( -1.214 -0.470 0.000) 1.302 2.695 ( -1.033 1.892 0.000) 2.156 2.717 ( -0.138 -3.113 0.000) 3.116 2.728 ( -1.892 -0.582 0.000) 1.979 2.762 ( 2.356 -1.240 0.000) 2.663 2.777 ( 0.326 -0.883 0.000) 0.941 2.801 ( -1.763 1.681 0.000) 2.436 2.848 ( -0.056 1.793 0.000) 1.794 2.896 ( -5.359 -2.641 0.000) 5.975 2.913 ( -0.656 0.061 0.000) 0.659 2.924 ( -0.101 -2.838 0.000) 2.839 2.976 ( 1.083 0.863 0.000) 1.385 3.067 ( -0.144 -0.863 0.000) 0.875 3.074 ( 2.254 1.547 0.000) 2.734 3.153 ( -0.786 -3.079 0.000) 3.178 3.156 ( 2.675 -1.051 0.000) 2.874 3.214 ( 3.356 -2.055 0.000) 3.935 3.225 ( 2.202 -1.842 0.000) 2.870 3.258 ( -1.076 -0.955 0.000) 1.439 3.277 ( 1.805 -1.567 0.000) 2.390 3.301 ( 1.808 0.126 0.000) 1.813 3.319 ( -4.074 2.697 0.000) 4.886 3.858 ( 0.070 0.330 0.000) 0.337 3.859 ( -0.216 0.257 0.000) 0.336 4.205 ( 0.557 -0.032 0.000) 0.558 4.209 ( -0.075 0.219 0.000) 0.232 7.673 ( 0.083 -0.520 0.000) 0.526 7.679 ( 0.029 -0.040 0.000) 0.049 7.875 ( -1.789 -1.866 0.000) 2.585 7.894 ( 0.996 0.738 0.000) 1.240 7.912 ( -0.150 -0.389 0.000) 0.417 7.936 ( 1.620 2.690 0.000) 3.140 8.001 ( 0.414 -2.768 0.000) 2.799 8.059 ( -0.060 2.951 0.000) 2.951 8.472 ( 0.772 -0.681 0.000) 1.030 8.506 ( -0.829 2.086 0.000) 2.245 8.679 ( 0.303 -0.988 0.000) 1.033 8.696 ( -0.754 0.416 0.000) 0.860 ======================= Grid point 8 (5/48) ======================= q-point: ( 0.14 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 13.984 0.000 0.000) 13.984 0.211 ( 15.591 0.000 0.000) 15.591 0.481 ( 34.824 0.000 0.000) 34.824 0.724 ( 1.718 0.000 0.000) 1.718 0.806 ( 14.647 0.000 0.000) 14.647 0.832 ( 2.703 0.000 0.000) 2.703 0.887 ( 1.931 0.000 0.000) 1.931 1.212 ( -0.367 -0.000 0.000) 0.367 1.256 ( 5.025 0.000 0.000) 5.025 1.260 ( -2.458 -0.000 0.000) 2.458 1.272 ( -1.527 -0.000 0.000) 1.527 1.310 ( -2.319 -0.000 0.000) 2.319 1.386 ( 3.183 0.000 0.000) 3.183 1.446 ( -1.188 -0.000 0.000) 1.188 1.475 ( -6.469 -0.000 0.000) 6.469 1.569 ( -1.631 -0.000 0.000) 1.631 1.620 ( 0.284 0.000 0.000) 0.284 1.674 ( 4.449 0.000 0.000) 4.449 1.705 ( -6.344 -0.000 0.000) 6.344 1.719 ( 1.689 0.000 0.000) 1.689 1.762 ( -0.075 -0.000 0.000) 0.075 1.795 ( -4.339 -0.000 0.000) 4.339 1.821 ( -0.340 -0.000 0.000) 0.340 1.895 ( -0.272 -0.000 0.000) 0.272 1.895 ( 0.109 0.000 0.000) 0.109 1.905 ( 1.767 0.000 0.000) 1.767 1.918 ( -1.512 -0.000 0.000) 1.512 1.978 ( -0.443 -0.000 0.000) 0.443 1.990 ( 2.703 0.000 0.000) 2.703 2.056 ( 1.414 0.000 0.000) 1.414 2.094 ( 0.471 0.000 0.000) 0.471 2.104 ( -3.644 -0.000 0.000) 3.644 2.164 ( -3.894 -0.000 0.000) 3.894 2.184 ( -2.250 -0.000 0.000) 2.250 2.258 ( -1.937 -0.000 0.000) 1.937 2.291 ( -5.172 -0.000 0.000) 5.172 2.303 ( 5.820 0.000 0.000) 5.820 2.316 ( 0.454 0.000 0.000) 0.454 2.348 ( 1.408 0.000 0.000) 1.408 2.420 ( -1.499 -0.000 0.000) 1.499 2.441 ( -5.200 -0.000 0.000) 5.200 2.451 ( -2.401 -0.000 0.000) 2.401 2.487 ( -0.434 -0.000 0.000) 0.434 2.516 ( -5.544 -0.000 0.000) 5.544 2.525 ( -7.612 -0.000 0.000) 7.612 2.587 ( -4.634 -0.000 0.000) 4.634 2.598 ( -3.242 -0.000 0.000) 3.242 2.617 ( -2.401 -0.000 0.000) 2.401 2.653 ( 1.493 0.000 0.000) 1.493 2.672 ( 3.494 0.000 0.000) 3.494 2.680 ( -1.594 -0.000 0.000) 1.594 2.750 ( -1.734 -0.000 0.000) 1.734 2.804 ( 0.426 0.000 0.000) 0.426 2.808 ( -1.236 -0.000 0.000) 1.236 2.810 ( 5.500 0.000 0.000) 5.500 2.826 ( 8.432 0.000 0.000) 8.432 2.888 ( -2.656 -0.000 0.000) 2.656 2.912 ( 3.278 0.000 0.000) 3.278 2.930 ( -3.100 -0.000 0.000) 3.100 2.981 ( 2.655 0.000 0.000) 2.655 3.007 ( 1.496 0.000 0.000) 1.496 3.008 ( 1.393 0.000 0.000) 1.393 3.035 ( 11.959 0.000 0.000) 11.959 3.129 ( 3.123 0.000 0.000) 3.123 3.184 ( 4.828 0.000 0.000) 4.828 3.216 ( -1.479 -0.000 0.000) 1.479 3.257 ( -1.125 -0.000 0.000) 1.125 3.426 ( -0.245 -0.000 0.000) 0.245 3.872 ( -0.642 -0.000 0.000) 0.642 3.946 ( -3.020 -0.000 0.000) 3.020 4.188 ( 1.772 0.000 0.000) 1.772 4.216 ( 0.996 0.000 0.000) 0.996 7.637 ( 0.132 0.000 0.000) 0.132 7.650 ( 0.158 0.000 0.000) 0.158 7.816 ( -0.590 -0.000 0.000) 0.590 7.855 ( 1.024 0.000 0.000) 1.024 7.873 ( 1.003 0.000 0.000) 1.003 7.959 ( 0.912 0.000 0.000) 0.912 8.114 ( -0.448 -0.000 0.000) 0.448 8.311 ( 0.870 0.000 0.000) 0.870 8.494 ( 0.324 0.000 0.000) 0.324 8.617 ( -0.521 -0.000 0.000) 0.521 8.630 ( -0.069 -0.000 0.000) 0.069 8.701 ( -1.857 -0.000 0.000) 1.857 ======================= Grid point 9 (6/48) ======================= q-point: ( 0.29 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 9.858 -12.046 0.000) 15.565 0.573 ( 13.497 -13.344 0.000) 18.980 0.825 ( -0.372 -7.740 0.000) 7.749 0.896 ( 18.672 -19.117 0.000) 26.723 0.897 ( 4.767 -5.026 0.000) 6.927 1.028 ( 11.699 -9.681 0.000) 15.185 1.036 ( 2.785 -12.180 0.000) 12.494 1.239 ( 0.266 -3.271 0.000) 3.282 1.290 ( -0.049 -2.111 0.000) 2.112 1.305 ( -0.397 -4.450 0.000) 4.468 1.331 ( -5.086 -4.497 0.000) 6.789 1.410 ( 6.096 -7.135 0.000) 9.384 1.449 ( 2.473 -2.050 0.000) 3.213 1.465 ( -5.589 -4.003 0.000) 6.875 1.467 ( 1.301 -3.974 0.000) 4.182 1.539 ( -1.168 1.562 0.000) 1.951 1.627 ( -1.269 -1.972 0.000) 2.345 1.662 ( -6.792 -0.923 0.000) 6.854 1.674 ( -1.973 0.521 0.000) 2.040 1.709 ( 1.139 -1.930 0.000) 2.241 1.763 ( -0.096 -0.743 0.000) 0.749 1.811 ( -1.360 0.665 0.000) 1.514 1.825 ( 0.661 -3.903 0.000) 3.959 1.864 ( 0.870 -1.881 0.000) 2.072 1.909 ( -0.565 -0.408 0.000) 0.697 1.926 ( -0.692 -3.170 0.000) 3.244 1.956 ( -0.567 -3.032 0.000) 3.084 2.038 ( -3.544 1.057 0.000) 3.698 2.050 ( -0.364 0.664 0.000) 0.758 2.069 ( 1.705 -5.623 0.000) 5.875 2.106 ( -2.741 -0.700 0.000) 2.829 2.134 ( -3.961 -3.019 0.000) 4.980 2.171 ( -1.044 -2.905 0.000) 3.087 2.211 ( -2.231 1.396 0.000) 2.632 2.223 ( 0.894 -4.024 0.000) 4.122 2.280 ( -2.057 -1.079 0.000) 2.323 2.307 ( -1.254 1.337 0.000) 1.833 2.329 ( -3.827 1.707 0.000) 4.191 2.380 ( 0.589 -2.683 0.000) 2.747 2.398 ( -2.059 1.216 0.000) 2.392 2.412 ( -0.830 0.635 0.000) 1.045 2.451 ( 1.239 -3.663 0.000) 3.867 2.467 ( -0.812 -1.123 0.000) 1.386 2.519 ( 0.064 2.419 0.000) 2.420 2.524 ( -2.804 -1.234 0.000) 3.064 2.544 ( -5.182 -4.215 0.000) 6.679 2.577 ( -3.606 -2.669 0.000) 4.487 2.582 ( -1.839 -0.016 0.000) 1.839 2.651 ( -2.297 -2.485 0.000) 3.384 2.704 ( 1.570 -0.704 0.000) 1.721 2.767 ( -0.315 -5.410 0.000) 5.419 2.782 ( -0.645 -0.214 0.000) 0.680 2.794 ( -1.075 -2.542 0.000) 2.760 2.803 ( -1.228 3.009 0.000) 3.250 2.826 ( -0.169 0.840 0.000) 0.857 2.871 ( 2.982 0.578 0.000) 3.038 2.907 ( -0.067 -0.959 0.000) 0.961 2.950 ( 1.933 -2.870 0.000) 3.460 2.961 ( 2.804 -1.873 0.000) 3.372 3.031 ( 1.675 -2.096 0.000) 2.683 3.040 ( 0.723 -2.909 0.000) 2.998 3.047 ( 1.725 -2.824 0.000) 3.309 3.138 ( 9.473 -0.796 0.000) 9.506 3.181 ( 4.335 -1.588 0.000) 4.616 3.215 ( -1.882 -0.971 0.000) 2.117 3.233 ( 4.276 -1.792 0.000) 4.636 3.248 ( 0.385 -0.171 0.000) 0.421 3.428 ( -4.534 0.668 0.000) 4.583 3.867 ( -0.781 -0.025 0.000) 0.782 3.890 ( -0.808 1.767 0.000) 1.943 4.202 ( 1.706 -0.140 0.000) 1.712 4.222 ( 1.075 0.218 0.000) 1.097 7.645 ( 0.219 -0.628 0.000) 0.665 7.659 ( 0.242 -0.640 0.000) 0.684 7.830 ( -0.889 -1.509 0.000) 1.751 7.863 ( 0.987 -0.291 0.000) 1.029 7.886 ( 0.988 -0.413 0.000) 1.071 7.963 ( 0.753 0.127 0.000) 0.764 8.088 ( 2.133 2.512 0.000) 3.296 8.207 ( 2.865 6.037 0.000) 6.682 8.486 ( 0.469 0.828 0.000) 0.952 8.606 ( -0.403 2.072 0.000) 2.111 8.627 ( -0.334 -1.147 0.000) 1.195 8.697 ( -2.344 -0.337 0.000) 2.368 ======================= Grid point 10 (7/48) ======================= q-point: ( 0.43 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 7.274 -12.465 0.000) 14.432 0.882 ( 12.762 -8.897 0.000) 15.557 0.968 ( -3.747 -7.429 0.000) 8.321 1.068 ( 5.375 -7.458 0.000) 9.193 1.197 ( 0.500 -5.002 0.000) 5.027 1.254 ( 3.426 -5.989 0.000) 6.900 1.319 ( 0.332 -1.356 0.000) 1.396 1.358 ( 0.483 -5.137 0.000) 5.160 1.373 ( 1.216 -7.731 0.000) 7.826 1.378 ( -7.342 -3.169 0.000) 7.997 1.455 ( 3.176 -8.002 0.000) 8.609 1.462 ( 0.717 -1.750 0.000) 1.891 1.465 ( -2.787 -4.919 0.000) 5.653 1.576 ( 7.886 -9.246 0.000) 12.152 1.622 ( 1.618 -7.854 0.000) 8.019 1.629 ( 4.170 -6.448 0.000) 7.678 1.671 ( 0.708 -2.732 0.000) 2.822 1.674 ( -5.048 -4.319 0.000) 6.644 1.705 ( -2.597 -5.020 0.000) 5.651 1.766 ( 1.425 -2.037 0.000) 2.486 1.798 ( -3.281 -1.213 0.000) 3.498 1.816 ( 0.155 -4.189 0.000) 4.191 1.887 ( 0.884 -1.038 0.000) 1.364 1.894 ( -1.130 0.764 0.000) 1.364 1.908 ( 0.317 -1.075 0.000) 1.121 1.961 ( -3.156 2.925 0.000) 4.303 1.963 ( -3.269 0.720 0.000) 3.348 2.022 ( -0.346 -6.047 0.000) 6.057 2.060 ( -0.187 -1.670 0.000) 1.681 2.082 ( -4.005 -0.548 0.000) 4.042 2.176 ( -1.808 -0.384 0.000) 1.848 2.179 ( -4.409 -4.878 0.000) 6.575 2.218 ( -0.554 1.066 0.000) 1.202 2.236 ( -2.789 0.357 0.000) 2.812 2.246 ( 0.072 -5.985 0.000) 5.985 2.271 ( 0.322 1.080 0.000) 1.127 2.280 ( 0.037 2.612 0.000) 2.612 2.307 ( 1.381 -2.216 0.000) 2.611 2.397 ( 2.236 -3.155 0.000) 3.866 2.419 ( 1.170 -1.405 0.000) 1.829 2.434 ( -1.958 -1.644 0.000) 2.556 2.452 ( 1.906 -0.311 0.000) 1.931 2.491 ( -0.286 -1.516 0.000) 1.543 2.519 ( -0.823 -1.023 0.000) 1.313 2.595 ( 1.284 -0.668 0.000) 1.447 2.600 ( -2.283 -5.496 0.000) 5.951 2.626 ( 0.603 -4.002 0.000) 4.047 2.637 ( -6.556 -4.110 0.000) 7.738 2.708 ( -3.637 -5.833 0.000) 6.874 2.710 ( 1.884 1.519 0.000) 2.420 2.744 ( -0.421 -0.534 0.000) 0.680 2.755 ( -0.736 1.816 0.000) 1.960 2.805 ( -0.648 1.878 0.000) 1.987 2.819 ( -1.108 -1.568 0.000) 1.920 2.877 ( 1.210 0.200 0.000) 1.227 2.880 ( 2.014 -2.639 0.000) 3.319 2.902 ( -2.396 0.611 0.000) 2.473 2.976 ( 1.117 0.192 0.000) 1.134 3.036 ( 0.638 -3.664 0.000) 3.719 3.089 ( 1.772 -2.693 0.000) 3.224 3.111 ( 1.581 -1.085 0.000) 1.918 3.123 ( 1.915 -3.770 0.000) 4.229 3.206 ( 7.613 -0.946 0.000) 7.672 3.218 ( -0.476 -0.948 0.000) 1.060 3.230 ( 1.893 -0.597 0.000) 1.985 3.262 ( -0.888 -0.991 0.000) 1.331 3.303 ( 3.488 -1.718 0.000) 3.889 3.353 ( -3.394 3.255 0.000) 4.703 3.862 ( -0.486 0.119 0.000) 0.500 3.867 ( -0.370 0.458 0.000) 0.589 4.212 ( 1.087 0.122 0.000) 1.094 4.219 ( 0.543 0.582 0.000) 0.796 7.661 ( 0.199 -0.754 0.000) 0.780 7.673 ( 0.166 -0.542 0.000) 0.567 7.844 ( -1.067 -0.572 0.000) 1.210 7.888 ( -0.154 -1.582 0.000) 1.589 7.897 ( 0.377 -0.176 0.000) 0.416 7.971 ( 0.705 -0.720 0.000) 1.008 8.038 ( 3.384 4.422 0.000) 5.568 8.119 ( 0.064 3.670 0.000) 3.671 8.475 ( 0.603 0.460 0.000) 0.759 8.550 ( -0.813 2.822 0.000) 2.937 8.654 ( 0.088 -1.532 0.000) 1.534 8.690 ( -1.375 -0.293 0.000) 1.406 ======================= Grid point 11 (8/48) ======================= q-point: ( 0.57 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -1.065 -3.331 0.000) 3.497 1.067 ( 4.363 0.552 0.000) 4.398 1.082 ( 1.601 -7.699 0.000) 7.864 1.178 ( 2.614 2.180 0.000) 3.404 1.225 ( 3.876 -4.205 0.000) 5.719 1.297 ( 1.253 3.698 0.000) 3.904 1.349 ( -1.418 -3.149 0.000) 3.454 1.368 ( -4.647 -2.165 0.000) 5.127 1.369 ( -2.811 0.212 0.000) 2.819 1.434 ( -2.275 1.599 0.000) 2.781 1.536 ( -0.671 -3.794 0.000) 3.852 1.558 ( 2.691 -6.361 0.000) 6.907 1.641 ( 0.856 -5.228 0.000) 5.298 1.705 ( 0.758 -1.382 0.000) 1.576 1.715 ( -1.903 0.162 0.000) 1.910 1.735 ( -2.687 -3.567 0.000) 4.466 1.740 ( 2.148 -0.270 0.000) 2.165 1.752 ( 1.790 -2.831 0.000) 3.349 1.790 ( 3.210 0.929 0.000) 3.342 1.815 ( 0.388 0.533 0.000) 0.659 1.850 ( -0.726 -0.895 0.000) 1.153 1.855 ( -0.893 0.900 0.000) 1.268 1.872 ( -0.659 -8.001 0.000) 8.028 1.900 ( -1.116 2.330 0.000) 2.583 1.942 ( -0.877 -2.627 0.000) 2.769 1.952 ( -0.662 -4.083 0.000) 4.137 1.992 ( 1.468 -4.171 0.000) 4.422 2.072 ( 1.953 0.541 0.000) 2.027 2.114 ( -0.773 -2.068 0.000) 2.207 2.134 ( 0.028 -1.713 0.000) 1.713 2.134 ( -0.061 1.283 0.000) 1.285 2.151 ( -0.678 -2.830 0.000) 2.910 2.208 ( 0.592 -0.573 0.000) 0.823 2.228 ( 1.318 1.147 0.000) 1.747 2.255 ( -5.825 -4.451 0.000) 7.331 2.263 ( 0.100 1.504 0.000) 1.508 2.360 ( 0.020 8.492 0.000) 8.492 2.388 ( -0.080 -4.351 0.000) 4.352 2.389 ( -0.174 -3.116 0.000) 3.121 2.437 ( -0.908 1.938 0.000) 2.140 2.459 ( -0.710 -2.751 0.000) 2.841 2.470 ( -0.374 -0.248 0.000) 0.449 2.507 ( -1.504 0.081 0.000) 1.506 2.555 ( 0.787 -4.310 0.000) 4.381 2.602 ( -0.723 -1.003 0.000) 1.236 2.617 ( 0.105 3.633 0.000) 3.634 2.681 ( 0.664 -2.119 0.000) 2.221 2.695 ( 1.815 1.067 0.000) 2.105 2.719 ( -0.265 0.595 0.000) 0.651 2.723 ( 0.837 -3.487 0.000) 3.586 2.777 ( 0.859 0.414 0.000) 0.953 2.781 ( -1.013 -2.373 0.000) 2.581 2.807 ( 2.809 -3.187 0.000) 4.248 2.835 ( -3.024 -1.386 0.000) 3.327 2.862 ( 1.774 3.999 0.000) 4.375 2.897 ( -1.125 -4.382 0.000) 4.524 2.905 ( -2.677 -2.413 0.000) 3.604 2.977 ( -0.731 1.292 0.000) 1.485 3.079 ( 1.723 0.663 0.000) 1.846 3.113 ( 3.021 1.720 0.000) 3.476 3.136 ( -1.732 -1.328 0.000) 2.183 3.192 ( 2.460 -1.097 0.000) 2.694 3.229 ( -1.123 0.069 0.000) 1.126 3.249 ( -4.161 1.135 0.000) 4.313 3.258 ( 0.556 -1.495 0.000) 1.595 3.267 ( 2.762 -0.437 0.000) 2.796 3.290 ( -0.496 0.760 0.000) 0.907 3.330 ( 2.146 0.657 0.000) 2.245 3.857 ( -0.075 0.144 0.000) 0.163 3.860 ( 0.118 0.192 0.000) 0.225 4.208 ( -0.059 0.575 0.000) 0.578 4.212 ( 0.458 0.281 0.000) 0.537 7.675 ( 0.076 -0.450 0.000) 0.456 7.679 ( 0.010 0.045 0.000) 0.046 7.852 ( -1.370 -1.318 0.000) 1.901 7.901 ( 0.214 -0.187 0.000) 0.284 7.911 ( -0.045 -0.817 0.000) 0.818 7.963 ( 1.866 4.507 0.000) 4.878 8.005 ( 0.115 -2.248 0.000) 2.251 8.058 ( -0.017 2.770 0.000) 2.770 8.482 ( 0.549 -0.764 0.000) 0.940 8.494 ( -0.757 2.049 0.000) 2.185 8.684 ( 0.364 -1.194 0.000) 1.248 8.687 ( -0.557 0.085 0.000) 0.563 ======================= Grid point 12 (9/48) ======================= q-point: (-0.29 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -4.101 8.657 0.000) 9.580 0.897 ( -1.912 12.016 0.000) 12.167 1.167 ( 2.079 6.558 0.000) 6.879 1.183 ( 0.914 7.168 0.000) 7.226 1.243 ( 1.525 1.085 0.000) 1.871 1.281 ( 1.091 -5.242 0.000) 5.355 1.352 ( -0.520 -0.574 0.000) 0.774 1.357 ( -0.146 5.863 0.000) 5.865 1.378 ( -1.935 -3.457 0.000) 3.962 1.436 ( -1.580 -3.462 0.000) 3.805 1.553 ( -0.964 2.968 0.000) 3.121 1.607 ( 4.095 4.373 0.000) 5.991 1.659 ( -2.144 5.374 0.000) 5.786 1.664 ( -0.464 6.158 0.000) 6.175 1.679 ( 0.122 0.752 0.000) 0.762 1.689 ( -0.237 1.561 0.000) 1.579 1.722 ( 0.856 1.418 0.000) 1.656 1.763 ( -3.215 1.067 0.000) 3.388 1.772 ( 1.774 1.942 0.000) 2.630 1.842 ( 0.033 -0.411 0.000) 0.413 1.851 ( -0.896 -0.719 0.000) 1.149 1.879 ( 2.529 1.856 0.000) 3.137 1.916 ( -0.156 -0.235 0.000) 0.282 1.920 ( 0.259 1.923 0.000) 1.941 1.939 ( -1.348 9.009 0.000) 9.110 2.001 ( 1.102 -1.484 0.000) 1.849 2.002 ( 4.448 4.598 0.000) 6.398 2.093 ( 0.661 -3.751 0.000) 3.808 2.107 ( -1.007 -8.073 0.000) 8.136 2.122 ( 0.291 1.616 0.000) 1.642 2.166 ( 1.131 -4.259 0.000) 4.407 2.167 ( -0.174 5.094 0.000) 5.096 2.200 ( 2.404 1.998 0.000) 3.126 2.221 ( 1.047 -1.352 0.000) 1.710 2.242 ( -0.979 -0.770 0.000) 1.245 2.285 ( -4.095 1.314 0.000) 4.301 2.292 ( -4.583 -0.694 0.000) 4.635 2.370 ( 0.683 0.579 0.000) 0.895 2.388 ( 0.450 4.614 0.000) 4.636 2.415 ( -1.378 0.049 0.000) 1.379 2.459 ( -0.745 1.976 0.000) 2.112 2.512 ( -0.082 0.563 0.000) 0.569 2.521 ( 1.677 2.213 0.000) 2.777 2.527 ( -0.887 -5.022 0.000) 5.099 2.595 ( -0.413 2.542 0.000) 2.575 2.629 ( 0.894 -0.319 0.000) 0.950 2.695 ( -0.318 -3.357 0.000) 3.372 2.709 ( 1.227 2.142 0.000) 2.469 2.730 ( -1.728 0.623 0.000) 1.837 2.743 ( 3.407 2.790 0.000) 4.403 2.771 ( 3.402 -0.126 0.000) 3.405 2.776 ( -0.735 0.762 0.000) 1.058 2.809 ( -0.857 -1.155 0.000) 1.438 2.871 ( 3.011 -1.833 0.000) 3.525 2.905 ( -1.022 3.470 0.000) 3.617 2.919 ( -0.724 -4.410 0.000) 4.469 2.927 ( -3.081 -1.798 0.000) 3.568 2.966 ( 1.492 3.136 0.000) 3.473 3.069 ( 1.081 -2.117 0.000) 2.377 3.079 ( 1.223 3.397 0.000) 3.610 3.125 ( -1.433 1.299 0.000) 1.934 3.147 ( -1.630 5.255 0.000) 5.502 3.192 ( 0.584 3.338 0.000) 3.389 3.215 ( 1.371 1.854 0.000) 2.306 3.235 ( -3.765 2.744 0.000) 4.659 3.253 ( -2.037 0.323 0.000) 2.062 3.292 ( 0.377 0.758 0.000) 0.847 3.360 ( 1.640 -2.897 0.000) 3.329 3.858 ( 0.004 -0.280 0.000) 0.280 3.862 ( 0.140 -0.257 0.000) 0.292 4.199 ( -0.245 0.262 0.000) 0.358 4.210 ( 0.034 0.051 0.000) 0.062 7.673 ( -0.020 0.542 0.000) 0.542 7.678 ( -0.023 0.106 0.000) 0.109 7.878 ( -0.839 -1.782 0.000) 1.969 7.894 ( 0.782 2.731 0.000) 2.841 7.914 ( 0.141 -0.613 0.000) 0.629 7.924 ( -0.327 -0.794 0.000) 0.858 7.996 ( -0.292 3.523 0.000) 3.535 8.060 ( 0.031 -3.211 0.000) 3.211 8.464 ( -0.370 0.589 0.000) 0.695 8.514 ( 0.334 -2.117 0.000) 2.143 8.676 ( -0.086 0.776 0.000) 0.781 8.704 ( 0.356 -0.650 0.000) 0.741 ======================= Grid point 13 (10/48) ======================= q-point: (-0.14 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 14.066 0.000) 14.066 0.617 ( 0.000 14.872 0.000) 14.872 0.977 ( 0.000 10.495 0.000) 10.495 1.046 ( 0.000 7.939 0.000) 7.939 1.153 ( 0.000 6.605 0.000) 6.605 1.171 ( 0.000 12.662 0.000) 12.662 1.276 ( 0.000 5.424 0.000) 5.424 1.313 ( 0.000 22.790 0.000) 22.790 1.404 ( 0.000 2.462 0.000) 2.462 1.430 ( -0.000 -2.308 0.000) 2.308 1.453 ( 0.000 2.631 0.000) 2.631 1.479 ( 0.000 6.987 0.000) 6.987 1.516 ( 0.000 7.700 0.000) 7.700 1.520 ( 0.000 5.868 0.000) 5.868 1.543 ( 0.000 5.787 0.000) 5.787 1.645 ( 0.000 2.787 0.000) 2.787 1.695 ( 0.000 2.095 0.000) 2.095 1.705 ( 0.000 1.232 0.000) 1.232 1.732 ( 0.000 0.512 0.000) 0.512 1.751 ( 0.000 3.026 0.000) 3.026 1.822 ( 0.000 3.595 0.000) 3.595 1.862 ( 0.000 3.370 0.000) 3.370 1.867 ( 0.000 2.820 0.000) 2.820 1.872 ( 0.000 0.616 0.000) 0.616 1.958 ( -0.000 -5.642 0.000) 5.642 1.967 ( 0.000 2.469 0.000) 2.469 1.985 ( 0.000 3.843 0.000) 3.843 2.048 ( 0.000 2.529 0.000) 2.529 2.132 ( 0.000 6.085 0.000) 6.085 2.138 ( 0.000 0.478 0.000) 0.478 2.153 ( 0.000 5.932 0.000) 5.932 2.243 ( -0.000 -5.584 0.000) 5.584 2.243 ( -0.000 -0.464 0.000) 0.464 2.250 ( -0.000 -0.603 0.000) 0.603 2.251 ( -0.000 -1.841 0.000) 1.841 2.251 ( 0.000 1.953 0.000) 1.953 2.291 ( -0.000 -5.209 0.000) 5.209 2.309 ( -0.000 -2.920 0.000) 2.920 2.327 ( 0.000 4.407 0.000) 4.407 2.416 ( 0.000 2.495 0.000) 2.495 2.416 ( -0.000 -1.836 0.000) 1.836 2.440 ( 0.000 2.607 0.000) 2.607 2.528 ( 0.000 3.136 0.000) 3.136 2.556 ( -0.000 -1.067 0.000) 1.067 2.590 ( 0.000 8.328 0.000) 8.328 2.610 ( -0.000 -2.427 0.000) 2.427 2.629 ( -0.000 -0.089 0.000) 0.089 2.690 ( -0.000 -1.000 0.000) 1.000 2.729 ( 0.000 3.935 0.000) 3.935 2.756 ( -0.000 -0.940 0.000) 0.940 2.756 ( 0.000 3.556 0.000) 3.556 2.788 ( 0.000 2.164 0.000) 2.164 2.806 ( -0.000 -2.320 0.000) 2.320 2.834 ( 0.000 5.791 0.000) 5.791 2.848 ( 0.000 0.304 0.000) 0.304 2.902 ( 0.000 1.782 0.000) 1.782 2.946 ( -0.000 -0.526 0.000) 0.526 2.994 ( 0.000 0.991 0.000) 0.991 3.007 ( 0.000 0.902 0.000) 0.902 3.020 ( 0.000 5.889 0.000) 5.889 3.068 ( 0.000 3.612 0.000) 3.612 3.100 ( 0.000 2.783 0.000) 2.783 3.141 ( 0.000 0.304 0.000) 0.304 3.146 ( 0.000 2.186 0.000) 2.186 3.174 ( 0.000 2.050 0.000) 2.050 3.224 ( 0.000 2.515 0.000) 2.515 3.265 ( 0.000 1.460 0.000) 1.460 3.452 ( -0.000 -5.062 0.000) 5.062 3.864 ( -0.000 -0.189 0.000) 0.189 3.869 ( -0.000 -0.372 0.000) 0.372 4.192 ( 0.000 0.410 0.000) 0.410 4.210 ( -0.000 -0.008 0.000) 0.008 7.659 ( 0.000 0.796 0.000) 0.796 7.670 ( 0.000 0.626 0.000) 0.626 7.857 ( 0.000 1.123 0.000) 1.123 7.888 ( 0.000 0.534 0.000) 0.534 7.917 ( 0.000 3.893 0.000) 3.893 7.934 ( -0.000 -0.883 0.000) 0.883 7.959 ( -0.000 -2.853 0.000) 2.853 8.129 ( -0.000 -3.389 0.000) 3.389 8.464 ( -0.000 -0.622 0.000) 0.622 8.565 ( -0.000 -2.626 0.000) 2.626 8.656 ( 0.000 1.199 0.000) 1.199 8.717 ( -0.000 -0.541 0.000) 0.541 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.29 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 12.947 0.000 0.000) 12.947 0.420 ( 14.965 0.000 0.000) 14.965 0.726 ( -2.198 -0.000 0.000) 2.198 0.878 ( -4.133 -0.000 0.000) 4.133 0.896 ( 6.823 0.000 0.000) 6.823 0.931 ( 30.700 0.000 0.000) 30.700 1.033 ( 17.101 0.000 0.000) 17.101 1.205 ( -0.158 -0.000 0.000) 0.158 1.248 ( -6.198 -0.000 0.000) 6.198 1.257 ( -1.292 -0.000 0.000) 1.292 1.271 ( 4.117 0.000 0.000) 4.117 1.351 ( 8.458 0.000 0.000) 8.458 1.397 ( -4.422 -0.000 0.000) 4.422 1.416 ( 1.161 0.000 0.000) 1.161 1.442 ( 0.880 0.000 0.000) 0.880 1.543 ( -1.699 -0.000 0.000) 1.699 1.590 ( -9.909 -0.000 0.000) 9.909 1.611 ( -1.416 -0.000 0.000) 1.416 1.716 ( 2.218 0.000 0.000) 2.218 1.738 ( -4.098 -0.000 0.000) 4.098 1.748 ( 1.799 0.000 0.000) 1.799 1.779 ( 2.116 0.000 0.000) 2.116 1.811 ( -1.250 -0.000 0.000) 1.250 1.880 ( -2.360 -0.000 0.000) 2.360 1.889 ( -2.728 -0.000 0.000) 2.728 1.890 ( -0.550 -0.000 0.000) 0.550 1.926 ( 1.318 0.000 0.000) 1.318 1.946 ( -3.885 -0.000 0.000) 3.885 2.021 ( 1.188 0.000 0.000) 1.188 2.040 ( -4.306 -0.000 0.000) 4.306 2.082 ( 2.172 0.000 0.000) 2.172 2.113 ( 2.294 0.000 0.000) 2.294 2.136 ( -0.234 -0.000 0.000) 0.234 2.164 ( -14.952 -0.000 0.000) 14.952 2.177 ( 1.152 0.000 0.000) 1.152 2.228 ( -3.944 -0.000 0.000) 3.944 2.297 ( -5.819 -0.000 0.000) 5.819 2.316 ( -0.462 -0.000 0.000) 0.462 2.337 ( -3.512 -0.000 0.000) 3.512 2.382 ( 5.197 0.000 0.000) 5.197 2.404 ( -5.171 -0.000 0.000) 5.171 2.412 ( 1.198 0.000 0.000) 1.198 2.482 ( 1.066 0.000 0.000) 1.066 2.482 ( -0.283 -0.000 0.000) 0.283 2.524 ( -3.888 -0.000 0.000) 3.888 2.529 ( 1.939 0.000 0.000) 1.939 2.543 ( -4.224 -0.000 0.000) 4.224 2.585 ( -2.215 -0.000 0.000) 2.215 2.646 ( -4.069 -0.000 0.000) 4.069 2.676 ( 1.702 0.000 0.000) 1.702 2.691 ( -0.265 -0.000 0.000) 0.265 2.731 ( -0.751 -0.000 0.000) 0.751 2.804 ( -0.258 -0.000 0.000) 0.258 2.815 ( 0.091 0.000 0.000) 0.091 2.860 ( -2.260 -0.000 0.000) 2.260 2.861 ( 0.757 0.000 0.000) 0.757 2.879 ( 4.110 0.000 0.000) 4.110 2.945 ( 1.297 0.000 0.000) 1.297 2.961 ( 6.100 0.000 0.000) 6.100 3.013 ( 0.319 0.000 0.000) 0.319 3.015 ( 2.067 0.000 0.000) 2.067 3.042 ( 3.771 0.000 0.000) 3.771 3.189 ( -2.329 -0.000 0.000) 2.329 3.194 ( 5.727 0.000 0.000) 5.727 3.206 ( 11.589 0.000 0.000) 11.589 3.231 ( -2.767 -0.000 0.000) 2.767 3.244 ( 3.789 0.000 0.000) 3.789 3.419 ( -0.845 -0.000 0.000) 0.845 3.859 ( -1.241 -0.000 0.000) 1.241 3.895 ( -4.017 -0.000 0.000) 4.017 4.214 ( 1.830 0.000 0.000) 1.830 4.233 ( 1.394 0.000 0.000) 1.394 7.640 ( 0.400 0.000 0.000) 0.400 7.654 ( 0.415 0.000 0.000) 0.415 7.810 ( -0.295 -0.000 0.000) 0.295 7.871 ( 1.265 0.000 0.000) 1.265 7.889 ( 1.077 0.000 0.000) 1.077 7.966 ( 0.018 0.000 0.000) 0.018 8.105 ( -0.787 -0.000 0.000) 0.787 8.326 ( 1.112 0.000 0.000) 1.112 8.499 ( 0.405 0.000 0.000) 0.405 8.611 ( -0.233 -0.000 0.000) 0.233 8.629 ( -0.114 -0.000 0.000) 0.114 8.672 ( -2.153 -0.000 0.000) 2.153 ======================= Grid point 17 (12/48) ======================= q-point: ( 0.43 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 9.970 -9.686 0.000) 13.900 0.733 ( 10.716 -14.903 0.000) 18.356 0.783 ( -5.075 -7.104 0.000) 8.731 0.988 ( -4.492 -12.267 0.000) 13.064 0.991 ( 8.223 -4.423 0.000) 9.337 1.174 ( 7.612 -6.449 0.000) 9.977 1.192 ( 11.115 -4.213 0.000) 11.887 1.235 ( -8.080 -3.897 0.000) 8.971 1.245 ( 8.033 -3.959 0.000) 8.955 1.302 ( -0.372 -5.287 0.000) 5.300 1.360 ( 8.972 -3.003 0.000) 9.462 1.404 ( -1.976 -2.664 0.000) 3.317 1.472 ( -0.884 -3.165 0.000) 3.286 1.482 ( 2.122 -3.670 0.000) 4.239 1.518 ( 5.263 -8.083 0.000) 9.645 1.546 ( 3.349 -1.164 0.000) 3.545 1.549 ( -6.488 -3.228 0.000) 7.247 1.603 ( -2.707 -1.403 0.000) 3.049 1.663 ( 0.240 3.060 0.000) 3.070 1.728 ( -1.028 -2.652 0.000) 2.844 1.749 ( 0.593 -0.932 0.000) 1.104 1.789 ( -1.315 1.210 0.000) 1.787 1.840 ( 0.994 -3.947 0.000) 4.070 1.852 ( -3.282 -1.560 0.000) 3.634 1.889 ( -3.901 -2.954 0.000) 4.893 1.899 ( -0.658 -0.123 0.000) 0.669 1.964 ( 0.996 -1.871 0.000) 2.119 1.975 ( -5.226 -0.412 0.000) 5.242 2.018 ( -3.422 -0.922 0.000) 3.544 2.032 ( -8.698 0.008 0.000) 8.698 2.087 ( 0.964 -5.224 0.000) 5.312 2.123 ( 1.545 -1.276 0.000) 2.004 2.155 ( -1.731 -0.691 0.000) 1.864 2.190 ( -0.147 -2.481 0.000) 2.485 2.225 ( -6.511 -4.194 0.000) 7.745 2.235 ( 0.069 -1.374 0.000) 1.375 2.282 ( 0.856 -1.993 0.000) 2.169 2.295 ( 0.060 0.186 0.000) 0.195 2.364 ( -2.730 -0.976 0.000) 2.899 2.395 ( -1.944 -6.736 0.000) 7.011 2.412 ( 2.767 0.440 0.000) 2.802 2.441 ( -1.169 -2.186 0.000) 2.479 2.446 ( -0.546 2.422 0.000) 2.483 2.503 ( -0.777 1.591 0.000) 1.770 2.510 ( -1.995 -1.975 0.000) 2.807 2.514 ( -1.209 1.579 0.000) 1.989 2.560 ( 2.587 -4.182 0.000) 4.917 2.595 ( 1.953 -3.361 0.000) 3.887 2.615 ( -2.843 -1.093 0.000) 3.046 2.693 ( -2.652 -0.682 0.000) 2.738 2.760 ( -0.496 -2.265 0.000) 2.319 2.782 ( -0.719 -0.091 0.000) 0.725 2.783 ( -1.205 3.875 0.000) 4.058 2.789 ( 1.137 -5.966 0.000) 6.073 2.819 ( -0.742 -0.155 0.000) 0.758 2.900 ( 2.601 -0.974 0.000) 2.777 2.934 ( 2.276 1.894 0.000) 2.961 2.970 ( 0.888 -3.411 0.000) 3.525 2.989 ( 0.596 -0.172 0.000) 0.620 3.035 ( -0.557 -2.805 0.000) 2.860 3.053 ( 1.397 -2.130 0.000) 2.547 3.094 ( 4.314 -1.993 0.000) 4.752 3.186 ( -1.784 -1.011 0.000) 2.051 3.217 ( -3.738 -0.858 0.000) 3.836 3.242 ( 3.676 -0.648 0.000) 3.732 3.271 ( 8.411 0.707 0.000) 8.441 3.287 ( 3.428 -1.926 0.000) 3.932 3.392 ( -1.725 1.949 0.000) 2.603 3.854 ( -0.981 -0.319 0.000) 1.031 3.866 ( -2.089 0.180 0.000) 2.097 4.223 ( 1.281 0.168 0.000) 1.292 4.237 ( 0.967 0.527 0.000) 1.102 7.649 ( 0.341 -0.545 0.000) 0.643 7.663 ( 0.344 -0.543 0.000) 0.643 7.821 ( -0.471 -1.049 0.000) 1.150 7.876 ( 0.853 0.081 0.000) 0.857 7.898 ( 0.604 -0.158 0.000) 0.624 7.966 ( -0.187 -0.146 0.000) 0.237 8.094 ( -0.320 0.706 0.000) 0.775 8.248 ( 2.520 6.823 0.000) 7.273 8.493 ( 0.382 0.750 0.000) 0.842 8.601 ( -0.345 2.395 0.000) 2.420 8.625 ( 0.023 -1.261 0.000) 1.261 8.668 ( -1.627 -0.709 0.000) 1.774 ======================= Grid point 18 (13/48) ======================= q-point: ( 0.57 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 5.570 -9.894 0.000) 11.355 0.913 ( -3.987 -8.766 0.000) 9.631 1.025 ( 7.194 -7.909 0.000) 10.692 1.154 ( 6.762 -5.967 0.000) 9.018 1.198 ( 0.751 -5.261 0.000) 5.314 1.255 ( -5.993 -5.312 0.000) 8.008 1.263 ( -5.365 -4.033 0.000) 6.712 1.290 ( -1.689 -2.258 0.000) 2.820 1.372 ( 0.774 -1.845 0.000) 2.000 1.448 ( 3.554 -1.675 0.000) 3.929 1.449 ( 0.473 -4.914 0.000) 4.937 1.456 ( 1.005 2.056 0.000) 2.288 1.501 ( 3.074 -9.263 0.000) 9.760 1.591 ( -5.334 -5.885 0.000) 7.943 1.624 ( -0.593 -6.572 0.000) 6.599 1.653 ( 0.635 -7.946 0.000) 7.972 1.688 ( 0.332 -5.646 0.000) 5.656 1.702 ( 5.382 -4.138 0.000) 6.789 1.719 ( 3.604 -1.636 0.000) 3.958 1.770 ( -2.904 -3.334 0.000) 4.422 1.796 ( 5.037 -6.032 0.000) 7.859 1.826 ( 3.052 -4.127 0.000) 5.133 1.876 ( -2.561 -0.282 0.000) 2.577 1.878 ( -1.827 -1.899 0.000) 2.635 1.895 ( -1.039 -1.584 0.000) 1.895 1.925 ( -1.330 2.605 0.000) 2.925 1.938 ( -0.321 -1.022 0.000) 1.071 1.998 ( -7.445 -3.054 0.000) 8.047 2.024 ( 0.421 -5.191 0.000) 5.208 2.043 ( -2.101 -4.019 0.000) 4.535 2.141 ( -0.559 -0.531 0.000) 0.771 2.168 ( 0.655 -1.092 0.000) 1.273 2.193 ( -2.702 0.825 0.000) 2.825 2.200 ( -1.453 1.703 0.000) 2.239 2.251 ( 0.318 -8.228 0.000) 8.234 2.267 ( -0.758 -1.334 0.000) 1.534 2.279 ( -0.098 2.490 0.000) 2.492 2.341 ( 3.336 -0.352 0.000) 3.354 2.395 ( -3.348 -2.662 0.000) 4.278 2.407 ( 0.087 -1.314 0.000) 1.317 2.447 ( 1.793 -3.182 0.000) 3.653 2.460 ( -0.194 -0.033 0.000) 0.197 2.507 ( 2.721 -1.136 0.000) 2.948 2.524 ( 1.088 -1.520 0.000) 1.869 2.559 ( -2.716 -5.865 0.000) 6.464 2.562 ( -4.264 -4.070 0.000) 5.895 2.617 ( 1.499 -2.463 0.000) 2.884 2.653 ( 2.225 -2.730 0.000) 3.522 2.670 ( -1.952 -3.133 0.000) 3.692 2.718 ( -0.315 -2.745 0.000) 2.763 2.735 ( -0.968 -2.852 0.000) 3.012 2.746 ( -0.367 1.620 0.000) 1.661 2.810 ( -0.228 -1.753 0.000) 1.768 2.812 ( 1.475 1.659 0.000) 2.220 2.864 ( -1.787 3.971 0.000) 4.354 2.895 ( 0.214 2.140 0.000) 2.151 2.926 ( 3.432 -3.579 0.000) 4.958 2.979 ( -0.578 1.661 0.000) 1.759 3.039 ( -0.074 -4.129 0.000) 4.129 3.105 ( 0.591 -1.905 0.000) 1.995 3.118 ( -0.152 -4.092 0.000) 4.095 3.153 ( 2.163 -1.764 0.000) 2.791 3.198 ( -0.926 -1.004 0.000) 1.366 3.214 ( -3.743 -1.285 0.000) 3.958 3.264 ( 1.502 0.004 0.000) 1.502 3.293 ( 4.183 1.255 0.000) 4.367 3.333 ( -0.841 2.601 0.000) 2.733 3.341 ( 1.671 -1.024 0.000) 1.960 3.856 ( -0.297 -0.210 0.000) 0.363 3.861 ( -0.376 -0.190 0.000) 0.421 4.223 ( 0.496 0.419 0.000) 0.650 4.225 ( 0.267 0.948 0.000) 0.985 7.663 ( 0.121 -0.670 0.000) 0.681 7.675 ( 0.091 -0.428 0.000) 0.438 7.832 ( -0.507 -0.398 0.000) 0.645 7.889 ( 0.101 -1.021 0.000) 1.026 7.900 ( 0.107 0.055 0.000) 0.120 7.975 ( 0.056 -0.920 0.000) 0.922 8.065 ( 0.706 2.903 0.000) 2.988 8.127 ( 0.765 5.486 0.000) 5.539 8.482 ( 0.251 0.406 0.000) 0.477 8.541 ( -0.404 2.957 0.000) 2.985 8.656 ( 0.134 -1.654 0.000) 1.659 8.676 ( -0.591 -0.697 0.000) 0.914 ======================= Grid point 19 (14/48) ======================= q-point: ( 0.71 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -0.000 -0.034 0.000) 0.034 1.082 ( 0.000 5.877 0.000) 5.877 1.105 ( -0.000 -10.274 0.000) 10.274 1.260 ( 0.000 1.826 0.000) 1.826 1.268 ( -0.000 -4.822 0.000) 4.822 1.280 ( 0.000 0.056 0.000) 0.056 1.299 ( -0.000 -4.666 0.000) 4.666 1.328 ( 0.000 5.645 0.000) 5.645 1.343 ( -0.000 -4.422 0.000) 4.422 1.426 ( 0.000 0.906 0.000) 0.906 1.529 ( -0.000 -3.284 0.000) 3.284 1.591 ( -0.000 -6.763 0.000) 6.763 1.657 ( -0.000 -2.889 0.000) 2.889 1.681 ( 0.000 0.245 0.000) 0.245 1.704 ( -0.000 -6.278 0.000) 6.278 1.718 ( 0.000 0.832 0.000) 0.832 1.751 ( -0.000 -0.441 0.000) 0.441 1.782 ( -0.000 -2.097 0.000) 2.097 1.805 ( 0.000 2.910 0.000) 2.910 1.821 ( 0.000 4.520 0.000) 4.520 1.837 ( -0.000 -4.423 0.000) 4.423 1.846 ( -0.000 -9.532 0.000) 9.532 1.892 ( 0.000 4.048 0.000) 4.048 1.895 ( -0.000 -5.660 0.000) 5.660 1.911 ( -0.000 -0.041 0.000) 0.041 1.953 ( -0.000 -4.962 0.000) 4.962 2.005 ( -0.000 -0.514 0.000) 0.514 2.110 ( 0.000 0.304 0.000) 0.304 2.112 ( 0.000 2.547 0.000) 2.547 2.117 ( -0.000 -0.103 0.000) 0.103 2.134 ( -0.000 -9.140 0.000) 9.140 2.143 ( -0.000 -4.646 0.000) 4.646 2.197 ( -0.000 -4.766 0.000) 4.766 2.216 ( -0.000 -1.301 0.000) 1.301 2.243 ( 0.000 0.426 0.000) 0.426 2.260 ( 0.000 2.210 0.000) 2.210 2.359 ( 0.000 10.495 0.000) 10.495 2.380 ( -0.000 -4.561 0.000) 4.561 2.384 ( -0.000 -1.708 0.000) 1.708 2.428 ( 0.000 2.808 0.000) 2.808 2.456 ( -0.000 -3.128 0.000) 3.128 2.467 ( -0.000 -1.376 0.000) 1.376 2.502 ( 0.000 2.624 0.000) 2.624 2.560 ( -0.000 -4.427 0.000) 4.427 2.586 ( -0.000 -2.763 0.000) 2.763 2.616 ( 0.000 2.004 0.000) 2.004 2.697 ( -0.000 -1.745 0.000) 1.745 2.708 ( 0.000 1.003 0.000) 1.003 2.716 ( 0.000 0.387 0.000) 0.387 2.734 ( -0.000 -0.106 0.000) 0.106 2.771 ( -0.000 -7.737 0.000) 7.737 2.787 ( -0.000 -2.208 0.000) 2.208 2.816 ( 0.000 1.378 0.000) 1.378 2.832 ( -0.000 -2.433 0.000) 2.433 2.873 ( -0.000 -2.329 0.000) 2.329 2.881 ( 0.000 6.058 0.000) 6.058 2.891 ( -0.000 -6.504 0.000) 6.504 2.967 ( 0.000 1.649 0.000) 1.649 3.104 ( 0.000 2.376 0.000) 2.376 3.111 ( -0.000 -2.377 0.000) 2.377 3.143 ( 0.000 1.521 0.000) 1.521 3.204 ( 0.000 1.214 0.000) 1.214 3.214 ( -0.000 -2.492 0.000) 2.492 3.220 ( -0.000 -1.091 0.000) 1.091 3.260 ( 0.000 1.065 0.000) 1.065 3.281 ( 0.000 2.681 0.000) 2.681 3.292 ( -0.000 -0.293 0.000) 0.293 3.347 ( 0.000 0.468 0.000) 0.468 3.856 ( 0.000 0.046 0.000) 0.046 3.861 ( 0.000 0.058 0.000) 0.058 4.208 ( 0.000 0.740 0.000) 0.740 4.216 ( 0.000 0.429 0.000) 0.429 7.675 ( -0.000 -0.406 0.000) 0.406 7.679 ( 0.000 0.078 0.000) 0.078 7.842 ( -0.000 -1.118 0.000) 1.118 7.902 ( -0.000 -0.328 0.000) 0.328 7.911 ( -0.000 -0.909 0.000) 0.909 7.977 ( 0.000 4.977 0.000) 4.977 8.005 ( -0.000 -2.113 0.000) 2.113 8.058 ( 0.000 2.757 0.000) 2.757 8.485 ( -0.000 -0.794 0.000) 0.794 8.488 ( 0.000 2.028 0.000) 2.028 8.683 ( -0.000 -0.074 0.000) 0.074 8.687 ( -0.000 -1.262 0.000) 1.262 ======================= Grid point 25 (15/48) ======================= q-point: ( 0.43 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 10.447 0.000 0.000) 10.447 0.609 ( 12.450 0.000 0.000) 12.450 0.662 ( -6.926 -0.000 0.000) 6.926 0.781 ( -9.205 -0.000 0.000) 9.205 1.007 ( 8.960 0.000 0.000) 8.960 1.139 ( -8.890 -0.000 0.000) 8.890 1.159 ( 1.156 0.000 0.000) 1.156 1.242 ( 13.107 0.000 0.000) 13.107 1.245 ( -0.726 -0.000 0.000) 0.726 1.339 ( 17.812 0.000 0.000) 17.812 1.342 ( 4.868 0.000 0.000) 4.868 1.363 ( -0.860 -0.000 0.000) 0.860 1.412 ( -1.730 -0.000 0.000) 1.730 1.421 ( -6.350 -0.000 0.000) 6.350 1.479 ( 7.065 0.000 0.000) 7.065 1.486 ( 1.577 0.000 0.000) 1.577 1.534 ( 0.311 0.000 0.000) 0.311 1.591 ( -1.276 -0.000 0.000) 1.276 1.686 ( -3.019 -0.000 0.000) 3.019 1.703 ( -11.981 -0.000 0.000) 11.981 1.746 ( 1.860 0.000 0.000) 1.860 1.785 ( -2.085 -0.000 0.000) 2.085 1.803 ( 1.175 0.000 0.000) 1.175 1.841 ( -2.745 -0.000 0.000) 2.745 1.864 ( 0.479 0.000 0.000) 0.479 1.875 ( -1.179 -0.000 0.000) 1.179 1.909 ( -0.962 -0.000 0.000) 0.962 1.939 ( 0.580 0.000 0.000) 0.580 1.961 ( -9.851 -0.000 0.000) 9.851 1.988 ( -2.033 -0.000 0.000) 2.033 2.040 ( 0.656 0.000 0.000) 0.656 2.107 ( 1.129 0.000 0.000) 1.129 2.141 ( 0.484 0.000 0.000) 0.484 2.146 ( 1.846 0.000 0.000) 1.846 2.192 ( -1.295 -0.000 0.000) 1.295 2.216 ( 4.565 0.000 0.000) 4.565 2.261 ( -1.027 -0.000 0.000) 1.027 2.287 ( -2.668 -0.000 0.000) 2.668 2.306 ( -2.640 -0.000 0.000) 2.640 2.314 ( -5.218 -0.000 0.000) 5.218 2.414 ( 1.278 0.000 0.000) 1.278 2.470 ( 2.819 0.000 0.000) 2.819 2.478 ( -0.341 -0.000 0.000) 0.341 2.496 ( -0.612 -0.000 0.000) 0.612 2.502 ( 0.832 0.000 0.000) 0.832 2.510 ( 1.765 0.000 0.000) 1.765 2.547 ( 0.752 0.000 0.000) 0.752 2.562 ( -1.063 -0.000 0.000) 1.063 2.575 ( -5.946 -0.000 0.000) 5.946 2.682 ( -0.648 -0.000 0.000) 0.648 2.694 ( 0.747 0.000 0.000) 0.747 2.727 ( -0.069 -0.000 0.000) 0.069 2.796 ( -1.305 -0.000 0.000) 1.305 2.800 ( -0.194 -0.000 0.000) 0.194 2.836 ( -0.921 -0.000 0.000) 0.921 2.907 ( 4.009 0.000 0.000) 4.009 2.914 ( 1.114 0.000 0.000) 1.114 2.945 ( -1.331 -0.000 0.000) 1.331 3.017 ( 0.252 0.000 0.000) 0.252 3.020 ( 2.251 0.000 0.000) 2.251 3.033 ( 0.489 0.000 0.000) 0.489 3.107 ( 5.304 0.000 0.000) 5.304 3.162 ( -1.259 -0.000 0.000) 1.259 3.181 ( -4.462 -0.000 0.000) 4.462 3.256 ( 2.452 0.000 0.000) 2.452 3.284 ( 1.881 0.000 0.000) 1.881 3.335 ( 7.009 0.000 0.000) 7.009 3.398 ( -2.619 -0.000 0.000) 2.619 3.843 ( -0.770 -0.000 0.000) 0.770 3.850 ( -2.103 -0.000 0.000) 2.103 4.233 ( 0.737 0.000 0.000) 0.737 4.249 ( 0.671 0.000 0.000) 0.671 7.646 ( 0.274 0.000 0.000) 0.274 7.659 ( 0.299 0.000 0.000) 0.299 7.808 ( -0.004 -0.000 0.000) 0.004 7.885 ( 0.559 0.000 0.000) 0.559 7.899 ( 0.340 0.000 0.000) 0.340 7.962 ( -0.378 -0.000 0.000) 0.378 8.096 ( -0.400 -0.000 0.000) 0.400 8.337 ( 0.506 0.000 0.000) 0.506 8.503 ( 0.181 0.000 0.000) 0.181 8.611 ( 0.049 0.000 0.000) 0.049 8.628 ( -0.063 -0.000 0.000) 0.063 8.650 ( -0.892 -0.000 0.000) 0.892 ======================= Grid point 26 (16/48) ======================= q-point: ( 0.57 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 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.000 -8.160 0.000) 8.160 0.704 ( -0.000 -7.719 0.000) 7.719 0.842 ( -0.000 -12.751 0.000) 12.751 0.917 ( -0.000 -15.423 0.000) 15.423 1.093 ( -0.000 -3.534 0.000) 3.534 1.132 ( -0.000 -4.203 0.000) 4.203 1.184 ( -0.000 -2.218 0.000) 2.218 1.263 ( -0.000 -1.417 0.000) 1.417 1.342 ( -0.000 -0.326 0.000) 0.326 1.347 ( -0.000 -5.156 0.000) 5.156 1.378 ( -0.000 -2.605 0.000) 2.605 1.447 ( -0.000 -5.647 0.000) 5.647 1.447 ( -0.000 -4.690 0.000) 4.690 1.452 ( -0.000 -2.501 0.000) 2.501 1.551 ( 0.000 1.198 0.000) 1.198 1.563 ( -0.000 -1.762 0.000) 1.762 1.582 ( -0.000 -3.006 0.000) 3.006 1.603 ( -0.000 -8.522 0.000) 8.522 1.666 ( -0.000 -3.928 0.000) 3.928 1.695 ( -0.000 -1.581 0.000) 1.581 1.771 ( -0.000 -1.994 0.000) 1.994 1.786 ( 0.000 3.062 0.000) 3.062 1.806 ( -0.000 -2.718 0.000) 2.718 1.842 ( -0.000 -1.255 0.000) 1.255 1.855 ( -0.000 -4.473 0.000) 4.473 1.884 ( -0.000 -1.266 0.000) 1.266 1.898 ( 0.000 0.081 0.000) 0.081 1.974 ( -0.000 -0.784 0.000) 0.784 1.979 ( -0.000 -2.600 0.000) 2.600 1.984 ( -0.000 -0.329 0.000) 0.329 2.094 ( -0.000 -5.295 0.000) 5.295 2.141 ( -0.000 -0.673 0.000) 0.673 2.155 ( 0.000 1.278 0.000) 1.278 2.164 ( -0.000 -3.119 0.000) 3.119 2.201 ( -0.000 -4.460 0.000) 4.460 2.228 ( 0.000 2.326 0.000) 2.326 2.290 ( -0.000 -3.292 0.000) 3.292 2.301 ( -0.000 -0.023 0.000) 0.023 2.342 ( -0.000 -6.994 0.000) 6.994 2.376 ( -0.000 -6.850 0.000) 6.850 2.432 ( -0.000 -1.880 0.000) 1.880 2.439 ( 0.000 4.841 0.000) 4.841 2.445 ( 0.000 2.870 0.000) 2.870 2.491 ( -0.000 -1.691 0.000) 1.691 2.500 ( 0.000 1.634 0.000) 1.634 2.504 ( -0.000 -1.480 0.000) 1.480 2.584 ( -0.000 -1.538 0.000) 1.538 2.595 ( -0.000 -6.008 0.000) 6.008 2.615 ( -0.000 -2.857 0.000) 2.857 2.662 ( 0.000 1.316 0.000) 1.316 2.758 ( -0.000 -2.961 0.000) 2.961 2.775 ( 0.000 4.128 0.000) 4.128 2.776 ( 0.000 1.516 0.000) 1.516 2.798 ( -0.000 -7.989 0.000) 7.989 2.812 ( -0.000 -1.289 0.000) 1.289 2.924 ( 0.000 1.571 0.000) 1.571 2.962 ( -0.000 -2.952 0.000) 2.952 2.976 ( -0.000 -3.525 0.000) 3.525 2.977 ( 0.000 3.947 0.000) 3.947 3.031 ( -0.000 -1.879 0.000) 1.879 3.064 ( -0.000 -2.029 0.000) 2.029 3.155 ( 0.000 0.028 0.000) 0.028 3.159 ( -0.000 -2.091 0.000) 2.091 3.174 ( -0.000 -1.199 0.000) 1.199 3.267 ( -0.000 -0.229 0.000) 0.229 3.314 ( -0.000 -1.931 0.000) 1.931 3.350 ( 0.000 1.847 0.000) 1.847 3.364 ( 0.000 1.304 0.000) 1.304 3.846 ( -0.000 -0.489 0.000) 0.489 3.849 ( -0.000 -0.565 0.000) 0.565 4.232 ( 0.000 0.253 0.000) 0.253 4.244 ( 0.000 0.672 0.000) 0.672 7.652 ( -0.000 -0.488 0.000) 0.488 7.666 ( -0.000 -0.465 0.000) 0.465 7.818 ( -0.000 -0.804 0.000) 0.804 7.883 ( 0.000 0.205 0.000) 0.205 7.902 ( -0.000 -0.069 0.000) 0.069 7.963 ( -0.000 -0.311 0.000) 0.311 8.091 ( 0.000 0.428 0.000) 0.428 8.266 ( 0.000 6.419 0.000) 6.419 8.495 ( 0.000 0.720 0.000) 0.720 8.598 ( 0.000 2.550 0.000) 2.550 8.625 ( -0.000 -1.292 0.000) 1.292 8.657 ( -0.000 -0.816 0.000) 0.816 ======================= Grid point 53 (17/48) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 0.000 0.000 13.783) 13.783 0.298 ( 0.000 0.000 15.893) 15.893 0.635 ( 0.000 0.000 -6.455) 6.455 0.638 ( 0.000 0.000 34.979) 34.979 0.693 ( 0.000 0.000 -4.812) 4.812 0.913 ( 0.000 0.000 8.594) 8.594 0.918 ( 0.000 0.000 4.932) 4.932 1.192 ( 0.000 0.000 -0.806) 0.806 1.212 ( 0.000 0.000 -0.915) 0.915 1.275 ( 0.000 0.000 -2.282) 2.282 1.308 ( 0.000 0.000 0.714) 0.714 1.361 ( 0.000 0.000 6.542) 6.542 1.374 ( 0.000 0.000 2.298) 2.298 1.501 ( 0.000 0.000 1.881) 1.881 1.572 ( 0.000 0.000 -1.453) 1.453 1.584 ( 0.000 0.000 -4.052) 4.052 1.600 ( 0.000 0.000 1.273) 1.273 1.618 ( 0.000 0.000 0.513) 0.513 1.651 ( 0.000 0.000 -9.217) 9.217 1.740 ( 0.000 0.000 -17.894) 17.894 1.751 ( 0.000 0.000 4.693) 4.693 1.777 ( 0.000 0.000 -3.852) 3.852 1.819 ( 0.000 0.000 -12.243) 12.243 1.833 ( 0.000 0.000 3.190) 3.190 1.843 ( 0.000 0.000 0.719) 0.719 1.899 ( 0.000 0.000 1.527) 1.527 1.901 ( 0.000 0.000 -6.010) 6.010 1.904 ( 0.000 0.000 2.842) 2.842 1.942 ( 0.000 0.000 2.045) 2.045 2.049 ( 0.000 0.000 -4.519) 4.519 2.113 ( 0.000 0.000 8.793) 8.793 2.210 ( 0.000 0.000 0.743) 0.743 2.230 ( 0.000 0.000 0.977) 0.977 2.263 ( 0.000 0.000 -0.661) 0.661 2.277 ( 0.000 0.000 4.774) 4.774 2.298 ( 0.000 0.000 -2.526) 2.526 2.300 ( 0.000 0.000 3.280) 3.280 2.354 ( 0.000 0.000 1.103) 1.103 2.365 ( 0.000 0.000 6.800) 6.800 2.414 ( 0.000 0.000 -5.138) 5.138 2.453 ( 0.000 0.000 1.775) 1.775 2.467 ( 0.000 0.000 3.245) 3.245 2.475 ( 0.000 0.000 -0.203) 0.203 2.565 ( 0.000 0.000 -2.908) 2.908 2.576 ( 0.000 0.000 6.557) 6.557 2.582 ( 0.000 0.000 -6.419) 6.419 2.607 ( 0.000 0.000 -1.062) 1.062 2.610 ( 0.000 0.000 -0.474) 0.474 2.615 ( 0.000 0.000 -5.346) 5.346 2.623 ( 0.000 0.000 -5.609) 5.609 2.626 ( 0.000 0.000 -1.138) 1.138 2.737 ( 0.000 0.000 2.996) 2.996 2.789 ( 0.000 0.000 3.916) 3.916 2.793 ( 0.000 0.000 -1.342) 1.342 2.836 ( 0.000 0.000 -1.182) 1.182 2.837 ( 0.000 0.000 2.908) 2.908 2.895 ( 0.000 0.000 -0.746) 0.746 2.917 ( 0.000 0.000 0.803) 0.803 2.920 ( 0.000 0.000 -2.154) 2.154 2.982 ( 0.000 0.000 -1.591) 1.591 3.011 ( 0.000 0.000 0.080) 0.080 3.043 ( 0.000 0.000 4.024) 4.024 3.115 ( 0.000 0.000 2.525) 2.525 3.138 ( 0.000 0.000 0.317) 0.317 3.147 ( 0.000 0.000 0.041) 0.041 3.157 ( 0.000 0.000 1.872) 1.872 3.262 ( 0.000 0.000 0.149) 0.149 3.454 ( 0.000 0.000 -5.858) 5.858 3.864 ( 0.000 0.000 0.233) 0.233 3.874 ( 0.000 0.000 -0.217) 0.217 4.182 ( 0.000 0.000 0.773) 0.773 4.206 ( 0.000 0.000 -0.338) 0.338 7.638 ( 0.000 0.000 0.265) 0.265 7.648 ( 0.000 0.000 -0.145) 0.145 7.826 ( 0.000 0.000 0.549) 0.549 7.850 ( 0.000 0.000 -0.324) 0.324 7.885 ( 0.000 0.000 2.575) 2.575 8.010 ( 0.000 0.000 -2.802) 2.802 8.064 ( 0.000 0.000 0.976) 0.976 8.108 ( 0.000 0.000 -0.969) 0.969 8.511 ( 0.000 0.000 2.108) 2.108 8.609 ( 0.000 0.000 -2.274) 2.274 8.690 ( 0.000 0.000 0.528) 0.528 8.711 ( 0.000 0.000 -0.425) 0.425 ======================= Grid point 54 (18/48) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 10.831 -10.994 8.052) 17.407 0.563 ( 2.648 -11.653 15.888) 19.880 0.740 ( 4.519 -7.544 -5.689) 10.474 0.864 ( 4.068 -20.393 12.151) 24.084 0.884 ( 3.686 -16.725 2.709) 17.340 0.963 ( 0.809 -5.275 6.578) 8.470 1.038 ( 3.025 -8.380 4.032) 9.779 1.204 ( 0.299 -1.465 -0.864) 1.726 1.321 ( -0.984 -6.405 -1.029) 6.561 1.331 ( -1.880 -5.705 -1.470) 6.184 1.347 ( -0.404 -5.292 0.509) 5.332 1.389 ( -0.366 -3.090 5.617) 6.421 1.423 ( 3.050 -3.918 1.889) 5.313 1.517 ( -1.771 -0.854 -2.125) 2.895 1.520 ( -2.130 -2.151 3.104) 4.336 1.584 ( -1.256 0.106 1.048) 1.639 1.624 ( 1.353 -2.021 -0.777) 2.553 1.648 ( -1.796 -2.760 -1.863) 3.784 1.673 ( -1.304 -2.272 -6.445) 6.957 1.723 ( -0.080 1.272 1.283) 1.809 1.767 ( -1.342 -0.620 -4.266) 4.515 1.788 ( -2.062 -4.105 -12.711) 13.516 1.814 ( 0.712 1.049 4.667) 4.836 1.867 ( -1.671 -2.804 1.392) 3.549 1.881 ( 3.086 -2.682 0.000) 4.089 1.900 ( 1.754 -4.652 -8.608) 9.940 1.940 ( -0.710 -1.098 0.693) 1.480 1.966 ( -0.135 -1.999 -0.009) 2.004 1.984 ( 1.422 -3.818 -1.790) 4.450 2.029 ( -0.506 -0.241 -3.658) 3.701 2.117 ( -0.052 -2.996 -1.434) 3.322 2.170 ( -1.709 3.738 2.500) 4.811 2.215 ( 0.079 -0.821 0.352) 0.897 2.237 ( -0.935 -0.466 0.469) 1.145 2.269 ( -2.929 0.186 4.122) 5.060 2.307 ( -1.006 0.498 -0.024) 1.123 2.338 ( -0.507 -1.054 -1.288) 1.740 2.357 ( 0.527 -0.282 1.398) 1.521 2.392 ( -1.413 2.048 -1.395) 2.853 2.402 ( -0.396 1.856 1.011) 2.150 2.448 ( -1.118 -0.878 1.761) 2.263 2.473 ( -1.561 -2.276 0.287) 2.775 2.478 ( -0.016 3.782 -2.052) 4.303 2.485 ( 0.160 -0.804 1.975) 2.138 2.568 ( -0.750 -0.247 -0.682) 1.043 2.582 ( -4.604 -0.809 2.128) 5.136 2.609 ( -0.831 -3.487 -0.623) 3.639 2.628 ( 1.401 -0.618 0.250) 1.552 2.656 ( -1.489 -2.501 -2.618) 3.915 2.679 ( 0.244 -2.946 -4.505) 5.388 2.702 ( 3.419 -3.639 -2.796) 5.722 2.749 ( 0.447 0.714 1.282) 1.534 2.802 ( -1.816 -4.832 0.787) 5.222 2.835 ( 1.895 -0.796 1.304) 2.435 2.851 ( -0.365 -1.087 0.013) 1.147 2.874 ( 0.986 0.803 0.164) 1.282 2.916 ( 0.360 -2.427 -0.294) 2.471 2.925 ( 2.641 -2.422 0.223) 3.591 2.945 ( 0.692 -1.909 0.870) 2.209 2.997 ( -0.459 -1.837 -1.248) 2.267 3.027 ( 0.690 -1.868 0.724) 2.118 3.080 ( -1.197 -2.379 1.482) 3.048 3.092 ( -3.788 -1.082 2.225) 4.524 3.140 ( 0.207 -1.531 -0.454) 1.611 3.177 ( 6.467 -0.528 2.470) 6.942 3.213 ( 2.388 -1.958 0.716) 3.170 3.255 ( -0.233 -0.063 1.272) 1.295 3.460 ( -2.450 0.912 -5.831) 6.390 3.869 ( 0.805 0.141 -0.199) 0.841 3.873 ( -0.093 0.067 -0.135) 0.178 4.190 ( 0.659 -0.373 0.586) 0.958 4.209 ( 0.465 -0.034 -0.280) 0.544 7.646 ( 0.050 -0.663 0.274) 0.719 7.655 ( 0.066 -0.661 -0.144) 0.680 7.849 ( -0.027 -2.004 0.594) 2.091 7.861 ( 0.653 -0.885 0.272) 1.133 7.886 ( 0.582 -0.008 1.834) 1.925 7.982 ( -1.119 1.332 0.264) 1.760 8.022 ( 4.068 3.117 0.958) 5.214 8.137 ( 0.103 0.595 -3.836) 3.884 8.502 ( 0.031 0.931 2.040) 2.242 8.590 ( -0.253 1.584 -1.977) 2.546 8.660 ( -0.653 0.561 1.968) 2.148 8.711 ( -1.032 0.215 -1.128) 1.544 ======================= Grid point 55 (19/48) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 10.080 -10.657 4.771) 15.426 0.801 ( 3.452 -11.125 13.292) 17.674 0.947 ( 4.332 -9.065 -4.608) 11.053 1.084 ( -1.107 -6.398 5.337) 8.405 1.173 ( 1.922 -8.713 -1.746) 9.091 1.207 ( 2.333 -8.282 -1.201) 8.687 1.265 ( 1.375 -4.219 0.978) 4.544 1.371 ( 3.399 -12.972 -0.710) 13.429 1.408 ( -0.495 -2.646 2.755) 3.852 1.424 ( -3.757 -6.814 1.585) 7.941 1.468 ( -1.972 -7.224 0.351) 7.497 1.474 ( 0.944 -6.361 2.880) 7.046 1.513 ( -2.046 0.603 4.635) 5.102 1.567 ( 0.736 -6.731 -0.917) 6.833 1.589 ( -0.489 -3.382 2.737) 4.378 1.606 ( 2.047 -5.430 -0.395) 5.816 1.660 ( -3.463 -2.417 -1.752) 4.572 1.703 ( 1.979 -2.263 -3.004) 4.250 1.714 ( 1.475 -2.147 -1.353) 2.935 1.726 ( -0.644 -2.027 -1.285) 2.485 1.781 ( -1.396 -1.349 -5.167) 5.520 1.840 ( -2.570 -2.160 -4.424) 5.554 1.847 ( 2.162 -2.870 3.275) 4.861 1.901 ( -2.984 -1.956 2.271) 4.230 1.918 ( -1.838 -1.578 -0.203) 2.430 1.967 ( 1.652 -2.099 -1.669) 3.149 1.979 ( -0.339 -1.144 -2.183) 2.488 2.037 ( 3.104 -4.366 -5.085) 7.386 2.053 ( -2.789 -2.243 -2.657) 4.458 2.085 ( -0.912 -1.954 0.794) 2.297 2.149 ( -1.452 -0.976 -2.837) 3.333 2.176 ( 1.615 -3.252 -2.945) 4.675 2.224 ( -2.064 1.538 -0.995) 2.760 2.226 ( -1.375 0.567 0.913) 1.746 2.251 ( -0.009 0.114 -0.433) 0.448 2.265 ( -1.233 0.825 -1.319) 1.985 2.309 ( 1.192 -0.560 2.195) 2.560 2.325 ( -0.679 3.433 1.592) 3.844 2.366 ( 1.719 -1.186 1.982) 2.879 2.424 ( -1.494 -2.173 -1.452) 3.011 2.430 ( -0.793 -2.803 0.452) 2.948 2.478 ( -0.342 -0.447 2.422) 2.486 2.499 ( 1.797 -1.145 -2.562) 3.332 2.535 ( -1.750 -3.019 1.057) 3.646 2.559 ( -3.028 -0.123 -0.002) 3.030 2.609 ( -1.267 -2.133 0.439) 2.520 2.648 ( -0.224 -1.876 0.000) 1.890 2.659 ( 1.186 -0.648 -1.247) 1.839 2.691 ( -1.693 -2.511 -3.319) 4.494 2.716 ( -1.929 -0.689 0.556) 2.123 2.725 ( 0.005 -0.256 -1.856) 1.873 2.797 ( 0.891 -0.898 -1.594) 2.035 2.830 ( -0.527 0.778 1.330) 1.629 2.852 ( -2.107 -1.149 0.624) 2.480 2.872 ( 1.177 -1.858 1.971) 2.953 2.916 ( -1.522 -3.356 1.678) 4.049 2.950 ( -1.200 -0.905 1.699) 2.269 2.969 ( -0.647 -1.252 1.214) 1.860 3.026 ( 1.812 -4.531 0.311) 4.889 3.047 ( 0.704 -2.557 -0.833) 2.780 3.081 ( 1.889 -2.373 -0.266) 3.045 3.092 ( 1.251 -0.648 -0.554) 1.514 3.153 ( 1.861 -3.973 1.978) 4.812 3.188 ( 3.427 -1.494 0.156) 3.742 3.224 ( 5.093 0.135 2.020) 5.480 3.256 ( -1.593 -1.626 0.615) 2.358 3.274 ( 1.587 -1.667 0.832) 2.448 3.389 ( -2.589 3.425 -3.133) 5.315 3.867 ( -0.161 0.209 0.095) 0.281 3.870 ( 0.136 0.324 0.093) 0.363 4.200 ( 0.763 -0.088 0.219) 0.799 4.211 ( 0.462 0.203 -0.228) 0.554 7.662 ( 0.090 -0.765 0.263) 0.814 7.670 ( 0.110 -0.634 -0.126) 0.656 7.871 ( -0.023 -0.436 1.696) 1.751 7.898 ( 0.612 -0.751 0.717) 1.205 7.907 ( -0.493 -2.646 0.419) 2.724 7.954 ( 1.162 1.386 -0.986) 2.060 7.986 ( 2.441 2.547 1.262) 3.747 8.096 ( -0.492 2.711 -2.860) 3.972 8.482 ( 0.214 0.879 1.547) 1.792 8.547 ( -0.501 2.305 -1.400) 2.743 8.663 ( -0.312 -0.813 0.858) 1.223 8.699 ( -0.990 0.127 -0.907) 1.349 ======================= Grid point 56 (20/48) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 7.464 -6.396 3.362) 10.388 1.026 ( 1.396 -7.158 7.121) 10.193 1.123 ( 1.267 -5.859 -1.027) 6.082 1.173 ( -0.119 -3.756 1.696) 4.123 1.244 ( -1.408 0.462 -1.065) 1.825 1.265 ( -2.486 4.175 3.733) 6.127 1.374 ( 2.154 -2.881 -0.148) 3.600 1.394 ( -0.927 -3.654 3.557) 5.183 1.436 ( 0.318 1.099 2.295) 2.564 1.478 ( -0.761 1.928 1.839) 2.771 1.534 ( -0.429 -1.731 -0.443) 1.838 1.562 ( -2.116 -0.628 -1.186) 2.506 1.591 ( -1.780 -6.624 -4.369) 8.132 1.657 ( 0.722 -3.912 -2.698) 4.807 1.669 ( 1.537 -1.127 -2.869) 3.444 1.694 ( 2.430 -2.610 -0.863) 3.669 1.719 ( 0.964 -0.602 -0.885) 1.440 1.732 ( -0.118 -0.447 -2.941) 2.977 1.764 ( -2.222 -1.986 -2.488) 3.882 1.792 ( 0.502 0.013 -4.823) 4.849 1.856 ( -1.379 -1.705 3.080) 3.781 1.862 ( 1.306 -1.763 1.713) 2.784 1.919 ( 0.030 2.215 -0.322) 2.238 1.926 ( -1.629 1.861 1.509) 2.897 1.935 ( 0.079 -4.034 -0.926) 4.139 1.965 ( -1.068 -2.613 0.945) 2.977 1.994 ( -1.246 -5.294 2.225) 5.876 2.059 ( -3.189 -1.347 -2.332) 4.174 2.111 ( 0.629 -0.126 -1.847) 1.955 2.121 ( 0.439 1.744 -0.893) 2.007 2.150 ( 0.322 -5.120 -0.440) 5.148 2.175 ( 0.240 0.382 -0.223) 0.503 2.194 ( 0.831 0.664 0.542) 1.194 2.216 ( 1.000 1.798 1.276) 2.421 2.241 ( -0.043 -0.323 -0.999) 1.051 2.294 ( -0.061 -1.157 -3.449) 3.639 2.335 ( -0.178 -3.406 -0.136) 3.413 2.363 ( 2.721 -0.406 -0.298) 2.767 2.399 ( 1.264 0.777 2.955) 3.306 2.446 ( -1.180 1.663 0.565) 2.116 2.469 ( 0.297 -0.980 0.072) 1.027 2.487 ( -3.807 -2.730 0.007) 4.684 2.523 ( 2.316 -0.818 -0.202) 2.465 2.567 ( 0.587 -3.245 1.697) 3.709 2.580 ( 0.170 0.686 -0.745) 1.027 2.616 ( -0.539 0.721 -0.858) 1.243 2.672 ( -0.229 -1.613 -1.689) 2.347 2.697 ( 0.257 -1.523 -2.167) 2.661 2.706 ( -0.966 -0.282 1.496) 1.803 2.726 ( -1.383 -0.862 0.594) 1.735 2.746 ( -0.002 -0.970 -1.048) 1.428 2.761 ( 0.542 -0.524 -1.073) 1.312 2.812 ( -0.489 1.984 0.089) 2.045 2.834 ( -1.310 2.529 -1.451) 3.197 2.896 ( -2.590 -0.640 0.918) 2.822 2.910 ( -1.604 1.256 -0.173) 2.044 2.967 ( -1.410 -2.350 2.651) 3.813 2.993 ( 0.440 0.438 1.110) 1.272 3.074 ( 1.390 -0.724 0.784) 1.752 3.083 ( 0.756 -0.495 0.880) 1.261 3.153 ( 0.275 -3.091 0.097) 3.105 3.154 ( 2.338 -1.598 -0.087) 2.833 3.219 ( 2.348 -1.271 -0.438) 2.706 3.240 ( 1.109 -0.661 1.672) 2.113 3.257 ( 2.408 -1.710 -0.965) 3.107 3.275 ( -0.070 -0.592 1.233) 1.370 3.297 ( -1.747 -0.456 -0.228) 1.820 3.321 ( -0.367 2.126 -0.346) 2.185 3.862 ( -0.210 0.109 0.327) 0.403 3.863 ( 0.123 0.337 0.323) 0.483 4.204 ( 0.460 0.031 -0.068) 0.466 4.207 ( 0.041 0.242 -0.200) 0.317 7.675 ( 0.081 -0.441 0.155) 0.474 7.679 ( 0.036 -0.114 -0.021) 0.122 7.882 ( -1.063 -1.156 0.658) 1.703 7.901 ( 1.227 1.313 0.411) 1.843 7.926 ( -0.258 -0.585 1.141) 1.308 7.943 ( 0.775 1.337 1.344) 2.048 7.990 ( 0.451 -2.155 -1.179) 2.498 8.040 ( -0.092 2.593 -2.077) 3.323 8.478 ( 0.484 -0.278 0.584) 0.808 8.501 ( -0.610 1.679 -0.477) 1.849 8.679 ( 0.152 -0.738 0.101) 0.760 8.692 ( -0.596 0.231 -0.454) 0.784 ======================= Grid point 61 (21/48) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 9.067 0.000 12.985) 15.837 0.485 ( 21.104 0.000 10.184) 23.433 0.690 ( 9.932 0.000 27.360) 29.108 0.718 ( 3.772 0.000 -3.506) 5.150 0.758 ( 15.957 0.000 -5.152) 16.768 0.937 ( 3.108 0.000 10.899) 11.334 0.941 ( 2.316 0.000 5.294) 5.778 1.192 ( -0.093 -0.000 -0.123) 0.155 1.230 ( 0.835 0.000 -1.491) 1.709 1.265 ( -1.433 -0.000 -4.025) 4.273 1.278 ( 0.376 0.000 -0.067) 0.382 1.354 ( -0.905 -0.000 6.224) 6.289 1.407 ( 2.635 0.000 2.097) 3.367 1.477 ( -3.386 -0.000 2.545) 4.236 1.515 ( -7.178 -0.000 1.316) 7.297 1.548 ( -3.183 -0.000 -3.199) 4.513 1.607 ( 0.226 0.000 -1.849) 1.863 1.628 ( 2.064 0.000 1.199) 2.387 1.636 ( -2.328 -0.000 -6.335) 6.749 1.719 ( -4.223 -0.000 -11.022) 11.803 1.740 ( -1.028 -0.000 3.372) 3.525 1.757 ( -1.947 -0.000 -10.015) 10.202 1.820 ( -0.419 -0.000 -5.976) 5.991 1.842 ( 0.809 0.000 3.262) 3.361 1.843 ( 2.756 0.000 -8.170) 8.622 1.901 ( -0.076 -0.000 2.069) 2.070 1.920 ( 1.503 0.000 1.806) 2.349 1.935 ( -0.808 -0.000 0.866) 1.184 1.946 ( 4.013 0.000 -3.426) 5.276 2.036 ( -2.821 -0.000 -4.327) 5.166 2.095 ( -1.301 -0.000 7.593) 7.703 2.171 ( -5.031 -0.000 2.898) 5.806 2.205 ( -0.790 -0.000 1.930) 2.085 2.245 ( -3.057 -0.000 -2.572) 3.995 2.251 ( -2.426 -0.000 6.182) 6.641 2.289 ( -1.434 -0.000 1.848) 2.340 2.326 ( 2.515 0.000 0.684) 2.606 2.351 ( -2.180 -0.000 4.460) 4.965 2.361 ( -1.662 -0.000 -2.005) 2.604 2.405 ( -0.895 -0.000 -2.510) 2.664 2.411 ( -5.044 -0.000 1.425) 5.241 2.459 ( -2.040 -0.000 -0.474) 2.094 2.473 ( 0.190 0.000 1.151) 1.167 2.546 ( -4.790 -0.000 -1.515) 5.024 2.560 ( -1.194 -0.000 -4.268) 4.432 2.574 ( -0.389 -0.000 -3.460) 3.482 2.580 ( 0.077 0.000 5.218) 5.218 2.605 ( -1.609 -0.000 0.531) 1.694 2.611 ( -0.151 -0.000 -1.653) 1.660 2.639 ( 2.021 0.000 -4.319) 4.769 2.659 ( 0.175 0.000 -2.662) 2.668 2.722 ( -0.377 -0.000 2.663) 2.689 2.793 ( -0.539 -0.000 -2.095) 2.163 2.819 ( -1.428 -0.000 -0.991) 1.738 2.836 ( 5.213 0.000 2.754) 5.896 2.882 ( -2.166 -0.000 0.230) 2.178 2.889 ( 6.558 0.000 2.596) 7.053 2.943 ( 3.478 0.000 0.291) 3.490 2.960 ( -4.074 -0.000 0.933) 4.179 2.966 ( 3.441 0.000 -1.293) 3.676 3.019 ( 0.323 0.000 0.667) 0.741 3.019 ( -1.410 -0.000 2.346) 2.737 3.061 ( 0.251 0.000 2.262) 2.276 3.112 ( 3.294 0.000 -1.890) 3.797 3.212 ( 5.887 0.000 3.403) 6.800 3.214 ( 1.811 0.000 0.330) 1.841 3.255 ( -1.068 -0.000 0.199) 1.087 3.439 ( -1.394 -0.000 -2.670) 3.012 3.870 ( -0.636 -0.000 -0.196) 0.665 3.884 ( 0.899 0.000 -2.439) 2.599 4.193 ( 1.515 0.000 0.625) 1.639 4.214 ( 1.052 0.000 -0.291) 1.092 7.639 ( 0.161 0.000 0.284) 0.326 7.649 ( 0.163 0.000 -0.140) 0.215 7.828 ( 0.287 0.000 1.102) 1.139 7.860 ( 1.446 0.000 -0.174) 1.457 7.894 ( 1.214 0.000 2.843) 3.091 7.987 ( -1.053 -0.000 0.895) 1.382 8.104 ( -0.547 -0.000 -0.940) 1.088 8.147 ( 7.510 0.000 -6.995) 10.263 8.512 ( 0.142 0.000 1.971) 1.976 8.605 ( -0.575 -0.000 -2.156) 2.231 8.668 ( -2.441 -0.000 1.521) 2.876 8.697 ( -1.865 -0.000 -0.448) 1.918 ======================= Grid point 62 (22/48) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 7.870 -11.560 9.444) 16.875 0.661 ( 12.706 -6.214 12.519) 18.888 0.824 ( 6.319 -6.765 -2.575) 9.609 0.946 ( 3.697 -8.663 6.962) 11.713 0.991 ( 11.038 -12.568 4.935) 17.440 1.001 ( 7.694 -8.980 1.387) 11.907 1.101 ( 6.182 -11.208 7.020) 14.599 1.217 ( 1.925 -2.775 -0.350) 3.396 1.269 ( -3.601 -3.574 -2.071) 5.480 1.309 ( -2.751 -5.338 -2.330) 6.441 1.379 ( 1.257 -3.127 4.292) 5.457 1.392 ( 3.776 -4.946 -0.364) 6.233 1.441 ( -1.776 -3.332 0.654) 3.832 1.483 ( -1.472 -2.521 3.187) 4.322 1.499 ( -0.149 -4.081 0.819) 4.165 1.551 ( -3.519 -1.808 -1.070) 4.099 1.604 ( -3.383 -0.055 -1.491) 3.698 1.640 ( -1.550 -3.263 -0.941) 3.733 1.662 ( 1.306 -1.926 -2.444) 3.375 1.720 ( -1.633 -0.988 -1.582) 2.479 1.724 ( -2.658 -2.168 -2.627) 4.321 1.766 ( -0.965 -1.576 -9.593) 9.769 1.817 ( -1.495 0.714 3.762) 4.110 1.858 ( 1.126 -1.826 -0.187) 2.154 1.908 ( -0.085 -2.358 -4.012) 4.654 1.929 ( -0.486 -0.133 0.042) 0.505 1.933 ( 2.311 -3.427 -2.695) 4.935 1.959 ( -0.850 -4.004 -2.299) 4.695 1.997 ( 0.535 -1.223 -3.154) 3.424 2.036 ( 1.702 -4.598 -4.141) 6.418 2.115 ( -1.826 -0.667 2.219) 2.950 2.134 ( -1.916 0.603 1.610) 2.574 2.193 ( -2.930 -0.058 0.917) 3.071 2.221 ( -3.711 0.464 4.221) 5.640 2.227 ( -0.483 -1.805 -0.938) 2.091 2.276 ( -1.992 0.656 0.553) 2.169 2.334 ( -1.387 0.514 2.611) 3.001 2.355 ( -0.612 -0.656 -2.595) 2.745 2.374 ( -3.110 0.934 -1.884) 3.755 2.386 ( -1.568 1.288 1.510) 2.530 2.404 ( -5.233 -3.902 1.457) 6.688 2.446 ( -1.646 -2.274 -1.028) 2.989 2.478 ( 0.511 2.632 -2.956) 3.991 2.495 ( 0.798 -0.086 -0.821) 1.148 2.508 ( -3.869 -0.123 1.159) 4.040 2.561 ( -2.109 -0.737 -0.560) 2.303 2.601 ( -0.035 -2.466 1.721) 3.007 2.618 ( -1.450 -1.045 1.221) 2.165 2.638 ( -1.833 -2.632 -0.283) 3.220 2.679 ( 0.078 -3.051 -2.338) 3.845 2.732 ( 0.719 -3.517 -2.175) 4.197 2.759 ( 0.807 1.389 -0.958) 1.870 2.781 ( -0.601 -4.636 1.411) 4.883 2.831 ( -0.620 -1.530 0.174) 1.660 2.858 ( -2.226 2.696 0.942) 3.621 2.893 ( 2.659 0.146 -0.677) 2.747 2.914 ( -0.951 -1.430 3.376) 3.788 2.953 ( 3.632 -2.498 1.139) 4.553 2.977 ( 2.253 -0.885 0.585) 2.490 3.009 ( 1.918 -2.323 -1.518) 3.373 3.039 ( 0.839 -2.572 0.110) 2.707 3.064 ( -0.420 -2.642 0.394) 2.704 3.122 ( 6.866 -2.253 -0.063) 7.226 3.176 ( 4.296 -2.569 -1.309) 5.174 3.226 ( 0.207 -0.282 1.080) 1.136 3.251 ( -0.139 -0.390 1.175) 1.246 3.256 ( 4.114 -0.850 2.158) 4.723 3.420 ( -2.447 1.381 -2.023) 3.462 3.866 ( -0.808 -0.051 -0.138) 0.822 3.877 ( -0.393 0.387 -0.929) 1.080 4.206 ( 1.566 -0.077 0.441) 1.629 4.220 ( 1.150 0.186 -0.195) 1.181 7.648 ( 0.237 -0.628 0.301) 0.736 7.657 ( 0.240 -0.637 -0.141) 0.696 7.849 ( 0.027 -1.603 1.662) 2.309 7.877 ( 1.566 -0.530 0.626) 1.768 7.899 ( 1.219 0.201 2.188) 2.513 7.975 ( -0.297 0.589 0.683) 0.949 8.073 ( 2.020 2.713 -1.247) 3.605 8.150 ( 2.281 3.065 -4.856) 6.178 8.503 ( 0.142 0.912 1.760) 1.988 8.585 ( -0.531 1.559 -1.976) 2.572 8.648 ( -1.008 -0.125 1.500) 1.811 8.688 ( -2.039 -0.248 -0.820) 2.212 ======================= Grid point 63 (23/48) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 4.866 -9.931 11.108) 15.674 0.908 ( 12.181 -8.087 2.910) 14.908 1.006 ( 1.917 -6.995 1.252) 7.360 1.074 ( 1.734 -6.288 2.935) 7.153 1.215 ( 2.806 -4.974 1.996) 6.050 1.236 ( 3.060 -6.464 -5.358) 8.936 1.294 ( 1.110 -2.293 -0.956) 2.721 1.367 ( -3.377 -6.160 0.505) 7.043 1.395 ( -1.733 -7.866 -2.814) 8.533 1.401 ( -3.105 -4.949 2.471) 6.343 1.428 ( -1.491 -3.758 4.392) 5.970 1.456 ( -1.283 -3.673 1.178) 4.064 1.516 ( 2.650 -2.022 3.160) 4.593 1.587 ( -5.299 -2.720 -3.868) 7.102 1.598 ( 3.348 -7.286 -1.516) 8.160 1.630 ( 3.802 -5.489 -0.182) 6.679 1.643 ( 3.468 -8.090 1.933) 9.012 1.698 ( -0.508 -3.196 0.162) 3.240 1.733 ( 1.454 -3.597 -1.029) 4.014 1.747 ( 1.168 -1.790 1.274) 2.488 1.769 ( 0.097 -3.364 -3.347) 4.746 1.812 ( -2.639 -4.111 -2.667) 5.565 1.827 ( -1.590 -2.161 0.050) 2.683 1.892 ( -1.427 -1.165 -1.754) 2.544 1.903 ( 1.447 -1.609 2.658) 3.427 1.960 ( -2.246 0.982 -0.234) 2.463 1.992 ( 1.395 -1.374 -1.756) 2.630 1.999 ( -4.375 -0.951 -0.995) 4.586 2.068 ( -0.212 -3.019 -0.854) 3.145 2.079 ( -0.063 -1.837 -1.571) 2.418 2.137 ( -0.732 -3.151 -3.197) 4.548 2.169 ( -2.126 -0.058 -4.260) 4.761 2.195 ( -2.758 -3.001 0.630) 4.124 2.215 ( 1.154 -1.540 2.104) 2.852 2.243 ( -0.654 -1.064 0.215) 1.267 2.254 ( -0.307 1.774 -0.024) 1.800 2.303 ( -2.245 2.738 1.312) 3.776 2.332 ( 1.387 -2.766 1.431) 3.409 2.376 ( -0.164 -3.384 -0.807) 3.483 2.404 ( -1.508 -1.662 -2.793) 3.583 2.413 ( -1.704 -1.397 -2.173) 3.094 2.481 ( 0.881 -0.618 1.555) 1.891 2.508 ( -1.894 -5.154 -0.232) 5.496 2.526 ( -1.941 -2.414 1.569) 3.472 2.535 ( 3.141 -2.724 -2.325) 4.764 2.591 ( -1.356 0.390 0.393) 1.465 2.619 ( -1.753 -4.354 -0.845) 4.769 2.655 ( -1.603 -2.139 0.202) 2.681 2.680 ( -0.967 -2.842 -1.882) 3.544 2.714 ( 0.336 1.786 -0.814) 1.992 2.720 ( -0.151 -0.705 -0.502) 0.879 2.791 ( -0.668 2.083 -0.836) 2.342 2.817 ( -1.966 -3.335 2.044) 4.378 2.840 ( -0.198 -0.200 2.818) 2.832 2.868 ( 0.113 -0.592 -1.156) 1.303 2.899 ( -1.284 -1.516 -0.039) 1.987 2.916 ( -0.377 0.599 3.489) 3.560 2.988 ( 0.612 0.164 0.847) 1.058 3.049 ( 1.349 -3.910 0.959) 4.246 3.070 ( 2.071 -2.186 -0.959) 3.160 3.108 ( 2.113 -2.133 -0.798) 3.106 3.118 ( 1.575 -3.180 -0.590) 3.597 3.208 ( 4.021 -1.905 0.072) 4.450 3.222 ( -1.795 -0.697 -0.136) 1.930 3.246 ( 4.220 -0.884 1.529) 4.575 3.263 ( -0.741 -0.971 0.108) 1.226 3.296 ( 2.833 -0.069 0.585) 2.893 3.363 ( -0.719 2.264 0.067) 2.376 3.862 ( -0.560 -0.013 0.153) 0.580 3.870 ( -0.161 0.166 0.089) 0.248 4.213 ( 0.991 0.290 0.112) 1.038 4.219 ( 0.661 0.588 -0.096) 0.890 7.664 ( 0.185 -0.714 0.267) 0.784 7.672 ( 0.160 -0.566 -0.128) 0.602 7.867 ( -0.536 -0.177 2.400) 2.466 7.905 ( 0.341 -1.423 1.301) 1.958 7.908 ( 0.623 -0.349 1.234) 1.426 7.966 ( 0.518 0.067 -0.729) 0.897 8.023 ( 2.501 3.763 -1.132) 4.658 8.091 ( -0.107 2.942 -2.884) 4.121 8.486 ( 0.303 0.753 1.141) 1.401 8.539 ( -0.660 2.357 -1.217) 2.734 8.659 ( -0.192 -1.159 0.539) 1.293 8.684 ( -1.171 -0.381 -0.638) 1.387 ======================= Grid point 64 (24/48) ======================= q-point: ( 0.57 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.949 -0.976 4.888) 5.352 1.096 ( 7.351 -2.326 2.614) 8.141 1.136 ( 1.051 -7.405 5.368) 9.206 1.203 ( 2.504 -1.488 -2.268) 3.692 1.240 ( 1.671 2.619 3.859) 4.955 1.258 ( 1.882 1.453 -0.486) 2.427 1.369 ( -3.078 -3.896 1.661) 5.236 1.379 ( -3.413 -1.239 0.673) 3.693 1.415 ( -1.268 -1.464 1.608) 2.517 1.437 ( -4.006 -1.126 2.173) 4.694 1.527 ( -0.310 -0.463 -0.898) 1.057 1.572 ( 1.709 -5.566 0.826) 5.880 1.578 ( 1.097 -3.051 -4.906) 5.881 1.654 ( -0.743 -5.624 -4.088) 6.992 1.676 ( -1.916 1.249 -4.442) 4.996 1.701 ( 2.649 -0.855 -3.610) 4.559 1.722 ( -2.658 -1.530 -0.881) 3.191 1.760 ( 3.808 -0.526 0.430) 3.868 1.784 ( 2.376 0.054 -1.601) 2.866 1.806 ( 2.829 -0.678 -4.726) 5.550 1.826 ( -1.938 -1.332 3.497) 4.214 1.865 ( -1.626 -0.758 1.204) 2.161 1.896 ( -2.166 -2.247 0.659) 3.189 1.914 ( -0.246 -0.632 -0.135) 0.691 1.932 ( -1.183 -1.180 0.725) 1.822 1.958 ( 0.344 -3.507 1.504) 3.831 2.011 ( 2.717 -3.668 2.675) 5.291 2.038 ( 0.466 -1.222 -3.431) 3.672 2.105 ( -1.600 2.228 -2.792) 3.914 2.131 ( 0.236 -1.312 -0.167) 1.344 2.141 ( -0.229 -5.874 0.914) 5.949 2.171 ( -1.869 -0.178 0.835) 2.055 2.211 ( 0.187 0.486 -0.007) 0.521 2.215 ( 1.042 -0.384 -2.222) 2.484 2.256 ( 1.531 0.930 0.135) 1.796 2.259 ( -3.050 -3.665 0.924) 4.856 2.336 ( -0.262 -0.297 -2.310) 2.344 2.385 ( 0.450 0.620 -1.669) 1.836 2.410 ( -1.381 -1.096 2.814) 3.321 2.427 ( -2.409 -0.510 -0.177) 2.469 2.447 ( 0.648 2.556 2.451) 3.600 2.467 ( -0.134 -2.658 -0.068) 2.663 2.528 ( -2.047 -2.729 -1.495) 3.724 2.555 ( 0.043 0.693 1.269) 1.447 2.609 ( 1.089 -3.387 0.756) 3.637 2.636 ( 3.111 2.642 0.160) 4.084 2.670 ( 0.078 -2.365 -0.290) 2.384 2.690 ( 0.462 -1.511 -2.091) 2.621 2.708 ( -0.228 -1.847 0.961) 2.094 2.725 ( 0.510 -0.098 -0.009) 0.519 2.743 ( 0.144 -3.839 -2.098) 4.377 2.768 ( 0.380 0.172 -1.689) 1.739 2.812 ( 0.281 0.649 -0.916) 1.157 2.821 ( -0.767 3.212 -2.188) 3.961 2.859 ( -1.049 -1.405 2.666) 3.191 2.908 ( 1.143 -1.384 -0.133) 1.800 2.936 ( -3.330 -2.585 2.518) 4.911 2.981 ( -1.977 0.282 0.184) 2.005 3.093 ( 1.777 0.275 1.382) 2.268 3.114 ( 2.714 0.376 0.261) 2.752 3.146 ( -1.022 -0.779 0.886) 1.561 3.187 ( 1.996 -1.067 -0.665) 2.359 3.219 ( -2.231 -0.326 -0.356) 2.283 3.239 ( -2.183 -1.519 -1.031) 2.852 3.261 ( 0.059 1.329 0.457) 1.407 3.282 ( 0.216 0.958 -0.556) 1.128 3.297 ( 2.777 -0.537 2.308) 3.650 3.338 ( 1.614 1.284 0.398) 2.100 3.859 ( -0.163 0.005 0.364) 0.399 3.866 ( 0.211 0.254 0.331) 0.467 4.208 ( 0.044 0.550 -0.067) 0.556 4.210 ( 0.376 0.412 -0.174) 0.584 7.676 ( 0.047 -0.373 0.127) 0.397 7.679 ( 0.004 -0.035 -0.018) 0.040 7.867 ( -0.926 -0.653 1.528) 1.903 7.914 ( 0.602 0.294 0.764) 1.016 7.923 ( -0.189 -0.555 1.260) 1.389 7.959 ( 1.303 2.923 0.135) 3.203 7.993 ( 0.066 -1.714 -1.242) 2.118 8.039 ( -0.050 2.422 -2.106) 3.210 8.484 ( 0.344 -0.381 0.225) 0.561 8.493 ( -0.539 1.599 -0.149) 1.694 8.682 ( 0.162 -0.935 -0.143) 0.960 8.684 ( -0.397 -0.122 -0.236) 0.478 ======================= Grid point 65 (25/48) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -3.302 8.421 3.999) 9.890 1.002 ( -1.365 10.002 10.310) 14.429 1.103 ( -1.035 7.551 -5.648) 9.486 1.203 ( 2.367 4.155 2.689) 5.487 1.271 ( 2.377 2.262 -0.599) 3.336 1.294 ( 0.682 -0.829 1.390) 1.756 1.340 ( -2.224 -0.544 0.942) 2.476 1.402 ( 0.328 4.240 4.177) 5.961 1.422 ( -0.569 -3.570 3.128) 4.781 1.472 ( -0.798 -2.630 3.891) 4.764 1.536 ( -0.066 -0.444 -3.327) 3.357 1.581 ( -1.062 4.849 -1.818) 5.287 1.615 ( 2.901 -0.183 -3.515) 4.561 1.650 ( -0.504 2.042 -1.304) 2.475 1.660 ( 0.036 3.994 -2.187) 4.554 1.673 ( -0.953 2.375 -1.037) 2.761 1.707 ( 0.924 1.643 -1.471) 2.390 1.729 ( -1.399 2.532 -1.844) 3.431 1.781 ( -0.738 0.645 -5.290) 5.380 1.809 ( 2.634 2.028 -2.889) 4.404 1.833 ( -1.470 2.888 1.279) 3.484 1.883 ( 1.124 2.033 3.578) 4.266 1.909 ( -0.276 3.672 -0.480) 3.714 1.920 ( -1.046 1.492 0.174) 1.831 1.941 ( 0.196 -2.442 0.512) 2.503 1.988 ( 1.226 -0.442 -0.995) 1.640 2.037 ( 3.656 3.440 2.293) 5.519 2.094 ( -0.073 -1.412 -0.485) 1.495 2.106 ( -0.497 -1.740 -4.884) 5.208 2.124 ( 2.519 -1.004 0.605) 2.779 2.150 ( 1.860 5.228 -1.826) 5.842 2.168 ( -1.456 -0.701 1.385) 2.129 2.178 ( -1.365 0.556 0.396) 1.527 2.197 ( -1.533 0.849 -1.863) 2.558 2.240 ( -0.336 -0.296 -0.178) 0.482 2.272 ( -1.631 0.803 -1.313) 2.243 2.304 ( -2.982 -1.157 0.978) 3.345 2.354 ( 0.382 2.932 -2.451) 3.841 2.385 ( -0.588 0.560 2.908) 3.020 2.460 ( -0.034 -1.191 2.788) 3.032 2.463 ( 0.229 -1.268 -1.424) 1.920 2.495 ( -1.071 0.939 1.814) 2.306 2.517 ( 0.795 1.221 -1.621) 2.179 2.567 ( 1.105 1.441 0.765) 1.971 2.582 ( -0.144 0.361 1.868) 1.908 2.642 ( 1.656 3.830 -3.386) 5.374 2.664 ( -1.758 2.169 0.492) 2.835 2.678 ( 0.089 -1.841 -1.854) 2.614 2.718 ( -1.307 1.447 -0.754) 2.091 2.747 ( 1.721 -0.541 -0.770) 1.961 2.761 ( 2.701 0.175 0.143) 2.710 2.777 ( 1.553 -1.387 0.386) 2.117 2.810 ( -0.632 -0.278 -0.218) 0.724 2.859 ( 1.890 -2.530 -1.963) 3.718 2.901 ( -0.695 -0.308 0.809) 1.110 2.920 ( -1.293 0.639 0.772) 1.636 2.966 ( -1.438 -2.927 2.201) 3.934 3.005 ( 2.538 -0.504 1.906) 3.214 3.070 ( 0.667 0.447 0.515) 0.954 3.087 ( 0.959 3.218 0.707) 3.432 3.121 ( -1.993 2.112 -0.238) 2.913 3.140 ( -1.453 4.127 -0.603) 4.416 3.211 ( 0.358 1.939 0.369) 2.005 3.215 ( -0.562 2.628 1.459) 3.058 3.220 ( -2.336 2.708 -0.813) 3.667 3.270 ( -1.566 -0.692 1.282) 2.139 3.302 ( 0.640 1.290 0.859) 1.677 3.346 ( 1.389 -1.427 -1.604) 2.557 3.861 ( -0.056 -0.290 0.324) 0.438 3.865 ( 0.157 -0.092 0.258) 0.315 4.199 ( -0.206 0.208 0.031) 0.294 4.207 ( -0.010 0.040 -0.313) 0.316 7.674 ( -0.036 0.466 0.144) 0.489 7.678 ( -0.030 0.171 -0.034) 0.177 7.884 ( -0.639 -1.226 0.476) 1.463 7.894 ( 0.298 1.323 -0.031) 1.356 7.929 ( 0.142 0.641 0.876) 1.095 7.939 ( 0.033 -1.097 2.343) 2.588 7.983 ( -0.355 3.053 -1.283) 3.330 8.041 ( 0.035 -2.820 -2.070) 3.498 8.472 ( -0.228 0.164 0.902) 0.944 8.507 ( 0.251 -1.743 -0.702) 1.896 8.678 ( -0.033 0.511 0.255) 0.572 8.698 ( 0.280 -0.463 -0.636) 0.835 ======================= Grid point 66 (26/48) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 12.871 5.619) 14.044 0.777 ( 0.000 11.249 14.746) 18.547 0.915 ( 0.000 10.085 -5.977) 11.723 1.091 ( 0.000 6.860 4.581) 8.249 1.168 ( 0.000 12.615 -3.236) 13.023 1.180 ( 0.000 6.543 1.592) 6.734 1.258 ( 0.000 4.483 0.769) 4.548 1.341 ( 0.000 17.467 2.133) 17.596 1.412 ( 0.000 2.959 1.298) 3.231 1.462 ( 0.000 4.600 0.947) 4.697 1.462 ( 0.000 3.712 4.283) 5.668 1.494 ( 0.000 8.289 0.127) 8.290 1.506 ( 0.000 5.138 2.099) 5.550 1.572 ( 0.000 2.836 2.716) 3.927 1.580 ( 0.000 3.331 3.483) 4.819 1.616 ( 0.000 3.783 -3.282) 5.009 1.668 ( 0.000 2.688 -1.509) 3.083 1.691 ( 0.000 0.366 -1.547) 1.590 1.706 ( 0.000 0.755 -0.605) 0.967 1.733 ( 0.000 2.883 -6.840) 7.423 1.795 ( 0.000 1.406 -4.432) 4.650 1.820 ( 0.000 2.220 2.735) 3.523 1.870 ( 0.000 0.426 -3.938) 3.961 1.914 ( 0.000 2.116 2.937) 3.620 1.934 ( 0.000 2.383 3.075) 3.890 1.961 ( 0.000 2.089 -2.791) 3.486 1.993 ( 0.000 2.954 2.261) 3.720 1.996 ( 0.000 6.048 -10.105) 11.777 2.066 ( 0.000 2.511 -2.210) 3.345 2.105 ( 0.000 5.589 -2.801) 6.251 2.157 ( 0.000 1.722 -0.809) 1.903 2.169 ( -0.000 -0.237 -3.963) 3.970 2.230 ( -0.000 -0.803 -0.196) 0.827 2.241 ( -0.000 -6.590 -1.819) 6.836 2.242 ( 0.000 1.040 -0.456) 1.135 2.284 ( -0.000 -2.144 -1.524) 2.630 2.293 ( 0.000 0.895 2.988) 3.120 2.327 ( -0.000 -3.135 1.873) 3.652 2.353 ( 0.000 0.052 2.871) 2.872 2.433 ( 0.000 0.940 1.352) 1.647 2.445 ( 0.000 4.696 -0.253) 4.703 2.479 ( 0.000 1.133 3.755) 3.922 2.484 ( -0.000 -0.081 -4.245) 4.246 2.549 ( 0.000 2.648 2.389) 3.566 2.593 ( -0.000 -0.496 -0.949) 1.071 2.618 ( -0.000 -1.262 -2.711) 2.990 2.638 ( 0.000 3.557 0.633) 3.613 2.644 ( -0.000 -0.234 1.570) 1.588 2.713 ( -0.000 -0.844 -4.779) 4.853 2.721 ( 0.000 5.285 0.378) 5.299 2.759 ( 0.000 3.666 -0.075) 3.666 2.763 ( 0.000 0.901 -2.290) 2.461 2.824 ( -0.000 -1.411 1.710) 2.217 2.865 ( 0.000 0.923 1.638) 1.880 2.896 ( 0.000 2.309 0.888) 2.474 2.899 ( 0.000 2.035 -0.249) 2.050 2.929 ( 0.000 1.857 1.247) 2.237 3.001 ( 0.000 4.115 -0.142) 4.118 3.024 ( 0.000 5.016 0.446) 5.036 3.042 ( -0.000 -0.915 2.225) 2.406 3.061 ( 0.000 3.956 -0.906) 4.058 3.114 ( -0.000 -0.194 -1.742) 1.753 3.145 ( 0.000 1.790 0.085) 1.792 3.155 ( 0.000 2.596 6.498) 6.997 3.167 ( 0.000 1.852 -0.713) 1.985 3.256 ( 0.000 2.103 1.762) 2.743 3.269 ( 0.000 1.328 0.667) 1.486 3.410 ( -0.000 -3.926 -4.527) 5.992 3.866 ( -0.000 -0.151 0.211) 0.260 3.870 ( -0.000 -0.252 0.053) 0.258 4.194 ( 0.000 0.242 0.263) 0.357 4.208 ( -0.000 -0.045 -0.286) 0.289 7.661 ( 0.000 0.770 0.243) 0.807 7.669 ( 0.000 0.646 -0.127) 0.659 7.870 ( 0.000 0.687 1.399) 1.559 7.893 ( 0.000 0.762 0.568) 0.950 7.912 ( 0.000 3.484 -0.514) 3.522 7.944 ( -0.000 -2.259 -1.534) 2.731 7.968 ( -0.000 -1.549 3.374) 3.713 8.100 ( -0.000 -2.796 -2.938) 4.055 8.481 ( -0.000 -0.953 1.738) 1.982 8.551 ( -0.000 -2.291 -1.464) 2.719 8.665 ( 0.000 0.630 0.982) 1.167 8.707 ( -0.000 -0.377 -1.024) 1.091 ======================= Grid point 69 (27/48) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 12.322 0.000 9.315) 15.447 0.656 ( 7.421 0.000 21.756) 22.987 0.782 ( 4.884 0.000 0.529) 4.912 0.909 ( 10.967 0.000 4.732) 11.944 0.936 ( -4.072 -0.000 5.922) 7.187 1.001 ( 18.085 0.000 -3.297) 18.383 1.029 ( 15.905 0.000 11.509) 19.633 1.192 ( -0.287 -0.000 -1.532) 1.558 1.224 ( -3.579 -0.000 -1.081) 3.739 1.239 ( 2.894 0.000 -3.844) 4.812 1.350 ( -0.637 -0.000 6.819) 6.849 1.354 ( 8.143 0.000 -0.806) 8.183 1.414 ( -3.921 -0.000 3.516) 5.267 1.428 ( 0.233 0.000 1.133) 1.156 1.453 ( -1.743 -0.000 0.788) 1.912 1.494 ( -4.551 -0.000 -4.886) 6.677 1.585 ( -4.862 -0.000 -1.562) 5.106 1.598 ( -1.305 -0.000 -1.819) 2.239 1.650 ( -4.487 -0.000 -7.676) 8.891 1.666 ( 2.553 0.000 -1.368) 2.896 1.728 ( -2.540 -0.000 -10.719) 11.016 1.736 ( 0.855 0.000 1.830) 2.020 1.831 ( 1.306 0.000 -7.420) 7.534 1.852 ( 0.763 0.000 3.468) 3.551 1.881 ( 2.058 0.000 -6.193) 6.526 1.890 ( -1.384 -0.000 1.672) 2.170 1.923 ( -1.539 -0.000 3.583) 3.900 1.924 ( -1.016 -0.000 -1.501) 1.812 1.977 ( -2.802 -0.000 -3.274) 4.309 1.991 ( 1.479 0.000 -2.062) 2.537 2.095 ( 0.853 0.000 3.472) 3.575 2.125 ( -2.516 -0.000 -0.030) 2.516 2.189 ( -1.322 -0.000 2.773) 3.072 2.196 ( -4.927 -0.000 -1.192) 5.069 2.207 ( -12.114 -0.000 3.064) 12.495 2.230 ( -0.444 -0.000 6.782) 6.797 2.284 ( -2.079 -0.000 0.034) 2.079 2.312 ( -3.099 -0.000 0.650) 3.166 2.351 ( -0.516 -0.000 -4.178) 4.210 2.377 ( -2.900 -0.000 1.962) 3.501 2.383 ( -3.087 -0.000 -0.646) 3.154 2.422 ( -1.807 -0.000 0.387) 1.848 2.485 ( 2.308 0.000 -0.409) 2.344 2.501 ( -1.277 -0.000 -1.217) 1.764 2.539 ( -1.545 -0.000 -3.942) 4.234 2.559 ( -2.405 -0.000 3.139) 3.954 2.586 ( 1.718 0.000 1.342) 2.180 2.598 ( 0.508 0.000 5.638) 5.661 2.599 ( -1.074 -0.000 -4.353) 4.483 2.642 ( -1.873 -0.000 0.642) 1.980 2.658 ( 0.442 0.000 -4.299) 4.321 2.729 ( 0.889 0.000 1.239) 1.525 2.785 ( -0.594 -0.000 -2.027) 2.113 2.810 ( -0.719 -0.000 -1.457) 1.625 2.872 ( 1.281 0.000 1.226) 1.773 2.890 ( -4.715 -0.000 1.536) 4.958 2.904 ( 4.100 0.000 2.475) 4.789 2.955 ( -0.146 -0.000 0.913) 0.925 2.975 ( 4.829 0.000 1.231) 4.984 3.000 ( 1.987 0.000 -1.043) 2.244 3.020 ( 0.669 0.000 0.064) 0.672 3.030 ( 2.725 0.000 -0.987) 2.899 3.134 ( 3.701 0.000 -1.541) 4.008 3.180 ( 5.279 0.000 -1.729) 5.555 3.236 ( -1.116 -0.000 0.811) 1.379 3.245 ( 5.016 0.000 0.968) 5.108 3.277 ( 3.536 0.000 3.599) 5.045 3.422 ( -1.280 -0.000 -1.110) 1.694 3.857 ( -1.241 -0.000 -0.184) 1.254 3.872 ( -2.153 -0.000 -1.676) 2.729 4.217 ( 1.813 0.000 0.388) 1.854 4.232 ( 1.446 0.000 -0.201) 1.460 7.643 ( 0.411 0.000 0.302) 0.510 7.653 ( 0.410 0.000 -0.136) 0.432 7.834 ( 0.622 0.000 2.397) 2.477 7.885 ( 1.981 0.000 0.344) 2.011 7.912 ( 1.195 0.000 3.200) 3.416 7.976 ( -0.921 -0.000 0.571) 1.084 8.093 ( -1.051 -0.000 -0.935) 1.407 8.226 ( 4.056 0.000 -8.152) 9.105 8.514 ( 0.184 0.000 1.667) 1.677 8.596 ( -0.613 -0.000 -1.924) 2.020 8.642 ( -1.211 -0.000 1.059) 1.608 8.668 ( -2.089 -0.000 -0.412) 2.129 ======================= Grid point 70 (28/48) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 7.635 -8.253 10.677) 15.505 0.818 ( 9.766 -9.507 10.191) 17.018 0.871 ( -0.874 -5.812 6.636) 8.865 0.981 ( 3.890 -5.473 0.385) 6.726 1.042 ( -0.784 -9.509 5.256) 10.893 1.165 ( 12.133 -4.706 -2.990) 13.353 1.200 ( 2.261 -5.751 2.570) 6.693 1.211 ( -5.613 -4.102 -3.979) 8.010 1.281 ( 2.972 -3.817 3.940) 6.239 1.303 ( 8.907 -3.635 -2.387) 9.912 1.354 ( -2.661 -2.318 3.176) 4.747 1.424 ( 0.041 -1.626 1.320) 2.095 1.465 ( 3.095 -3.483 -0.868) 4.740 1.473 ( -5.152 -3.927 -4.211) 7.727 1.488 ( 0.732 -4.736 1.267) 4.957 1.531 ( 4.836 -6.245 0.409) 7.909 1.583 ( 1.622 -2.150 1.365) 3.020 1.611 ( -2.317 -3.483 0.142) 4.186 1.659 ( -3.255 -2.857 -1.881) 4.721 1.685 ( -0.108 -2.065 -2.650) 3.361 1.726 ( 0.667 -1.693 -5.598) 5.887 1.764 ( 0.577 -1.872 -3.815) 4.288 1.800 ( -0.402 1.990 2.742) 3.412 1.859 ( -0.974 -0.782 0.232) 1.270 1.892 ( -2.517 -0.252 1.293) 2.841 1.920 ( -1.276 -3.853 -3.978) 5.683 1.932 ( -0.740 -1.409 0.378) 1.636 1.941 ( -2.401 -2.579 -0.197) 3.529 2.022 ( 0.046 -2.523 -3.448) 4.272 2.055 ( -3.590 0.575 0.941) 3.755 2.058 ( 1.406 -5.215 -5.881) 7.985 2.130 ( -0.588 -0.136 3.335) 3.389 2.157 ( -4.760 -3.223 3.887) 6.939 2.160 ( -1.595 0.620 -0.254) 1.730 2.225 ( -0.509 -2.639 -0.122) 2.691 2.254 ( -1.266 -0.195 -0.857) 1.541 2.295 ( -3.622 -1.486 1.670) 4.256 2.314 ( -1.432 -1.523 0.554) 2.163 2.346 ( -1.503 -2.230 -2.565) 3.716 2.352 ( -1.925 -1.282 0.251) 2.326 2.373 ( -1.524 0.002 -1.624) 2.227 2.407 ( -3.441 -1.337 -2.380) 4.392 2.467 ( -0.714 2.981 -1.834) 3.573 2.489 ( 0.698 1.126 -0.495) 1.415 2.522 ( -0.063 -0.076 1.015) 1.020 2.546 ( 2.289 -2.730 -0.492) 3.596 2.596 ( -2.398 -2.396 -1.739) 3.810 2.604 ( 0.305 -0.642 4.134) 4.194 2.621 ( -0.132 -1.128 0.530) 1.253 2.671 ( -1.267 -2.564 0.019) 2.860 2.740 ( 0.963 -3.407 -0.929) 3.660 2.759 ( -0.591 1.346 -1.574) 2.154 2.787 ( 0.917 -5.166 1.340) 5.415 2.814 ( -2.311 1.510 1.214) 3.015 2.838 ( -0.257 -1.020 0.815) 1.331 2.894 ( 0.414 0.106 -1.565) 1.622 2.948 ( 3.152 0.085 2.104) 3.790 2.987 ( 1.211 -2.206 1.636) 3.001 3.002 ( 1.198 -0.437 0.793) 1.502 3.026 ( 0.030 -2.450 -0.420) 2.486 3.051 ( 1.030 -2.728 -0.425) 2.946 3.081 ( 2.874 -2.172 -1.455) 3.885 3.167 ( -0.854 -1.897 -0.904) 2.268 3.208 ( -2.401 -0.773 -0.886) 2.674 3.253 ( 4.830 -0.613 0.642) 4.911 3.282 ( 6.011 0.292 0.920) 6.088 3.304 ( 2.530 -0.695 2.145) 3.389 3.396 ( -1.658 1.550 -0.470) 2.318 3.851 ( -1.136 -0.312 -0.142) 1.187 3.862 ( -1.335 -0.451 -0.393) 1.463 4.226 ( 1.232 0.237 0.311) 1.293 4.236 ( 1.020 0.473 -0.102) 1.129 7.652 ( 0.336 -0.537 0.303) 0.702 7.662 ( 0.334 -0.539 -0.147) 0.651 7.850 ( 0.201 -0.974 2.953) 3.116 7.899 ( 1.501 -0.091 1.318) 2.000 7.913 ( 0.675 0.325 2.378) 2.493 7.968 ( -0.750 0.113 -0.006) 0.758 8.077 ( -0.566 0.975 -1.470) 1.853 8.189 ( 2.583 5.056 -5.743) 8.076 8.506 ( 0.169 0.871 1.411) 1.667 8.578 ( -0.365 1.619 -2.002) 2.600 8.637 ( -0.452 -0.574 0.908) 1.165 8.663 ( -1.433 -0.631 -0.509) 1.646 ======================= Grid point 71 (29/48) ======================= q-point: ( 0.57 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 3.768 -7.797 8.404) 12.067 0.982 ( -2.992 -7.326 6.789) 10.427 1.058 ( 8.672 -6.986 3.534) 11.683 1.147 ( 6.885 -5.958 -1.218) 9.185 1.230 ( -2.686 -6.224 1.790) 7.011 1.255 ( -3.369 -3.641 -1.154) 5.093 1.269 ( -0.982 -2.798 1.690) 3.413 1.321 ( -4.831 -4.873 2.400) 7.269 1.334 ( 1.024 -2.296 -4.200) 4.895 1.403 ( 0.479 -1.304 -1.825) 2.294 1.429 ( 1.476 -5.616 -2.587) 6.357 1.478 ( 2.900 -4.398 3.084) 6.104 1.500 ( -5.753 -5.627 -4.321) 9.134 1.554 ( 1.636 -1.473 3.097) 3.799 1.639 ( 0.019 -5.544 0.431) 5.561 1.652 ( 1.604 -3.064 -4.339) 5.549 1.673 ( 2.269 -5.382 -1.081) 5.939 1.710 ( -1.956 -5.151 1.032) 5.606 1.745 ( -1.043 -4.722 -1.291) 5.005 1.765 ( 2.148 -1.510 2.533) 3.648 1.783 ( 2.373 -3.693 -1.694) 4.705 1.814 ( 5.460 -5.494 0.683) 7.776 1.830 ( -0.292 -2.974 -3.286) 4.442 1.875 ( -2.447 -1.051 0.100) 2.665 1.909 ( -1.428 0.027 1.027) 1.759 1.929 ( 1.318 -3.987 1.779) 4.560 1.949 ( -1.925 -0.812 0.568) 2.165 2.015 ( 1.557 -3.033 -2.252) 4.086 2.026 ( -5.930 -2.807 2.639) 7.072 2.061 ( -1.268 -2.375 0.482) 2.735 2.114 ( -2.280 -1.572 -1.749) 3.275 2.162 ( -0.823 -1.262 0.450) 1.572 2.170 ( 0.546 0.770 -4.203) 4.308 2.232 ( 1.019 -0.539 0.600) 1.300 2.242 ( 0.152 -6.158 1.625) 6.371 2.250 ( -0.138 1.129 -1.702) 2.047 2.267 ( -1.990 0.497 2.255) 3.048 2.340 ( -0.077 -0.853 -0.734) 1.128 2.372 ( 0.019 -2.140 -2.938) 3.635 2.384 ( -1.162 -1.399 -1.984) 2.691 2.411 ( 1.011 -3.569 -3.205) 4.902 2.465 ( -2.114 -3.546 -4.085) 5.808 2.497 ( -0.784 -7.690 1.164) 7.817 2.510 ( 0.322 -1.592 2.112) 2.664 2.578 ( 2.600 -3.939 0.298) 4.729 2.583 ( 0.013 2.168 2.450) 3.272 2.613 ( -0.496 -3.763 -0.523) 3.832 2.631 ( -0.816 -2.555 -1.782) 3.220 2.664 ( -1.000 -2.648 -0.946) 2.985 2.710 ( -0.185 1.789 -2.822) 3.346 2.728 ( 0.646 -2.793 1.956) 3.471 2.770 ( -2.033 -0.387 1.903) 2.812 2.804 ( 0.152 -1.454 -0.220) 1.478 2.846 ( 0.887 1.295 1.283) 2.027 2.861 ( -0.878 1.237 -0.154) 1.524 2.908 ( 0.079 1.873 1.771) 2.579 2.917 ( 1.618 -1.913 -0.265) 2.519 2.983 ( -1.013 2.110 -0.109) 2.343 3.064 ( 0.812 -3.763 2.272) 4.470 3.092 ( 0.860 -2.939 -0.038) 3.063 3.128 ( 0.343 -3.594 -0.183) 3.615 3.142 ( 2.772 -2.021 -1.390) 3.701 3.189 ( -2.901 -1.458 -1.117) 3.434 3.196 ( -2.458 -0.388 -0.878) 2.639 3.288 ( 2.724 0.355 1.593) 3.176 3.304 ( 2.433 0.153 1.666) 2.953 3.325 ( 1.291 1.186 0.006) 1.753 3.360 ( -0.194 0.462 0.574) 0.762 3.855 ( -0.353 -0.366 0.226) 0.556 3.867 ( -0.221 -0.323 0.192) 0.435 4.223 ( 0.416 0.662 0.032) 0.783 4.226 ( 0.359 0.862 0.006) 0.933 7.666 ( 0.106 -0.618 0.243) 0.673 7.674 ( 0.086 -0.454 -0.134) 0.481 7.860 ( -0.288 0.016 2.976) 2.990 7.910 ( 0.296 -0.545 1.931) 2.028 7.914 ( 0.230 -0.052 1.449) 1.468 7.969 ( -0.009 -0.621 -0.809) 1.020 8.043 ( 0.497 2.790 -2.052) 3.499 8.096 ( 0.550 4.349 -3.232) 5.447 8.489 ( 0.136 0.691 0.848) 1.102 8.532 ( -0.313 2.424 -1.023) 2.650 8.658 ( -0.012 -1.374 0.233) 1.393 8.672 ( -0.495 -0.747 -0.412) 0.986 ======================= Grid point 72 (30/48) ======================= q-point: ( 0.71 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 1.042 4.896) 5.006 1.125 ( -0.000 -2.424 5.238) 5.772 1.184 ( -0.000 -3.690 6.507) 7.481 1.208 ( 0.000 2.723 -4.564) 5.315 1.280 ( 0.000 1.262 -0.286) 1.294 1.291 ( -0.000 -2.134 1.778) 2.778 1.319 ( -0.000 -5.528 2.849) 6.219 1.328 ( 0.000 0.731 -1.012) 1.249 1.393 ( -0.000 -3.587 5.541) 6.601 1.421 ( -0.000 -2.310 -1.316) 2.659 1.524 ( -0.000 -0.295 -0.949) 0.994 1.587 ( -0.000 -6.078 -1.631) 6.293 1.588 ( -0.000 -2.311 -4.321) 4.900 1.662 ( 0.000 3.005 -4.529) 5.435 1.668 ( -0.000 -7.823 -1.659) 7.997 1.682 ( -0.000 -0.156 -1.109) 1.120 1.726 ( -0.000 -0.227 -4.487) 4.493 1.784 ( -0.000 -0.069 -2.479) 2.480 1.799 ( 0.000 2.169 -1.002) 2.389 1.806 ( -0.000 -2.882 4.500) 5.344 1.848 ( -0.000 -0.988 0.787) 1.263 1.856 ( -0.000 -0.001 -3.805) 3.805 1.880 ( -0.000 -2.987 0.831) 3.100 1.898 ( -0.000 -5.247 0.443) 5.266 1.918 ( -0.000 -0.494 1.049) 1.160 1.965 ( -0.000 -2.422 2.071) 3.187 2.035 ( -0.000 -2.249 3.494) 4.155 2.057 ( -0.000 -1.076 -5.221) 5.330 2.092 ( 0.000 2.873 -2.359) 3.718 2.124 ( -0.000 -1.251 0.586) 1.382 2.132 ( -0.000 -1.358 -0.740) 1.546 2.156 ( -0.000 -8.471 0.821) 8.510 2.203 ( -0.000 -2.426 -0.063) 2.426 2.216 ( 0.000 0.289 -0.713) 0.769 2.256 ( -0.000 -0.897 2.143) 2.323 2.269 ( 0.000 1.054 0.838) 1.347 2.330 ( 0.000 1.754 -2.744) 3.256 2.368 ( -0.000 -2.095 -4.348) 4.827 2.398 ( -0.000 -2.377 0.540) 2.438 2.421 ( 0.000 3.697 4.068) 5.497 2.451 ( 0.000 3.217 2.808) 4.270 2.471 ( -0.000 -4.551 0.457) 4.574 2.508 ( -0.000 -1.083 -2.062) 2.329 2.558 ( -0.000 -0.048 -0.041) 0.063 2.614 ( -0.000 -4.081 1.728) 4.432 2.660 ( 0.000 2.186 3.470) 4.102 2.680 ( -0.000 -3.104 -0.059) 3.105 2.687 ( -0.000 -1.263 -2.522) 2.821 2.701 ( -0.000 -0.298 -0.837) 0.889 2.730 ( 0.000 1.548 -0.477) 1.619 2.746 ( -0.000 -7.476 -2.450) 7.867 2.790 ( -0.000 -1.498 -1.202) 1.921 2.802 ( 0.000 2.729 -5.089) 5.774 2.808 ( 0.000 0.454 0.496) 0.673 2.877 ( -0.000 -1.168 3.346) 3.544 2.892 ( -0.000 -2.324 1.812) 2.947 2.929 ( -0.000 -1.618 1.002) 1.903 2.954 ( 0.000 0.743 -1.269) 1.471 3.118 ( 0.000 1.275 1.635) 2.073 3.121 ( -0.000 -1.319 1.025) 1.670 3.149 ( 0.000 1.562 0.367) 1.605 3.181 ( 0.000 0.546 -2.063) 2.134 3.210 ( -0.000 -1.987 -0.187) 1.995 3.219 ( -0.000 -2.703 -0.073) 2.704 3.267 ( 0.000 2.084 0.555) 2.157 3.280 ( 0.000 2.960 -0.110) 2.962 3.318 ( -0.000 -0.164 2.061) 2.067 3.351 ( 0.000 0.907 0.246) 0.939 3.858 ( -0.000 -0.081 0.374) 0.383 3.868 ( 0.000 0.153 0.325) 0.359 4.208 ( 0.000 0.737 0.002) 0.737 4.213 ( 0.000 0.548 -0.228) 0.594 7.676 ( -0.000 -0.329 0.105) 0.346 7.679 ( -0.000 -0.001 -0.024) 0.024 7.860 ( -0.000 -0.457 1.871) 1.926 7.919 ( 0.000 0.028 0.410) 0.411 7.920 ( -0.000 -0.576 1.849) 1.937 7.969 ( 0.000 3.695 -0.274) 3.705 7.993 ( -0.000 -1.812 -1.363) 2.268 8.038 ( 0.000 2.405 -2.121) 3.206 8.486 ( -0.000 -0.316 0.077) 0.325 8.489 ( 0.000 1.457 0.016) 1.458 8.681 ( -0.000 -0.277 -0.157) 0.318 8.684 ( -0.000 -1.013 -0.256) 1.045 ======================= Grid point 78 (31/48) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 11.755 0.000 7.393) 13.887 0.742 ( 5.013 0.000 18.108) 18.789 0.812 ( -0.915 -0.000 12.039) 12.074 0.839 ( -9.346 -0.000 5.949) 11.079 1.001 ( 7.220 0.000 0.220) 7.223 1.112 ( -8.245 -0.000 -3.282) 8.874 1.185 ( 3.406 0.000 3.038) 4.564 1.219 ( 13.590 0.000 -2.396) 13.800 1.293 ( -3.457 -0.000 3.224) 4.727 1.295 ( 3.786 0.000 -5.902) 7.012 1.337 ( 10.893 0.000 3.658) 11.491 1.381 ( -8.364 -0.000 -3.925) 9.239 1.409 ( -0.747 -0.000 4.347) 4.410 1.414 ( -1.697 -0.000 -1.470) 2.245 1.482 ( 8.681 0.000 0.530) 8.697 1.483 ( 5.311 0.000 0.055) 5.311 1.542 ( -1.097 -0.000 -0.540) 1.223 1.578 ( -1.529 -0.000 -1.696) 2.283 1.606 ( -1.882 -0.000 -6.017) 6.304 1.659 ( -4.639 -0.000 -0.624) 4.681 1.690 ( -2.522 -0.000 -10.709) 11.002 1.769 ( 3.277 0.000 1.288) 3.521 1.841 ( 0.060 0.000 -1.631) 1.633 1.864 ( 0.340 0.000 5.435) 5.446 1.874 ( -2.006 -0.000 -5.227) 5.599 1.875 ( 0.510 0.000 1.185) 1.290 1.887 ( -2.859 -0.000 3.425) 4.462 1.907 ( -0.307 -0.000 1.378) 1.412 1.976 ( -12.751 -0.000 3.209) 13.149 1.988 ( 2.455 0.000 -11.098) 11.366 2.010 ( 1.182 0.000 -1.515) 1.922 2.111 ( 1.165 0.000 3.288) 3.489 2.140 ( 0.128 0.000 -0.749) 0.759 2.163 ( -1.385 -0.000 -1.300) 1.899 2.180 ( 0.207 0.000 0.459) 0.504 2.229 ( -0.752 -0.000 3.964) 4.034 2.261 ( -5.699 -0.000 -1.473) 5.886 2.273 ( -0.138 -0.000 1.706) 1.711 2.282 ( -2.167 -0.000 -1.485) 2.627 2.338 ( -1.932 -0.000 2.586) 3.229 2.386 ( 1.048 0.000 -0.665) 1.241 2.411 ( -0.642 -0.000 -2.377) 2.462 2.505 ( 1.359 0.000 -0.547) 1.465 2.514 ( 1.134 0.000 -0.148) 1.143 2.523 ( -0.713 -0.000 -3.336) 3.411 2.532 ( -1.738 -0.000 1.872) 2.554 2.595 ( 0.410 0.000 -8.053) 8.063 2.604 ( 0.276 0.000 7.611) 7.616 2.613 ( 2.282 0.000 3.055) 3.813 2.620 ( -1.037 -0.000 4.732) 4.844 2.647 ( -1.982 -0.000 -2.675) 3.329 2.741 ( 0.673 0.000 1.239) 1.410 2.776 ( -0.567 -0.000 -2.442) 2.507 2.799 ( -0.481 -0.000 -1.081) 1.183 2.840 ( -2.265 -0.000 0.674) 2.364 2.900 ( 1.641 0.000 -1.515) 2.234 2.941 ( 1.277 0.000 2.651) 2.943 2.958 ( 0.637 0.000 2.252) 2.340 3.014 ( 0.199 0.000 -0.418) 0.463 3.019 ( 1.724 0.000 -0.299) 1.750 3.030 ( 0.541 0.000 -0.512) 0.745 3.078 ( 3.154 0.000 -2.992) 4.348 3.140 ( -0.745 -0.000 -0.784) 1.082 3.183 ( -2.341 -0.000 0.073) 2.342 3.273 ( 3.789 0.000 0.871) 3.888 3.304 ( 0.390 0.000 3.086) 3.111 3.335 ( 6.280 0.000 -0.445) 6.296 3.397 ( -2.816 -0.000 -0.748) 2.913 3.841 ( -0.769 -0.000 -0.202) 0.795 3.843 ( -1.491 -0.000 -0.543) 1.586 4.236 ( 0.756 0.000 0.352) 0.834 4.248 ( 0.687 0.000 -0.149) 0.703 7.649 ( 0.276 0.000 0.305) 0.411 7.658 ( 0.290 0.000 -0.146) 0.324 7.843 ( 0.451 0.000 3.565) 3.594 7.909 ( 1.327 0.000 1.262) 1.831 7.920 ( -0.033 -0.000 2.889) 2.889 7.962 ( -0.768 -0.000 -0.179) 0.789 8.080 ( -0.574 -0.000 -0.955) 1.114 8.261 ( 1.226 0.000 -7.472) 7.572 8.516 ( 0.085 0.000 1.427) 1.430 8.591 ( -0.156 -0.000 -1.979) 1.985 8.633 ( -0.282 -0.000 0.414) 0.500 8.647 ( -0.836 -0.000 -0.296) 0.887 ======================= Grid point 79 (32/48) ======================= q-point: ( 0.57 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.000 -5.698 10.751) 12.167 0.817 ( -0.000 -6.092 9.469) 11.260 0.921 ( -0.000 -9.348 8.242) 12.463 0.969 ( -0.000 -13.511 5.265) 14.501 1.100 ( -0.000 -3.689 0.278) 3.699 1.109 ( -0.000 -5.660 -2.364) 6.134 1.218 ( -0.000 -2.130 3.419) 4.028 1.255 ( -0.000 -0.375 -0.468) 0.599 1.311 ( -0.000 -1.259 -3.156) 3.397 1.353 ( -0.000 -2.982 -2.053) 3.621 1.366 ( -0.000 -3.803 -3.738) 5.332 1.401 ( -0.000 -0.774 -2.395) 2.517 1.420 ( -0.000 -3.058 0.078) 3.059 1.479 ( -0.000 -6.113 3.329) 6.961 1.550 ( -0.000 -1.944 -0.874) 2.132 1.570 ( -0.000 -4.573 0.320) 4.584 1.603 ( -0.000 -3.196 1.176) 3.406 1.611 ( -0.000 -7.329 0.400) 7.340 1.620 ( -0.000 -1.966 -3.296) 3.838 1.692 ( -0.000 -5.159 0.734) 5.211 1.721 ( -0.000 -3.861 -9.353) 10.119 1.776 ( 0.000 0.119 -0.377) 0.395 1.813 ( 0.000 2.278 3.911) 4.526 1.846 ( -0.000 -0.729 0.638) 0.968 1.867 ( -0.000 -1.358 1.317) 1.892 1.891 ( -0.000 -1.304 0.781) 1.520 1.923 ( -0.000 -2.447 -1.223) 2.736 1.934 ( -0.000 -3.180 -1.951) 3.731 1.942 ( -0.000 -1.775 3.491) 3.916 2.063 ( -0.000 -3.873 -4.518) 5.951 2.083 ( 0.000 2.524 3.997) 4.728 2.123 ( -0.000 -7.163 -6.261) 9.514 2.130 ( -0.000 -2.389 1.099) 2.630 2.150 ( 0.000 0.789 -0.527) 0.949 2.223 ( -0.000 -0.766 2.929) 3.027 2.227 ( -0.000 -0.495 -1.310) 1.400 2.287 ( -0.000 -0.643 -0.509) 0.820 2.291 ( -0.000 -4.744 -2.126) 5.199 2.334 ( -0.000 -6.161 2.440) 6.627 2.346 ( -0.000 -1.959 -1.804) 2.663 2.369 ( 0.000 0.912 -1.912) 2.118 2.371 ( 0.000 1.805 -2.750) 3.289 2.465 ( 0.000 5.447 -2.504) 5.995 2.494 ( 0.000 0.110 0.627) 0.637 2.525 ( -0.000 -1.834 2.056) 2.755 2.557 ( -0.000 -2.068 -2.654) 3.364 2.592 ( -0.000 -4.043 -1.024) 4.170 2.607 ( -0.000 -0.298 4.218) 4.228 2.616 ( 0.000 1.392 -2.583) 2.935 2.657 ( -0.000 -3.054 3.932) 4.979 2.753 ( 0.000 1.822 -2.319) 2.949 2.753 ( -0.000 -3.910 -0.448) 3.936 2.791 ( 0.000 2.755 1.691) 3.233 2.794 ( -0.000 -6.138 1.489) 6.316 2.838 ( -0.000 -3.136 0.635) 3.199 2.899 ( 0.000 1.306 -2.642) 2.947 2.986 ( 0.000 2.899 0.961) 3.054 2.994 ( -0.000 -3.057 3.121) 4.369 2.995 ( -0.000 -2.829 1.839) 3.375 3.024 ( -0.000 -1.087 -0.535) 1.212 3.060 ( -0.000 -2.533 -0.550) 2.592 3.115 ( -0.000 -2.214 -3.626) 4.249 3.154 ( -0.000 -1.136 -0.606) 1.287 3.177 ( -0.000 -0.323 0.654) 0.730 3.302 ( -0.000 -0.990 0.035) 0.991 3.305 ( -0.000 -0.023 2.964) 2.965 3.359 ( 0.000 0.651 -0.224) 0.688 3.363 ( 0.000 1.140 -0.241) 1.165 3.842 ( -0.000 -0.552 -0.087) 0.558 3.852 ( -0.000 -0.882 -0.083) 0.886 4.235 ( 0.000 0.349 0.281) 0.448 4.244 ( 0.000 0.603 -0.067) 0.607 7.655 ( -0.000 -0.474 0.298) 0.560 7.664 ( -0.000 -0.463 -0.154) 0.488 7.852 ( -0.000 -0.629 3.570) 3.625 7.913 ( 0.000 0.452 2.757) 2.793 7.915 ( -0.000 -0.025 1.387) 1.387 7.961 ( -0.000 -0.146 -0.466) 0.489 8.071 ( 0.000 0.688 -1.550) 1.696 8.207 ( 0.000 5.146 -5.906) 7.833 8.507 ( 0.000 0.851 1.265) 1.525 8.576 ( 0.000 1.697 -2.012) 2.632 8.635 ( -0.000 -0.703 0.650) 0.957 8.653 ( -0.000 -0.759 -0.370) 0.844 ======================= Grid point 106 (33/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 0.000 -11.007) 11.007 0.477 ( 0.000 0.000 11.007) 11.007 0.546 ( 0.000 0.000 -11.542) 11.542 0.546 ( 0.000 0.000 11.542) 11.542 0.992 ( 0.000 0.000 -1.426) 1.426 0.992 ( 0.000 0.000 1.426) 1.426 1.186 ( 0.000 0.000 -7.155) 7.155 1.186 ( 0.000 0.000 7.155) 7.155 1.225 ( 0.000 0.000 -21.786) 21.786 1.225 ( 0.000 0.000 21.786) 21.786 1.295 ( 0.000 0.000 -3.045) 3.045 1.295 ( 0.000 0.000 3.045) 3.045 1.470 ( 0.000 0.000 -2.833) 2.833 1.470 ( 0.000 0.000 2.833) 2.833 1.512 ( 0.000 0.000 -3.601) 3.601 1.512 ( 0.000 0.000 3.601) 3.601 1.540 ( 0.000 0.000 -2.259) 2.259 1.540 ( 0.000 0.000 2.259) 2.259 1.652 ( 0.000 0.000 -4.837) 4.837 1.652 ( 0.000 0.000 4.837) 4.837 1.688 ( 0.000 0.000 -6.048) 6.048 1.688 ( 0.000 0.000 6.048) 6.048 1.839 ( 0.000 0.000 -4.006) 4.006 1.839 ( 0.000 0.000 4.006) 4.006 1.853 ( 0.000 0.000 -0.199) 0.199 1.853 ( 0.000 0.000 0.199) 0.199 1.942 ( 0.000 0.000 -1.944) 1.944 1.942 ( 0.000 0.000 1.944) 1.944 1.960 ( 0.000 0.000 -4.085) 4.085 1.960 ( 0.000 0.000 4.085) 4.085 2.237 ( 0.000 0.000 -1.666) 1.666 2.237 ( 0.000 0.000 1.666) 1.666 2.245 ( 0.000 0.000 -2.920) 2.920 2.245 ( 0.000 0.000 2.920) 2.920 2.297 ( 0.000 0.000 -3.585) 3.585 2.297 ( 0.000 0.000 3.585) 3.585 2.348 ( 0.000 0.000 -3.537) 3.537 2.348 ( 0.000 0.000 3.537) 3.537 2.415 ( 0.000 0.000 -6.676) 6.676 2.415 ( 0.000 0.000 6.676) 6.676 2.463 ( 0.000 0.000 -2.331) 2.331 2.463 ( 0.000 0.000 2.331) 2.331 2.492 ( 0.000 0.000 -0.740) 0.740 2.492 ( 0.000 0.000 0.740) 0.740 2.525 ( 0.000 0.000 -4.230) 4.230 2.525 ( 0.000 0.000 4.230) 4.230 2.582 ( 0.000 0.000 -3.521) 3.521 2.582 ( 0.000 0.000 3.521) 3.521 2.604 ( 0.000 0.000 -0.194) 0.194 2.604 ( 0.000 0.000 0.194) 0.194 2.721 ( 0.000 0.000 -6.179) 6.179 2.721 ( 0.000 0.000 6.179) 6.179 2.794 ( 0.000 0.000 -3.147) 3.147 2.794 ( 0.000 0.000 3.147) 3.147 2.864 ( 0.000 0.000 -3.926) 3.926 2.864 ( 0.000 0.000 3.926) 3.926 2.880 ( 0.000 0.000 -1.742) 1.742 2.880 ( 0.000 0.000 1.742) 1.742 2.947 ( 0.000 0.000 -2.162) 2.162 2.947 ( 0.000 0.000 2.162) 2.162 3.029 ( 0.000 0.000 -2.020) 2.020 3.029 ( 0.000 0.000 2.020) 2.020 3.144 ( 0.000 0.000 -0.294) 0.294 3.144 ( 0.000 0.000 0.294) 0.294 3.182 ( 0.000 0.000 -0.185) 0.185 3.182 ( 0.000 0.000 0.185) 0.185 3.323 ( 0.000 0.000 -7.608) 7.608 3.323 ( 0.000 0.000 7.608) 7.608 3.869 ( 0.000 0.000 -0.317) 0.317 3.869 ( 0.000 0.000 0.317) 0.317 4.197 ( 0.000 0.000 -0.735) 0.735 4.197 ( 0.000 0.000 0.735) 0.735 7.644 ( 0.000 0.000 -0.288) 0.288 7.644 ( 0.000 0.000 0.288) 0.288 7.839 ( 0.000 0.000 -0.774) 0.774 7.839 ( 0.000 0.000 0.774) 0.774 7.947 ( 0.000 0.000 -3.958) 3.958 7.947 ( 0.000 0.000 3.958) 3.958 8.086 ( 0.000 0.000 -1.372) 1.372 8.086 ( 0.000 0.000 1.372) 1.372 8.559 ( 0.000 0.000 -3.051) 3.051 8.559 ( 0.000 0.000 3.051) 3.051 8.701 ( 0.000 0.000 -0.633) 0.633 8.701 ( 0.000 0.000 0.633) 0.633 ======================= Grid point 108 (34/48) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 7.193 -8.444 -8.907) 14.226 0.607 ( 7.193 -8.444 8.907) 14.226 0.775 ( 3.201 -15.489 -8.848) 18.123 0.775 ( 3.201 -15.489 8.848) 18.123 1.058 ( 1.973 -5.175 -2.536) 6.092 1.058 ( 1.973 -5.175 2.536) 6.092 1.177 ( 0.991 -3.624 -6.930) 7.883 1.177 ( 0.991 -3.624 6.930) 7.883 1.334 ( -3.887 -6.483 -1.252) 7.662 1.334 ( -3.887 -6.483 1.252) 7.662 1.398 ( 3.474 -8.080 -11.345) 14.355 1.398 ( 3.474 -8.080 11.345) 14.355 1.462 ( -0.585 -1.491 -0.378) 1.645 1.462 ( -0.585 -1.491 0.378) 1.645 1.534 ( -3.328 -3.551 -2.083) 5.294 1.534 ( -3.328 -3.551 2.083) 5.294 1.580 ( 2.304 -2.565 -4.272) 5.489 1.580 ( 2.304 -2.565 4.272) 5.489 1.665 ( -1.743 -2.099 -1.662) 3.194 1.665 ( -1.743 -2.099 1.662) 3.194 1.695 ( 0.935 -0.635 -4.367) 4.511 1.695 ( 0.935 -0.635 4.367) 4.511 1.856 ( -2.898 -2.772 -2.345) 4.646 1.856 ( -2.898 -2.772 2.345) 4.646 1.912 ( 1.907 -2.970 -1.788) 3.956 1.912 ( 1.907 -2.970 1.788) 3.956 1.937 ( -0.756 0.804 -3.966) 4.116 1.937 ( -0.756 0.804 3.966) 4.116 1.968 ( 1.260 -1.891 -1.276) 2.606 1.968 ( 1.260 -1.891 1.276) 2.606 2.171 ( -1.053 2.756 -3.451) 4.540 2.171 ( -1.053 2.756 3.451) 4.540 2.233 ( -0.357 0.368 -1.137) 1.248 2.233 ( -0.357 0.368 1.137) 1.248 2.300 ( -1.190 2.881 -1.691) 3.546 2.300 ( -1.190 2.881 1.691) 3.546 2.335 ( -0.977 -3.113 -1.364) 3.536 2.335 ( -0.977 -3.113 1.364) 3.536 2.401 ( 0.346 1.169 -5.628) 5.758 2.401 ( 0.346 1.169 5.628) 5.758 2.449 ( -1.188 2.520 -1.029) 2.970 2.449 ( -1.188 2.520 1.029) 2.970 2.523 ( -1.806 -1.571 -3.626) 4.345 2.523 ( -1.806 -1.571 3.626) 4.345 2.552 ( -4.120 -3.749 -0.555) 5.598 2.552 ( -4.120 -3.749 0.555) 5.598 2.604 ( 2.125 -1.531 -0.996) 2.802 2.604 ( 2.125 -1.531 0.996) 2.802 2.647 ( 0.642 -3.675 -1.405) 3.986 2.647 ( 0.642 -3.675 1.405) 3.986 2.718 ( 1.026 0.504 -4.138) 4.294 2.718 ( 1.026 0.504 4.138) 4.294 2.829 ( -1.432 -3.182 -1.786) 3.920 2.829 ( -1.432 -3.182 1.786) 3.920 2.868 ( 0.961 -0.417 -1.553) 1.874 2.868 ( 0.961 -0.417 1.553) 1.874 2.918 ( 3.330 -2.182 -1.010) 4.107 2.918 ( 3.330 -2.182 1.010) 4.107 2.969 ( -0.087 -2.214 -1.695) 2.790 2.969 ( -0.087 -2.214 1.695) 2.790 3.055 ( 0.297 -1.708 -2.138) 2.753 3.055 ( 0.297 -1.708 2.138) 2.753 3.130 ( -2.416 -1.214 -0.876) 2.842 3.130 ( -2.416 -1.214 0.876) 2.842 3.222 ( 2.890 -1.709 -0.702) 3.431 3.222 ( 2.890 -1.709 0.702) 3.431 3.330 ( 0.443 0.240 -7.794) 7.811 3.330 ( 0.443 0.240 7.794) 7.811 3.870 ( -0.045 -0.059 -0.174) 0.189 3.870 ( -0.045 -0.059 0.174) 0.189 4.201 ( 0.554 -0.139 -0.596) 0.826 4.201 ( 0.554 -0.139 0.596) 0.826 7.651 ( 0.069 -0.662 -0.291) 0.726 7.651 ( 0.069 -0.662 0.291) 0.726 7.858 ( 0.618 -1.633 -0.425) 1.797 7.858 ( 0.618 -1.633 0.425) 1.797 7.938 ( 0.928 1.143 -3.463) 3.763 7.938 ( 0.928 1.143 3.463) 3.763 8.073 ( 0.193 1.377 -3.431) 3.702 8.073 ( 0.193 1.377 3.431) 3.702 8.546 ( -0.157 1.172 -2.741) 2.985 8.546 ( -0.157 1.172 2.741) 2.985 8.689 ( -0.840 0.506 -1.361) 1.677 8.689 ( -0.840 0.506 1.361) 1.677 ======================= Grid point 110 (35/48) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 7.490 -9.487 -6.162) 13.568 0.847 ( 7.490 -9.487 6.162) 13.568 1.037 ( 1.559 -9.083 -11.504) 14.740 1.037 ( 1.559 -9.083 11.504) 14.740 1.181 ( 1.360 -5.039 -4.013) 6.584 1.181 ( 1.360 -5.039 4.013) 6.584 1.314 ( -0.858 -7.407 -3.753) 8.348 1.314 ( -0.858 -7.407 3.753) 8.348 1.467 ( -1.440 -7.046 -2.392) 7.579 1.467 ( -1.440 -7.046 2.392) 7.579 1.488 ( -0.149 -2.623 -3.017) 4.001 1.488 ( -0.149 -2.623 3.017) 4.001 1.565 ( -0.302 -3.676 -1.359) 3.931 1.565 ( -0.302 -3.676 1.359) 3.931 1.594 ( -2.488 -1.823 -2.626) 4.051 1.594 ( -2.488 -1.823 2.626) 4.051 1.653 ( 1.082 -3.884 -4.391) 5.961 1.653 ( 1.082 -3.884 4.391) 5.961 1.715 ( 0.688 -2.062 -2.643) 3.422 1.715 ( 0.688 -2.062 2.643) 3.422 1.755 ( 3.592 -6.740 -5.713) 9.538 1.755 ( 3.592 -6.740 5.713) 9.538 1.872 ( -1.951 -1.824 -1.694) 3.163 1.872 ( -1.951 -1.824 1.694) 3.163 1.933 ( -2.323 -3.580 -2.991) 5.211 1.933 ( -2.323 -3.580 2.991) 5.211 1.994 ( 0.380 -1.614 -3.739) 4.091 1.994 ( 0.380 -1.614 3.739) 4.091 2.046 ( 0.229 -4.270 -3.867) 5.765 2.046 ( 0.229 -4.270 3.867) 5.765 2.131 ( -0.083 2.269 -1.155) 2.547 2.131 ( -0.083 2.269 1.155) 2.547 2.229 ( -0.277 -1.037 -1.406) 1.769 2.229 ( -0.277 -1.037 1.406) 1.769 2.253 ( 0.038 1.340 -0.986) 1.664 2.253 ( 0.038 1.340 0.986) 1.664 2.349 ( 0.145 1.675 -0.662) 1.807 2.349 ( 0.145 1.675 0.662) 1.807 2.387 ( -2.397 -1.774 -1.700) 3.432 2.387 ( -2.397 -1.774 1.700) 3.432 2.443 ( 0.592 -2.491 -2.929) 3.890 2.443 ( 0.592 -2.491 2.929) 3.890 2.528 ( -2.356 -1.390 -1.957) 3.363 2.528 ( -2.356 -1.390 1.957) 3.363 2.599 ( -1.090 -1.628 -4.650) 5.046 2.599 ( -1.090 -1.628 4.650) 5.046 2.640 ( 0.210 -0.237 -0.192) 0.370 2.640 ( 0.210 -0.237 0.192) 0.370 2.673 ( -1.155 -1.857 -3.240) 3.909 2.673 ( -1.155 -1.857 3.240) 3.909 2.761 ( 0.299 -1.660 -2.430) 2.958 2.761 ( 0.299 -1.660 2.430) 2.958 2.848 ( -1.080 0.476 -0.741) 1.393 2.848 ( -1.080 0.476 0.741) 1.393 2.907 ( 0.399 -2.475 -1.627) 2.989 2.907 ( 0.399 -2.475 1.627) 2.989 2.984 ( -0.385 -1.812 -0.202) 1.864 2.984 ( -0.385 -1.812 0.202) 1.864 3.031 ( 0.969 -3.522 -0.882) 3.758 3.031 ( 0.969 -3.522 0.882) 3.758 3.082 ( 0.785 -1.818 -0.439) 2.028 3.082 ( 0.785 -1.818 0.439) 2.028 3.174 ( 3.059 -2.106 -1.064) 3.863 3.174 ( 3.059 -2.106 1.064) 3.863 3.271 ( -0.620 -1.848 -0.864) 2.132 3.271 ( -0.620 -1.848 0.864) 2.132 3.310 ( 1.538 1.679 -5.520) 5.971 3.310 ( 1.538 1.679 5.520) 5.971 3.870 ( -0.039 0.105 -0.114) 0.160 3.870 ( -0.039 0.105 0.114) 0.160 4.205 ( 0.622 0.157 -0.352) 0.732 4.205 ( 0.622 0.157 0.352) 0.732 7.667 ( 0.110 -0.696 -0.260) 0.751 7.667 ( 0.110 -0.696 0.260) 0.751 7.901 ( 0.542 -1.490 -1.097) 1.928 7.901 ( 0.542 -1.490 1.097) 1.928 7.920 ( 1.070 0.648 -2.015) 2.372 7.920 ( 1.070 0.648 2.015) 2.372 8.036 ( -0.062 2.200 -3.590) 4.211 8.036 ( -0.062 2.200 3.590) 4.211 8.516 ( -0.230 1.565 -2.012) 2.559 8.516 ( -0.230 1.565 2.012) 2.559 8.681 ( -0.658 -0.197 -1.096) 1.293 8.681 ( -0.658 -0.197 1.096) 1.293 ======================= Grid point 112 (36/48) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 5.760 -5.968 -4.386) 9.382 1.054 ( 5.760 -5.968 4.386) 9.382 1.159 ( -2.491 -1.654 -5.985) 6.691 1.159 ( -2.491 -1.654 5.985) 6.691 1.279 ( 1.251 -5.422 -6.495) 8.553 1.279 ( 1.251 -5.422 6.495) 8.553 1.415 ( -0.694 0.527 -7.302) 7.354 1.415 ( -0.694 0.527 7.302) 7.354 1.451 ( -1.366 0.391 -1.093) 1.793 1.451 ( -1.366 0.391 1.093) 1.793 1.546 ( -1.546 0.359 -2.181) 2.697 1.546 ( -1.546 0.359 2.181) 2.697 1.589 ( 1.241 -1.360 -4.580) 4.936 1.589 ( 1.241 -1.360 4.580) 4.936 1.656 ( -1.499 -4.078 -2.607) 5.067 1.656 ( -1.499 -4.078 2.607) 5.067 1.708 ( 1.470 -1.053 -0.201) 1.820 1.708 ( 1.470 -1.053 0.201) 1.820 1.740 ( 0.523 -0.956 -0.327) 1.138 1.740 ( 0.523 -0.956 0.327) 1.138 1.895 ( -0.559 -2.935 -2.108) 3.656 1.895 ( -0.559 -2.935 2.108) 3.656 1.905 ( 0.141 1.753 -1.706) 2.451 1.905 ( 0.141 1.753 1.706) 2.451 1.990 ( -0.753 -2.248 -2.889) 3.737 1.990 ( -0.753 -2.248 2.889) 3.737 2.021 ( -1.476 2.223 -2.659) 3.767 2.021 ( -1.476 2.223 2.659) 3.767 2.056 ( 0.371 -6.043 -2.655) 6.611 2.056 ( 0.371 -6.043 2.655) 6.611 2.174 ( 0.757 -2.513 -1.452) 3.000 2.174 ( 0.757 -2.513 1.452) 3.000 2.216 ( -1.189 0.577 -1.438) 1.953 2.216 ( -1.189 0.577 1.438) 1.953 2.248 ( 1.738 1.237 -1.778) 2.777 2.248 ( 1.738 1.237 1.778) 2.777 2.347 ( 1.097 -1.158 -1.114) 1.945 2.347 ( 1.097 -1.158 1.114) 1.945 2.444 ( -1.097 -2.466 -1.967) 3.340 2.444 ( -1.097 -2.466 1.967) 3.340 2.476 ( 0.555 -1.287 -2.523) 2.886 2.476 ( 0.555 -1.287 2.523) 2.886 2.548 ( 0.524 1.960 -2.852) 3.500 2.548 ( 0.524 1.960 2.852) 3.500 2.594 ( -0.365 -2.434 -0.874) 2.612 2.594 ( -0.365 -2.434 0.874) 2.612 2.667 ( -0.631 -1.892 -0.928) 2.200 2.667 ( -0.631 -1.892 0.928) 2.200 2.731 ( 0.441 -1.392 -0.855) 1.692 2.731 ( 0.441 -1.392 0.855) 1.692 2.738 ( -1.481 0.493 -0.500) 1.639 2.738 ( -1.481 0.493 0.500) 1.639 2.813 ( -0.580 2.586 -0.487) 2.694 2.813 ( -0.580 2.586 0.487) 2.694 2.909 ( -2.164 1.476 -0.338) 2.641 2.909 ( -2.164 1.476 0.338) 2.641 2.997 ( -0.353 -0.986 -0.695) 1.257 2.997 ( -0.353 -0.986 0.695) 1.257 3.090 ( 0.929 -1.361 -0.398) 1.695 3.090 ( 0.929 -1.361 0.398) 1.695 3.155 ( 1.618 -2.739 -0.058) 3.181 3.155 ( 1.618 -2.739 0.058) 3.181 3.222 ( 1.769 -0.438 -1.105) 2.131 3.222 ( 1.769 -0.438 1.105) 2.131 3.282 ( -1.735 -1.361 -1.469) 2.649 3.282 ( -1.735 -1.361 1.469) 2.649 3.303 ( 1.582 1.102 -1.493) 2.439 3.303 ( 1.582 1.102 1.493) 2.439 3.866 ( -0.014 0.155 -0.057) 0.166 3.866 ( -0.014 0.155 0.057) 0.166 4.204 ( 0.260 0.179 -0.118) 0.337 4.204 ( 0.260 0.179 0.118) 0.337 7.677 ( 0.059 -0.278 -0.111) 0.305 7.677 ( 0.059 -0.278 0.111) 0.305 7.896 ( 0.344 0.636 -0.798) 1.077 7.896 ( 0.344 0.636 0.798) 1.077 7.953 ( 0.134 -1.797 -1.618) 2.422 7.953 ( 0.134 -1.797 1.618) 2.422 7.994 ( 0.048 1.830 -2.663) 3.231 7.994 ( 0.048 1.830 2.663) 3.231 8.490 ( -0.097 0.698 -0.743) 1.024 8.490 ( -0.097 0.698 0.743) 1.024 8.683 ( -0.218 -0.221 -0.377) 0.488 8.683 ( -0.218 -0.221 0.377) 0.488 ======================= Grid point 122 (37/48) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 5.824 0.000 -10.376) 11.899 0.584 ( 5.824 0.000 10.376) 11.899 0.638 ( 19.451 0.000 -7.698) 20.919 0.638 ( 19.451 0.000 7.698) 20.919 1.020 ( 3.702 0.000 -0.325) 3.716 1.020 ( 3.702 0.000 0.325) 3.716 1.178 ( -5.277 -0.000 -12.413) 13.488 1.178 ( -5.277 -0.000 12.413) 13.488 1.217 ( 3.956 0.000 -2.742) 4.813 1.217 ( 3.956 0.000 2.742) 4.813 1.322 ( 2.727 0.000 -17.287) 17.500 1.322 ( 2.727 0.000 17.287) 17.500 1.455 ( -1.787 -0.000 -5.107) 5.411 1.455 ( -1.787 -0.000 5.107) 5.411 1.473 ( -2.806 -0.000 -0.792) 2.915 1.473 ( -2.806 -0.000 0.792) 2.915 1.558 ( -0.286 -0.000 -4.125) 4.135 1.558 ( -0.286 -0.000 4.125) 4.135 1.621 ( -3.472 -0.000 -4.021) 5.312 1.621 ( -3.472 -0.000 4.021) 5.312 1.701 ( 1.266 0.000 -6.148) 6.277 1.701 ( 1.266 0.000 6.148) 6.277 1.793 ( -2.713 -0.000 -2.179) 3.479 1.793 ( -2.713 -0.000 2.179) 3.479 1.894 ( 1.564 0.000 -2.887) 3.284 1.894 ( 1.564 0.000 2.887) 3.284 1.948 ( 1.431 0.000 -0.680) 1.584 1.948 ( 1.431 0.000 0.680) 1.584 1.959 ( -0.053 -0.000 -3.938) 3.938 1.959 ( -0.053 -0.000 3.938) 3.938 2.183 ( -5.825 -0.000 -2.474) 6.329 2.183 ( -5.825 -0.000 2.474) 6.329 2.233 ( -2.215 -0.000 -1.566) 2.713 2.233 ( -2.215 -0.000 1.566) 2.713 2.307 ( 0.295 0.000 -1.316) 1.349 2.307 ( 0.295 0.000 1.316) 1.349 2.344 ( -0.270 -0.000 -4.465) 4.473 2.344 ( -0.270 -0.000 4.465) 4.473 2.404 ( -2.825 -0.000 -3.619) 4.591 2.404 ( -2.825 -0.000 3.619) 4.591 2.443 ( -2.789 -0.000 -1.090) 2.994 2.443 ( -2.789 -0.000 1.090) 2.994 2.461 ( -2.223 -0.000 -2.182) 3.115 2.461 ( -2.223 -0.000 2.182) 3.115 2.522 ( -0.109 -0.000 -4.226) 4.227 2.522 ( -0.109 -0.000 4.226) 4.227 2.596 ( 0.688 0.000 -1.328) 1.495 2.596 ( 0.688 0.000 1.328) 1.495 2.611 ( 0.577 0.000 -0.355) 0.678 2.611 ( 0.577 0.000 0.355) 0.678 2.721 ( 0.052 0.000 -5.709) 5.709 2.721 ( 0.052 0.000 5.709) 5.709 2.778 ( -1.280 -0.000 -3.132) 3.383 2.778 ( -1.280 -0.000 3.132) 3.383 2.881 ( 1.964 0.000 -1.458) 2.446 2.881 ( 1.964 0.000 1.458) 2.446 2.927 ( 4.203 0.000 -1.790) 4.568 2.927 ( 4.203 0.000 1.790) 4.568 2.952 ( 1.283 0.000 -0.313) 1.321 2.952 ( 1.283 0.000 0.313) 1.321 3.039 ( -0.732 -0.000 -1.121) 1.339 3.039 ( -0.732 -0.000 1.121) 1.339 3.085 ( -0.623 -0.000 -0.692) 0.931 3.085 ( -0.623 -0.000 0.692) 0.931 3.228 ( 2.142 0.000 -0.972) 2.352 3.228 ( 2.142 0.000 0.972) 2.352 3.337 ( 1.974 0.000 -7.364) 7.624 3.337 ( 1.974 0.000 7.364) 7.624 3.868 ( -0.394 -0.000 -0.054) 0.398 3.868 ( -0.394 -0.000 0.054) 0.398 4.205 ( 1.216 0.000 -0.646) 1.377 4.205 ( 1.216 0.000 0.646) 1.377 7.645 ( 0.176 0.000 -0.286) 0.336 7.645 ( 0.176 0.000 0.286) 0.336 7.849 ( 1.423 0.000 -1.028) 1.755 7.849 ( 1.423 0.000 1.028) 1.755 7.959 ( 1.375 0.000 -3.685) 3.933 7.959 ( 1.375 0.000 3.685) 3.933 8.092 ( 0.880 0.000 -0.178) 0.898 8.092 ( 0.880 0.000 0.178) 0.898 8.557 ( -0.242 -0.000 -2.895) 2.905 8.557 ( -0.242 -0.000 2.895) 2.905 8.686 ( -1.962 -0.000 -0.779) 2.111 8.686 ( -1.962 -0.000 0.779) 2.111 ======================= Grid point 124 (38/48) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 9.491 -8.077 -6.539) 14.074 0.737 ( 9.491 -8.077 6.539) 14.074 0.874 ( 11.408 -8.708 -9.282) 17.092 0.874 ( 11.408 -8.708 9.282) 17.092 1.098 ( 2.879 -4.320 -4.396) 6.802 1.098 ( 2.879 -4.320 4.396) 6.802 1.179 ( -1.559 -4.522 -3.847) 6.138 1.179 ( -1.559 -4.522 3.847) 6.138 1.306 ( 0.671 -6.151 -3.034) 6.891 1.306 ( 0.671 -6.151 3.034) 6.891 1.436 ( -0.636 -4.254 -7.445) 8.598 1.436 ( -0.636 -4.254 7.445) 8.598 1.450 ( 1.894 -4.809 -3.034) 5.993 1.450 ( 1.894 -4.809 3.034) 5.993 1.501 ( -1.609 -3.599 -2.858) 4.869 1.501 ( -1.609 -3.599 2.858) 4.869 1.585 ( -0.973 -3.368 -3.217) 4.758 1.585 ( -0.973 -3.368 3.217) 4.758 1.637 ( -1.946 -3.497 -1.268) 4.198 1.637 ( -1.946 -3.497 1.268) 4.198 1.710 ( 1.133 -1.203 -4.045) 4.369 1.710 ( 1.133 -1.203 4.045) 4.369 1.829 ( -0.895 -2.885 -2.107) 3.682 1.829 ( -0.895 -2.885 2.107) 3.682 1.900 ( -1.423 0.725 -3.780) 4.104 1.900 ( -1.423 0.725 3.780) 4.104 1.957 ( 1.429 -2.386 -3.528) 4.492 1.957 ( 1.429 -2.386 3.528) 4.492 1.977 ( -0.272 -0.824 -1.816) 2.013 1.977 ( -0.272 -0.824 1.816) 2.013 2.151 ( -1.459 -0.973 -0.274) 1.775 2.151 ( -1.459 -0.973 0.274) 1.775 2.217 ( -2.096 0.458 -0.428) 2.188 2.217 ( -2.096 0.458 0.428) 2.188 2.279 ( -1.551 2.823 -3.086) 4.460 2.279 ( -1.551 2.823 3.086) 4.460 2.314 ( -2.067 -1.889 -1.944) 3.408 2.314 ( -2.067 -1.889 1.944) 3.408 2.392 ( -2.801 1.138 -4.522) 5.440 2.392 ( -2.801 1.138 4.522) 5.440 2.421 ( -2.722 0.545 -0.922) 2.926 2.421 ( -2.722 0.545 0.922) 2.926 2.480 ( -2.657 -2.348 -3.829) 5.219 2.480 ( -2.657 -2.348 3.829) 5.219 2.521 ( -0.886 -1.643 -3.605) 4.060 2.521 ( -0.886 -1.643 3.605) 4.060 2.608 ( -1.164 -1.822 -0.913) 2.347 2.608 ( -1.164 -1.822 0.913) 2.347 2.659 ( 0.989 -1.889 -1.057) 2.380 2.659 ( 0.989 -1.889 1.057) 2.380 2.734 ( 0.918 -1.146 -2.058) 2.528 2.734 ( 0.918 -1.146 2.058) 2.528 2.814 ( -0.360 -3.341 -1.887) 3.854 2.814 ( -0.360 -3.341 1.887) 3.854 2.873 ( -0.736 1.032 -1.033) 1.635 2.873 ( -0.736 1.032 1.033) 1.635 2.970 ( 1.537 -2.885 -2.130) 3.902 2.970 ( 1.537 -2.885 2.130) 3.902 2.976 ( 3.117 -0.538 -0.608) 3.221 2.976 ( 3.117 -0.538 0.608) 3.221 3.052 ( -0.242 -1.881 -1.201) 2.245 3.052 ( -0.242 -1.881 1.201) 2.245 3.144 ( 4.370 -2.986 -1.928) 5.633 3.144 ( 4.370 -2.986 1.928) 5.633 3.243 ( 0.320 -0.638 -0.914) 1.159 3.243 ( 0.320 -0.638 0.914) 1.159 3.346 ( 1.611 0.671 -5.743) 6.002 3.346 ( 1.611 0.671 5.743) 6.002 3.866 ( -0.611 -0.232 -0.294) 0.717 3.866 ( -0.611 -0.232 0.294) 0.717 4.214 ( 1.330 0.086 -0.459) 1.409 4.214 ( 1.330 0.086 0.459) 1.409 7.653 ( 0.244 -0.631 -0.291) 0.737 7.653 ( 0.244 -0.631 0.291) 0.737 7.874 ( 1.616 -1.306 -0.900) 2.264 7.874 ( 1.616 -1.306 0.900) 2.264 7.955 ( 1.088 1.158 -3.083) 3.468 7.955 ( 1.088 1.158 3.083) 3.468 8.078 ( 0.593 1.857 -2.509) 3.178 8.078 ( 0.593 1.857 2.509) 3.178 8.543 ( -0.322 1.188 -2.516) 2.801 8.543 ( -0.322 1.188 2.516) 2.801 8.671 ( -1.606 -0.037 -1.139) 1.969 8.671 ( -1.606 -0.037 1.139) 1.969 ======================= Grid point 126 (39/48) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 8.977 -7.735 -3.706) 12.416 0.967 ( 8.977 -7.735 3.706) 12.416 1.072 ( 3.673 -6.074 -11.101) 13.176 1.072 ( 3.673 -6.074 11.101) 13.176 1.192 ( -0.319 -4.133 -6.834) 7.993 1.192 ( -0.319 -4.133 6.834) 7.993 1.307 ( 0.994 -7.075 -4.262) 8.319 1.307 ( 0.994 -7.075 4.262) 8.319 1.424 ( -5.622 -4.625 -2.095) 7.576 1.424 ( -5.622 -4.625 2.095) 7.576 1.493 ( -2.939 -4.119 -2.837) 5.801 1.493 ( -2.939 -4.119 2.837) 5.801 1.534 ( 0.520 -2.274 -3.943) 4.581 1.534 ( 0.520 -2.274 3.943) 4.581 1.589 ( 1.450 -3.307 -1.285) 3.833 1.589 ( 1.450 -3.307 1.285) 3.833 1.675 ( 1.328 -3.110 -2.681) 4.316 1.675 ( 1.328 -3.110 2.681) 4.316 1.724 ( 0.825 -3.504 -1.291) 3.824 1.724 ( 0.825 -3.504 1.291) 3.824 1.791 ( 1.192 -6.317 -1.539) 6.610 1.791 ( 1.192 -6.317 1.539) 6.610 1.877 ( 1.330 -2.515 -3.033) 4.159 1.877 ( 1.330 -2.515 3.033) 4.159 1.906 ( 0.108 -3.519 -3.447) 4.927 1.906 ( 0.108 -3.519 3.447) 4.927 1.982 ( -1.817 -1.896 -2.761) 3.811 1.982 ( -1.817 -1.896 2.761) 3.811 2.049 ( 0.180 -2.319 -4.426) 5.000 2.049 ( 0.180 -2.319 4.426) 5.000 2.121 ( -1.267 1.596 -2.061) 2.898 2.121 ( -1.267 1.596 2.061) 2.898 2.218 ( -1.672 -1.362 -1.825) 2.825 2.218 ( -1.672 -1.362 1.825) 2.825 2.265 ( 1.720 0.079 -2.267) 2.847 2.265 ( 1.720 0.079 2.267) 2.847 2.331 ( -2.300 -0.693 -3.347) 4.119 2.331 ( -2.300 -0.693 3.347) 4.119 2.360 ( -1.900 -2.197 -1.957) 3.502 2.360 ( -1.900 -2.197 1.957) 3.502 2.435 ( -2.453 -3.698 -4.644) 6.424 2.435 ( -2.453 -3.698 4.644) 6.424 2.516 ( 1.303 -2.438 -0.567) 2.822 2.516 ( 1.303 -2.438 0.567) 2.822 2.574 ( -1.814 -3.259 -3.252) 4.948 2.574 ( -1.814 -3.259 3.252) 4.948 2.634 ( 0.010 0.324 -2.441) 2.462 2.634 ( 0.010 0.324 2.441) 2.462 2.670 ( -0.910 -1.974 -2.131) 3.044 2.670 ( -0.910 -1.974 2.131) 3.044 2.762 ( 0.522 0.186 -2.414) 2.477 2.762 ( 0.522 0.186 2.414) 2.477 2.840 ( -0.792 0.345 -1.377) 1.626 2.840 ( -0.792 0.345 1.377) 1.626 2.887 ( -1.533 -2.294 -1.493) 3.137 2.887 ( -1.533 -2.294 1.493) 3.137 2.977 ( -0.778 0.810 -2.460) 2.705 2.977 ( -0.778 0.810 2.460) 2.705 3.061 ( 2.690 -3.332 -0.501) 4.312 3.061 ( 2.690 -3.332 0.501) 4.312 3.104 ( 1.890 -2.878 -0.610) 3.497 3.104 ( 1.890 -2.878 0.610) 3.497 3.213 ( -0.226 -1.615 -0.542) 1.719 3.213 ( -0.226 -1.615 0.542) 1.719 3.259 ( 2.122 -0.478 -0.442) 2.219 3.259 ( 2.122 -0.478 0.442) 2.219 3.338 ( 1.713 0.951 -2.742) 3.370 3.338 ( 1.713 0.951 2.742) 3.370 3.867 ( -0.290 -0.119 -0.372) 0.486 3.867 ( -0.290 -0.119 0.372) 0.486 4.216 ( 0.837 0.526 -0.214) 1.011 4.216 ( 0.837 0.526 0.214) 1.011 7.669 ( 0.162 -0.632 -0.256) 0.701 7.669 ( 0.162 -0.632 0.256) 0.701 7.909 ( 0.615 -0.748 -1.393) 1.697 7.909 ( 0.615 -0.748 1.393) 1.697 7.936 ( 1.076 0.718 -2.129) 2.491 7.936 ( 1.076 0.718 2.129) 2.491 8.035 ( -0.002 2.341 -2.661) 3.545 8.035 ( -0.002 2.341 2.661) 3.545 8.512 ( -0.252 1.484 -1.646) 2.231 8.512 ( -0.252 1.484 1.646) 2.231 8.671 ( -0.711 -0.651 -0.741) 1.216 8.671 ( -0.711 -0.651 0.741) 1.216 ======================= Grid point 128 (40/48) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.099 1.034 -4.569) 4.686 1.110 ( -0.099 1.034 4.569) 4.686 1.164 ( 5.528 -3.552 -1.801) 6.813 1.164 ( 5.528 -3.552 1.801) 6.813 1.290 ( 0.322 -5.214 -6.481) 8.324 1.290 ( 0.322 -5.214 6.481) 8.324 1.397 ( -3.535 2.399 -4.229) 6.011 1.397 ( -3.535 2.399 4.229) 6.011 1.426 ( -0.669 -3.446 -6.003) 6.954 1.426 ( -0.669 -3.446 6.003) 6.954 1.523 ( -1.866 -2.618 -4.650) 5.653 1.523 ( -1.866 -2.618 4.650) 5.653 1.601 ( 0.061 0.640 -4.041) 4.092 1.601 ( 0.061 0.640 4.041) 4.092 1.642 ( 1.292 -3.124 -2.108) 3.984 1.642 ( 1.292 -3.124 2.108) 3.984 1.721 ( -1.206 -2.211 -1.790) 3.090 1.721 ( -1.206 -2.211 1.790) 3.090 1.772 ( 4.362 0.311 -0.975) 4.480 1.772 ( 4.362 0.311 0.975) 4.480 1.878 ( -1.653 0.564 -0.714) 1.886 1.878 ( -1.653 0.564 0.714) 1.886 1.902 ( -0.784 -2.712 -1.138) 3.044 1.902 ( -0.784 -2.712 1.138) 3.044 1.966 ( -1.981 -2.519 -3.344) 4.632 1.966 ( -1.981 -2.519 3.344) 4.632 2.019 ( 1.025 0.849 -4.640) 4.828 2.019 ( 1.025 0.849 4.640) 4.828 2.084 ( 2.622 -3.687 -3.773) 5.891 2.084 ( 2.622 -3.687 3.773) 5.891 2.163 ( -2.241 -4.101 -1.100) 4.801 2.163 ( -2.241 -4.101 1.100) 4.801 2.204 ( -0.418 2.042 -0.564) 2.159 2.204 ( -0.418 2.042 0.564) 2.159 2.267 ( 1.470 0.718 -0.473) 1.704 2.267 ( 1.470 0.718 0.473) 1.704 2.338 ( -2.294 -0.911 -2.376) 3.426 2.338 ( -2.294 -0.911 2.376) 3.426 2.436 ( 0.345 -3.425 -2.061) 4.012 2.436 ( 0.345 -3.425 2.061) 4.012 2.480 ( -0.338 -1.184 -2.733) 2.997 2.480 ( -0.338 -1.184 2.733) 2.997 2.536 ( -1.555 1.803 -3.516) 4.246 2.536 ( -1.555 1.803 3.516) 4.246 2.621 ( 3.236 -2.835 -0.872) 4.390 2.621 ( 3.236 -2.835 0.872) 4.390 2.667 ( 0.841 -2.799 -0.654) 2.995 2.667 ( 0.841 -2.799 0.654) 2.995 2.722 ( -0.118 1.586 -0.478) 1.661 2.722 ( -0.118 1.586 0.478) 1.661 2.736 ( -0.897 -2.353 -1.359) 2.861 2.736 ( -0.897 -2.353 1.359) 2.861 2.804 ( -0.776 2.351 -0.861) 2.621 2.804 ( -0.776 2.351 0.861) 2.621 2.893 ( 0.565 -0.431 -1.306) 1.487 2.893 ( 0.565 -0.431 1.306) 1.487 2.973 ( -3.048 -1.572 -1.308) 3.670 2.973 ( -3.048 -1.572 1.308) 3.670 3.114 ( 2.275 -0.048 -0.632) 2.361 3.114 ( 2.275 -0.048 0.632) 2.361 3.167 ( -0.117 -0.975 -1.425) 1.730 3.167 ( -0.117 -0.975 1.425) 1.730 3.223 ( -1.591 -1.189 -0.686) 2.101 3.223 ( -1.591 -1.189 0.686) 2.101 3.270 ( 0.601 0.895 -0.647) 1.257 3.270 ( 0.601 0.895 0.647) 1.257 3.332 ( 1.925 1.056 -1.218) 2.510 3.332 ( 1.925 1.056 1.218) 2.510 3.866 ( 0.035 0.097 -0.313) 0.329 3.866 ( 0.035 0.097 0.313) 0.329 4.208 ( 0.221 0.535 -0.099) 0.587 4.208 ( 0.221 0.535 0.099) 0.587 7.678 ( 0.007 -0.208 -0.090) 0.227 7.678 ( 0.007 -0.208 0.090) 0.227 7.899 ( 0.134 0.913 -1.820) 2.040 7.899 ( 0.134 0.913 1.820) 2.040 7.957 ( 0.339 -1.329 -1.986) 2.413 7.957 ( 0.339 -1.329 1.986) 2.413 7.993 ( -0.046 1.781 -2.499) 3.069 7.993 ( -0.046 1.781 2.499) 3.069 8.489 ( -0.093 0.574 -0.307) 0.658 8.489 ( -0.093 0.574 0.307) 0.658 8.681 ( -0.138 -0.501 -0.071) 0.525 8.681 ( -0.138 -0.501 0.071) 0.525 ======================= Grid point 130 (41/48) ======================= q-point: (-0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -2.336 7.934 -5.986) 10.210 0.996 ( -2.336 7.934 5.986) 10.210 1.189 ( 1.383 5.718 -8.580) 10.403 1.189 ( 1.383 5.718 8.580) 10.403 1.266 ( -0.344 3.787 -3.742) 5.335 1.266 ( -0.344 3.787 3.742) 5.335 1.413 ( -0.760 0.187 -5.472) 5.527 1.413 ( -0.760 0.187 5.472) 5.527 1.464 ( 0.681 -3.112 -1.295) 3.439 1.464 ( 0.681 -3.112 1.295) 3.439 1.565 ( 1.360 -0.760 -3.356) 3.699 1.565 ( 1.360 -0.760 3.356) 3.699 1.580 ( -0.555 0.563 -3.615) 3.700 1.580 ( -0.555 0.563 3.615) 3.700 1.654 ( 0.123 1.554 -0.599) 1.670 1.654 ( 0.123 1.554 0.599) 1.670 1.697 ( -1.639 3.897 -2.849) 5.098 1.697 ( -1.639 3.897 2.849) 5.098 1.746 ( 1.016 2.278 -2.631) 3.625 1.746 ( 1.016 2.278 2.631) 3.625 1.884 ( -1.008 4.063 -2.420) 4.836 1.884 ( -1.008 4.063 2.420) 4.836 1.925 ( 2.354 -2.032 -0.147) 3.113 1.925 ( 2.354 -2.032 0.147) 3.113 1.981 ( -1.578 1.262 -3.415) 3.969 1.981 ( -1.578 1.262 3.415) 3.969 2.027 ( -0.164 -0.014 -3.679) 3.683 2.027 ( -0.164 -0.014 3.679) 3.683 2.097 ( 4.725 3.140 -1.780) 5.946 2.097 ( 4.725 3.140 1.780) 5.946 2.152 ( -2.503 1.648 -1.489) 3.346 2.152 ( -2.503 1.648 1.489) 3.346 2.222 ( -0.568 -0.897 -1.399) 1.756 2.222 ( -0.568 -0.897 1.399) 1.756 2.227 ( -0.549 1.093 -2.238) 2.550 2.227 ( -0.549 1.093 2.238) 2.550 2.321 ( -1.744 -0.278 -1.076) 2.068 2.321 ( -1.744 -0.278 1.076) 2.068 2.452 ( 0.159 1.897 -3.169) 3.697 2.452 ( 0.159 1.897 3.169) 3.697 2.472 ( -0.082 0.601 -2.104) 2.190 2.472 ( -0.082 0.601 2.104) 2.190 2.542 ( -0.068 -0.783 -2.863) 2.969 2.542 ( -0.068 -0.783 2.863) 2.969 2.613 ( 1.552 1.609 -1.624) 2.763 2.613 ( 1.552 1.609 1.624) 2.763 2.669 ( -0.573 2.657 -3.091) 4.116 2.669 ( -0.573 2.657 3.091) 4.116 2.716 ( -0.631 0.549 -2.181) 2.336 2.716 ( -0.631 0.549 2.181) 2.336 2.779 ( 3.261 -1.143 -0.860) 3.561 2.779 ( 3.261 -1.143 0.860) 3.561 2.816 ( -0.436 -2.942 -1.897) 3.528 2.816 ( -0.436 -2.942 1.897) 3.528 2.922 ( -0.467 0.185 -0.804) 0.948 2.922 ( -0.467 0.185 0.804) 0.948 2.999 ( 0.606 -2.992 -1.569) 3.432 2.999 ( 0.606 -2.992 1.569) 3.432 3.089 ( 0.734 3.203 -0.809) 3.384 3.089 ( 0.734 3.203 0.809) 3.384 3.126 ( -2.278 2.965 -0.811) 3.826 3.126 ( -2.278 2.965 0.811) 3.826 3.207 ( -0.094 2.980 -0.204) 2.989 3.207 ( -0.094 2.980 0.204) 2.989 3.268 ( -1.636 -1.395 -2.265) 3.123 3.268 ( -1.636 -1.395 2.265) 3.123 3.316 ( 1.189 1.612 -1.017) 2.246 3.316 ( 1.189 1.612 1.017) 2.246 3.866 ( 0.033 -0.113 -0.177) 0.213 3.866 ( 0.033 -0.113 0.177) 0.213 4.201 ( -0.111 0.091 -0.258) 0.295 4.201 ( -0.111 0.091 0.258) 0.295 7.677 ( -0.043 0.313 -0.125) 0.340 7.677 ( -0.043 0.313 0.125) 0.340 7.891 ( -0.224 -0.251 -0.302) 0.452 7.891 ( -0.224 -0.251 0.302) 0.452 7.953 ( 0.070 2.208 -1.680) 2.776 7.953 ( 0.070 2.208 1.680) 2.776 7.992 ( -0.081 -2.011 -3.090) 3.687 7.992 ( -0.081 -2.011 3.090) 3.687 8.491 ( 0.039 -0.813 -1.087) 1.358 8.491 ( 0.039 -0.813 1.087) 1.358 8.686 ( 0.112 -0.015 -0.617) 0.627 8.686 ( 0.112 -0.015 0.617) 0.627 ======================= Grid point 132 (42/48) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 10.934 -7.467) 13.241 0.792 ( 0.000 10.934 7.467) 13.241 1.027 ( 0.000 9.912 -11.750) 15.372 1.027 ( 0.000 9.912 11.750) 15.372 1.170 ( 0.000 5.844 -3.101) 6.616 1.170 ( 0.000 5.844 3.101) 6.616 1.317 ( 0.000 8.080 -3.674) 8.876 1.317 ( 0.000 8.080 3.674) 8.876 1.488 ( 0.000 1.934 -4.077) 4.513 1.488 ( 0.000 1.934 4.077) 4.513 1.489 ( 0.000 7.292 -1.654) 7.478 1.489 ( 0.000 7.292 1.654) 7.478 1.555 ( 0.000 4.502 -3.119) 5.478 1.555 ( 0.000 4.502 3.119) 5.478 1.625 ( 0.000 2.925 -3.966) 4.928 1.625 ( 0.000 2.925 3.966) 4.928 1.636 ( 0.000 2.384 -6.164) 6.609 1.636 ( 0.000 2.384 6.164) 6.609 1.710 ( 0.000 1.413 -4.815) 5.018 1.710 ( 0.000 1.413 4.815) 5.018 1.727 ( 0.000 5.894 -5.906) 8.344 1.727 ( 0.000 5.894 5.906) 8.344 1.897 ( 0.000 1.840 -3.234) 3.721 1.897 ( 0.000 1.840 3.234) 3.721 1.952 ( 0.000 1.550 -0.979) 1.834 1.952 ( 0.000 1.550 0.979) 1.834 1.982 ( 0.000 5.010 -6.029) 7.838 1.982 ( 0.000 5.010 6.029) 7.838 2.046 ( 0.000 4.615 -3.522) 5.805 2.046 ( 0.000 4.615 3.522) 5.805 2.129 ( -0.000 -1.847 -0.901) 2.054 2.129 ( -0.000 -1.847 0.901) 2.054 2.235 ( 0.000 0.163 -0.473) 0.501 2.235 ( 0.000 0.163 0.473) 0.501 2.252 ( -0.000 -2.674 -1.891) 3.275 2.252 ( -0.000 -2.674 1.891) 3.275 2.342 ( -0.000 -1.984 -1.921) 2.762 2.342 ( -0.000 -1.984 1.921) 2.762 2.411 ( 0.000 0.145 -2.984) 2.987 2.411 ( 0.000 0.145 2.984) 2.987 2.434 ( 0.000 3.344 -1.685) 3.744 2.434 ( 0.000 3.344 1.685) 3.744 2.553 ( 0.000 0.150 -3.220) 3.224 2.553 ( 0.000 0.150 3.220) 3.224 2.607 ( 0.000 1.831 -2.432) 3.044 2.607 ( 0.000 1.831 2.432) 3.044 2.621 ( -0.000 -0.388 -4.018) 4.036 2.621 ( -0.000 -0.388 4.018) 4.036 2.705 ( 0.000 0.897 -3.977) 4.077 2.705 ( 0.000 0.897 3.977) 4.077 2.746 ( 0.000 4.605 -1.423) 4.820 2.746 ( 0.000 4.605 1.423) 4.820 2.863 ( -0.000 -1.085 -2.553) 2.774 2.863 ( -0.000 -1.085 2.553) 2.774 2.891 ( 0.000 1.968 -0.933) 2.178 2.891 ( 0.000 1.968 0.933) 2.178 2.979 ( 0.000 4.485 -2.348) 5.062 2.979 ( 0.000 4.485 2.348) 5.062 3.039 ( 0.000 4.279 -1.284) 4.468 3.039 ( 0.000 4.279 1.284) 4.468 3.079 ( -0.000 -0.097 -2.142) 2.144 3.079 ( -0.000 -0.097 2.142) 2.144 3.153 ( 0.000 1.540 -0.718) 1.699 3.153 ( 0.000 1.540 0.718) 1.699 3.262 ( 0.000 2.275 -1.780) 2.889 3.262 ( 0.000 2.275 1.780) 2.889 3.307 ( -0.000 -1.373 -5.796) 5.956 3.307 ( -0.000 -1.373 5.796) 5.956 3.870 ( -0.000 -0.123 -0.135) 0.183 3.870 ( -0.000 -0.123 0.135) 0.183 4.201 ( -0.000 -0.004 -0.419) 0.419 4.201 ( -0.000 -0.004 0.419) 0.419 7.666 ( 0.000 0.705 -0.255) 0.750 7.666 ( 0.000 0.705 0.255) 0.750 7.897 ( 0.000 1.404 -1.117) 1.794 7.897 ( 0.000 1.404 1.117) 1.794 7.912 ( -0.000 -0.079 -1.624) 1.626 7.912 ( -0.000 -0.079 1.624) 1.626 8.036 ( -0.000 -2.180 -4.007) 4.562 8.036 ( -0.000 -2.180 4.007) 4.562 8.517 ( -0.000 -1.610 -2.162) 2.696 8.517 ( -0.000 -1.610 2.162) 2.696 8.686 ( -0.000 -0.034 -1.236) 1.237 8.686 ( -0.000 -0.034 1.236) 1.237 ======================= Grid point 138 (43/48) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 9.276 0.000 -8.842) 12.815 0.689 ( 9.276 0.000 8.842) 12.815 0.910 ( 17.664 0.000 -7.011) 19.004 0.910 ( 17.664 0.000 7.011) 19.004 1.065 ( 0.243 0.000 -4.980) 4.985 1.065 ( 0.243 0.000 4.980) 4.985 1.105 ( -2.364 -0.000 -9.914) 10.192 1.105 ( -2.364 -0.000 9.914) 10.192 1.273 ( 1.818 0.000 -7.961) 8.166 1.273 ( 1.818 0.000 7.961) 8.166 1.361 ( 3.978 0.000 -14.916) 15.437 1.361 ( 3.978 0.000 14.916) 15.437 1.440 ( -1.613 -0.000 -0.485) 1.685 1.440 ( -1.613 -0.000 0.485) 1.685 1.459 ( 2.624 0.000 -7.735) 8.168 1.459 ( 2.624 0.000 7.735) 8.168 1.524 ( -3.529 -0.000 -5.650) 6.661 1.524 ( -3.529 -0.000 5.650) 6.661 1.575 ( -2.957 -0.000 -0.710) 3.041 1.575 ( -2.957 -0.000 0.710) 3.041 1.712 ( 0.161 0.000 -5.207) 5.209 1.712 ( 0.161 0.000 5.207) 5.209 1.780 ( 0.679 0.000 -3.711) 3.773 1.780 ( 0.679 0.000 3.711) 3.773 1.898 ( -0.027 -0.000 -2.206) 2.207 1.898 ( -0.027 -0.000 2.206) 2.207 1.949 ( -0.560 -0.000 -3.469) 3.514 1.949 ( -0.560 -0.000 3.469) 3.514 1.970 ( -0.535 -0.000 -0.871) 1.022 1.970 ( -0.535 -0.000 0.871) 1.022 2.109 ( -3.981 -0.000 -0.875) 4.077 2.109 ( -3.981 -0.000 0.875) 4.077 2.198 ( -2.541 -0.000 -1.925) 3.188 2.198 ( -2.541 -0.000 1.925) 3.188 2.270 ( -8.740 -0.000 -3.769) 9.518 2.270 ( -8.740 -0.000 3.769) 9.518 2.316 ( -1.660 -0.000 -1.704) 2.379 2.316 ( -1.660 -0.000 1.704) 2.379 2.377 ( 1.007 0.000 -8.410) 8.470 2.377 ( 1.007 0.000 8.410) 8.470 2.405 ( -3.014 -0.000 -1.000) 3.176 2.405 ( -3.014 -0.000 1.000) 3.176 2.441 ( -0.968 -0.000 -6.428) 6.500 2.441 ( -0.968 -0.000 6.428) 6.500 2.523 ( 0.266 0.000 -3.717) 3.726 2.523 ( 0.266 0.000 3.717) 3.726 2.584 ( -2.093 -0.000 -1.350) 2.491 2.584 ( -2.093 -0.000 1.350) 2.491 2.634 ( 2.933 0.000 -0.613) 2.997 2.634 ( 2.933 0.000 0.613) 2.997 2.722 ( -0.076 -0.000 -5.303) 5.303 2.722 ( -0.076 -0.000 5.303) 5.303 2.769 ( -0.263 -0.000 -2.681) 2.694 2.769 ( -0.263 -0.000 2.681) 2.694 2.893 ( -1.371 -0.000 -0.865) 1.621 2.893 ( -1.371 -0.000 0.865) 1.621 2.952 ( 2.155 0.000 -2.062) 2.983 2.952 ( 2.155 0.000 2.062) 2.983 2.984 ( 1.836 0.000 -0.133) 1.841 2.984 ( 1.836 0.000 0.133) 1.841 3.021 ( 0.453 0.000 -0.136) 0.473 3.021 ( 0.453 0.000 0.136) 0.473 3.143 ( 4.403 0.000 -1.912) 4.800 3.143 ( 4.403 0.000 1.912) 4.800 3.248 ( 2.547 0.000 -0.383) 2.576 3.248 ( 2.547 0.000 0.383) 2.576 3.362 ( 1.158 0.000 -5.072) 5.202 3.362 ( 1.158 0.000 5.072) 5.202 3.856 ( -1.316 -0.000 -0.222) 1.335 3.856 ( -1.316 -0.000 0.222) 1.335 4.226 ( 1.604 0.000 -0.461) 1.669 4.226 ( 1.604 0.000 0.461) 1.669 7.649 ( 0.411 0.000 -0.280) 0.497 7.649 ( 0.411 0.000 0.280) 0.497 7.875 ( 2.326 0.000 -1.619) 2.834 7.875 ( 2.326 0.000 1.619) 2.834 7.969 ( -0.267 -0.000 -1.934) 1.952 7.969 ( -0.267 -0.000 1.934) 1.952 8.108 ( 1.384 0.000 -3.964) 4.199 8.108 ( 1.384 0.000 3.964) 4.199 8.553 ( -0.290 -0.000 -2.542) 2.559 8.553 ( -0.290 -0.000 2.542) 2.559 8.658 ( -1.870 -0.000 -0.735) 2.010 8.658 ( -1.870 -0.000 0.735) 2.010 ======================= Grid point 140 (44/48) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.356 -8.353 -6.066) 13.281 0.855 ( 8.356 -8.353 6.066) 13.281 1.019 ( 4.590 -3.021 -7.378) 9.200 1.019 ( 4.590 -3.021 7.378) 9.200 1.103 ( 1.356 -3.618 -5.965) 7.107 1.103 ( 1.356 -3.618 5.965) 7.107 1.187 ( 3.245 -6.227 -7.487) 10.265 1.187 ( 3.245 -6.227 7.487) 10.265 1.300 ( -2.616 -2.747 -7.266) 8.197 1.300 ( -2.616 -2.747 7.266) 8.197 1.398 ( -5.318 -2.123 -3.585) 6.756 1.398 ( -5.318 -2.123 3.585) 6.756 1.488 ( 2.372 -3.931 -6.273) 7.773 1.488 ( 2.372 -3.931 6.273) 7.773 1.508 ( 3.845 -3.389 -1.222) 5.269 1.508 ( 3.845 -3.389 1.222) 5.269 1.587 ( 0.902 -6.247 -2.776) 6.895 1.587 ( 0.902 -6.247 2.776) 6.895 1.618 ( -0.501 -5.315 -1.481) 5.540 1.618 ( -0.501 -5.315 1.481) 5.540 1.728 ( 1.913 -1.875 -4.062) 4.865 1.728 ( 1.913 -1.875 4.062) 4.865 1.825 ( 0.278 -3.060 -2.172) 3.763 1.825 ( 0.278 -3.060 2.172) 3.763 1.898 ( 1.151 1.085 -3.454) 3.799 1.898 ( 1.151 1.085 3.454) 3.799 1.939 ( -3.547 -0.159 -2.139) 4.145 1.939 ( -3.547 -0.159 2.139) 4.145 1.979 ( 1.091 -3.363 -3.238) 4.794 1.979 ( 1.091 -3.363 3.238) 4.794 2.124 ( -4.114 -1.910 -4.606) 6.464 2.124 ( -4.114 -1.910 4.606) 6.464 2.187 ( -1.691 -0.302 -2.258) 2.837 2.187 ( -1.691 -0.302 2.258) 2.837 2.243 ( -4.800 -3.403 -5.363) 7.961 2.243 ( -4.800 -3.403 5.363) 7.961 2.284 ( -0.345 1.069 -3.286) 3.473 2.284 ( -0.345 1.069 3.286) 3.473 2.351 ( -2.087 1.931 -2.800) 3.990 2.351 ( -2.087 1.931 2.800) 3.990 2.383 ( -2.144 0.590 -2.393) 3.267 2.383 ( -2.144 0.590 2.393) 3.267 2.466 ( -0.426 -2.909 -6.643) 7.264 2.466 ( -0.426 -2.909 6.643) 7.264 2.522 ( 0.994 -0.421 -2.660) 2.871 2.522 ( 0.994 -0.421 2.660) 2.871 2.583 ( -2.129 -2.151 -1.519) 3.387 2.583 ( -2.129 -2.151 1.519) 3.387 2.678 ( 1.892 -0.338 -1.728) 2.585 2.678 ( 1.892 -0.338 1.728) 2.585 2.737 ( -0.568 -1.685 -1.088) 2.085 2.737 ( -0.568 -1.685 1.088) 2.085 2.818 ( 0.713 -3.801 -1.269) 4.070 2.818 ( 0.713 -3.801 1.269) 4.070 2.855 ( -1.497 1.482 -2.017) 2.917 2.855 ( -1.497 1.482 2.017) 2.917 2.991 ( 1.768 -0.585 -2.018) 2.747 2.991 ( 1.768 -0.585 2.018) 2.747 3.015 ( 2.300 -2.161 -1.270) 3.402 3.015 ( 2.300 -2.161 1.270) 3.402 3.055 ( 0.243 -2.736 -1.186) 2.992 3.055 ( 0.243 -2.736 1.186) 2.992 3.177 ( -0.781 -1.274 -1.822) 2.357 3.177 ( -0.781 -1.274 1.822) 2.357 3.276 ( 5.125 -0.305 -1.217) 5.277 3.276 ( 5.125 -0.305 1.217) 5.277 3.360 ( 0.108 0.556 -3.256) 3.305 3.360 ( 0.108 0.556 3.256) 3.305 3.854 ( -1.006 -0.652 -0.417) 1.269 3.854 ( -1.006 -0.652 0.417) 1.269 4.232 ( 1.124 0.369 -0.325) 1.227 4.232 ( 1.124 0.369 0.325) 1.227 7.658 ( 0.328 -0.533 -0.287) 0.688 7.658 ( 0.328 -0.533 0.287) 0.688 7.899 ( 2.027 -0.744 -1.628) 2.704 7.899 ( 2.027 -0.744 1.628) 2.704 7.957 ( -0.849 0.639 -1.539) 1.870 7.957 ( -0.849 0.639 1.539) 1.870 8.089 ( 0.850 2.489 -4.050) 4.829 8.089 ( 0.850 2.489 4.050) 4.829 8.539 ( -0.211 1.189 -2.218) 2.526 8.539 ( -0.211 1.189 2.218) 2.526 8.652 ( -1.024 -0.521 -0.746) 1.370 8.652 ( -1.024 -0.521 0.746) 1.370 ======================= Grid point 142 (45/48) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 5.127 -6.926 -4.557) 9.748 1.063 ( 5.127 -6.926 4.557) 9.748 1.110 ( -0.796 -4.084 -4.956) 6.471 1.110 ( -0.796 -4.084 4.956) 6.471 1.208 ( 5.708 -4.239 -3.699) 8.015 1.208 ( 5.708 -4.239 3.699) 8.015 1.319 ( -8.451 -3.087 -2.709) 9.396 1.319 ( -8.451 -3.087 2.709) 9.396 1.350 ( 4.010 -6.638 -4.355) 8.895 1.350 ( 4.010 -6.638 4.355) 8.895 1.422 ( -5.461 -3.999 -4.159) 7.944 1.422 ( -5.461 -3.999 4.159) 7.944 1.578 ( 3.659 -4.088 -6.253) 8.318 1.578 ( 3.659 -4.088 6.253) 8.318 1.614 ( 1.165 -3.371 -0.452) 3.595 1.614 ( 1.165 -3.371 0.452) 3.595 1.662 ( -2.483 -0.473 -3.145) 4.035 1.662 ( -2.483 -0.473 3.145) 4.035 1.751 ( 2.485 -5.600 -1.059) 6.217 1.751 ( 2.485 -5.600 1.059) 6.217 1.799 ( -0.043 -4.403 -0.743) 4.465 1.799 ( -0.043 -4.403 0.743) 4.465 1.877 ( 0.546 -1.022 -2.788) 3.019 1.877 ( 0.546 -1.022 2.788) 3.019 1.908 ( -2.648 -1.666 -1.750) 3.584 1.908 ( -2.648 -1.666 1.750) 3.584 1.990 ( 3.527 -5.704 -2.270) 7.080 1.990 ( 3.527 -5.704 2.270) 7.080 2.053 ( 0.472 -0.894 -1.544) 1.845 2.053 ( 0.472 -0.894 1.544) 1.845 2.097 ( -2.181 -0.598 -2.998) 3.755 2.097 ( -2.181 -0.598 2.998) 3.755 2.193 ( -1.427 -1.010 -2.392) 2.963 2.193 ( -1.427 -1.010 2.392) 2.963 2.282 ( 0.218 -0.501 -2.077) 2.148 2.282 ( 0.218 -0.501 2.077) 2.148 2.306 ( -0.842 -1.054 -1.702) 2.172 2.306 ( -0.842 -1.054 1.702) 2.172 2.342 ( -0.232 -4.922 -2.222) 5.406 2.342 ( -0.232 -4.922 2.222) 5.406 2.392 ( -2.689 -3.427 -2.940) 5.255 2.392 ( -2.689 -3.427 2.940) 5.255 2.537 ( 0.546 -3.888 -2.145) 4.474 2.537 ( 0.546 -3.888 2.145) 4.474 2.571 ( 1.363 -3.123 -0.157) 3.411 2.571 ( 1.363 -3.123 0.157) 3.411 2.631 ( -0.765 -2.801 -1.672) 3.351 2.631 ( -0.765 -2.801 1.672) 3.351 2.654 ( -0.687 1.220 -2.898) 3.219 2.654 ( -0.687 1.220 2.898) 3.219 2.776 ( 1.300 -0.867 -2.414) 2.876 2.776 ( 1.300 -0.867 2.414) 2.876 2.814 ( -2.216 0.843 -2.383) 3.362 2.814 ( -2.216 0.843 2.383) 3.362 2.894 ( 1.461 -1.800 -1.628) 2.833 2.894 ( 1.461 -1.800 1.628) 2.833 2.960 ( -1.310 2.846 -2.474) 3.992 2.960 ( -1.310 2.846 2.474) 3.992 3.098 ( 2.528 -3.199 -0.671) 4.132 3.098 ( 2.528 -3.199 0.671) 4.132 3.118 ( -0.073 -3.300 -0.203) 3.307 3.118 ( -0.073 -3.300 0.203) 3.307 3.181 ( -2.186 -0.773 -0.440) 2.360 3.181 ( -2.186 -0.773 0.440) 2.360 3.312 ( 3.292 0.838 -0.809) 3.492 3.312 ( 3.292 0.838 0.809) 3.492 3.348 ( -0.282 0.107 -1.749) 1.775 3.348 ( -0.282 0.107 1.749) 1.775 3.863 ( -0.233 -0.485 -0.539) 0.762 3.863 ( -0.233 -0.485 0.539) 0.762 4.225 ( 0.393 0.840 -0.147) 0.939 4.225 ( 0.393 0.840 0.147) 0.939 7.670 ( 0.087 -0.525 -0.244) 0.585 7.670 ( 0.087 -0.525 0.244) 0.585 7.917 ( 0.351 0.327 -2.246) 2.297 7.917 ( 0.351 0.327 2.246) 2.297 7.945 ( 0.194 -0.099 -1.756) 1.770 7.945 ( 0.194 -0.099 1.756) 1.770 8.036 ( 0.117 2.660 -2.383) 3.574 8.036 ( 0.117 2.660 2.383) 3.574 8.509 ( -0.104 1.447 -1.330) 1.968 8.509 ( -0.104 1.447 1.330) 1.968 8.664 ( -0.275 -0.957 -0.417) 1.080 8.664 ( -0.275 -0.957 0.417) 1.080 ======================= Grid point 144 (46/48) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 2.998 -6.683) 7.325 1.104 ( 0.000 2.998 6.683) 7.325 1.224 ( -0.000 -4.709 -3.891) 6.109 1.224 ( -0.000 -4.709 3.891) 6.109 1.297 ( -0.000 -0.429 -1.896) 1.943 1.297 ( -0.000 -0.429 1.896) 1.943 1.343 ( -0.000 -3.958 -6.221) 7.373 1.343 ( -0.000 -3.958 6.221) 7.373 1.431 ( -0.000 -0.512 -8.047) 8.063 1.431 ( -0.000 -0.512 8.047) 8.063 1.505 ( -0.000 -5.237 -6.379) 8.254 1.505 ( -0.000 -5.237 6.379) 8.254 1.602 ( 0.000 2.146 -4.088) 4.617 1.602 ( 0.000 2.146 4.088) 4.617 1.663 ( -0.000 -0.729 -0.283) 0.782 1.663 ( -0.000 -0.729 0.283) 0.782 1.702 ( -0.000 -4.163 -4.520) 6.145 1.702 ( -0.000 -4.163 4.520) 6.145 1.811 ( 0.000 1.422 -1.477) 2.050 1.811 ( 0.000 1.422 1.477) 2.050 1.870 ( -0.000 -0.516 -1.334) 1.431 1.870 ( -0.000 -0.516 1.334) 1.431 1.885 ( -0.000 -3.229 -2.782) 4.263 1.885 ( -0.000 -3.229 2.782) 4.263 1.951 ( -0.000 -2.792 -3.996) 4.874 1.951 ( -0.000 -2.792 3.996) 4.874 2.032 ( 0.000 0.730 -3.821) 3.890 2.032 ( 0.000 0.730 3.821) 3.890 2.105 ( -0.000 -3.784 -3.248) 4.987 2.105 ( -0.000 -3.784 3.248) 4.987 2.141 ( -0.000 -1.911 -1.553) 2.463 2.141 ( -0.000 -1.911 1.553) 2.463 2.200 ( 0.000 0.053 -0.245) 0.251 2.200 ( 0.000 0.053 0.245) 0.251 2.294 ( 0.000 1.169 -1.720) 2.079 2.294 ( 0.000 1.169 1.720) 2.079 2.301 ( -0.000 -0.576 -2.765) 2.824 2.301 ( -0.000 -0.576 2.765) 2.824 2.445 ( -0.000 -2.611 -3.907) 4.699 2.445 ( -0.000 -2.611 3.907) 4.699 2.470 ( -0.000 -3.530 -1.201) 3.729 2.470 ( -0.000 -3.530 1.201) 3.729 2.525 ( 0.000 2.505 -3.981) 4.704 2.525 ( 0.000 2.505 3.981) 4.704 2.645 ( -0.000 -2.759 -2.003) 3.409 2.645 ( -0.000 -2.759 2.003) 3.409 2.692 ( -0.000 -1.949 -0.675) 2.063 2.692 ( -0.000 -1.949 0.675) 2.063 2.699 ( -0.000 -4.035 -1.359) 4.258 2.699 ( -0.000 -4.035 1.359) 4.258 2.739 ( 0.000 3.045 -1.595) 3.437 2.739 ( 0.000 3.045 1.595) 3.437 2.794 ( 0.000 0.644 -1.622) 1.745 2.794 ( 0.000 0.644 1.622) 1.745 2.924 ( -0.000 -1.825 -1.383) 2.290 2.924 ( -0.000 -1.825 1.383) 2.290 2.926 ( -0.000 -0.542 -2.064) 2.134 2.926 ( -0.000 -0.542 2.064) 2.134 3.146 ( -0.000 -0.181 -1.725) 1.735 3.146 ( -0.000 -0.181 1.725) 1.735 3.147 ( 0.000 1.048 -0.998) 1.447 3.147 ( 0.000 1.048 0.998) 1.447 3.212 ( -0.000 -3.163 -0.442) 3.194 3.212 ( -0.000 -3.163 0.442) 3.194 3.276 ( 0.000 3.041 -0.382) 3.065 3.276 ( 0.000 3.041 0.382) 3.065 3.346 ( 0.000 0.738 -0.911) 1.172 3.346 ( 0.000 0.738 0.911) 1.172 3.867 ( 0.000 0.027 -0.427) 0.428 3.867 ( 0.000 0.027 0.427) 0.428 4.209 ( 0.000 0.700 -0.176) 0.722 4.209 ( 0.000 0.700 0.176) 0.722 7.678 ( -0.000 -0.168 -0.082) 0.187 7.678 ( -0.000 -0.168 0.082) 0.187 7.900 ( 0.000 0.985 -2.233) 2.441 7.900 ( 0.000 0.985 2.233) 2.441 7.959 ( -0.000 -1.168 -2.305) 2.585 7.959 ( -0.000 -1.168 2.305) 2.585 7.993 ( 0.000 1.833 -2.582) 3.167 7.993 ( 0.000 1.833 2.582) 3.167 8.488 ( 0.000 0.524 -0.123) 0.538 8.488 ( 0.000 0.524 0.123) 0.538 8.680 ( -0.000 -0.620 -0.114) 0.630 8.680 ( -0.000 -0.620 0.114) 0.630 ======================= Grid point 156 (47/48) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 10.116 0.000 -6.919) 12.256 0.824 ( 10.116 0.000 6.919) 12.256 0.952 ( -8.128 -0.000 -3.746) 8.950 0.952 ( -8.128 -0.000 3.746) 8.950 1.109 ( 3.669 0.000 -12.058) 12.604 1.109 ( 3.669 0.000 12.058) 12.604 1.151 ( 6.645 0.000 -8.402) 10.712 1.151 ( 6.645 0.000 8.402) 10.712 1.270 ( 0.570 0.000 -7.350) 7.373 1.270 ( 0.570 0.000 7.350) 7.373 1.342 ( -6.513 -0.000 -3.916) 7.599 1.342 ( -6.513 -0.000 3.916) 7.599 1.470 ( 0.124 0.000 -6.778) 6.779 1.470 ( 0.124 0.000 6.778) 6.779 1.496 ( 5.764 0.000 -3.185) 6.585 1.496 ( 5.764 0.000 3.185) 6.585 1.525 ( 2.204 0.000 -6.964) 7.305 1.525 ( 2.204 0.000 6.964) 7.305 1.543 ( -1.695 -0.000 -1.174) 2.062 1.543 ( -1.695 -0.000 1.174) 2.062 1.712 ( 0.003 0.000 -6.833) 6.833 1.712 ( 0.003 0.000 6.833) 6.833 1.811 ( 4.297 0.000 -4.011) 5.878 1.811 ( 4.297 0.000 4.011) 5.878 1.900 ( -0.593 -0.000 -1.256) 1.389 1.900 ( -0.593 -0.000 1.256) 1.389 1.909 ( -5.334 -0.000 -0.275) 5.341 1.909 ( -5.334 -0.000 0.275) 5.341 1.968 ( 2.674 0.000 -5.091) 5.751 1.968 ( 2.674 0.000 5.091) 5.751 2.063 ( -5.541 -0.000 -4.249) 6.983 2.063 ( -5.541 -0.000 4.249) 6.983 2.141 ( -4.628 -0.000 -2.688) 5.352 2.141 ( -4.628 -0.000 2.688) 5.352 2.178 ( -1.184 -0.000 -3.051) 3.273 2.178 ( -1.184 -0.000 3.051) 3.273 2.316 ( 0.875 0.000 -1.859) 2.055 2.316 ( 0.875 0.000 1.859) 2.055 2.362 ( -2.223 -0.000 -1.031) 2.451 2.362 ( -2.223 -0.000 1.031) 2.451 2.403 ( 1.614 0.000 -7.441) 7.614 2.403 ( 1.614 0.000 7.441) 7.614 2.427 ( -1.198 -0.000 -7.240) 7.338 2.427 ( -1.198 -0.000 7.240) 7.338 2.531 ( 1.058 0.000 -2.275) 2.509 2.531 ( 1.058 0.000 2.275) 2.509 2.553 ( -2.086 -0.000 -2.074) 2.942 2.553 ( -2.086 -0.000 2.074) 2.942 2.678 ( 2.798 0.000 -0.474) 2.837 2.678 ( 2.798 0.000 0.474) 2.837 2.717 ( -0.722 -0.000 -4.620) 4.676 2.717 ( -0.722 -0.000 4.620) 4.676 2.764 ( -0.436 -0.000 -1.801) 1.853 2.764 ( -0.436 -0.000 1.801) 1.853 2.864 ( -1.665 -0.000 -2.032) 2.627 2.864 ( -1.665 -0.000 2.032) 2.627 2.991 ( 2.066 0.000 -2.165) 2.993 2.991 ( 2.066 0.000 2.165) 2.993 3.005 ( 1.835 0.000 -1.316) 2.258 3.005 ( 1.835 0.000 1.316) 2.258 3.028 ( -0.335 -0.000 -1.716) 1.748 3.028 ( -0.335 -0.000 1.716) 1.748 3.158 ( -0.642 -0.000 -2.180) 2.273 3.158 ( -0.642 -0.000 2.180) 2.273 3.310 ( 4.697 0.000 -2.397) 5.273 3.310 ( 4.697 0.000 2.397) 5.273 3.362 ( -1.273 -0.000 -2.965) 3.226 3.362 ( -1.273 -0.000 2.965) 3.226 3.838 ( -0.896 -0.000 -0.044) 0.897 3.838 ( -0.896 -0.000 0.044) 0.897 4.243 ( 0.729 0.000 -0.368) 0.816 4.243 ( 0.729 0.000 0.368) 0.816 7.654 ( 0.279 0.000 -0.282) 0.397 7.654 ( 0.279 0.000 0.282) 0.397 7.908 ( 2.271 0.000 -2.519) 3.391 7.908 ( 2.271 0.000 2.519) 3.391 7.952 ( -1.853 -0.000 -0.856) 2.041 7.952 ( -1.853 -0.000 0.856) 2.041 8.124 ( 0.716 0.000 -6.508) 6.548 8.124 ( 0.716 0.000 6.508) 6.548 8.551 ( -0.112 -0.000 -2.286) 2.289 8.551 ( -0.112 -0.000 2.286) 2.289 8.640 ( -0.645 -0.000 -0.441) 0.782 8.640 ( -0.645 -0.000 0.441) 0.782 ======================= Grid point 158 (48/48) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -0.000 -5.873 -5.758) 8.225 0.960 ( -0.000 -5.873 5.758) 8.225 0.968 ( -0.000 -6.741 -6.854) 9.614 0.968 ( -0.000 -6.741 6.854) 9.614 1.173 ( -0.000 -4.660 -9.321) 10.421 1.173 ( -0.000 -4.660 9.321) 10.421 1.197 ( -0.000 -2.123 -10.103) 10.324 1.197 ( -0.000 -2.123 10.103) 10.324 1.291 ( -0.000 -1.396 -2.115) 2.535 1.291 ( -0.000 -1.396 2.115) 2.535 1.329 ( -0.000 -2.430 -5.226) 5.763 1.329 ( -0.000 -2.430 5.226) 5.763 1.506 ( -0.000 -3.491 -7.400) 8.183 1.506 ( -0.000 -3.491 7.400) 8.183 1.545 ( -0.000 -2.742 -1.578) 3.164 1.545 ( -0.000 -2.742 1.578) 3.164 1.594 ( -0.000 -4.819 -1.572) 5.069 1.594 ( -0.000 -4.819 1.572) 5.069 1.618 ( -0.000 -7.140 -1.138) 7.230 1.618 ( -0.000 -7.140 1.138) 7.230 1.749 ( -0.000 -2.134 -4.035) 4.565 1.749 ( -0.000 -2.134 4.035) 4.565 1.840 ( -0.000 -2.295 -1.122) 2.555 1.840 ( -0.000 -2.295 1.122) 2.555 1.879 ( -0.000 -0.229 -1.964) 1.977 1.879 ( -0.000 -0.229 1.964) 1.977 1.937 ( -0.000 -0.419 -0.917) 1.008 1.937 ( -0.000 -0.419 0.917) 1.008 2.010 ( -0.000 -5.101 -3.160) 6.001 2.010 ( -0.000 -5.101 3.160) 6.001 2.043 ( -0.000 -0.862 -6.320) 6.379 2.043 ( -0.000 -0.862 6.320) 6.379 2.177 ( -0.000 -0.286 -3.502) 3.513 2.177 ( -0.000 -0.286 3.502) 3.513 2.209 ( -0.000 -5.896 -5.305) 7.932 2.209 ( -0.000 -5.896 5.305) 7.932 2.290 ( 0.000 1.629 -3.916) 4.241 2.290 ( 0.000 1.629 3.916) 4.241 2.332 ( 0.000 1.570 -1.044) 1.885 2.332 ( 0.000 1.570 1.044) 1.885 2.370 ( 0.000 2.127 -5.535) 5.929 2.370 ( 0.000 2.127 5.535) 5.929 2.462 ( -0.000 -3.420 -7.469) 8.214 2.462 ( -0.000 -3.420 7.469) 8.214 2.535 ( -0.000 -0.131 -3.353) 3.356 2.535 ( -0.000 -0.131 3.353) 3.356 2.563 ( -0.000 -2.540 -2.029) 3.251 2.563 ( -0.000 -2.540 2.029) 3.251 2.699 ( 0.000 1.551 -3.793) 4.098 2.699 ( 0.000 1.551 3.793) 4.098 2.726 ( -0.000 -2.854 -3.077) 4.197 2.726 ( -0.000 -2.854 3.077) 4.197 2.828 ( -0.000 -4.723 -1.601) 4.987 2.828 ( -0.000 -4.723 1.601) 4.987 2.840 ( 0.000 1.550 -3.571) 3.893 2.840 ( 0.000 1.550 3.571) 3.893 3.005 ( 0.000 1.048 -0.918) 1.393 3.005 ( 0.000 1.048 0.918) 1.393 3.038 ( -0.000 -3.184 -1.890) 3.703 3.038 ( -0.000 -3.184 1.890) 3.703 3.053 ( -0.000 -2.699 -3.340) 4.294 3.053 ( -0.000 -2.699 3.340) 4.294 3.164 ( -0.000 -0.506 -1.536) 1.617 3.164 ( -0.000 -0.506 1.536) 1.617 3.331 ( -0.000 -0.373 -2.471) 2.499 3.331 ( -0.000 -0.373 2.471) 2.499 3.348 ( 0.000 0.622 -1.657) 1.770 3.348 ( 0.000 0.622 1.657) 1.770 3.846 ( -0.000 -0.908 -0.445) 1.012 3.846 ( -0.000 -0.908 0.445) 1.012 4.241 ( 0.000 0.491 -0.286) 0.569 4.241 ( 0.000 0.491 0.286) 0.569 7.660 ( -0.000 -0.461 -0.286) 0.542 7.660 ( -0.000 -0.461 0.286) 0.542 7.920 ( -0.000 -0.164 -2.938) 2.942 7.920 ( -0.000 -0.164 2.938) 2.942 7.943 ( 0.000 0.003 -1.503) 1.503 7.943 ( 0.000 0.003 1.503) 1.503 8.096 ( 0.000 2.728 -5.213) 5.884 8.096 ( 0.000 2.728 5.213) 5.884 8.538 ( 0.000 1.189 -2.086) 2.401 8.538 ( 0.000 1.189 2.086) 2.401 8.645 ( -0.000 -0.676 -0.537) 0.863 8.645 ( -0.000 -0.676 0.537) 0.863 =================== 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 3/16464 10.0 111.137 88.614 92.605 0.000 0.000 0.000 3/16464 20.0 17.392 17.742 15.238 0.000 0.000 0.000 3/16464 30.0 7.678 8.333 6.952 0.000 0.000 0.000 3/16464 40.0 4.846 5.425 4.485 0.000 0.000 0.000 3/16464 50.0 3.567 4.062 3.345 0.000 0.000 0.000 3/16464 60.0 2.841 3.272 2.688 0.000 0.000 0.000 3/16464 70.0 2.371 2.753 2.261 0.000 0.000 0.000 3/16464 80.0 2.040 2.384 1.958 0.000 0.000 0.000 3/16464 90.0 1.793 2.108 1.732 0.000 0.000 0.000 3/16464 100.0 1.602 1.891 1.556 0.000 0.000 0.000 3/16464 110.0 1.448 1.717 1.414 0.000 0.000 0.000 3/16464 120.0 1.322 1.573 1.296 0.000 0.000 0.000 3/16464 130.0 1.217 1.452 1.198 0.000 0.000 0.000 3/16464 140.0 1.127 1.349 1.114 0.000 0.000 0.000 3/16464 150.0 1.050 1.259 1.041 0.000 0.000 0.000 3/16464 160.0 0.983 1.181 0.977 0.000 0.000 0.000 3/16464 170.0 0.924 1.113 0.920 0.000 0.000 0.000 3/16464 180.0 0.872 1.051 0.870 0.000 0.000 0.000 3/16464 190.0 0.825 0.997 0.825 0.000 0.000 0.000 3/16464 200.0 0.784 0.947 0.785 0.000 0.000 0.000 3/16464 210.0 0.746 0.903 0.748 0.000 0.000 0.000 3/16464 220.0 0.712 0.862 0.715 0.000 0.000 0.000 3/16464 230.0 0.680 0.825 0.684 0.000 0.000 0.000 3/16464 240.0 0.652 0.791 0.656 0.000 0.000 0.000 3/16464 250.0 0.626 0.760 0.630 0.000 0.000 0.000 3/16464 260.0 0.601 0.731 0.606 0.000 0.000 0.000 3/16464 270.0 0.579 0.704 0.584 0.000 0.000 0.000 3/16464 280.0 0.558 0.679 0.564 0.000 0.000 0.000 3/16464 290.0 0.539 0.656 0.544 0.000 0.000 0.000 3/16464 300.0 0.521 0.634 0.526 0.000 0.000 0.000 3/16464 310.0 0.504 0.614 0.510 0.000 0.000 0.000 3/16464 320.0 0.488 0.595 0.494 0.000 0.000 0.000 3/16464 330.0 0.473 0.577 0.479 0.000 0.000 0.000 3/16464 340.0 0.459 0.560 0.465 0.000 0.000 0.000 3/16464 350.0 0.446 0.544 0.452 0.000 0.000 0.000 3/16464 360.0 0.434 0.529 0.440 0.000 0.000 0.000 3/16464 370.0 0.422 0.515 0.428 0.000 0.000 0.000 3/16464 380.0 0.411 0.501 0.417 0.000 0.000 0.000 3/16464 390.0 0.400 0.489 0.406 0.000 0.000 0.000 3/16464 400.0 0.390 0.476 0.396 0.000 0.000 0.000 3/16464 410.0 0.381 0.465 0.386 0.000 0.000 0.000 3/16464 420.0 0.372 0.454 0.377 0.000 0.000 0.000 3/16464 430.0 0.363 0.443 0.369 0.000 0.000 0.000 3/16464 440.0 0.355 0.433 0.360 0.000 0.000 0.000 3/16464 450.0 0.347 0.424 0.352 0.000 0.000 0.000 3/16464 460.0 0.339 0.415 0.345 0.000 0.000 0.000 3/16464 470.0 0.332 0.406 0.337 0.000 0.000 0.000 3/16464 480.0 0.325 0.397 0.330 0.000 0.000 0.000 3/16464 490.0 0.318 0.389 0.324 0.000 0.000 0.000 3/16464 500.0 0.312 0.381 0.317 0.000 0.000 0.000 3/16464 510.0 0.306 0.374 0.311 0.000 0.000 0.000 3/16464 520.0 0.300 0.367 0.305 0.000 0.000 0.000 3/16464 530.0 0.294 0.360 0.299 0.000 0.000 0.000 3/16464 540.0 0.289 0.353 0.294 0.000 0.000 0.000 3/16464 550.0 0.284 0.347 0.289 0.000 0.000 0.000 3/16464 560.0 0.279 0.341 0.283 0.000 0.000 0.000 3/16464 570.0 0.274 0.335 0.278 0.000 0.000 0.000 3/16464 580.0 0.269 0.329 0.274 0.000 0.000 0.000 3/16464 590.0 0.264 0.323 0.269 0.000 0.000 0.000 3/16464 600.0 0.260 0.318 0.265 0.000 0.000 0.000 3/16464 610.0 0.256 0.313 0.260 0.000 0.000 0.000 3/16464 620.0 0.252 0.308 0.256 0.000 0.000 0.000 3/16464 630.0 0.248 0.303 0.252 0.000 0.000 0.000 3/16464 640.0 0.244 0.298 0.248 0.000 0.000 0.000 3/16464 650.0 0.240 0.294 0.244 0.000 0.000 0.000 3/16464 660.0 0.236 0.289 0.241 0.000 0.000 0.000 3/16464 670.0 0.233 0.285 0.237 0.000 0.000 0.000 3/16464 680.0 0.229 0.281 0.234 0.000 0.000 0.000 3/16464 690.0 0.226 0.277 0.230 0.000 0.000 0.000 3/16464 700.0 0.223 0.273 0.227 0.000 0.000 0.000 3/16464 710.0 0.220 0.269 0.224 0.000 0.000 0.000 3/16464 720.0 0.217 0.265 0.221 0.000 0.000 0.000 3/16464 730.0 0.214 0.262 0.218 0.000 0.000 0.000 3/16464 740.0 0.211 0.258 0.215 0.000 0.000 0.000 3/16464 750.0 0.208 0.255 0.212 0.000 0.000 0.000 3/16464 760.0 0.205 0.251 0.209 0.000 0.000 0.000 3/16464 770.0 0.203 0.248 0.206 0.000 0.000 0.000 3/16464 780.0 0.200 0.245 0.204 0.000 0.000 0.000 3/16464 790.0 0.197 0.242 0.201 0.000 0.000 0.000 3/16464 800.0 0.195 0.239 0.199 0.000 0.000 0.000 3/16464 810.0 0.193 0.236 0.196 0.000 0.000 0.000 3/16464 820.0 0.190 0.233 0.194 0.000 0.000 0.000 3/16464 830.0 0.188 0.230 0.191 0.000 0.000 0.000 3/16464 840.0 0.186 0.227 0.189 0.000 0.000 0.000 3/16464 850.0 0.184 0.225 0.187 0.000 0.000 0.000 3/16464 860.0 0.181 0.222 0.185 0.000 0.000 0.000 3/16464 870.0 0.179 0.220 0.183 0.000 0.000 0.000 3/16464 880.0 0.177 0.217 0.181 0.000 0.000 0.000 3/16464 890.0 0.175 0.215 0.179 0.000 0.000 0.000 3/16464 900.0 0.173 0.212 0.177 0.000 0.000 0.000 3/16464 910.0 0.171 0.210 0.175 0.000 0.000 0.000 3/16464 920.0 0.170 0.208 0.173 0.000 0.000 0.000 3/16464 930.0 0.168 0.205 0.171 0.000 0.000 0.000 3/16464 940.0 0.166 0.203 0.169 0.000 0.000 0.000 3/16464 950.0 0.164 0.201 0.167 0.000 0.000 0.000 3/16464 960.0 0.163 0.199 0.166 0.000 0.000 0.000 3/16464 970.0 0.161 0.197 0.164 0.000 0.000 0.000 3/16464 980.0 0.159 0.195 0.162 0.000 0.000 0.000 3/16464 990.0 0.158 0.193 0.161 0.000 0.000 0.000 3/16464 1000.0 0.156 0.191 0.159 0.000 0.000 0.000 3/16464 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:37:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|