----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:15:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456810300000000 Atomic positions (fractional): *1 Li 0.06185003909605 0.09803838993692 0.23194571696941 6.941 2 Li 0.56185003909605 0.40196161006308 0.26805428303058 6.941 *3 Li 0.31515133933141 0.96095994345333 0.50000000000000 6.941 4 Li 0.56185003909605 0.40196161006308 0.73194571696942 6.941 *5 Li 0.30153392661589 0.25220044589724 0.24654931412752 6.941 6 Li 0.93814996090395 0.90196161006307 0.76805428303058 6.941 7 Li 0.68484866066859 0.03904005654667 0.50000000000000 6.941 8 Li 0.30153392661589 0.25220044589724 0.75345068587248 6.941 9 Li 0.69846607338411 0.74779955410276 0.75345068587248 6.941 10 Li 0.43814996090395 0.59803838993693 0.26805428303058 6.941 11 Li 0.06185003909605 0.09803838993692 0.76805428303058 6.941 12 Li 0.19846607338411 0.75220044589724 0.25345068587248 6.941 13 Li 0.80153392661589 0.24779955410276 0.25345068587248 6.941 14 Li 0.69846607338411 0.74779955410276 0.24654931412752 6.941 15 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 16 Li 0.93814996090395 0.90196161006307 0.23194571696941 6.941 17 Li 0.80153392661589 0.24779955410276 0.74654931412752 6.941 18 Li 0.19846607338411 0.75220044589724 0.74654931412752 6.941 19 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 20 Li 0.43814996090395 0.59803838993693 0.73194571696942 6.941 *21 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 22 Sb 0.80395375009785 0.50593819670512 0.50000000000000 121.760 23 Sb 0.19604624990215 0.49406180329488 0.50000000000000 121.760 24 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 *25 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 *26 S 0.67175968812282 0.56695228204964 0.75119849049001 32.065 27 S 0.17175968812282 0.93304771795036 0.25119849049001 32.065 28 S 0.17175968812282 0.93304771795036 0.74880150950999 32.065 29 S 0.70089323864407 0.33876157012003 0.50000000000000 32.065 30 S 0.32824031187718 0.43304771795036 0.75119849049001 32.065 31 S 0.29910676135593 0.66123842987997 0.50000000000000 32.065 32 S 0.82824031187718 0.06695228204964 0.74880150950999 32.065 33 S 0.82824031187718 0.06695228204964 0.25119849049001 32.065 34 S 0.67175968812282 0.56695228204964 0.24880150950999 32.065 35 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 36 S 0.32824031187718 0.43304771795036 0.24880150950999 32.065 *37 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 *38 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 39 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 40 I 0.07112642965590 0.24164519521615 0.50000000000000 126.904 41 I 0.92887357034410 0.75835480478385 0.50000000000000 126.904 42 I 0.55655839533997 0.85712293708098 0.50000000000000 126.904 43 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 44 I 0.44344160466003 0.14287706291902 0.50000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456810300000000 Atomic positions (fractional): *1 Li 0.06185003909605 0.09803838993692 0.23194571696941 6.941 > 1 2 Li 0.56185003909605 0.40196161006308 0.26805428303058 6.941 > 2 *3 Li 0.31515133933141 0.96095994345333 0.50000000000000 6.941 > 3 4 Li 0.56185003909605 0.40196161006308 0.73194571696942 6.941 > 4 *5 Li 0.30153392661589 0.25220044589724 0.24654931412752 6.941 > 5 6 Li 0.93814996090395 0.90196161006307 0.76805428303058 6.941 > 6 7 Li 0.68484866066859 0.03904005654667 0.50000000000000 6.941 > 7 8 Li 0.30153392661589 0.25220044589724 0.75345068587248 6.941 > 8 9 Li 0.69846607338411 0.74779955410276 0.75345068587248 6.941 > 9 10 Li 0.43814996090395 0.59803838993693 0.26805428303058 6.941 > 10 11 Li 0.06185003909605 0.09803838993692 0.76805428303058 6.941 > 11 12 Li 0.19846607338411 0.75220044589724 0.25345068587248 6.941 > 12 13 Li 0.80153392661589 0.24779955410276 0.25345068587248 6.941 > 13 14 Li 0.69846607338411 0.74779955410276 0.24654931412752 6.941 > 14 15 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 > 15 16 Li 0.93814996090395 0.90196161006307 0.23194571696941 6.941 > 16 17 Li 0.80153392661589 0.24779955410276 0.74654931412752 6.941 > 17 18 Li 0.19846607338411 0.75220044589724 0.74654931412752 6.941 > 18 19 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 > 19 20 Li 0.43814996090395 0.59803838993693 0.73194571696942 6.941 > 20 *21 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 > 21 22 Sb 0.80395375009785 0.50593819670512 0.50000000000000 121.760 > 22 23 Sb 0.19604624990215 0.49406180329488 0.50000000000000 121.760 > 23 24 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 > 24 *25 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 > 25 *26 S 0.67175968812282 0.56695228204964 0.75119849049001 32.065 > 26 27 S 0.17175968812282 0.93304771795036 0.25119849049001 32.065 > 27 28 S 0.17175968812282 0.93304771795036 0.74880150950999 32.065 > 28 29 S 0.70089323864407 0.33876157012003 0.50000000000000 32.065 > 29 30 S 0.32824031187718 0.43304771795036 0.75119849049001 32.065 > 30 31 S 0.29910676135593 0.66123842987997 0.50000000000000 32.065 > 31 32 S 0.82824031187718 0.06695228204964 0.74880150950999 32.065 > 32 33 S 0.82824031187718 0.06695228204964 0.25119849049001 32.065 > 33 34 S 0.67175968812282 0.56695228204964 0.24880150950999 32.065 > 34 35 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 > 35 36 S 0.32824031187718 0.43304771795036 0.24880150950999 32.065 > 36 *37 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 > 37 *38 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 > 38 39 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 > 39 40 I 0.07112642965590 0.24164519521615 0.50000000000000 126.904 > 40 41 I 0.92887357034410 0.75835480478385 0.50000000000000 126.904 > 41 42 I 0.55655839533997 0.85712293708098 0.50000000000000 126.904 > 42 43 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 > 43 44 I 0.44344160466003 0.14287706291902 0.50000000000000 126.904 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 14.913620600000000 Atomic positions (fractional): *1 Li 0.06185003909605 0.09803838993692 0.11597285848471 6.941 > 1 2 Li 0.06185003909605 0.09803838993692 0.61597285848471 6.941 > 1 3 Li 0.56185003909605 0.40196161006308 0.13402714151529 6.941 > 2 4 Li 0.56185003909605 0.40196161006308 0.63402714151529 6.941 > 2 *5 Li 0.31515133933141 0.96095994345333 0.25000000000000 6.941 > 3 6 Li 0.31515133933141 0.96095994345333 0.75000000000000 6.941 > 3 7 Li 0.56185003909605 0.40196161006308 0.36597285848471 6.941 > 4 8 Li 0.56185003909605 0.40196161006308 0.86597285848471 6.941 > 4 *9 Li 0.30153392661589 0.25220044589724 0.12327465706376 6.941 > 5 10 Li 0.30153392661589 0.25220044589724 0.62327465706376 6.941 > 5 11 Li 0.93814996090395 0.90196161006307 0.38402714151529 6.941 > 6 12 Li 0.93814996090395 0.90196161006307 0.88402714151529 6.941 > 6 13 Li 0.68484866066859 0.03904005654667 0.25000000000000 6.941 > 7 14 Li 0.68484866066859 0.03904005654667 0.75000000000000 6.941 > 7 15 Li 0.30153392661589 0.25220044589724 0.37672534293624 6.941 > 8 16 Li 0.30153392661589 0.25220044589724 0.87672534293624 6.941 > 8 17 Li 0.69846607338411 0.74779955410276 0.37672534293624 6.941 > 9 18 Li 0.69846607338411 0.74779955410276 0.87672534293624 6.941 > 9 19 Li 0.43814996090395 0.59803838993693 0.13402714151529 6.941 > 10 20 Li 0.43814996090395 0.59803838993693 0.63402714151529 6.941 > 10 21 Li 0.06185003909605 0.09803838993692 0.38402714151529 6.941 > 11 22 Li 0.06185003909605 0.09803838993692 0.88402714151529 6.941 > 11 23 Li 0.19846607338411 0.75220044589724 0.12672534293624 6.941 > 12 24 Li 0.19846607338411 0.75220044589724 0.62672534293624 6.941 > 12 25 Li 0.80153392661589 0.24779955410276 0.12672534293624 6.941 > 13 26 Li 0.80153392661589 0.24779955410276 0.62672534293624 6.941 > 13 27 Li 0.69846607338411 0.74779955410276 0.12327465706376 6.941 > 14 28 Li 0.69846607338411 0.74779955410276 0.62327465706376 6.941 > 14 29 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 > 15 30 Li 0.18484866066859 0.46095994345333 0.50000000000000 6.941 > 15 31 Li 0.93814996090395 0.90196161006307 0.11597285848471 6.941 > 16 32 Li 0.93814996090395 0.90196161006307 0.61597285848471 6.941 > 16 33 Li 0.80153392661589 0.24779955410276 0.37327465706376 6.941 > 17 34 Li 0.80153392661589 0.24779955410276 0.87327465706376 6.941 > 17 35 Li 0.19846607338411 0.75220044589724 0.37327465706376 6.941 > 18 36 Li 0.19846607338411 0.75220044589724 0.87327465706376 6.941 > 18 37 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 > 19 38 Li 0.81515133933141 0.53904005654667 0.50000000000000 6.941 > 19 39 Li 0.43814996090395 0.59803838993693 0.36597285848471 6.941 > 20 40 Li 0.43814996090395 0.59803838993693 0.86597285848471 6.941 > 20 *41 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 > 21 42 Sb 0.30395375009786 0.99406180329488 0.50000000000000 121.760 > 21 43 Sb 0.80395375009785 0.50593819670512 0.25000000000000 121.760 > 22 44 Sb 0.80395375009785 0.50593819670512 0.75000000000000 121.760 > 22 45 Sb 0.19604624990215 0.49406180329488 0.25000000000000 121.760 > 23 46 Sb 0.19604624990215 0.49406180329488 0.75000000000000 121.760 > 23 47 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 > 24 48 Sb 0.69604624990215 0.00593819670512 0.50000000000000 121.760 > 24 *49 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 > 25 50 S 0.79910676135593 0.83876157012003 0.50000000000000 32.065 > 25 *51 S 0.67175968812282 0.56695228204964 0.37559924524501 32.065 > 26 52 S 0.67175968812282 0.56695228204964 0.87559924524501 32.065 > 26 53 S 0.17175968812282 0.93304771795036 0.12559924524501 32.065 > 27 54 S 0.17175968812282 0.93304771795036 0.62559924524501 32.065 > 27 55 S 0.17175968812282 0.93304771795036 0.37440075475499 32.065 > 28 56 S 0.17175968812282 0.93304771795036 0.87440075475499 32.065 > 28 57 S 0.70089323864407 0.33876157012003 0.25000000000000 32.065 > 29 58 S 0.70089323864407 0.33876157012003 0.75000000000000 32.065 > 29 59 S 0.32824031187718 0.43304771795036 0.37559924524501 32.065 > 30 60 S 0.32824031187718 0.43304771795036 0.87559924524501 32.065 > 30 61 S 0.29910676135593 0.66123842987997 0.25000000000000 32.065 > 31 62 S 0.29910676135593 0.66123842987997 0.75000000000000 32.065 > 31 63 S 0.82824031187718 0.06695228204964 0.37440075475499 32.065 > 32 64 S 0.82824031187718 0.06695228204964 0.87440075475499 32.065 > 32 65 S 0.82824031187718 0.06695228204964 0.12559924524501 32.065 > 33 66 S 0.82824031187718 0.06695228204964 0.62559924524501 32.065 > 33 67 S 0.67175968812282 0.56695228204964 0.12440075475499 32.065 > 34 68 S 0.67175968812282 0.56695228204964 0.62440075475499 32.065 > 34 69 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 > 35 70 S 0.20089323864407 0.16123842987997 0.50000000000000 32.065 > 35 71 S 0.32824031187718 0.43304771795036 0.12440075475499 32.065 > 36 72 S 0.32824031187718 0.43304771795036 0.62440075475499 32.065 > 36 *73 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 > 37 74 I 0.42887357034410 0.74164519521615 0.50000000000000 126.904 > 37 *75 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 > 38 76 I 0.94344160466003 0.35712293708098 0.50000000000000 126.904 > 38 77 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 > 39 78 I 0.05655839533997 0.64287706291902 0.50000000000000 126.904 > 39 79 I 0.07112642965590 0.24164519521615 0.25000000000000 126.904 > 40 80 I 0.07112642965590 0.24164519521615 0.75000000000000 126.904 > 40 81 I 0.92887357034410 0.75835480478385 0.25000000000000 126.904 > 41 82 I 0.92887357034410 0.75835480478385 0.75000000000000 126.904 > 41 83 I 0.55655839533997 0.85712293708098 0.25000000000000 126.904 > 42 84 I 0.55655839533997 0.85712293708098 0.75000000000000 126.904 > 42 85 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 > 43 86 I 0.57112642965590 0.25835480478385 0.50000000000000 126.904 > 43 87 I 0.44344160466003 0.14287706291902 0.25000000000000 126.904 > 44 88 I 0.44344160466003 0.14287706291902 0.75000000000000 126.904 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4319269 0.0000000 0.0000000 0.0000000 4.7947764 0.0000000 0.0000000 0.0000000 4.5914612 -------------------------- Born effective charges -------------------------- 1 Li 1.1990914 -0.0555415 -0.1354503 -0.0475538 0.9368859 0.2846375 0.0006222 0.2677568 0.8671554 2 Li 1.1990914 0.0555415 0.1354503 0.0475538 0.9368859 0.2846375 -0.0006222 0.2677568 0.8671554 3 Li 1.0331045 0.0076994 0.0000000 -0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 4 Li 1.1990914 0.0555415 -0.1354503 0.0475538 0.9368859 -0.2846375 0.0006222 -0.2677568 0.8671554 5 Li 1.1519362 -0.0792165 -0.1361507 0.1279109 1.1790737 0.1481298 -0.0775577 0.1371032 1.1443012 6 Li 1.1990914 -0.0555415 -0.1354503 -0.0475538 0.9368859 0.2846375 0.0006222 0.2677568 0.8671554 7 Li 1.0331045 0.0076994 0.0000000 -0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 8 Li 1.1519362 -0.0792165 0.1361507 0.1279109 1.1790737 -0.1481298 0.0775577 -0.1371032 1.1443012 9 Li 1.1519362 -0.0792165 -0.1361507 0.1279109 1.1790737 0.1481298 -0.0775577 0.1371032 1.1443012 10 Li 1.1990914 0.0555415 -0.1354503 0.0475538 0.9368859 -0.2846375 0.0006222 -0.2677568 0.8671554 11 Li 1.1990914 -0.0555415 0.1354503 -0.0475538 0.9368859 -0.2846375 -0.0006222 -0.2677568 0.8671554 12 Li 1.1519362 0.0792165 -0.1361507 -0.1279109 1.1790737 -0.1481298 -0.0775577 -0.1371032 1.1443012 13 Li 1.1519362 0.0792165 0.1361507 -0.1279109 1.1790737 0.1481298 0.0775577 0.1371032 1.1443012 14 Li 1.1519362 -0.0792165 0.1361507 0.1279109 1.1790737 -0.1481298 0.0775577 -0.1371032 1.1443012 15 Li 1.0331045 -0.0076994 0.0000000 0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 16 Li 1.1990914 -0.0555415 0.1354503 -0.0475538 0.9368859 -0.2846375 -0.0006222 -0.2677568 0.8671554 17 Li 1.1519362 0.0792165 -0.1361507 -0.1279109 1.1790737 -0.1481298 -0.0775577 -0.1371032 1.1443012 18 Li 1.1519362 0.0792165 0.1361507 -0.1279109 1.1790737 0.1481298 0.0775577 0.1371032 1.1443012 19 Li 1.0331045 -0.0076994 0.0000000 0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 20 Li 1.1990914 0.0555415 0.1354503 0.0475538 0.9368859 0.2846375 -0.0006222 0.2677568 0.8671554 21 Sb 1.4963313 -0.3606011 0.0000000 -0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 22 Sb 1.4963313 0.3606011 0.0000000 0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 23 Sb 1.4963313 0.3606011 0.0000000 0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 24 Sb 1.4963313 -0.3606011 0.0000000 -0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 25 S -1.3227563 0.1155476 0.0000000 0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 26 S -1.6738175 0.0384695 0.2970784 0.1864012 -1.5357983 -0.3633213 0.6020680 -0.3469185 -1.8602297 27 S -1.6738175 -0.0384695 0.2970784 -0.1864012 -1.5357983 0.3633213 0.6020680 0.3469185 -1.8602297 28 S -1.6738175 -0.0384695 -0.2970784 -0.1864012 -1.5357983 -0.3633213 -0.6020680 -0.3469185 -1.8602297 29 S -1.3227563 -0.1155476 0.0000000 -0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 30 S -1.6738175 0.0384695 -0.2970784 0.1864012 -1.5357983 0.3633213 -0.6020680 0.3469185 -1.8602297 31 S -1.3227563 -0.1155476 0.0000000 -0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 32 S -1.6738175 -0.0384695 0.2970784 -0.1864012 -1.5357983 0.3633213 0.6020680 0.3469185 -1.8602297 33 S -1.6738175 -0.0384695 -0.2970784 -0.1864012 -1.5357983 -0.3633213 -0.6020680 -0.3469185 -1.8602297 34 S -1.6738175 0.0384695 -0.2970784 0.1864012 -1.5357983 0.3633213 -0.6020680 0.3469185 -1.8602297 35 S -1.3227563 0.1155476 0.0000000 0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 36 S -1.6738175 0.0384695 0.2970784 0.1864012 -1.5357983 -0.3633213 0.6020680 -0.3469185 -1.8602297 37 I -1.3593891 0.3498741 0.0000000 0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 38 I -1.2017107 -0.1355684 0.0000000 -0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 39 I -1.2017107 -0.1355684 0.0000000 -0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 40 I -1.3593891 -0.3498741 0.0000000 -0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 41 I -1.3593891 -0.3498741 0.0000000 -0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 42 I -1.2017107 0.1355684 0.0000000 0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 43 I -1.3593891 0.3498741 0.0000000 0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 44 I -1.2017107 0.1355684 0.0000000 0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2302 Number of blocks in projector: 2302 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: 534 Use submatrix version of eigh solver. (1) Block: 534 / 534 (2) Block: 250 / 534 (2) 234 eigenvectors found. (2) Block: 534 / 534 (2) 268 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 300 Use standard eigh solver. Tree of FC basis block matrices: - (2302, 2250), data: False |-- (300, 292), data: True |-- (300, 292), data: True |-- (300, 292), data: True |-- (434, 428), data: True |-- (434, 428), data: True |-- (534, 518), data: False |-- (534, 518), data: False |-- (534, 16), data: (534, 32) @ (32, 16) |-- (284, 268), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.569 Solver_block: 200 / 720 - Time: 0.483 Solver_block: 300 / 720 - Time: 0.483 Solver_block: 400 / 720 - Time: 0.483 Solver_block: 500 / 720 - Time: 0.482 Solver_block: 600 / 720 - Time: 0.481 Solver_block: 700 / 720 - Time: 0.490 Solver_block: 720 / 720 - Time: 0.203 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.764 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2302 Number of blocks in projector: 2302 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: 534 Use submatrix version of eigh solver. (1) Block: 534 / 534 (2) Block: 250 / 534 (2) 234 eigenvectors found. (2) Block: 534 / 534 (2) 268 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 300 Use standard eigh solver. Tree of FC basis block matrices: - (2302, 2250), data: False |-- (300, 292), data: True |-- (300, 292), data: True |-- (300, 292), data: True |-- (434, 428), data: True |-- (434, 428), data: True |-- (534, 518), data: False |-- (534, 518), data: False |-- (534, 16), data: (534, 32) @ (32, 16) |-- (284, 268), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 15:16:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:16:18]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456810300000000 Atomic positions (fractional): 1 Li 0.06185003909605 0.09803838993692 0.23194571696941 6.941 2 Li 0.56185003909605 0.40196161006308 0.26805428303058 6.941 3 Li 0.31515133933141 0.96095994345333 0.50000000000000 6.941 4 Li 0.56185003909605 0.40196161006308 0.73194571696942 6.941 5 Li 0.30153392661589 0.25220044589724 0.24654931412752 6.941 6 Li 0.93814996090395 0.90196161006307 0.76805428303058 6.941 7 Li 0.68484866066859 0.03904005654667 0.50000000000000 6.941 8 Li 0.30153392661589 0.25220044589724 0.75345068587248 6.941 9 Li 0.69846607338411 0.74779955410276 0.75345068587248 6.941 10 Li 0.43814996090395 0.59803838993693 0.26805428303058 6.941 11 Li 0.06185003909605 0.09803838993692 0.76805428303058 6.941 12 Li 0.19846607338411 0.75220044589724 0.25345068587248 6.941 13 Li 0.80153392661589 0.24779955410276 0.25345068587248 6.941 14 Li 0.69846607338411 0.74779955410276 0.24654931412752 6.941 15 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 16 Li 0.93814996090395 0.90196161006307 0.23194571696941 6.941 17 Li 0.80153392661589 0.24779955410276 0.74654931412752 6.941 18 Li 0.19846607338411 0.75220044589724 0.74654931412752 6.941 19 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 20 Li 0.43814996090395 0.59803838993693 0.73194571696942 6.941 21 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 22 Sb 0.80395375009785 0.50593819670512 0.50000000000000 121.760 23 Sb 0.19604624990215 0.49406180329488 0.50000000000000 121.760 24 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 25 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 26 S 0.67175968812282 0.56695228204964 0.75119849049001 32.065 27 S 0.17175968812282 0.93304771795036 0.25119849049001 32.065 28 S 0.17175968812282 0.93304771795036 0.74880150950999 32.065 29 S 0.70089323864407 0.33876157012003 0.50000000000000 32.065 30 S 0.32824031187718 0.43304771795036 0.75119849049001 32.065 31 S 0.29910676135593 0.66123842987997 0.50000000000000 32.065 32 S 0.82824031187718 0.06695228204964 0.74880150950999 32.065 33 S 0.82824031187718 0.06695228204964 0.25119849049001 32.065 34 S 0.67175968812282 0.56695228204964 0.24880150950999 32.065 35 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 36 S 0.32824031187718 0.43304771795036 0.24880150950999 32.065 37 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 38 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 39 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 40 I 0.07112642965590 0.24164519521615 0.50000000000000 126.904 41 I 0.92887357034410 0.75835480478385 0.50000000000000 126.904 42 I 0.55655839533997 0.85712293708098 0.50000000000000 126.904 43 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 44 I 0.44344160466003 0.14287706291902 0.50000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 14.913620600000000 Atomic positions (fractional): 1 Li 0.06185003909605 0.09803838993692 0.11597285848471 6.941 > 1 2 Li 0.06185003909605 0.09803838993692 0.61597285848471 6.941 > 1 3 Li 0.56185003909605 0.40196161006308 0.13402714151529 6.941 > 3 4 Li 0.56185003909605 0.40196161006308 0.63402714151529 6.941 > 3 5 Li 0.31515133933141 0.96095994345333 0.25000000000000 6.941 > 5 6 Li 0.31515133933141 0.96095994345333 0.75000000000000 6.941 > 5 7 Li 0.56185003909605 0.40196161006308 0.36597285848471 6.941 > 7 8 Li 0.56185003909605 0.40196161006308 0.86597285848471 6.941 > 7 9 Li 0.30153392661589 0.25220044589724 0.12327465706376 6.941 > 9 10 Li 0.30153392661589 0.25220044589724 0.62327465706376 6.941 > 9 11 Li 0.93814996090395 0.90196161006307 0.38402714151529 6.941 > 11 12 Li 0.93814996090395 0.90196161006307 0.88402714151529 6.941 > 11 13 Li 0.68484866066859 0.03904005654667 0.25000000000000 6.941 > 13 14 Li 0.68484866066859 0.03904005654667 0.75000000000000 6.941 > 13 15 Li 0.30153392661589 0.25220044589724 0.37672534293624 6.941 > 15 16 Li 0.30153392661589 0.25220044589724 0.87672534293624 6.941 > 15 17 Li 0.69846607338411 0.74779955410276 0.37672534293624 6.941 > 17 18 Li 0.69846607338411 0.74779955410276 0.87672534293624 6.941 > 17 19 Li 0.43814996090395 0.59803838993693 0.13402714151529 6.941 > 19 20 Li 0.43814996090395 0.59803838993693 0.63402714151529 6.941 > 19 21 Li 0.06185003909605 0.09803838993692 0.38402714151529 6.941 > 21 22 Li 0.06185003909605 0.09803838993692 0.88402714151529 6.941 > 21 23 Li 0.19846607338411 0.75220044589724 0.12672534293624 6.941 > 23 24 Li 0.19846607338411 0.75220044589724 0.62672534293624 6.941 > 23 25 Li 0.80153392661589 0.24779955410276 0.12672534293624 6.941 > 25 26 Li 0.80153392661589 0.24779955410276 0.62672534293624 6.941 > 25 27 Li 0.69846607338411 0.74779955410276 0.12327465706376 6.941 > 27 28 Li 0.69846607338411 0.74779955410276 0.62327465706376 6.941 > 27 29 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 > 29 30 Li 0.18484866066859 0.46095994345333 0.50000000000000 6.941 > 29 31 Li 0.93814996090395 0.90196161006307 0.11597285848471 6.941 > 31 32 Li 0.93814996090395 0.90196161006307 0.61597285848471 6.941 > 31 33 Li 0.80153392661589 0.24779955410276 0.37327465706376 6.941 > 33 34 Li 0.80153392661589 0.24779955410276 0.87327465706376 6.941 > 33 35 Li 0.19846607338411 0.75220044589724 0.37327465706376 6.941 > 35 36 Li 0.19846607338411 0.75220044589724 0.87327465706376 6.941 > 35 37 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 > 37 38 Li 0.81515133933141 0.53904005654667 0.50000000000000 6.941 > 37 39 Li 0.43814996090395 0.59803838993693 0.36597285848471 6.941 > 39 40 Li 0.43814996090395 0.59803838993693 0.86597285848471 6.941 > 39 41 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 > 41 42 Sb 0.30395375009786 0.99406180329488 0.50000000000000 121.760 > 41 43 Sb 0.80395375009785 0.50593819670512 0.25000000000000 121.760 > 43 44 Sb 0.80395375009785 0.50593819670512 0.75000000000000 121.760 > 43 45 Sb 0.19604624990215 0.49406180329488 0.25000000000000 121.760 > 45 46 Sb 0.19604624990215 0.49406180329488 0.75000000000000 121.760 > 45 47 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 > 47 48 Sb 0.69604624990215 0.00593819670512 0.50000000000000 121.760 > 47 49 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 > 49 50 S 0.79910676135593 0.83876157012003 0.50000000000000 32.065 > 49 51 S 0.67175968812282 0.56695228204964 0.37559924524501 32.065 > 51 52 S 0.67175968812282 0.56695228204964 0.87559924524501 32.065 > 51 53 S 0.17175968812282 0.93304771795036 0.12559924524501 32.065 > 53 54 S 0.17175968812282 0.93304771795036 0.62559924524501 32.065 > 53 55 S 0.17175968812282 0.93304771795036 0.37440075475499 32.065 > 55 56 S 0.17175968812282 0.93304771795036 0.87440075475499 32.065 > 55 57 S 0.70089323864407 0.33876157012003 0.25000000000000 32.065 > 57 58 S 0.70089323864407 0.33876157012003 0.75000000000000 32.065 > 57 59 S 0.32824031187718 0.43304771795036 0.37559924524501 32.065 > 59 60 S 0.32824031187718 0.43304771795036 0.87559924524501 32.065 > 59 61 S 0.29910676135593 0.66123842987997 0.25000000000000 32.065 > 61 62 S 0.29910676135593 0.66123842987997 0.75000000000000 32.065 > 61 63 S 0.82824031187718 0.06695228204964 0.37440075475499 32.065 > 63 64 S 0.82824031187718 0.06695228204964 0.87440075475499 32.065 > 63 65 S 0.82824031187718 0.06695228204964 0.12559924524501 32.065 > 65 66 S 0.82824031187718 0.06695228204964 0.62559924524501 32.065 > 65 67 S 0.67175968812282 0.56695228204964 0.12440075475499 32.065 > 67 68 S 0.67175968812282 0.56695228204964 0.62440075475499 32.065 > 67 69 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 > 69 70 S 0.20089323864407 0.16123842987997 0.50000000000000 32.065 > 69 71 S 0.32824031187718 0.43304771795036 0.12440075475499 32.065 > 71 72 S 0.32824031187718 0.43304771795036 0.62440075475499 32.065 > 71 73 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 > 73 74 I 0.42887357034410 0.74164519521615 0.50000000000000 126.904 > 73 75 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 > 75 76 I 0.94344160466003 0.35712293708098 0.50000000000000 126.904 > 75 77 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 > 77 78 I 0.05655839533997 0.64287706291902 0.50000000000000 126.904 > 77 79 I 0.07112642965590 0.24164519521615 0.25000000000000 126.904 > 79 80 I 0.07112642965590 0.24164519521615 0.75000000000000 126.904 > 79 81 I 0.92887357034410 0.75835480478385 0.25000000000000 126.904 > 81 82 I 0.92887357034410 0.75835480478385 0.75000000000000 126.904 > 81 83 I 0.55655839533997 0.85712293708098 0.25000000000000 126.904 > 83 84 I 0.55655839533997 0.85712293708098 0.75000000000000 126.904 > 83 85 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 > 85 86 I 0.57112642965590 0.25835480478385 0.50000000000000 126.904 > 85 87 I 0.44344160466003 0.14287706291902 0.25000000000000 126.904 > 87 88 I 0.44344160466003 0.14287706291902 0.75000000000000 126.904 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4319269 0.0000000 0.0000000 0.0000000 4.7947764 0.0000000 0.0000000 0.0000000 4.5914612 -------------------------- Born effective charges -------------------------- 1 Li 1.1990914 -0.0555415 -0.1354503 -0.0475538 0.9368859 0.2846375 0.0006222 0.2677568 0.8671554 2 Li 1.1990914 0.0555415 0.1354503 0.0475538 0.9368859 0.2846375 -0.0006222 0.2677568 0.8671554 3 Li 1.0331045 0.0076994 0.0000000 -0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 4 Li 1.1990914 0.0555415 -0.1354503 0.0475538 0.9368859 -0.2846375 0.0006222 -0.2677568 0.8671554 5 Li 1.1519362 -0.0792165 -0.1361507 0.1279109 1.1790737 0.1481298 -0.0775577 0.1371032 1.1443012 6 Li 1.1990914 -0.0555415 -0.1354503 -0.0475538 0.9368859 0.2846375 0.0006222 0.2677568 0.8671554 7 Li 1.0331045 0.0076994 0.0000000 -0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 8 Li 1.1519362 -0.0792165 0.1361507 0.1279109 1.1790737 -0.1481298 0.0775577 -0.1371032 1.1443012 9 Li 1.1519362 -0.0792165 -0.1361507 0.1279109 1.1790737 0.1481298 -0.0775577 0.1371032 1.1443012 10 Li 1.1990914 0.0555415 -0.1354503 0.0475538 0.9368859 -0.2846375 0.0006222 -0.2677568 0.8671554 11 Li 1.1990914 -0.0555415 0.1354503 -0.0475538 0.9368859 -0.2846375 -0.0006222 -0.2677568 0.8671554 12 Li 1.1519362 0.0792165 -0.1361507 -0.1279109 1.1790737 -0.1481298 -0.0775577 -0.1371032 1.1443012 13 Li 1.1519362 0.0792165 0.1361507 -0.1279109 1.1790737 0.1481298 0.0775577 0.1371032 1.1443012 14 Li 1.1519362 -0.0792165 0.1361507 0.1279109 1.1790737 -0.1481298 0.0775577 -0.1371032 1.1443012 15 Li 1.0331045 -0.0076994 0.0000000 0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 16 Li 1.1990914 -0.0555415 0.1354503 -0.0475538 0.9368859 -0.2846375 -0.0006222 -0.2677568 0.8671554 17 Li 1.1519362 0.0792165 -0.1361507 -0.1279109 1.1790737 -0.1481298 -0.0775577 -0.1371032 1.1443012 18 Li 1.1519362 0.0792165 0.1361507 -0.1279109 1.1790737 0.1481298 0.0775577 0.1371032 1.1443012 19 Li 1.0331045 -0.0076994 0.0000000 0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 20 Li 1.1990914 0.0555415 0.1354503 0.0475538 0.9368859 0.2846375 -0.0006222 0.2677568 0.8671554 21 Sb 1.4963313 -0.3606011 0.0000000 -0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 22 Sb 1.4963313 0.3606011 0.0000000 0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 23 Sb 1.4963313 0.3606011 0.0000000 0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 24 Sb 1.4963313 -0.3606011 0.0000000 -0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 25 S -1.3227563 0.1155476 0.0000000 0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 26 S -1.6738175 0.0384695 0.2970784 0.1864012 -1.5357983 -0.3633213 0.6020680 -0.3469185 -1.8602297 27 S -1.6738175 -0.0384695 0.2970784 -0.1864012 -1.5357983 0.3633213 0.6020680 0.3469185 -1.8602297 28 S -1.6738175 -0.0384695 -0.2970784 -0.1864012 -1.5357983 -0.3633213 -0.6020680 -0.3469185 -1.8602297 29 S -1.3227563 -0.1155476 0.0000000 -0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 30 S -1.6738175 0.0384695 -0.2970784 0.1864012 -1.5357983 0.3633213 -0.6020680 0.3469185 -1.8602297 31 S -1.3227563 -0.1155476 0.0000000 -0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 32 S -1.6738175 -0.0384695 0.2970784 -0.1864012 -1.5357983 0.3633213 0.6020680 0.3469185 -1.8602297 33 S -1.6738175 -0.0384695 -0.2970784 -0.1864012 -1.5357983 -0.3633213 -0.6020680 -0.3469185 -1.8602297 34 S -1.6738175 0.0384695 -0.2970784 0.1864012 -1.5357983 0.3633213 -0.6020680 0.3469185 -1.8602297 35 S -1.3227563 0.1155476 0.0000000 0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 36 S -1.6738175 0.0384695 0.2970784 0.1864012 -1.5357983 -0.3633213 0.6020680 -0.3469185 -1.8602297 37 I -1.3593891 0.3498741 0.0000000 0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 38 I -1.2017107 -0.1355684 0.0000000 -0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 39 I -1.2017107 -0.1355684 0.0000000 -0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 40 I -1.3593891 -0.3498741 0.0000000 -0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 41 I -1.3593891 -0.3498741 0.0000000 -0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 42 I -1.2017107 0.1355684 0.0000000 0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 43 I -1.3593891 0.3498741 0.0000000 0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 44 I -1.2017107 0.1355684 0.0000000 0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 ---------------------------------------------------------------------------- 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[ 5, 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, 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[ 73, 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[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:16:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:16:41]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456810300000000 Atomic positions (fractional): 1 Li 0.06185003909605 0.09803838993692 0.23194571696941 6.941 2 Li 0.56185003909605 0.40196161006308 0.26805428303058 6.941 3 Li 0.31515133933141 0.96095994345333 0.50000000000000 6.941 4 Li 0.56185003909605 0.40196161006308 0.73194571696942 6.941 5 Li 0.30153392661589 0.25220044589724 0.24654931412752 6.941 6 Li 0.93814996090395 0.90196161006307 0.76805428303058 6.941 7 Li 0.68484866066859 0.03904005654667 0.50000000000000 6.941 8 Li 0.30153392661589 0.25220044589724 0.75345068587248 6.941 9 Li 0.69846607338411 0.74779955410276 0.75345068587248 6.941 10 Li 0.43814996090395 0.59803838993693 0.26805428303058 6.941 11 Li 0.06185003909605 0.09803838993692 0.76805428303058 6.941 12 Li 0.19846607338411 0.75220044589724 0.25345068587248 6.941 13 Li 0.80153392661589 0.24779955410276 0.25345068587248 6.941 14 Li 0.69846607338411 0.74779955410276 0.24654931412752 6.941 15 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 16 Li 0.93814996090395 0.90196161006307 0.23194571696941 6.941 17 Li 0.80153392661589 0.24779955410276 0.74654931412752 6.941 18 Li 0.19846607338411 0.75220044589724 0.74654931412752 6.941 19 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 20 Li 0.43814996090395 0.59803838993693 0.73194571696942 6.941 21 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 22 Sb 0.80395375009785 0.50593819670512 0.50000000000000 121.760 23 Sb 0.19604624990215 0.49406180329488 0.50000000000000 121.760 24 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 25 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 26 S 0.67175968812282 0.56695228204964 0.75119849049001 32.065 27 S 0.17175968812282 0.93304771795036 0.25119849049001 32.065 28 S 0.17175968812282 0.93304771795036 0.74880150950999 32.065 29 S 0.70089323864407 0.33876157012003 0.50000000000000 32.065 30 S 0.32824031187718 0.43304771795036 0.75119849049001 32.065 31 S 0.29910676135593 0.66123842987997 0.50000000000000 32.065 32 S 0.82824031187718 0.06695228204964 0.74880150950999 32.065 33 S 0.82824031187718 0.06695228204964 0.25119849049001 32.065 34 S 0.67175968812282 0.56695228204964 0.24880150950999 32.065 35 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 36 S 0.32824031187718 0.43304771795036 0.24880150950999 32.065 37 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 38 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 39 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 40 I 0.07112642965590 0.24164519521615 0.50000000000000 126.904 41 I 0.92887357034410 0.75835480478385 0.50000000000000 126.904 42 I 0.55655839533997 0.85712293708098 0.50000000000000 126.904 43 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 44 I 0.44344160466003 0.14287706291902 0.50000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.278601640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.353748810000003 0.000000000000000 c 0.000000000000000 0.000000000000000 14.913620600000000 Atomic positions (fractional): 1 Li 0.06185003909605 0.09803838993692 0.11597285848471 6.941 > 1 2 Li 0.06185003909605 0.09803838993692 0.61597285848471 6.941 > 1 3 Li 0.56185003909605 0.40196161006308 0.13402714151529 6.941 > 3 4 Li 0.56185003909605 0.40196161006308 0.63402714151529 6.941 > 3 5 Li 0.31515133933141 0.96095994345333 0.25000000000000 6.941 > 5 6 Li 0.31515133933141 0.96095994345333 0.75000000000000 6.941 > 5 7 Li 0.56185003909605 0.40196161006308 0.36597285848471 6.941 > 7 8 Li 0.56185003909605 0.40196161006308 0.86597285848471 6.941 > 7 9 Li 0.30153392661589 0.25220044589724 0.12327465706376 6.941 > 9 10 Li 0.30153392661589 0.25220044589724 0.62327465706376 6.941 > 9 11 Li 0.93814996090395 0.90196161006307 0.38402714151529 6.941 > 11 12 Li 0.93814996090395 0.90196161006307 0.88402714151529 6.941 > 11 13 Li 0.68484866066859 0.03904005654667 0.25000000000000 6.941 > 13 14 Li 0.68484866066859 0.03904005654667 0.75000000000000 6.941 > 13 15 Li 0.30153392661589 0.25220044589724 0.37672534293624 6.941 > 15 16 Li 0.30153392661589 0.25220044589724 0.87672534293624 6.941 > 15 17 Li 0.69846607338411 0.74779955410276 0.37672534293624 6.941 > 17 18 Li 0.69846607338411 0.74779955410276 0.87672534293624 6.941 > 17 19 Li 0.43814996090395 0.59803838993693 0.13402714151529 6.941 > 19 20 Li 0.43814996090395 0.59803838993693 0.63402714151529 6.941 > 19 21 Li 0.06185003909605 0.09803838993692 0.38402714151529 6.941 > 21 22 Li 0.06185003909605 0.09803838993692 0.88402714151529 6.941 > 21 23 Li 0.19846607338411 0.75220044589724 0.12672534293624 6.941 > 23 24 Li 0.19846607338411 0.75220044589724 0.62672534293624 6.941 > 23 25 Li 0.80153392661589 0.24779955410276 0.12672534293624 6.941 > 25 26 Li 0.80153392661589 0.24779955410276 0.62672534293624 6.941 > 25 27 Li 0.69846607338411 0.74779955410276 0.12327465706376 6.941 > 27 28 Li 0.69846607338411 0.74779955410276 0.62327465706376 6.941 > 27 29 Li 0.18484866066859 0.46095994345333 0.00000000000000 6.941 > 29 30 Li 0.18484866066859 0.46095994345333 0.50000000000000 6.941 > 29 31 Li 0.93814996090395 0.90196161006307 0.11597285848471 6.941 > 31 32 Li 0.93814996090395 0.90196161006307 0.61597285848471 6.941 > 31 33 Li 0.80153392661589 0.24779955410276 0.37327465706376 6.941 > 33 34 Li 0.80153392661589 0.24779955410276 0.87327465706376 6.941 > 33 35 Li 0.19846607338411 0.75220044589724 0.37327465706376 6.941 > 35 36 Li 0.19846607338411 0.75220044589724 0.87327465706376 6.941 > 35 37 Li 0.81515133933141 0.53904005654667 0.00000000000000 6.941 > 37 38 Li 0.81515133933141 0.53904005654667 0.50000000000000 6.941 > 37 39 Li 0.43814996090395 0.59803838993693 0.36597285848471 6.941 > 39 40 Li 0.43814996090395 0.59803838993693 0.86597285848471 6.941 > 39 41 Sb 0.30395375009786 0.99406180329488 0.00000000000000 121.760 > 41 42 Sb 0.30395375009786 0.99406180329488 0.50000000000000 121.760 > 41 43 Sb 0.80395375009785 0.50593819670512 0.25000000000000 121.760 > 43 44 Sb 0.80395375009785 0.50593819670512 0.75000000000000 121.760 > 43 45 Sb 0.19604624990215 0.49406180329488 0.25000000000000 121.760 > 45 46 Sb 0.19604624990215 0.49406180329488 0.75000000000000 121.760 > 45 47 Sb 0.69604624990215 0.00593819670512 0.00000000000000 121.760 > 47 48 Sb 0.69604624990215 0.00593819670512 0.50000000000000 121.760 > 47 49 S 0.79910676135593 0.83876157012003 0.00000000000000 32.065 > 49 50 S 0.79910676135593 0.83876157012003 0.50000000000000 32.065 > 49 51 S 0.67175968812282 0.56695228204964 0.37559924524501 32.065 > 51 52 S 0.67175968812282 0.56695228204964 0.87559924524501 32.065 > 51 53 S 0.17175968812282 0.93304771795036 0.12559924524501 32.065 > 53 54 S 0.17175968812282 0.93304771795036 0.62559924524501 32.065 > 53 55 S 0.17175968812282 0.93304771795036 0.37440075475499 32.065 > 55 56 S 0.17175968812282 0.93304771795036 0.87440075475499 32.065 > 55 57 S 0.70089323864407 0.33876157012003 0.25000000000000 32.065 > 57 58 S 0.70089323864407 0.33876157012003 0.75000000000000 32.065 > 57 59 S 0.32824031187718 0.43304771795036 0.37559924524501 32.065 > 59 60 S 0.32824031187718 0.43304771795036 0.87559924524501 32.065 > 59 61 S 0.29910676135593 0.66123842987997 0.25000000000000 32.065 > 61 62 S 0.29910676135593 0.66123842987997 0.75000000000000 32.065 > 61 63 S 0.82824031187718 0.06695228204964 0.37440075475499 32.065 > 63 64 S 0.82824031187718 0.06695228204964 0.87440075475499 32.065 > 63 65 S 0.82824031187718 0.06695228204964 0.12559924524501 32.065 > 65 66 S 0.82824031187718 0.06695228204964 0.62559924524501 32.065 > 65 67 S 0.67175968812282 0.56695228204964 0.12440075475499 32.065 > 67 68 S 0.67175968812282 0.56695228204964 0.62440075475499 32.065 > 67 69 S 0.20089323864407 0.16123842987997 0.00000000000000 32.065 > 69 70 S 0.20089323864407 0.16123842987997 0.50000000000000 32.065 > 69 71 S 0.32824031187718 0.43304771795036 0.12440075475499 32.065 > 71 72 S 0.32824031187718 0.43304771795036 0.62440075475499 32.065 > 71 73 I 0.42887357034410 0.74164519521615 0.00000000000000 126.904 > 73 74 I 0.42887357034410 0.74164519521615 0.50000000000000 126.904 > 73 75 I 0.94344160466003 0.35712293708098 0.00000000000000 126.904 > 75 76 I 0.94344160466003 0.35712293708098 0.50000000000000 126.904 > 75 77 I 0.05655839533997 0.64287706291902 0.00000000000000 126.904 > 77 78 I 0.05655839533997 0.64287706291902 0.50000000000000 126.904 > 77 79 I 0.07112642965590 0.24164519521615 0.25000000000000 126.904 > 79 80 I 0.07112642965590 0.24164519521615 0.75000000000000 126.904 > 79 81 I 0.92887357034410 0.75835480478385 0.25000000000000 126.904 > 81 82 I 0.92887357034410 0.75835480478385 0.75000000000000 126.904 > 81 83 I 0.55655839533997 0.85712293708098 0.25000000000000 126.904 > 83 84 I 0.55655839533997 0.85712293708098 0.75000000000000 126.904 > 83 85 I 0.57112642965590 0.25835480478385 0.00000000000000 126.904 > 85 86 I 0.57112642965590 0.25835480478385 0.50000000000000 126.904 > 85 87 I 0.44344160466003 0.14287706291902 0.25000000000000 126.904 > 87 88 I 0.44344160466003 0.14287706291902 0.75000000000000 126.904 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4319269 0.0000000 0.0000000 0.0000000 4.7947764 0.0000000 0.0000000 0.0000000 4.5914612 -------------------------- Born effective charges -------------------------- 1 Li 1.1990914 -0.0555415 -0.1354503 -0.0475538 0.9368859 0.2846375 0.0006222 0.2677568 0.8671554 2 Li 1.1990914 0.0555415 0.1354503 0.0475538 0.9368859 0.2846375 -0.0006222 0.2677568 0.8671554 3 Li 1.0331045 0.0076994 0.0000000 -0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 4 Li 1.1990914 0.0555415 -0.1354503 0.0475538 0.9368859 -0.2846375 0.0006222 -0.2677568 0.8671554 5 Li 1.1519362 -0.0792165 -0.1361507 0.1279109 1.1790737 0.1481298 -0.0775577 0.1371032 1.1443012 6 Li 1.1990914 -0.0555415 -0.1354503 -0.0475538 0.9368859 0.2846375 0.0006222 0.2677568 0.8671554 7 Li 1.0331045 0.0076994 0.0000000 -0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 8 Li 1.1519362 -0.0792165 0.1361507 0.1279109 1.1790737 -0.1481298 0.0775577 -0.1371032 1.1443012 9 Li 1.1519362 -0.0792165 -0.1361507 0.1279109 1.1790737 0.1481298 -0.0775577 0.1371032 1.1443012 10 Li 1.1990914 0.0555415 -0.1354503 0.0475538 0.9368859 -0.2846375 0.0006222 -0.2677568 0.8671554 11 Li 1.1990914 -0.0555415 0.1354503 -0.0475538 0.9368859 -0.2846375 -0.0006222 -0.2677568 0.8671554 12 Li 1.1519362 0.0792165 -0.1361507 -0.1279109 1.1790737 -0.1481298 -0.0775577 -0.1371032 1.1443012 13 Li 1.1519362 0.0792165 0.1361507 -0.1279109 1.1790737 0.1481298 0.0775577 0.1371032 1.1443012 14 Li 1.1519362 -0.0792165 0.1361507 0.1279109 1.1790737 -0.1481298 0.0775577 -0.1371032 1.1443012 15 Li 1.0331045 -0.0076994 0.0000000 0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 16 Li 1.1990914 -0.0555415 0.1354503 -0.0475538 0.9368859 -0.2846375 -0.0006222 -0.2677568 0.8671554 17 Li 1.1519362 0.0792165 -0.1361507 -0.1279109 1.1790737 -0.1481298 -0.0775577 -0.1371032 1.1443012 18 Li 1.1519362 0.0792165 0.1361507 -0.1279109 1.1790737 0.1481298 0.0775577 0.1371032 1.1443012 19 Li 1.0331045 -0.0076994 0.0000000 0.0708209 1.0524547 0.0000000 0.0000000 0.0000000 1.1488015 20 Li 1.1990914 0.0555415 0.1354503 0.0475538 0.9368859 0.2846375 -0.0006222 0.2677568 0.8671554 21 Sb 1.4963313 -0.3606011 0.0000000 -0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 22 Sb 1.4963313 0.3606011 0.0000000 0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 23 Sb 1.4963313 0.3606011 0.0000000 0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 24 Sb 1.4963313 -0.3606011 0.0000000 -0.3248315 2.8336948 0.0000000 0.0000000 0.0000000 2.3604249 25 S -1.3227563 0.1155476 0.0000000 0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 26 S -1.6738175 0.0384695 0.2970784 0.1864012 -1.5357983 -0.3633213 0.6020680 -0.3469185 -1.8602297 27 S -1.6738175 -0.0384695 0.2970784 -0.1864012 -1.5357983 0.3633213 0.6020680 0.3469185 -1.8602297 28 S -1.6738175 -0.0384695 -0.2970784 -0.1864012 -1.5357983 -0.3633213 -0.6020680 -0.3469185 -1.8602297 29 S -1.3227563 -0.1155476 0.0000000 -0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 30 S -1.6738175 0.0384695 -0.2970784 0.1864012 -1.5357983 0.3633213 -0.6020680 0.3469185 -1.8602297 31 S -1.3227563 -0.1155476 0.0000000 -0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 32 S -1.6738175 -0.0384695 0.2970784 -0.1864012 -1.5357983 0.3633213 0.6020680 0.3469185 -1.8602297 33 S -1.6738175 -0.0384695 -0.2970784 -0.1864012 -1.5357983 -0.3633213 -0.6020680 -0.3469185 -1.8602297 34 S -1.6738175 0.0384695 -0.2970784 0.1864012 -1.5357983 0.3633213 -0.6020680 0.3469185 -1.8602297 35 S -1.3227563 0.1155476 0.0000000 0.4109115 -2.2937874 0.0000000 0.0000000 0.0000000 -1.4351777 36 S -1.6738175 0.0384695 0.2970784 0.1864012 -1.5357983 -0.3633213 0.6020680 -0.3469185 -1.8602297 37 I -1.3593891 0.3498741 0.0000000 0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 38 I -1.2017107 -0.1355684 0.0000000 -0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 39 I -1.2017107 -0.1355684 0.0000000 -0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 40 I -1.3593891 -0.3498741 0.0000000 -0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 41 I -1.3593891 -0.3498741 0.0000000 -0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 42 I -1.2017107 0.1355684 0.0000000 0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 43 I -1.3593891 0.3498741 0.0000000 0.1490665 -1.4137849 0.0000000 0.0000000 0.0000000 -1.2987995 44 I -1.2017107 0.1355684 0.0000000 0.0952105 -1.3388997 0.0000000 0.0000000 0.0000000 -1.0777027 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 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 0.711 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.907 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.114 ( 0.000 0.000 0.000) 0.000 1.207 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.816 ( 0.000 0.000 0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.446 ( 0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.185 ( 0.000 0.000 0.000) 0.000 12.354 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.972 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( 9.833 0.000 0.000) 9.833 0.355 ( 17.648 0.000 0.000) 17.648 0.616 ( 29.720 0.000 0.000) 29.720 0.690 ( -2.729 0.000 0.000) 2.729 0.880 ( 2.226 0.000 0.000) 2.226 0.888 ( -1.363 0.000 0.000) 1.363 1.024 ( -4.199 0.000 0.000) 4.199 1.115 ( -3.095 0.000 0.000) 3.095 1.122 ( -5.366 0.000 0.000) 5.366 1.207 ( -1.341 0.000 0.000) 1.341 1.237 ( 2.315 0.000 0.000) 2.315 1.264 ( -1.715 0.000 0.000) 1.715 1.324 ( 1.009 0.000 0.000) 1.009 1.414 ( -4.977 0.000 0.000) 4.977 1.504 ( -0.018 0.000 0.000) 0.018 1.592 ( -1.198 0.000 0.000) 1.198 1.598 ( -0.489 0.000 0.000) 0.489 1.637 ( 8.805 0.000 0.000) 8.805 1.652 ( 0.885 0.000 0.000) 0.885 1.688 ( 4.088 0.000 0.000) 4.088 1.724 ( -1.730 0.000 0.000) 1.730 1.737 ( 0.460 0.000 0.000) 0.460 1.807 ( 0.042 0.000 0.000) 0.042 1.828 ( 0.738 0.000 0.000) 0.738 1.882 ( 2.826 0.000 0.000) 2.826 1.910 ( -1.551 0.000 0.000) 1.551 1.944 ( 7.141 0.000 0.000) 7.141 2.023 ( -5.957 0.000 0.000) 5.957 2.046 ( -2.717 0.000 0.000) 2.717 2.070 ( -6.131 0.000 0.000) 6.131 2.129 ( -5.472 0.000 0.000) 5.472 2.198 ( 2.964 0.000 0.000) 2.964 2.210 ( -0.019 0.000 0.000) 0.019 2.274 ( 0.731 0.000 0.000) 0.731 2.309 ( 1.363 0.000 0.000) 1.363 2.419 ( 5.031 0.000 0.000) 5.031 2.447 ( 2.893 0.000 0.000) 2.893 2.728 ( -3.577 0.000 0.000) 3.577 2.751 ( -5.088 0.000 0.000) 5.088 2.803 ( -3.312 0.000 0.000) 3.312 2.917 ( 5.700 0.000 0.000) 5.700 3.134 ( 1.151 0.000 0.000) 1.151 3.145 ( -2.906 0.000 0.000) 2.906 3.231 ( 0.196 0.000 0.000) 0.196 3.242 ( 4.177 0.000 0.000) 4.177 3.573 ( -4.556 0.000 0.000) 4.556 3.645 ( -2.223 0.000 0.000) 2.223 3.656 ( 13.823 0.000 0.000) 13.823 3.726 ( -3.249 0.000 0.000) 3.249 3.848 ( 8.646 0.000 0.000) 8.646 4.121 ( -2.844 0.000 0.000) 2.844 4.174 ( 2.318 0.000 0.000) 2.318 4.364 ( -1.499 0.000 0.000) 1.499 4.522 ( 9.811 0.000 0.000) 9.811 4.579 ( -1.202 0.000 0.000) 1.202 4.774 ( 2.079 0.000 0.000) 2.079 4.850 ( 2.892 0.000 0.000) 2.892 4.940 ( 1.847 0.000 0.000) 1.847 5.153 ( 1.840 0.000 0.000) 1.840 5.316 ( -8.479 0.000 0.000) 8.479 5.370 ( 3.365 0.000 0.000) 3.365 5.389 ( -5.555 0.000 0.000) 5.555 5.464 ( -8.233 0.000 0.000) 8.233 5.634 ( 4.838 0.000 0.000) 4.838 5.744 ( -2.983 0.000 0.000) 2.983 5.816 ( -1.103 0.000 0.000) 1.103 6.074 ( 1.126 0.000 0.000) 1.126 6.165 ( -1.108 0.000 0.000) 1.108 6.610 ( -0.830 0.000 0.000) 0.830 6.805 ( -4.054 0.000 0.000) 4.054 6.846 ( 1.353 0.000 0.000) 1.353 6.938 ( -0.851 0.000 0.000) 0.851 7.194 ( 1.223 0.000 0.000) 1.223 7.238 ( 0.178 0.000 0.000) 0.178 7.277 ( 0.241 0.000 0.000) 0.241 7.354 ( -1.873 0.000 0.000) 1.873 7.532 ( 1.899 0.000 0.000) 1.899 7.666 ( -1.493 0.000 0.000) 1.493 8.070 ( 0.875 0.000 0.000) 0.875 8.215 ( -2.677 0.000 0.000) 2.677 8.230 ( 1.633 0.000 0.000) 1.633 8.263 ( -0.333 0.000 0.000) 0.333 8.370 ( 4.670 0.000 0.000) 4.670 8.819 ( 0.270 0.000 0.000) 0.270 8.859 ( -6.070 0.000 0.000) 6.070 8.877 ( -2.016 0.000 0.000) 2.016 8.970 ( -0.054 0.000 0.000) 0.054 8.973 ( 2.572 0.000 0.000) 2.572 8.993 ( -0.646 0.000 0.000) 0.646 9.098 ( -1.547 0.000 0.000) 1.547 9.147 ( 0.836 0.000 0.000) 0.836 9.169 ( -0.101 0.000 0.000) 0.101 9.453 ( 4.358 0.000 0.000) 4.358 9.454 ( 1.655 0.000 0.000) 1.655 9.479 ( 5.111 0.000 0.000) 5.111 9.575 ( -1.194 0.000 0.000) 1.194 9.586 ( 5.546 0.000 0.000) 5.546 9.782 ( -2.271 0.000 0.000) 2.271 9.841 ( 0.482 0.000 0.000) 0.482 9.855 ( 0.060 0.000 0.000) 0.060 9.965 ( -2.088 0.000 0.000) 2.088 9.991 ( -5.308 0.000 0.000) 5.308 10.146 ( 4.052 0.000 0.000) 4.052 10.276 ( -6.033 0.000 0.000) 6.033 10.334 ( -2.168 0.000 0.000) 2.168 10.376 ( 0.099 0.000 0.000) 0.099 10.462 ( -0.043 0.000 0.000) 0.043 10.479 ( 2.363 0.000 0.000) 2.363 10.669 ( 1.789 0.000 0.000) 1.789 10.737 ( -4.146 0.000 0.000) 4.146 10.738 ( -8.224 0.000 0.000) 8.224 10.805 ( -0.933 0.000 0.000) 0.933 11.015 ( -1.420 0.000 0.000) 1.420 11.043 ( 0.948 0.000 0.000) 0.948 11.052 ( 0.866 0.000 0.000) 0.866 11.117 ( 9.670 0.000 0.000) 9.670 11.151 ( -0.901 0.000 0.000) 0.901 11.177 ( -1.631 0.000 0.000) 1.631 11.228 ( 4.019 0.000 0.000) 4.019 11.305 ( -5.935 0.000 0.000) 5.935 11.376 ( -0.807 0.000 0.000) 0.807 11.625 ( -4.179 0.000 0.000) 4.179 11.692 ( 2.817 0.000 0.000) 2.817 11.862 ( -1.482 0.000 0.000) 1.482 12.010 ( 1.983 0.000 0.000) 1.983 12.018 ( 1.895 0.000 0.000) 1.895 12.169 ( -1.660 0.000 0.000) 1.660 12.247 ( -5.811 0.000 0.000) 5.811 12.581 ( 1.057 0.000 0.000) 1.057 12.611 ( 0.485 0.000 0.000) 0.485 12.701 ( 15.407 0.000 0.000) 15.407 13.482 ( -6.747 0.000 0.000) 6.747 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 11.317 0.000 0.000) 11.317 0.579 ( -8.767 0.000 0.000) 8.767 0.667 ( 13.445 0.000 0.000) 13.445 0.831 ( -3.558 0.000 0.000) 3.558 0.927 ( 2.242 0.000 0.000) 2.242 0.964 ( -1.961 0.000 0.000) 1.961 1.049 ( -1.789 0.000 0.000) 1.789 1.054 ( -2.146 0.000 0.000) 2.146 1.104 ( 13.283 0.000 0.000) 13.283 1.164 ( -1.872 0.000 0.000) 1.872 1.287 ( 2.283 0.000 0.000) 2.283 1.292 ( 4.029 0.000 0.000) 4.029 1.320 ( -1.109 0.000 0.000) 1.109 1.325 ( -1.220 0.000 0.000) 1.220 1.477 ( -4.134 0.000 0.000) 4.134 1.511 ( -0.623 0.000 0.000) 0.623 1.594 ( 0.507 0.000 0.000) 0.507 1.651 ( -3.963 0.000 0.000) 3.963 1.734 ( 0.869 0.000 0.000) 0.869 1.748 ( 1.797 0.000 0.000) 1.797 1.752 ( 4.097 0.000 0.000) 4.097 1.757 ( 1.597 0.000 0.000) 1.597 1.821 ( -5.945 0.000 0.000) 5.945 1.832 ( 2.435 0.000 0.000) 2.435 1.848 ( 0.756 0.000 0.000) 0.756 1.887 ( -6.927 0.000 0.000) 6.927 1.940 ( -0.314 0.000 0.000) 0.314 1.985 ( -3.408 0.000 0.000) 3.408 2.030 ( -0.208 0.000 0.000) 0.208 2.035 ( 0.391 0.000 0.000) 0.391 2.111 ( 9.479 0.000 0.000) 9.479 2.215 ( 0.168 0.000 0.000) 0.168 2.217 ( -0.160 0.000 0.000) 0.160 2.254 ( -3.960 0.000 0.000) 3.960 2.377 ( 4.577 0.000 0.000) 4.577 2.453 ( -2.415 0.000 0.000) 2.415 2.553 ( 8.029 0.000 0.000) 8.029 2.658 ( -2.217 0.000 0.000) 2.217 2.664 ( -2.830 0.000 0.000) 2.830 2.703 ( -6.842 0.000 0.000) 6.842 3.054 ( 7.648 0.000 0.000) 7.648 3.099 ( -0.848 0.000 0.000) 0.848 3.119 ( -2.090 0.000 0.000) 2.090 3.193 ( -6.176 0.000 0.000) 6.176 3.296 ( 6.290 0.000 0.000) 6.290 3.442 ( -7.950 0.000 0.000) 7.950 3.624 ( 0.203 0.000 0.000) 0.203 3.657 ( -3.094 0.000 0.000) 3.094 3.922 ( 7.963 0.000 0.000) 7.963 4.043 ( -5.068 0.000 0.000) 5.068 4.190 ( 24.624 0.000 0.000) 24.624 4.238 ( 3.977 0.000 0.000) 3.977 4.315 ( -3.491 0.000 0.000) 3.491 4.519 ( -7.214 0.000 0.000) 7.214 4.703 ( 6.754 0.000 0.000) 6.754 4.791 ( -1.561 0.000 0.000) 1.561 4.912 ( 3.639 0.000 0.000) 3.639 5.055 ( 10.717 0.000 0.000) 10.717 5.064 ( -13.763 0.000 0.000) 13.763 5.205 ( 3.431 0.000 0.000) 3.431 5.285 ( -10.833 0.000 0.000) 10.833 5.286 ( -4.852 0.000 0.000) 4.852 5.473 ( 7.070 0.000 0.000) 7.070 5.629 ( -8.095 0.000 0.000) 8.095 5.720 ( 3.873 0.000 0.000) 3.873 5.782 ( -2.460 0.000 0.000) 2.460 6.104 ( 1.802 0.000 0.000) 1.802 6.139 ( -1.630 0.000 0.000) 1.630 6.625 ( 2.739 0.000 0.000) 2.739 6.708 ( -5.266 0.000 0.000) 5.266 6.879 ( 1.913 0.000 0.000) 1.913 6.914 ( -1.590 0.000 0.000) 1.590 7.221 ( 1.257 0.000 0.000) 1.257 7.237 ( -0.386 0.000 0.000) 0.386 7.287 ( 0.897 0.000 0.000) 0.897 7.314 ( -1.902 0.000 0.000) 1.902 7.577 ( 2.550 0.000 0.000) 2.550 7.626 ( -2.438 0.000 0.000) 2.438 8.099 ( 2.174 0.000 0.000) 2.174 8.154 ( -3.276 0.000 0.000) 3.276 8.250 ( 0.526 0.000 0.000) 0.526 8.257 ( -0.310 0.000 0.000) 0.310 8.515 ( 9.480 0.000 0.000) 9.480 8.706 ( -9.388 0.000 0.000) 9.388 8.827 ( 0.628 0.000 0.000) 0.628 8.845 ( -1.266 0.000 0.000) 1.266 8.969 ( 0.158 0.000 0.000) 0.158 8.978 ( -0.710 0.000 0.000) 0.710 9.021 ( 2.336 0.000 0.000) 2.336 9.063 ( -1.980 0.000 0.000) 1.980 9.160 ( 0.468 0.000 0.000) 0.468 9.166 ( -0.211 0.000 0.000) 0.211 9.496 ( 2.432 0.000 0.000) 2.432 9.542 ( -2.146 0.000 0.000) 2.146 9.562 ( 6.276 0.000 0.000) 6.276 9.612 ( 7.989 0.000 0.000) 7.989 9.661 ( -1.637 0.000 0.000) 1.637 9.733 ( -2.333 0.000 0.000) 2.333 9.850 ( 0.405 0.000 0.000) 0.405 9.855 ( -0.076 0.000 0.000) 0.076 9.880 ( -3.015 0.000 0.000) 3.015 9.919 ( -3.147 0.000 0.000) 3.147 10.163 ( -1.606 0.000 0.000) 1.606 10.173 ( -3.355 0.000 0.000) 3.355 10.353 ( 3.191 0.000 0.000) 3.191 10.378 ( -0.023 0.000 0.000) 0.023 10.467 ( 2.124 0.000 0.000) 2.124 10.546 ( 4.382 0.000 0.000) 4.382 10.579 ( -7.898 0.000 0.000) 7.898 10.642 ( -5.221 0.000 0.000) 5.221 10.715 ( 2.810 0.000 0.000) 2.810 10.770 ( -2.534 0.000 0.000) 2.534 11.045 ( 4.407 0.000 0.000) 4.407 11.066 ( 1.141 0.000 0.000) 1.141 11.071 ( 0.763 0.000 0.000) 0.763 11.132 ( -0.659 0.000 0.000) 0.659 11.143 ( -1.604 0.000 0.000) 1.604 11.166 ( -7.352 0.000 0.000) 7.352 11.287 ( 5.465 0.000 0.000) 5.465 11.292 ( 2.299 0.000 0.000) 2.299 11.379 ( 2.905 0.000 0.000) 2.905 11.510 ( -7.413 0.000 0.000) 7.413 11.757 ( 3.537 0.000 0.000) 3.537 11.820 ( -2.800 0.000 0.000) 2.800 12.066 ( 3.629 0.000 0.000) 3.629 12.066 ( 2.937 0.000 0.000) 2.937 12.124 ( -2.792 0.000 0.000) 2.792 12.147 ( -4.624 0.000 0.000) 4.624 12.602 ( 1.012 0.000 0.000) 1.012 12.615 ( -0.214 0.000 0.000) 0.214 13.015 ( 15.872 0.000 0.000) 15.872 13.294 ( -12.330 0.000 0.000) 12.330 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 0.000 14.685 0.000) 14.685 0.396 ( 0.000 20.198 0.000) 20.198 0.605 ( 0.000 29.349 0.000) 29.349 0.753 ( 0.000 -9.342 0.000) 9.342 0.799 ( 0.000 8.260 0.000) 8.260 0.914 ( 0.000 -0.842 0.000) 0.842 1.100 ( 0.000 -3.726 0.000) 3.726 1.130 ( 0.000 1.619 0.000) 1.619 1.176 ( 0.000 0.191 0.000) 0.191 1.214 ( 0.000 -1.894 0.000) 1.894 1.242 ( 0.000 0.306 0.000) 0.306 1.267 ( 0.000 -0.733 0.000) 0.733 1.283 ( 0.000 -0.816 0.000) 0.816 1.455 ( 0.000 -3.669 0.000) 3.669 1.468 ( 0.000 -2.868 0.000) 2.868 1.525 ( 0.000 1.455 0.000) 1.455 1.551 ( 0.000 -7.339 0.000) 7.339 1.565 ( 0.000 3.317 0.000) 3.317 1.647 ( 0.000 -2.267 0.000) 2.267 1.648 ( 0.000 -0.472 0.000) 0.472 1.652 ( 0.000 1.752 0.000) 1.752 1.752 ( 0.000 -9.080 0.000) 9.080 1.758 ( 0.000 -3.687 0.000) 3.687 1.763 ( 0.000 -4.974 0.000) 4.974 1.866 ( 0.000 6.341 0.000) 6.341 1.930 ( 0.000 4.654 0.000) 4.654 1.953 ( 0.000 3.555 0.000) 3.555 2.001 ( 0.000 -1.766 0.000) 1.766 2.054 ( 0.000 -1.207 0.000) 1.207 2.120 ( 0.000 -1.277 0.000) 1.277 2.121 ( 0.000 0.603 0.000) 0.603 2.124 ( 0.000 -6.957 0.000) 6.957 2.243 ( 0.000 2.487 0.000) 2.487 2.248 ( 0.000 2.565 0.000) 2.565 2.315 ( 0.000 1.175 0.000) 1.175 2.356 ( 0.000 -1.607 0.000) 1.607 2.594 ( 0.000 14.091 0.000) 14.091 2.750 ( 0.000 -0.385 0.000) 0.385 2.783 ( 0.000 -2.284 0.000) 2.284 2.886 ( 0.000 1.670 0.000) 1.670 2.906 ( 0.000 8.710 0.000) 8.710 2.936 ( 0.000 0.426 0.000) 0.426 2.966 ( 0.000 -8.940 0.000) 8.940 3.198 ( 0.000 7.299 0.000) 7.299 3.298 ( 0.000 6.014 0.000) 6.014 3.330 ( 0.000 9.078 0.000) 9.078 3.518 ( 0.000 -12.225 0.000) 12.225 3.623 ( 0.000 -9.977 0.000) 9.977 3.629 ( 0.000 -4.920 0.000) 4.920 3.681 ( 0.000 -16.917 0.000) 16.917 3.811 ( 0.000 6.308 0.000) 6.308 4.136 ( 0.000 -4.995 0.000) 4.995 4.190 ( 0.000 3.750 0.000) 3.750 4.356 ( 0.000 -2.838 0.000) 2.838 4.647 ( 0.000 5.531 0.000) 5.531 4.754 ( 0.000 0.596 0.000) 0.596 4.798 ( 0.000 -0.153 0.000) 0.153 4.888 ( 0.000 -4.136 0.000) 4.136 5.194 ( 0.000 5.854 0.000) 5.854 5.306 ( 0.000 3.972 0.000) 3.972 5.414 ( 0.000 -1.494 0.000) 1.494 5.431 ( 0.000 -4.181 0.000) 4.181 5.595 ( 0.000 3.272 0.000) 3.272 5.615 ( 0.000 5.113 0.000) 5.113 5.742 ( 0.000 -2.363 0.000) 2.363 5.799 ( 0.000 -2.967 0.000) 2.967 6.080 ( 0.000 1.687 0.000) 1.687 6.160 ( 0.000 -1.765 0.000) 1.765 6.660 ( 0.000 3.462 0.000) 3.462 6.816 ( 0.000 -3.156 0.000) 3.156 6.843 ( 0.000 1.227 0.000) 1.227 6.922 ( 0.000 -2.279 0.000) 2.279 7.200 ( 0.000 1.554 0.000) 1.554 7.234 ( 0.000 -0.183 0.000) 0.183 7.308 ( 0.000 1.509 0.000) 1.509 7.468 ( 0.000 -4.654 0.000) 4.654 7.608 ( 0.000 0.844 0.000) 0.844 7.669 ( 0.000 -1.254 0.000) 1.254 8.086 ( 0.000 2.471 0.000) 2.471 8.188 ( 0.000 4.606 0.000) 4.606 8.215 ( 0.000 -2.862 0.000) 2.862 8.314 ( 0.000 -1.405 0.000) 1.405 8.397 ( 0.000 7.919 0.000) 7.919 8.825 ( 0.000 1.094 0.000) 1.094 8.829 ( 0.000 -9.649 0.000) 9.649 8.905 ( 0.000 -2.180 0.000) 2.180 8.958 ( 0.000 3.884 0.000) 3.884 8.965 ( 0.000 0.007 0.000) 0.007 9.000 ( 0.000 -0.818 0.000) 0.818 9.110 ( 0.000 -2.158 0.000) 2.158 9.119 ( 0.000 -0.017 0.000) 0.017 9.148 ( 0.000 -2.003 0.000) 2.003 9.322 ( 0.000 -0.007 0.000) 0.007 9.366 ( 0.000 -2.898 0.000) 2.898 9.470 ( 0.000 3.003 0.000) 3.003 9.572 ( 0.000 -1.571 0.000) 1.571 9.830 ( 0.000 1.726 0.000) 1.726 9.838 ( 0.000 3.163 0.000) 3.163 9.840 ( 0.000 0.453 0.000) 0.453 9.854 ( 0.000 -0.088 0.000) 0.088 9.895 ( 0.000 7.694 0.000) 7.694 10.039 ( 0.000 -2.322 0.000) 2.322 10.180 ( 0.000 7.148 0.000) 7.148 10.236 ( 0.000 -3.042 0.000) 3.042 10.392 ( 0.000 -6.016 0.000) 6.016 10.395 ( 0.000 1.039 0.000) 1.039 10.478 ( 0.000 2.231 0.000) 2.231 10.610 ( 0.000 -3.667 0.000) 3.667 10.714 ( 0.000 -3.422 0.000) 3.422 10.796 ( 0.000 -10.476 0.000) 10.476 10.801 ( 0.000 0.926 0.000) 0.926 10.809 ( 0.000 0.242 0.000) 0.242 11.038 ( 0.000 0.437 0.000) 0.437 11.044 ( 0.000 0.099 0.000) 0.099 11.067 ( 0.000 2.686 0.000) 2.686 11.132 ( 0.000 1.673 0.000) 1.673 11.160 ( 0.000 0.068 0.000) 0.068 11.186 ( 0.000 -0.896 0.000) 0.896 11.236 ( 0.000 5.834 0.000) 5.834 11.409 ( 0.000 -2.028 0.000) 2.028 11.479 ( 0.000 5.993 0.000) 5.993 11.654 ( 0.000 -1.540 0.000) 1.540 11.686 ( 0.000 2.509 0.000) 2.509 11.826 ( 0.000 -4.078 0.000) 4.078 12.047 ( 0.000 3.858 0.000) 3.858 12.167 ( 0.000 -1.877 0.000) 1.877 12.241 ( 0.000 1.053 0.000) 1.053 12.328 ( 0.000 -2.534 0.000) 2.534 12.501 ( 0.000 1.781 0.000) 1.781 12.565 ( 0.000 -1.153 0.000) 1.153 12.650 ( 0.000 4.913 0.000) 4.913 12.915 ( 0.000 -5.787 0.000) 5.787 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 5.152 12.804 0.000) 13.802 0.420 ( 9.107 13.445 0.000) 16.240 0.719 ( -2.873 -1.803 0.000) 3.392 0.833 ( 2.585 0.387 0.000) 2.614 0.843 ( 12.097 10.697 0.000) 16.148 0.940 ( 6.366 7.137 0.000) 9.564 1.026 ( -4.671 -1.729 0.000) 4.980 1.112 ( -3.991 -0.284 0.000) 4.001 1.124 ( -3.823 0.479 0.000) 3.853 1.202 ( -2.291 -1.071 0.000) 2.529 1.235 ( 1.727 0.355 0.000) 1.763 1.249 ( -0.808 -0.434 0.000) 0.917 1.308 ( 0.509 -1.846 0.000) 1.915 1.335 ( -8.696 -7.707 0.000) 11.620 1.479 ( -1.667 -3.826 0.000) 4.174 1.509 ( -1.607 -3.494 0.000) 3.846 1.576 ( 1.473 -1.341 0.000) 1.992 1.656 ( -0.851 -2.886 0.000) 3.009 1.667 ( 8.107 3.075 0.000) 8.670 1.678 ( 2.991 1.076 0.000) 3.178 1.700 ( 3.712 1.251 0.000) 3.917 1.766 ( 1.920 -2.361 0.000) 3.044 1.769 ( 0.812 -4.638 0.000) 4.709 1.831 ( 3.714 -2.028 0.000) 4.231 1.868 ( 3.940 1.984 0.000) 4.411 1.934 ( -2.343 2.374 0.000) 3.336 1.963 ( -5.522 -3.147 0.000) 6.356 1.966 ( 4.685 2.713 0.000) 5.414 2.039 ( -3.004 -0.743 0.000) 3.095 2.096 ( -1.321 1.134 0.000) 1.741 2.147 ( 2.545 -7.199 0.000) 7.636 2.153 ( 0.894 -2.646 0.000) 2.793 2.199 ( -3.889 4.694 0.000) 6.096 2.224 ( -0.405 2.250 0.000) 2.286 2.332 ( 1.961 1.309 0.000) 2.358 2.412 ( 2.855 -2.986 0.000) 4.131 2.612 ( 1.556 12.590 0.000) 12.686 2.720 ( -3.402 -0.290 0.000) 3.414 2.749 ( -4.528 -0.759 0.000) 4.591 2.856 ( -4.788 4.866 0.000) 6.827 2.967 ( 6.424 4.887 0.000) 8.072 2.988 ( 1.936 -5.366 0.000) 5.704 3.215 ( 6.000 -4.903 0.000) 7.748 3.249 ( -4.637 3.749 0.000) 5.963 3.336 ( 0.733 8.512 0.000) 8.543 3.481 ( -3.045 -8.849 0.000) 9.358 3.528 ( 27.371 -4.546 0.000) 27.746 3.588 ( -1.084 -5.284 0.000) 5.394 3.664 ( 0.569 -6.269 0.000) 6.294 3.801 ( 2.026 -3.668 0.000) 4.191 4.051 ( 26.531 -17.062 0.000) 31.544 4.135 ( 4.703 -7.961 0.000) 9.246 4.175 ( -0.847 1.481 0.000) 1.706 4.330 ( -2.623 -3.792 0.000) 4.611 4.644 ( 0.038 4.588 0.000) 4.588 4.778 ( 1.266 -0.239 0.000) 1.288 4.822 ( 2.438 -1.025 0.000) 2.645 4.891 ( 0.969 -2.371 0.000) 2.562 5.212 ( 1.831 5.708 0.000) 5.995 5.333 ( 1.035 0.745 0.000) 1.276 5.345 ( -8.174 0.199 0.000) 8.176 5.393 ( -3.208 -0.862 0.000) 3.322 5.510 ( -6.016 4.036 0.000) 7.245 5.650 ( 2.983 2.267 0.000) 3.747 5.713 ( -3.613 -3.498 0.000) 5.029 5.790 ( -0.947 -2.779 0.000) 2.936 6.090 ( 1.053 1.654 0.000) 1.961 6.156 ( -0.329 -1.004 0.000) 1.056 6.639 ( -1.632 2.756 0.000) 3.203 6.768 ( -4.180 -2.833 0.000) 5.049 6.855 ( 1.156 1.027 0.000) 1.546 6.919 ( -0.292 -1.777 0.000) 1.801 7.206 ( 0.631 1.050 0.000) 1.225 7.236 ( 0.085 -0.279 0.000) 0.292 7.271 ( -2.666 -0.358 0.000) 2.690 7.364 ( -6.992 -3.117 0.000) 7.656 7.599 ( 2.381 5.463 0.000) 5.959 7.722 ( 0.934 1.709 0.000) 1.948 8.092 ( 0.702 2.259 0.000) 2.365 8.197 ( -1.797 -1.982 0.000) 2.676 8.203 ( 1.273 1.091 0.000) 1.676 8.284 ( -1.902 -0.334 0.000) 1.931 8.437 ( 3.997 6.907 0.000) 7.980 8.792 ( -3.805 -7.677 0.000) 8.569 8.829 ( 0.343 1.135 0.000) 1.186 8.887 ( -1.431 -0.014 0.000) 1.431 8.969 ( -0.046 0.672 0.000) 0.673 8.976 ( 1.506 1.195 0.000) 1.923 9.008 ( 0.757 0.084 0.000) 0.762 9.085 ( -1.728 -1.634 0.000) 2.378 9.134 ( 0.766 -0.822 0.000) 1.124 9.151 ( 0.158 -1.629 0.000) 1.637 9.367 ( 5.025 -2.170 0.000) 5.473 9.429 ( 5.326 -3.243 0.000) 6.236 9.483 ( 1.265 2.629 0.000) 2.918 9.566 ( -0.649 -1.048 0.000) 1.232 9.773 ( -0.213 8.748 0.000) 8.751 9.842 ( 0.136 0.144 0.000) 0.198 9.853 ( -0.036 -0.194 0.000) 0.197 9.857 ( -2.238 6.215 0.000) 6.606 9.932 ( 1.417 -0.754 0.000) 1.605 9.996 ( -3.963 -1.417 0.000) 4.209 10.186 ( 0.199 3.014 0.000) 3.021 10.240 ( 1.723 -0.697 0.000) 1.858 10.332 ( -5.646 2.557 0.000) 6.198 10.390 ( -0.317 -5.841 0.000) 5.850 10.501 ( 2.345 2.213 0.000) 3.224 10.587 ( -11.796 5.275 0.000) 12.922 10.626 ( 1.485 -3.512 0.000) 3.813 10.681 ( -8.594 -5.118 0.000) 10.002 10.762 ( -3.095 1.737 0.000) 3.549 10.802 ( -1.317 -0.368 0.000) 1.368 11.011 ( 1.608 1.225 0.000) 2.022 11.044 ( 0.655 0.189 0.000) 0.682 11.053 ( 0.805 0.013 0.000) 0.805 11.091 ( 0.262 -0.124 0.000) 0.290 11.151 ( -0.830 0.143 0.000) 0.843 11.173 ( -1.232 -0.524 0.000) 1.339 11.270 ( -0.246 1.891 0.000) 1.907 11.333 ( -3.945 -0.108 0.000) 3.946 11.457 ( 0.336 8.854 0.000) 8.861 11.676 ( -0.842 1.853 0.000) 2.035 11.711 ( 2.323 1.995 0.000) 3.062 11.825 ( -0.262 -3.223 0.000) 3.234 12.023 ( -5.297 2.346 0.000) 5.793 12.053 ( 0.695 3.039 0.000) 3.117 12.153 ( -1.386 -1.603 0.000) 2.119 12.208 ( -7.026 -4.019 0.000) 8.094 12.575 ( 1.794 -0.365 0.000) 1.830 12.591 ( 2.127 -1.087 0.000) 2.389 12.788 ( 13.013 7.857 0.000) 15.201 13.239 ( 9.033 -16.597 0.000) 18.895 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 8.452 8.356 0.000) 11.886 0.628 ( -6.850 3.593 0.000) 7.735 0.683 ( 15.143 3.077 0.000) 15.453 0.887 ( 2.879 -2.790 0.000) 4.009 0.900 ( -2.990 6.430 0.000) 7.091 0.947 ( -3.379 -2.300 0.000) 4.088 1.052 ( -1.451 0.430 0.000) 1.513 1.059 ( -2.094 0.211 0.000) 2.104 1.067 ( -2.724 -7.093 0.000) 7.599 1.106 ( -6.437 -5.019 0.000) 8.162 1.255 ( 5.151 -3.991 0.000) 6.517 1.273 ( 1.753 -1.010 0.000) 2.024 1.300 ( 3.013 -0.269 0.000) 3.025 1.300 ( -1.004 -1.853 0.000) 2.107 1.466 ( 2.149 1.126 0.000) 2.426 1.490 ( 0.868 -2.706 0.000) 2.842 1.568 ( -2.159 -0.186 0.000) 2.167 1.606 ( -3.652 -0.944 0.000) 3.772 1.738 ( 2.427 -1.122 0.000) 2.674 1.748 ( 1.845 0.230 0.000) 1.860 1.761 ( 0.797 0.009 0.000) 0.797 1.805 ( -0.732 -2.655 0.000) 2.754 1.842 ( 3.559 1.363 0.000) 3.811 1.850 ( 0.174 4.180 0.000) 4.184 1.866 ( 0.411 1.091 0.000) 1.166 1.905 ( 0.301 0.329 0.000) 0.446 1.949 ( -1.383 1.169 0.000) 1.811 1.963 ( -2.720 0.278 0.000) 2.734 2.074 ( -3.501 4.152 0.000) 5.430 2.082 ( -1.332 3.461 0.000) 3.708 2.112 ( 8.527 0.301 0.000) 8.532 2.198 ( 1.828 -1.495 0.000) 2.362 2.200 ( 0.733 -4.125 0.000) 4.190 2.223 ( -0.321 1.129 0.000) 1.174 2.379 ( 2.541 0.262 0.000) 2.555 2.423 ( -1.491 -2.706 0.000) 3.089 2.645 ( 2.402 7.224 0.000) 7.613 2.654 ( -2.007 -0.166 0.000) 2.013 2.664 ( -3.011 -0.226 0.000) 3.019 2.737 ( -6.556 2.954 0.000) 7.191 3.042 ( 3.777 -2.542 0.000) 4.553 3.100 ( 6.919 4.738 0.000) 8.386 3.139 ( -5.941 -0.424 0.000) 5.956 3.214 ( -4.074 1.524 0.000) 4.350 3.369 ( 2.599 5.906 0.000) 6.452 3.423 ( -2.810 -0.730 0.000) 2.903 3.589 ( 1.412 -3.283 0.000) 3.573 3.638 ( -2.847 -2.624 0.000) 3.871 3.852 ( 3.396 -6.879 0.000) 7.671 3.890 ( 3.093 -9.007 0.000) 9.523 4.188 ( 2.482 -3.381 0.000) 4.195 4.260 ( -4.247 -5.040 0.000) 6.590 4.281 ( 20.631 5.161 0.000) 21.267 4.522 ( 5.114 -2.366 0.000) 5.635 4.674 ( 5.974 -1.389 0.000) 6.133 4.774 ( -2.141 -2.327 0.000) 3.162 4.900 ( 5.478 -1.050 0.000) 5.577 4.954 ( 7.548 -4.661 0.000) 8.871 5.088 ( -14.222 1.057 0.000) 14.261 5.224 ( -12.650 -5.301 0.000) 13.716 5.260 ( 2.986 4.933 0.000) 5.766 5.325 ( -3.547 2.880 0.000) 4.569 5.499 ( 4.333 2.838 0.000) 5.180 5.609 ( -6.207 -1.859 0.000) 6.479 5.711 ( 2.989 -0.585 0.000) 3.045 5.761 ( -2.043 -2.093 0.000) 2.925 6.117 ( 1.569 1.271 0.000) 2.019 6.144 ( -1.027 0.324 0.000) 1.077 6.627 ( 1.077 0.436 0.000) 1.162 6.682 ( -4.132 -2.089 0.000) 4.630 6.883 ( 1.490 0.397 0.000) 1.542 6.908 ( -0.962 -0.650 0.000) 1.161 7.221 ( 0.824 0.119 0.000) 0.833 7.234 ( -0.369 -0.344 0.000) 0.504 7.238 ( -0.297 -3.171 0.000) 3.185 7.266 ( -3.153 -3.970 0.000) 5.069 7.657 ( 3.034 6.421 0.000) 7.102 7.707 ( -1.943 5.567 0.000) 5.897 8.115 ( 1.633 1.462 0.000) 2.192 8.154 ( -2.306 -0.115 0.000) 2.309 8.228 ( 1.241 -1.137 0.000) 1.684 8.253 ( -1.379 -0.938 0.000) 1.668 8.548 ( 7.025 3.085 0.000) 7.673 8.687 ( -6.668 -2.580 0.000) 7.150 8.839 ( 0.764 1.234 0.000) 1.451 8.859 ( -1.281 1.124 0.000) 1.704 8.981 ( 1.189 1.659 0.000) 2.040 9.005 ( -0.998 1.814 0.000) 2.070 9.010 ( 1.916 -0.903 0.000) 2.118 9.048 ( -1.980 -1.637 0.000) 2.569 9.146 ( 0.462 -0.986 0.000) 1.089 9.152 ( -0.128 -1.196 0.000) 1.202 9.494 ( 6.588 -3.845 0.000) 7.628 9.514 ( 1.762 1.606 0.000) 2.385 9.534 ( 3.769 -4.420 0.000) 5.809 9.546 ( -1.391 0.219 0.000) 1.409 9.763 ( -1.807 5.507 0.000) 5.796 9.807 ( -4.219 4.565 0.000) 6.216 9.846 ( 0.281 -0.321 0.000) 0.427 9.851 ( -0.218 -0.402 0.000) 0.457 9.895 ( 1.036 2.405 0.000) 2.619 9.954 ( -2.288 2.187 0.000) 3.165 10.177 ( -0.032 2.182 0.000) 2.183 10.218 ( -4.431 4.147 0.000) 6.069 10.320 ( 4.638 -0.688 0.000) 4.688 10.402 ( -0.289 -4.510 0.000) 4.519 10.413 ( -2.409 -0.734 0.000) 2.518 10.526 ( -7.807 -5.079 0.000) 9.314 10.564 ( 3.976 1.804 0.000) 4.366 10.636 ( -2.142 -0.925 0.000) 2.333 10.719 ( 0.468 0.587 0.000) 0.751 10.761 ( -2.663 -0.891 0.000) 2.809 11.061 ( 4.195 1.469 0.000) 4.445 11.062 ( 0.922 -0.225 0.000) 0.949 11.068 ( 0.431 -0.358 0.000) 0.560 11.135 ( -0.385 0.409 0.000) 0.562 11.146 ( -1.274 0.146 0.000) 1.282 11.151 ( -0.820 -2.465 0.000) 2.598 11.205 ( 0.041 -1.095 0.000) 1.096 11.276 ( -3.397 -3.310 0.000) 4.743 11.515 ( 4.772 10.365 0.000) 11.411 11.614 ( -4.837 7.929 0.000) 9.288 11.764 ( 2.759 0.741 0.000) 2.857 11.808 ( -1.601 -1.153 0.000) 1.973 12.014 ( 2.656 -4.542 0.000) 5.262 12.077 ( 1.778 1.044 0.000) 2.062 12.092 ( -5.029 -5.443 0.000) 7.410 12.117 ( -2.147 -0.689 0.000) 2.255 12.604 ( 1.226 0.290 0.000) 1.259 12.615 ( 0.314 -0.038 0.000) 0.316 13.046 ( 12.224 3.139 0.000) 12.621 13.236 ( -6.518 -5.365 0.000) 8.443 ======================= Grid point 10 (7/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 -12.879 0.000) 12.879 0.541 ( 0.000 12.879 0.000) 12.879 0.727 ( 0.000 -13.688 0.000) 13.688 0.727 ( 0.000 13.688 0.000) 13.688 0.970 ( 0.000 -8.889 0.000) 8.889 0.970 ( 0.000 8.889 0.000) 8.889 1.108 ( 0.000 -14.860 0.000) 14.860 1.108 ( 0.000 14.860 0.000) 14.860 1.167 ( 0.000 -1.882 0.000) 1.882 1.167 ( 0.000 1.882 0.000) 1.882 1.259 ( 0.000 -1.538 0.000) 1.538 1.259 ( 0.000 1.538 0.000) 1.538 1.308 ( 0.000 -8.406 0.000) 8.406 1.308 ( 0.000 8.406 0.000) 8.406 1.439 ( 0.000 -2.322 0.000) 2.322 1.439 ( 0.000 2.322 0.000) 2.322 1.571 ( 0.000 -3.817 0.000) 3.817 1.571 ( 0.000 3.817 0.000) 3.817 1.651 ( 0.000 -5.268 0.000) 5.268 1.651 ( 0.000 5.268 0.000) 5.268 1.667 ( 0.000 -1.663 0.000) 1.663 1.667 ( 0.000 1.663 0.000) 1.663 1.700 ( 0.000 -2.268 0.000) 2.268 1.700 ( 0.000 2.268 0.000) 2.268 1.956 ( 0.000 -3.306 0.000) 3.306 1.956 ( 0.000 3.306 0.000) 3.306 2.018 ( 0.000 -4.851 0.000) 4.851 2.018 ( 0.000 4.851 0.000) 4.851 2.033 ( 0.000 -3.363 0.000) 3.363 2.033 ( 0.000 3.363 0.000) 3.363 2.101 ( 0.000 -0.280 0.000) 0.280 2.101 ( 0.000 0.280 0.000) 0.280 2.281 ( 0.000 -0.563 0.000) 0.563 2.281 ( 0.000 0.563 0.000) 0.563 2.326 ( 0.000 -0.621 0.000) 0.621 2.326 ( 0.000 0.621 0.000) 0.621 2.752 ( 0.000 -0.791 0.000) 0.791 2.752 ( 0.000 0.791 0.000) 0.791 2.803 ( 0.000 -8.871 0.000) 8.871 2.803 ( 0.000 8.871 0.000) 8.871 2.923 ( 0.000 -1.840 0.000) 1.840 2.923 ( 0.000 1.840 0.000) 1.840 3.185 ( 0.000 -19.320 0.000) 19.320 3.185 ( 0.000 19.320 0.000) 19.320 3.386 ( 0.000 -13.134 0.000) 13.134 3.386 ( 0.000 13.134 0.000) 13.134 3.430 ( 0.000 -5.262 0.000) 5.262 3.430 ( 0.000 5.262 0.000) 5.262 3.519 ( 0.000 -4.442 0.000) 4.442 3.519 ( 0.000 4.442 0.000) 4.442 3.976 ( 0.000 -10.289 0.000) 10.289 3.976 ( 0.000 10.289 0.000) 10.289 4.277 ( 0.000 -4.995 0.000) 4.995 4.277 ( 0.000 4.995 0.000) 4.995 4.751 ( 0.000 -3.028 0.000) 3.028 4.751 ( 0.000 3.028 0.000) 3.028 4.802 ( 0.000 -2.619 0.000) 2.619 4.802 ( 0.000 2.619 0.000) 2.619 5.323 ( 0.000 -6.975 0.000) 6.975 5.323 ( 0.000 6.975 0.000) 6.975 5.374 ( 0.000 -2.849 0.000) 2.849 5.374 ( 0.000 2.849 0.000) 2.849 5.675 ( 0.000 -4.580 0.000) 4.580 5.675 ( 0.000 4.580 0.000) 4.580 5.719 ( 0.000 -5.330 0.000) 5.330 5.719 ( 0.000 5.330 0.000) 5.330 6.119 ( 0.000 -2.349 0.000) 2.349 6.119 ( 0.000 2.349 0.000) 2.349 6.740 ( 0.000 -4.633 0.000) 4.633 6.740 ( 0.000 4.633 0.000) 4.633 6.877 ( 0.000 -2.252 0.000) 2.252 6.877 ( 0.000 2.252 0.000) 2.252 7.225 ( 0.000 -0.931 0.000) 0.931 7.225 ( 0.000 0.931 0.000) 0.931 7.368 ( 0.000 -4.916 0.000) 4.916 7.368 ( 0.000 4.916 0.000) 4.916 7.638 ( 0.000 -1.895 0.000) 1.895 7.638 ( 0.000 1.895 0.000) 1.895 8.148 ( 0.000 -3.887 0.000) 3.887 8.148 ( 0.000 3.887 0.000) 3.887 8.269 ( 0.000 -3.530 0.000) 3.530 8.269 ( 0.000 3.530 0.000) 3.530 8.604 ( 0.000 -12.997 0.000) 12.997 8.604 ( 0.000 12.997 0.000) 12.997 8.859 ( 0.000 -2.361 0.000) 2.361 8.859 ( 0.000 2.361 0.000) 2.361 8.976 ( 0.000 -1.248 0.000) 1.248 8.976 ( 0.000 1.248 0.000) 1.248 9.044 ( 0.000 -4.684 0.000) 4.684 9.044 ( 0.000 4.684 0.000) 4.684 9.122 ( 0.000 -0.588 0.000) 0.588 9.122 ( 0.000 0.588 0.000) 0.588 9.331 ( 0.000 -0.979 0.000) 0.979 9.331 ( 0.000 0.979 0.000) 0.979 9.529 ( 0.000 -2.924 0.000) 2.924 9.529 ( 0.000 2.924 0.000) 2.924 9.849 ( 0.000 -0.395 0.000) 0.395 9.849 ( 0.000 0.395 0.000) 0.395 9.863 ( 0.000 -0.982 0.000) 0.982 9.863 ( 0.000 0.982 0.000) 0.982 10.009 ( 0.000 -2.301 0.000) 2.301 10.009 ( 0.000 2.301 0.000) 2.301 10.226 ( 0.000 -3.195 0.000) 3.195 10.226 ( 0.000 3.195 0.000) 3.195 10.362 ( 0.000 -4.547 0.000) 4.547 10.362 ( 0.000 4.547 0.000) 4.547 10.536 ( 0.000 -3.823 0.000) 3.823 10.536 ( 0.000 3.823 0.000) 3.823 10.677 ( 0.000 -1.140 0.000) 1.140 10.677 ( 0.000 1.140 0.000) 1.140 10.811 ( 0.000 -0.104 0.000) 0.104 10.811 ( 0.000 0.104 0.000) 0.104 11.045 ( 0.000 -0.138 0.000) 0.138 11.045 ( 0.000 0.138 0.000) 0.138 11.119 ( 0.000 -2.314 0.000) 2.314 11.119 ( 0.000 2.314 0.000) 2.314 11.168 ( 0.000 -0.832 0.000) 0.832 11.168 ( 0.000 0.832 0.000) 0.832 11.341 ( 0.000 -4.893 0.000) 4.893 11.341 ( 0.000 4.893 0.000) 4.893 11.595 ( 0.000 -5.051 0.000) 5.051 11.595 ( 0.000 5.051 0.000) 5.051 11.748 ( 0.000 -3.932 0.000) 3.932 11.748 ( 0.000 3.932 0.000) 3.932 12.117 ( 0.000 -3.365 0.000) 3.365 12.117 ( 0.000 3.365 0.000) 3.365 12.275 ( 0.000 -2.601 0.000) 2.601 12.275 ( 0.000 2.601 0.000) 2.601 12.536 ( 0.000 -1.812 0.000) 1.812 12.536 ( 0.000 1.812 0.000) 1.812 12.778 ( 0.000 -8.020 0.000) 8.020 12.778 ( 0.000 8.020 0.000) 8.020 ======================= Grid point 12 (8/36) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 2.316 -11.439 0.000) 11.671 0.565 ( 2.316 11.439 0.000) 11.671 0.737 ( 2.397 -15.978 0.000) 16.157 0.737 ( 2.397 15.978 0.000) 16.157 0.938 ( -2.550 -6.835 0.000) 7.295 0.938 ( -2.550 6.835 0.000) 7.295 1.121 ( -3.950 -0.737 0.000) 4.018 1.121 ( -3.950 0.737 0.000) 4.018 1.137 ( -0.548 -6.739 0.000) 6.761 1.137 ( -0.548 6.739 0.000) 6.761 1.263 ( 0.452 -2.427 0.000) 2.468 1.263 ( 0.452 2.427 0.000) 2.468 1.274 ( -3.152 -1.309 0.000) 3.413 1.274 ( -3.152 1.309 0.000) 3.413 1.428 ( 1.470 -4.121 0.000) 4.376 1.428 ( 1.470 4.121 0.000) 4.376 1.588 ( 0.434 -2.891 0.000) 2.923 1.588 ( 0.434 2.891 0.000) 2.923 1.700 ( 2.596 -1.498 0.000) 2.997 1.700 ( 2.596 1.498 0.000) 2.997 1.718 ( 2.432 -1.501 0.000) 2.857 1.718 ( 2.432 1.501 0.000) 2.857 1.763 ( 7.884 -3.950 0.000) 8.818 1.763 ( 7.884 3.950 0.000) 8.818 1.915 ( -1.203 -2.356 0.000) 2.646 1.915 ( -1.203 2.356 0.000) 2.646 2.001 ( -3.844 -3.737 0.000) 5.361 2.001 ( -3.844 3.737 0.000) 5.361 2.038 ( 2.614 -4.730 0.000) 5.404 2.038 ( 2.614 4.730 0.000) 5.404 2.108 ( 0.748 -1.410 0.000) 1.597 2.108 ( 0.748 1.410 0.000) 1.597 2.266 ( -1.132 -1.080 0.000) 1.565 2.266 ( -1.132 1.080 0.000) 1.565 2.354 ( 1.653 -2.452 0.000) 2.957 2.354 ( 1.653 2.452 0.000) 2.957 2.727 ( -3.579 -1.072 0.000) 3.736 2.727 ( -3.579 1.072 0.000) 3.736 2.797 ( -1.075 -7.683 0.000) 7.758 2.797 ( -1.075 7.683 0.000) 7.758 3.084 ( 9.362 -7.247 0.000) 11.839 3.084 ( 9.362 7.247 0.000) 11.839 3.137 ( -4.075 -14.810 0.000) 15.361 3.137 ( -4.075 14.810 0.000) 15.361 3.435 ( 0.393 -3.627 0.000) 3.648 3.435 ( 0.393 3.627 0.000) 3.648 3.533 ( 1.383 -5.483 0.000) 5.655 3.533 ( 1.383 5.483 0.000) 5.655 3.611 ( 19.997 -10.790 0.000) 22.722 3.611 ( 19.997 10.790 0.000) 22.722 4.001 ( 6.247 -6.592 0.000) 9.082 4.001 ( 6.247 6.592 0.000) 9.082 4.241 ( -3.294 -4.915 0.000) 5.916 4.241 ( -3.294 4.915 0.000) 5.916 4.733 ( -0.939 -4.152 0.000) 4.257 4.733 ( -0.939 4.152 0.000) 4.257 4.842 ( 2.932 -2.504 0.000) 3.856 4.842 ( 2.932 2.504 0.000) 3.856 5.329 ( 0.557 -5.657 0.000) 5.685 5.329 ( 0.557 5.657 0.000) 5.685 5.343 ( -4.639 -0.625 0.000) 4.681 5.343 ( -4.639 0.625 0.000) 4.681 5.617 ( -4.653 -6.317 0.000) 7.845 5.617 ( -4.653 6.317 0.000) 7.845 5.719 ( 0.003 -4.379 0.000) 4.379 5.719 ( 0.003 4.379 0.000) 4.379 6.127 ( 0.709 -1.977 0.000) 2.100 6.127 ( 0.709 1.977 0.000) 2.100 6.704 ( -3.192 -3.824 0.000) 4.981 6.704 ( -3.192 3.824 0.000) 4.981 6.883 ( 0.578 -1.857 0.000) 1.945 6.883 ( 0.578 1.857 0.000) 1.945 7.225 ( 0.053 -0.853 0.000) 0.855 7.225 ( 0.053 0.853 0.000) 0.855 7.294 ( -5.426 -3.031 0.000) 6.215 7.294 ( -5.426 3.031 0.000) 6.215 7.692 ( 3.844 -3.985 0.000) 5.537 7.692 ( 3.844 3.985 0.000) 5.537 8.146 ( -0.197 -3.144 0.000) 3.150 8.146 ( -0.197 3.144 0.000) 3.150 8.252 ( -1.412 -2.860 0.000) 3.189 8.252 ( -1.412 2.860 0.000) 3.189 8.609 ( 0.456 -10.592 0.000) 10.601 8.609 ( 0.456 10.592 0.000) 10.601 8.861 ( 0.194 -2.080 0.000) 2.089 8.861 ( 0.194 2.080 0.000) 2.089 8.991 ( 1.325 -1.472 0.000) 1.981 8.991 ( 1.325 1.472 0.000) 1.981 9.030 ( -1.110 -3.774 0.000) 3.933 9.030 ( -1.110 3.774 0.000) 3.933 9.129 ( 0.520 -0.428 0.000) 0.673 9.129 ( 0.520 0.428 0.000) 0.673 9.374 ( 4.239 -2.174 0.000) 4.764 9.374 ( 4.239 2.174 0.000) 4.764 9.534 ( 0.388 -2.388 0.000) 2.419 9.534 ( 0.388 2.388 0.000) 2.419 9.847 ( -0.168 -0.406 0.000) 0.439 9.847 ( -0.168 0.406 0.000) 0.439 9.890 ( 1.968 -3.513 0.000) 4.026 9.890 ( 1.968 3.513 0.000) 4.026 9.959 ( -4.345 -2.471 0.000) 4.998 9.959 ( -4.345 2.471 0.000) 4.998 10.232 ( 0.740 -4.615 0.000) 4.674 10.232 ( 0.740 4.615 0.000) 4.674 10.341 ( -1.862 -2.880 0.000) 3.430 10.341 ( -1.862 2.880 0.000) 3.430 10.557 ( 2.055 -3.593 0.000) 4.139 10.557 ( 2.055 3.593 0.000) 4.139 10.606 ( -7.846 -1.098 0.000) 7.922 10.606 ( -7.846 1.098 0.000) 7.922 10.789 ( -2.173 -1.107 0.000) 2.439 10.789 ( -2.173 1.107 0.000) 2.439 11.050 ( 0.524 -0.327 0.000) 0.617 11.050 ( 0.524 0.327 0.000) 0.617 11.066 ( -1.714 -2.903 0.000) 3.371 11.066 ( -1.714 2.903 0.000) 3.371 11.160 ( -0.772 -0.734 0.000) 1.065 11.160 ( -0.772 0.734 0.000) 1.065 11.307 ( -3.495 -2.004 0.000) 4.029 11.307 ( -3.495 2.004 0.000) 4.029 11.621 ( 2.620 -7.084 0.000) 7.553 11.621 ( 2.620 7.084 0.000) 7.553 11.762 ( 1.181 -3.240 0.000) 3.449 11.762 ( 1.181 3.240 0.000) 3.449 12.109 ( -9.321 -5.934 0.000) 11.050 12.109 ( -9.321 5.934 0.000) 11.050 12.111 ( -0.593 -2.839 0.000) 2.901 12.111 ( -0.593 2.839 0.000) 2.901 12.576 ( 2.176 -0.463 0.000) 2.225 12.576 ( 2.176 0.463 0.000) 2.225 12.975 ( 12.231 -11.928 0.000) 17.084 12.975 ( 12.231 11.928 0.000) 17.084 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 2.323 -5.660 0.000) 6.118 0.618 ( 2.323 5.660 0.000) 6.118 0.827 ( 5.803 -12.145 0.000) 13.460 0.827 ( 5.803 12.145 0.000) 13.460 0.887 ( -2.195 -3.080 0.000) 3.782 0.887 ( -2.195 3.080 0.000) 3.782 1.033 ( -7.353 -5.699 0.000) 9.303 1.033 ( -7.353 5.699 0.000) 9.303 1.059 ( -1.670 -0.189 0.000) 1.680 1.059 ( -1.670 0.189 0.000) 1.680 1.248 ( 0.234 -3.088 0.000) 3.097 1.248 ( 0.234 3.088 0.000) 3.097 1.270 ( 0.150 -0.903 0.000) 0.916 1.270 ( 0.150 0.903 0.000) 0.916 1.481 ( 1.879 -1.412 0.000) 2.351 1.481 ( 1.879 1.412 0.000) 2.351 1.598 ( 1.118 -1.487 0.000) 1.860 1.598 ( 1.118 1.487 0.000) 1.860 1.720 ( -0.471 -1.809 0.000) 1.870 1.720 ( -0.471 1.809 0.000) 1.870 1.756 ( 1.252 -0.460 0.000) 1.334 1.756 ( 1.252 0.460 0.000) 1.334 1.869 ( 2.060 -0.934 0.000) 2.262 1.869 ( 2.060 0.934 0.000) 2.262 1.905 ( -3.550 -2.184 0.000) 4.168 1.905 ( -3.550 2.184 0.000) 4.168 1.968 ( 4.379 -2.065 0.000) 4.842 1.968 ( 4.379 2.065 0.000) 4.842 2.117 ( -0.448 -1.888 0.000) 1.941 2.117 ( -0.448 1.888 0.000) 1.941 2.136 ( 5.496 -2.448 0.000) 6.016 2.136 ( 5.496 2.448 0.000) 6.016 2.219 ( -3.094 -3.074 0.000) 4.361 2.219 ( -3.094 3.074 0.000) 4.361 2.385 ( 1.327 -0.706 0.000) 1.503 2.385 ( 1.327 0.706 0.000) 1.503 2.656 ( -2.525 -0.420 0.000) 2.560 2.656 ( -2.525 0.420 0.000) 2.560 2.749 ( -3.045 -2.953 0.000) 4.241 2.749 ( -3.045 2.953 0.000) 4.241 3.073 ( -1.765 -5.249 0.000) 5.538 3.073 ( -1.765 5.249 0.000) 5.538 3.199 ( 2.984 -4.102 0.000) 5.073 3.199 ( 2.984 4.103 0.000) 5.073 3.441 ( 0.142 -1.431 0.000) 1.438 3.441 ( 0.142 1.431 0.000) 1.438 3.564 ( 1.260 -3.308 0.000) 3.540 3.564 ( 1.260 3.308 0.000) 3.540 3.779 ( 0.346 -1.757 0.000) 1.791 3.779 ( 0.346 1.757 0.000) 1.791 4.176 ( -2.370 -2.578 0.000) 3.502 4.176 ( -2.370 2.578 0.000) 3.502 4.395 ( 24.481 -7.755 0.000) 25.679 4.395 ( 24.481 7.755 0.000) 25.679 4.712 ( -2.016 -3.703 0.000) 4.216 4.712 ( -2.016 3.703 0.000) 4.216 4.906 ( 4.552 -1.539 0.000) 4.805 4.906 ( 4.552 1.539 0.000) 4.805 5.130 ( -16.050 -3.825 0.000) 16.500 5.130 ( -16.050 3.825 0.000) 16.500 5.339 ( 0.324 -2.172 0.000) 2.196 5.339 ( 0.324 2.172 0.000) 2.196 5.562 ( -0.841 -3.211 0.000) 3.319 5.562 ( -0.841 3.211 0.000) 3.319 5.719 ( -0.000 -1.714 0.000) 1.714 5.719 ( -0.000 1.714 0.000) 1.714 6.140 ( 0.446 -0.873 0.000) 0.980 6.140 ( 0.446 0.873 0.000) 0.980 6.646 ( -1.927 -1.582 0.000) 2.493 6.646 ( -1.927 1.582 0.000) 2.493 6.894 ( 0.363 -0.733 0.000) 0.818 6.894 ( 0.363 0.733 0.000) 0.818 7.213 ( -2.320 -0.920 0.000) 2.496 7.213 ( -2.320 0.920 0.000) 2.496 7.226 ( 0.027 -0.385 0.000) 0.385 7.226 ( 0.027 0.385 0.000) 0.385 7.748 ( 1.583 -1.961 0.000) 2.520 7.748 ( 1.583 1.961 0.000) 2.520 8.142 ( -0.120 -1.201 0.000) 1.207 8.142 ( -0.120 1.201 0.000) 1.207 8.228 ( -0.728 -1.177 0.000) 1.384 8.228 ( -0.728 1.177 0.000) 1.384 8.617 ( 0.277 -4.141 0.000) 4.150 8.617 ( 0.277 4.141 0.000) 4.150 8.864 ( 0.129 -0.923 0.000) 0.932 8.864 ( 0.129 0.923 0.000) 0.932 9.012 ( -0.587 -1.529 0.000) 1.637 9.012 ( -0.587 1.529 0.000) 1.637 9.015 ( 0.801 -1.107 0.000) 1.367 9.015 ( 0.801 1.107 0.000) 1.367 9.137 ( 0.212 -0.168 0.000) 0.271 9.137 ( 0.212 0.168 0.000) 0.271 9.471 ( 4.400 -1.581 0.000) 4.675 9.471 ( 4.400 1.581 0.000) 4.675 9.541 ( 0.242 -0.927 0.000) 0.958 9.541 ( 0.242 0.927 0.000) 0.958 9.832 ( -4.840 -1.506 0.000) 5.069 9.832 ( -4.840 1.506 0.000) 5.069 9.844 ( -0.109 -0.201 0.000) 0.228 9.844 ( -0.109 0.201 0.000) 0.228 9.955 ( 1.773 -2.351 0.000) 2.945 9.955 ( 1.773 2.351 0.000) 2.945 10.251 ( 0.606 -4.362 0.000) 4.404 10.251 ( 0.606 4.362 0.000) 4.404 10.323 ( 1.573 -0.202 0.000) 1.586 10.323 ( 1.573 0.202 0.000) 1.586 10.427 ( -8.428 -3.633 0.000) 9.178 10.427 ( -8.428 3.633 0.000) 9.178 10.605 ( 2.224 -2.207 0.000) 3.133 10.605 ( 2.224 2.207 0.000) 3.133 10.739 ( -2.309 -1.343 0.000) 2.671 10.739 ( -2.309 1.343 0.000) 2.671 11.062 ( 0.487 -0.242 0.000) 0.543 11.062 ( 0.487 0.242 0.000) 0.543 11.099 ( 3.696 -2.560 0.000) 4.495 11.099 ( 3.696 2.560 0.000) 4.495 11.144 ( -0.611 -0.360 0.000) 0.709 11.144 ( -0.611 0.360 0.000) 0.709 11.222 ( -4.481 -2.132 0.000) 4.962 11.222 ( -4.481 2.132 0.000) 4.962 11.676 ( 2.111 -4.235 0.000) 4.732 11.676 ( 2.111 4.235 0.000) 4.732 11.783 ( 0.757 -1.295 0.000) 1.500 11.783 ( 0.757 1.295 0.000) 1.500 11.984 ( -3.489 -3.752 0.000) 5.124 11.984 ( -3.489 3.752 0.000) 5.124 12.099 ( -0.409 -1.174 0.000) 1.243 12.099 ( -0.409 1.174 0.000) 1.243 12.611 ( 1.142 -0.352 0.000) 1.195 12.611 ( 1.142 0.352 0.000) 1.195 13.128 ( 3.583 -5.463 0.000) 6.533 13.128 ( 3.583 5.463 0.000) 6.533 ======================= Grid point 25 (10/36) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.144 ( 0.000 0.000 10.000) 10.000 0.286 ( 0.000 0.000 15.669) 15.669 0.645 ( 0.000 0.000 30.351) 30.351 0.921 ( 0.000 0.000 16.516) 16.516 0.936 ( 0.000 0.000 3.348) 3.348 0.943 ( 0.000 0.000 7.505) 7.505 1.111 ( 0.000 0.000 0.155) 0.155 1.135 ( 0.000 0.000 -2.946) 2.946 1.198 ( 0.000 0.000 4.696) 4.696 1.287 ( 0.000 0.000 0.747) 0.747 1.360 ( 0.000 0.000 13.342) 13.342 1.361 ( 0.000 0.000 9.375) 9.375 1.370 ( 0.000 0.000 -1.623) 1.623 1.482 ( 0.000 0.000 -0.900) 0.900 1.482 ( 0.000 0.000 -2.399) 2.399 1.525 ( 0.000 0.000 2.314) 2.314 1.595 ( 0.000 0.000 -0.695) 0.695 1.620 ( 0.000 0.000 1.630) 1.630 1.651 ( 0.000 0.000 -1.232) 1.232 1.696 ( 0.000 0.000 0.645) 0.645 1.708 ( 0.000 0.000 5.803) 5.803 1.754 ( 0.000 0.000 2.066) 2.066 1.793 ( 0.000 0.000 -2.925) 2.925 1.843 ( 0.000 0.000 0.874) 0.874 1.894 ( 0.000 0.000 4.466) 4.466 1.899 ( 0.000 0.000 -0.886) 0.886 2.029 ( 0.000 0.000 -2.986) 2.986 2.071 ( 0.000 0.000 -3.085) 3.085 2.076 ( 0.000 0.000 5.195) 5.195 2.104 ( 0.000 0.000 -0.990) 0.990 2.118 ( 0.000 0.000 -0.151) 0.151 2.165 ( 0.000 0.000 2.777) 2.777 2.244 ( 0.000 0.000 13.624) 13.624 2.276 ( 0.000 0.000 -2.313) 2.313 2.384 ( 0.000 0.000 0.734) 0.734 2.435 ( 0.000 0.000 11.691) 11.691 2.755 ( 0.000 0.000 -0.199) 0.199 2.777 ( 0.000 0.000 -2.936) 2.936 2.837 ( 0.000 0.000 -1.271) 1.271 2.895 ( 0.000 0.000 -1.833) 1.833 2.949 ( 0.000 0.000 10.557) 10.557 3.021 ( 0.000 0.000 12.675) 12.675 3.139 ( 0.000 0.000 3.213) 3.213 3.209 ( 0.000 0.000 2.540) 2.540 3.214 ( 0.000 0.000 8.621) 8.621 3.310 ( 0.000 0.000 6.946) 6.946 3.651 ( 0.000 0.000 3.975) 3.975 3.681 ( 0.000 0.000 0.142) 0.142 3.740 ( 0.000 0.000 -1.155) 1.155 3.769 ( 0.000 0.000 1.075) 1.075 3.871 ( 0.000 0.000 -2.053) 2.053 4.091 ( 0.000 0.000 -5.701) 5.701 4.169 ( 0.000 0.000 1.563) 1.563 4.354 ( 0.000 0.000 -2.288) 2.288 4.569 ( 0.000 0.000 -2.311) 2.311 4.737 ( 0.000 0.000 -0.837) 0.837 4.791 ( 0.000 0.000 -0.539) 0.539 4.901 ( 0.000 0.000 -2.855) 2.855 5.143 ( 0.000 0.000 1.372) 1.372 5.293 ( 0.000 0.000 2.879) 2.879 5.311 ( 0.000 0.000 -7.910) 7.910 5.452 ( 0.000 0.000 -10.551) 10.551 5.470 ( 0.000 0.000 -0.321) 0.321 5.594 ( 0.000 0.000 2.472) 2.472 5.721 ( 0.000 0.000 -3.885) 3.885 5.845 ( 0.000 0.000 -1.241) 1.241 6.080 ( 0.000 0.000 1.748) 1.748 6.207 ( 0.000 0.000 3.002) 3.002 6.583 ( 0.000 0.000 -3.687) 3.687 6.818 ( 0.000 0.000 -2.548) 2.548 6.908 ( 0.000 0.000 4.774) 4.774 7.001 ( 0.000 0.000 4.832) 4.832 7.232 ( 0.000 0.000 4.567) 4.567 7.236 ( 0.000 0.000 -0.706) 0.706 7.263 ( 0.000 0.000 -2.357) 2.357 7.320 ( 0.000 0.000 5.243) 5.243 7.498 ( 0.000 0.000 -1.355) 1.355 7.645 ( 0.000 0.000 -3.547) 3.547 8.035 ( 0.000 0.000 -2.986) 2.986 8.160 ( 0.000 0.000 -6.370) 6.370 8.198 ( 0.000 0.000 6.065) 6.065 8.305 ( 0.000 0.000 -1.602) 1.602 8.309 ( 0.000 0.000 1.910) 1.910 8.848 ( 0.000 0.000 2.812) 2.812 8.887 ( 0.000 0.000 -3.567) 3.567 8.935 ( 0.000 0.000 0.351) 0.351 8.965 ( 0.000 0.000 4.498) 4.498 8.968 ( 0.000 0.000 0.678) 0.678 9.020 ( 0.000 0.000 2.336) 2.336 9.155 ( 0.000 0.000 1.652) 1.652 9.184 ( 0.000 0.000 6.020) 6.020 9.282 ( 0.000 0.000 -3.465) 3.465 9.387 ( 0.000 0.000 -2.121) 2.121 9.404 ( 0.000 0.000 -4.362) 4.362 9.539 ( 0.000 0.000 2.691) 2.691 9.654 ( 0.000 0.000 5.661) 5.661 9.748 ( 0.000 0.000 -3.260) 3.260 9.804 ( 0.000 0.000 -1.161) 1.161 9.844 ( 0.000 0.000 1.214) 1.214 9.921 ( 0.000 0.000 6.246) 6.246 9.995 ( 0.000 0.000 -4.654) 4.654 10.034 ( 0.000 0.000 -3.502) 3.502 10.216 ( 0.000 0.000 -5.802) 5.802 10.262 ( 0.000 0.000 0.746) 0.746 10.306 ( 0.000 0.000 -4.024) 4.024 10.357 ( 0.000 0.000 -1.541) 1.541 10.449 ( 0.000 0.000 -0.758) 0.758 10.504 ( 0.000 0.000 4.245) 4.245 10.669 ( 0.000 0.000 1.657) 1.657 10.788 ( 0.000 0.000 -0.278) 0.278 10.802 ( 0.000 0.000 -12.749) 12.749 10.802 ( 0.000 0.000 -5.491) 5.491 10.815 ( 0.000 0.000 0.749) 0.749 10.960 ( 0.000 0.000 -6.642) 6.642 11.090 ( 0.000 0.000 3.116) 3.116 11.111 ( 0.000 0.000 5.493) 5.493 11.168 ( 0.000 0.000 0.246) 0.246 11.253 ( 0.000 0.000 5.239) 5.239 11.336 ( 0.000 0.000 -2.120) 2.120 11.354 ( 0.000 0.000 -4.171) 4.171 11.418 ( 0.000 0.000 -2.407) 2.407 11.523 ( 0.000 0.000 -5.577) 5.577 11.702 ( 0.000 0.000 4.439) 4.439 11.714 ( 0.000 0.000 4.534) 4.534 11.899 ( 0.000 0.000 2.005) 2.005 12.189 ( 0.000 0.000 -0.364) 0.364 12.338 ( 0.000 0.000 -0.689) 0.689 12.458 ( 0.000 0.000 -1.059) 1.059 12.484 ( 0.000 0.000 0.467) 0.467 12.549 ( 0.000 0.000 -2.636) 2.636 12.597 ( 0.000 0.000 -0.803) 0.803 12.938 ( 0.000 0.000 -3.456) 3.456 ======================= Grid point 26 (11/36) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 12.489 0.000 8.715) 15.230 0.487 ( 11.717 0.000 11.410) 16.355 0.732 ( 14.586 0.000 14.885) 20.840 0.896 ( -3.479 0.000 16.051) 16.424 0.913 ( -0.485 0.000 5.392) 5.414 0.959 ( 1.183 0.000 6.680) 6.784 1.086 ( -1.649 0.000 3.510) 3.878 1.121 ( -1.661 0.000 -2.893) 3.336 1.183 ( -0.222 0.000 3.838) 3.844 1.248 ( -4.741 0.000 3.178) 5.708 1.257 ( -1.535 0.000 0.549) 1.631 1.368 ( 0.305 0.000 8.835) 8.840 1.373 ( -0.107 0.000 8.558) 8.559 1.449 ( -5.506 0.000 2.559) 6.071 1.486 ( 0.653 0.000 -1.220) 1.383 1.565 ( 3.208 0.000 -0.599) 3.264 1.609 ( -0.472 0.000 1.364) 1.443 1.610 ( -2.341 0.000 -1.349) 2.702 1.697 ( 2.560 0.000 -0.519) 2.612 1.708 ( -1.127 0.000 -0.128) 1.134 1.722 ( 1.430 0.000 0.269) 1.455 1.754 ( 1.294 0.000 2.315) 2.652 1.833 ( 2.667 0.000 -2.620) 3.738 1.844 ( 0.515 0.000 0.091) 0.524 1.900 ( 0.801 0.000 2.229) 2.369 1.917 ( -0.830 0.000 3.614) 3.708 1.948 ( -5.750 0.000 1.219) 5.878 2.045 ( -2.262 0.000 -2.154) 3.124 2.055 ( 0.044 0.000 1.292) 1.293 2.062 ( -3.342 0.000 -0.421) 3.369 2.169 ( 1.701 0.000 3.894) 4.249 2.203 ( 1.431 0.000 0.233) 1.450 2.208 ( 0.278 0.000 9.414) 9.418 2.284 ( 1.612 0.000 -1.491) 2.196 2.411 ( 0.222 0.000 -1.677) 1.692 2.415 ( -1.945 0.000 10.441) 10.620 2.673 ( -1.021 0.000 16.964) 16.995 2.721 ( -4.533 0.000 -2.357) 5.109 2.733 ( -3.104 0.000 3.159) 4.429 2.880 ( 2.047 0.000 2.545) 3.266 2.947 ( 1.231 0.000 7.445) 7.546 3.193 ( -1.244 0.000 4.493) 4.662 3.208 ( 0.435 0.000 0.662) 0.792 3.246 ( 2.031 0.000 8.062) 8.314 3.322 ( 1.703 0.000 8.015) 8.194 3.528 ( 24.387 0.000 -10.003) 26.359 3.614 ( -4.020 0.000 3.794) 5.528 3.663 ( -1.093 0.000 2.075) 2.345 3.733 ( -2.696 0.000 1.135) 2.925 3.817 ( 6.510 0.000 -2.520) 6.981 4.064 ( -2.684 0.000 -5.505) 6.125 4.176 ( 9.010 0.000 -6.215) 10.945 4.235 ( 20.355 0.000 -8.283) 21.976 4.347 ( -0.887 0.000 -1.770) 1.979 4.552 ( -1.588 0.000 -2.706) 3.138 4.766 ( 2.007 0.000 -0.810) 2.164 4.812 ( 1.516 0.000 -2.394) 2.834 4.899 ( 0.898 0.000 -2.276) 2.447 5.175 ( 2.521 0.000 1.842) 3.122 5.232 ( -8.774 0.000 -8.348) 12.110 5.339 ( 4.333 0.000 0.686) 4.387 5.369 ( -7.447 0.000 -9.750) 12.269 5.406 ( -4.920 0.000 1.034) 5.027 5.638 ( 2.051 0.000 -0.263) 2.067 5.712 ( -0.576 0.000 -2.060) 2.139 5.831 ( -1.127 0.000 0.021) 1.127 6.089 ( 0.931 0.000 1.575) 1.829 6.192 ( -1.448 0.000 2.712) 3.074 6.577 ( -0.055 0.000 -2.899) 2.899 6.781 ( -3.650 0.000 -2.253) 4.290 6.908 ( 0.476 0.000 5.160) 5.182 6.988 ( -1.229 0.000 4.458) 4.624 7.234 ( -0.186 0.000 -0.843) 0.863 7.237 ( 0.221 0.000 2.841) 2.849 7.292 ( 1.650 0.000 -2.314) 2.841 7.325 ( 0.456 0.000 5.300) 5.320 7.515 ( 1.636 0.000 -1.457) 2.191 7.632 ( -1.293 0.000 -3.325) 3.568 8.056 ( 1.735 0.000 -2.717) 3.223 8.153 ( -0.819 0.000 -5.518) 5.579 8.223 ( 1.845 0.000 3.455) 3.917 8.293 ( -1.371 0.000 1.911) 2.353 8.349 ( 4.580 0.000 -1.718) 4.891 8.795 ( -5.460 0.000 -2.998) 6.229 8.875 ( -0.510 0.000 2.484) 2.536 8.905 ( -1.840 0.000 2.070) 2.769 8.971 ( 0.145 0.000 0.490) 0.510 8.989 ( 0.879 0.000 1.960) 2.148 9.019 ( 0.381 0.000 2.488) 2.517 9.121 ( -2.200 0.000 1.592) 2.715 9.214 ( 1.946 0.000 6.347) 6.639 9.309 ( 1.980 0.000 -1.005) 2.220 9.430 ( 4.176 0.000 -2.553) 4.894 9.437 ( 2.545 0.000 -3.126) 4.031 9.575 ( 3.542 0.000 0.529) 3.582 9.576 ( -10.527 0.000 10.676) 14.994 9.680 ( -1.588 0.000 5.995) 6.202 9.737 ( -1.137 0.000 -2.700) 2.930 9.881 ( 1.585 0.000 1.634) 2.276 9.908 ( -1.590 0.000 2.972) 3.371 9.961 ( -5.740 0.000 0.661) 5.778 9.963 ( -2.905 0.000 -0.637) 2.974 10.113 ( 0.929 0.000 -3.331) 3.458 10.256 ( -5.536 0.000 -1.908) 5.856 10.284 ( 0.024 0.000 -3.540) 3.540 10.335 ( -0.454 0.000 -3.831) 3.858 10.437 ( -0.854 0.000 -2.222) 2.381 10.523 ( 1.851 0.000 3.962) 4.373 10.632 ( -7.023 0.000 -8.635) 11.131 10.693 ( 1.563 0.000 1.685) 2.299 10.749 ( -4.379 0.000 0.788) 4.449 10.835 ( 0.614 0.000 1.717) 1.824 10.953 ( 0.200 0.000 -4.543) 4.547 10.988 ( 8.644 0.000 -7.729) 11.596 11.103 ( 1.167 0.000 3.862) 4.035 11.129 ( 1.826 0.000 5.758) 6.040 11.199 ( 2.358 0.000 -1.365) 2.725 11.244 ( -0.639 0.000 4.126) 4.175 11.285 ( -5.021 0.000 -1.740) 5.314 11.293 ( -4.732 0.000 6.524) 8.059 11.341 ( -0.622 0.000 -3.175) 3.235 11.581 ( -3.032 0.000 -4.793) 5.671 11.687 ( 3.100 0.000 -2.098) 3.743 11.846 ( 7.798 0.000 -1.252) 7.898 11.881 ( -1.742 0.000 1.542) 2.326 12.169 ( -1.847 0.000 -1.250) 2.230 12.219 ( -8.746 0.000 7.689) 11.645 12.233 ( -6.023 0.000 0.412) 6.037 12.556 ( 0.799 0.000 -2.519) 2.643 12.588 ( 0.206 0.000 -2.196) 2.206 12.680 ( 14.157 0.000 -1.799) 14.271 13.218 ( 6.889 0.000 -16.629) 18.000 ======================= Grid point 27 (12/36) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 6.634 0.000 16.486) 17.771 0.685 ( 11.259 0.000 3.857) 11.901 0.771 ( -8.191 0.000 13.680) 15.945 0.835 ( -3.599 0.000 1.738) 3.997 0.983 ( 2.050 0.000 4.647) 5.079 1.039 ( -3.336 0.000 3.889) 5.123 1.130 ( 2.820 0.000 4.093) 4.971 1.146 ( 11.536 0.000 4.985) 12.567 1.179 ( 0.120 0.000 4.236) 4.238 1.191 ( -1.839 0.000 6.419) 6.677 1.277 ( 3.264 0.000 -1.132) 3.455 1.323 ( -3.050 0.000 -0.099) 3.052 1.374 ( 0.742 0.000 7.054) 7.093 1.388 ( 1.688 0.000 9.099) 9.255 1.504 ( -4.423 0.000 3.420) 5.591 1.512 ( 1.154 0.000 0.755) 1.379 1.590 ( -2.193 0.000 0.152) 2.198 1.603 ( -1.502 0.000 -3.954) 4.230 1.709 ( 1.100 0.000 -0.702) 1.305 1.712 ( 0.416 0.000 -1.291) 1.356 1.735 ( -0.182 0.000 -1.163) 1.178 1.760 ( -0.248 0.000 -2.633) 2.645 1.799 ( -4.082 0.000 -0.239) 4.089 1.836 ( -3.324 0.000 -2.599) 4.219 1.876 ( -1.111 0.000 2.609) 2.836 1.882 ( -2.289 0.000 -0.086) 2.290 1.950 ( 3.061 0.000 -1.811) 3.557 1.999 ( -2.169 0.000 -0.000) 2.169 2.030 ( 0.975 0.000 2.775) 2.942 2.043 ( -0.201 0.000 4.093) 4.098 2.205 ( -0.011 0.000 -1.226) 1.227 2.205 ( 0.548 0.000 -0.764) 0.940 2.275 ( 5.432 0.000 12.847) 13.948 2.332 ( 2.628 0.000 -2.309) 3.498 2.365 ( -3.367 0.000 8.849) 9.468 2.384 ( -2.376 0.000 -4.011) 4.662 2.649 ( -2.049 0.000 -1.069) 2.311 2.652 ( -2.368 0.000 -0.287) 2.386 2.754 ( 5.168 0.000 17.051) 17.817 2.846 ( -3.930 0.000 12.900) 13.485 3.040 ( 6.319 0.000 -1.196) 6.431 3.152 ( -4.667 0.000 -1.269) 4.837 3.180 ( 0.386 0.000 7.989) 7.998 3.220 ( -3.384 0.000 7.680) 8.393 3.394 ( 5.476 0.000 9.279) 10.775 3.510 ( -6.077 0.000 6.543) 8.930 3.652 ( 0.136 0.000 2.888) 2.891 3.676 ( -2.355 0.000 2.151) 3.190 3.885 ( 7.339 0.000 -3.310) 8.051 3.992 ( -4.536 0.000 -4.741) 6.561 4.116 ( 25.288 0.000 -7.426) 26.356 4.252 ( 3.681 0.000 0.882) 3.785 4.314 ( -2.571 0.000 -0.386) 2.600 4.477 ( -8.828 0.000 -4.454) 9.888 4.636 ( 12.881 0.000 -7.041) 14.680 4.769 ( -3.004 0.000 -2.296) 3.781 4.862 ( 5.120 0.000 -6.086) 7.953 4.965 ( 7.036 0.000 -4.847) 8.544 5.004 ( -11.102 0.000 -5.884) 12.565 5.183 ( -11.847 0.000 -9.930) 15.459 5.232 ( 3.440 0.000 2.360) 4.172 5.311 ( -4.629 0.000 1.983) 5.035 5.449 ( 6.697 0.000 -0.868) 6.753 5.583 ( -6.325 0.000 -2.964) 6.985 5.749 ( 3.138 0.000 1.897) 3.667 5.801 ( -2.095 0.000 1.205) 2.416 6.116 ( 1.804 0.000 1.344) 2.249 6.156 ( -2.137 0.000 1.755) 2.765 6.605 ( 3.200 0.000 -1.670) 3.610 6.691 ( -5.067 0.000 -1.574) 5.306 6.928 ( 1.436 0.000 4.381) 4.611 6.959 ( -1.662 0.000 4.015) 4.345 7.231 ( -0.014 0.000 -1.087) 1.087 7.235 ( -0.325 0.000 -0.389) 0.507 7.317 ( 1.052 0.000 2.432) 2.650 7.330 ( -0.165 0.000 4.837) 4.840 7.554 ( 2.262 0.000 -1.966) 2.997 7.598 ( -2.117 0.000 -2.707) 3.437 8.092 ( 1.846 0.000 -2.119) 2.810 8.127 ( -1.721 0.000 -3.430) 3.838 8.250 ( 0.936 0.000 1.549) 1.810 8.267 ( -1.065 0.000 1.559) 1.888 8.481 ( 8.555 0.000 -2.564) 8.931 8.654 ( -8.556 0.000 -3.844) 9.380 8.870 ( -0.035 0.000 3.408) 3.408 8.878 ( -0.918 0.000 2.721) 2.872 8.975 ( 0.330 0.000 0.824) 0.888 8.985 ( -0.661 0.000 1.160) 1.335 9.044 ( 1.753 0.000 1.715) 2.452 9.081 ( -1.961 0.000 1.168) 2.283 9.254 ( 2.231 0.000 8.497) 8.786 9.304 ( -2.578 0.000 9.455) 9.800 9.471 ( 0.275 0.000 -2.566) 2.581 9.474 ( 0.884 0.000 -2.916) 3.048 9.540 ( 5.601 0.000 -2.631) 6.188 9.623 ( -1.241 0.000 -3.243) 3.472 9.692 ( 2.058 0.000 5.201) 5.593 9.722 ( 0.281 0.000 0.736) 0.788 9.849 ( -2.830 0.000 -2.920) 4.067 9.874 ( -3.368 0.000 -1.017) 3.518 9.910 ( 0.592 0.000 2.378) 2.451 9.922 ( -0.909 0.000 5.743) 5.815 10.120 ( -0.213 0.000 -4.043) 4.049 10.151 ( -3.906 0.000 -2.095) 4.433 10.321 ( 2.959 0.000 -2.941) 4.172 10.338 ( 0.389 0.000 -3.721) 3.741 10.423 ( 0.568 0.000 -3.954) 3.994 10.501 ( -6.263 0.000 -6.740) 9.201 10.577 ( 3.698 0.000 2.833) 4.659 10.660 ( -4.579 0.000 1.546) 4.833 10.743 ( 3.140 0.000 2.457) 3.987 10.805 ( -2.966 0.000 2.870) 4.127 11.001 ( 4.565 0.000 -3.224) 5.589 11.086 ( -0.713 0.000 -4.669) 4.723 11.134 ( 1.924 0.000 4.491) 4.885 11.144 ( -0.067 0.000 5.887) 5.888 11.184 ( -3.075 0.000 1.210) 3.305 11.193 ( -2.801 0.000 3.667) 4.614 11.274 ( 1.879 0.000 -0.861) 2.067 11.287 ( 3.002 0.000 0.667) 3.075 11.338 ( 2.570 0.000 -3.745) 4.542 11.469 ( -7.396 0.000 -3.380) 8.132 11.761 ( 3.974 0.000 -0.951) 4.087 11.833 ( -3.193 0.000 0.495) 3.232 11.985 ( 6.612 0.000 -2.943) 7.237 12.104 ( -5.440 0.000 -3.096) 6.259 12.139 ( -1.011 0.000 3.639) 3.777 12.149 ( -1.933 0.000 2.216) 2.940 12.575 ( 0.960 0.000 -2.695) 2.861 12.588 ( -0.320 0.000 -2.629) 2.649 12.961 ( 13.718 0.000 -5.069) 14.624 13.182 ( -8.101 0.000 -9.836) 12.743 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.000 18.429 3.055) 18.681 0.481 ( 0.000 13.611 10.525) 17.206 0.799 ( 0.000 11.806 16.738) 20.482 0.866 ( 0.000 1.192 6.428) 6.537 0.879 ( 0.000 -6.367 10.203) 12.027 1.029 ( 0.000 3.736 9.490) 10.199 1.110 ( 0.000 -2.496 -2.765) 3.725 1.143 ( 0.000 3.475 2.911) 4.533 1.199 ( 0.000 -0.653 3.742) 3.799 1.272 ( 0.000 -0.621 1.091) 1.256 1.312 ( 0.000 -3.441 10.407) 10.961 1.333 ( 0.000 -1.498 0.442) 1.562 1.349 ( 0.000 -2.646 7.592) 8.040 1.451 ( 0.000 -4.632 0.418) 4.651 1.458 ( 0.000 -2.685 -0.829) 2.810 1.521 ( 0.000 2.955 -0.372) 2.978 1.552 ( 0.000 -5.597 -0.172) 5.599 1.615 ( 0.000 -0.921 0.581) 1.089 1.663 ( 0.000 -0.585 2.126) 2.205 1.686 ( 0.000 1.982 2.028) 2.836 1.710 ( 0.000 1.252 6.738) 6.853 1.743 ( 0.000 -5.057 1.266) 5.213 1.791 ( 0.000 -3.459 1.520) 3.778 1.829 ( 0.000 3.624 -0.021) 3.624 1.917 ( 0.000 1.993 0.471) 2.048 1.920 ( 0.000 2.515 3.172) 4.048 1.999 ( 0.000 -3.765 5.738) 6.863 2.040 ( 0.000 0.176 -1.440) 1.451 2.070 ( 0.000 -1.105 -0.227) 1.128 2.093 ( 0.000 -1.670 -0.802) 1.853 2.166 ( 0.000 -0.134 10.295) 10.296 2.167 ( 0.000 4.869 -4.347) 6.527 2.219 ( 0.000 0.195 -1.703) 1.714 2.323 ( 0.000 -7.487 8.529) 11.349 2.337 ( 0.000 2.937 4.598) 5.456 2.403 ( 0.000 -2.953 8.482) 8.981 2.739 ( 0.000 -0.796 -0.533) 0.958 2.753 ( 0.000 -1.836 -2.302) 2.945 2.844 ( 0.000 1.669 15.002) 15.094 2.871 ( 0.000 -1.023 1.879) 2.140 2.904 ( 0.000 0.210 -2.045) 2.056 3.049 ( 0.000 7.410 14.315) 16.119 3.063 ( 0.000 -7.481 7.719) 10.749 3.186 ( 0.000 6.647 0.193) 6.650 3.363 ( 0.000 7.716 3.216) 8.359 3.373 ( 0.000 6.209 6.879) 9.267 3.552 ( 0.000 -11.206 3.729) 11.810 3.606 ( 0.000 -14.236 -1.945) 14.368 3.636 ( 0.000 -4.217 0.714) 4.277 3.719 ( 0.000 -9.806 4.475) 10.779 3.802 ( 0.000 6.550 -0.766) 6.594 4.109 ( 0.000 -3.157 -2.643) 4.117 4.203 ( 0.000 3.373 1.128) 3.557 4.341 ( 0.000 -1.853 -1.661) 2.489 4.626 ( 0.000 5.451 -2.138) 5.856 4.745 ( 0.000 0.727 -0.714) 1.019 4.792 ( 0.000 -0.210 -0.479) 0.523 4.860 ( 0.000 -4.058 -2.802) 4.931 5.186 ( 0.000 4.615 -0.841) 4.691 5.307 ( 0.000 1.763 0.121) 1.767 5.324 ( 0.000 -0.250 -8.569) 8.572 5.436 ( 0.000 -3.587 0.110) 3.589 5.503 ( 0.000 4.631 -8.855) 9.993 5.640 ( 0.000 4.486 2.235) 5.012 5.693 ( 0.000 -3.211 -4.674) 5.671 5.810 ( 0.000 -3.102 0.230) 3.111 6.098 ( 0.000 1.781 1.852) 2.569 6.187 ( 0.000 -2.040 2.749) 3.424 6.617 ( 0.000 3.407 -3.821) 5.120 6.777 ( 0.000 -3.518 -3.001) 4.624 6.903 ( 0.000 0.385 4.873) 4.888 6.973 ( 0.000 -2.535 4.578) 5.233 7.253 ( 0.000 1.679 2.222) 2.785 7.262 ( 0.000 0.345 -0.758) 0.833 7.278 ( 0.000 0.864 0.873) 1.228 7.328 ( 0.000 -0.915 -4.206) 4.305 7.560 ( 0.000 4.150 -2.191) 4.693 7.639 ( 0.000 -0.760 -2.949) 3.046 8.059 ( 0.000 2.247 -3.178) 3.892 8.148 ( 0.000 -1.479 -5.906) 6.088 8.234 ( 0.000 3.080 4.308) 5.295 8.319 ( 0.000 -0.042 0.937) 0.938 8.379 ( 0.000 8.157 -1.198) 8.245 8.797 ( 0.000 -8.811 -2.755) 9.232 8.858 ( 0.000 1.104 2.915) 3.117 8.921 ( 0.000 -1.332 0.917) 1.617 8.964 ( 0.000 0.132 0.508) 0.525 9.003 ( 0.000 3.045 3.788) 4.860 9.005 ( 0.000 -1.927 1.731) 2.590 9.121 ( 0.000 -2.672 0.797) 2.788 9.191 ( 0.000 1.182 6.598) 6.703 9.286 ( 0.000 0.637 -2.660) 2.735 9.316 ( 0.000 -2.754 -0.520) 2.802 9.406 ( 0.000 -5.988 6.284) 8.680 9.550 ( 0.000 1.347 7.376) 7.498 9.638 ( 0.000 -1.496 5.664) 5.858 9.787 ( 0.000 1.901 -2.506) 3.145 9.795 ( 0.000 -0.810 -1.113) 1.377 9.845 ( 0.000 4.370 -0.966) 4.475 9.912 ( 0.000 -1.897 2.515) 3.150 9.943 ( 0.000 2.645 4.654) 5.354 10.005 ( 0.000 -2.279 -2.095) 3.096 10.151 ( 0.000 7.012 -2.766) 7.538 10.189 ( 0.000 -1.876 -4.565) 4.935 10.365 ( 0.000 -5.344 -2.567) 5.929 10.371 ( 0.000 0.610 -2.143) 2.228 10.517 ( 0.000 1.502 3.567) 3.871 10.601 ( 0.000 1.223 -8.837) 8.921 10.627 ( 0.000 -3.773 1.218) 3.965 10.690 ( 0.000 -8.236 -9.165) 12.322 10.803 ( 0.000 1.017 -0.179) 1.033 10.818 ( 0.000 0.039 -0.104) 0.111 10.878 ( 0.000 7.259 -9.450) 11.916 10.993 ( 0.000 1.221 -8.322) 8.412 11.087 ( 0.000 -0.243 2.927) 2.937 11.089 ( 0.000 -0.800 3.437) 3.529 11.233 ( 0.000 3.917 0.694) 3.978 11.242 ( 0.000 -0.958 3.617) 3.741 11.281 ( 0.000 -1.803 2.822) 3.349 11.369 ( 0.000 -0.013 -3.795) 3.795 11.436 ( 0.000 2.606 -3.165) 4.100 11.531 ( 0.000 -0.663 -8.804) 8.829 11.739 ( 0.000 2.352 4.005) 4.645 11.786 ( 0.000 2.310 -1.367) 2.684 11.993 ( 0.000 9.324 0.943) 9.372 12.185 ( 0.000 -0.485 1.198) 1.292 12.308 ( 0.000 -2.918 -1.312) 3.200 12.359 ( 0.000 -6.931 3.707) 7.860 12.493 ( 0.000 0.958 -0.620) 1.141 12.539 ( 0.000 -1.010 -2.528) 2.723 12.636 ( 0.000 4.635 -1.135) 4.772 12.885 ( 0.000 -5.397 -3.037) 6.193 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 7.762 7.893 5.807) 12.501 0.594 ( 4.944 9.087 13.445) 16.964 0.811 ( -0.020 -2.420 4.708) 5.294 0.897 ( 2.936 2.308 8.219) 9.028 0.924 ( 5.118 2.408 7.895) 9.713 1.012 ( -2.154 2.642 6.741) 7.554 1.113 ( 0.307 1.659 0.195) 1.698 1.143 ( 0.165 3.965 6.166) 7.333 1.175 ( -1.031 -0.551 2.769) 3.006 1.243 ( -1.587 0.684 2.810) 3.299 1.270 ( -3.767 0.176 2.078) 4.306 1.306 ( -0.290 -4.750 8.374) 9.631 1.327 ( -4.396 -5.280 0.675) 6.904 1.391 ( -2.363 -3.554 7.693) 8.798 1.459 ( -1.759 -4.160 -1.610) 4.795 1.524 ( -1.170 -2.377 1.439) 3.015 1.568 ( 1.932 -0.169 -0.554) 2.016 1.633 ( 0.829 -0.563 -0.028) 1.002 1.671 ( 0.420 0.078 1.188) 1.262 1.713 ( 2.341 0.493 1.198) 2.675 1.741 ( 0.692 0.378 0.585) 0.982 1.765 ( 0.511 -3.435 0.329) 3.488 1.830 ( 4.829 1.988 1.018) 5.321 1.859 ( 2.909 0.584 -0.201) 2.973 1.900 ( -0.176 1.651 2.755) 3.217 1.927 ( -1.106 0.453 4.466) 4.623 1.950 ( -3.408 -0.380 2.036) 3.988 2.003 ( -4.021 -1.240 0.497) 4.237 2.069 ( 1.014 0.111 -1.455) 1.777 2.103 ( -1.721 0.779 -1.046) 2.160 2.154 ( -0.436 1.045 -1.173) 1.630 2.174 ( 0.568 -1.527 6.778) 6.971 2.218 ( 2.065 1.466 1.872) 3.149 2.284 ( -1.530 -6.908 6.286) 9.464 2.339 ( 0.188 1.648 4.642) 4.929 2.406 ( 1.504 -1.746 2.256) 3.225 2.710 ( -3.440 -0.605 -0.682) 3.559 2.720 ( -3.509 -0.288 -1.607) 3.870 2.799 ( -0.242 7.873 15.584) 17.462 2.943 ( 5.020 5.437 -0.523) 7.418 2.984 ( -2.502 4.178 9.974) 11.099 3.087 ( 2.358 -4.514 8.675) 10.060 3.182 ( 4.916 -4.974 -1.487) 7.150 3.321 ( -2.029 1.845 6.302) 6.873 3.388 ( 3.027 6.715 5.082) 8.949 3.479 ( 24.395 0.591 -2.878) 24.571 3.525 ( -1.831 -7.355 4.277) 8.703 3.613 ( -0.504 -4.778 2.337) 5.343 3.678 ( 1.836 -5.428 1.211) 5.856 3.785 ( 2.076 -3.348 -0.837) 4.028 3.978 ( 22.278 -9.383 -5.031) 24.691 4.102 ( 1.704 -3.986 -3.075) 5.315 4.199 ( 0.359 0.851 2.191) 2.378 4.324 ( -1.718 -2.763 -0.822) 3.356 4.615 ( -0.787 5.092 -2.811) 5.870 4.768 ( 0.644 -0.664 -1.015) 1.373 4.801 ( 1.452 -0.312 -1.787) 2.323 4.872 ( 1.603 -2.232 -1.783) 3.276 5.206 ( 0.794 3.160 -1.998) 3.822 5.255 ( -7.095 1.354 -7.951) 10.742 5.307 ( -1.859 -0.436 -2.648) 3.265 5.395 ( -4.144 -0.854 -1.488) 4.485 5.453 ( -1.841 5.258 -3.495) 6.577 5.650 ( -1.289 0.091 -2.067) 2.437 5.690 ( 1.245 -1.264 -0.073) 1.776 5.801 ( -0.832 -2.877 0.561) 3.047 6.107 ( 0.893 1.763 1.683) 2.596 6.181 ( -0.594 -1.254 2.507) 2.865 6.604 ( -0.840 2.746 -3.078) 4.210 6.742 ( -3.298 -3.309 -2.338) 5.224 6.906 ( 0.496 0.341 4.586) 4.625 6.965 ( -0.798 -2.135 4.072) 4.666 7.232 ( -1.741 -0.118 -2.092) 2.724 7.258 ( -1.819 0.164 -1.362) 2.278 7.269 ( 0.650 -0.137 3.935) 3.990 7.318 ( -0.576 -1.777 2.140) 2.840 7.577 ( 1.879 4.661 -2.019) 5.416 7.660 ( 1.010 1.478 -4.643) 4.977 8.070 ( 1.022 1.419 -2.992) 3.466 8.140 ( -0.826 -1.398 -5.148) 5.398 8.235 ( 0.193 1.671 3.313) 3.715 8.302 ( -1.532 -0.078 1.517) 2.158 8.418 ( 3.858 7.156 -1.399) 8.249 8.752 ( -4.070 -5.708 -2.981) 7.618 8.865 ( 0.314 0.028 2.745) 2.763 8.904 ( -1.403 -0.473 1.155) 1.878 8.968 ( 0.655 0.647 0.617) 1.109 9.010 ( 0.956 0.670 2.983) 3.203 9.023 ( 0.679 0.535 2.051) 2.226 9.100 ( -1.695 -1.892 0.981) 2.723 9.213 ( 1.770 0.543 7.221) 7.455 9.302 ( 0.991 -0.187 0.379) 1.077 9.346 ( 2.648 -4.557 0.887) 5.344 9.412 ( 0.991 -5.336 3.546) 6.483 9.548 ( 0.088 2.291 6.043) 6.464 9.628 ( -0.520 -0.265 4.269) 4.309 9.740 ( -0.088 6.271 -2.140) 6.627 9.803 ( -1.348 5.055 -1.935) 5.578 9.874 ( 1.175 -0.638 0.922) 1.624 9.901 ( -0.737 -0.525 -0.481) 1.025 9.937 ( -1.176 0.375 3.662) 3.864 9.971 ( -3.234 -1.009 -1.028) 3.540 10.145 ( -0.291 3.476 -3.921) 5.248 10.207 ( 2.213 0.196 -3.207) 3.901 10.308 ( -5.835 2.394 -2.219) 6.686 10.357 ( -0.611 -5.102 -3.099) 6.001 10.486 ( -6.989 2.751 -5.553) 9.341 10.545 ( 1.019 2.359 2.329) 3.468 10.579 ( -6.198 -4.907 -8.027) 11.267 10.657 ( 1.089 -2.958 1.587) 3.529 10.777 ( -3.314 1.731 0.827) 3.829 10.822 ( 0.429 -1.370 1.173) 1.854 10.934 ( 4.055 0.576 -5.596) 6.935 10.996 ( 2.062 0.013 -5.912) 6.262 11.092 ( 0.517 -0.814 2.326) 2.518 11.102 ( 1.005 -1.049 3.545) 3.831 11.214 ( -1.961 0.839 3.531) 4.125 11.250 ( -0.927 -1.152 3.797) 4.075 11.277 ( -0.585 0.249 1.559) 1.684 11.314 ( -3.987 0.338 -1.317) 4.212 11.401 ( 0.349 7.131 -4.667) 8.530 11.599 ( 2.410 -0.554 -7.513) 7.910 11.734 ( -0.023 4.069 0.856) 4.158 11.810 ( 2.155 -1.487 0.426) 2.653 11.955 ( -2.965 5.466 -0.568) 6.245 12.151 ( -7.998 -4.833 2.061) 9.570 12.168 ( -1.902 0.155 0.484) 1.969 12.235 ( -5.311 -1.492 4.784) 7.303 12.553 ( 1.202 -0.255 -2.351) 2.653 12.567 ( 2.223 -1.235 -2.183) 3.351 12.755 ( 11.663 6.869 -2.945) 13.853 13.104 ( 9.205 -9.777 -10.529) 17.064 ======================= Grid point 32 (15/36) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 8.651 2.082 8.205) 12.104 0.718 ( 9.688 4.330 7.623) 13.066 0.770 ( -5.037 1.711 9.553) 10.935 0.887 ( -4.248 1.061 2.896) 5.250 0.967 ( 0.243 -0.546 2.834) 2.896 0.999 ( -1.072 -4.147 3.845) 5.756 1.098 ( -1.488 -1.385 2.010) 2.859 1.128 ( -4.087 -7.436 4.273) 9.500 1.162 ( 1.175 0.459 7.194) 7.303 1.214 ( -3.575 0.846 7.482) 8.335 1.255 ( 4.968 -1.994 0.413) 5.369 1.296 ( 1.928 -0.059 2.059) 2.821 1.318 ( 0.583 -2.811 5.438) 6.149 1.355 ( -2.783 -5.465 6.002) 8.582 1.453 ( 3.773 0.548 -1.039) 3.952 1.501 ( -0.512 -1.185 1.031) 1.652 1.574 ( -0.784 0.328 1.630) 1.838 1.612 ( -3.001 0.646 1.651) 3.485 1.707 ( 2.468 0.447 -1.927) 3.163 1.743 ( -0.113 0.792 -0.345) 0.871 1.753 ( 1.528 0.354 -0.994) 1.857 1.785 ( 2.579 0.662 -1.098) 2.880 1.818 ( -5.026 0.818 -1.316) 5.259 1.865 ( -3.724 2.114 -1.259) 4.464 1.896 ( 0.738 2.611 0.834) 2.839 1.920 ( 1.405 1.078 -1.283) 2.187 1.952 ( 0.086 0.630 0.881) 1.086 1.963 ( -0.632 -2.062 3.681) 4.266 2.052 ( -0.103 2.303 -0.554) 2.371 2.072 ( -1.003 2.498 0.563) 2.750 2.161 ( 0.337 -2.835 -0.331) 2.874 2.167 ( -0.382 -2.746 -1.118) 2.989 2.277 ( 2.050 -0.880 4.851) 5.339 2.284 ( 0.822 -3.706 3.204) 4.968 2.372 ( 3.029 2.971 3.479) 5.487 2.420 ( -0.868 0.388 2.963) 3.112 2.645 ( -1.967 -0.269 -0.595) 2.072 2.651 ( -2.580 -0.353 -0.572) 2.666 2.820 ( 2.302 5.508 15.579) 16.684 2.889 ( -4.590 3.852 13.672) 14.928 3.061 ( 4.725 2.297 -1.200) 5.389 3.114 ( -0.268 -2.019 3.511) 4.059 3.204 ( 0.284 2.446 4.501) 5.131 3.250 ( -3.799 0.284 7.303) 8.237 3.445 ( 2.777 4.088 7.163) 8.703 3.488 ( -1.771 -1.390 5.992) 6.401 3.615 ( 1.291 -2.565 2.681) 3.929 3.658 ( -2.245 -1.551 2.237) 3.529 3.833 ( 3.245 -5.454 -1.333) 6.485 3.869 ( 3.732 -6.658 -1.818) 7.846 4.188 ( 11.361 1.155 -3.594) 11.972 4.235 ( 9.550 0.757 -1.070) 9.640 4.274 ( -1.728 -3.086 0.713) 3.608 4.469 ( 8.265 -3.902 -5.355) 10.593 4.611 ( 4.778 0.235 -6.189) 7.823 4.744 ( -3.348 -2.852 -2.987) 5.317 4.856 ( 4.790 0.288 -4.086) 6.303 4.925 ( 4.502 -2.587 -2.121) 5.609 5.016 ( -12.255 0.954 -6.661) 13.981 5.129 ( -12.954 -4.655 -8.995) 16.443 5.274 ( 2.353 3.837 0.999) 4.611 5.329 ( -3.022 1.695 0.131) 3.467 5.488 ( 4.254 3.338 -0.512) 5.431 5.581 ( -4.716 -0.497 -2.051) 5.166 5.736 ( 2.489 -1.044 1.808) 3.249 5.777 ( -1.683 -2.283 1.183) 3.073 6.131 ( 1.553 1.396 1.472) 2.555 6.162 ( -1.398 0.315 1.769) 2.277 6.608 ( 1.678 0.468 -1.725) 2.452 6.667 ( -3.945 -2.102 -1.461) 4.702 6.922 ( 1.047 -0.370 3.625) 3.791 6.944 ( -1.186 -1.333 3.326) 3.774 7.208 ( -0.469 -1.673 -1.616) 2.373 7.218 ( -1.547 -1.817 -2.173) 3.227 7.290 ( 1.171 -1.198 5.515) 5.764 7.308 ( -0.643 -1.719 5.411) 5.714 7.622 ( 2.337 5.246 -3.190) 6.570 7.658 ( -1.161 4.327 -4.375) 6.262 8.093 ( 1.295 0.117 -2.927) 3.203 8.119 ( -1.262 -0.926 -3.777) 4.089 8.245 ( 0.918 0.142 2.103) 2.299 8.270 ( -1.566 -0.184 1.805) 2.397 8.522 ( 6.477 3.834 -2.066) 7.806 8.650 ( -6.202 -1.084 -2.918) 6.939 8.868 ( 0.212 0.022 2.250) 2.260 8.879 ( -0.964 0.038 1.563) 1.837 8.990 ( 1.454 1.699 1.119) 2.500 9.016 ( -1.013 2.141 1.767) 2.956 9.035 ( 1.358 -0.810 2.103) 2.631 9.066 ( -1.703 -1.380 1.330) 2.564 9.249 ( 1.822 -0.009 9.013) 9.195 9.286 ( -1.973 -1.246 10.010) 10.279 9.415 ( 3.500 -3.442 -3.806) 6.212 9.443 ( 0.889 -3.129 -4.076) 5.215 9.580 ( 3.245 2.540 2.497) 4.818 9.628 ( -0.388 0.040 3.194) 3.218 9.746 ( -0.880 4.476 -1.080) 4.687 9.772 ( -1.636 3.843 -1.228) 4.353 9.860 ( -0.364 1.447 -2.687) 3.074 9.892 ( -0.497 -0.012 3.565) 3.599 9.907 ( -0.955 0.371 0.450) 1.119 9.923 ( -1.572 0.622 1.159) 2.049 10.143 ( 0.583 2.975 -3.260) 4.452 10.191 ( -4.564 3.927 -2.495) 6.518 10.279 ( 4.190 -1.175 -3.844) 5.807 10.361 ( -2.887 -0.976 -4.343) 5.306 10.369 ( 0.302 -4.918 -3.132) 5.838 10.456 ( -5.955 -4.760 -5.906) 9.644 10.599 ( 3.508 2.178 2.816) 4.998 10.665 ( -2.187 0.134 2.291) 3.170 10.741 ( 1.254 0.115 2.088) 2.438 10.793 ( -2.830 -1.356 2.578) 4.061 11.005 ( 4.350 0.611 -3.423) 5.569 11.083 ( 2.780 -1.213 -5.240) 6.054 11.088 ( -0.644 -2.933 0.831) 3.116 11.120 ( 0.390 -2.167 2.105) 3.046 11.171 ( -0.890 1.229 4.124) 4.394 11.207 ( -3.669 0.074 4.261) 5.623 11.236 ( -0.208 -0.592 2.536) 2.612 11.263 ( -2.351 -2.338 -0.686) 3.386 11.467 ( 5.245 9.528 -4.146) 11.640 11.570 ( -4.533 7.021 -4.088) 9.303 11.769 ( 3.094 1.042 -0.732) 3.346 11.823 ( -1.759 -0.766 1.229) 2.279 11.946 ( 2.847 -3.668 -3.772) 5.983 12.029 ( -5.106 -6.120 -2.962) 8.503 12.148 ( -0.036 0.882 3.294) 3.410 12.168 ( -2.102 0.612 4.303) 4.828 12.577 ( 1.114 0.278 -2.680) 2.916 12.588 ( 0.184 -0.070 -2.640) 2.647 12.985 ( 10.670 2.589 -5.623) 12.336 13.139 ( -4.279 -4.059 -8.701) 10.511 ======================= Grid point 35 (16/36) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.000 -0.663 6.664) 6.697 0.685 ( 0.000 0.663 6.664) 6.697 0.750 ( 0.000 -2.220 6.801) 7.154 0.750 ( 0.000 2.220 6.801) 7.154 1.054 ( 0.000 -3.810 -0.678) 3.869 1.054 ( 0.000 3.810 -0.678) 3.869 1.122 ( 0.000 -8.870 8.400) 12.216 1.122 ( 0.000 8.870 8.400) 12.216 1.234 ( 0.000 -5.445 6.700) 8.633 1.234 ( 0.000 5.445 6.700) 8.633 1.293 ( 0.000 -2.486 0.516) 2.539 1.293 ( 0.000 2.486 0.516) 2.539 1.358 ( 0.000 -6.354 2.240) 6.738 1.358 ( 0.000 6.354 2.240) 6.738 1.433 ( 0.000 -2.760 1.636) 3.208 1.433 ( 0.000 2.760 1.636) 3.208 1.582 ( 0.000 -2.846 3.371) 4.412 1.582 ( 0.000 2.846 3.371) 4.412 1.666 ( 0.000 -1.446 0.434) 1.510 1.666 ( 0.000 1.446 0.434) 1.510 1.724 ( 0.000 -1.524 0.998) 1.821 1.724 ( 0.000 1.524 0.998) 1.821 1.807 ( 0.000 -4.181 8.963) 9.890 1.807 ( 0.000 4.181 8.963) 9.890 1.944 ( 0.000 -0.406 1.586) 1.637 1.944 ( 0.000 0.406 1.586) 1.637 2.025 ( 0.000 -4.205 -0.654) 4.255 2.025 ( 0.000 4.205 -0.654) 4.255 2.050 ( 0.000 -0.301 -1.540) 1.569 2.050 ( 0.000 0.301 -1.540) 1.569 2.191 ( 0.000 -3.541 11.624) 12.151 2.191 ( 0.000 3.541 11.624) 12.151 2.234 ( 0.000 -0.088 -3.093) 3.094 2.234 ( 0.000 0.088 -3.093) 3.094 2.367 ( 0.000 -1.040 5.322) 5.422 2.367 ( 0.000 1.040 5.322) 5.422 2.732 ( 0.000 -0.226 -1.315) 1.334 2.732 ( 0.000 0.226 -1.315) 1.334 2.883 ( 0.000 -2.256 0.538) 2.320 2.883 ( 0.000 2.256 0.538) 2.320 2.939 ( 0.000 -5.625 7.938) 9.729 2.939 ( 0.000 5.625 7.938) 9.729 3.275 ( 0.000 -15.339 8.825) 17.696 3.275 ( 0.000 15.339 8.825) 17.696 3.353 ( 0.000 -11.321 -1.303) 11.396 3.353 ( 0.000 11.321 -1.303) 11.396 3.479 ( 0.000 -0.462 3.105) 3.139 3.479 ( 0.000 0.462 3.105) 3.139 3.574 ( 0.000 -2.697 5.819) 6.413 3.574 ( 0.000 2.697 5.819) 6.413 3.968 ( 0.000 -10.018 -0.602) 10.036 3.968 ( 0.000 10.018 -0.602) 10.036 4.279 ( 0.000 -4.255 0.059) 4.255 4.279 ( 0.000 4.255 0.059) 4.255 4.736 ( 0.000 -4.397 -1.736) 4.727 4.736 ( 0.000 4.397 -1.736) 4.727 4.786 ( 0.000 -0.895 -1.243) 1.532 4.786 ( 0.000 0.895 -1.243) 1.532 5.285 ( 0.000 -4.344 -5.488) 6.999 5.285 ( 0.000 4.344 -5.488) 6.999 5.357 ( 0.000 -3.776 -0.396) 3.797 5.357 ( 0.000 3.776 -0.396) 3.797 5.605 ( 0.000 -5.722 -6.625) 8.753 5.605 ( 0.000 5.722 -6.625) 8.753 5.734 ( 0.000 -4.901 1.210) 5.048 5.734 ( 0.000 4.901 1.210) 5.048 6.141 ( 0.000 -2.602 2.229) 3.426 6.141 ( 0.000 2.602 2.229) 3.426 6.697 ( 0.000 -4.722 -3.756) 6.034 6.697 ( 0.000 4.722 -3.756) 6.034 6.926 ( 0.000 -2.062 4.402) 4.861 6.926 ( 0.000 2.062 4.402) 4.861 7.276 ( 0.000 -0.871 -0.704) 1.120 7.276 ( 0.000 0.871 -0.704) 1.120 7.290 ( 0.000 -2.235 -0.170) 2.241 7.290 ( 0.000 2.235 -0.170) 2.241 7.614 ( 0.000 -1.909 -2.214) 2.923 7.614 ( 0.000 1.909 -2.214) 2.923 8.107 ( 0.000 -2.649 -4.311) 5.060 8.107 ( 0.000 2.649 -4.311) 5.060 8.291 ( 0.000 -2.680 1.888) 3.278 8.291 ( 0.000 2.680 1.888) 3.278 8.586 ( 0.000 -12.559 -1.406) 12.637 8.586 ( 0.000 12.559 -1.406) 12.637 8.889 ( 0.000 -1.993 2.521) 3.214 8.889 ( 0.000 1.993 2.521) 3.214 8.972 ( 0.000 -0.981 0.394) 1.057 8.972 ( 0.000 0.981 0.394) 1.057 9.066 ( 0.000 -3.310 1.583) 3.669 9.066 ( 0.000 3.310 1.583) 3.669 9.247 ( 0.000 -4.742 8.824) 10.018 9.247 ( 0.000 4.742 8.824) 10.018 9.309 ( 0.000 -2.127 -0.432) 2.170 9.309 ( 0.000 2.127 -0.432) 2.170 9.598 ( 0.000 -2.769 6.175) 6.767 9.598 ( 0.000 2.769 6.175) 6.767 9.808 ( 0.000 -0.114 -2.942) 2.944 9.808 ( 0.000 0.114 -2.942) 2.944 9.898 ( 0.000 -1.101 1.804) 2.113 9.898 ( 0.000 1.101 1.804) 2.113 9.985 ( 0.000 -0.293 -1.789) 1.813 9.985 ( 0.000 0.293 -1.789) 1.813 10.217 ( 0.000 -5.123 -0.632) 5.162 10.217 ( 0.000 5.123 -0.632) 5.162 10.324 ( 0.000 -5.820 -3.863) 6.986 10.324 ( 0.000 5.820 -3.863) 6.986 10.557 ( 0.000 -2.724 0.916) 2.874 10.557 ( 0.000 2.724 0.916) 2.874 10.594 ( 0.000 -1.273 -6.257) 6.385 10.594 ( 0.000 1.273 -6.257) 6.385 10.816 ( 0.000 -0.338 -0.136) 0.364 10.816 ( 0.000 0.338 -0.136) 0.364 10.977 ( 0.000 -3.017 -9.365) 9.839 10.977 ( 0.000 3.017 -9.365) 9.839 11.084 ( 0.000 -0.030 2.933) 2.933 11.084 ( 0.000 0.030 2.933) 2.933 11.235 ( 0.000 -0.499 2.680) 2.726 11.235 ( 0.000 0.499 2.680) 2.726 11.332 ( 0.000 -3.525 -0.535) 3.565 11.332 ( 0.000 3.525 -0.535) 3.565 11.497 ( 0.000 -2.922 -7.211) 7.780 11.497 ( 0.000 2.922 -7.211) 7.780 11.783 ( 0.000 -1.780 1.642) 2.422 11.783 ( 0.000 1.780 1.642) 2.422 12.143 ( 0.000 -5.346 2.373) 5.849 12.143 ( 0.000 5.346 2.373) 5.849 12.275 ( 0.000 -1.283 0.006) 1.283 12.275 ( 0.000 1.283 0.006) 1.283 12.516 ( 0.000 -1.330 -1.960) 2.369 12.516 ( 0.000 1.330 -1.960) 2.369 12.756 ( 0.000 -7.510 -2.011) 7.774 12.756 ( 0.000 7.510 -2.011) 7.774 ======================= Grid point 37 (17/36) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.614 -12.291 5.207) 13.362 0.676 ( 0.614 12.291 5.207) 13.362 0.788 ( 3.678 -10.059 7.704) 13.194 0.788 ( 3.678 10.059 7.704) 13.194 0.991 ( -4.702 -1.672 2.492) 5.578 0.991 ( -4.702 1.672 2.492) 5.578 1.148 ( -1.041 -1.412 2.063) 2.708 1.148 ( -1.041 1.412 2.063) 2.708 1.218 ( -0.833 -4.290 6.474) 7.810 1.218 ( -0.833 4.290 6.474) 7.810 1.282 ( -1.340 -2.207 1.357) 2.917 1.282 ( -1.340 2.207 1.357) 2.917 1.326 ( -2.918 -2.058 5.139) 6.258 1.326 ( -2.918 2.058 5.139) 6.258 1.438 ( 1.955 -5.600 1.846) 6.212 1.438 ( 1.955 5.600 1.846) 6.212 1.596 ( 1.003 -2.525 2.217) 3.507 1.596 ( 1.003 2.525 2.217) 3.507 1.692 ( 2.068 -2.109 0.497) 2.995 1.692 ( 2.068 2.109 0.497) 2.995 1.733 ( 0.837 -1.015 0.084) 1.318 1.733 ( 0.837 1.015 0.084) 1.318 1.870 ( 5.056 -3.001 4.460) 7.380 1.870 ( 5.056 3.001 4.460) 7.380 1.914 ( -1.700 -1.801 3.321) 4.142 1.914 ( -1.700 1.801 3.321) 4.142 1.985 ( -4.446 -2.792 -1.086) 5.361 1.985 ( -4.446 2.792 -1.086) 5.361 2.070 ( 1.040 -0.657 -1.801) 2.181 2.070 ( 1.040 0.657 -1.801) 2.181 2.166 ( -1.045 -1.606 7.017) 7.274 2.166 ( -1.045 1.606 7.017) 7.274 2.234 ( 1.076 -1.167 -0.305) 1.617 2.234 ( 1.076 1.167 -0.305) 1.617 2.369 ( 0.890 -1.675 3.489) 3.971 2.369 ( 0.890 1.675 3.489) 3.971 2.708 ( -3.277 -0.510 -1.257) 3.547 2.708 ( -3.277 0.510 -1.257) 3.547 2.928 ( -0.300 -6.254 11.610) 13.191 2.928 ( -0.300 6.254 11.610) 13.191 3.056 ( 9.083 -6.705 -2.234) 11.508 3.056 ( 9.083 6.705 -2.234) 11.508 3.223 ( -3.365 -12.328 8.208) 15.188 3.223 ( -3.365 12.328 8.208) 15.188 3.462 ( 1.980 -2.886 2.520) 4.313 3.462 ( 1.980 2.886 2.520) 4.313 3.563 ( 9.892 -3.009 1.340) 10.426 3.563 ( 9.892 3.009 1.340) 10.426 3.625 ( 9.702 -8.912 3.726) 13.690 3.625 ( 9.702 8.912 3.726) 13.690 3.987 ( 4.718 -6.787 -1.168) 8.347 3.987 ( 4.718 6.787 -1.168) 8.347 4.252 ( -2.461 -4.201 0.913) 4.954 4.252 ( -2.461 4.201 0.913) 4.954 4.712 ( -1.450 -4.656 -2.120) 5.318 4.712 ( -1.450 4.656 -2.120) 5.318 4.827 ( 2.854 -2.335 -1.409) 3.948 4.827 ( 2.854 2.335 -1.409) 3.948 5.255 ( -4.767 -1.446 -7.692) 9.164 5.255 ( -4.767 1.446 -7.692) 9.164 5.345 ( -0.957 -3.845 0.001) 3.962 5.345 ( -0.957 3.845 0.001) 3.962 5.570 ( -2.390 -6.495 -4.230) 8.111 5.570 ( -2.390 6.495 -4.230) 8.111 5.735 ( 0.077 -3.907 1.329) 4.128 5.735 ( 0.077 3.907 1.329) 4.128 6.147 ( 0.538 -2.236 2.035) 3.071 6.147 ( 0.538 2.236 2.035) 3.071 6.671 ( -2.330 -4.054 -2.980) 5.545 6.671 ( -2.330 4.054 -2.980) 5.545 6.925 ( -0.085 -1.705 3.819) 4.183 6.925 ( -0.085 1.705 3.819) 4.183 7.239 ( -3.080 -1.310 -3.922) 5.156 7.239 ( -3.080 1.310 -3.922) 5.156 7.286 ( -0.060 -1.357 5.453) 5.620 7.286 ( -0.060 1.357 5.453) 5.620 7.649 ( 2.752 -2.598 -3.658) 5.264 7.649 ( 2.752 2.598 -3.658) 5.264 8.105 ( -0.223 -2.115 -4.149) 4.662 8.105 ( -0.223 2.115 -4.149) 4.662 8.277 ( -1.190 -2.287 2.082) 3.314 8.277 ( -1.190 2.287 2.082) 3.314 8.591 ( 0.493 -10.203 -1.464) 10.319 8.591 ( 0.493 10.203 -1.464) 10.319 8.884 ( -0.460 -1.496 1.810) 2.393 8.884 ( -0.460 1.496 1.810) 2.393 8.988 ( 1.402 -1.516 0.630) 2.159 8.988 ( 1.402 1.516 0.630) 2.159 9.062 ( -0.499 -2.345 2.174) 3.237 9.062 ( -0.499 2.345 2.174) 3.237 9.251 ( 0.538 -3.688 9.722) 10.412 9.251 ( 0.538 3.688 9.722) 10.412 9.335 ( 2.517 -2.597 -2.178) 4.222 9.335 ( 2.517 2.597 -2.178) 4.222 9.599 ( 0.346 -2.461 5.383) 5.929 9.599 ( 0.346 2.461 5.383) 5.929 9.836 ( 2.361 -2.702 -2.136) 4.176 9.836 ( 2.361 2.702 -2.136) 4.176 9.884 ( -2.002 -1.926 -0.612) 2.844 9.884 ( -2.002 1.926 -0.612) 2.844 9.950 ( -2.593 -0.866 0.359) 2.757 9.950 ( -2.593 0.866 0.359) 2.757 10.220 ( 0.427 -5.839 -1.077) 5.953 10.220 ( 0.427 5.839 -1.077) 5.953 10.305 ( -1.753 -3.997 -3.602) 5.659 10.305 ( -1.753 3.997 -3.602) 5.659 10.500 ( -7.025 -1.397 -7.282) 10.214 10.500 ( -7.025 1.397 -7.282) 10.214 10.596 ( 1.865 -3.049 1.709) 3.962 10.596 ( 1.865 3.049 1.709) 3.962 10.800 ( -1.384 -0.972 0.633) 1.806 10.800 ( -1.384 0.972 0.633) 1.806 10.975 ( 0.975 -2.308 -5.959) 6.464 10.975 ( 0.975 2.308 -5.959) 6.464 11.088 ( 0.362 -0.399 2.199) 2.264 11.088 ( 0.362 0.399 2.199) 2.264 11.228 ( -0.880 -0.965 3.900) 4.113 11.228 ( -0.880 0.965 3.900) 4.113 11.299 ( -3.346 -1.423 -0.350) 3.652 11.299 ( -3.346 1.423 -0.350) 3.652 11.536 ( 3.786 -5.930 -6.987) 9.916 11.536 ( 3.786 5.930 -6.987) 9.916 11.788 ( 0.623 -1.586 1.539) 2.297 11.788 ( 0.623 1.586 1.539) 2.297 12.058 ( -8.363 -5.136 -1.535) 9.934 12.058 ( -8.363 5.136 -1.535) 9.934 12.191 ( -2.507 -2.405 4.502) 5.687 12.191 ( -2.507 2.405 4.502) 5.687 12.553 ( 2.017 -0.307 -2.315) 3.086 12.553 ( 2.017 0.307 -2.315) 3.086 12.915 ( 10.488 -9.777 -5.384) 15.316 12.915 ( 10.488 9.777 -5.384) 15.316 ======================= Grid point 39 (18/36) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 4.950 -7.171 5.408) 10.256 0.732 ( 4.950 7.171 5.408) 10.256 0.842 ( -3.555 -6.408 6.825) 10.014 0.842 ( -3.555 6.408 6.825) 10.014 0.929 ( 3.514 -3.444 0.532) 4.949 0.929 ( 3.514 3.444 0.532) 4.949 1.060 ( -6.680 -2.103 1.965) 7.274 1.060 ( -6.680 2.103 1.965) 7.274 1.211 ( -0.082 -2.258 10.350) 10.594 1.211 ( -0.082 2.258 10.350) 10.594 1.259 ( 0.166 -2.363 1.565) 2.839 1.259 ( 0.166 2.363 1.565) 2.839 1.287 ( -1.508 -1.384 3.562) 4.108 1.287 ( -1.508 1.384 3.562) 4.108 1.486 ( 1.715 -1.396 0.278) 2.229 1.486 ( 1.715 1.396 0.278) 2.229 1.612 ( 0.723 -1.919 2.097) 2.933 1.612 ( 0.723 1.919 2.097) 2.933 1.716 ( 0.235 -2.701 0.302) 2.728 1.716 ( 0.235 2.701 0.302) 2.728 1.756 ( 1.227 -0.371 -0.355) 1.330 1.756 ( 1.227 0.371 -0.355) 1.330 1.867 ( -3.917 -2.431 -1.509) 4.850 1.867 ( -3.917 2.431 -1.509) 4.850 1.928 ( 1.699 -0.450 0.781) 1.923 1.928 ( 1.699 0.450 0.781) 1.923 1.952 ( 1.063 -1.730 1.003) 2.265 1.952 ( 1.063 1.730 1.003) 2.265 2.086 ( 1.499 -1.798 -1.251) 2.654 2.086 ( 1.499 1.798 -1.251) 2.654 2.145 ( -1.969 -1.667 -1.463) 2.966 2.145 ( -1.969 1.667 -1.463) 2.966 2.253 ( 0.668 -1.227 2.283) 2.676 2.253 ( 0.668 1.227 2.283) 2.676 2.411 ( 2.389 -1.158 5.132) 5.778 2.411 ( 2.389 1.158 5.132) 5.778 2.643 ( -2.283 -0.242 -0.536) 2.358 2.643 ( -2.283 0.242 -0.536) 2.358 2.908 ( -1.243 -2.937 14.140) 14.495 2.908 ( -1.243 2.937 14.140) 14.495 3.107 ( -1.337 -1.243 1.684) 2.484 3.107 ( -1.337 1.243 1.684) 2.484 3.229 ( 2.546 -0.680 5.247) 5.872 3.229 ( 2.546 0.680 5.247) 5.872 3.471 ( -0.038 -1.436 3.090) 3.408 3.471 ( -0.038 1.436 3.090) 3.408 3.639 ( 2.042 -2.749 7.037) 7.826 3.639 ( 2.042 2.749 7.037) 7.826 3.770 ( 0.453 -2.187 -0.555) 2.301 3.770 ( 0.453 2.187 -0.555) 2.301 4.197 ( -1.057 -2.239 1.436) 2.863 4.197 ( -1.057 2.239 1.436) 2.863 4.336 ( 23.063 -7.151 -5.187) 24.697 4.336 ( 23.063 7.151 -5.187) 24.697 4.673 ( -3.927 -4.415 -3.993) 7.131 4.673 ( -3.927 4.415 -3.993) 7.131 4.882 ( 3.324 -2.079 -2.339) 4.565 4.882 ( 3.324 2.079 -2.339) 4.565 5.050 ( -14.103 -3.055 -7.482) 16.254 5.050 ( -14.103 3.055 -7.482) 16.254 5.337 ( -0.042 -1.745 -0.507) 1.818 5.337 ( -0.042 1.745 -0.507) 1.818 5.550 ( 0.037 -2.855 -0.939) 3.006 5.550 ( 0.037 2.855 -0.939) 3.006 5.735 ( -0.018 -1.451 1.367) 1.994 5.735 ( -0.018 1.451 1.367) 1.994 6.156 ( 0.325 -0.979 1.687) 1.977 6.156 ( 0.325 0.979 1.687) 1.977 6.628 ( -1.440 -1.725 -1.696) 2.815 6.628 ( -1.440 1.725 -1.696) 2.815 6.923 ( -0.139 -0.635 2.594) 2.674 6.923 ( -0.139 0.635 2.594) 2.674 7.192 ( -1.328 -0.427 -1.604) 2.126 7.192 ( -1.328 0.427 -1.604) 2.126 7.286 ( -0.026 -0.611 5.923) 5.954 7.286 ( -0.026 0.611 5.923) 5.954 7.693 ( 1.341 -1.319 -4.875) 5.225 7.693 ( 1.341 1.319 -4.875) 5.225 8.100 ( -0.224 -0.773 -3.925) 4.006 8.100 ( -0.224 0.773 -3.925) 4.006 8.258 ( -0.551 -0.928 2.319) 2.558 8.258 ( -0.551 0.928 2.319) 2.558 8.601 ( 0.347 -3.946 -1.468) 4.225 8.601 ( 0.347 3.946 -1.468) 4.225 8.875 ( -0.329 -0.495 0.719) 0.933 8.875 ( -0.329 0.495 0.719) 0.933 9.017 ( 1.447 -1.122 1.382) 2.294 9.017 ( 1.447 1.122 1.382) 2.294 9.045 ( -1.190 -0.916 2.344) 2.784 9.045 ( -1.190 0.916 2.344) 2.784 9.264 ( 0.510 -1.363 11.103) 11.198 9.264 ( 0.510 1.363 11.103) 11.198 9.390 ( 2.247 -1.412 -5.245) 5.879 9.390 ( 2.247 1.412 -5.245) 5.879 9.617 ( 1.339 -1.280 4.663) 5.017 9.617 ( 1.339 1.280 4.663) 5.017 9.805 ( -4.136 -0.912 -2.129) 4.740 9.805 ( -4.136 0.912 -2.129) 4.740 9.882 ( 1.380 -0.650 1.947) 2.474 9.882 ( 1.380 0.650 1.947) 2.474 9.925 ( -0.175 -1.223 -1.462) 1.914 9.925 ( -0.175 1.223 -1.462) 1.914 10.235 ( 0.694 -5.396 -1.815) 5.735 10.235 ( 0.694 5.396 -1.815) 5.735 10.278 ( 0.186 -1.178 -3.975) 4.150 10.278 ( 0.186 1.178 -3.975) 4.150 10.356 ( -6.117 -3.435 -5.661) 9.014 10.356 ( -6.117 3.435 -5.661) 9.014 10.645 ( 2.438 -2.223 3.001) 4.461 10.645 ( 2.438 2.223 3.001) 4.461 10.760 ( -2.248 -1.764 1.949) 3.459 10.760 ( -2.248 1.764 1.949) 3.459 11.029 ( 3.733 -2.007 -3.271) 5.354 11.029 ( 3.733 2.007 -3.271) 5.354 11.090 ( -0.545 -0.944 -1.353) 1.738 11.090 ( -0.545 0.944 -1.353) 1.738 11.195 ( -2.272 -1.213 4.362) 5.065 11.195 ( -2.272 1.213 4.362) 5.065 11.237 ( -1.700 -0.620 1.796) 2.550 11.237 ( -1.700 0.620 1.796) 2.550 11.613 ( 2.930 -4.042 -5.870) 7.706 11.613 ( 2.930 4.042 -5.870) 7.706 11.807 ( 1.160 -1.757 1.852) 2.805 11.807 ( 1.160 1.757 1.852) 2.805 11.918 ( -4.869 -3.529 -4.272) 7.377 11.918 ( -4.869 3.529 -4.272) 7.377 12.166 ( -0.604 -0.762 4.821) 4.918 12.166 ( -0.604 0.762 4.821) 4.918 12.584 ( 0.997 -0.350 -2.674) 2.875 12.584 ( 0.997 0.350 -2.674) 2.875 13.053 ( 3.442 -4.495 -6.928) 8.947 13.053 ( 3.442 4.495 -6.928) 8.947 ======================= Grid point 50 (19/36) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 0.000 0.000 13.062) 13.062 0.585 ( 0.000 0.000 14.848) 14.848 0.950 ( 0.000 0.000 3.392) 3.392 1.069 ( 0.000 0.000 -3.262) 3.262 1.070 ( 0.000 0.000 4.122) 4.122 1.105 ( 0.000 0.000 0.673) 0.673 1.131 ( 0.000 0.000 0.488) 0.488 1.164 ( 0.000 0.000 14.449) 14.449 1.268 ( 0.000 0.000 2.320) 2.320 1.384 ( 0.000 0.000 6.414) 6.414 1.391 ( 0.000 0.000 10.807) 10.807 1.431 ( 0.000 0.000 -1.566) 1.566 1.438 ( 0.000 0.000 -3.558) 3.558 1.513 ( 0.000 0.000 4.324) 4.324 1.524 ( 0.000 0.000 -4.772) 4.772 1.561 ( 0.000 0.000 1.605) 1.605 1.601 ( 0.000 0.000 -1.286) 1.286 1.612 ( 0.000 0.000 10.165) 10.165 1.685 ( 0.000 0.000 4.647) 4.647 1.739 ( 0.000 0.000 -0.501) 0.501 1.744 ( 0.000 0.000 2.609) 2.609 1.803 ( 0.000 0.000 2.180) 2.180 1.818 ( 0.000 0.000 1.494) 1.494 1.858 ( 0.000 0.000 1.300) 1.300 1.900 ( 0.000 0.000 1.131) 1.131 1.943 ( 0.000 0.000 -4.730) 4.730 1.992 ( 0.000 0.000 2.752) 2.752 2.002 ( 0.000 0.000 -3.255) 3.255 2.109 ( 0.000 0.000 0.533) 0.533 2.135 ( 0.000 0.000 2.433) 2.433 2.184 ( 0.000 0.000 5.569) 5.569 2.186 ( 0.000 0.000 0.731) 0.731 2.275 ( 0.000 0.000 2.055) 2.055 2.378 ( 0.000 0.000 -1.587) 1.587 2.578 ( 0.000 0.000 15.622) 15.622 2.668 ( 0.000 0.000 12.046) 12.046 2.731 ( 0.000 0.000 -1.309) 1.309 2.754 ( 0.000 0.000 -0.028) 0.028 2.807 ( 0.000 0.000 -1.572) 1.572 2.889 ( 0.000 0.000 1.981) 1.981 3.148 ( 0.000 0.000 3.328) 3.328 3.197 ( 0.000 0.000 13.777) 13.777 3.250 ( 0.000 0.000 1.318) 1.318 3.399 ( 0.000 0.000 9.767) 9.767 3.399 ( 0.000 0.000 17.535) 17.535 3.523 ( 0.000 0.000 16.898) 16.898 3.679 ( 0.000 0.000 -0.453) 0.453 3.720 ( 0.000 0.000 -0.450) 0.450 3.748 ( 0.000 0.000 -4.889) 4.889 3.749 ( 0.000 0.000 5.249) 5.249 3.915 ( 0.000 0.000 9.740) 9.740 3.955 ( 0.000 0.000 -7.719) 7.719 4.211 ( 0.000 0.000 2.756) 2.756 4.297 ( 0.000 0.000 -3.506) 3.506 4.503 ( 0.000 0.000 -4.486) 4.486 4.725 ( 0.000 0.000 -0.223) 0.223 4.775 ( 0.000 0.000 -1.048) 1.048 4.828 ( 0.000 0.000 -4.418) 4.418 5.079 ( 0.000 0.000 -16.385) 16.385 5.174 ( 0.000 0.000 -17.534) 17.534 5.201 ( 0.000 0.000 4.657) 4.657 5.359 ( 0.000 0.000 3.811) 3.811 5.452 ( 0.000 0.000 -1.747) 1.747 5.629 ( 0.000 0.000 -5.251) 5.251 5.654 ( 0.000 0.000 3.566) 3.566 5.816 ( 0.000 0.000 -1.710) 1.710 6.127 ( 0.000 0.000 3.142) 3.142 6.276 ( 0.000 0.000 3.182) 3.182 6.514 ( 0.000 0.000 -2.440) 2.440 6.749 ( 0.000 0.000 -4.593) 4.593 7.024 ( 0.000 0.000 6.795) 6.795 7.101 ( 0.000 0.000 4.966) 4.966 7.198 ( 0.000 0.000 -2.642) 2.642 7.210 ( 0.000 0.000 -1.731) 1.731 7.383 ( 0.000 0.000 9.526) 9.526 7.460 ( 0.000 0.000 8.829) 8.829 7.463 ( 0.000 0.000 -2.152) 2.152 7.557 ( 0.000 0.000 -5.318) 5.318 7.950 ( 0.000 0.000 -5.841) 5.841 8.008 ( 0.000 0.000 -9.409) 9.409 8.261 ( 0.000 0.000 -0.843) 0.843 8.328 ( 0.000 0.000 -0.127) 0.127 8.357 ( 0.000 0.000 8.296) 8.296 8.803 ( 0.000 0.000 -5.241) 5.241 8.893 ( 0.000 0.000 1.418) 1.418 8.936 ( 0.000 0.000 -0.270) 0.270 9.017 ( 0.000 0.000 4.409) 4.409 9.064 ( 0.000 0.000 5.102) 5.102 9.088 ( 0.000 0.000 4.396) 4.396 9.173 ( 0.000 0.000 0.043) 0.043 9.221 ( 0.000 0.000 -2.503) 2.503 9.296 ( 0.000 0.000 -5.599) 5.599 9.307 ( 0.000 0.000 5.485) 5.485 9.338 ( 0.000 0.000 -2.600) 2.600 9.622 ( 0.000 0.000 5.230) 5.230 9.691 ( 0.000 0.000 -2.355) 2.355 9.726 ( 0.000 0.000 0.030) 0.030 9.822 ( 0.000 0.000 -3.867) 3.867 9.831 ( 0.000 0.000 5.763) 5.763 9.897 ( 0.000 0.000 -4.800) 4.800 10.027 ( 0.000 0.000 3.419) 3.419 10.057 ( 0.000 0.000 7.547) 7.547 10.077 ( 0.000 0.000 -8.034) 8.034 10.210 ( 0.000 0.000 -5.630) 5.630 10.263 ( 0.000 0.000 -0.447) 0.447 10.324 ( 0.000 0.000 -1.714) 1.714 10.426 ( 0.000 0.000 -1.794) 1.794 10.539 ( 0.000 0.000 -12.933) 12.933 10.588 ( 0.000 0.000 3.532) 3.532 10.698 ( 0.000 0.000 -4.115) 4.115 10.720 ( 0.000 0.000 2.656) 2.656 10.746 ( 0.000 0.000 -5.341) 5.341 10.826 ( 0.000 0.000 0.184) 0.184 10.836 ( 0.000 0.000 -4.238) 4.238 11.158 ( 0.000 0.000 3.536) 3.536 11.180 ( 0.000 0.000 1.015) 1.015 11.214 ( 0.000 0.000 4.707) 4.707 11.248 ( 0.000 0.000 -5.383) 5.383 11.289 ( 0.000 0.000 -2.325) 2.325 11.317 ( 0.000 0.000 0.548) 0.548 11.369 ( 0.000 0.000 -2.455) 2.455 11.375 ( 0.000 0.000 -8.622) 8.622 11.805 ( 0.000 0.000 4.550) 4.550 11.819 ( 0.000 0.000 7.090) 7.090 11.934 ( 0.000 0.000 1.157) 1.157 12.145 ( 0.000 0.000 -3.874) 3.874 12.365 ( 0.000 0.000 3.320) 3.320 12.434 ( 0.000 0.000 -1.256) 1.256 12.488 ( 0.000 0.000 -3.349) 3.349 12.514 ( 0.000 0.000 3.038) 3.038 12.571 ( 0.000 0.000 -2.012) 2.012 12.848 ( 0.000 0.000 -5.702) 5.702 ======================= Grid point 51 (20/36) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 18.243 0.000 7.198) 19.612 0.652 ( 6.308 0.000 12.321) 13.842 0.917 ( -2.768 0.000 5.086) 5.790 1.044 ( -2.637 0.000 -2.159) 3.408 1.074 ( 0.416 0.000 4.129) 4.150 1.125 ( 1.446 0.000 4.709) 4.926 1.148 ( 1.586 0.000 -0.523) 1.670 1.150 ( 0.842 0.000 7.931) 7.976 1.229 ( -2.719 0.000 0.995) 2.895 1.292 ( -3.654 0.000 8.718) 9.453 1.315 ( -4.993 0.000 6.561) 8.244 1.433 ( 0.520 0.000 0.014) 0.520 1.435 ( -7.096 0.000 -2.618) 7.563 1.502 ( 0.809 0.000 -0.650) 1.038 1.549 ( -1.773 0.000 -0.152) 1.780 1.554 ( 2.544 0.000 5.497) 6.058 1.646 ( 3.145 0.000 0.588) 3.199 1.667 ( 1.736 0.000 6.663) 6.886 1.691 ( 0.782 0.000 3.493) 3.580 1.716 ( -1.596 0.000 1.826) 2.425 1.747 ( -0.149 0.000 0.631) 0.648 1.782 ( -1.042 0.000 0.784) 1.304 1.791 ( 1.090 0.000 -1.542) 1.889 1.846 ( -1.988 0.000 0.638) 2.087 1.901 ( -3.901 0.000 -4.039) 5.616 1.914 ( -5.270 0.000 -2.472) 5.821 1.935 ( -0.553 0.000 -0.825) 0.993 1.996 ( -0.746 0.000 -0.508) 0.903 2.130 ( 1.676 0.000 2.910) 3.358 2.137 ( -0.623 0.000 4.755) 4.796 2.189 ( -0.217 0.000 0.134) 0.255 2.190 ( 0.422 0.000 3.257) 3.284 2.279 ( 0.878 0.000 0.311) 0.931 2.337 ( -2.755 0.000 -0.505) 2.801 2.579 ( -0.652 0.000 15.656) 15.669 2.627 ( -3.596 0.000 11.122) 11.689 2.692 ( -3.176 0.000 -0.261) 3.186 2.726 ( -3.162 0.000 0.572) 3.213 2.876 ( 5.988 0.000 -1.004) 6.071 2.953 ( 4.178 0.000 3.508) 5.455 3.161 ( -2.118 0.000 10.345) 10.560 3.279 ( 1.270 0.000 7.731) 7.834 3.309 ( 4.338 0.000 8.271) 9.340 3.422 ( 15.391 0.000 3.326) 15.747 3.452 ( 3.075 0.000 10.840) 11.268 3.547 ( 1.986 0.000 14.549) 14.684 3.676 ( -0.389 0.000 2.196) 2.231 3.739 ( -0.777 0.000 5.133) 5.191 3.768 ( 4.039 0.000 -1.774) 4.411 3.800 ( -0.577 0.000 5.475) 5.505 3.936 ( -1.856 0.000 -7.051) 7.292 3.998 ( 13.261 0.000 -5.341) 14.296 4.263 ( 5.494 0.000 3.340) 6.429 4.299 ( 0.016 0.000 -3.237) 3.237 4.477 ( -2.744 0.000 -5.111) 5.801 4.747 ( 1.120 0.000 -0.957) 1.473 4.766 ( -1.085 0.000 -2.217) 2.468 4.849 ( 2.305 0.000 -3.049) 3.822 5.001 ( -7.625 0.000 -15.500) 17.274 5.111 ( -5.961 0.000 -15.981) 17.057 5.231 ( 2.561 0.000 4.095) 4.830 5.382 ( 2.543 0.000 3.106) 4.014 5.416 ( -3.154 0.000 -0.232) 3.162 5.594 ( -2.131 0.000 -3.701) 4.270 5.714 ( 3.918 0.000 1.830) 4.324 5.820 ( 0.281 0.000 -0.975) 1.015 6.133 ( 0.607 0.000 2.925) 2.987 6.252 ( -2.352 0.000 2.665) 3.554 6.527 ( 1.488 0.000 -1.489) 2.105 6.723 ( -2.527 0.000 -3.700) 4.481 7.020 ( -0.283 0.000 6.081) 6.088 7.078 ( -2.001 0.000 4.178) 4.632 7.199 ( 0.016 0.000 -2.777) 2.777 7.211 ( -0.086 0.000 -1.218) 1.221 7.383 ( 0.515 0.000 6.706) 6.726 7.459 ( -0.280 0.000 7.218) 7.223 7.490 ( 2.232 0.000 0.187) 2.240 7.556 ( -0.069 0.000 -3.380) 3.381 7.971 ( 1.896 0.000 -5.901) 6.198 8.014 ( 0.528 0.000 -8.775) 8.790 8.279 ( 1.411 0.000 -0.400) 1.466 8.318 ( -0.882 0.000 0.322) 0.939 8.374 ( 2.121 0.000 6.373) 6.716 8.727 ( -6.135 0.000 -3.865) 7.251 8.917 ( 1.140 0.000 1.132) 1.606 8.928 ( -0.650 0.000 0.370) 0.748 9.013 ( -0.158 0.000 4.089) 4.092 9.061 ( -0.725 0.000 4.917) 4.970 9.076 ( -0.560 0.000 3.045) 3.096 9.142 ( -2.445 0.000 0.399) 2.477 9.254 ( 2.959 0.000 -3.163) 4.331 9.310 ( 2.243 0.000 -2.213) 3.151 9.369 ( 4.027 0.000 1.721) 4.380 9.378 ( 3.871 0.000 -2.533) 4.626 9.614 ( -0.978 0.000 2.242) 2.446 9.706 ( 1.684 0.000 0.194) 1.695 9.717 ( -3.918 0.000 0.287) 3.929 9.747 ( -2.794 0.000 5.404) 6.084 9.860 ( -3.251 0.000 -3.672) 4.904 9.877 ( 2.570 0.000 -0.654) 2.652 10.019 ( -0.266 0.000 -1.362) 1.387 10.026 ( -4.862 0.000 0.799) 4.928 10.060 ( -0.252 0.000 6.665) 6.670 10.205 ( -2.048 0.000 -3.496) 4.052 10.236 ( -0.478 0.000 -1.511) 1.585 10.256 ( -4.147 0.000 -3.561) 5.466 10.385 ( -2.478 0.000 -3.156) 4.013 10.443 ( -4.830 0.000 -9.901) 11.016 10.609 ( 0.855 0.000 4.411) 4.493 10.742 ( 2.360 0.000 2.900) 3.739 10.752 ( -3.762 0.000 -0.744) 3.835 10.821 ( 4.883 0.000 -4.745) 6.809 10.835 ( 9.187 0.000 -7.463) 11.837 10.882 ( 0.892 0.000 -0.877) 1.250 11.167 ( 1.406 0.000 1.992) 2.438 11.191 ( 0.829 0.000 1.303) 1.544 11.209 ( -2.626 0.000 -3.902) 4.703 11.244 ( 1.899 0.000 4.679) 5.049 11.279 ( -1.027 0.000 -1.976) 2.227 11.309 ( -0.740 0.000 0.526) 0.908 11.325 ( -2.913 0.000 -3.414) 4.487 11.448 ( 4.347 0.000 -6.606) 7.908 11.701 ( -5.111 0.000 3.810) 6.375 11.891 ( -4.020 0.000 -1.119) 4.173 11.912 ( 4.810 0.000 5.562) 7.354 12.130 ( -1.429 0.000 -1.594) 2.141 12.283 ( -5.195 0.000 3.891) 6.491 12.317 ( -8.270 0.000 3.137) 8.845 12.492 ( 0.636 0.000 -3.861) 3.913 12.535 ( -0.905 0.000 -3.173) 3.299 12.657 ( 10.439 0.000 0.043) 10.439 12.969 ( 5.802 0.000 -10.145) 11.686 ======================= Grid point 52 (21/36) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 6.934 0.000 7.464) 10.188 0.835 ( 2.424 0.000 6.946) 7.357 0.923 ( 2.175 0.000 6.401) 6.760 0.965 ( -4.375 0.000 5.191) 6.789 1.081 ( 0.435 0.000 4.850) 4.870 1.110 ( -2.371 0.000 4.130) 4.762 1.188 ( 0.117 0.000 -1.423) 1.428 1.190 ( 0.608 0.000 -2.442) 2.517 1.232 ( 3.211 0.000 3.337) 4.631 1.263 ( 1.949 0.000 0.543) 2.023 1.285 ( -5.311 0.000 0.896) 5.386 1.324 ( 4.452 0.000 5.605) 7.158 1.465 ( 2.760 0.000 -0.463) 2.799 1.468 ( -0.467 0.000 1.764) 1.825 1.514 ( -1.528 0.000 -2.321) 2.779 1.598 ( -0.254 0.000 4.540) 4.547 1.649 ( -0.576 0.000 3.111) 3.164 1.657 ( -4.194 0.000 6.305) 7.573 1.693 ( -0.013 0.000 -0.853) 0.853 1.712 ( -1.257 0.000 2.949) 3.205 1.718 ( -1.597 0.000 -0.712) 1.749 1.737 ( -3.119 0.000 0.320) 3.135 1.782 ( -1.463 0.000 -1.502) 2.096 1.800 ( -2.058 0.000 0.865) 2.232 1.873 ( 0.818 0.000 -1.386) 1.610 1.884 ( 2.938 0.000 -3.060) 4.242 1.909 ( -0.533 0.000 -0.638) 0.831 1.967 ( -2.863 0.000 -2.097) 3.549 2.132 ( 0.546 0.000 5.429) 5.456 2.142 ( -0.478 0.000 4.793) 4.817 2.182 ( 0.011 0.000 0.286) 0.287 2.189 ( -0.203 0.000 0.022) 0.204 2.297 ( 0.632 0.000 -1.090) 1.260 2.309 ( -0.613 0.000 -1.537) 1.655 2.556 ( -1.142 0.000 12.079) 12.133 2.562 ( -2.146 0.000 10.024) 10.252 2.640 ( -1.463 0.000 0.414) 1.521 2.655 ( -2.978 0.000 0.889) 3.108 3.004 ( 6.030 0.000 -1.656) 6.253 3.026 ( 3.043 0.000 2.327) 3.831 3.129 ( -0.769 0.000 14.178) 14.199 3.191 ( -6.131 0.000 13.388) 14.724 3.392 ( 3.922 0.000 13.733) 14.282 3.450 ( -1.769 0.000 14.795) 14.901 3.606 ( 3.351 0.000 11.602) 12.076 3.657 ( -1.770 0.000 7.629) 7.832 3.729 ( 0.058 0.000 4.840) 4.840 3.750 ( -2.011 0.000 5.541) 5.895 3.820 ( 5.893 0.000 -2.504) 6.402 3.889 ( -2.890 0.000 -5.367) 6.095 3.936 ( 23.443 0.000 -10.068) 25.514 4.234 ( 6.505 0.000 -4.394) 7.851 4.278 ( -4.005 0.000 -5.100) 6.485 4.355 ( -10.797 0.000 -6.739) 12.727 4.479 ( 16.051 0.000 -6.719) 17.400 4.705 ( -6.169 0.000 -4.529) 7.653 4.752 ( 0.594 0.000 -3.849) 3.894 4.843 ( -7.703 0.000 -10.934) 13.375 4.901 ( 2.701 0.000 -3.097) 4.109 4.974 ( -6.170 0.000 -9.262) 11.129 5.285 ( 2.940 0.000 3.087) 4.263 5.348 ( -3.516 0.000 1.646) 3.882 5.455 ( 4.550 0.000 1.152) 4.694 5.539 ( -3.697 0.000 -1.749) 4.090 5.782 ( 2.779 0.000 1.583) 3.199 5.817 ( -0.842 0.000 0.495) 0.976 6.154 ( 1.632 0.000 2.433) 2.930 6.198 ( -2.804 0.000 2.190) 3.558 6.578 ( 3.667 0.000 -0.748) 3.742 6.657 ( -4.067 0.000 -1.831) 4.460 7.018 ( 0.298 0.000 4.284) 4.294 7.038 ( -1.741 0.000 3.455) 3.869 7.199 ( 0.134 0.000 -1.835) 1.840 7.205 ( -0.404 0.000 -1.018) 1.095 7.408 ( 1.793 0.000 4.056) 4.435 7.442 ( -1.489 0.000 4.226) 4.481 7.531 ( 1.723 0.000 1.616) 2.362 7.552 ( -0.453 0.000 0.406) 0.609 8.007 ( 1.412 0.000 -6.230) 6.388 8.021 ( -0.057 0.000 -7.343) 7.344 8.296 ( 0.304 0.000 1.546) 1.576 8.302 ( -0.529 0.000 1.278) 1.383 8.456 ( 6.156 0.000 0.982) 6.233 8.592 ( -7.362 0.000 -2.293) 7.710 8.920 ( -0.025 0.000 1.410) 1.411 8.924 ( -0.229 0.000 1.766) 1.781 9.018 ( 0.665 0.000 3.795) 3.853 9.037 ( -1.275 0.000 4.092) 4.286 9.078 ( 0.600 0.000 1.709) 1.811 9.100 ( -1.661 0.000 0.794) 1.841 9.317 ( 2.965 0.000 -4.787) 5.630 9.347 ( 0.446 0.000 -4.543) 4.565 9.449 ( 4.713 0.000 4.812) 6.735 9.474 ( 5.545 0.000 -2.381) 6.035 9.570 ( -7.712 0.000 6.714) 10.225 9.571 ( -3.783 0.000 -1.372) 4.024 9.754 ( 1.299 0.000 0.749) 1.499 9.765 ( 4.111 0.000 0.922) 4.213 9.796 ( -2.484 0.000 0.248) 2.496 9.867 ( -4.705 0.000 2.609) 5.380 9.984 ( 1.993 0.000 2.241) 2.998 10.033 ( 1.907 0.000 -2.985) 3.542 10.035 ( -2.285 0.000 5.270) 5.744 10.100 ( -5.236 0.000 -2.951) 6.010 10.256 ( 1.564 0.000 -4.130) 4.416 10.260 ( 1.870 0.000 -3.003) 3.538 10.340 ( -1.664 0.000 -4.240) 4.554 10.364 ( -3.442 0.000 -6.739) 7.567 10.636 ( 2.145 0.000 2.953) 3.650 10.688 ( -2.976 0.000 1.141) 3.187 10.799 ( 3.257 0.000 3.077) 4.480 10.858 ( -2.287 0.000 2.266) 3.219 10.915 ( 4.153 0.000 -5.586) 6.961 10.961 ( 1.706 0.000 -7.495) 7.686 11.170 ( 0.682 0.000 -1.772) 1.898 11.203 ( 0.722 0.000 2.279) 2.391 11.215 ( 1.972 0.000 -0.152) 1.978 11.249 ( -1.586 0.000 0.698) 1.733 11.259 ( -2.954 0.000 -3.200) 4.355 11.267 ( -1.522 0.000 -0.795) 1.717 11.335 ( 4.882 0.000 4.053) 6.344 11.447 ( -5.036 0.000 1.758) 5.335 11.690 ( 4.352 0.000 -4.559) 6.303 11.795 ( -5.525 0.000 -4.343) 7.027 12.005 ( 4.738 0.000 4.114) 6.274 12.087 ( -3.277 0.000 1.738) 3.709 12.203 ( -2.371 0.000 3.092) 3.897 12.206 ( -2.811 0.000 3.308) 4.341 12.508 ( 0.907 0.000 -3.977) 4.079 12.523 ( -0.630 0.000 -3.881) 3.932 12.857 ( 9.288 0.000 -4.767) 10.440 12.989 ( -3.510 0.000 -9.155) 9.805 ======================= Grid point 55 (22/36) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 13.577 8.606) 16.075 0.669 ( 0.000 8.825 9.632) 13.063 0.917 ( 0.000 -4.737 3.868) 6.115 1.036 ( 0.000 -3.836 0.801) 3.919 1.062 ( 0.000 -0.696 2.441) 2.538 1.072 ( 0.000 -2.150 2.989) 3.682 1.140 ( 0.000 4.324 0.937) 4.424 1.248 ( 0.000 -2.122 0.922) 2.314 1.255 ( 0.000 3.865 4.658) 6.053 1.315 ( 0.000 0.334 3.604) 3.619 1.371 ( 0.000 -4.735 6.861) 8.336 1.379 ( 0.000 -9.402 -3.689) 10.100 1.408 ( 0.000 -3.363 -1.924) 3.875 1.475 ( 0.000 -0.347 1.389) 1.432 1.521 ( 0.000 -2.726 0.494) 2.771 1.551 ( 0.000 5.854 5.858) 8.282 1.568 ( 0.000 -3.743 8.946) 9.697 1.679 ( 0.000 3.901 -0.135) 3.903 1.698 ( 0.000 0.233 2.568) 2.579 1.729 ( 0.000 -0.454 1.732) 1.791 1.750 ( 0.000 0.233 4.195) 4.201 1.805 ( 0.000 -3.184 3.964) 5.084 1.832 ( 0.000 2.573 0.965) 2.748 1.846 ( 0.000 1.111 1.651) 1.990 1.914 ( 0.000 1.915 0.076) 1.916 1.944 ( 0.000 -0.029 -3.341) 3.341 2.010 ( 0.000 -0.409 -2.694) 2.724 2.024 ( 0.000 1.811 0.665) 1.929 2.118 ( 0.000 0.780 1.996) 2.143 2.137 ( 0.000 0.890 0.855) 1.234 2.162 ( 0.000 -1.668 6.997) 7.193 2.172 ( 0.000 -1.203 1.546) 1.959 2.288 ( 0.000 1.465 1.777) 2.304 2.364 ( 0.000 -1.549 -0.659) 1.683 2.583 ( 0.000 0.447 14.723) 14.730 2.641 ( 0.000 -2.861 11.607) 11.954 2.722 ( 0.000 -0.575 -0.405) 0.703 2.735 ( 0.000 -0.885 0.310) 0.938 2.824 ( 0.000 1.245 -2.196) 2.524 2.878 ( 0.000 -1.318 -0.029) 1.319 3.164 ( 0.000 -1.488 12.660) 12.747 3.203 ( 0.000 -3.564 5.634) 6.667 3.219 ( 0.000 4.410 3.910) 5.893 3.414 ( 0.000 3.043 20.594) 20.817 3.451 ( 0.000 4.195 5.880) 7.223 3.552 ( 0.000 -12.689 -2.927) 13.023 3.556 ( 0.000 2.877 11.883) 12.227 3.662 ( 0.000 -0.269 3.154) 3.166 3.675 ( 0.000 -7.788 8.468) 11.505 3.792 ( 0.000 7.434 0.239) 7.437 3.859 ( 0.000 -5.180 10.219) 11.457 4.042 ( 0.000 1.745 -3.999) 4.363 4.230 ( 0.000 1.943 1.607) 2.521 4.293 ( 0.000 -0.358 -3.159) 3.179 4.565 ( 0.000 5.640 -4.144) 6.998 4.736 ( 0.000 0.814 -0.147) 0.827 4.783 ( 0.000 0.250 -0.574) 0.626 4.790 ( 0.000 -3.623 -4.187) 5.537 5.088 ( 0.000 0.617 -16.149) 16.161 5.116 ( 0.000 -2.176 -10.563) 10.785 5.282 ( 0.000 4.352 -2.038) 4.806 5.367 ( 0.000 2.326 -0.823) 2.467 5.426 ( 0.000 -2.738 -1.237) 3.004 5.585 ( 0.000 -4.802 -6.099) 7.762 5.690 ( 0.000 3.352 2.858) 4.405 5.802 ( 0.000 -1.531 -0.830) 1.742 6.148 ( 0.000 2.160 3.354) 3.989 6.255 ( 0.000 -2.238 3.773) 4.386 6.539 ( 0.000 2.749 -3.612) 4.539 6.704 ( 0.000 -4.224 -4.575) 6.227 7.012 ( 0.000 -0.669 5.973) 6.010 7.068 ( 0.000 -2.991 4.706) 5.576 7.182 ( 0.000 -0.970 -3.125) 3.272 7.196 ( 0.000 -1.246 -3.358) 3.581 7.403 ( 0.000 1.698 9.080) 9.237 7.436 ( 0.000 -0.320 7.099) 7.106 7.525 ( 0.000 3.177 -0.502) 3.217 7.567 ( 0.000 0.632 -3.988) 4.038 7.967 ( 0.000 1.510 -6.212) 6.393 8.005 ( 0.000 -0.323 -8.782) 8.788 8.281 ( 0.000 1.649 -0.344) 1.684 8.330 ( 0.000 -0.133 -0.269) 0.300 8.414 ( 0.000 6.303 5.660) 8.471 8.735 ( 0.000 -6.790 -3.671) 7.719 8.904 ( 0.000 1.070 1.367) 1.736 8.928 ( 0.000 -0.483 0.052) 0.486 9.006 ( 0.000 -0.453 4.043) 4.069 9.068 ( 0.000 -2.728 4.399) 5.176 9.078 ( 0.000 0.746 3.515) 3.594 9.129 ( 0.000 -2.490 0.004) 2.490 9.231 ( 0.000 1.291 -1.717) 2.148 9.269 ( 0.000 -0.395 -3.247) 3.271 9.338 ( 0.000 3.395 6.231) 7.096 9.439 ( 0.000 4.350 -1.506) 4.604 9.659 ( 0.000 3.706 4.767) 6.038 9.699 ( 0.000 1.292 -1.210) 1.770 9.798 ( 0.000 2.584 3.760) 4.563 9.800 ( 0.000 -3.547 -0.114) 3.549 9.820 ( 0.000 1.447 0.189) 1.459 9.874 ( 0.000 -1.097 -4.198) 4.339 10.021 ( 0.000 -2.637 -0.744) 2.740 10.040 ( 0.000 -3.226 3.868) 5.037 10.089 ( 0.000 3.063 -3.010) 4.294 10.111 ( 0.000 3.161 0.660) 3.230 10.309 ( 0.000 -2.609 -2.779) 3.812 10.325 ( 0.000 -0.884 -2.602) 2.748 10.464 ( 0.000 1.123 -4.967) 5.093 10.478 ( 0.000 -4.808 -10.362) 11.423 10.594 ( 0.000 0.731 3.658) 3.730 10.673 ( 0.000 -3.445 2.224) 4.100 10.710 ( 0.000 1.778 -6.220) 6.469 10.755 ( 0.000 0.205 -6.278) 6.282 10.835 ( 0.000 1.074 -0.043) 1.075 10.857 ( 0.000 1.115 -3.432) 3.609 11.140 ( 0.000 -1.822 1.677) 2.476 11.142 ( 0.000 -1.293 1.581) 2.042 11.260 ( 0.000 0.738 0.256) 0.781 11.269 ( 0.000 0.366 -0.962) 1.030 11.286 ( 0.000 1.592 -0.414) 1.644 11.290 ( 0.000 -0.116 -3.203) 3.205 11.380 ( 0.000 0.261 -6.415) 6.420 11.389 ( 0.000 0.779 -1.574) 1.756 11.801 ( 0.000 -0.557 2.502) 2.563 11.807 ( 0.000 0.060 2.940) 2.940 12.038 ( 0.000 8.558 2.767) 8.994 12.177 ( 0.000 3.409 -2.030) 3.968 12.324 ( 0.000 -4.410 3.095) 5.387 12.388 ( 0.000 -5.065 0.359) 5.077 12.480 ( 0.000 -0.643 -3.274) 3.337 12.484 ( 0.000 -1.498 -0.406) 1.552 12.616 ( 0.000 4.116 -0.595) 4.159 12.808 ( 0.000 -4.060 -4.742) 6.243 ======================= Grid point 56 (23/36) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 6.179 2.743 9.422) 11.597 0.769 ( 7.708 8.047 6.930) 13.122 0.889 ( -1.124 -3.780 4.403) 5.911 1.027 ( -2.052 -2.528 -1.514) 3.591 1.048 ( -0.416 -2.071 4.677) 5.132 1.075 ( 0.128 -2.289 4.461) 5.015 1.158 ( 1.623 1.952 -1.063) 2.752 1.215 ( -2.582 -0.050 0.355) 2.607 1.261 ( 0.058 2.457 0.369) 2.485 1.268 ( -4.108 0.040 4.198) 5.874 1.318 ( -5.343 -8.424 2.386) 10.258 1.337 ( -1.788 1.237 6.183) 6.554 1.382 ( -0.893 -5.651 -3.288) 6.598 1.480 ( 0.394 -2.128 2.915) 3.630 1.524 ( -0.344 -2.510 -0.672) 2.621 1.549 ( -1.051 1.751 7.050) 7.340 1.613 ( 2.805 -1.305 5.624) 6.419 1.692 ( -0.538 -0.252 0.786) 0.986 1.707 ( 0.164 3.115 5.683) 6.483 1.728 ( -0.010 0.576 -0.286) 0.643 1.737 ( -0.061 -1.046 1.138) 1.547 1.786 ( -1.888 0.449 0.826) 2.109 1.815 ( 0.315 2.474 -1.174) 2.756 1.855 ( 2.510 -0.469 1.802) 3.125 1.918 ( -3.972 1.659 -2.876) 5.176 1.938 ( 0.269 0.929 -1.737) 1.988 1.960 ( -3.723 3.611 -0.693) 5.232 2.011 ( -1.179 0.282 -0.815) 1.461 2.108 ( 0.042 -1.202 3.793) 3.980 2.137 ( -0.508 -0.365 4.397) 4.441 2.153 ( -0.614 -2.815 1.048) 3.065 2.188 ( -0.303 -0.525 2.175) 2.258 2.280 ( -0.492 0.126 0.004) 0.508 2.319 ( -3.054 -1.818 0.124) 3.556 2.566 ( -2.295 -1.547 13.200) 13.487 2.571 ( -0.840 -2.764 10.197) 10.598 2.690 ( -2.882 -0.047 -0.266) 2.895 2.716 ( -2.591 -1.132 0.454) 2.864 2.922 ( 6.916 4.344 -0.402) 8.177 3.026 ( 7.129 4.516 2.142) 8.706 3.160 ( -0.087 -0.767 9.600) 9.631 3.273 ( 5.941 -4.180 9.612) 12.048 3.302 ( -1.884 2.723 11.806) 12.261 3.417 ( 12.344 0.481 4.082) 13.010 3.500 ( 3.583 4.123 8.638) 10.220 3.563 ( 3.444 1.347 9.724) 10.404 3.632 ( 0.476 -4.627 4.752) 6.649 3.662 ( 0.617 -5.607 3.950) 6.886 3.708 ( 3.753 -2.305 4.280) 6.141 3.814 ( 1.513 2.448 3.001) 4.158 3.929 ( 10.405 -3.443 1.639) 11.082 4.028 ( -0.431 1.584 -4.267) 4.572 4.248 ( 2.056 -0.427 2.507) 3.270 4.295 ( 0.048 -0.764 -2.203) 2.332 4.543 ( -2.211 5.724 -4.656) 7.703 4.738 ( -1.735 -2.509 -2.245) 3.788 4.767 ( 1.056 1.096 -1.461) 2.110 4.833 ( 2.597 -1.448 -2.156) 3.673 5.011 ( -7.396 1.013 -15.319) 17.041 5.080 ( -4.900 -2.349 -13.692) 14.731 5.273 ( 0.002 3.447 0.701) 3.517 5.355 ( -1.138 -1.016 -0.755) 1.702 5.438 ( 1.560 1.227 0.027) 1.985 5.577 ( -0.821 -2.756 -4.224) 5.110 5.720 ( 2.498 1.175 2.115) 3.478 5.803 ( -0.017 -1.744 -0.268) 1.764 6.153 ( 0.541 2.066 3.086) 3.753 6.241 ( -1.420 -1.340 3.187) 3.738 6.543 ( 0.714 2.004 -2.611) 3.368 6.684 ( -2.017 -3.772 -3.714) 5.665 7.005 ( -0.672 -1.178 4.946) 5.129 7.045 ( -2.082 -3.039 3.373) 4.995 7.178 ( -0.236 -1.077 -2.300) 2.551 7.196 ( -0.171 -1.177 -1.715) 2.087 7.407 ( 0.646 1.704 8.171) 8.372 7.444 ( 0.580 -0.538 7.954) 7.993 7.538 ( 1.154 3.035 -1.258) 3.482 7.571 ( 0.217 1.117 -3.962) 4.123 7.981 ( 1.238 0.854 -6.032) 6.217 8.010 ( 0.365 -0.482 -8.179) 8.202 8.280 ( -0.080 0.570 0.238) 0.623 8.324 ( -0.693 -0.150 0.229) 0.745 8.431 ( 2.057 6.056 3.846) 7.463 8.694 ( -3.819 -4.070 -2.996) 6.334 8.904 ( -0.232 -0.538 0.974) 1.136 8.922 ( -0.487 -0.542 0.773) 1.063 9.008 ( 0.501 0.256 3.653) 3.696 9.070 ( 0.319 -1.055 3.201) 3.386 9.089 ( 0.389 0.717 4.002) 4.084 9.113 ( -1.455 -1.340 0.485) 2.037 9.250 ( 2.038 0.199 -2.685) 3.376 9.279 ( 1.354 -0.674 -3.357) 3.682 9.379 ( 3.451 2.020 6.010) 7.219 9.469 ( 2.819 3.573 -0.735) 4.610 9.652 ( -0.717 2.882 2.511) 3.889 9.706 ( -6.000 -0.808 3.495) 6.991 9.726 ( 2.224 1.612 1.266) 3.025 9.781 ( -1.714 3.847 -0.473) 4.238 9.857 ( -2.317 -0.208 -3.047) 3.834 9.866 ( 2.291 -1.924 0.390) 3.017 10.005 ( -1.966 -1.186 0.058) 2.297 10.018 ( -1.175 -1.474 3.010) 3.552 10.082 ( -0.295 4.251 0.834) 4.342 10.139 ( 2.147 -0.461 -2.421) 3.268 10.262 ( -6.196 1.623 -2.245) 6.787 10.290 ( -1.273 -2.334 -3.380) 4.300 10.384 ( -5.746 -0.495 -5.100) 7.699 10.405 ( -3.896 -3.380 -8.296) 9.769 10.613 ( 1.496 0.745 3.731) 4.088 10.701 ( 2.010 -3.042 2.528) 4.437 10.771 ( 0.693 0.555 -2.437) 2.594 10.810 ( 5.099 -1.526 -3.592) 6.421 10.833 ( 3.281 1.677 -3.856) 5.334 10.889 ( 1.541 0.012 -3.215) 3.565 11.119 ( -1.282 -1.982 0.398) 2.394 11.155 ( 0.227 -2.683 1.396) 3.033 11.254 ( -0.911 0.078 -0.559) 1.071 11.264 ( -1.595 1.309 -3.480) 4.045 11.285 ( -0.253 -0.894 0.110) 0.936 11.302 ( 1.807 2.969 1.371) 3.737 11.349 ( -1.039 2.193 -1.033) 2.638 11.446 ( 4.121 -0.535 -6.409) 7.639 11.746 ( -2.994 3.576 1.366) 4.860 11.861 ( 2.785 -2.467 3.568) 5.155 11.950 ( -6.778 3.892 -0.808) 7.857 12.157 ( -5.681 -0.001 1.400) 5.851 12.219 ( -3.010 -2.349 2.831) 4.753 12.324 ( -4.426 -1.032 3.861) 5.963 12.491 ( 0.979 0.033 -3.668) 3.797 12.520 ( 0.849 -1.351 -2.636) 3.081 12.701 ( 8.578 4.385 -1.978) 9.834 12.918 ( 6.144 -4.980 -8.459) 11.580 ======================= Grid point 57 (24/36) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 8.432 -2.973 6.325) 10.952 0.850 ( 1.278 1.674 4.522) 4.988 0.905 ( -1.478 -0.818 5.349) 5.610 0.973 ( -3.543 -1.024 1.438) 3.958 1.035 ( 1.559 -5.186 5.721) 7.877 1.095 ( -0.475 -2.129 5.172) 5.613 1.131 ( -1.559 -3.429 -0.506) 3.801 1.177 ( -4.191 -4.010 -0.383) 5.813 1.225 ( 3.108 0.519 -0.994) 3.304 1.248 ( 0.171 -1.575 0.784) 1.767 1.257 ( -0.000 -0.816 2.117) 2.268 1.320 ( -2.663 -3.964 -0.449) 4.797 1.417 ( 4.463 -0.691 2.680) 5.252 1.466 ( -2.194 1.303 3.462) 4.301 1.484 ( -0.711 -1.436 1.173) 1.985 1.532 ( -2.829 -2.791 3.494) 5.292 1.652 ( 2.132 0.954 4.583) 5.144 1.679 ( 0.118 1.003 1.991) 2.232 1.692 ( -0.097 -0.005 1.602) 1.605 1.734 ( 0.506 1.525 -0.132) 1.612 1.748 ( -0.961 0.924 -0.164) 1.343 1.767 ( 0.165 2.166 -1.028) 2.403 1.792 ( -2.630 -1.615 -0.773) 3.182 1.835 ( -4.968 3.118 -1.527) 6.061 1.895 ( 0.179 1.498 -0.584) 1.617 1.901 ( 1.180 1.743 0.820) 2.259 1.942 ( 0.291 3.355 -1.261) 3.596 1.984 ( -2.098 0.660 -1.509) 2.667 2.109 ( 1.207 -1.194 5.151) 5.423 2.134 ( -0.360 -1.635 2.323) 2.863 2.142 ( -0.487 -2.940 1.375) 3.282 2.155 ( -1.875 -2.090 0.916) 2.954 2.275 ( 0.488 -1.827 -0.988) 2.134 2.289 ( -0.660 -1.796 -0.766) 2.061 2.552 ( 0.962 0.649 8.892) 8.968 2.572 ( -0.592 0.140 9.429) 9.449 2.640 ( -1.618 0.017 0.178) 1.628 2.652 ( -2.854 -0.416 0.533) 2.933 3.049 ( 5.777 4.283 0.906) 7.249 3.099 ( 1.309 5.354 3.585) 6.575 3.158 ( 0.286 2.229 13.438) 13.624 3.213 ( -4.952 2.564 15.608) 16.574 3.383 ( 4.746 -1.393 11.967) 12.949 3.456 ( -2.692 -1.037 12.526) 12.854 3.595 ( 1.742 -3.316 6.936) 7.883 3.623 ( -1.169 -3.678 7.033) 8.022 3.690 ( 2.651 1.189 5.166) 5.927 3.724 ( 0.186 0.416 4.820) 4.841 3.829 ( 5.642 -0.427 -0.762) 5.709 3.840 ( 3.355 -0.810 1.530) 3.775 4.055 ( 12.771 6.371 -7.066) 15.926 4.213 ( 6.866 -2.089 -5.156) 8.837 4.271 ( -0.973 -0.761 -1.940) 2.300 4.366 ( 4.497 -2.183 -3.123) 5.895 4.468 ( -0.223 2.216 -7.707) 8.023 4.667 ( -7.065 -4.017 -5.260) 9.680 4.771 ( -0.101 1.794 -4.355) 4.711 4.845 ( -6.766 -0.395 -9.722) 11.851 4.886 ( 1.313 -0.844 -3.197) 3.558 4.946 ( -5.901 -2.628 -7.957) 10.249 5.291 ( 1.534 0.887 0.829) 1.956 5.325 ( -1.779 -1.157 -0.469) 2.174 5.491 ( 3.405 2.641 0.561) 4.346 5.549 ( -2.223 0.539 -1.160) 2.565 5.767 ( 2.025 -1.256 1.366) 2.747 5.795 ( -0.903 -2.030 0.699) 2.330 6.172 ( 1.380 1.646 2.576) 3.354 6.206 ( -1.994 0.478 2.450) 3.195 6.575 ( 2.506 -0.045 -1.376) 2.860 6.632 ( -3.076 -2.313 -2.002) 4.338 6.993 ( -0.251 -2.349 2.837) 3.692 7.005 ( -1.548 -3.038 2.167) 4.040 7.179 ( 0.319 -0.825 -0.637) 1.090 7.188 ( -0.542 -0.788 -0.143) 0.967 7.428 ( 1.336 0.940 7.602) 7.776 7.448 ( -0.415 -0.169 8.073) 8.086 7.560 ( 0.888 2.590 -2.582) 3.763 7.571 ( -0.251 1.862 -3.265) 3.766 8.005 ( 0.936 -0.270 -6.044) 6.122 8.014 ( -0.063 -0.689 -6.904) 6.938 8.284 ( 0.618 -0.246 0.978) 1.183 8.304 ( -1.234 -0.400 1.056) 1.672 8.500 ( 4.793 4.115 0.437) 6.332 8.602 ( -5.299 0.317 -1.765) 5.594 8.900 ( 0.095 -1.390 1.105) 1.778 8.909 ( -0.745 -1.318 1.365) 2.039 9.031 ( 1.758 1.271 3.010) 3.710 9.070 ( -1.966 1.716 3.057) 4.019 9.080 ( 0.491 0.095 2.412) 2.463 9.092 ( -0.649 -0.268 1.640) 1.783 9.297 ( 2.118 -1.139 -4.224) 4.861 9.310 ( 1.019 -1.758 -4.559) 4.992 9.455 ( 4.231 0.605 7.381) 8.529 9.520 ( 0.250 -0.523 5.544) 5.574 9.596 ( -2.265 5.166 0.794) 5.696 9.630 ( -2.352 4.864 -1.429) 5.589 9.751 ( 0.223 -0.515 0.223) 0.604 9.789 ( -2.108 -0.543 1.216) 2.493 9.798 ( 2.447 2.993 -1.551) 4.165 9.871 ( -2.714 0.165 0.565) 2.777 9.980 ( 0.811 -0.250 3.821) 3.914 10.009 ( -0.888 -1.447 3.403) 3.803 10.075 ( 0.730 3.777 -2.129) 4.397 10.136 ( -5.133 3.427 -2.899) 6.819 10.197 ( 3.472 -2.538 -3.919) 5.818 10.274 ( -3.259 -1.861 -4.411) 5.791 10.301 ( 0.111 -3.394 -3.498) 4.875 10.343 ( -2.848 -3.032 -5.084) 6.569 10.655 ( 2.682 1.963 2.730) 4.301 10.705 ( -1.937 1.238 1.682) 2.848 10.789 ( 2.530 -0.672 2.594) 3.686 10.840 ( -1.994 -1.783 2.160) 3.438 10.915 ( 4.343 0.237 -5.888) 7.320 10.954 ( 2.608 -0.820 -7.365) 7.856 11.090 ( -0.346 -4.064 -0.230) 4.085 11.136 ( -2.692 -5.102 -0.158) 5.771 11.242 ( 0.226 0.863 0.175) 0.910 11.248 ( 0.379 1.237 -0.045) 1.295 11.265 ( -1.142 0.417 0.360) 1.268 11.284 ( -2.169 0.197 1.828) 2.843 11.408 ( 5.237 5.772 -0.481) 7.808 11.490 ( -1.468 2.471 -3.173) 4.281 11.721 ( 1.932 3.488 -2.533) 4.724 11.810 ( -5.975 1.868 -3.162) 7.014 11.935 ( 3.608 -5.799 2.539) 7.286 12.023 ( -5.780 -6.306 2.311) 8.861 12.215 ( 0.951 2.597 3.540) 4.492 12.252 ( -2.849 1.662 4.151) 5.302 12.511 ( 0.978 0.374 -3.884) 4.023 12.524 ( -0.255 0.001 -3.736) 3.744 12.868 ( 7.426 1.258 -5.600) 9.385 12.962 ( -1.690 -2.594 -8.599) 9.139 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 -9.045 4.736) 10.210 0.765 ( 0.000 9.045 4.736) 10.210 0.896 ( 0.000 -10.381 4.362) 11.260 0.896 ( 0.000 10.381 4.362) 11.260 1.055 ( 0.000 -0.091 1.950) 1.952 1.055 ( 0.000 0.091 1.950) 1.952 1.196 ( 0.000 -1.443 -0.831) 1.665 1.196 ( 0.000 1.443 -0.831) 1.665 1.276 ( 0.000 -1.535 -2.337) 2.796 1.276 ( 0.000 1.535 -2.337) 2.796 1.325 ( 0.000 -3.772 -0.503) 3.806 1.325 ( 0.000 3.772 -0.503) 3.806 1.436 ( 0.000 -7.237 4.783) 8.674 1.436 ( 0.000 7.237 4.783) 8.674 1.495 ( 0.000 -2.279 8.032) 8.349 1.495 ( 0.000 2.279 8.032) 8.349 1.655 ( 0.000 -4.321 0.265) 4.329 1.655 ( 0.000 4.321 0.265) 4.329 1.736 ( 0.000 -1.508 1.215) 1.936 1.736 ( 0.000 1.508 1.215) 1.936 1.749 ( 0.000 -0.675 8.231) 8.258 1.749 ( 0.000 0.675 8.231) 8.258 1.863 ( 0.000 -0.235 -0.349) 0.421 1.863 ( 0.000 0.235 -0.349) 0.421 1.951 ( 0.000 -0.297 -1.791) 1.816 1.951 ( 0.000 0.297 -1.791) 1.816 2.010 ( 0.000 -2.653 -0.556) 2.711 2.010 ( 0.000 2.653 -0.556) 2.711 2.132 ( 0.000 -1.343 7.693) 7.809 2.132 ( 0.000 1.343 7.693) 7.809 2.160 ( 0.000 -0.703 -1.752) 1.888 2.160 ( 0.000 0.703 -1.752) 1.888 2.325 ( 0.000 -2.296 1.316) 2.647 2.325 ( 0.000 2.296 1.316) 2.647 2.597 ( 0.000 -1.352 13.281) 13.350 2.597 ( 0.000 1.352 13.281) 13.350 2.721 ( 0.000 -0.498 0.638) 0.809 2.721 ( 0.000 0.498 0.638) 0.809 2.847 ( 0.000 -1.514 -2.207) 2.676 2.847 ( 0.000 1.514 -2.207) 2.676 3.152 ( 0.000 -1.251 10.941) 11.012 3.152 ( 0.000 1.251 10.941) 11.012 3.344 ( 0.000 -8.856 0.463) 8.868 3.344 ( 0.000 8.856 0.463) 8.868 3.513 ( 0.000 -5.191 13.918) 14.855 3.513 ( 0.000 5.191 13.918) 14.855 3.542 ( 0.000 -1.582 4.666) 4.927 3.542 ( 0.000 1.582 4.666) 4.927 3.740 ( 0.000 -6.926 11.520) 13.441 3.740 ( 0.000 6.926 11.520) 13.441 3.963 ( 0.000 -8.759 0.368) 8.767 3.963 ( 0.000 8.759 0.368) 8.767 4.272 ( 0.000 -2.086 -0.860) 2.256 4.272 ( 0.000 2.086 -0.860) 2.256 4.681 ( 0.000 -6.051 -3.816) 7.154 4.681 ( 0.000 6.051 -3.816) 7.154 4.772 ( 0.000 -1.185 -0.136) 1.192 4.772 ( 0.000 1.185 -0.136) 1.192 5.097 ( 0.000 -0.406 -14.109) 14.115 5.097 ( 0.000 0.406 -14.109) 14.115 5.357 ( 0.000 -4.172 -0.001) 4.172 5.357 ( 0.000 4.172 -0.001) 4.172 5.465 ( 0.000 -7.040 -6.604) 9.653 5.465 ( 0.000 7.040 -6.604) 9.653 5.757 ( 0.000 -3.253 1.047) 3.417 5.757 ( 0.000 3.253 1.047) 3.417 6.201 ( 0.000 -3.191 3.829) 4.985 6.201 ( 0.000 3.191 3.829) 4.985 6.614 ( 0.000 -4.902 -4.630) 6.743 6.614 ( 0.000 4.902 -4.630) 6.743 7.018 ( 0.000 -1.659 4.421) 4.722 7.018 ( 0.000 1.659 4.421) 4.722 7.177 ( 0.000 -0.514 -3.485) 3.522 7.177 ( 0.000 0.514 -3.485) 3.522 7.429 ( 0.000 -0.810 8.486) 8.525 7.429 ( 0.000 0.810 8.486) 8.525 7.565 ( 0.000 -1.071 -2.256) 2.497 7.565 ( 0.000 1.071 -2.256) 2.497 7.993 ( 0.000 -1.055 -7.322) 7.397 7.993 ( 0.000 1.055 -7.322) 7.397 8.313 ( 0.000 -1.567 -0.115) 1.572 8.313 ( 0.000 1.567 -0.115) 1.572 8.573 ( 0.000 -9.617 0.479) 9.629 8.573 ( 0.000 9.617 0.479) 9.629 8.922 ( 0.000 -0.516 0.774) 0.930 8.922 ( 0.000 0.516 0.774) 0.930 9.015 ( 0.000 -1.818 3.726) 4.146 9.015 ( 0.000 1.818 3.726) 4.146 9.096 ( 0.000 -1.384 1.608) 2.122 9.096 ( 0.000 1.384 1.608) 2.122 9.258 ( 0.000 -1.131 -1.888) 2.200 9.258 ( 0.000 1.131 -1.888) 2.200 9.424 ( 0.000 -4.741 5.425) 7.205 9.424 ( 0.000 4.741 5.425) 7.205 9.721 ( 0.000 -0.418 4.545) 4.564 9.721 ( 0.000 0.418 4.545) 4.564 9.762 ( 0.000 -1.754 -0.195) 1.765 9.762 ( 0.000 1.754 -0.195) 1.765 9.870 ( 0.000 -0.117 -3.619) 3.621 9.870 ( 0.000 0.117 -3.619) 3.621 9.997 ( 0.000 -0.763 1.481) 1.666 9.997 ( 0.000 0.763 1.481) 1.666 10.205 ( 0.000 -4.727 -1.839) 5.072 10.205 ( 0.000 4.727 -1.839) 5.072 10.231 ( 0.000 -6.606 -3.365) 7.414 10.231 ( 0.000 6.606 -3.365) 7.414 10.447 ( 0.000 -1.299 -5.472) 5.624 10.447 ( 0.000 1.299 -5.472) 5.624 10.618 ( 0.000 -2.081 3.018) 3.666 10.618 ( 0.000 2.081 3.018) 3.666 10.745 ( 0.000 -1.333 -7.698) 7.812 10.745 ( 0.000 1.333 -7.698) 7.812 10.858 ( 0.000 -0.910 -1.746) 1.969 10.858 ( 0.000 0.910 -1.746) 1.969 11.125 ( 0.000 -0.185 0.771) 0.793 11.125 ( 0.000 0.185 0.771) 0.793 11.257 ( 0.000 -0.189 -0.757) 0.780 11.257 ( 0.000 0.189 -0.757) 0.780 11.313 ( 0.000 -0.334 -1.891) 1.920 11.313 ( 0.000 0.334 -1.891) 1.920 11.387 ( 0.000 -0.613 -2.802) 2.868 11.387 ( 0.000 0.613 -2.802) 2.868 11.803 ( 0.000 -0.416 0.916) 1.006 11.803 ( 0.000 0.416 0.916) 1.006 12.199 ( 0.000 -7.561 3.178) 8.202 12.199 ( 0.000 7.561 3.178) 8.202 12.275 ( 0.000 -5.719 -0.045) 5.720 12.275 ( 0.000 5.719 -0.045) 5.720 12.472 ( 0.000 -0.047 -2.295) 2.295 12.472 ( 0.000 0.047 -2.295) 2.295 12.711 ( 0.000 -5.666 -2.423) 6.163 12.711 ( 0.000 5.666 -2.423) 6.163 ======================= Grid point 62 (26/36) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.025 -11.156 4.209) 11.923 0.750 ( 0.025 11.156 4.209) 11.923 0.921 ( 1.533 -7.164 4.027) 8.360 0.921 ( 1.533 7.164 4.027) 8.360 1.041 ( -1.399 -1.197 2.704) 3.271 1.041 ( -1.399 1.197 2.704) 3.271 1.177 ( -2.003 -0.812 0.264) 2.177 1.177 ( -2.003 0.812 0.264) 2.177 1.257 ( -4.151 -2.257 -0.518) 4.753 1.257 ( -4.151 2.257 -0.518) 4.753 1.280 ( -0.731 -2.268 -1.863) 3.025 1.280 ( -0.731 2.268 -1.863) 3.025 1.437 ( 0.120 -4.954 2.800) 5.692 1.437 ( 0.120 4.954 2.800) 5.692 1.511 ( 0.874 -1.705 7.141) 7.394 1.511 ( 0.874 1.705 7.141) 7.394 1.658 ( 0.609 -3.272 1.457) 3.633 1.658 ( 0.609 3.272 1.457) 3.633 1.724 ( -0.846 -0.375 1.135) 1.465 1.724 ( -0.846 0.375 1.135) 1.465 1.771 ( 0.248 -2.690 5.900) 6.489 1.771 ( 0.248 2.690 5.900) 6.489 1.851 ( 0.545 -0.482 -2.502) 2.606 1.851 ( 0.545 0.482 -2.502) 2.606 1.957 ( -1.441 -0.438 -0.988) 1.801 1.957 ( -1.441 0.438 -0.988) 1.801 1.988 ( -1.183 -0.727 -0.408) 1.447 1.988 ( -1.183 0.727 -0.408) 1.447 2.098 ( -1.705 -0.396 4.580) 4.903 2.098 ( -1.705 0.396 4.580) 4.903 2.167 ( -0.953 -1.734 0.374) 2.014 2.167 ( -0.953 1.734 0.374) 2.014 2.288 ( -2.511 -1.025 0.908) 2.860 2.288 ( -2.511 1.025 0.908) 2.860 2.548 ( -0.621 -0.469 10.629) 10.657 2.548 ( -0.621 0.469 10.629) 10.657 2.696 ( -2.498 -0.768 0.057) 2.614 2.696 ( -2.498 0.768 0.057) 2.614 3.020 ( 9.567 -5.123 -0.724) 10.876 3.020 ( 9.567 5.123 -0.724) 10.876 3.174 ( 2.353 -3.791 12.056) 12.855 3.174 ( 2.353 3.791 12.056) 12.855 3.405 ( 0.708 -5.004 7.466) 9.016 3.405 ( 0.708 5.004 7.466) 9.016 3.536 ( 5.011 -0.622 7.193) 8.788 3.536 ( 5.011 0.622 7.193) 8.788 3.593 ( 7.447 -1.753 3.354) 8.353 3.593 ( 7.447 1.753 3.354) 8.353 3.766 ( 2.045 -6.160 9.707) 11.677 3.766 ( 2.045 6.160 9.707) 11.677 3.974 ( 2.603 -6.284 0.364) 6.811 3.974 ( 2.603 6.284 0.364) 6.811 4.265 ( -0.554 -2.005 0.219) 2.092 4.265 ( -0.554 2.005 0.219) 2.092 4.656 ( -2.251 -5.727 -3.633) 7.146 4.656 ( -2.251 5.727 -3.633) 7.146 4.800 ( 2.016 -2.030 -1.239) 3.118 4.800 ( 2.016 2.030 -1.239) 3.118 5.039 ( -6.275 -1.911 -14.373) 15.799 5.039 ( -6.275 1.911 -14.373) 15.799 5.332 ( -1.667 -2.340 -1.439) 3.214 5.332 ( -1.667 2.340 -1.439) 3.214 5.492 ( 2.318 -4.951 -3.151) 6.310 5.492 ( 2.318 4.951 -3.151) 6.310 5.760 ( 0.226 -2.627 1.193) 2.894 5.760 ( 0.226 2.627 1.193) 2.894 6.201 ( 0.000 -2.700 3.400) 4.341 6.201 ( 0.000 2.700 3.400) 4.341 6.604 ( -0.852 -4.205 -3.733) 5.688 6.604 ( -0.852 4.205 -3.733) 5.688 6.999 ( -1.771 -1.080 2.930) 3.590 6.999 ( -1.771 1.080 2.930) 3.590 7.176 ( 0.019 -0.691 -1.435) 1.593 7.176 ( 0.019 0.691 -1.435) 1.593 7.433 ( 0.329 -0.973 8.820) 8.880 7.433 ( 0.329 0.973 8.820) 8.880 7.576 ( 0.976 -0.836 -3.353) 3.591 7.576 ( 0.976 0.836 -3.353) 3.591 7.997 ( 0.346 -0.810 -6.884) 6.940 7.997 ( 0.346 0.810 -6.884) 6.940 8.304 ( -0.774 -1.627 0.235) 1.818 8.304 ( -0.774 1.627 0.235) 1.818 8.574 ( 0.093 -8.053 0.051) 8.054 8.574 ( 0.093 8.053 0.051) 8.054 8.909 ( -1.115 -0.797 0.781) 1.577 8.909 ( -1.115 0.797 0.781) 1.577 9.028 ( 1.213 -1.947 3.043) 3.811 9.028 ( 1.213 1.947 3.043) 3.811 9.102 ( 0.269 -0.945 2.030) 2.255 9.102 ( 0.269 0.945 2.030) 2.255 9.267 ( 0.970 -1.013 -2.584) 2.940 9.267 ( 0.970 1.013 -2.584) 2.940 9.444 ( 1.865 -4.308 6.441) 7.970 9.444 ( 1.865 4.308 6.441) 7.970 9.693 ( -1.570 -1.629 3.229) 3.943 9.693 ( -1.570 1.629 3.229) 3.943 9.798 ( 2.204 -4.898 -0.392) 5.385 9.798 ( 2.204 4.898 -0.392) 5.385 9.838 ( -2.718 -2.136 -2.906) 4.517 9.838 ( -2.718 2.136 -2.906) 4.517 9.997 ( -0.111 -0.329 2.713) 2.735 9.997 ( -0.111 0.329 2.713) 2.735 10.183 ( -1.703 -3.196 -3.549) 5.070 10.183 ( -1.703 3.196 -3.549) 5.070 10.230 ( -0.334 -4.221 -2.211) 4.776 10.230 ( -0.334 4.221 -2.211) 4.776 10.365 ( -6.623 -1.495 -5.584) 8.791 10.365 ( -6.623 1.495 -5.584) 8.791 10.644 ( 2.631 -2.568 2.844) 4.648 10.644 ( 2.631 2.568 2.844) 4.648 10.785 ( 2.674 -1.114 -3.110) 4.250 10.785 ( 2.674 1.114 -3.110) 4.250 10.872 ( 1.355 -1.829 -3.558) 4.224 10.872 ( 1.355 1.829 -3.558) 4.224 11.113 ( -1.350 -1.273 0.242) 1.871 11.113 ( -1.350 1.273 0.242) 1.871 11.259 ( -0.169 -1.004 -1.216) 1.585 11.259 ( -0.169 1.004 -1.216) 1.585 11.305 ( -1.044 -1.445 0.425) 1.832 11.305 ( -1.044 1.445 0.425) 1.832 11.414 ( 3.249 -3.067 -4.093) 6.060 11.414 ( 3.249 3.067 -4.093) 6.060 11.808 ( 0.388 -3.052 0.790) 3.177 11.808 ( 0.388 3.052 0.790) 3.177 12.056 ( -10.157 -6.861 1.101) 12.307 12.056 ( -10.157 6.861 1.101) 12.307 12.272 ( -0.786 -4.087 3.814) 5.645 12.272 ( -0.786 4.087 3.814) 5.645 12.498 ( 1.531 -0.777 -3.091) 3.536 12.498 ( 1.531 0.777 -3.091) 3.536 12.806 ( 6.962 -6.347 -5.225) 10.772 12.806 ( 6.962 6.347 -5.225) 10.772 ======================= Grid point 64 (27/36) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 2.654 -7.845 2.528) 8.659 0.783 ( 2.654 7.845 2.528) 8.659 0.919 ( -2.330 -4.321 0.492) 4.933 0.919 ( -2.330 4.321 0.492) 4.933 1.034 ( 2.011 -4.202 6.342) 7.869 1.034 ( 2.011 4.202 6.342) 7.869 1.104 ( -4.369 -2.426 3.805) 6.282 1.104 ( -4.369 2.426 3.805) 6.282 1.224 ( 0.762 -0.921 -1.732) 2.105 1.224 ( 0.762 0.921 -1.732) 2.105 1.264 ( -1.284 -1.628 -2.035) 2.906 1.264 ( -1.284 1.628 -2.035) 2.906 1.452 ( 1.554 -2.440 3.342) 4.420 1.452 ( 1.554 2.440 3.342) 4.420 1.497 ( -2.156 -1.319 3.437) 4.267 1.497 ( -2.156 1.319 3.437) 4.267 1.673 ( 0.605 -1.776 3.128) 3.648 1.673 ( 0.605 1.776 3.128) 3.648 1.732 ( 1.523 -3.265 -0.092) 3.604 1.732 ( 1.523 3.265 -0.092) 3.604 1.750 ( -0.968 -0.786 -0.028) 1.247 1.750 ( -0.968 0.786 -0.028) 1.247 1.833 ( -3.483 -3.144 -2.015) 5.106 1.833 ( -3.483 3.144 -2.015) 5.106 1.911 ( -0.817 -0.633 1.476) 1.802 1.911 ( -0.817 0.633 1.476) 1.802 1.985 ( 0.202 -1.013 -0.826) 1.322 1.985 ( 0.202 1.013 -0.826) 1.322 2.104 ( 1.365 -0.953 2.416) 2.934 2.104 ( 1.365 0.953 2.416) 2.934 2.128 ( -1.875 -0.901 1.207) 2.405 2.128 ( -1.875 0.901 1.207) 2.405 2.259 ( -0.556 -0.696 -0.189) 0.910 2.259 ( -0.556 0.696 -0.189) 0.910 2.567 ( 1.268 -0.657 7.861) 7.990 2.567 ( 1.268 0.657 7.861) 7.990 2.643 ( -2.143 -0.364 0.377) 2.206 2.643 ( -2.143 0.364 0.377) 2.206 3.128 ( 2.659 -2.748 3.344) 5.080 3.128 ( 2.659 2.748 3.344) 5.080 3.217 ( 0.734 -3.548 14.547) 14.991 3.217 ( 0.734 3.548 14.547) 14.991 3.397 ( 0.341 -3.993 10.506) 11.245 3.397 ( 0.341 3.993 10.506) 11.245 3.553 ( -0.664 -1.389 5.270) 5.491 3.553 ( -0.664 1.389 5.270) 5.491 3.778 ( 2.254 -3.740 1.793) 4.720 3.778 ( 2.254 3.740 1.793) 4.720 3.796 ( 2.572 -3.336 8.265) 9.276 3.796 ( 2.572 3.336 8.265) 9.276 4.155 ( 11.150 -4.250 -6.127) 13.413 4.155 ( 11.150 4.250 -6.127) 13.413 4.284 ( 6.793 -3.360 0.628) 7.604 4.284 ( 6.793 3.360 0.628) 7.604 4.566 ( -9.054 -6.231 -6.981) 13.020 4.566 ( -9.054 6.231 -6.981) 13.020 4.812 ( -1.879 -2.438 -5.487) 6.291 4.812 ( -1.879 2.438 -5.487) 6.291 4.898 ( -4.161 -1.909 -6.343) 7.823 4.898 ( -4.161 1.909 -6.343) 7.823 5.311 ( -0.452 -0.801 -2.012) 2.213 5.311 ( -0.452 0.801 -2.012) 2.213 5.537 ( 1.659 -1.969 -0.361) 2.600 5.537 ( 1.659 1.969 -0.361) 2.600 5.761 ( -0.158 -1.042 1.117) 1.535 5.761 ( -0.158 1.042 1.117) 1.535 6.201 ( 0.006 -1.106 2.736) 2.951 6.201 ( 0.006 1.106 2.736) 2.951 6.589 ( -0.461 -1.763 -2.155) 2.822 6.589 ( -0.461 1.763 -2.155) 2.822 6.966 ( -1.188 -0.304 1.167) 1.693 6.966 ( -1.188 0.304 1.167) 1.693 7.179 ( 0.176 -0.440 0.854) 0.977 7.179 ( 0.176 0.440 0.854) 0.977 7.438 ( 0.178 -0.541 9.465) 9.482 7.438 ( 0.178 0.541 9.465) 9.482 7.593 ( 0.538 -0.316 -5.020) 5.059 7.593 ( 0.538 0.316 -5.020) 5.059 8.002 ( 0.136 -0.281 -6.161) 6.168 8.002 ( 0.136 0.281 -6.161) 6.168 8.291 ( -0.390 -0.756 0.671) 1.083 8.291 ( -0.390 0.756 0.671) 1.083 8.577 ( 0.183 -3.215 -0.573) 3.271 8.577 ( 0.183 3.215 -0.573) 3.271 8.889 ( -0.697 -0.470 0.792) 1.155 8.889 ( -0.697 0.470 0.792) 1.155 9.056 ( 1.437 -1.379 2.156) 2.935 9.056 ( 1.437 1.379 2.156) 2.935 9.095 ( -0.932 -0.378 2.705) 2.886 9.095 ( -0.932 0.378 2.705) 2.886 9.292 ( 1.192 -0.420 -4.321) 4.502 9.292 ( 1.192 0.420 -4.321) 4.502 9.480 ( 1.262 -2.251 9.213) 9.568 9.480 ( 1.262 2.251 9.213) 9.568 9.679 ( 0.307 -1.775 1.302) 2.222 9.679 ( 0.307 1.775 1.302) 2.222 9.758 ( -3.306 -2.328 -2.364) 4.684 9.758 ( -3.306 2.328 -2.364) 4.684 9.855 ( 1.899 -2.224 -1.084) 3.119 9.855 ( 1.899 2.224 -1.084) 3.119 9.986 ( -0.902 -0.915 4.467) 4.649 9.986 ( -0.902 0.915 4.467) 4.649 10.165 ( 0.391 -3.370 -4.880) 5.944 10.165 ( 0.391 3.370 -4.880) 5.944 10.205 ( -2.524 -3.745 -3.435) 5.674 10.205 ( -2.524 3.745 -3.435) 5.674 10.268 ( -2.005 -2.658 -2.703) 4.288 10.268 ( -2.005 2.658 -2.703) 4.288 10.699 ( 2.277 -2.065 2.453) 3.933 10.699 ( 2.277 2.065 2.453) 3.933 10.800 ( -0.854 -1.977 1.972) 2.920 10.800 ( -0.854 1.977 1.972) 2.920 10.930 ( 4.010 -1.363 -6.477) 7.739 10.930 ( 4.010 1.363 -6.477) 7.739 11.067 ( -3.096 -1.623 -0.673) 3.559 11.067 ( -3.096 1.623 -0.673) 3.559 11.257 ( 0.403 -0.574 0.341) 0.780 11.257 ( 0.403 0.574 0.341) 0.780 11.277 ( -1.475 -0.815 1.936) 2.567 11.277 ( -1.475 0.815 1.936) 2.567 11.493 ( 3.385 -2.436 -5.032) 6.536 11.493 ( 3.385 2.436 -5.032) 6.536 11.810 ( -0.401 -5.302 -1.413) 5.501 11.810 ( -0.401 5.302 -1.413) 5.501 11.897 ( -4.701 -5.782 2.213) 7.773 11.897 ( -4.701 5.782 2.213) 7.773 12.256 ( -0.603 -1.204 4.380) 4.582 12.256 ( -0.603 1.204 4.380) 4.582 12.520 ( 0.658 -0.443 -3.688) 3.772 12.520 ( 0.658 0.443 -3.688) 3.772 12.907 ( 2.780 -2.834 -7.250) 8.266 12.907 ( 2.780 2.834 -7.250) 8.266 ======================= Grid point 75 (28/36) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 0.000 13.124) 13.124 0.787 ( 0.000 0.000 1.812) 1.812 0.988 ( 0.000 0.000 1.293) 1.293 1.014 ( 0.000 0.000 -2.567) 2.567 1.017 ( 0.000 0.000 -2.042) 2.042 1.072 ( 0.000 0.000 -3.586) 3.586 1.221 ( 0.000 0.000 7.160) 7.160 1.274 ( 0.000 0.000 1.967) 1.967 1.292 ( 0.000 0.000 0.141) 0.141 1.357 ( 0.000 0.000 -5.353) 5.353 1.394 ( 0.000 0.000 -0.570) 0.570 1.424 ( 0.000 0.000 -4.533) 4.533 1.539 ( 0.000 0.000 2.462) 2.462 1.550 ( 0.000 0.000 0.484) 0.484 1.606 ( 0.000 0.000 7.101) 7.101 1.633 ( 0.000 0.000 5.412) 5.412 1.649 ( 0.000 0.000 8.571) 8.571 1.688 ( 0.000 0.000 -2.381) 2.381 1.731 ( 0.000 0.000 -1.556) 1.556 1.733 ( 0.000 0.000 -0.278) 0.278 1.782 ( 0.000 0.000 1.272) 1.272 1.800 ( 0.000 0.000 -1.642) 1.642 1.833 ( 0.000 0.000 1.965) 1.965 1.886 ( 0.000 0.000 -0.551) 0.551 1.906 ( 0.000 0.000 1.072) 1.072 1.935 ( 0.000 0.000 1.696) 1.696 1.946 ( 0.000 0.000 -2.624) 2.624 1.961 ( 0.000 0.000 -2.772) 2.772 2.140 ( 0.000 0.000 2.121) 2.121 2.164 ( 0.000 0.000 0.107) 0.107 2.249 ( 0.000 0.000 3.756) 3.756 2.266 ( 0.000 0.000 2.380) 2.380 2.301 ( 0.000 0.000 0.656) 0.656 2.331 ( 0.000 0.000 -2.779) 2.779 2.730 ( 0.000 0.000 0.813) 0.813 2.736 ( 0.000 0.000 2.885) 2.885 2.747 ( 0.000 0.000 -0.735) 0.735 2.769 ( 0.000 0.000 -1.280) 1.280 2.880 ( 0.000 0.000 8.049) 8.049 2.950 ( 0.000 0.000 1.304) 1.304 3.211 ( 0.000 0.000 2.982) 2.982 3.252 ( 0.000 0.000 -1.113) 1.113 3.432 ( 0.000 0.000 10.247) 10.247 3.547 ( 0.000 0.000 3.207) 3.207 3.633 ( 0.000 0.000 -4.613) 4.613 3.657 ( 0.000 0.000 -2.095) 2.095 3.666 ( 0.000 0.000 10.777) 10.777 3.734 ( 0.000 0.000 2.727) 2.727 3.789 ( 0.000 0.000 -2.781) 2.781 3.825 ( 0.000 0.000 -5.151) 5.151 3.935 ( 0.000 0.000 21.436) 21.436 4.210 ( 0.000 0.000 -6.881) 6.881 4.237 ( 0.000 0.000 22.447) 22.447 4.276 ( 0.000 0.000 4.405) 4.405 4.397 ( 0.000 0.000 -6.996) 6.996 4.693 ( 0.000 0.000 -23.022) 23.022 4.733 ( 0.000 0.000 0.688) 0.688 4.753 ( 0.000 0.000 -1.182) 1.182 4.757 ( 0.000 0.000 -1.675) 1.675 4.850 ( 0.000 0.000 -13.048) 13.048 5.306 ( 0.000 0.000 5.708) 5.708 5.400 ( 0.000 0.000 -3.776) 3.776 5.437 ( 0.000 0.000 4.382) 4.382 5.528 ( 0.000 0.000 -5.148) 5.148 5.722 ( 0.000 0.000 3.355) 3.355 5.777 ( 0.000 0.000 -2.401) 2.401 6.199 ( 0.000 0.000 4.277) 4.277 6.278 ( 0.000 0.000 -3.099) 3.099 6.536 ( 0.000 0.000 4.632) 4.632 6.646 ( 0.000 0.000 -5.967) 5.967 7.142 ( 0.000 0.000 4.693) 4.693 7.167 ( 0.000 0.000 -0.453) 0.453 7.171 ( 0.000 0.000 1.734) 1.734 7.178 ( 0.000 0.000 -1.385) 1.385 7.429 ( 0.000 0.000 -0.772) 0.772 7.460 ( 0.000 0.000 -4.064) 4.064 7.587 ( 0.000 0.000 11.399) 11.399 7.639 ( 0.000 0.000 9.452) 9.452 7.808 ( 0.000 0.000 -11.111) 11.111 7.814 ( 0.000 0.000 -8.217) 8.217 8.263 ( 0.000 0.000 1.312) 1.312 8.302 ( 0.000 0.000 -2.229) 2.229 8.524 ( 0.000 0.000 8.701) 8.701 8.681 ( 0.000 0.000 -7.459) 7.459 8.912 ( 0.000 0.000 0.857) 0.857 8.927 ( 0.000 0.000 -0.645) 0.645 9.108 ( 0.000 0.000 4.355) 4.355 9.138 ( 0.000 0.000 2.292) 2.292 9.153 ( 0.000 0.000 0.774) 0.774 9.163 ( 0.000 0.000 -0.836) 0.836 9.195 ( 0.000 0.000 -0.074) 0.074 9.218 ( 0.000 0.000 -2.494) 2.494 9.314 ( 0.000 0.000 1.044) 1.044 9.353 ( 0.000 0.000 -0.961) 0.961 9.679 ( 0.000 0.000 1.408) 1.408 9.704 ( 0.000 0.000 2.163) 2.163 9.714 ( 0.000 0.000 -0.301) 0.301 9.737 ( 0.000 0.000 -4.201) 4.201 9.848 ( 0.000 0.000 0.968) 0.968 9.932 ( 0.000 0.000 -6.567) 6.567 9.965 ( 0.000 0.000 7.143) 7.143 10.095 ( 0.000 0.000 -6.365) 6.365 10.126 ( 0.000 0.000 6.053) 6.053 10.181 ( 0.000 0.000 3.812) 3.812 10.254 ( 0.000 0.000 -0.399) 0.399 10.281 ( 0.000 0.000 -4.155) 4.155 10.353 ( 0.000 0.000 -3.512) 3.512 10.378 ( 0.000 0.000 -3.107) 3.107 10.592 ( 0.000 0.000 -0.741) 0.741 10.630 ( 0.000 0.000 -4.818) 4.818 10.712 ( 0.000 0.000 3.699) 3.699 10.773 ( 0.000 0.000 2.687) 2.687 10.779 ( 0.000 0.000 -3.006) 3.006 10.815 ( 0.000 0.000 -1.461) 1.461 11.169 ( 0.000 0.000 -1.908) 1.908 11.185 ( 0.000 0.000 -1.999) 1.999 11.211 ( 0.000 0.000 1.942) 1.942 11.242 ( 0.000 0.000 -1.456) 1.456 11.261 ( 0.000 0.000 -0.802) 0.802 11.294 ( 0.000 0.000 2.414) 2.414 11.295 ( 0.000 0.000 -2.383) 2.383 11.330 ( 0.000 0.000 -1.636) 1.636 11.882 ( 0.000 0.000 3.384) 3.384 11.931 ( 0.000 0.000 -1.540) 1.540 11.952 ( 0.000 0.000 6.405) 6.405 12.060 ( 0.000 0.000 -4.924) 4.924 12.417 ( 0.000 0.000 -0.222) 0.222 12.428 ( 0.000 0.000 -0.243) 0.243 12.449 ( 0.000 0.000 2.609) 2.609 12.519 ( 0.000 0.000 -3.363) 3.363 12.603 ( 0.000 0.000 5.965) 5.965 12.727 ( 0.000 0.000 -6.660) 6.660 ======================= Grid point 76 (29/36) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 13.279 0.000 8.308) 15.663 0.850 ( 5.419 0.000 5.540) 7.750 0.990 ( -0.400 0.000 2.471) 2.504 1.007 ( 0.523 0.000 -0.683) 0.861 1.068 ( 3.883 0.000 -4.387) 5.858 1.086 ( 1.358 0.000 -2.805) 3.116 1.184 ( -5.020 0.000 0.792) 5.083 1.215 ( -5.197 0.000 -1.618) 5.443 1.233 ( 0.215 0.000 6.418) 6.422 1.353 ( -4.836 0.000 -4.917) 6.897 1.371 ( -2.688 0.000 0.474) 2.729 1.396 ( 0.133 0.000 -2.047) 2.051 1.498 ( -2.730 0.000 3.728) 4.621 1.526 ( -1.330 0.000 0.889) 1.600 1.623 ( -3.970 0.000 9.098) 9.926 1.649 ( 3.214 0.000 4.900) 5.860 1.661 ( 1.586 0.000 2.082) 2.617 1.700 ( -1.699 0.000 -0.705) 1.839 1.743 ( -2.658 0.000 -0.395) 2.687 1.746 ( -1.566 0.000 -0.980) 1.847 1.748 ( 0.704 0.000 -3.222) 3.298 1.766 ( 1.565 0.000 1.281) 2.023 1.811 ( -7.690 0.000 -4.688) 9.006 1.817 ( 0.953 0.000 0.057) 0.955 1.834 ( -3.241 0.000 0.429) 3.269 1.865 ( -2.510 0.000 -0.975) 2.693 1.946 ( -1.999 0.000 1.744) 2.653 1.980 ( -1.147 0.000 -1.496) 1.886 2.165 ( 1.785 0.000 1.449) 2.300 2.176 ( 0.492 0.000 0.564) 0.749 2.252 ( -0.993 0.000 2.792) 2.964 2.254 ( -1.752 0.000 1.922) 2.601 2.284 ( 0.142 0.000 1.046) 1.055 2.317 ( -0.687 0.000 -1.363) 1.526 2.703 ( -2.658 0.000 1.019) 2.847 2.717 ( -3.136 0.000 -0.138) 3.139 2.797 ( 1.209 0.000 5.444) 5.576 2.817 ( -5.089 0.000 7.834) 9.342 2.855 ( 6.525 0.000 -1.184) 6.631 2.929 ( 0.589 0.000 -3.622) 3.669 3.278 ( 3.121 0.000 3.088) 4.391 3.314 ( 10.279 0.000 -1.007) 10.328 3.508 ( 6.991 0.000 10.336) 12.478 3.586 ( 3.999 0.000 5.511) 6.809 3.672 ( 0.482 0.000 9.599) 9.611 3.698 ( 3.712 0.000 -0.165) 3.715 3.720 ( 6.068 0.000 -1.812) 6.333 3.765 ( 3.865 0.000 0.905) 3.970 3.791 ( 0.177 0.000 -1.024) 1.039 3.819 ( -0.579 0.000 -4.864) 4.898 3.924 ( 0.069 0.000 15.113) 15.113 4.139 ( -6.506 0.000 16.619) 17.847 4.197 ( -2.051 0.000 -9.296) 9.519 4.349 ( 4.082 0.000 7.138) 8.223 4.356 ( -4.094 0.000 -7.364) 8.426 4.643 ( -4.783 0.000 -19.767) 20.337 4.740 ( -1.062 0.000 -0.048) 1.063 4.745 ( 0.150 0.000 -0.459) 0.483 4.790 ( 2.741 0.000 -2.519) 3.722 4.838 ( -0.348 0.000 -9.715) 9.721 5.321 ( 1.184 0.000 4.722) 4.868 5.392 ( -0.909 0.000 -2.437) 2.601 5.447 ( 1.144 0.000 3.525) 3.706 5.519 ( -0.589 0.000 -3.992) 4.035 5.757 ( 2.927 0.000 2.330) 3.741 5.796 ( 1.562 0.000 -1.631) 2.258 6.198 ( -0.118 0.000 3.660) 3.662 6.259 ( -1.748 0.000 -2.079) 2.716 6.550 ( 1.377 0.000 3.801) 4.043 6.640 ( -0.591 0.000 -4.890) 4.926 7.106 ( -2.602 0.000 1.973) 3.265 7.121 ( -3.097 0.000 0.155) 3.101 7.184 ( 0.934 0.000 1.563) 1.821 7.203 ( 0.761 0.000 0.211) 0.790 7.418 ( -0.677 0.000 -0.387) 0.780 7.447 ( -1.120 0.000 -3.518) 3.692 7.616 ( 2.407 0.000 10.366) 10.642 7.657 ( 1.443 0.000 9.172) 9.285 7.827 ( 1.653 0.000 -10.422) 10.553 7.834 ( 1.795 0.000 -8.216) 8.410 8.274 ( 1.127 0.000 0.683) 1.318 8.302 ( 0.025 0.000 -1.668) 1.668 8.516 ( -0.695 0.000 7.396) 7.428 8.641 ( -3.677 0.000 -5.448) 6.572 8.927 ( 1.160 0.000 0.224) 1.181 8.930 ( 0.321 0.000 -0.037) 0.324 9.102 ( -0.491 0.000 4.493) 4.520 9.120 ( -1.468 0.000 1.446) 2.060 9.139 ( -1.701 0.000 -0.411) 1.749 9.148 ( -0.609 0.000 2.952) 3.015 9.197 ( 0.560 0.000 -2.384) 2.449 9.229 ( 0.826 0.000 -3.570) 3.665 9.356 ( 3.850 0.000 0.814) 3.935 9.393 ( 3.424 0.000 -1.532) 3.751 9.662 ( -1.434 0.000 3.510) 3.792 9.704 ( -1.621 0.000 -0.623) 1.736 9.723 ( 1.220 0.000 0.111) 1.225 9.755 ( 1.342 0.000 -3.273) 3.537 9.835 ( -0.468 0.000 1.866) 1.923 9.899 ( -1.889 0.000 -3.100) 3.630 9.967 ( 0.403 0.000 4.994) 5.011 10.083 ( -0.995 0.000 -5.316) 5.408 10.131 ( -1.760 0.000 5.532) 5.805 10.198 ( -0.273 0.000 0.575) 0.636 10.221 ( -1.953 0.000 0.077) 1.955 10.224 ( -6.195 0.000 2.538) 6.695 10.280 ( -1.713 0.000 -6.224) 6.456 10.315 ( -3.154 0.000 -4.214) 5.263 10.680 ( 1.639 0.000 2.557) 3.037 10.712 ( 4.707 0.000 -2.922) 5.540 10.716 ( 4.624 0.000 -2.403) 5.211 10.740 ( -1.143 0.000 -2.573) 2.815 10.816 ( 3.666 0.000 3.267) 4.911 10.866 ( 2.799 0.000 -1.606) 3.227 11.144 ( -1.786 0.000 -1.444) 2.297 11.167 ( -0.511 0.000 -2.452) 2.505 11.225 ( 0.014 0.000 1.466) 1.466 11.248 ( -0.235 0.000 -1.176) 1.199 11.251 ( -0.829 0.000 -0.660) 1.059 11.281 ( -0.830 0.000 -2.068) 2.229 11.329 ( 3.317 0.000 2.749) 4.308 11.373 ( 4.254 0.000 -2.214) 4.796 11.782 ( -7.020 0.000 3.979) 8.069 11.847 ( -6.647 0.000 -2.956) 7.274 12.020 ( 4.038 0.000 5.243) 6.618 12.097 ( 2.244 0.000 -2.611) 3.443 12.357 ( -6.275 0.000 2.841) 6.888 12.358 ( -5.919 0.000 1.478) 6.101 12.432 ( 0.399 0.000 -1.268) 1.329 12.470 ( -1.618 0.000 -3.506) 3.862 12.696 ( 6.399 0.000 4.035) 7.565 12.805 ( 4.582 0.000 -7.180) 8.518 ======================= Grid point 77 (30/36) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 2.483 0.000 6.795) 7.234 0.961 ( -0.673 0.000 6.617) 6.651 1.010 ( 6.057 0.000 1.318) 6.199 1.038 ( 3.313 0.000 3.388) 4.738 1.097 ( -2.605 0.000 -5.306) 5.911 1.118 ( 1.075 0.000 -1.762) 2.064 1.147 ( -0.440 0.000 -1.775) 1.829 1.148 ( -0.267 0.000 -0.853) 0.894 1.231 ( -3.785 0.000 -0.740) 3.856 1.257 ( -0.803 0.000 -1.487) 1.691 1.334 ( 3.555 0.000 6.446) 7.362 1.442 ( 4.406 0.000 -2.591) 5.111 1.474 ( 0.091 0.000 1.289) 1.292 1.482 ( -5.381 0.000 1.878) 5.699 1.511 ( -2.603 0.000 4.909) 5.556 1.631 ( -8.304 0.000 -3.065) 8.852 1.639 ( -2.224 0.000 -0.851) 2.381 1.654 ( -3.642 0.000 -3.150) 4.815 1.702 ( 0.259 0.000 0.925) 0.961 1.726 ( 3.438 0.000 2.931) 4.517 1.727 ( -1.465 0.000 -1.393) 2.021 1.781 ( -1.079 0.000 1.004) 1.473 1.800 ( 1.617 0.000 -0.508) 1.695 1.817 ( 2.839 0.000 2.948) 4.092 1.836 ( -0.667 0.000 -1.887) 2.002 1.852 ( 2.184 0.000 -0.843) 2.341 1.895 ( -2.755 0.000 0.648) 2.830 1.928 ( -3.747 0.000 -2.150) 4.320 2.190 ( 0.971 0.000 1.569) 1.845 2.193 ( 0.824 0.000 1.004) 1.299 2.221 ( -0.605 0.000 1.914) 2.007 2.228 ( -0.927 0.000 1.548) 1.804 2.293 ( 0.249 0.000 0.955) 0.987 2.304 ( -0.840 0.000 0.249) 0.877 2.640 ( -2.604 0.000 0.482) 2.648 2.643 ( -3.010 0.000 0.236) 3.019 2.731 ( -2.367 0.000 5.573) 6.055 2.743 ( -3.304 0.000 4.552) 5.625 2.968 ( 3.750 0.000 -1.410) 4.006 2.983 ( 2.057 0.000 -2.960) 3.605 3.372 ( 5.906 0.000 10.537) 12.079 3.455 ( -0.190 0.000 6.604) 6.607 3.652 ( 5.780 0.000 10.614) 12.085 3.685 ( 0.846 0.000 7.003) 7.054 3.746 ( 9.697 0.000 -0.436) 9.707 3.761 ( 1.844 0.000 1.872) 2.628 3.777 ( 2.911 0.000 -1.912) 3.483 3.791 ( -0.751 0.000 -1.948) 2.088 3.819 ( 1.472 0.000 6.910) 7.065 3.834 ( 3.967 0.000 4.025) 5.652 3.976 ( -3.931 0.000 13.168) 13.742 4.076 ( 8.339 0.000 -8.221) 11.710 4.078 ( -11.039 0.000 -12.402) 16.603 4.248 ( -6.881 0.000 -8.119) 10.642 4.428 ( 4.358 0.000 0.781) 4.428 4.531 ( -6.099 0.000 -10.953) 12.536 4.720 ( -0.733 0.000 0.060) 0.735 4.724 ( -1.253 0.000 -0.818) 1.497 4.840 ( 1.847 0.000 -2.591) 3.182 4.850 ( 0.676 0.000 -3.966) 4.023 5.343 ( 1.095 0.000 2.534) 2.761 5.367 ( -1.393 0.000 0.099) 1.396 5.480 ( 1.946 0.000 1.324) 2.354 5.508 ( -0.812 0.000 -1.608) 1.801 5.809 ( 1.867 0.000 1.093) 2.164 5.821 ( 0.583 0.000 -0.169) 0.607 6.200 ( 0.508 0.000 2.067) 2.129 6.222 ( -1.725 0.000 0.021) 1.725 6.586 ( 2.132 0.000 1.517) 2.617 6.622 ( -1.371 0.000 -1.900) 2.343 7.063 ( -1.317 0.000 0.532) 1.421 7.068 ( -1.827 0.000 -0.036) 1.827 7.199 ( 0.618 0.000 1.456) 1.581 7.208 ( -0.199 0.000 0.765) 0.791 7.413 ( 0.182 0.000 -1.073) 1.088 7.425 ( -0.995 0.000 -2.419) 2.616 7.661 ( 1.840 0.000 9.376) 9.555 7.677 ( 0.249 0.000 9.017) 9.020 7.859 ( 1.258 0.000 -9.095) 9.181 7.864 ( 0.813 0.000 -8.350) 8.389 8.299 ( 1.047 0.000 -0.194) 1.064 8.305 ( 0.232 0.000 -0.578) 0.623 8.511 ( 0.841 0.000 3.495) 3.595 8.561 ( -3.918 0.000 -1.625) 4.241 8.939 ( 0.513 0.000 0.684) 0.855 8.943 ( 0.262 0.000 0.348) 0.436 9.093 ( -0.301 0.000 2.263) 2.283 9.096 ( -0.706 0.000 0.941) 1.177 9.120 ( -0.114 0.000 2.688) 2.691 9.131 ( -0.992 0.000 4.307) 4.419 9.216 ( 1.207 0.000 -5.034) 5.177 9.235 ( -0.422 0.000 -5.504) 5.520 9.444 ( 4.547 0.000 -0.257) 4.555 9.465 ( 3.171 0.000 -1.931) 3.713 9.611 ( -3.028 0.000 2.997) 4.261 9.634 ( -4.643 0.000 0.306) 4.653 9.747 ( 1.334 0.000 0.493) 1.423 9.766 ( -0.337 0.000 0.192) 0.388 9.865 ( 3.570 0.000 3.490) 4.992 9.922 ( 3.143 0.000 -3.681) 4.841 9.955 ( -1.903 0.000 5.600) 5.914 10.046 ( -5.583 0.000 -2.918) 6.299 10.063 ( -1.796 0.000 0.942) 2.028 10.073 ( -3.095 0.000 -1.401) 3.397 10.225 ( 0.980 0.000 -0.047) 0.981 10.228 ( 0.779 0.000 1.674) 1.847 10.263 ( -0.389 0.000 -3.581) 3.602 10.274 ( -1.444 0.000 -2.565) 2.943 10.682 ( 0.408 0.000 1.737) 1.784 10.700 ( -1.332 0.000 -0.023) 1.333 10.812 ( 3.519 0.000 -3.496) 4.960 10.812 ( 3.395 0.000 -2.795) 4.398 10.878 ( 1.265 0.000 0.740) 1.466 10.888 ( -0.545 0.000 0.411) 0.683 11.133 ( 1.375 0.000 -0.599) 1.500 11.169 ( -0.508 0.000 -3.880) 3.913 11.220 ( 0.301 0.000 0.526) 0.606 11.232 ( -0.502 0.000 0.696) 0.858 11.234 ( -0.847 0.000 -0.506) 0.987 11.255 ( -1.900 0.000 -1.739) 2.575 11.418 ( 5.118 0.000 3.564) 6.236 11.462 ( 2.775 0.000 -0.979) 2.943 11.661 ( -3.397 0.000 1.446) 3.692 11.712 ( -6.511 0.000 -3.626) 7.453 12.090 ( 3.068 0.000 3.808) 4.890 12.123 ( 0.077 0.000 0.645) 0.650 12.256 ( -3.274 0.000 1.969) 3.820 12.258 ( -3.259 0.000 1.731) 3.690 12.443 ( 0.579 0.000 -2.034) 2.115 12.453 ( -0.552 0.000 -2.853) 2.906 12.805 ( 4.327 0.000 -0.325) 4.340 12.851 ( -0.139 0.000 -5.034) 5.036 ======================= Grid point 80 (31/36) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 8.093 9.827) 12.731 0.812 ( 0.000 3.199 2.798) 4.250 0.990 ( 0.000 -3.635 3.637) 5.142 1.001 ( 0.000 -1.064 -1.324) 1.699 1.037 ( 0.000 4.118 -3.998) 5.740 1.090 ( 0.000 1.192 -2.858) 3.097 1.170 ( 0.000 -1.534 3.743) 4.045 1.223 ( 0.000 -6.480 -2.589) 6.978 1.249 ( 0.000 -4.995 0.500) 5.020 1.301 ( 0.000 -7.864 -3.270) 8.517 1.380 ( 0.000 -0.155 -0.839) 0.853 1.385 ( 0.000 2.390 -0.244) 2.402 1.446 ( 0.000 -7.738 3.181) 8.367 1.499 ( 0.000 -4.881 -1.969) 5.263 1.610 ( 0.000 2.293 8.256) 8.569 1.633 ( 0.000 -0.460 2.228) 2.275 1.658 ( 0.000 -1.964 -0.889) 2.156 1.711 ( 0.000 -1.130 -0.228) 1.153 1.721 ( 0.000 3.802 3.290) 5.028 1.753 ( 0.000 1.317 -0.539) 1.423 1.805 ( 0.000 1.839 1.570) 2.418 1.831 ( 0.000 2.016 -1.000) 2.251 1.883 ( 0.000 2.214 3.840) 4.432 1.892 ( 0.000 -1.961 1.537) 2.491 1.906 ( 0.000 0.438 1.267) 1.341 1.929 ( 0.000 0.986 1.104) 1.481 1.951 ( 0.000 0.523 -2.641) 2.692 1.992 ( 0.000 3.314 -3.418) 4.761 2.135 ( 0.000 -0.201 1.588) 1.600 2.154 ( 0.000 -0.796 0.108) 0.803 2.264 ( 0.000 0.083 3.575) 3.576 2.266 ( 0.000 -0.290 2.996) 3.010 2.302 ( 0.000 0.951 0.586) 1.117 2.331 ( 0.000 0.087 -2.091) 2.093 2.714 ( 0.000 -0.832 1.240) 1.493 2.726 ( 0.000 -1.473 -0.150) 1.481 2.754 ( 0.000 1.260 2.374) 2.687 2.787 ( 0.000 1.078 -1.569) 1.904 2.831 ( 0.000 -3.266 6.622) 7.383 2.897 ( 0.000 -4.613 0.001) 4.613 3.253 ( 0.000 3.568 1.853) 4.021 3.264 ( 0.000 1.281 1.021) 1.638 3.388 ( 0.000 -3.872 7.780) 8.690 3.486 ( 0.000 -7.605 -3.201) 8.251 3.574 ( 0.000 -0.032 4.866) 4.866 3.628 ( 0.000 -1.794 -0.329) 1.824 3.716 ( 0.000 3.432 9.652) 10.244 3.801 ( 0.000 -0.577 1.958) 2.041 3.825 ( 0.000 7.162 3.644) 8.035 3.920 ( 0.000 4.860 -5.478) 7.323 3.959 ( 0.000 3.752 20.501) 20.841 4.166 ( 0.000 -4.639 16.292) 16.939 4.215 ( 0.000 0.915 -6.032) 6.101 4.264 ( 0.000 -0.932 1.889) 2.106 4.486 ( 0.000 6.803 -2.149) 7.135 4.692 ( 0.000 -1.972 -12.458) 12.613 4.740 ( 0.000 0.421 -5.395) 5.411 4.756 ( 0.000 1.788 -3.434) 3.872 4.768 ( 0.000 1.029 -0.981) 1.422 4.832 ( 0.000 -1.698 -13.395) 13.503 5.316 ( 0.000 1.106 3.925) 4.078 5.387 ( 0.000 -1.322 -2.927) 3.212 5.397 ( 0.000 -2.991 2.848) 4.130 5.474 ( 0.000 -5.253 -5.178) 7.376 5.742 ( 0.000 1.750 2.421) 2.987 5.780 ( 0.000 0.080 -1.514) 1.516 6.222 ( 0.000 2.283 4.162) 4.747 6.287 ( 0.000 0.447 -1.478) 1.544 6.520 ( 0.000 -0.981 2.476) 2.663 6.606 ( 0.000 -3.751 -5.422) 6.593 7.098 ( 0.000 -3.658 2.005) 4.171 7.112 ( 0.000 -4.290 -0.266) 4.298 7.168 ( 0.000 -0.420 0.487) 0.643 7.168 ( 0.000 -0.318 1.223) 1.264 7.461 ( 0.000 2.357 -0.798) 2.488 7.478 ( 0.000 1.307 -2.452) 2.779 7.614 ( 0.000 2.122 10.268) 10.485 7.645 ( 0.000 0.405 9.446) 9.455 7.820 ( 0.000 1.021 -10.289) 10.339 7.825 ( 0.000 0.923 -8.479) 8.529 8.276 ( 0.000 1.100 0.607) 1.256 8.305 ( 0.000 0.017 -1.987) 1.987 8.541 ( 0.000 1.964 6.644) 6.928 8.653 ( 0.000 -2.639 -4.989) 5.644 8.921 ( 0.000 0.786 0.600) 0.989 8.928 ( 0.000 0.209 -0.138) 0.250 9.083 ( 0.000 -1.951 2.851) 3.455 9.112 ( 0.000 -3.510 -0.651) 3.570 9.136 ( 0.000 0.090 3.208) 3.210 9.162 ( 0.000 -0.428 3.584) 3.609 9.204 ( 0.000 0.477 -3.448) 3.481 9.206 ( 0.000 0.949 -1.214) 1.541 9.405 ( 0.000 4.454 0.601) 4.495 9.406 ( 0.000 6.239 -0.858) 6.298 9.686 ( 0.000 2.011 0.983) 2.238 9.721 ( 0.000 2.238 -0.677) 2.338 9.781 ( 0.000 3.866 -0.928) 3.976 9.781 ( 0.000 2.889 -0.287) 2.903 9.829 ( 0.000 -1.842 1.434) 2.334 9.920 ( 0.000 -2.164 -3.475) 4.094 9.929 ( 0.000 -1.564 3.070) 3.446 10.018 ( 0.000 -4.645 -3.717) 5.949 10.136 ( 0.000 0.873 4.837) 4.916 10.191 ( 0.000 1.080 2.809) 3.010 10.257 ( 0.000 -3.107 -3.681) 4.817 10.267 ( 0.000 -0.649 -1.789) 1.903 10.358 ( 0.000 1.089 -1.105) 1.552 10.391 ( 0.000 0.812 -3.126) 3.229 10.597 ( 0.000 0.692 -1.538) 1.686 10.628 ( 0.000 -0.270 -4.861) 4.869 10.689 ( 0.000 -1.757 2.412) 2.984 10.709 ( 0.000 -3.281 0.740) 3.363 10.825 ( 0.000 1.666 -0.787) 1.842 10.827 ( 0.000 0.899 -0.688) 1.132 11.134 ( 0.000 -1.930 -0.860) 2.113 11.150 ( 0.000 -2.376 -1.461) 2.789 11.213 ( 0.000 -1.670 -0.677) 1.802 11.236 ( 0.000 -1.044 -1.779) 2.063 11.268 ( 0.000 1.079 0.090) 1.083 11.284 ( 0.000 1.844 -1.575) 2.425 11.339 ( 0.000 2.711 1.436) 3.068 11.365 ( 0.000 1.626 -1.154) 1.994 11.849 ( 0.000 -3.201 1.593) 3.576 11.850 ( 0.000 -2.327 1.336) 2.683 12.086 ( 0.000 8.576 2.303) 8.880 12.131 ( 0.000 6.457 -2.448) 6.905 12.391 ( 0.000 -5.793 2.607) 6.353 12.393 ( 0.000 -3.845 0.414) 3.867 12.431 ( 0.000 0.305 -0.830) 0.884 12.465 ( 0.000 -2.980 -1.943) 3.558 12.633 ( 0.000 2.110 2.770) 3.482 12.712 ( 0.000 -1.580 -4.955) 5.201 ======================= Grid point 81 (32/36) ======================= q-point: ( 0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 4.588 -0.286 7.951) 9.184 0.887 ( 6.843 4.045 4.105) 8.946 0.967 ( -0.349 -4.515 2.928) 5.392 1.011 ( -0.954 0.821 0.841) 1.514 1.063 ( 1.739 -0.902 -3.584) 4.085 1.098 ( 0.446 0.148 -2.829) 2.868 1.123 ( -1.553 -0.293 0.835) 1.787 1.188 ( -3.404 -3.151 -1.209) 4.793 1.212 ( -4.927 -6.137 -2.708) 8.323 1.275 ( -1.119 -7.142 -1.894) 7.473 1.315 ( -2.698 -0.203 0.999) 2.884 1.416 ( 0.361 -0.288 1.578) 1.644 1.438 ( -0.523 -2.459 1.437) 2.896 1.506 ( -1.284 -8.799 0.271) 8.896 1.563 ( -2.442 3.199 4.808) 6.270 1.636 ( -0.174 0.473 1.635) 1.711 1.675 ( 1.141 -1.304 0.299) 1.758 1.712 ( -1.532 -2.276 0.372) 2.769 1.714 ( -1.453 0.949 -0.684) 1.866 1.749 ( -0.978 0.992 1.446) 2.008 1.779 ( -1.906 1.457 -0.016) 2.399 1.795 ( -4.075 2.122 2.291) 5.134 1.845 ( -4.500 1.915 -1.628) 5.155 1.853 ( -0.775 2.007 2.340) 3.179 1.876 ( 1.870 3.738 -2.603) 4.925 1.913 ( -0.628 3.313 0.117) 3.374 1.952 ( -2.039 1.543 1.057) 2.767 1.991 ( -0.272 0.412 -1.609) 1.683 2.143 ( 0.310 -1.571 0.835) 1.806 2.162 ( 0.182 -1.478 0.680) 1.637 2.227 ( -3.163 -1.941 2.318) 4.376 2.247 ( -2.548 -1.512 1.277) 3.226 2.289 ( -0.379 0.982 1.822) 2.104 2.316 ( -1.062 -0.265 -0.185) 1.110 2.694 ( -4.305 -3.276 2.296) 5.877 2.698 ( -2.354 -0.331 0.718) 2.483 2.712 ( -1.301 -3.332 2.547) 4.391 2.731 ( -2.683 -3.702 0.861) 4.652 2.936 ( 8.697 5.268 1.254) 10.246 3.026 ( 7.629 3.951 -0.112) 8.592 3.292 ( 4.032 1.713 3.521) 5.620 3.356 ( 9.158 3.769 -0.396) 9.911 3.446 ( 5.280 -6.011 6.237) 10.145 3.541 ( 3.861 -4.057 1.912) 5.918 3.650 ( 7.566 -1.723 2.468) 8.143 3.673 ( 3.921 -1.633 2.293) 4.827 3.715 ( -0.034 2.205 9.011) 9.277 3.781 ( -1.390 -0.699 3.607) 3.928 3.831 ( 0.908 4.892 2.338) 5.498 3.910 ( -1.163 3.480 -2.868) 4.657 3.963 ( 1.305 4.679 13.251) 14.114 4.109 ( -4.561 -1.332 11.678) 12.607 4.210 ( -0.792 1.097 -6.434) 6.575 4.311 ( 3.353 -2.352 3.199) 5.197 4.447 ( -4.233 6.807 -3.534) 8.761 4.642 ( -5.112 -1.046 -14.474) 15.385 4.730 ( -1.179 -0.312 -4.246) 4.418 4.747 ( -0.779 0.319 -1.765) 1.955 4.793 ( 1.963 0.130 -2.167) 2.927 4.829 ( 0.309 -0.998 -7.985) 8.053 5.311 ( -0.379 -0.956 2.351) 2.566 5.350 ( -2.200 -3.647 -0.188) 4.263 5.432 ( 2.925 -0.076 -0.625) 2.992 5.510 ( 2.434 -2.012 -2.161) 3.826 5.757 ( 1.372 0.547 1.506) 2.110 5.794 ( 1.061 -0.444 -0.630) 1.312 6.219 ( -0.267 2.080 3.443) 4.032 6.270 ( -1.549 0.668 -0.817) 1.874 6.533 ( 1.370 -1.063 2.053) 2.687 6.604 ( -0.240 -3.393 -4.410) 5.570 7.060 ( -2.804 -3.724 0.703) 4.714 7.072 ( -3.247 -4.299 -0.003) 5.387 7.176 ( 1.237 0.241 1.475) 1.940 7.198 ( 1.213 -0.264 1.026) 1.610 7.459 ( -0.011 2.988 -0.619) 3.051 7.481 ( 0.038 2.183 -2.966) 3.683 7.617 ( 0.656 0.558 9.995) 10.032 7.655 ( 0.649 -0.436 8.681) 8.716 7.836 ( 1.486 0.848 -9.154) 9.313 7.846 ( 1.623 0.741 -8.112) 8.306 8.272 ( -0.061 0.288 -0.221) 0.368 8.311 ( 0.212 0.005 -1.080) 1.100 8.528 ( -0.778 1.943 4.864) 5.295 8.635 ( -1.937 -1.111 -3.123) 3.839 8.913 ( -0.226 -0.433 0.237) 0.542 8.933 ( 0.067 -0.294 0.334) 0.450 9.077 ( -0.254 -1.306 2.608) 2.928 9.106 ( -0.360 -2.641 -0.431) 2.700 9.127 ( -0.636 0.562 2.502) 2.642 9.166 ( -0.250 0.300 2.722) 2.750 9.210 ( 0.541 0.513 -3.085) 3.174 9.213 ( 0.745 0.638 -1.062) 1.445 9.430 ( 2.781 4.824 -0.645) 5.605 9.450 ( 3.953 5.235 -0.151) 6.562 9.680 ( -0.848 1.822 1.704) 2.635 9.725 ( -3.116 1.711 0.128) 3.557 9.748 ( 1.000 2.268 -1.048) 2.691 9.771 ( -1.039 0.635 -0.699) 1.405 9.835 ( -0.587 -0.327 1.672) 1.802 9.919 ( 0.416 2.779 -3.673) 4.624 9.930 ( 0.336 -3.672 3.878) 5.351 10.023 ( 0.570 -3.862 -3.661) 5.352 10.136 ( -0.762 0.718 4.899) 5.010 10.190 ( -0.576 -0.230 3.209) 3.269 10.234 ( -1.366 -1.432 -2.213) 2.969 10.238 ( -6.499 1.159 -0.402) 6.614 10.266 ( -3.222 -0.614 -3.912) 5.105 10.314 ( -4.040 -0.500 -3.498) 5.367 10.672 ( 1.040 -0.074 2.202) 2.436 10.695 ( 5.861 -0.411 -2.712) 6.471 10.723 ( 5.981 -0.174 -3.496) 6.930 10.744 ( 1.852 -1.657 0.634) 2.565 10.803 ( 0.536 0.780 0.182) 0.964 10.865 ( 1.460 -0.710 -0.706) 1.770 11.111 ( -1.815 -1.372 -0.813) 2.416 11.156 ( -0.067 -3.172 -1.111) 3.361 11.203 ( -0.697 -1.256 -0.781) 1.635 11.224 ( -0.584 0.199 -2.077) 2.167 11.270 ( -0.544 0.594 -1.053) 1.326 11.299 ( 0.624 1.213 -0.903) 1.636 11.362 ( 2.740 2.521 2.005) 4.229 11.390 ( 2.904 0.990 -1.119) 3.266 11.776 ( -3.940 0.757 1.089) 4.157 11.916 ( 1.063 -0.445 1.396) 1.810 11.938 ( -7.298 1.312 0.057) 7.416 12.188 ( -1.907 3.451 1.110) 4.096 12.259 ( -4.028 -4.161 1.216) 5.917 12.384 ( -3.013 -0.678 2.212) 3.799 12.436 ( 0.460 0.401 -1.232) 1.375 12.468 ( -0.586 -0.707 -2.629) 2.785 12.699 ( 5.739 0.778 1.980) 6.121 12.782 ( 4.483 -2.295 -5.657) 7.574 ======================= Grid point 82 (33/36) ======================= q-point: ( 0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 4.974 -5.489 5.293) 9.104 0.942 ( -1.322 -1.780 4.876) 5.356 0.970 ( -0.633 -5.062 1.936) 5.456 1.010 ( -0.956 -4.154 1.909) 4.670 1.073 ( -0.155 -1.072 -2.874) 3.071 1.105 ( -2.830 -3.563 -0.242) 4.557 1.122 ( 4.495 -2.180 -0.896) 5.076 1.156 ( 0.863 2.021 -3.149) 3.840 1.163 ( 1.110 -0.289 -1.469) 1.863 1.228 ( -4.021 -3.532 -1.700) 5.616 1.300 ( 2.677 -2.315 2.954) 4.610 1.393 ( -4.072 -8.495 4.978) 10.655 1.448 ( 0.904 -1.442 0.071) 1.703 1.461 ( -0.350 -1.622 -2.161) 2.724 1.527 ( -1.158 3.097 2.421) 4.098 1.592 ( -4.085 -0.860 2.419) 4.825 1.662 ( -1.019 0.863 -1.974) 2.384 1.675 ( -0.641 1.169 -2.771) 3.075 1.715 ( 0.974 1.007 1.671) 2.181 1.731 ( -1.704 -1.618 -0.576) 2.420 1.745 ( -0.420 3.408 -0.815) 3.529 1.753 ( 0.054 -1.757 1.443) 2.275 1.772 ( -1.556 1.334 -2.356) 3.123 1.833 ( -4.444 -0.837 1.880) 4.897 1.904 ( -0.436 3.089 -0.888) 3.244 1.907 ( -0.038 4.590 -1.507) 4.832 1.924 ( 2.046 3.770 1.219) 4.460 1.970 ( -1.888 1.411 0.446) 2.399 2.146 ( 0.686 -3.135 0.603) 3.266 2.164 ( -0.559 -2.611 0.758) 2.775 2.186 ( 0.470 -2.372 1.945) 3.103 2.211 ( -1.074 -1.670 1.758) 2.652 2.279 ( -0.227 -0.859 1.289) 1.566 2.293 ( -1.248 -1.026 0.746) 1.780 2.639 ( -1.433 0.110 0.817) 1.653 2.645 ( -2.237 0.107 0.237) 2.252 2.674 ( -0.963 -2.428 1.953) 3.261 2.691 ( -1.846 -3.000 2.153) 4.128 3.083 ( 5.364 8.404 1.871) 10.143 3.121 ( 1.628 9.063 0.697) 9.235 3.394 ( 5.812 1.940 9.627) 11.411 3.476 ( -0.875 1.310 6.939) 7.116 3.558 ( 5.531 -6.804 3.154) 9.319 3.613 ( 0.942 -5.280 2.851) 6.074 3.718 ( 0.915 -1.269 5.922) 6.125 3.725 ( 0.865 -4.135 4.227) 5.975 3.776 ( 4.286 1.710 3.700) 5.914 3.816 ( 4.336 2.110 2.515) 5.439 3.874 ( 0.494 3.227 4.818) 5.820 3.891 ( 3.177 1.940 1.336) 3.955 4.016 ( -2.202 4.054 4.865) 6.704 4.052 ( 3.472 0.711 -8.188) 8.923 4.171 ( -1.078 5.339 -6.681) 8.620 4.299 ( -8.320 5.724 -5.807) 11.649 4.398 ( 3.994 -3.318 0.675) 5.236 4.514 ( -7.233 -2.165 -8.427) 11.314 4.711 ( -0.517 -0.577 -1.358) 1.564 4.718 ( -1.311 -0.537 -2.182) 2.602 4.831 ( 1.605 -0.682 -2.405) 2.971 4.843 ( 0.423 -0.850 -2.796) 2.953 5.307 ( 0.064 -2.819 0.656) 2.895 5.317 ( -1.068 -3.667 -0.222) 3.826 5.498 ( 3.272 1.823 0.109) 3.747 5.536 ( -0.242 1.458 -0.231) 1.496 5.786 ( 1.420 -1.637 0.584) 2.244 5.805 ( -0.225 -1.616 0.273) 1.655 6.219 ( 0.431 1.735 1.960) 2.653 6.238 ( -1.469 1.250 0.527) 1.999 6.567 ( 1.825 -1.542 0.683) 2.485 6.594 ( -0.866 -2.489 -1.851) 3.220 7.014 ( -1.465 -4.076 -0.078) 4.332 7.017 ( -1.824 -4.292 -0.303) 4.673 7.198 ( 0.916 0.743 1.666) 2.041 7.209 ( -0.102 0.603 1.358) 1.490 7.464 ( 0.493 3.782 -1.290) 4.026 7.476 ( -0.562 3.623 -2.489) 4.431 7.640 ( 1.365 -1.632 8.972) 9.220 7.659 ( -0.406 -1.772 8.233) 8.431 7.865 ( 1.112 0.406 -7.886) 7.974 7.870 ( 0.598 0.300 -7.527) 7.557 8.282 ( 1.048 -0.603 -0.508) 1.312 8.304 ( -0.928 -0.805 -0.481) 1.319 8.533 ( 1.543 2.436 1.934) 3.472 8.583 ( -3.119 1.292 -0.571) 3.424 8.916 ( 0.478 -1.586 0.541) 1.743 8.928 ( -0.539 -1.556 0.529) 1.729 9.082 ( 0.682 -0.344 1.624) 1.795 9.097 ( -0.709 -0.420 0.385) 0.909 9.125 ( 0.587 0.372 2.312) 2.415 9.147 ( -1.407 0.725 2.780) 3.199 9.221 ( 0.622 0.644 -3.444) 3.559 9.227 ( 0.245 -0.045 -2.960) 2.970 9.502 ( 4.388 4.780 -0.971) 6.561 9.546 ( 4.755 6.521 -0.555) 8.090 9.612 ( -4.056 1.103 0.881) 4.295 9.673 ( -4.333 2.282 3.042) 5.765 9.741 ( -0.076 -0.535 -0.888) 1.039 9.759 ( -0.888 -0.511 -0.138) 1.034 9.851 ( 3.167 -0.638 2.187) 3.901 9.916 ( -2.360 -2.544 1.721) 3.874 9.963 ( 3.762 2.759 -1.063) 4.784 10.032 ( -0.713 -1.798 -1.549) 2.478 10.091 ( -3.050 2.807 -0.294) 4.155 10.096 ( -4.416 2.327 0.213) 4.996 10.179 ( 0.350 -2.677 1.754) 3.219 10.210 ( -2.419 -2.611 -1.709) 3.949 10.250 ( 1.374 -1.324 -1.563) 2.466 10.274 ( -1.141 -1.221 -2.028) 2.628 10.695 ( 1.549 1.680 1.282) 2.620 10.727 ( -1.462 1.968 0.571) 2.518 10.806 ( 3.781 -0.235 -2.470) 4.522 10.811 ( 2.605 -0.259 -3.175) 4.115 10.861 ( 2.461 -1.475 -0.036) 2.869 10.871 ( -0.492 -1.769 0.436) 1.887 11.084 ( 0.104 -3.145 -0.260) 3.157 11.126 ( -2.868 -4.824 -0.657) 5.650 11.205 ( 0.877 0.388 -1.293) 1.610 11.224 ( -0.368 2.325 -2.095) 3.151 11.257 ( 0.576 -0.069 -0.759) 0.955 11.288 ( -1.563 0.643 -0.474) 1.756 11.438 ( 4.180 1.530 2.015) 4.886 11.462 ( 2.790 -0.053 -0.634) 2.862 11.705 ( -2.173 4.239 0.263) 4.771 11.758 ( -7.207 4.591 -1.518) 8.678 11.988 ( 3.536 -6.674 1.919) 7.793 12.072 ( -5.635 -6.849 1.801) 9.050 12.272 ( 1.839 3.694 1.951) 4.564 12.319 ( -3.091 2.095 2.438) 4.460 12.447 ( 0.588 0.469 -2.102) 2.232 12.458 ( -0.488 0.292 -2.738) 2.796 12.799 ( 3.816 -0.305 -1.130) 3.992 12.834 ( 0.465 -1.584 -4.459) 4.755 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 -7.227 5.151) 8.875 0.867 ( 0.000 7.227 5.151) 8.875 0.927 ( 0.000 -7.503 -0.615) 7.528 0.927 ( 0.000 7.503 -0.615) 7.528 1.101 ( 0.000 -2.865 1.552) 3.259 1.101 ( 0.000 2.865 1.552) 3.259 1.133 ( 0.000 -3.314 -3.304) 4.680 1.133 ( 0.000 3.314 -3.304) 4.680 1.253 ( 0.000 -2.191 -0.064) 2.192 1.253 ( 0.000 2.191 -0.064) 2.192 1.325 ( 0.000 -0.331 -0.042) 0.334 1.325 ( 0.000 0.331 -0.042) 0.334 1.434 ( 0.000 -1.999 -1.232) 2.348 1.434 ( 0.000 1.999 -1.232) 2.348 1.630 ( 0.000 -0.731 -0.462) 0.865 1.630 ( 0.000 0.731 -0.462) 0.865 1.676 ( 0.000 -3.263 5.467) 6.367 1.676 ( 0.000 3.263 5.467) 6.367 1.761 ( 0.000 -0.603 0.725) 0.943 1.761 ( 0.000 0.603 0.725) 0.943 1.841 ( 0.000 -2.185 1.848) 2.862 1.841 ( 0.000 2.185 1.848) 2.862 1.870 ( 0.000 -1.602 -0.236) 1.619 1.870 ( 0.000 1.602 -0.236) 1.619 1.921 ( 0.000 -1.337 -0.851) 1.585 1.921 ( 0.000 1.337 -0.851) 1.585 2.009 ( 0.000 -2.530 0.978) 2.713 2.009 ( 0.000 2.530 0.978) 2.713 2.140 ( 0.000 -0.677 -0.090) 0.683 2.140 ( 0.000 0.677 -0.090) 0.683 2.256 ( 0.000 -0.196 2.967) 2.973 2.256 ( 0.000 0.196 2.967) 2.973 2.328 ( 0.000 -0.878 0.103) 0.884 2.328 ( 0.000 0.878 0.103) 0.884 2.707 ( 0.000 -0.285 0.763) 0.814 2.707 ( 0.000 0.285 0.763) 0.814 2.783 ( 0.000 -1.724 2.641) 3.154 2.783 ( 0.000 1.724 2.641) 3.154 2.822 ( 0.000 -2.703 0.056) 2.703 2.822 ( 0.000 2.703 0.056) 2.703 3.300 ( 0.000 -1.913 3.916) 4.359 3.300 ( 0.000 1.913 3.916) 4.359 3.356 ( 0.000 -4.708 0.529) 4.738 3.356 ( 0.000 4.708 0.529) 4.738 3.594 ( 0.000 -1.682 1.931) 2.561 3.594 ( 0.000 1.682 1.931) 2.561 3.772 ( 0.000 -2.400 8.373) 8.710 3.772 ( 0.000 2.400 8.373) 8.710 3.923 ( 0.000 -3.247 1.763) 3.695 3.923 ( 0.000 3.247 1.763) 3.695 4.074 ( 0.000 -6.237 14.653) 15.925 4.074 ( 0.000 6.237 14.653) 15.925 4.245 ( 0.000 -1.439 -2.524) 2.906 4.245 ( 0.000 1.439 -2.524) 2.906 4.609 ( 0.000 -5.924 -2.947) 6.617 4.609 ( 0.000 5.924 -2.947) 6.617 4.766 ( 0.000 -1.424 -4.562) 4.779 4.766 ( 0.000 1.424 -4.562) 4.779 4.797 ( 0.000 -2.022 -9.737) 9.944 4.797 ( 0.000 2.022 -9.737) 9.944 5.356 ( 0.000 -2.389 0.030) 2.389 5.356 ( 0.000 2.389 0.030) 2.389 5.379 ( 0.000 -2.570 -2.345) 3.479 5.379 ( 0.000 2.570 -2.345) 3.479 5.772 ( 0.000 -1.099 0.444) 1.185 5.772 ( 0.000 1.099 0.444) 1.185 6.271 ( 0.000 -2.255 2.674) 3.497 6.271 ( 0.000 2.255 2.674) 3.497 6.535 ( 0.000 -2.915 -2.875) 4.095 6.535 ( 0.000 2.915 -2.875) 4.095 7.060 ( 0.000 -0.436 0.132) 0.455 7.060 ( 0.000 0.436 0.132) 0.455 7.164 ( 0.000 -0.019 1.174) 1.174 7.164 ( 0.000 0.019 1.174) 1.174 7.489 ( 0.000 -0.418 -1.238) 1.306 7.489 ( 0.000 0.418 -1.238) 1.306 7.644 ( 0.000 -0.808 9.557) 9.591 7.644 ( 0.000 0.808 9.557) 9.591 7.834 ( 0.000 -0.188 -9.062) 9.064 7.834 ( 0.000 0.188 -9.062) 9.064 8.296 ( 0.000 -0.937 -0.947) 1.332 8.296 ( 0.000 0.937 -0.947) 1.332 8.595 ( 0.000 -3.378 1.029) 3.532 8.595 ( 0.000 3.378 1.029) 3.532 8.932 ( 0.000 -0.106 0.336) 0.353 8.932 ( 0.000 0.106 0.336) 0.353 9.066 ( 0.000 -0.770 0.977) 1.244 9.066 ( 0.000 0.770 0.977) 1.244 9.147 ( 0.000 -0.902 3.702) 3.810 9.147 ( 0.000 0.902 3.702) 3.810 9.216 ( 0.000 -0.177 -2.650) 2.656 9.216 ( 0.000 0.177 -2.650) 2.656 9.468 ( 0.000 -0.668 0.138) 0.682 9.468 ( 0.000 0.668 0.138) 0.682 9.739 ( 0.000 -2.273 0.054) 2.274 9.739 ( 0.000 2.273 0.054) 2.274 9.798 ( 0.000 -0.200 0.913) 0.935 9.798 ( 0.000 0.200 0.913) 0.935 9.839 ( 0.000 -4.257 0.413) 4.277 9.839 ( 0.000 4.257 0.413) 4.277 9.965 ( 0.000 -2.447 -3.173) 4.007 9.965 ( 0.000 2.447 -3.173) 4.007 10.179 ( 0.000 -4.014 0.705) 4.075 10.179 ( 0.000 4.014 0.705) 4.075 10.227 ( 0.000 -2.685 0.327) 2.704 10.227 ( 0.000 2.685 0.327) 2.704 10.386 ( 0.000 -1.279 -1.273) 1.805 10.386 ( 0.000 1.279 -1.273) 1.805 10.617 ( 0.000 -1.053 -3.966) 4.103 10.617 ( 0.000 1.053 -3.966) 4.103 10.671 ( 0.000 -0.372 1.618) 1.661 10.671 ( 0.000 0.372 1.618) 1.661 10.838 ( 0.000 -0.145 -0.761) 0.775 10.838 ( 0.000 0.145 -0.761) 0.775 11.120 ( 0.000 -0.533 -0.791) 0.953 11.120 ( 0.000 0.533 -0.791) 0.953 11.206 ( 0.000 -0.928 -2.079) 2.277 11.206 ( 0.000 0.928 -2.079) 2.277 11.297 ( 0.000 -0.679 -0.419) 0.798 11.297 ( 0.000 0.679 -0.419) 0.798 11.374 ( 0.000 -0.735 0.260) 0.780 11.374 ( 0.000 0.735 0.260) 0.780 11.822 ( 0.000 -0.256 0.744) 0.787 11.822 ( 0.000 0.256 0.744) 0.787 12.249 ( 0.000 -7.669 1.713) 7.858 12.249 ( 0.000 7.669 1.713) 7.858 12.272 ( 0.000 -6.865 -0.289) 6.871 12.272 ( 0.000 6.865 -0.289) 6.871 12.440 ( 0.000 -0.603 -0.871) 1.059 12.440 ( 0.000 0.603 -0.871) 1.059 12.674 ( 0.000 -2.265 -1.191) 2.559 12.674 ( 0.000 2.265 -1.191) 2.559 ======================= Grid point 87 (35/36) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.526 -6.924 3.304) 7.822 0.832 ( -1.526 6.924 3.304) 7.822 0.977 ( 3.023 -4.497 1.922) 5.749 0.977 ( 3.023 4.497 1.922) 5.749 1.074 ( -2.940 -2.874 1.494) 4.375 1.074 ( -2.940 2.874 1.494) 4.375 1.146 ( -0.009 -2.395 -2.154) 3.221 1.146 ( -0.009 2.395 -2.154) 3.221 1.182 ( -2.135 -2.053 -4.326) 5.242 1.182 ( -2.135 2.053 -4.326) 5.242 1.318 ( -2.331 -4.481 2.613) 5.687 1.318 ( -2.331 4.481 2.613) 5.687 1.442 ( 0.227 -0.855 -0.770) 1.173 1.442 ( 0.227 0.855 -0.770) 1.173 1.633 ( -1.765 -2.323 3.118) 4.271 1.633 ( -1.765 2.323 3.118) 4.271 1.662 ( 0.856 -1.072 0.323) 1.409 1.662 ( 0.856 1.072 0.323) 1.409 1.739 ( -2.224 -1.183 -0.184) 2.526 1.739 ( -2.224 1.183 -0.184) 2.526 1.809 ( -2.643 -1.067 0.682) 2.931 1.809 ( -2.643 1.067 0.682) 2.931 1.864 ( -1.901 -0.460 0.949) 2.174 1.864 ( -1.901 0.460 0.949) 2.174 1.939 ( 2.478 -2.664 -1.503) 3.937 1.939 ( 2.478 2.664 -1.503) 3.937 1.983 ( -1.832 -2.565 1.222) 3.381 1.983 ( -1.832 2.565 1.222) 3.381 2.134 ( -1.224 -1.013 0.395) 1.637 2.134 ( -1.224 1.013 0.395) 1.637 2.214 ( -3.614 -1.258 1.558) 4.132 2.214 ( -3.614 1.258 1.558) 4.132 2.307 ( -1.524 -0.729 1.386) 2.185 2.307 ( -1.524 0.729 1.386) 2.185 2.666 ( -2.471 -0.951 2.278) 3.493 2.666 ( -2.471 0.951 2.278) 3.493 2.700 ( -2.154 -0.622 0.141) 2.246 2.700 ( -2.154 0.622 0.141) 2.246 3.025 ( 11.320 -3.499 0.634) 11.865 3.025 ( 11.320 3.499 0.634) 11.865 3.342 ( 4.099 -3.762 4.770) 7.328 3.342 ( 4.099 3.762 4.770) 7.328 3.451 ( 7.903 -5.441 -0.060) 9.595 3.451 ( 7.903 5.441 -0.060) 9.595 3.642 ( 4.681 -0.919 2.381) 5.332 3.642 ( 4.681 0.919 2.381) 5.332 3.757 ( -1.217 -1.833 8.536) 8.815 3.757 ( -1.217 1.833 8.536) 8.815 3.907 ( -1.219 -2.700 2.055) 3.605 3.907 ( -1.219 2.700 2.055) 3.605 4.070 ( -0.300 -4.481 10.729) 11.631 4.070 ( -0.300 4.481 10.729) 11.631 4.253 ( 0.911 -3.458 -1.828) 4.016 4.253 ( 0.911 3.458 -1.828) 4.016 4.574 ( -4.206 -5.877 -4.940) 8.754 4.574 ( -4.206 5.877 -4.940) 8.754 4.745 ( -2.351 -1.036 -8.081) 8.480 4.745 ( -2.351 1.036 -8.081) 8.480 4.803 ( 1.178 -1.398 -2.899) 3.427 4.803 ( 1.178 1.398 -2.899) 3.427 5.303 ( -2.249 -0.810 -1.056) 2.613 5.303 ( -2.249 0.810 -1.056) 2.613 5.456 ( 4.663 -2.647 -0.786) 5.419 5.456 ( 4.663 2.647 -0.786) 5.419 5.777 ( 0.327 -1.221 0.508) 1.363 5.777 ( 0.327 1.221 0.508) 1.363 6.261 ( -0.848 -1.808 2.178) 2.955 6.261 ( -0.848 1.808 2.178) 2.955 6.542 ( 0.659 -2.341 -2.170) 3.259 6.542 ( 0.659 2.341 -2.170) 3.259 7.020 ( -3.137 -0.287 -0.096) 3.152 7.020 ( -3.137 0.287 -0.096) 3.152 7.189 ( 1.744 -0.787 1.493) 2.427 7.189 ( 1.744 0.787 1.493) 2.427 7.497 ( 0.699 -0.678 -1.609) 1.880 7.497 ( 0.699 0.678 -1.609) 1.880 7.638 ( -0.514 -1.280 8.867) 8.974 7.638 ( -0.514 1.280 8.867) 8.974 7.849 ( 1.268 -0.388 -8.046) 8.155 7.849 ( 1.268 0.388 -8.046) 8.155 8.292 ( -0.364 -1.558 -0.831) 1.803 8.292 ( -0.364 1.558 -0.831) 1.803 8.588 ( -0.514 -3.632 0.837) 3.763 8.588 ( -0.514 3.632 0.837) 3.763 8.920 ( -0.997 -0.884 0.335) 1.375 8.920 ( -0.997 0.884 0.335) 1.375 9.070 ( 0.516 -0.761 0.956) 1.326 9.070 ( 0.516 0.761 0.956) 1.326 9.148 ( -0.052 -1.489 2.526) 2.933 9.148 ( -0.052 1.489 2.526) 2.933 9.223 ( 0.522 -0.254 -1.874) 1.962 9.223 ( 0.522 0.254 -1.874) 1.962 9.498 ( 3.016 -1.393 0.178) 3.327 9.498 ( 3.016 1.393 0.178) 3.327 9.726 ( -1.188 -2.685 0.802) 3.044 9.726 ( -1.188 2.685 0.802) 3.044 9.780 ( -2.238 -3.732 -0.760) 4.417 9.780 ( -2.238 3.732 -0.760) 4.417 9.843 ( 0.886 -4.676 1.580) 5.015 9.843 ( 0.886 4.676 1.580) 5.015 9.981 ( 1.389 -2.277 -2.968) 3.990 9.981 ( 1.389 2.277 -2.968) 3.990 10.168 ( -1.432 -2.608 1.927) 3.545 10.168 ( -1.432 2.608 1.927) 3.545 10.217 ( -0.697 -1.946 -0.067) 2.068 10.217 ( -0.697 1.946 -0.067) 2.068 10.289 ( -6.807 -2.046 -2.433) 7.513 10.289 ( -6.807 2.046 -2.433) 7.513 10.688 ( 3.864 -1.458 1.034) 4.257 10.688 ( 3.864 1.458 1.034) 4.257 10.712 ( 4.903 -0.347 -2.323) 5.437 10.712 ( 4.903 0.347 -2.323) 5.437 10.837 ( -0.195 -2.021 -0.816) 2.188 10.837 ( -0.195 2.021 -0.816) 2.188 11.109 ( -1.465 -1.271 -0.376) 1.975 11.109 ( -1.465 1.271 -0.376) 1.975 11.204 ( 0.306 -1.193 -2.419) 2.715 11.204 ( 0.306 1.193 -2.419) 2.715 11.299 ( -0.377 -1.247 -0.705) 1.481 11.299 ( -0.377 1.247 -0.705) 1.481 11.394 ( 2.415 -0.680 0.451) 2.549 11.394 ( 2.415 0.680 0.451) 2.549 11.824 ( -0.043 -4.282 0.691) 4.337 11.824 ( -0.043 4.282 0.691) 4.337 12.079 ( -9.958 -8.554 0.820) 13.153 12.079 ( -9.958 8.554 0.820) 13.153 12.330 ( 0.616 -5.010 1.866) 5.382 12.330 ( 0.616 5.010 1.866) 5.382 12.448 ( 0.641 -0.934 -1.659) 2.009 12.448 ( 0.641 0.934 -1.659) 2.009 12.732 ( 4.631 -2.567 -2.132) 5.708 12.732 ( 4.631 2.567 -2.132) 5.708 ======================= Grid point 89 (36/36) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.864 -4.097 2.170) 4.996 0.836 ( 1.864 4.097 2.170) 4.996 0.939 ( -5.077 -1.346 1.187) 5.385 0.939 ( -5.077 1.346 1.187) 5.385 1.086 ( 3.873 -1.327 1.615) 4.401 1.086 ( 3.873 1.327 1.615) 4.401 1.141 ( -0.689 -2.505 -1.742) 3.128 1.141 ( -0.689 2.505 -1.742) 3.128 1.180 ( 0.197 -1.712 -2.308) 2.880 1.180 ( 0.197 1.712 -2.308) 2.880 1.262 ( -2.307 -2.435 2.169) 3.995 1.262 ( -2.307 2.435 2.169) 3.995 1.447 ( 0.844 -0.947 -0.832) 1.517 1.447 ( 0.844 0.947 -0.832) 1.517 1.573 ( -3.423 -1.608 2.709) 4.652 1.573 ( -3.423 1.608 2.709) 4.652 1.682 ( -1.044 -0.864 -3.092) 3.376 1.682 ( -1.044 0.864 -3.092) 3.376 1.708 ( 2.028 -0.205 0.328) 2.064 1.708 ( 2.028 0.205 0.328) 2.064 1.766 ( -2.314 -1.243 1.343) 2.950 1.766 ( -2.314 1.243 1.343) 2.950 1.810 ( -2.706 -2.534 -0.510) 3.742 1.810 ( -2.706 2.534 -0.510) 3.742 1.950 ( -0.695 -0.503 -1.675) 1.882 1.950 ( -0.695 0.503 -1.675) 1.882 1.964 ( -0.482 -1.055 2.165) 2.456 1.964 ( -0.482 1.055 2.165) 2.456 2.125 ( 0.450 -1.040 0.364) 1.190 2.125 ( 0.450 1.040 0.364) 1.190 2.175 ( 0.196 -1.456 1.708) 2.253 2.175 ( 0.196 1.456 1.708) 2.253 2.276 ( -1.422 -0.566 1.430) 2.095 2.276 ( -1.422 0.566 1.430) 2.095 2.646 ( -1.548 -0.304 0.587) 1.684 2.646 ( -1.548 0.304 0.587) 1.684 2.657 ( -0.420 -0.626 1.141) 1.368 2.657 ( -0.420 0.626 1.141) 1.368 3.201 ( 5.698 -2.158 3.118) 6.845 3.201 ( 5.698 2.158 3.118) 6.845 3.421 ( 2.871 -2.117 5.485) 6.543 3.421 ( 2.871 2.117 5.485) 6.543 3.555 ( 1.930 -1.961 4.263) 5.074 3.555 ( 1.930 1.961 4.263) 5.074 3.675 ( -1.843 -0.901 6.202) 6.532 3.675 ( -1.843 0.901 6.202) 6.532 3.822 ( 5.234 -1.788 2.202) 5.953 3.822 ( 5.234 1.788 2.202) 5.953 3.907 ( 2.580 -0.283 2.150) 3.370 3.907 ( 2.580 0.283 2.150) 3.370 4.065 ( -0.255 -0.668 -2.081) 2.201 4.065 ( -0.255 0.668 -2.081) 2.201 4.291 ( 3.887 -7.139 -0.352) 8.136 4.291 ( 3.887 7.139 -0.352) 8.136 4.433 ( -9.356 -6.507 -5.074) 12.475 4.433 ( -9.356 6.507 -5.074) 12.475 4.709 ( -0.954 -0.345 -3.405) 3.553 4.709 ( -0.954 0.345 -3.405) 3.553 4.826 ( 0.815 -0.473 -1.849) 2.076 4.826 ( 0.815 0.473 -1.849) 2.076 5.276 ( -0.609 -0.200 -1.181) 1.343 5.276 ( -0.609 0.200 -1.181) 1.343 5.534 ( 2.661 -1.550 0.009) 3.080 5.534 ( 2.661 1.550 0.009) 3.080 5.776 ( -0.362 -0.836 0.450) 1.016 5.776 ( -0.362 0.836 0.450) 1.016 6.247 ( -0.437 -0.683 1.526) 1.728 6.247 ( -0.437 0.683 1.526) 1.728 6.556 ( 0.541 -0.895 -1.066) 1.494 6.556 ( 0.541 0.895 -1.066) 1.494 6.967 ( -1.709 -0.072 -0.379) 1.752 6.967 ( -1.709 0.072 -0.379) 1.752 7.215 ( 0.737 -0.420 1.813) 2.002 7.215 ( 0.737 0.420 1.813) 2.002 7.511 ( 0.543 -0.516 -2.487) 2.598 7.511 ( 0.543 0.516 -2.487) 2.598 7.628 ( -0.384 -0.863 8.553) 8.605 7.628 ( -0.384 0.863 8.553) 8.605 7.870 ( 0.620 -0.213 -6.926) 6.957 7.870 ( 0.620 0.213 -6.926) 6.957 8.286 ( -0.168 -0.859 -0.634) 1.081 8.286 ( -0.168 0.859 -0.634) 1.081 8.580 ( -0.199 -1.769 0.479) 1.844 8.580 ( -0.199 1.769 0.479) 1.844 8.903 ( -0.533 -0.508 0.510) 0.896 8.903 ( -0.533 0.508 0.510) 0.896 9.085 ( 0.753 -0.609 0.757) 1.229 9.085 ( 0.753 0.609 0.757) 1.229 9.140 ( -0.621 -1.035 1.569) 1.979 9.140 ( -0.621 1.035 1.569) 1.979 9.231 ( 0.289 -0.107 -1.784) 1.810 9.231 ( 0.289 0.107 -1.784) 1.810 9.576 ( 4.325 -2.383 1.062) 5.051 9.576 ( 4.325 2.383 1.062) 5.051 9.687 ( -3.195 -2.493 0.025) 4.053 9.687 ( -3.195 2.493 0.025) 4.053 9.734 ( -1.354 -1.734 0.264) 2.216 9.734 ( -1.354 1.734 0.264) 2.216 9.866 ( 1.040 -2.287 1.144) 2.761 9.866 ( 1.040 2.287 1.144) 2.761 10.007 ( 0.914 -1.356 -1.999) 2.582 10.007 ( 0.914 1.356 -1.999) 2.582 10.131 ( -1.863 -1.925 0.703) 2.770 10.131 ( -1.863 1.925 0.703) 2.770 10.159 ( -3.048 -2.195 -0.337) 3.771 10.159 ( -3.048 2.195 -0.337) 3.771 10.237 ( 0.106 -1.368 -1.088) 1.751 10.237 ( 0.106 1.368 -1.088) 1.751 10.734 ( 1.337 -1.673 1.105) 2.409 10.734 ( 1.337 1.673 1.105) 2.409 10.810 ( 1.623 -0.684 -2.526) 3.080 10.810 ( 1.623 0.684 -2.526) 3.080 10.841 ( 2.277 -0.370 -0.265) 2.322 10.841 ( 2.277 0.370 -0.265) 2.322 11.062 ( -2.565 -1.264 -0.024) 2.860 11.062 ( -2.565 1.264 -0.024) 2.860 11.230 ( 2.137 -1.729 -1.916) 3.350 11.230 ( 2.137 1.729 -1.916) 3.350 11.274 ( -2.017 -1.875 -1.044) 2.945 11.274 ( -2.017 1.875 -1.044) 2.945 11.457 ( 2.967 -0.524 0.213) 3.021 11.457 ( 2.967 0.524 0.213) 3.021 11.797 ( -2.633 -3.938 -0.048) 4.737 11.797 ( -2.633 3.938 -0.048) 4.737 11.941 ( -3.011 -4.984 1.499) 6.013 11.941 ( -3.011 4.984 1.499) 6.013 12.325 ( -0.434 -1.429 2.458) 2.876 12.325 ( -0.434 1.429 2.458) 2.876 12.457 ( 0.220 -0.415 -2.359) 2.405 12.457 ( 0.220 0.415 -2.359) 2.405 12.805 ( 2.144 -1.085 -2.934) 3.792 12.805 ( 2.144 1.085 -2.934) 3.792 =================== 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 3/18480 10.0 22.644 34.701 25.525 0.000 0.000 0.000 3/18480 20.0 4.499 6.761 5.445 0.000 0.000 -0.000 3/18480 30.0 2.093 3.075 2.514 0.000 0.000 -0.000 3/18480 40.0 1.314 1.898 1.559 0.000 0.000 -0.000 3/18480 50.0 0.951 1.359 1.121 0.000 0.000 -0.000 3/18480 60.0 0.746 1.057 0.878 0.000 0.000 -0.000 3/18480 70.0 0.615 0.865 0.724 0.000 0.000 -0.000 3/18480 80.0 0.524 0.733 0.619 0.000 0.000 -0.000 3/18480 90.0 0.457 0.637 0.542 0.000 0.000 -0.000 3/18480 100.0 0.406 0.563 0.484 0.000 0.000 -0.000 3/18480 110.0 0.366 0.505 0.438 0.000 0.000 -0.000 3/18480 120.0 0.333 0.459 0.401 0.000 0.000 -0.000 3/18480 130.0 0.306 0.420 0.370 0.000 0.000 -0.000 3/18480 140.0 0.284 0.387 0.343 0.000 0.000 -0.000 3/18480 150.0 0.265 0.360 0.321 0.000 0.000 -0.000 3/18480 160.0 0.248 0.336 0.301 0.000 0.000 -0.000 3/18480 170.0 0.233 0.315 0.284 0.000 0.000 -0.000 3/18480 180.0 0.220 0.297 0.269 0.000 0.000 -0.000 3/18480 190.0 0.209 0.281 0.255 0.000 0.000 -0.000 3/18480 200.0 0.199 0.266 0.243 0.000 0.000 -0.000 3/18480 210.0 0.189 0.253 0.232 0.000 0.000 -0.000 3/18480 220.0 0.181 0.241 0.222 0.000 0.000 -0.000 3/18480 230.0 0.173 0.231 0.213 0.000 0.000 -0.000 3/18480 240.0 0.166 0.221 0.204 0.000 0.000 -0.000 3/18480 250.0 0.160 0.212 0.196 0.000 0.000 -0.000 3/18480 260.0 0.154 0.204 0.189 0.000 0.000 -0.000 3/18480 270.0 0.148 0.196 0.182 0.000 0.000 -0.000 3/18480 280.0 0.143 0.189 0.176 0.000 0.000 -0.000 3/18480 290.0 0.138 0.182 0.170 0.000 0.000 -0.000 3/18480 300.0 0.134 0.176 0.165 0.000 0.000 -0.000 3/18480 310.0 0.129 0.171 0.160 0.000 0.000 -0.000 3/18480 320.0 0.126 0.165 0.155 0.000 0.000 -0.000 3/18480 330.0 0.122 0.160 0.150 0.000 0.000 -0.000 3/18480 340.0 0.118 0.155 0.146 0.000 0.000 -0.000 3/18480 350.0 0.115 0.151 0.142 0.000 0.000 -0.000 3/18480 360.0 0.112 0.147 0.138 0.000 0.000 -0.000 3/18480 370.0 0.109 0.143 0.135 0.000 0.000 -0.000 3/18480 380.0 0.106 0.139 0.131 0.000 0.000 -0.000 3/18480 390.0 0.103 0.136 0.128 0.000 0.000 -0.000 3/18480 400.0 0.101 0.132 0.125 0.000 0.000 -0.000 3/18480 410.0 0.099 0.129 0.122 0.000 0.000 -0.000 3/18480 420.0 0.096 0.126 0.119 0.000 0.000 -0.000 3/18480 430.0 0.094 0.123 0.116 0.000 0.000 -0.000 3/18480 440.0 0.092 0.120 0.114 0.000 0.000 -0.000 3/18480 450.0 0.090 0.117 0.111 0.000 0.000 -0.000 3/18480 460.0 0.088 0.115 0.109 0.000 0.000 -0.000 3/18480 470.0 0.086 0.112 0.107 0.000 0.000 -0.000 3/18480 480.0 0.084 0.110 0.105 0.000 0.000 -0.000 3/18480 490.0 0.083 0.108 0.103 0.000 0.000 -0.000 3/18480 500.0 0.081 0.106 0.101 0.000 0.000 -0.000 3/18480 510.0 0.080 0.104 0.099 0.000 0.000 -0.000 3/18480 520.0 0.078 0.102 0.097 0.000 0.000 -0.000 3/18480 530.0 0.077 0.100 0.095 0.000 0.000 -0.000 3/18480 540.0 0.075 0.098 0.093 0.000 0.000 -0.000 3/18480 550.0 0.074 0.096 0.092 0.000 0.000 -0.000 3/18480 560.0 0.073 0.094 0.090 0.000 0.000 -0.000 3/18480 570.0 0.071 0.093 0.088 0.000 0.000 -0.000 3/18480 580.0 0.070 0.091 0.087 0.000 0.000 -0.000 3/18480 590.0 0.069 0.090 0.086 0.000 0.000 -0.000 3/18480 600.0 0.068 0.088 0.084 0.000 0.000 -0.000 3/18480 610.0 0.067 0.087 0.083 0.000 0.000 -0.000 3/18480 620.0 0.066 0.085 0.081 0.000 0.000 -0.000 3/18480 630.0 0.065 0.084 0.080 0.000 0.000 -0.000 3/18480 640.0 0.064 0.083 0.079 0.000 0.000 -0.000 3/18480 650.0 0.063 0.081 0.078 0.000 0.000 -0.000 3/18480 660.0 0.062 0.080 0.077 0.000 0.000 -0.000 3/18480 670.0 0.061 0.079 0.075 0.000 0.000 -0.000 3/18480 680.0 0.060 0.078 0.074 0.000 0.000 -0.000 3/18480 690.0 0.059 0.077 0.073 0.000 0.000 -0.000 3/18480 700.0 0.058 0.076 0.072 0.000 0.000 -0.000 3/18480 710.0 0.057 0.075 0.071 0.000 0.000 -0.000 3/18480 720.0 0.057 0.073 0.070 0.000 0.000 -0.000 3/18480 730.0 0.056 0.072 0.069 0.000 0.000 -0.000 3/18480 740.0 0.055 0.072 0.068 0.000 0.000 -0.000 3/18480 750.0 0.054 0.071 0.068 0.000 0.000 -0.000 3/18480 760.0 0.054 0.070 0.067 0.000 0.000 -0.000 3/18480 770.0 0.053 0.069 0.066 0.000 0.000 -0.000 3/18480 780.0 0.052 0.068 0.065 0.000 0.000 -0.000 3/18480 790.0 0.052 0.067 0.064 0.000 0.000 -0.000 3/18480 800.0 0.051 0.066 0.063 0.000 0.000 -0.000 3/18480 810.0 0.050 0.065 0.063 0.000 0.000 -0.000 3/18480 820.0 0.050 0.065 0.062 0.000 0.000 -0.000 3/18480 830.0 0.049 0.064 0.061 0.000 0.000 -0.000 3/18480 840.0 0.049 0.063 0.060 0.000 0.000 -0.000 3/18480 850.0 0.048 0.062 0.060 0.000 0.000 -0.000 3/18480 860.0 0.047 0.062 0.059 0.000 0.000 -0.000 3/18480 870.0 0.047 0.061 0.058 0.000 0.000 -0.000 3/18480 880.0 0.046 0.060 0.058 0.000 0.000 -0.000 3/18480 890.0 0.046 0.059 0.057 0.000 0.000 -0.000 3/18480 900.0 0.045 0.059 0.056 0.000 0.000 -0.000 3/18480 910.0 0.045 0.058 0.056 0.000 0.000 -0.000 3/18480 920.0 0.044 0.058 0.055 0.000 0.000 -0.000 3/18480 930.0 0.044 0.057 0.055 0.000 0.000 -0.000 3/18480 940.0 0.043 0.056 0.054 0.000 0.000 -0.000 3/18480 950.0 0.043 0.056 0.054 0.000 0.000 -0.000 3/18480 960.0 0.043 0.055 0.053 0.000 0.000 -0.000 3/18480 970.0 0.042 0.055 0.052 0.000 0.000 -0.000 3/18480 980.0 0.042 0.054 0.052 0.000 0.000 -0.000 3/18480 990.0 0.041 0.053 0.051 0.000 0.000 -0.000 3/18480 1000.0 0.041 0.053 0.051 0.000 0.000 -0.000 3/18480 Thermal conductivity related properties were written into "kappa-m547.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:24:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|