----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:04:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.489470891554028 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718627130000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): *1 O 0.77706828979276 0.16867952326627 0.92596042601698 15.999 2 O 0.22293171020724 0.66867952326627 0.57403957398302 15.999 3 O 0.22293171020724 0.83132047673373 0.07403957398302 15.999 4 O 0.77706828979276 0.33132047673373 0.42596042601698 15.999 *5 O 0.64753312035504 0.16700685103291 0.13730958664196 15.999 6 O 0.35246687964496 0.66700685103291 0.36269041335805 15.999 7 O 0.35246687964496 0.83299314896709 0.86269041335804 15.999 8 O 0.64753312035504 0.33299314896709 0.63730958664196 15.999 *9 O 0.17427517300706 0.25121630125367 0.19532226186620 15.999 10 O 0.82572482699294 0.75121630125367 0.30467773813380 15.999 11 O 0.82572482699294 0.74878369874633 0.80467773813380 15.999 12 O 0.17427517300706 0.24878369874633 0.69532226186620 15.999 *13 O 0.77404383686793 0.98391916592556 0.55707437653269 15.999 14 O 0.22595616313207 0.48391916592556 0.94292562346731 15.999 15 O 0.22595616313207 0.01608083407444 0.44292562346731 15.999 16 O 0.77404383686793 0.51608083407444 0.05707437653269 15.999 *17 Si 0.85010993850431 0.28197037013938 0.08170595638625 28.085 18 Si 0.14989006149569 0.78197037013938 0.41829404361375 28.085 19 Si 0.14989006149569 0.71802962986062 0.91829404361375 28.085 20 Si 0.85010993850431 0.21802962986062 0.58170595638625 28.085 *21 Ca 0.51596915742767 0.49776908188406 0.79815488170724 40.078 22 Ca 0.48403084257233 0.99776908188406 0.70184511829276 40.078 23 Ca 0.48403084257233 0.50223091811594 0.20184511829276 40.078 24 Ca 0.51596915742767 0.00223091811594 0.29815488170724 40.078 *25 Ca 0.79363304803193 0.84432356095851 0.06807831292045 40.078 26 Ca 0.20636695196807 0.34432356095851 0.43192168707955 40.078 27 Ca 0.20636695196807 0.15567643904149 0.93192168707955 40.078 28 Ca 0.79363304803193 0.65567643904149 0.56807831292045 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.489470891554028 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718627130000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): *1 O 0.77706828979276 0.16867952326627 0.92596042601698 15.999 > 1 2 O 0.22293171020724 0.66867952326627 0.57403957398302 15.999 > 2 3 O 0.22293171020724 0.83132047673373 0.07403957398302 15.999 > 3 4 O 0.77706828979276 0.33132047673373 0.42596042601698 15.999 > 4 *5 O 0.64753312035504 0.16700685103291 0.13730958664196 15.999 > 5 6 O 0.35246687964496 0.66700685103291 0.36269041335805 15.999 > 6 7 O 0.35246687964496 0.83299314896709 0.86269041335804 15.999 > 7 8 O 0.64753312035504 0.33299314896709 0.63730958664196 15.999 > 8 *9 O 0.17427517300706 0.25121630125367 0.19532226186620 15.999 > 9 10 O 0.82572482699294 0.75121630125367 0.30467773813380 15.999 > 10 11 O 0.82572482699294 0.74878369874633 0.80467773813380 15.999 > 11 12 O 0.17427517300706 0.24878369874633 0.69532226186620 15.999 > 12 *13 O 0.77404383686793 0.98391916592556 0.55707437653269 15.999 > 13 14 O 0.22595616313207 0.48391916592556 0.94292562346731 15.999 > 14 15 O 0.22595616313207 0.01608083407444 0.44292562346731 15.999 > 15 16 O 0.77404383686793 0.51608083407444 0.05707437653269 15.999 > 16 *17 Si 0.85010993850431 0.28197037013938 0.08170595638625 28.085 > 17 18 Si 0.14989006149569 0.78197037013938 0.41829404361375 28.085 > 18 19 Si 0.14989006149569 0.71802962986062 0.91829404361375 28.085 > 19 20 Si 0.85010993850431 0.21802962986062 0.58170595638625 28.085 > 20 *21 Ca 0.51596915742767 0.49776908188406 0.79815488170724 40.078 > 21 22 Ca 0.48403084257233 0.99776908188406 0.70184511829276 40.078 > 22 23 Ca 0.48403084257233 0.50223091811594 0.20184511829276 40.078 > 23 24 Ca 0.51596915742767 0.00223091811594 0.29815488170724 40.078 > 24 *25 Ca 0.79363304803193 0.84432356095851 0.06807831292045 40.078 > 25 26 Ca 0.20636695196807 0.34432356095851 0.43192168707955 40.078 > 26 27 Ca 0.20636695196807 0.15567643904149 0.93192168707955 40.078 > 27 28 Ca 0.79363304803193 0.65567643904149 0.56807831292045 40.078 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.978941783108056 0.000000000000000 0.000000000000000 b 0.000000000000000 13.437254260000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): *1 O 0.38853414489638 0.08433976163314 0.92596042601698 15.999 > 1 2 O 0.88853414489638 0.08433976163314 0.92596042601698 15.999 > 1 3 O 0.38853414489638 0.58433976163314 0.92596042601698 15.999 > 1 4 O 0.88853414489638 0.58433976163314 0.92596042601698 15.999 > 1 5 O 0.11146585510362 0.33433976163314 0.57403957398302 15.999 > 2 6 O 0.61146585510362 0.33433976163314 0.57403957398302 15.999 > 2 7 O 0.11146585510362 0.83433976163314 0.57403957398302 15.999 > 2 8 O 0.61146585510362 0.83433976163314 0.57403957398302 15.999 > 2 9 O 0.11146585510362 0.41566023836686 0.07403957398302 15.999 > 3 10 O 0.61146585510362 0.41566023836686 0.07403957398302 15.999 > 3 11 O 0.11146585510362 0.91566023836686 0.07403957398302 15.999 > 3 12 O 0.61146585510362 0.91566023836686 0.07403957398302 15.999 > 3 13 O 0.38853414489638 0.16566023836686 0.42596042601698 15.999 > 4 14 O 0.88853414489638 0.16566023836686 0.42596042601698 15.999 > 4 15 O 0.38853414489638 0.66566023836686 0.42596042601698 15.999 > 4 16 O 0.88853414489638 0.66566023836686 0.42596042601698 15.999 > 4 *17 O 0.32376656017752 0.08350342551646 0.13730958664196 15.999 > 5 18 O 0.82376656017752 0.08350342551646 0.13730958664196 15.999 > 5 19 O 0.32376656017752 0.58350342551646 0.13730958664196 15.999 > 5 20 O 0.82376656017752 0.58350342551646 0.13730958664196 15.999 > 5 21 O 0.17623343982248 0.33350342551646 0.36269041335805 15.999 > 6 22 O 0.67623343982248 0.33350342551646 0.36269041335805 15.999 > 6 23 O 0.17623343982248 0.83350342551646 0.36269041335805 15.999 > 6 24 O 0.67623343982248 0.83350342551646 0.36269041335805 15.999 > 6 25 O 0.17623343982248 0.41649657448354 0.86269041335804 15.999 > 7 26 O 0.67623343982248 0.41649657448354 0.86269041335804 15.999 > 7 27 O 0.17623343982248 0.91649657448354 0.86269041335804 15.999 > 7 28 O 0.67623343982248 0.91649657448354 0.86269041335804 15.999 > 7 29 O 0.32376656017752 0.16649657448354 0.63730958664196 15.999 > 8 30 O 0.82376656017752 0.16649657448354 0.63730958664196 15.999 > 8 31 O 0.32376656017752 0.66649657448354 0.63730958664196 15.999 > 8 32 O 0.82376656017752 0.66649657448354 0.63730958664196 15.999 > 8 *33 O 0.08713758650353 0.12560815062684 0.19532226186620 15.999 > 9 34 O 0.58713758650353 0.12560815062684 0.19532226186620 15.999 > 9 35 O 0.08713758650353 0.62560815062684 0.19532226186620 15.999 > 9 36 O 0.58713758650353 0.62560815062684 0.19532226186620 15.999 > 9 37 O 0.41286241349647 0.37560815062684 0.30467773813380 15.999 > 10 38 O 0.91286241349647 0.37560815062684 0.30467773813380 15.999 > 10 39 O 0.41286241349647 0.87560815062684 0.30467773813380 15.999 > 10 40 O 0.91286241349647 0.87560815062684 0.30467773813380 15.999 > 10 41 O 0.41286241349647 0.37439184937316 0.80467773813380 15.999 > 11 42 O 0.91286241349647 0.37439184937316 0.80467773813380 15.999 > 11 43 O 0.41286241349647 0.87439184937316 0.80467773813380 15.999 > 11 44 O 0.91286241349647 0.87439184937316 0.80467773813380 15.999 > 11 45 O 0.08713758650353 0.12439184937316 0.69532226186620 15.999 > 12 46 O 0.58713758650353 0.12439184937316 0.69532226186620 15.999 > 12 47 O 0.08713758650353 0.62439184937316 0.69532226186620 15.999 > 12 48 O 0.58713758650353 0.62439184937316 0.69532226186620 15.999 > 12 *49 O 0.38702191843397 0.49195958296278 0.55707437653269 15.999 > 13 50 O 0.88702191843397 0.49195958296278 0.55707437653269 15.999 > 13 51 O 0.38702191843397 0.99195958296278 0.55707437653269 15.999 > 13 52 O 0.88702191843397 0.99195958296278 0.55707437653269 15.999 > 13 53 O 0.11297808156603 0.24195958296278 0.94292562346731 15.999 > 14 54 O 0.61297808156603 0.24195958296278 0.94292562346731 15.999 > 14 55 O 0.11297808156603 0.74195958296278 0.94292562346731 15.999 > 14 56 O 0.61297808156603 0.74195958296278 0.94292562346731 15.999 > 14 57 O 0.11297808156603 0.00804041703722 0.44292562346731 15.999 > 15 58 O 0.61297808156603 0.00804041703722 0.44292562346731 15.999 > 15 59 O 0.11297808156603 0.50804041703722 0.44292562346731 15.999 > 15 60 O 0.61297808156603 0.50804041703722 0.44292562346731 15.999 > 15 61 O 0.38702191843397 0.25804041703722 0.05707437653269 15.999 > 16 62 O 0.88702191843397 0.25804041703722 0.05707437653269 15.999 > 16 63 O 0.38702191843397 0.75804041703722 0.05707437653269 15.999 > 16 64 O 0.88702191843397 0.75804041703722 0.05707437653269 15.999 > 16 *65 Si 0.42505496925216 0.14098518506969 0.08170595638625 28.085 > 17 66 Si 0.92505496925216 0.14098518506969 0.08170595638625 28.085 > 17 67 Si 0.42505496925216 0.64098518506969 0.08170595638625 28.085 > 17 68 Si 0.92505496925216 0.64098518506969 0.08170595638625 28.085 > 17 69 Si 0.07494503074784 0.39098518506969 0.41829404361375 28.085 > 18 70 Si 0.57494503074784 0.39098518506969 0.41829404361375 28.085 > 18 71 Si 0.07494503074784 0.89098518506969 0.41829404361375 28.085 > 18 72 Si 0.57494503074784 0.89098518506969 0.41829404361375 28.085 > 18 73 Si 0.07494503074784 0.35901481493031 0.91829404361375 28.085 > 19 74 Si 0.57494503074784 0.35901481493031 0.91829404361375 28.085 > 19 75 Si 0.07494503074784 0.85901481493031 0.91829404361375 28.085 > 19 76 Si 0.57494503074784 0.85901481493031 0.91829404361375 28.085 > 19 77 Si 0.42505496925216 0.10901481493031 0.58170595638625 28.085 > 20 78 Si 0.92505496925216 0.10901481493031 0.58170595638625 28.085 > 20 79 Si 0.42505496925216 0.60901481493031 0.58170595638625 28.085 > 20 80 Si 0.92505496925216 0.60901481493031 0.58170595638625 28.085 > 20 *81 Ca 0.25798457871383 0.24888454094203 0.79815488170724 40.078 > 21 82 Ca 0.75798457871383 0.24888454094203 0.79815488170724 40.078 > 21 83 Ca 0.25798457871383 0.74888454094203 0.79815488170724 40.078 > 21 84 Ca 0.75798457871383 0.74888454094203 0.79815488170724 40.078 > 21 85 Ca 0.24201542128617 0.49888454094203 0.70184511829276 40.078 > 22 86 Ca 0.74201542128617 0.49888454094203 0.70184511829276 40.078 > 22 87 Ca 0.24201542128617 0.99888454094203 0.70184511829276 40.078 > 22 88 Ca 0.74201542128617 0.99888454094203 0.70184511829276 40.078 > 22 89 Ca 0.24201542128617 0.25111545905797 0.20184511829276 40.078 > 23 90 Ca 0.74201542128617 0.25111545905797 0.20184511829276 40.078 > 23 91 Ca 0.24201542128617 0.75111545905797 0.20184511829276 40.078 > 23 92 Ca 0.74201542128617 0.75111545905797 0.20184511829276 40.078 > 23 93 Ca 0.25798457871383 0.00111545905797 0.29815488170724 40.078 > 24 94 Ca 0.75798457871383 0.00111545905797 0.29815488170724 40.078 > 24 95 Ca 0.25798457871383 0.50111545905797 0.29815488170724 40.078 > 24 96 Ca 0.75798457871383 0.50111545905797 0.29815488170724 40.078 > 24 *97 Ca 0.39681652401597 0.42216178047926 0.06807831292045 40.078 > 25 98 Ca 0.89681652401597 0.42216178047926 0.06807831292045 40.078 > 25 99 Ca 0.39681652401597 0.92216178047926 0.06807831292045 40.078 > 25 100 Ca 0.89681652401597 0.92216178047926 0.06807831292045 40.078 > 25 101 Ca 0.10318347598403 0.17216178047926 0.43192168707955 40.078 > 26 102 Ca 0.60318347598403 0.17216178047926 0.43192168707955 40.078 > 26 103 Ca 0.10318347598403 0.67216178047926 0.43192168707955 40.078 > 26 104 Ca 0.60318347598403 0.67216178047926 0.43192168707955 40.078 > 26 105 Ca 0.10318347598403 0.07783821952074 0.93192168707955 40.078 > 27 106 Ca 0.60318347598403 0.07783821952074 0.93192168707955 40.078 > 27 107 Ca 0.10318347598403 0.57783821952074 0.93192168707955 40.078 > 27 108 Ca 0.60318347598403 0.57783821952074 0.93192168707955 40.078 > 27 109 Ca 0.39681652401597 0.32783821952074 0.56807831292045 40.078 > 28 110 Ca 0.89681652401597 0.32783821952074 0.56807831292045 40.078 > 28 111 Ca 0.39681652401597 0.82783821952074 0.56807831292045 40.078 > 28 112 Ca 0.89681652401597 0.82783821952074 0.56807831292045 40.078 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3495216 0.0000000 0.0044427 0.0000000 3.4142391 0.0000000 0.0044417 0.0000000 3.3028157 -------------------------- Born effective charges -------------------------- 1 O -1.8283123 0.0898491 0.1091211 0.0822436 -1.8569161 -0.3101951 0.0399131 -0.2973781 -2.2097794 2 O -1.8283123 -0.0898491 0.1091211 -0.0822436 -1.8569161 0.3101951 0.0399131 0.2973781 -2.2097794 3 O -1.8283123 0.0898491 0.1091211 0.0822436 -1.8569161 -0.3101951 0.0399131 -0.2973781 -2.2097794 4 O -1.8283123 -0.0898491 0.1091211 -0.0822436 -1.8569161 0.3101951 0.0399131 0.2973781 -2.2097794 5 O -2.2741405 -0.2810579 0.2107369 -0.2650577 -1.9209006 0.1121833 0.2632817 0.1305335 -1.6864990 6 O -2.2741405 0.2810579 0.2107369 0.2650577 -1.9209006 -0.1121833 0.2632817 -0.1305335 -1.6864990 7 O -2.2741405 -0.2810579 0.2107369 -0.2650577 -1.9209006 0.1121833 0.2632817 0.1305335 -1.6864990 8 O -2.2741405 0.2810579 0.2107369 0.2650577 -1.9209006 -0.1121833 0.2632817 -0.1305335 -1.6864990 9 O -2.1857393 0.0862764 -0.3859854 0.0488981 -1.6583035 0.0920557 -0.4505404 0.0291858 -2.0532061 10 O -2.1857393 -0.0862764 -0.3859854 -0.0488981 -1.6583035 -0.0920557 -0.4505404 -0.0291858 -2.0532061 11 O -2.1857393 0.0862764 -0.3859854 0.0488981 -1.6583035 0.0920557 -0.4505404 0.0291858 -2.0532061 12 O -2.1857393 -0.0862764 -0.3859854 -0.0488981 -1.6583035 -0.0920557 -0.4505404 -0.0291858 -2.0532061 13 O -1.5532625 -0.1425743 0.0343044 -0.1292324 -2.6441241 -0.1279778 0.0374498 -0.1259132 -1.6324910 14 O -1.5532625 0.1425743 0.0343044 0.1292324 -2.6441241 0.1279778 0.0374498 0.1259132 -1.6324910 15 O -1.5532625 -0.1425743 0.0343044 -0.1292324 -2.6441241 -0.1279778 0.0374498 -0.1259132 -1.6324910 16 O -1.5532625 0.1425743 0.0343044 0.1292324 -2.6441241 0.1279778 0.0374498 0.1259132 -1.6324910 17 Si 3.0134532 0.0614465 0.0725060 0.0432156 2.9724779 0.0069691 0.1130409 -0.0233962 2.6931809 18 Si 3.0134532 -0.0614465 0.0725060 -0.0432156 2.9724779 -0.0069691 0.1130409 0.0233962 2.6931809 19 Si 3.0134532 0.0614465 0.0725060 0.0432156 2.9724779 0.0069691 0.1130409 -0.0233962 2.6931809 20 Si 3.0134532 -0.0614465 0.0725060 -0.0432156 2.9724779 -0.0069691 0.1130409 0.0233962 2.6931809 21 Ca 2.4245523 0.0352575 -0.0701485 -0.0349545 2.3751552 0.0411176 0.0048567 0.1041910 2.6331544 22 Ca 2.4245523 -0.0352575 -0.0701485 0.0349545 2.3751552 -0.0411176 0.0048567 -0.1041910 2.6331544 23 Ca 2.4245523 0.0352575 -0.0701485 -0.0349545 2.3751552 0.0411176 0.0048567 0.1041910 2.6331544 24 Ca 2.4245523 -0.0352575 -0.0701485 0.0349545 2.3751552 -0.0411176 0.0048567 -0.1041910 2.6331544 25 Ca 2.4034491 -0.0588481 0.0294654 -0.0312863 2.7326113 -0.0206294 -0.0080020 -0.0585136 2.2556402 26 Ca 2.4034491 0.0588481 0.0294654 0.0312863 2.7326113 0.0206294 -0.0080020 0.0585136 2.2556402 27 Ca 2.4034491 -0.0588481 0.0294654 -0.0312863 2.7326113 -0.0206294 -0.0080020 -0.0585136 2.2556402 28 Ca 2.4034491 0.0588481 0.0294654 0.0312863 2.7326113 0.0206294 -0.0080020 0.0585136 2.2556402 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.439 Solver_block: 200 / 880 - Time: 1.421 Solver_block: 300 / 880 - Time: 1.386 Solver_block: 400 / 880 - Time: 1.402 Solver_block: 500 / 880 - Time: 1.402 Solver_block: 600 / 880 - Time: 1.385 Solver_block: 700 / 880 - Time: 1.380 Solver_block: 800 / 880 - Time: 1.382 Solver_block: 880 / 880 - Time: 1.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.582 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:04:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:04:59]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.489470891554028 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718627130000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): 1 O 0.77706828979276 0.16867952326627 0.92596042601698 15.999 2 O 0.22293171020724 0.66867952326627 0.57403957398302 15.999 3 O 0.22293171020724 0.83132047673373 0.07403957398302 15.999 4 O 0.77706828979276 0.33132047673373 0.42596042601698 15.999 5 O 0.64753312035504 0.16700685103291 0.13730958664196 15.999 6 O 0.35246687964496 0.66700685103291 0.36269041335805 15.999 7 O 0.35246687964496 0.83299314896709 0.86269041335804 15.999 8 O 0.64753312035504 0.33299314896709 0.63730958664196 15.999 9 O 0.17427517300706 0.25121630125367 0.19532226186620 15.999 10 O 0.82572482699294 0.75121630125367 0.30467773813380 15.999 11 O 0.82572482699294 0.74878369874633 0.80467773813380 15.999 12 O 0.17427517300706 0.24878369874633 0.69532226186620 15.999 13 O 0.77404383686793 0.98391916592556 0.55707437653269 15.999 14 O 0.22595616313207 0.48391916592556 0.94292562346731 15.999 15 O 0.22595616313207 0.01608083407444 0.44292562346731 15.999 16 O 0.77404383686793 0.51608083407444 0.05707437653269 15.999 17 Si 0.85010993850431 0.28197037013938 0.08170595638625 28.085 18 Si 0.14989006149569 0.78197037013938 0.41829404361375 28.085 19 Si 0.14989006149569 0.71802962986062 0.91829404361375 28.085 20 Si 0.85010993850431 0.21802962986062 0.58170595638625 28.085 21 Ca 0.51596915742767 0.49776908188406 0.79815488170724 40.078 22 Ca 0.48403084257233 0.99776908188406 0.70184511829276 40.078 23 Ca 0.48403084257233 0.50223091811594 0.20184511829276 40.078 24 Ca 0.51596915742767 0.00223091811594 0.29815488170724 40.078 25 Ca 0.79363304803193 0.84432356095851 0.06807831292045 40.078 26 Ca 0.20636695196807 0.34432356095851 0.43192168707955 40.078 27 Ca 0.20636695196807 0.15567643904149 0.93192168707955 40.078 28 Ca 0.79363304803193 0.65567643904149 0.56807831292045 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.978941783108056 0.000000000000000 0.000000000000000 b 0.000000000000000 13.437254260000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): 1 O 0.38853414489638 0.08433976163314 0.92596042601698 15.999 > 1 2 O 0.88853414489638 0.08433976163314 0.92596042601698 15.999 > 1 3 O 0.38853414489638 0.58433976163314 0.92596042601698 15.999 > 1 4 O 0.88853414489638 0.58433976163314 0.92596042601698 15.999 > 1 5 O 0.11146585510362 0.33433976163314 0.57403957398302 15.999 > 5 6 O 0.61146585510362 0.33433976163314 0.57403957398302 15.999 > 5 7 O 0.11146585510362 0.83433976163314 0.57403957398302 15.999 > 5 8 O 0.61146585510362 0.83433976163314 0.57403957398302 15.999 > 5 9 O 0.11146585510362 0.41566023836686 0.07403957398302 15.999 > 9 10 O 0.61146585510362 0.41566023836686 0.07403957398302 15.999 > 9 11 O 0.11146585510362 0.91566023836686 0.07403957398302 15.999 > 9 12 O 0.61146585510362 0.91566023836686 0.07403957398302 15.999 > 9 13 O 0.38853414489638 0.16566023836686 0.42596042601698 15.999 > 13 14 O 0.88853414489638 0.16566023836686 0.42596042601698 15.999 > 13 15 O 0.38853414489638 0.66566023836686 0.42596042601698 15.999 > 13 16 O 0.88853414489638 0.66566023836686 0.42596042601698 15.999 > 13 17 O 0.32376656017752 0.08350342551646 0.13730958664196 15.999 > 17 18 O 0.82376656017752 0.08350342551646 0.13730958664196 15.999 > 17 19 O 0.32376656017752 0.58350342551646 0.13730958664196 15.999 > 17 20 O 0.82376656017752 0.58350342551646 0.13730958664196 15.999 > 17 21 O 0.17623343982248 0.33350342551646 0.36269041335805 15.999 > 21 22 O 0.67623343982248 0.33350342551646 0.36269041335805 15.999 > 21 23 O 0.17623343982248 0.83350342551646 0.36269041335805 15.999 > 21 24 O 0.67623343982248 0.83350342551646 0.36269041335805 15.999 > 21 25 O 0.17623343982248 0.41649657448354 0.86269041335804 15.999 > 25 26 O 0.67623343982248 0.41649657448354 0.86269041335804 15.999 > 25 27 O 0.17623343982248 0.91649657448354 0.86269041335804 15.999 > 25 28 O 0.67623343982248 0.91649657448354 0.86269041335804 15.999 > 25 29 O 0.32376656017752 0.16649657448354 0.63730958664196 15.999 > 29 30 O 0.82376656017752 0.16649657448354 0.63730958664196 15.999 > 29 31 O 0.32376656017752 0.66649657448354 0.63730958664196 15.999 > 29 32 O 0.82376656017752 0.66649657448354 0.63730958664196 15.999 > 29 33 O 0.08713758650353 0.12560815062684 0.19532226186620 15.999 > 33 34 O 0.58713758650353 0.12560815062684 0.19532226186620 15.999 > 33 35 O 0.08713758650353 0.62560815062684 0.19532226186620 15.999 > 33 36 O 0.58713758650353 0.62560815062684 0.19532226186620 15.999 > 33 37 O 0.41286241349647 0.37560815062684 0.30467773813380 15.999 > 37 38 O 0.91286241349647 0.37560815062684 0.30467773813380 15.999 > 37 39 O 0.41286241349647 0.87560815062684 0.30467773813380 15.999 > 37 40 O 0.91286241349647 0.87560815062684 0.30467773813380 15.999 > 37 41 O 0.41286241349647 0.37439184937316 0.80467773813380 15.999 > 41 42 O 0.91286241349647 0.37439184937316 0.80467773813380 15.999 > 41 43 O 0.41286241349647 0.87439184937316 0.80467773813380 15.999 > 41 44 O 0.91286241349647 0.87439184937316 0.80467773813380 15.999 > 41 45 O 0.08713758650353 0.12439184937316 0.69532226186620 15.999 > 45 46 O 0.58713758650353 0.12439184937316 0.69532226186620 15.999 > 45 47 O 0.08713758650353 0.62439184937316 0.69532226186620 15.999 > 45 48 O 0.58713758650353 0.62439184937316 0.69532226186620 15.999 > 45 49 O 0.38702191843397 0.49195958296278 0.55707437653269 15.999 > 49 50 O 0.88702191843397 0.49195958296278 0.55707437653269 15.999 > 49 51 O 0.38702191843397 0.99195958296278 0.55707437653269 15.999 > 49 52 O 0.88702191843397 0.99195958296278 0.55707437653269 15.999 > 49 53 O 0.11297808156603 0.24195958296278 0.94292562346731 15.999 > 53 54 O 0.61297808156603 0.24195958296278 0.94292562346731 15.999 > 53 55 O 0.11297808156603 0.74195958296278 0.94292562346731 15.999 > 53 56 O 0.61297808156603 0.74195958296278 0.94292562346731 15.999 > 53 57 O 0.11297808156603 0.00804041703722 0.44292562346731 15.999 > 57 58 O 0.61297808156603 0.00804041703722 0.44292562346731 15.999 > 57 59 O 0.11297808156603 0.50804041703722 0.44292562346731 15.999 > 57 60 O 0.61297808156603 0.50804041703722 0.44292562346731 15.999 > 57 61 O 0.38702191843397 0.25804041703722 0.05707437653269 15.999 > 61 62 O 0.88702191843397 0.25804041703722 0.05707437653269 15.999 > 61 63 O 0.38702191843397 0.75804041703722 0.05707437653269 15.999 > 61 64 O 0.88702191843397 0.75804041703722 0.05707437653269 15.999 > 61 65 Si 0.42505496925216 0.14098518506969 0.08170595638625 28.085 > 65 66 Si 0.92505496925216 0.14098518506969 0.08170595638625 28.085 > 65 67 Si 0.42505496925216 0.64098518506969 0.08170595638625 28.085 > 65 68 Si 0.92505496925216 0.64098518506969 0.08170595638625 28.085 > 65 69 Si 0.07494503074784 0.39098518506969 0.41829404361375 28.085 > 69 70 Si 0.57494503074784 0.39098518506969 0.41829404361375 28.085 > 69 71 Si 0.07494503074784 0.89098518506969 0.41829404361375 28.085 > 69 72 Si 0.57494503074784 0.89098518506969 0.41829404361375 28.085 > 69 73 Si 0.07494503074784 0.35901481493031 0.91829404361375 28.085 > 73 74 Si 0.57494503074784 0.35901481493031 0.91829404361375 28.085 > 73 75 Si 0.07494503074784 0.85901481493031 0.91829404361375 28.085 > 73 76 Si 0.57494503074784 0.85901481493031 0.91829404361375 28.085 > 73 77 Si 0.42505496925216 0.10901481493031 0.58170595638625 28.085 > 77 78 Si 0.92505496925216 0.10901481493031 0.58170595638625 28.085 > 77 79 Si 0.42505496925216 0.60901481493031 0.58170595638625 28.085 > 77 80 Si 0.92505496925216 0.60901481493031 0.58170595638625 28.085 > 77 81 Ca 0.25798457871383 0.24888454094203 0.79815488170724 40.078 > 81 82 Ca 0.75798457871383 0.24888454094203 0.79815488170724 40.078 > 81 83 Ca 0.25798457871383 0.74888454094203 0.79815488170724 40.078 > 81 84 Ca 0.75798457871383 0.74888454094203 0.79815488170724 40.078 > 81 85 Ca 0.24201542128617 0.49888454094203 0.70184511829276 40.078 > 85 86 Ca 0.74201542128617 0.49888454094203 0.70184511829276 40.078 > 85 87 Ca 0.24201542128617 0.99888454094203 0.70184511829276 40.078 > 85 88 Ca 0.74201542128617 0.99888454094203 0.70184511829276 40.078 > 85 89 Ca 0.24201542128617 0.25111545905797 0.20184511829276 40.078 > 89 90 Ca 0.74201542128617 0.25111545905797 0.20184511829276 40.078 > 89 91 Ca 0.24201542128617 0.75111545905797 0.20184511829276 40.078 > 89 92 Ca 0.74201542128617 0.75111545905797 0.20184511829276 40.078 > 89 93 Ca 0.25798457871383 0.00111545905797 0.29815488170724 40.078 > 93 94 Ca 0.75798457871383 0.00111545905797 0.29815488170724 40.078 > 93 95 Ca 0.25798457871383 0.50111545905797 0.29815488170724 40.078 > 93 96 Ca 0.75798457871383 0.50111545905797 0.29815488170724 40.078 > 93 97 Ca 0.39681652401597 0.42216178047926 0.06807831292045 40.078 > 97 98 Ca 0.89681652401597 0.42216178047926 0.06807831292045 40.078 > 97 99 Ca 0.39681652401597 0.92216178047926 0.06807831292045 40.078 > 97 100 Ca 0.89681652401597 0.92216178047926 0.06807831292045 40.078 > 97 101 Ca 0.10318347598403 0.17216178047926 0.43192168707955 40.078 > 101 102 Ca 0.60318347598403 0.17216178047926 0.43192168707955 40.078 > 101 103 Ca 0.10318347598403 0.67216178047926 0.43192168707955 40.078 > 101 104 Ca 0.60318347598403 0.67216178047926 0.43192168707955 40.078 > 101 105 Ca 0.10318347598403 0.07783821952074 0.93192168707955 40.078 > 105 106 Ca 0.60318347598403 0.07783821952074 0.93192168707955 40.078 > 105 107 Ca 0.10318347598403 0.57783821952074 0.93192168707955 40.078 > 105 108 Ca 0.60318347598403 0.57783821952074 0.93192168707955 40.078 > 105 109 Ca 0.39681652401597 0.32783821952074 0.56807831292045 40.078 > 109 110 Ca 0.89681652401597 0.32783821952074 0.56807831292045 40.078 > 109 111 Ca 0.39681652401597 0.82783821952074 0.56807831292045 40.078 > 109 112 Ca 0.89681652401597 0.82783821952074 0.56807831292045 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3495216 0.0000000 0.0044427 0.0000000 3.4142391 0.0000000 0.0044417 0.0000000 3.3028157 -------------------------- Born effective charges -------------------------- 1 O -1.8283123 0.0898491 0.1091211 0.0822436 -1.8569161 -0.3101951 0.0399131 -0.2973781 -2.2097794 2 O -1.8283123 -0.0898491 0.1091211 -0.0822436 -1.8569161 0.3101951 0.0399131 0.2973781 -2.2097794 3 O -1.8283123 0.0898491 0.1091211 0.0822436 -1.8569161 -0.3101951 0.0399131 -0.2973781 -2.2097794 4 O -1.8283123 -0.0898491 0.1091211 -0.0822436 -1.8569161 0.3101951 0.0399131 0.2973781 -2.2097794 5 O -2.2741405 -0.2810579 0.2107369 -0.2650577 -1.9209006 0.1121833 0.2632817 0.1305335 -1.6864990 6 O -2.2741405 0.2810579 0.2107369 0.2650577 -1.9209006 -0.1121833 0.2632817 -0.1305335 -1.6864990 7 O -2.2741405 -0.2810579 0.2107369 -0.2650577 -1.9209006 0.1121833 0.2632817 0.1305335 -1.6864990 8 O -2.2741405 0.2810579 0.2107369 0.2650577 -1.9209006 -0.1121833 0.2632817 -0.1305335 -1.6864990 9 O -2.1857393 0.0862764 -0.3859854 0.0488981 -1.6583035 0.0920557 -0.4505404 0.0291858 -2.0532061 10 O -2.1857393 -0.0862764 -0.3859854 -0.0488981 -1.6583035 -0.0920557 -0.4505404 -0.0291858 -2.0532061 11 O -2.1857393 0.0862764 -0.3859854 0.0488981 -1.6583035 0.0920557 -0.4505404 0.0291858 -2.0532061 12 O -2.1857393 -0.0862764 -0.3859854 -0.0488981 -1.6583035 -0.0920557 -0.4505404 -0.0291858 -2.0532061 13 O -1.5532625 -0.1425743 0.0343044 -0.1292324 -2.6441241 -0.1279778 0.0374498 -0.1259132 -1.6324910 14 O -1.5532625 0.1425743 0.0343044 0.1292324 -2.6441241 0.1279778 0.0374498 0.1259132 -1.6324910 15 O -1.5532625 -0.1425743 0.0343044 -0.1292324 -2.6441241 -0.1279778 0.0374498 -0.1259132 -1.6324910 16 O -1.5532625 0.1425743 0.0343044 0.1292324 -2.6441241 0.1279778 0.0374498 0.1259132 -1.6324910 17 Si 3.0134532 0.0614465 0.0725060 0.0432156 2.9724779 0.0069691 0.1130409 -0.0233962 2.6931809 18 Si 3.0134532 -0.0614465 0.0725060 -0.0432156 2.9724779 -0.0069691 0.1130409 0.0233962 2.6931809 19 Si 3.0134532 0.0614465 0.0725060 0.0432156 2.9724779 0.0069691 0.1130409 -0.0233962 2.6931809 20 Si 3.0134532 -0.0614465 0.0725060 -0.0432156 2.9724779 -0.0069691 0.1130409 0.0233962 2.6931809 21 Ca 2.4245523 0.0352575 -0.0701485 -0.0349545 2.3751552 0.0411176 0.0048567 0.1041910 2.6331544 22 Ca 2.4245523 -0.0352575 -0.0701485 0.0349545 2.3751552 -0.0411176 0.0048567 -0.1041910 2.6331544 23 Ca 2.4245523 0.0352575 -0.0701485 -0.0349545 2.3751552 0.0411176 0.0048567 0.1041910 2.6331544 24 Ca 2.4245523 -0.0352575 -0.0701485 0.0349545 2.3751552 -0.0411176 0.0048567 -0.1041910 2.6331544 25 Ca 2.4034491 -0.0588481 0.0294654 -0.0312863 2.7326113 -0.0206294 -0.0080020 -0.0585136 2.2556402 26 Ca 2.4034491 0.0588481 0.0294654 0.0312863 2.7326113 0.0206294 -0.0080020 0.0585136 2.2556402 27 Ca 2.4034491 -0.0588481 0.0294654 -0.0312863 2.7326113 -0.0206294 -0.0080020 -0.0585136 2.2556402 28 Ca 2.4034491 0.0588481 0.0294654 0.0312863 2.7326113 0.0206294 -0.0080020 0.0585136 2.2556402 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:05:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:05:37]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.489470891554028 0.000000000000000 0.000000000000000 b 0.000000000000000 6.718627130000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): 1 O 0.77706828979276 0.16867952326627 0.92596042601698 15.999 2 O 0.22293171020724 0.66867952326627 0.57403957398302 15.999 3 O 0.22293171020724 0.83132047673373 0.07403957398302 15.999 4 O 0.77706828979276 0.33132047673373 0.42596042601698 15.999 5 O 0.64753312035504 0.16700685103291 0.13730958664196 15.999 6 O 0.35246687964496 0.66700685103291 0.36269041335805 15.999 7 O 0.35246687964496 0.83299314896709 0.86269041335804 15.999 8 O 0.64753312035504 0.33299314896709 0.63730958664196 15.999 9 O 0.17427517300706 0.25121630125367 0.19532226186620 15.999 10 O 0.82572482699294 0.75121630125367 0.30467773813380 15.999 11 O 0.82572482699294 0.74878369874633 0.80467773813380 15.999 12 O 0.17427517300706 0.24878369874633 0.69532226186620 15.999 13 O 0.77404383686793 0.98391916592556 0.55707437653269 15.999 14 O 0.22595616313207 0.48391916592556 0.94292562346731 15.999 15 O 0.22595616313207 0.01608083407444 0.44292562346731 15.999 16 O 0.77404383686793 0.51608083407444 0.05707437653269 15.999 17 Si 0.85010993850431 0.28197037013938 0.08170595638625 28.085 18 Si 0.14989006149569 0.78197037013938 0.41829404361375 28.085 19 Si 0.14989006149569 0.71802962986062 0.91829404361375 28.085 20 Si 0.85010993850431 0.21802962986062 0.58170595638625 28.085 21 Ca 0.51596915742767 0.49776908188406 0.79815488170724 40.078 22 Ca 0.48403084257233 0.99776908188406 0.70184511829276 40.078 23 Ca 0.48403084257233 0.50223091811594 0.20184511829276 40.078 24 Ca 0.51596915742767 0.00223091811594 0.29815488170724 40.078 25 Ca 0.79363304803193 0.84432356095851 0.06807831292045 40.078 26 Ca 0.20636695196807 0.34432356095851 0.43192168707955 40.078 27 Ca 0.20636695196807 0.15567643904149 0.93192168707955 40.078 28 Ca 0.79363304803193 0.65567643904149 0.56807831292045 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.978941783108056 0.000000000000000 0.000000000000000 b 0.000000000000000 13.437254260000000 0.000000000000000 c -4.676457145738729 0.000000000000000 9.212812537236262 Atomic positions (fractional): 1 O 0.38853414489638 0.08433976163314 0.92596042601698 15.999 > 1 2 O 0.88853414489638 0.08433976163314 0.92596042601698 15.999 > 1 3 O 0.38853414489638 0.58433976163314 0.92596042601698 15.999 > 1 4 O 0.88853414489638 0.58433976163314 0.92596042601698 15.999 > 1 5 O 0.11146585510362 0.33433976163314 0.57403957398302 15.999 > 5 6 O 0.61146585510362 0.33433976163314 0.57403957398302 15.999 > 5 7 O 0.11146585510362 0.83433976163314 0.57403957398302 15.999 > 5 8 O 0.61146585510362 0.83433976163314 0.57403957398302 15.999 > 5 9 O 0.11146585510362 0.41566023836686 0.07403957398302 15.999 > 9 10 O 0.61146585510362 0.41566023836686 0.07403957398302 15.999 > 9 11 O 0.11146585510362 0.91566023836686 0.07403957398302 15.999 > 9 12 O 0.61146585510362 0.91566023836686 0.07403957398302 15.999 > 9 13 O 0.38853414489638 0.16566023836686 0.42596042601698 15.999 > 13 14 O 0.88853414489638 0.16566023836686 0.42596042601698 15.999 > 13 15 O 0.38853414489638 0.66566023836686 0.42596042601698 15.999 > 13 16 O 0.88853414489638 0.66566023836686 0.42596042601698 15.999 > 13 17 O 0.32376656017752 0.08350342551646 0.13730958664196 15.999 > 17 18 O 0.82376656017752 0.08350342551646 0.13730958664196 15.999 > 17 19 O 0.32376656017752 0.58350342551646 0.13730958664196 15.999 > 17 20 O 0.82376656017752 0.58350342551646 0.13730958664196 15.999 > 17 21 O 0.17623343982248 0.33350342551646 0.36269041335805 15.999 > 21 22 O 0.67623343982248 0.33350342551646 0.36269041335805 15.999 > 21 23 O 0.17623343982248 0.83350342551646 0.36269041335805 15.999 > 21 24 O 0.67623343982248 0.83350342551646 0.36269041335805 15.999 > 21 25 O 0.17623343982248 0.41649657448354 0.86269041335804 15.999 > 25 26 O 0.67623343982248 0.41649657448354 0.86269041335804 15.999 > 25 27 O 0.17623343982248 0.91649657448354 0.86269041335804 15.999 > 25 28 O 0.67623343982248 0.91649657448354 0.86269041335804 15.999 > 25 29 O 0.32376656017752 0.16649657448354 0.63730958664196 15.999 > 29 30 O 0.82376656017752 0.16649657448354 0.63730958664196 15.999 > 29 31 O 0.32376656017752 0.66649657448354 0.63730958664196 15.999 > 29 32 O 0.82376656017752 0.66649657448354 0.63730958664196 15.999 > 29 33 O 0.08713758650353 0.12560815062684 0.19532226186620 15.999 > 33 34 O 0.58713758650353 0.12560815062684 0.19532226186620 15.999 > 33 35 O 0.08713758650353 0.62560815062684 0.19532226186620 15.999 > 33 36 O 0.58713758650353 0.62560815062684 0.19532226186620 15.999 > 33 37 O 0.41286241349647 0.37560815062684 0.30467773813380 15.999 > 37 38 O 0.91286241349647 0.37560815062684 0.30467773813380 15.999 > 37 39 O 0.41286241349647 0.87560815062684 0.30467773813380 15.999 > 37 40 O 0.91286241349647 0.87560815062684 0.30467773813380 15.999 > 37 41 O 0.41286241349647 0.37439184937316 0.80467773813380 15.999 > 41 42 O 0.91286241349647 0.37439184937316 0.80467773813380 15.999 > 41 43 O 0.41286241349647 0.87439184937316 0.80467773813380 15.999 > 41 44 O 0.91286241349647 0.87439184937316 0.80467773813380 15.999 > 41 45 O 0.08713758650353 0.12439184937316 0.69532226186620 15.999 > 45 46 O 0.58713758650353 0.12439184937316 0.69532226186620 15.999 > 45 47 O 0.08713758650353 0.62439184937316 0.69532226186620 15.999 > 45 48 O 0.58713758650353 0.62439184937316 0.69532226186620 15.999 > 45 49 O 0.38702191843397 0.49195958296278 0.55707437653269 15.999 > 49 50 O 0.88702191843397 0.49195958296278 0.55707437653269 15.999 > 49 51 O 0.38702191843397 0.99195958296278 0.55707437653269 15.999 > 49 52 O 0.88702191843397 0.99195958296278 0.55707437653269 15.999 > 49 53 O 0.11297808156603 0.24195958296278 0.94292562346731 15.999 > 53 54 O 0.61297808156603 0.24195958296278 0.94292562346731 15.999 > 53 55 O 0.11297808156603 0.74195958296278 0.94292562346731 15.999 > 53 56 O 0.61297808156603 0.74195958296278 0.94292562346731 15.999 > 53 57 O 0.11297808156603 0.00804041703722 0.44292562346731 15.999 > 57 58 O 0.61297808156603 0.00804041703722 0.44292562346731 15.999 > 57 59 O 0.11297808156603 0.50804041703722 0.44292562346731 15.999 > 57 60 O 0.61297808156603 0.50804041703722 0.44292562346731 15.999 > 57 61 O 0.38702191843397 0.25804041703722 0.05707437653269 15.999 > 61 62 O 0.88702191843397 0.25804041703722 0.05707437653269 15.999 > 61 63 O 0.38702191843397 0.75804041703722 0.05707437653269 15.999 > 61 64 O 0.88702191843397 0.75804041703722 0.05707437653269 15.999 > 61 65 Si 0.42505496925216 0.14098518506969 0.08170595638625 28.085 > 65 66 Si 0.92505496925216 0.14098518506969 0.08170595638625 28.085 > 65 67 Si 0.42505496925216 0.64098518506969 0.08170595638625 28.085 > 65 68 Si 0.92505496925216 0.64098518506969 0.08170595638625 28.085 > 65 69 Si 0.07494503074784 0.39098518506969 0.41829404361375 28.085 > 69 70 Si 0.57494503074784 0.39098518506969 0.41829404361375 28.085 > 69 71 Si 0.07494503074784 0.89098518506969 0.41829404361375 28.085 > 69 72 Si 0.57494503074784 0.89098518506969 0.41829404361375 28.085 > 69 73 Si 0.07494503074784 0.35901481493031 0.91829404361375 28.085 > 73 74 Si 0.57494503074784 0.35901481493031 0.91829404361375 28.085 > 73 75 Si 0.07494503074784 0.85901481493031 0.91829404361375 28.085 > 73 76 Si 0.57494503074784 0.85901481493031 0.91829404361375 28.085 > 73 77 Si 0.42505496925216 0.10901481493031 0.58170595638625 28.085 > 77 78 Si 0.92505496925216 0.10901481493031 0.58170595638625 28.085 > 77 79 Si 0.42505496925216 0.60901481493031 0.58170595638625 28.085 > 77 80 Si 0.92505496925216 0.60901481493031 0.58170595638625 28.085 > 77 81 Ca 0.25798457871383 0.24888454094203 0.79815488170724 40.078 > 81 82 Ca 0.75798457871383 0.24888454094203 0.79815488170724 40.078 > 81 83 Ca 0.25798457871383 0.74888454094203 0.79815488170724 40.078 > 81 84 Ca 0.75798457871383 0.74888454094203 0.79815488170724 40.078 > 81 85 Ca 0.24201542128617 0.49888454094203 0.70184511829276 40.078 > 85 86 Ca 0.74201542128617 0.49888454094203 0.70184511829276 40.078 > 85 87 Ca 0.24201542128617 0.99888454094203 0.70184511829276 40.078 > 85 88 Ca 0.74201542128617 0.99888454094203 0.70184511829276 40.078 > 85 89 Ca 0.24201542128617 0.25111545905797 0.20184511829276 40.078 > 89 90 Ca 0.74201542128617 0.25111545905797 0.20184511829276 40.078 > 89 91 Ca 0.24201542128617 0.75111545905797 0.20184511829276 40.078 > 89 92 Ca 0.74201542128617 0.75111545905797 0.20184511829276 40.078 > 89 93 Ca 0.25798457871383 0.00111545905797 0.29815488170724 40.078 > 93 94 Ca 0.75798457871383 0.00111545905797 0.29815488170724 40.078 > 93 95 Ca 0.25798457871383 0.50111545905797 0.29815488170724 40.078 > 93 96 Ca 0.75798457871383 0.50111545905797 0.29815488170724 40.078 > 93 97 Ca 0.39681652401597 0.42216178047926 0.06807831292045 40.078 > 97 98 Ca 0.89681652401597 0.42216178047926 0.06807831292045 40.078 > 97 99 Ca 0.39681652401597 0.92216178047926 0.06807831292045 40.078 > 97 100 Ca 0.89681652401597 0.92216178047926 0.06807831292045 40.078 > 97 101 Ca 0.10318347598403 0.17216178047926 0.43192168707955 40.078 > 101 102 Ca 0.60318347598403 0.17216178047926 0.43192168707955 40.078 > 101 103 Ca 0.10318347598403 0.67216178047926 0.43192168707955 40.078 > 101 104 Ca 0.60318347598403 0.67216178047926 0.43192168707955 40.078 > 101 105 Ca 0.10318347598403 0.07783821952074 0.93192168707955 40.078 > 105 106 Ca 0.60318347598403 0.07783821952074 0.93192168707955 40.078 > 105 107 Ca 0.10318347598403 0.57783821952074 0.93192168707955 40.078 > 105 108 Ca 0.60318347598403 0.57783821952074 0.93192168707955 40.078 > 105 109 Ca 0.39681652401597 0.32783821952074 0.56807831292045 40.078 > 109 110 Ca 0.89681652401597 0.32783821952074 0.56807831292045 40.078 > 109 111 Ca 0.39681652401597 0.82783821952074 0.56807831292045 40.078 > 109 112 Ca 0.89681652401597 0.82783821952074 0.56807831292045 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3495216 0.0000000 0.0044427 0.0000000 3.4142391 0.0000000 0.0044417 0.0000000 3.3028157 -------------------------- Born effective charges -------------------------- 1 O -1.8283123 0.0898491 0.1091211 0.0822436 -1.8569161 -0.3101951 0.0399131 -0.2973781 -2.2097794 2 O -1.8283123 -0.0898491 0.1091211 -0.0822436 -1.8569161 0.3101951 0.0399131 0.2973781 -2.2097794 3 O -1.8283123 0.0898491 0.1091211 0.0822436 -1.8569161 -0.3101951 0.0399131 -0.2973781 -2.2097794 4 O -1.8283123 -0.0898491 0.1091211 -0.0822436 -1.8569161 0.3101951 0.0399131 0.2973781 -2.2097794 5 O -2.2741405 -0.2810579 0.2107369 -0.2650577 -1.9209006 0.1121833 0.2632817 0.1305335 -1.6864990 6 O -2.2741405 0.2810579 0.2107369 0.2650577 -1.9209006 -0.1121833 0.2632817 -0.1305335 -1.6864990 7 O -2.2741405 -0.2810579 0.2107369 -0.2650577 -1.9209006 0.1121833 0.2632817 0.1305335 -1.6864990 8 O -2.2741405 0.2810579 0.2107369 0.2650577 -1.9209006 -0.1121833 0.2632817 -0.1305335 -1.6864990 9 O -2.1857393 0.0862764 -0.3859854 0.0488981 -1.6583035 0.0920557 -0.4505404 0.0291858 -2.0532061 10 O -2.1857393 -0.0862764 -0.3859854 -0.0488981 -1.6583035 -0.0920557 -0.4505404 -0.0291858 -2.0532061 11 O -2.1857393 0.0862764 -0.3859854 0.0488981 -1.6583035 0.0920557 -0.4505404 0.0291858 -2.0532061 12 O -2.1857393 -0.0862764 -0.3859854 -0.0488981 -1.6583035 -0.0920557 -0.4505404 -0.0291858 -2.0532061 13 O -1.5532625 -0.1425743 0.0343044 -0.1292324 -2.6441241 -0.1279778 0.0374498 -0.1259132 -1.6324910 14 O -1.5532625 0.1425743 0.0343044 0.1292324 -2.6441241 0.1279778 0.0374498 0.1259132 -1.6324910 15 O -1.5532625 -0.1425743 0.0343044 -0.1292324 -2.6441241 -0.1279778 0.0374498 -0.1259132 -1.6324910 16 O -1.5532625 0.1425743 0.0343044 0.1292324 -2.6441241 0.1279778 0.0374498 0.1259132 -1.6324910 17 Si 3.0134532 0.0614465 0.0725060 0.0432156 2.9724779 0.0069691 0.1130409 -0.0233962 2.6931809 18 Si 3.0134532 -0.0614465 0.0725060 -0.0432156 2.9724779 -0.0069691 0.1130409 0.0233962 2.6931809 19 Si 3.0134532 0.0614465 0.0725060 0.0432156 2.9724779 0.0069691 0.1130409 -0.0233962 2.6931809 20 Si 3.0134532 -0.0614465 0.0725060 -0.0432156 2.9724779 -0.0069691 0.1130409 0.0233962 2.6931809 21 Ca 2.4245523 0.0352575 -0.0701485 -0.0349545 2.3751552 0.0411176 0.0048567 0.1041910 2.6331544 22 Ca 2.4245523 -0.0352575 -0.0701485 0.0349545 2.3751552 -0.0411176 0.0048567 -0.1041910 2.6331544 23 Ca 2.4245523 0.0352575 -0.0701485 -0.0349545 2.3751552 0.0411176 0.0048567 0.1041910 2.6331544 24 Ca 2.4245523 -0.0352575 -0.0701485 0.0349545 2.3751552 -0.0411176 0.0048567 -0.1041910 2.6331544 25 Ca 2.4034491 -0.0588481 0.0294654 -0.0312863 2.7326113 -0.0206294 -0.0080020 -0.0585136 2.2556402 26 Ca 2.4034491 0.0588481 0.0294654 0.0312863 2.7326113 0.0206294 -0.0080020 0.0585136 2.2556402 27 Ca 2.4034491 -0.0588481 0.0294654 -0.0312863 2.7326113 -0.0206294 -0.0080020 -0.0585136 2.2556402 28 Ca 2.4034491 0.0588481 0.0294654 0.0312863 2.7326113 0.0206294 -0.0080020 0.0585136 2.2556402 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 11.305 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 12.160 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 14.647 ( 0.000 0.000 0.000) 0.000 14.807 ( 0.000 0.000 0.000) 0.000 14.897 ( 0.000 0.000 0.000) 0.000 15.253 ( 0.000 0.000 0.000) 0.000 15.266 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 0.000) 0.000 15.497 ( 0.000 0.000 0.000) 0.000 15.833 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 24.616 ( 0.000 0.000 0.000) 0.000 24.705 ( 0.000 0.000 0.000) 0.000 24.929 ( 0.000 0.000 0.000) 0.000 25.007 ( 0.000 0.000 0.000) 0.000 25.265 ( 0.000 0.000 0.000) 0.000 25.522 ( 0.000 0.000 0.000) 0.000 25.806 ( 0.000 0.000 0.000) 0.000 26.420 ( 0.000 0.000 0.000) 0.000 26.441 ( 0.000 0.000 0.000) 0.000 26.887 ( 0.000 0.000 0.000) 0.000 27.839 ( 0.000 0.000 0.000) 0.000 28.588 ( 0.000 0.000 0.000) 0.000 28.610 ( 0.000 0.000 0.000) 0.000 29.057 ( 0.000 0.000 0.000) 0.000 29.096 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 28.249 0.000 26.191) 38.522 0.801 ( 35.591 0.000 14.860) 38.568 1.447 ( 60.667 0.000 29.898) 67.634 2.968 ( 16.051 0.000 -15.403) 22.246 3.137 ( -1.050 0.000 -14.539) 14.576 3.224 ( -3.729 0.000 17.086) 17.488 3.657 ( 2.600 0.000 5.965) 6.507 3.713 ( 13.216 0.000 10.162) 16.671 4.027 ( -3.700 0.000 -0.214) 3.706 4.240 ( -3.691 0.000 -1.031) 3.832 4.475 ( 1.688 0.000 1.426) 2.210 4.567 ( -2.721 0.000 0.181) 2.727 4.588 ( 0.848 0.000 2.667) 2.798 4.876 ( 0.573 0.000 -0.177) 0.600 4.898 ( -2.476 0.000 -13.657) 13.879 4.980 ( 2.924 0.000 4.412) 5.293 5.005 ( 6.732 0.000 -2.994) 7.368 5.200 ( 4.677 0.000 -1.842) 5.027 5.312 ( -11.580 0.000 -0.961) 11.620 5.526 ( 1.762 0.000 2.769) 3.282 5.675 ( -16.298 0.000 0.083) 16.298 5.789 ( -9.835 0.000 8.167) 12.784 5.873 ( 0.724 0.000 1.511) 1.676 6.049 ( 2.728 0.000 -11.757) 12.069 6.280 ( -5.187 0.000 -9.637) 10.945 6.318 ( 6.218 0.000 8.682) 10.679 6.574 ( 2.890 0.000 -6.301) 6.932 6.704 ( 0.050 0.000 -4.495) 4.496 6.933 ( 0.001 0.000 -4.752) 4.752 7.103 ( 4.717 0.000 2.093) 5.161 7.148 ( -3.018 0.000 -2.106) 3.680 7.265 ( 0.451 0.000 -4.048) 4.073 7.478 ( -8.832 0.000 -14.179) 16.705 7.548 ( -0.149 0.000 -13.048) 13.049 7.583 ( 0.371 0.000 -6.610) 6.621 7.833 ( 8.002 0.000 -6.554) 10.343 7.879 ( -3.458 0.000 3.526) 4.939 7.943 ( -3.669 0.000 1.074) 3.823 8.062 ( 2.008 0.000 3.926) 4.410 8.206 ( 2.559 0.000 6.443) 6.933 8.378 ( 4.697 0.000 -1.167) 4.840 8.456 ( 3.651 0.000 -0.183) 3.656 8.671 ( 0.179 0.000 1.172) 1.186 8.885 ( 8.535 0.000 12.782) 15.370 8.919 ( -2.104 0.000 0.426) 2.147 9.183 ( -3.847 0.000 5.363) 6.600 9.229 ( 4.716 0.000 1.190) 4.864 10.424 ( -11.987 0.000 10.612) 16.010 10.706 ( 2.106 0.000 5.030) 5.454 10.887 ( -5.728 0.000 1.577) 5.941 11.277 ( -9.491 0.000 -2.585) 9.837 11.298 ( 0.067 0.000 -3.165) 3.166 11.789 ( -9.593 0.000 3.857) 10.339 12.002 ( -11.498 0.000 -5.636) 12.805 12.246 ( 4.756 0.000 -0.737) 4.812 12.697 ( 6.909 0.000 1.876) 7.159 14.054 ( -0.339 0.000 -12.921) 12.925 14.230 ( 3.550 0.000 1.859) 4.008 14.673 ( 5.798 0.000 3.816) 6.941 14.800 ( -1.414 0.000 2.245) 2.653 14.979 ( 9.312 0.000 -2.219) 9.573 15.225 ( -3.325 0.000 1.367) 3.595 15.273 ( 2.549 0.000 -2.033) 3.261 15.384 ( 3.642 0.000 -3.059) 4.756 15.476 ( -2.053 0.000 -0.571) 2.131 15.588 ( 1.359 0.000 2.836) 3.145 15.869 ( -0.148 0.000 6.971) 6.972 16.103 ( -1.467 0.000 0.194) 1.480 24.572 ( -0.671 0.000 -0.030) 0.672 24.601 ( -0.845 0.000 -1.251) 1.510 24.707 ( 0.504 0.000 -0.595) 0.780 24.922 ( -1.202 0.000 0.588) 1.338 24.979 ( -2.905 0.000 0.683) 2.984 25.356 ( 12.152 0.000 -16.259) 20.299 25.535 ( 1.525 0.000 -0.063) 1.526 25.894 ( 6.708 0.000 4.674) 8.176 26.461 ( 3.694 0.000 1.283) 3.910 26.834 ( -4.545 0.000 -1.969) 4.953 27.820 ( 0.030 0.000 -3.808) 3.808 28.339 ( -1.757 0.000 2.089) 2.730 28.574 ( -1.424 0.000 0.042) 1.424 28.608 ( -0.850 0.000 1.222) 1.488 29.032 ( -1.513 0.000 -2.239) 2.703 29.840 ( -5.480 0.000 8.768) 10.339 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 24.712 0.000 23.843) 34.339 1.555 ( 32.675 0.000 12.552) 35.003 2.653 ( 40.449 0.000 19.092) 44.728 3.100 ( 11.432 0.000 -7.301) 13.564 3.125 ( -16.053 0.000 4.237) 16.603 3.250 ( 23.198 0.000 -7.728) 24.451 3.772 ( -1.713 0.000 10.486) 10.625 3.888 ( -5.165 0.000 -3.520) 6.250 4.057 ( 10.192 0.000 7.122) 12.433 4.150 ( -6.011 0.000 4.090) 7.271 4.373 ( -7.183 0.000 -3.378) 7.938 4.646 ( 1.629 0.000 3.940) 4.263 4.670 ( 5.123 0.000 6.674) 8.413 4.757 ( -3.916 0.000 3.965) 5.573 4.760 ( -6.694 0.000 -10.829) 12.731 4.985 ( -14.077 0.000 -6.037) 15.317 5.051 ( -0.392 0.000 -6.269) 6.281 5.251 ( 11.171 0.000 4.672) 12.108 5.274 ( 3.060 0.000 1.318) 3.332 5.299 ( -14.666 0.000 -6.719) 16.132 5.605 ( 3.856 0.000 0.743) 3.927 5.732 ( -3.478 0.000 9.249) 9.881 5.893 ( 0.151 0.000 -0.996) 1.007 6.035 ( 5.700 0.000 -11.077) 12.457 6.132 ( -2.000 0.000 -8.541) 8.772 6.429 ( -2.575 0.000 7.149) 7.599 6.518 ( 4.673 0.000 -11.802) 12.694 6.755 ( 6.672 0.000 -0.058) 6.673 6.852 ( -3.891 0.000 -4.859) 6.225 7.080 ( -0.887 0.000 -3.623) 3.730 7.094 ( -11.062 0.000 -12.122) 16.410 7.187 ( 6.582 0.000 -5.001) 8.266 7.318 ( 8.697 0.000 -10.487) 13.624 7.536 ( -2.353 0.000 -0.510) 2.408 7.546 ( 6.872 0.000 1.172) 6.972 7.810 ( -1.764 0.000 -3.851) 4.236 7.936 ( -2.925 0.000 6.875) 7.471 7.951 ( 9.632 0.000 -3.742) 10.333 8.122 ( -1.327 0.000 8.627) 8.729 8.226 ( -5.130 0.000 7.438) 9.036 8.496 ( 8.567 0.000 -5.660) 10.268 8.497 ( -0.571 0.000 1.193) 1.322 8.693 ( -0.688 0.000 4.452) 4.505 8.906 ( -0.056 0.000 0.196) 0.204 9.130 ( -3.888 0.000 3.393) 5.161 9.210 ( 6.466 0.000 18.976) 20.047 9.313 ( 6.219 0.000 -5.351) 8.204 10.235 ( -19.217 0.000 7.880) 20.770 10.721 ( -11.634 0.000 -2.573) 11.915 10.790 ( 1.916 0.000 3.445) 3.942 11.048 ( -9.496 0.000 -5.051) 10.756 11.199 ( -6.427 0.000 -6.089) 8.853 11.675 ( -8.182 0.000 8.196) 11.581 11.712 ( -11.935 0.000 -8.584) 14.702 12.376 ( 9.844 0.000 -0.499) 9.857 12.831 ( 6.486 0.000 -0.383) 6.498 13.923 ( -3.361 0.000 -6.540) 7.353 14.308 ( 2.329 0.000 2.635) 3.517 14.798 ( -1.099 0.000 1.839) 2.142 14.828 ( 6.138 0.000 4.264) 7.474 15.097 ( 1.382 0.000 -0.827) 1.610 15.276 ( 10.311 0.000 2.493) 10.608 15.286 ( 2.521 0.000 -5.038) 5.634 15.404 ( 2.354 0.000 -4.955) 5.486 15.425 ( -1.095 0.000 -3.200) 3.382 15.685 ( 4.605 0.000 5.144) 6.905 15.934 ( -0.664 0.000 7.877) 7.905 16.067 ( -2.707 0.000 0.300) 2.724 24.557 ( -0.970 0.000 0.254) 1.003 24.571 ( -0.675 0.000 -1.817) 1.938 24.709 ( 0.258 0.000 -0.813) 0.853 24.891 ( -2.879 0.000 0.630) 2.947 24.931 ( -2.955 0.000 1.269) 3.216 25.436 ( 8.157 0.000 -7.281) 10.934 25.574 ( 2.575 0.000 0.194) 2.583 26.094 ( 7.082 0.000 7.559) 10.359 26.570 ( 6.240 0.000 1.892) 6.520 26.707 ( -5.141 0.000 -3.967) 6.494 27.782 ( 1.157 0.000 -5.914) 6.026 28.317 ( -1.931 0.000 0.342) 1.961 28.542 ( -2.014 0.000 0.180) 2.022 28.607 ( -1.100 0.000 2.796) 3.005 28.968 ( -2.025 0.000 -4.159) 4.626 29.815 ( -3.539 0.000 3.693) 5.115 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 19.938 0.000 19.153) 27.648 2.197 ( 25.805 0.000 8.126) 27.054 2.779 ( -20.589 0.000 -1.964) 20.682 3.063 ( 13.546 0.000 -7.292) 15.384 3.434 ( 2.576 0.000 7.384) 7.821 3.490 ( 4.469 0.000 -7.281) 8.543 3.758 ( -1.402 0.000 -0.391) 1.455 3.823 ( 1.754 0.000 11.519) 11.652 4.129 ( -3.615 0.000 8.500) 9.237 4.175 ( -6.303 0.000 -3.095) 7.022 4.291 ( 7.913 0.000 -1.157) 7.997 4.443 ( -11.593 0.000 -13.617) 17.883 4.644 ( -10.343 0.000 1.366) 10.433 4.743 ( -9.879 0.000 -5.200) 11.163 4.822 ( 5.354 0.000 -1.057) 5.458 4.841 ( 1.644 0.000 4.857) 5.128 4.871 ( 1.813 0.000 16.461) 16.560 5.199 ( 1.828 0.000 -2.451) 3.057 5.308 ( 0.063 0.000 -0.639) 0.642 5.413 ( 3.856 0.000 -4.694) 6.075 5.630 ( 1.385 0.000 -5.025) 5.213 5.834 ( -7.545 0.000 3.787) 8.442 5.856 ( 6.694 0.000 5.565) 8.706 6.004 ( 1.592 0.000 -9.378) 9.512 6.069 ( 4.420 0.000 -10.575) 11.462 6.434 ( 1.586 0.000 3.816) 4.132 6.480 ( -4.486 0.000 -5.244) 6.901 6.782 ( 0.263 0.000 0.590) 0.646 6.938 ( 10.767 0.000 4.560) 11.693 6.963 ( 14.018 0.000 -13.034) 19.141 6.990 ( -3.267 0.000 -6.727) 7.478 7.336 ( 14.059 0.000 -4.353) 14.718 7.474 ( 11.123 0.000 -4.369) 11.950 7.494 ( 0.622 0.000 2.993) 3.057 7.744 ( 9.388 0.000 4.726) 10.511 7.779 ( 3.074 0.000 -5.900) 6.653 7.936 ( -3.782 0.000 6.433) 7.463 8.093 ( 7.943 0.000 -1.657) 8.114 8.178 ( -0.582 0.000 6.935) 6.959 8.204 ( -4.963 0.000 8.315) 9.684 8.462 ( -3.980 0.000 1.533) 4.265 8.532 ( 1.682 0.000 -6.844) 7.048 8.715 ( -2.588 0.000 5.595) 6.164 8.896 ( -1.086 0.000 -0.658) 1.269 9.065 ( -4.607 0.000 3.649) 5.876 9.347 ( 2.987 0.000 -6.270) 6.945 9.459 ( 0.460 0.000 14.586) 14.594 9.851 ( -26.685 0.000 1.610) 26.734 10.468 ( -9.514 0.000 -5.296) 10.889 10.792 ( -7.580 0.000 7.916) 10.960 10.919 ( 0.917 0.000 -6.243) 6.310 11.005 ( -7.553 0.000 -6.040) 9.671 11.448 ( -7.393 0.000 -8.551) 11.304 11.608 ( -7.242 0.000 6.090) 9.462 12.570 ( 10.442 0.000 0.585) 10.458 12.923 ( 4.674 0.000 -1.442) 4.892 13.823 ( -2.773 0.000 -2.918) 4.026 14.368 ( 1.772 0.000 2.952) 3.443 14.786 ( -1.765 0.000 0.748) 1.917 14.948 ( 3.190 0.000 2.314) 3.941 15.094 ( -0.475 0.000 1.422) 1.500 15.286 ( 2.928 0.000 -5.507) 6.237 15.370 ( 0.315 0.000 -7.091) 7.098 15.393 ( 0.272 0.000 -1.067) 1.101 15.540 ( 12.476 0.000 3.813) 13.046 15.819 ( 4.590 0.000 3.905) 6.026 15.985 ( -1.137 0.000 6.692) 6.788 16.013 ( -3.334 0.000 0.238) 3.342 24.543 ( -0.700 0.000 0.251) 0.744 24.551 ( 0.481 0.000 -1.665) 1.733 24.700 ( -0.417 0.000 -0.674) 0.793 24.830 ( -4.234 0.000 0.307) 4.245 24.900 ( -1.727 0.000 1.221) 2.115 25.508 ( 5.197 0.000 -3.736) 6.400 25.626 ( 2.774 0.000 0.150) 2.778 26.196 ( -3.926 0.000 4.739) 6.154 26.650 ( 3.610 0.000 -2.324) 4.294 26.708 ( 6.700 0.000 1.737) 6.921 27.766 ( 2.799 0.000 -4.870) 5.617 28.274 ( -2.636 0.000 -0.409) 2.668 28.511 ( -1.500 0.000 0.305) 1.530 28.624 ( -0.720 0.000 4.541) 4.598 28.889 ( -1.561 0.000 -5.578) 5.792 29.784 ( -2.572 0.000 1.805) 3.143 ======================= Grid point 4 (5/104) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -13.212 0.000 -6.068) 14.539 2.565 ( 14.532 0.000 12.311) 19.046 2.705 ( 10.595 0.000 4.006) 11.327 3.217 ( 1.307 0.000 -9.194) 9.287 3.272 ( -3.724 0.000 -0.224) 3.731 3.378 ( -4.943 0.000 -0.469) 4.965 3.748 ( -4.678 0.000 1.742) 4.992 3.951 ( 0.065 0.000 0.338) 0.344 4.044 ( -5.929 0.000 0.454) 5.946 4.140 ( -18.023 0.000 6.806) 19.266 4.189 ( 11.191 0.000 -6.500) 12.942 4.396 ( 4.362 0.000 -0.590) 4.402 4.546 ( -1.104 0.000 3.945) 4.097 4.557 ( -3.550 0.000 -3.847) 5.234 4.925 ( 3.931 0.000 -0.942) 4.042 4.931 ( 0.507 0.000 6.574) 6.593 5.120 ( 5.085 0.000 4.435) 6.747 5.169 ( 1.510 0.000 5.321) 5.531 5.326 ( 1.069 0.000 1.967) 2.238 5.359 ( -0.051 0.000 -6.910) 6.910 5.551 ( -7.122 0.000 -3.342) 7.867 5.744 ( -4.637 0.000 4.759) 6.645 5.850 ( -7.724 0.000 -5.408) 9.429 5.956 ( 1.818 0.000 -7.497) 7.714 6.067 ( 6.353 0.000 -12.089) 13.656 6.322 ( -7.796 0.000 0.932) 7.852 6.720 ( 18.895 0.000 8.256) 20.620 6.847 ( 0.581 0.000 4.106) 4.147 6.887 ( 1.171 0.000 -3.782) 3.959 7.149 ( 15.126 0.000 -10.956) 18.676 7.247 ( 11.504 0.000 6.710) 13.318 7.511 ( 4.354 0.000 3.905) 5.848 7.568 ( 15.496 0.000 -5.781) 16.539 7.689 ( 7.846 0.000 -2.314) 8.180 7.801 ( 5.880 0.000 -7.022) 9.159 7.921 ( 3.586 0.000 6.470) 7.397 7.924 ( -3.387 0.000 5.258) 6.255 8.180 ( 1.821 0.000 0.415) 1.868 8.212 ( -3.432 0.000 10.715) 11.251 8.228 ( 0.886 0.000 3.201) 3.322 8.394 ( -3.423 0.000 -2.957) 4.523 8.460 ( -0.713 0.000 -8.388) 8.418 8.696 ( -4.772 0.000 7.627) 8.997 8.857 ( -2.271 0.000 -0.840) 2.422 9.033 ( -2.974 0.000 -0.665) 3.047 9.280 ( -6.479 0.000 -3.545) 7.386 9.408 ( -16.764 0.000 -0.642) 16.776 9.462 ( -7.852 0.000 6.606) 10.262 10.362 ( 0.765 0.000 -0.895) 1.177 10.722 ( -6.003 0.000 5.238) 7.967 10.831 ( -5.514 0.000 -4.947) 7.408 10.887 ( 0.201 0.000 -3.723) 3.729 11.305 ( -1.677 0.000 -4.925) 5.203 11.526 ( -5.484 0.000 2.443) 6.003 12.735 ( 6.362 0.000 0.738) 6.404 12.977 ( 2.603 0.000 -1.145) 2.844 13.767 ( -1.467 0.000 -0.911) 1.727 14.434 ( 2.332 0.000 2.724) 3.585 14.751 ( -2.058 0.000 -0.089) 2.060 14.988 ( 0.479 0.000 0.224) 0.529 15.114 ( 0.174 0.000 2.945) 2.950 15.281 ( 0.977 0.000 -3.158) 3.306 15.293 ( -0.947 0.000 -7.048) 7.111 15.424 ( 2.598 0.000 0.493) 2.644 15.761 ( 7.725 0.000 2.960) 8.273 15.900 ( 1.461 0.000 1.315) 1.966 15.954 ( -3.074 0.000 -0.064) 3.074 16.024 ( -0.075 0.000 4.300) 4.300 24.536 ( -0.301 0.000 0.171) 0.346 24.561 ( 1.801 0.000 -0.972) 2.046 24.685 ( -0.574 0.000 -0.367) 0.682 24.751 ( -4.195 0.000 0.032) 4.195 24.889 ( -0.641 0.000 0.686) 0.939 25.554 ( 2.463 0.000 -1.593) 2.933 25.673 ( 2.147 0.000 -0.084) 2.149 26.102 ( -6.224 0.000 0.598) 6.253 26.735 ( 4.465 0.000 0.101) 4.466 26.828 ( 4.477 0.000 1.037) 4.596 27.788 ( 2.634 0.000 -2.087) 3.361 28.223 ( -2.177 0.000 -0.463) 2.226 28.494 ( -0.668 0.000 0.220) 0.703 28.665 ( -0.062 0.000 5.881) 5.881 28.811 ( -0.888 0.000 -6.347) 6.409 29.759 ( -1.401 0.000 0.759) 1.593 ======================= Grid point 5 (6/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 -0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 -0.000) 0.000 4.293 ( -0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.495 ( -0.000 0.000 -0.000) 0.000 4.586 ( 0.000 0.000 -0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 -0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.411 ( -0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 -0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 7.040 ( -0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 -0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 -0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.274 ( -0.000 0.000 -0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 0.000 0.000) 0.000 10.386 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.746 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 12.799 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.750 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.727 ( 0.000 0.000 0.000) 0.000 14.990 ( 0.000 0.000 0.000) 0.000 15.137 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.274 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 0.000) 0.000 15.862 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 24.535 ( 0.000 0.000 0.000) 0.000 24.581 ( 0.000 0.000 0.000) 0.000 24.677 ( 0.000 0.000 0.000) 0.000 24.703 ( 0.000 0.000 0.000) 0.000 24.886 ( 0.000 0.000 0.000) 0.000 25.569 ( 0.000 0.000 0.000) 0.000 25.694 ( 0.000 0.000 0.000) 0.000 26.041 ( 0.000 0.000 0.000) 0.000 26.778 ( 0.000 0.000 0.000) 0.000 26.876 ( 0.000 0.000 0.000) 0.000 27.805 ( 0.000 0.000 0.000) 0.000 28.199 ( 0.000 0.000 0.000) 0.000 28.489 ( 0.000 0.000 0.000) 0.000 28.713 ( 0.000 0.000 0.000) 0.000 28.753 ( 0.000 0.000 0.000) 0.000 29.749 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 37.262 0.000) 37.262 0.894 ( 0.000 41.292 0.000) 41.292 1.691 ( 0.000 76.980 0.000) 76.980 2.991 ( 0.000 2.070 0.000) 2.070 3.111 ( 0.000 2.485 0.000) 2.485 3.406 ( 0.000 -1.837 0.000) 1.837 3.595 ( 0.000 -4.844 0.000) 4.844 3.632 ( 0.000 26.125 0.000) 26.125 4.116 ( 0.000 2.674 0.000) 2.674 4.297 ( 0.000 -8.871 0.000) 8.871 4.444 ( 0.000 0.750 0.000) 0.750 4.621 ( 0.000 6.350 0.000) 6.350 4.717 ( 0.000 5.055 0.000) 5.055 4.763 ( 0.000 -8.268 0.000) 8.268 4.860 ( 0.000 -7.581 0.000) 7.581 4.882 ( 0.000 -5.308 0.000) 5.308 4.976 ( 0.000 1.138 0.000) 1.138 5.264 ( 0.000 10.318 0.000) 10.318 5.418 ( 0.000 -0.247 0.000) 0.247 5.660 ( 0.000 4.382 0.000) 4.382 5.774 ( 0.000 9.835 0.000) 9.835 5.876 ( 0.000 10.251 0.000) 10.251 5.999 ( 0.000 -2.164 0.000) 2.164 6.116 ( 0.000 13.024 0.000) 13.024 6.235 ( 0.000 5.665 0.000) 5.665 6.556 ( 0.000 3.470 0.000) 3.470 6.642 ( 0.000 -2.574 0.000) 2.574 6.756 ( 0.000 6.059 0.000) 6.059 6.862 ( 0.000 10.470 0.000) 10.470 6.984 ( 0.000 0.645 0.000) 0.645 7.244 ( 0.000 -2.680 0.000) 2.680 7.250 ( 0.000 7.788 0.000) 7.788 7.391 ( 0.000 -0.474 0.000) 0.474 7.590 ( 0.000 -2.129 0.000) 2.129 7.677 ( 0.000 -4.667 0.000) 4.667 7.762 ( 0.000 -0.714 0.000) 0.714 7.780 ( 0.000 -1.368 0.000) 1.368 7.962 ( 0.000 -0.085 0.000) 0.085 7.968 ( 0.000 -11.424 0.000) 11.424 8.186 ( 0.000 -3.900 0.000) 3.900 8.314 ( 0.000 -6.180 0.000) 6.180 8.461 ( 0.000 3.118 0.000) 3.118 8.732 ( 0.000 2.684 0.000) 2.684 8.755 ( 0.000 0.566 0.000) 0.566 8.984 ( 0.000 2.298 0.000) 2.298 9.215 ( 0.000 2.216 0.000) 2.216 9.302 ( 0.000 0.382 0.000) 0.382 10.253 ( 0.000 -5.265 0.000) 5.265 10.765 ( 0.000 12.460 0.000) 12.460 10.786 ( 0.000 2.778 0.000) 2.778 11.279 ( 0.000 0.637 0.000) 0.637 11.746 ( 0.000 -11.374 0.000) 11.374 11.992 ( 0.000 -13.798 0.000) 13.798 12.131 ( 0.000 -5.622 0.000) 5.622 12.284 ( 0.000 0.521 0.000) 0.521 12.670 ( 0.000 5.860 0.000) 5.860 14.067 ( 0.000 -1.597 0.000) 1.597 14.230 ( 0.000 0.770 0.000) 0.770 14.592 ( 0.000 0.309 0.000) 0.309 14.666 ( 0.000 1.557 0.000) 1.557 14.848 ( 0.000 -5.070 0.000) 5.070 15.123 ( 0.000 -4.501 0.000) 4.501 15.192 ( 0.000 -5.267 0.000) 5.267 15.237 ( 0.000 -2.017 0.000) 2.017 15.472 ( 0.000 -1.677 0.000) 1.677 15.495 ( 0.000 -9.343 0.000) 9.343 15.905 ( 0.000 2.523 0.000) 2.523 15.993 ( 0.000 -10.552 0.000) 10.552 24.590 ( 0.000 1.135 0.000) 1.135 24.698 ( 0.000 -0.353 0.000) 0.353 24.811 ( 0.000 2.876 0.000) 2.876 24.940 ( 0.000 0.937 0.000) 0.937 25.007 ( 0.000 0.011 0.000) 0.011 25.217 ( 0.000 -3.632 0.000) 3.632 25.582 ( 0.000 4.697 0.000) 4.697 25.832 ( 0.000 -0.029 0.000) 0.029 26.425 ( 0.000 0.377 0.000) 0.377 26.444 ( 0.000 0.245 0.000) 0.245 26.870 ( 0.000 -1.070 0.000) 1.070 27.762 ( 0.000 -11.445 0.000) 11.445 28.676 ( 0.000 6.856 0.000) 6.856 29.024 ( 0.000 -0.562 0.000) 0.562 29.311 ( 0.000 16.578 0.000) 16.578 30.966 ( 0.000 -4.240 0.000) 4.240 ======================= Grid point 12 (8/104) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 17.745 28.273 21.034) 39.455 1.318 ( 29.755 28.755 12.300) 43.169 2.117 ( 35.664 57.536 14.693) 69.269 2.999 ( 12.399 3.351 -9.798) 16.154 3.287 ( 0.239 6.219 10.471) 12.181 3.321 ( -0.544 5.476 -8.829) 10.403 3.588 ( 3.817 2.873 7.139) 8.590 3.821 ( 10.333 6.552 3.056) 12.611 4.087 ( -3.170 3.322 0.762) 4.655 4.309 ( -2.265 -2.653 2.109) 4.076 4.366 ( -0.014 0.257 -4.287) 4.295 4.626 ( -0.471 4.492 0.970) 4.620 4.721 ( -0.598 2.935 -2.763) 4.075 4.789 ( -6.076 -8.273 -1.047) 10.318 4.803 ( -3.150 -5.569 2.801) 6.985 4.943 ( 6.244 -3.867 2.857) 7.881 4.962 ( 6.759 3.059 -5.368) 9.157 5.292 ( 3.590 7.567 -3.457) 9.061 5.390 ( -1.525 2.616 -2.658) 4.029 5.599 ( -6.585 4.401 5.974) 9.921 5.761 ( -13.831 9.754 -0.768) 16.942 5.836 ( -8.513 4.044 7.646) 12.137 5.939 ( 3.397 3.065 -4.608) 6.494 6.136 ( 1.896 7.174 -8.158) 11.028 6.241 ( 6.368 5.102 0.584) 8.181 6.414 ( -5.894 6.375 -0.699) 8.710 6.593 ( -1.940 3.677 -7.739) 8.785 6.713 ( 0.647 -0.694 -9.488) 9.536 6.893 ( 0.077 4.030 2.388) 4.685 7.027 ( -2.488 -5.575 4.183) 7.400 7.195 ( -2.494 2.505 -0.836) 3.632 7.303 ( 2.050 2.313 -5.811) 6.582 7.446 ( -0.351 -2.091 -5.598) 5.986 7.463 ( -2.914 -3.593 -9.644) 10.696 7.554 ( 1.544 -1.745 -7.616) 7.964 7.719 ( -3.577 -2.257 4.380) 6.089 7.828 ( 4.386 -0.206 1.395) 4.607 8.001 ( 0.885 2.146 1.841) 2.963 8.053 ( 1.168 -8.880 8.756) 12.525 8.239 ( -7.312 -2.302 0.683) 7.696 8.293 ( 9.664 -2.705 -1.672) 10.174 8.526 ( 5.655 3.177 -2.971) 7.135 8.700 ( -0.437 2.257 2.528) 3.417 8.843 ( 3.867 -1.359 5.638) 6.970 8.968 ( 0.838 2.570 0.040) 2.704 9.165 ( -2.333 -0.774 -2.686) 3.641 9.347 ( 2.356 5.449 7.541) 9.597 10.389 ( 6.461 -9.056 1.753) 11.261 10.666 ( -13.339 9.736 10.817) 19.742 10.836 ( 1.208 1.979 -2.347) 3.299 11.278 ( 2.341 -0.529 -4.236) 4.869 11.541 ( -20.822 1.076 -6.568) 21.860 11.668 ( -7.923 -9.878 1.736) 12.781 12.074 ( -9.431 4.120 -4.607) 11.276 12.409 ( 2.966 5.868 6.853) 9.497 12.708 ( 3.072 1.654 1.295) 3.722 14.041 ( 0.690 -1.327 -9.505) 9.622 14.269 ( 3.724 2.740 1.188) 4.773 14.611 ( 4.461 -6.301 -2.891) 8.243 14.699 ( 1.234 -3.360 6.092) 7.066 14.854 ( 1.475 -7.743 -0.084) 7.883 15.147 ( 2.375 -5.798 0.016) 6.266 15.250 ( 2.030 -3.766 -0.574) 4.316 15.256 ( 3.904 -3.271 -2.832) 5.827 15.463 ( 1.704 -2.700 -4.227) 5.297 15.591 ( 2.940 -9.316 9.539) 13.654 15.817 ( -4.107 2.698 -1.221) 5.063 15.989 ( -1.430 -9.829 1.074) 9.990 24.583 ( -0.682 1.072 -0.078) 1.273 24.643 ( -3.496 1.716 -1.674) 4.239 24.745 ( -0.980 3.476 -1.521) 3.919 24.931 ( -1.280 0.757 0.354) 1.529 24.984 ( -2.692 0.462 1.111) 2.949 25.267 ( 7.387 -5.811 -7.461) 12.000 25.604 ( 2.791 4.873 -1.376) 5.782 25.890 ( 5.474 -0.508 3.893) 6.736 26.469 ( 3.885 0.766 1.613) 4.276 26.823 ( -3.438 -0.429 -2.285) 4.150 27.132 ( 31.498 -30.974 23.013) 49.811 27.759 ( 2.930 -11.316 -5.939) 13.112 28.661 ( -2.040 6.811 0.985) 7.178 28.998 ( -2.446 0.186 -0.530) 2.510 29.256 ( -4.526 19.340 -2.414) 20.009 30.461 ( -28.384 21.433 -9.982) 36.941 ======================= Grid point 13 (9/104) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 20.925 18.981 21.202) 35.322 1.963 ( 27.687 27.205 12.987) 40.931 2.961 ( 31.815 28.963 11.727) 44.594 3.149 ( -13.783 1.500 9.970) 17.077 3.188 ( 15.495 8.433 -13.923) 22.474 3.454 ( 17.615 13.943 -4.396) 22.892 3.750 ( -0.076 2.949 11.584) 11.954 3.897 ( -3.371 0.619 -3.400) 4.828 4.108 ( 3.782 -1.637 3.136) 5.178 4.239 ( -4.308 7.947 0.927) 9.087 4.331 ( -4.061 -2.902 -2.730) 5.689 4.583 ( -9.994 -3.890 2.090) 10.926 4.607 ( 2.501 -3.303 -2.490) 4.834 4.702 ( -6.468 -3.812 -2.551) 7.930 4.847 ( 5.533 5.951 7.744) 11.225 5.025 ( 1.688 2.494 -4.919) 5.768 5.123 ( 4.133 -2.959 -0.092) 5.084 5.247 ( -1.958 7.030 -3.882) 8.266 5.304 ( -6.018 7.859 -5.601) 11.373 5.501 ( -1.545 13.004 3.348) 13.517 5.625 ( 1.965 -1.941 8.338) 8.784 5.816 ( -3.183 8.088 5.617) 10.349 5.936 ( 1.024 -0.241 -3.524) 3.678 6.105 ( 4.611 4.821 -10.162) 12.156 6.167 ( -12.477 10.128 -3.320) 16.410 6.429 ( 3.495 2.309 -3.187) 5.263 6.506 ( 6.749 -1.041 -12.839) 14.542 6.700 ( 4.277 -3.326 -2.752) 6.077 6.881 ( -3.207 2.772 0.649) 4.288 6.946 ( -6.321 -5.874 -0.724) 8.660 7.052 ( -8.226 -3.888 -8.072) 12.164 7.215 ( 1.228 1.675 -7.333) 7.621 7.381 ( 6.711 -0.892 -4.224) 7.980 7.463 ( 4.295 -0.075 -2.386) 4.914 7.625 ( 8.012 1.621 -4.539) 9.350 7.703 ( -2.070 -1.319 2.661) 3.620 7.948 ( 2.821 1.303 6.331) 7.052 8.030 ( 0.629 -1.314 3.157) 3.477 8.107 ( -0.497 -2.394 1.014) 2.647 8.155 ( -3.467 -2.030 7.837) 8.806 8.417 ( 3.867 -2.875 -1.720) 5.117 8.588 ( 4.278 2.703 -3.061) 5.914 8.743 ( -0.193 3.674 5.772) 6.845 8.868 ( -2.204 -2.073 -0.704) 3.106 9.108 ( 7.338 -3.488 3.964) 9.040 9.132 ( 0.281 -0.027 0.822) 0.869 9.462 ( 1.981 6.228 7.838) 10.205 10.358 ( -20.125 8.542 7.425) 23.089 10.504 ( -1.824 -10.603 -5.793) 12.219 10.815 ( -1.767 1.165 3.346) 3.959 11.175 ( -16.281 5.597 -1.604) 17.290 11.242 ( -1.316 1.062 -8.886) 9.045 11.587 ( -4.874 -4.156 5.673) 8.556 11.803 ( -13.094 5.381 -5.452) 15.170 12.524 ( 6.308 10.450 2.007) 12.370 12.785 ( 4.364 -3.633 -0.307) 5.686 13.945 ( -1.924 1.849 -6.936) 7.432 14.351 ( 2.777 3.314 2.460) 4.974 14.684 ( 3.732 -10.999 0.352) 11.620 14.798 ( 3.198 -3.493 4.786) 6.733 14.875 ( 1.018 -13.910 -0.521) 13.957 15.246 ( 5.093 -6.418 -0.252) 8.197 15.270 ( 1.323 -2.619 0.185) 2.940 15.279 ( 5.612 -2.310 -4.811) 7.744 15.450 ( 0.863 -1.927 -3.857) 4.398 15.720 ( 3.182 -3.917 5.260) 7.289 15.795 ( -0.070 -5.271 3.992) 6.612 15.966 ( -2.057 -8.775 1.460) 9.131 24.562 ( -1.323 0.679 -0.462) 1.557 24.590 ( -0.827 1.331 -1.418) 2.114 24.725 ( -0.419 1.559 -1.096) 1.951 24.897 ( -2.832 0.483 0.413) 2.903 24.943 ( -2.823 1.057 1.522) 3.377 25.338 ( 6.205 -6.630 -4.131) 9.976 25.650 ( 3.002 4.871 -0.713) 5.766 26.058 ( 5.561 -3.049 6.904) 9.375 26.583 ( 6.268 1.405 2.189) 6.786 26.721 ( -3.012 1.563 -4.629) 5.740 27.639 ( 9.058 -14.830 3.430) 17.713 27.808 ( 9.537 -19.629 -0.559) 21.831 28.629 ( -2.583 6.965 1.681) 7.617 28.933 ( -3.824 2.332 -0.605) 4.520 29.124 ( -6.042 21.108 -3.768) 22.277 30.033 ( -13.582 14.603 -2.524) 20.102 ======================= Grid point 14 (10/104) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 17.544 13.352 17.344) 28.051 2.533 ( 20.516 24.263 9.417) 33.140 2.848 ( -16.267 6.103 -1.730) 17.460 3.266 ( 10.948 15.010 -5.276) 19.313 3.481 ( 4.702 8.341 -5.091) 10.844 3.641 ( 1.931 5.972 2.488) 6.752 3.715 ( -6.418 1.544 0.754) 6.644 3.925 ( 7.146 7.409 3.619) 10.911 4.120 ( -7.472 1.268 4.822) 8.982 4.179 ( -5.173 -5.470 -1.470) 7.670 4.273 ( 6.279 0.763 -0.616) 6.355 4.446 ( -11.087 1.799 -5.746) 12.617 4.521 ( -3.544 -0.723 4.437) 5.724 4.695 ( 3.891 -5.221 3.537) 7.410 4.882 ( -7.290 8.994 -10.091) 15.358 5.012 ( 0.025 2.359 -3.362) 4.107 5.073 ( 5.638 9.576 11.421) 15.935 5.267 ( 3.190 6.576 1.194) 7.406 5.285 ( -2.792 7.234 2.717) 8.217 5.569 ( 4.291 6.267 -1.837) 7.815 5.726 ( -2.164 9.226 -2.154) 9.718 5.803 ( -0.089 -2.915 1.742) 3.397 5.884 ( -11.608 6.844 -1.960) 13.617 5.998 ( 6.186 1.758 -0.721) 6.471 6.136 ( 10.365 4.779 -7.326) 13.563 6.410 ( -2.362 -0.816 -10.325) 10.623 6.498 ( 1.308 -1.668 1.335) 2.505 6.745 ( 1.642 -2.886 -0.754) 3.405 6.804 ( -3.194 -5.949 -3.042) 7.406 6.941 ( 9.625 0.580 1.785) 9.806 6.995 ( 9.340 -1.087 -7.614) 12.099 7.239 ( 7.467 -4.012 -3.681) 9.241 7.502 ( 4.273 -1.523 3.731) 5.874 7.558 ( 6.633 2.824 -3.673) 8.091 7.674 ( 7.985 -1.865 -8.383) 11.727 7.792 ( 6.752 1.752 4.515) 8.309 8.027 ( 0.545 5.475 6.671) 8.647 8.082 ( -0.758 -6.753 7.912) 10.430 8.139 ( 1.892 -0.925 0.957) 2.313 8.196 ( 1.836 0.113 3.308) 3.785 8.414 ( -2.237 -1.392 -0.216) 2.643 8.585 ( -1.930 1.883 -2.751) 3.852 8.778 ( -2.523 5.081 6.168) 8.380 8.830 ( 0.682 -4.389 -3.088) 5.410 9.115 ( -2.406 3.316 1.248) 4.283 9.219 ( 1.360 -6.133 -0.260) 6.287 9.564 ( -0.844 3.144 8.369) 8.979 9.921 ( -27.752 4.545 0.149) 28.122 10.427 ( -2.965 -1.594 -3.153) 4.613 10.828 ( -2.237 1.715 4.494) 5.305 10.908 ( -10.387 3.540 -0.816) 11.003 11.109 ( -3.766 3.569 -8.683) 10.115 11.474 ( -7.443 3.929 -6.058) 10.370 11.615 ( -6.272 0.761 4.029) 7.493 12.679 ( 8.239 9.177 1.589) 12.435 12.852 ( 3.789 -6.100 -1.367) 7.310 13.860 ( -1.826 3.415 -3.647) 5.320 14.418 ( 2.233 3.897 2.808) 5.297 14.723 ( -0.457 -6.127 0.949) 6.217 14.874 ( 3.208 -14.869 0.064) 15.211 14.914 ( 1.846 -7.077 2.257) 7.654 15.224 ( -1.462 -7.905 -3.175) 8.644 15.276 ( 2.528 -1.826 -4.250) 5.271 15.423 ( -0.245 -1.437 -2.402) 2.810 15.477 ( 10.082 -4.604 3.574) 11.646 15.790 ( 1.205 -6.449 0.916) 6.624 15.845 ( 0.146 -7.411 3.704) 8.286 15.967 ( 0.416 -4.701 3.735) 6.018 24.538 ( -0.543 0.144 -0.639) 0.851 24.576 ( 0.311 1.402 -0.975) 1.736 24.703 ( -1.125 0.459 -0.708) 1.407 24.838 ( -3.845 0.628 0.232) 3.903 24.915 ( -1.642 1.377 1.252) 2.481 25.411 ( 4.771 -6.744 -2.063) 8.515 25.692 ( 2.039 4.050 -0.399) 4.551 26.142 ( -3.296 -4.507 4.616) 7.244 26.668 ( 3.120 1.830 -3.568) 5.081 26.744 ( 7.763 3.254 2.482) 8.776 27.688 ( 3.516 -6.790 -7.714) 10.862 28.018 ( 6.963 -15.195 6.471) 17.923 28.605 ( -1.688 7.770 1.756) 8.143 28.858 ( -3.842 4.877 0.006) 6.209 28.988 ( -4.486 16.925 -4.302) 18.031 29.849 ( -6.578 5.183 -0.088) 8.375 ======================= Grid point 15 (11/104) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -13.819 10.562 -4.892) 18.068 2.659 ( 12.143 8.923 9.681) 17.911 2.940 ( 5.865 15.618 4.617) 17.310 3.301 ( -10.496 5.814 -4.722) 12.894 3.448 ( 12.375 16.925 -3.310) 21.227 3.525 ( -4.161 10.991 -1.163) 11.809 3.743 ( 1.797 -2.082 -3.056) 4.111 3.934 ( -6.150 4.342 -2.906) 8.070 4.059 ( -10.908 -4.462 13.858) 18.192 4.179 ( 4.176 4.626 3.828) 7.314 4.256 ( 2.203 6.456 -8.950) 11.253 4.382 ( 3.899 -0.283 -1.994) 4.388 4.542 ( -2.828 0.222 8.823) 9.268 4.681 ( -1.294 12.438 -5.132) 13.517 4.830 ( 2.511 -7.845 6.741) 10.644 4.973 ( -0.413 0.057 -6.810) 6.822 5.172 ( -8.532 5.913 -0.917) 10.421 5.260 ( 2.848 4.556 10.169) 11.501 5.358 ( 2.851 6.484 0.714) 7.119 5.575 ( -4.174 3.242 -2.405) 5.807 5.612 ( 0.952 18.374 -6.812) 19.619 5.736 ( -3.156 -2.722 -1.523) 4.438 5.767 ( -3.557 0.910 0.517) 3.708 6.019 ( 0.231 7.051 -3.918) 8.070 6.158 ( -2.668 2.949 -9.047) 9.882 6.389 ( 2.559 4.952 -0.154) 5.576 6.649 ( 3.490 -6.986 3.199) 8.439 6.760 ( 9.337 -5.432 2.011) 10.988 6.812 ( 4.412 -4.809 3.107) 7.228 7.157 ( 14.618 -0.259 -10.764) 18.156 7.180 ( 7.385 -1.536 7.125) 10.376 7.400 ( 12.312 -6.645 -2.764) 14.261 7.572 ( 1.367 -5.124 -0.840) 5.369 7.592 ( 2.450 -2.536 -0.449) 3.555 7.803 ( 8.815 6.320 -4.316) 11.673 7.982 ( 7.855 -1.001 5.853) 9.846 8.071 ( -0.828 5.076 1.684) 5.412 8.153 ( -1.102 -1.339 7.464) 7.663 8.179 ( 1.735 -1.675 2.943) 3.805 8.268 ( 3.560 0.443 -0.388) 3.608 8.361 ( -2.246 0.711 -0.052) 2.356 8.502 ( -3.147 2.305 -3.572) 5.289 8.766 ( -4.060 2.162 5.334) 7.044 8.826 ( 1.375 1.169 -0.917) 2.024 9.080 ( -2.144 3.048 -0.869) 3.827 9.179 ( -3.534 -6.538 -2.719) 7.914 9.408 ( -20.292 -0.538 -0.066) 20.299 9.553 ( -10.504 5.250 3.524) 12.260 10.389 ( 1.329 2.495 -0.448) 2.863 10.749 ( -7.332 3.262 3.945) 8.942 10.836 ( -0.555 0.955 -0.536) 1.228 10.960 ( -3.741 3.603 -7.055) 8.760 11.339 ( -1.778 4.087 -3.950) 5.955 11.545 ( -4.505 2.776 1.868) 5.612 12.824 ( 5.476 7.821 1.219) 9.625 12.897 ( 2.301 -6.970 -1.083) 7.419 13.811 ( -0.996 4.064 -1.440) 4.426 14.491 ( 2.896 4.449 2.489) 5.863 14.699 ( -2.137 -4.729 0.161) 5.192 14.941 ( 2.157 -15.483 1.234) 15.681 14.949 ( 1.601 -5.471 0.988) 5.786 15.149 ( -2.923 -8.156 -4.047) 9.563 15.285 ( 2.087 -0.356 -3.704) 4.267 15.409 ( 0.028 -4.277 0.414) 4.297 15.660 ( 5.778 -6.526 3.343) 9.336 15.789 ( -1.005 -11.691 -0.298) 11.738 15.861 ( -0.335 -4.713 1.005) 4.831 16.032 ( 1.904 -1.520 3.110) 3.950 24.531 ( 0.058 0.000 -0.146) 0.157 24.585 ( 1.683 1.423 -0.860) 2.366 24.671 ( -1.887 -0.543 -0.179) 1.972 24.772 ( -3.162 1.338 -0.046) 3.434 24.905 ( -0.604 1.531 0.690) 1.785 25.468 ( 2.737 -6.449 -0.863) 7.058 25.716 ( 1.020 2.718 -0.305) 2.919 26.071 ( -5.161 -2.769 0.884) 5.923 26.710 ( 2.982 -0.474 -1.437) 3.344 26.911 ( 6.571 6.092 2.682) 9.353 27.664 ( 0.954 -9.653 -5.438) 11.120 28.169 ( 3.995 -5.580 4.436) 8.172 28.596 ( -0.849 8.782 1.112) 8.893 28.802 ( -2.537 5.399 0.840) 6.024 28.888 ( -2.128 12.446 -3.853) 13.202 29.766 ( -2.945 0.575 0.264) 3.013 ======================= Grid point 16 (12/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 11.673 0.000) 11.673 2.876 ( 0.000 5.306 0.000) 5.306 2.925 ( -0.000 8.477 -0.000) 8.477 3.158 ( -0.000 11.520 0.000) 11.520 3.486 ( 0.000 6.580 0.000) 6.580 3.600 ( 0.000 20.887 -0.000) 20.887 3.726 ( 0.000 2.432 0.000) 2.432 3.923 ( 0.000 -2.053 -0.000) 2.053 3.954 ( -0.000 7.115 0.000) 7.115 4.163 ( 0.000 13.275 0.000) 13.275 4.295 ( 0.000 -0.651 0.000) 0.651 4.428 ( 0.000 -2.367 0.000) 2.367 4.552 ( -0.000 -0.740 0.000) 0.740 4.702 ( 0.000 12.402 0.000) 12.402 4.887 ( -0.000 -1.539 0.000) 1.539 4.953 ( -0.000 -8.094 -0.000) 8.094 5.011 ( 0.000 2.239 0.000) 2.239 5.322 ( 0.000 -0.358 0.000) 0.358 5.387 ( 0.000 3.461 0.000) 3.461 5.553 ( 0.000 12.383 0.000) 12.383 5.563 ( -0.000 5.704 -0.000) 5.704 5.678 ( 0.000 9.784 -0.000) 9.784 5.766 ( 0.000 -1.164 0.000) 1.164 5.993 ( 0.000 10.262 -0.000) 10.262 6.079 ( -0.000 1.012 0.000) 1.012 6.398 ( 0.000 10.839 0.000) 10.839 6.635 ( -0.000 -14.745 0.000) 14.745 6.856 ( 0.000 -4.736 0.000) 4.736 6.996 ( 0.000 -3.486 0.000) 3.486 7.249 ( 0.000 1.078 -0.000) 1.078 7.283 ( -0.000 -3.202 0.000) 3.202 7.500 ( 0.000 -12.698 0.000) 12.698 7.552 ( -0.000 -7.043 0.000) 7.043 7.760 ( 0.000 2.492 0.000) 2.492 7.766 ( -0.000 1.075 -0.000) 1.075 8.039 ( 0.000 7.679 0.000) 7.679 8.170 ( 0.000 0.257 0.000) 0.257 8.180 ( 0.000 -5.841 0.000) 5.841 8.184 ( -0.000 -5.179 -0.000) 5.179 8.262 ( 0.000 7.724 0.000) 7.724 8.394 ( -0.000 8.803 -0.000) 8.803 8.413 ( 0.000 0.777 0.000) 0.777 8.756 ( 0.000 -2.765 0.000) 2.765 8.863 ( -0.000 9.942 -0.000) 9.942 9.010 ( 0.000 2.904 0.000) 2.904 9.098 ( 0.000 -4.057 0.000) 4.057 9.231 ( 0.000 -4.115 0.000) 4.115 9.452 ( 0.000 1.892 0.000) 1.892 10.416 ( 0.000 2.324 0.000) 2.324 10.696 ( 0.000 2.056 0.000) 2.056 10.830 ( 0.000 4.783 -0.000) 4.783 10.883 ( 0.000 0.851 0.000) 0.851 11.311 ( 0.000 4.409 0.000) 4.409 11.508 ( 0.000 3.635 -0.000) 3.635 12.882 ( 0.000 7.405 0.000) 7.405 12.913 ( 0.000 -7.163 0.000) 7.163 13.796 ( 0.000 4.232 0.000) 4.232 14.541 ( 0.000 5.404 0.000) 5.404 14.672 ( 0.000 -5.286 0.000) 5.286 14.949 ( 0.000 -5.471 -0.000) 5.471 15.007 ( -0.000 -17.052 -0.000) 17.052 15.076 ( 0.000 -5.699 0.000) 5.699 15.284 ( 0.000 0.861 0.000) 0.861 15.417 ( 0.000 -6.466 -0.000) 6.466 15.734 ( 0.000 -7.099 0.000) 7.099 15.772 ( 0.000 -12.114 0.000) 12.114 15.861 ( 0.000 -4.422 0.000) 4.422 16.066 ( 0.000 -0.917 0.000) 0.917 24.532 ( 0.000 0.054 0.000) 0.054 24.611 ( 0.000 2.326 0.000) 2.326 24.639 ( 0.000 -2.067 0.000) 2.067 24.740 ( 0.000 1.857 0.000) 1.857 24.903 ( 0.000 1.574 0.000) 1.574 25.489 ( 0.000 -6.241 0.000) 6.241 25.724 ( 0.000 1.958 0.000) 1.958 26.021 ( 0.000 -1.814 0.000) 1.814 26.732 ( 0.000 -1.464 0.000) 1.464 26.990 ( 0.000 8.163 0.000) 8.163 27.643 ( 0.000 -12.082 0.000) 12.082 28.230 ( 0.000 -1.405 0.000) 1.405 28.593 ( 0.000 9.061 0.000) 9.061 28.784 ( 0.000 4.089 -0.000) 4.089 28.848 ( 0.000 11.608 0.000) 11.608 29.741 ( 0.000 -0.781 0.000) 0.781 ======================= Grid point 22 (13/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 35.331 0.000) 35.331 1.744 ( 0.000 38.428 0.000) 38.428 3.045 ( 0.000 2.181 0.000) 2.181 3.066 ( 0.000 3.006 0.000) 3.006 3.215 ( 0.000 50.987 0.000) 50.987 3.344 ( 0.000 -12.333 0.000) 12.333 3.506 ( 0.000 5.558 0.000) 5.558 3.953 ( 0.000 -13.220 0.000) 13.220 4.164 ( 0.000 15.089 0.000) 15.089 4.276 ( 0.000 4.959 0.000) 4.959 4.369 ( 0.000 -5.922 0.000) 5.922 4.688 ( 0.000 -0.117 0.000) 0.117 4.699 ( 0.000 -2.774 0.000) 2.774 4.736 ( 0.000 0.105 0.000) 0.105 4.752 ( 0.000 -4.408 0.000) 4.408 4.826 ( 0.000 9.502 0.000) 9.502 5.126 ( 0.000 13.000 0.000) 13.000 5.415 ( 0.000 4.860 0.000) 4.860 5.430 ( 0.000 1.608 0.000) 1.608 5.754 ( 0.000 -14.637 0.000) 14.637 5.864 ( 0.000 1.548 0.000) 1.548 5.906 ( 0.000 8.735 0.000) 8.735 6.145 ( 0.000 8.736 0.000) 8.736 6.371 ( 0.000 3.286 0.000) 3.286 6.439 ( 0.000 12.285 0.000) 12.285 6.582 ( 0.000 -1.218 0.000) 1.218 6.731 ( 0.000 13.098 0.000) 13.098 6.877 ( 0.000 0.194 0.000) 0.194 6.959 ( 0.000 3.492 0.000) 3.492 7.234 ( 0.000 -6.199 0.000) 6.199 7.274 ( 0.000 1.724 0.000) 1.724 7.332 ( 0.000 22.166 0.000) 22.166 7.502 ( 0.000 -6.599 0.000) 6.599 7.510 ( 0.000 13.842 0.000) 13.842 7.605 ( 0.000 2.316 0.000) 2.316 7.684 ( 0.000 1.989 0.000) 1.989 7.770 ( 0.000 1.018 0.000) 1.018 7.843 ( 0.000 -0.732 0.000) 0.732 7.967 ( 0.000 0.320 0.000) 0.320 8.156 ( 0.000 1.024 0.000) 1.024 8.189 ( 0.000 -5.027 0.000) 5.027 8.465 ( 0.000 -3.708 0.000) 3.708 8.741 ( 0.000 -0.762 0.000) 0.762 8.760 ( 0.000 1.242 0.000) 1.242 8.992 ( 0.000 -2.247 0.000) 2.247 9.196 ( 0.000 -4.063 0.000) 4.063 9.364 ( 0.000 3.713 0.000) 3.713 10.204 ( 0.000 -2.406 0.000) 2.406 10.834 ( 0.000 -8.390 0.000) 8.390 10.851 ( 0.000 2.394 0.000) 2.394 11.335 ( 0.000 4.361 0.000) 4.361 11.452 ( 0.000 -14.061 0.000) 14.061 11.694 ( 0.000 -9.957 0.000) 9.957 11.993 ( 0.000 -7.454 0.000) 7.454 12.327 ( 0.000 4.691 0.000) 4.691 12.767 ( 0.000 2.116 0.000) 2.116 14.029 ( 0.000 -1.613 0.000) 1.613 14.235 ( 0.000 -1.158 0.000) 1.158 14.608 ( 0.000 0.763 0.000) 0.763 14.620 ( 0.000 -8.041 0.000) 8.041 14.776 ( 0.000 2.116 0.000) 2.116 14.892 ( 0.000 -12.877 0.000) 12.877 15.122 ( 0.000 -2.113 0.000) 2.113 15.200 ( 0.000 -1.820 0.000) 1.820 15.355 ( 0.000 -4.334 0.000) 4.334 15.432 ( 0.000 -3.244 0.000) 3.244 15.751 ( 0.000 -8.944 0.000) 8.944 15.901 ( 0.000 -2.669 0.000) 2.669 24.622 ( 0.000 1.784 0.000) 1.784 24.693 ( 0.000 -0.194 0.000) 0.194 24.883 ( 0.000 3.580 0.000) 3.580 24.961 ( 0.000 0.827 0.000) 0.827 25.007 ( 0.000 0.015 0.000) 0.015 25.136 ( 0.000 -3.728 0.000) 3.728 25.688 ( 0.000 4.826 0.000) 4.826 25.829 ( 0.000 -0.285 0.000) 0.285 26.435 ( 0.000 0.531 0.000) 0.531 26.450 ( 0.000 0.280 0.000) 0.280 26.871 ( 0.000 1.875 0.000) 1.875 27.477 ( 0.000 -14.324 0.000) 14.324 28.827 ( 0.000 6.635 0.000) 6.635 29.019 ( 0.000 -0.240 0.000) 0.240 29.740 ( 0.000 22.202 0.000) 22.202 30.826 ( 0.000 -9.082 0.000) 9.082 ======================= Grid point 23 (14/104) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 11.640 30.344 16.465) 36.433 1.970 ( 21.100 32.489 4.601) 39.012 3.062 ( 7.397 2.886 1.226) 8.034 3.283 ( 9.008 7.742 4.757) 12.795 3.357 ( 3.414 -3.107 -3.637) 5.877 3.431 ( 16.867 35.582 6.520) 39.913 3.595 ( 9.870 5.861 6.776) 13.329 3.934 ( -0.017 -11.801 -4.189) 12.522 4.085 ( -2.572 10.087 -7.455) 12.803 4.318 ( 0.329 0.639 2.536) 2.636 4.414 ( 1.025 -0.226 5.457) 5.557 4.624 ( -4.285 -2.558 -7.390) 8.918 4.669 ( 3.870 3.541 -4.454) 6.882 4.737 ( -4.043 0.354 7.047) 8.132 4.792 ( 0.400 -0.463 1.419) 1.545 4.889 ( 3.853 2.853 5.912) 7.611 5.153 ( 4.461 14.207 -3.281) 15.248 5.333 ( -5.190 -0.005 -4.303) 6.742 5.406 ( 0.642 1.440 -2.958) 3.352 5.733 ( 0.237 -7.574 -3.091) 8.184 5.841 ( -5.820 4.752 0.624) 7.539 5.909 ( -2.311 1.381 7.461) 7.931 6.111 ( -13.154 11.727 -1.564) 17.692 6.260 ( 7.210 4.046 -3.381) 8.932 6.420 ( -1.558 7.677 -0.758) 7.870 6.572 ( 0.409 1.871 -8.786) 8.992 6.686 ( -2.543 8.900 -3.735) 9.982 6.813 ( -7.167 3.500 -3.780) 8.827 6.975 ( -1.180 6.511 -0.442) 6.631 7.095 ( -9.273 5.808 0.864) 10.976 7.209 ( -0.841 1.290 -5.350) 5.567 7.275 ( -8.478 -4.816 0.548) 9.766 7.416 ( -5.506 0.574 -7.727) 9.505 7.463 ( 2.285 1.342 -0.115) 2.652 7.614 ( 5.502 11.700 -0.970) 12.965 7.703 ( -2.187 1.086 0.865) 2.591 7.790 ( 1.490 -1.543 0.331) 2.171 7.951 ( 6.576 6.333 5.733) 10.781 8.088 ( -6.195 0.411 5.133) 8.056 8.151 ( 8.933 -0.204 0.904) 8.981 8.241 ( 4.494 -2.379 0.327) 5.096 8.523 ( 4.353 -4.097 -2.701) 6.560 8.749 ( -0.620 1.306 4.858) 5.069 8.826 ( 6.002 1.198 2.841) 6.748 8.989 ( 1.672 -2.436 -0.890) 3.086 9.129 ( -2.290 -1.127 -6.891) 7.348 9.411 ( 0.590 -0.290 8.740) 8.765 10.282 ( 7.311 -3.992 -2.635) 8.737 10.761 ( -14.011 -7.050 4.104) 16.213 10.836 ( -0.014 -0.495 -1.491) 1.571 11.265 ( -2.806 -0.431 -3.284) 4.341 11.427 ( -3.845 -10.047 2.449) 11.033 11.548 ( -6.473 3.809 0.228) 7.514 12.112 ( -0.629 -1.448 -1.802) 2.396 12.395 ( 7.821 -2.563 6.056) 10.218 12.728 ( -3.447 -0.770 0.973) 3.663 14.009 ( -0.250 -1.045 -2.769) 2.971 14.291 ( 4.275 -2.142 1.318) 4.960 14.555 ( -2.157 -0.596 -5.342) 5.791 14.647 ( 2.374 -5.626 -1.094) 6.203 14.705 ( -4.104 -0.487 0.458) 4.158 14.944 ( 4.040 -11.282 1.175) 12.041 15.162 ( 3.231 -4.155 -1.369) 5.439 15.213 ( 1.131 -0.977 0.734) 1.665 15.358 ( 0.330 -5.433 -0.574) 5.473 15.475 ( 3.048 -3.978 3.576) 6.156 15.722 ( -2.154 -8.271 -2.127) 8.808 15.866 ( -2.303 -2.068 -0.105) 3.097 24.613 ( -0.797 1.587 -0.371) 1.814 24.662 ( -2.368 0.392 -1.269) 2.715 24.829 ( -2.572 4.076 -2.396) 5.382 24.947 ( -1.516 0.514 -0.177) 1.610 24.996 ( -2.113 0.663 1.971) 2.965 25.153 ( 2.977 -4.816 -2.356) 6.133 25.710 ( 2.139 4.714 -0.165) 5.179 25.872 ( 3.487 -1.082 2.911) 4.669 26.495 ( 4.819 1.727 2.685) 5.781 26.765 ( 19.024 -9.129 12.927) 24.746 26.849 ( 1.029 3.197 -1.883) 3.851 27.487 ( 4.275 -13.721 -6.327) 15.702 28.811 ( -2.188 6.630 1.279) 7.098 29.000 ( -1.678 -0.069 -0.686) 1.814 29.697 ( -4.469 21.678 -0.282) 22.136 30.622 ( -16.284 -1.967 -5.929) 17.441 ======================= Grid point 24 (15/104) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 15.145 24.879 17.419) 33.937 2.484 ( 24.609 22.955 10.957) 35.392 3.156 ( -5.281 1.851 4.364) 7.096 3.371 ( 10.951 7.611 -7.626) 15.363 3.545 ( 10.752 0.142 4.979) 11.850 3.734 ( 5.190 12.404 1.257) 13.505 3.873 ( -2.464 -5.490 0.332) 6.027 3.929 ( 8.504 7.710 -2.691) 11.790 4.003 ( 6.215 11.114 2.976) 13.077 4.265 ( -4.807 -1.349 -3.709) 6.220 4.437 ( -6.334 -6.681 -7.931) 12.151 4.463 ( -0.290 6.147 4.375) 7.551 4.695 ( -4.554 8.231 3.681) 10.102 4.735 ( 4.093 12.374 -0.806) 13.058 4.893 ( 4.302 -1.657 11.470) 12.362 5.024 ( 4.453 -0.652 -6.030) 7.524 5.172 ( -0.948 -4.575 -2.793) 5.444 5.223 ( 1.657 10.787 -2.163) 11.125 5.459 ( 8.941 -2.649 -1.073) 9.387 5.654 ( -5.376 6.635 2.854) 9.004 5.819 ( -0.583 3.677 5.522) 6.660 5.889 ( -3.271 8.062 -0.592) 8.721 5.953 ( -4.138 2.168 4.766) 6.674 6.254 ( -3.878 6.959 -4.490) 9.145 6.395 ( -4.815 3.608 -3.409) 6.915 6.483 ( 2.176 2.164 -11.415) 11.820 6.580 ( 4.376 6.527 -18.397) 20.005 6.727 ( 0.951 8.152 -0.683) 8.235 6.840 ( -6.821 -0.928 2.044) 7.180 6.933 ( -7.821 -2.523 -3.968) 9.125 7.120 ( -2.689 6.378 0.860) 6.975 7.239 ( -2.338 6.085 -0.448) 6.534 7.296 ( -1.376 -0.097 0.696) 1.545 7.523 ( 8.580 -0.527 -7.349) 11.310 7.702 ( 5.104 6.890 -0.387) 8.584 7.748 ( 4.228 1.915 1.984) 5.047 7.841 ( 1.556 -4.736 3.497) 6.089 7.974 ( -6.444 1.960 4.528) 8.116 8.057 ( -1.317 -3.781 2.575) 4.760 8.191 ( -0.787 1.588 1.152) 2.114 8.399 ( 7.105 2.892 1.679) 7.853 8.583 ( 5.900 -3.647 -3.832) 7.924 8.783 ( -2.833 0.438 4.956) 5.725 8.889 ( -3.166 4.110 1.282) 5.344 9.056 ( 5.857 -2.805 -1.252) 6.613 9.122 ( 6.610 -0.249 -1.132) 6.711 9.500 ( -0.858 -3.181 8.941) 9.529 10.290 ( -8.213 -14.159 -9.537) 18.944 10.487 ( -10.784 4.534 6.628) 13.445 10.833 ( -0.064 -0.067 1.483) 1.486 11.198 ( -1.787 -2.407 -4.331) 5.268 11.298 ( -12.275 3.726 0.860) 12.857 11.556 ( 2.411 3.852 6.018) 7.541 11.922 ( -11.531 5.423 -8.331) 15.224 12.616 ( 7.436 -2.850 3.810) 8.828 12.715 ( 1.652 -4.236 3.067) 5.484 13.979 ( 0.275 0.969 -3.570) 3.710 14.373 ( 3.526 -4.324 -0.170) 5.582 14.486 ( 0.860 -1.483 -4.361) 4.686 14.639 ( -1.268 -6.959 -0.527) 7.093 14.714 ( 1.600 -4.689 3.286) 5.945 15.031 ( 2.535 -11.131 1.863) 11.567 15.185 ( 1.532 -5.124 -2.596) 5.945 15.266 ( 4.114 0.424 1.705) 4.474 15.355 ( 0.269 -6.794 -1.027) 6.876 15.589 ( 3.999 -9.351 3.073) 10.624 15.652 ( -1.949 -4.315 -1.513) 4.970 15.849 ( 0.046 -2.461 1.152) 2.718 24.584 ( -1.699 1.207 -0.988) 2.306 24.614 ( -0.958 0.759 -1.383) 1.846 24.774 ( -1.768 2.910 -1.555) 3.744 24.904 ( -2.873 -0.036 -0.102) 2.875 24.973 ( -2.171 1.663 1.875) 3.316 25.200 ( 3.956 -6.015 -1.418) 7.338 25.750 ( 1.702 4.387 0.589) 4.742 25.981 ( 2.798 -3.804 5.490) 7.242 26.638 ( 7.588 3.878 2.659) 8.927 26.780 ( 0.372 3.763 -6.176) 7.242 27.294 ( 19.007 -13.234 13.042) 26.580 27.515 ( 6.573 -12.193 -8.899) 16.464 28.783 ( -2.337 6.798 2.363) 7.567 28.954 ( -2.045 0.597 -1.260) 2.475 29.577 ( -7.973 20.507 -0.867) 22.019 30.247 ( -17.021 4.160 -5.026) 18.229 ======================= Grid point 25 (16/104) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 11.961 18.396 13.717) 25.877 2.977 ( 0.753 15.137 3.746) 15.612 3.012 ( 3.945 10.303 6.575) 12.843 3.502 ( 8.152 6.265 -3.475) 10.852 3.614 ( -5.979 3.000 -7.277) 9.884 3.706 ( 3.985 -5.126 -4.685) 8.007 3.835 ( -5.687 5.052 -0.414) 7.618 3.967 ( -5.187 -6.270 7.657) 11.173 4.035 ( 5.781 3.115 1.180) 6.671 4.253 ( -5.444 -0.358 -5.074) 7.451 4.342 ( 4.313 5.851 -2.291) 7.621 4.499 ( 0.611 2.630 2.080) 3.408 4.632 ( -5.056 12.622 2.418) 13.811 4.782 ( -1.392 15.625 4.365) 16.283 4.890 ( 0.374 -5.555 -6.740) 8.742 5.073 ( -1.672 4.774 -7.189) 8.790 5.191 ( 8.082 3.097 8.782) 12.330 5.274 ( -0.577 -0.764 0.326) 1.011 5.617 ( 2.212 11.279 -0.377) 11.501 5.720 ( 4.680 -4.260 7.681) 9.952 5.769 ( -3.589 13.647 0.995) 14.146 5.881 ( -3.608 4.563 8.601) 10.383 6.027 ( 1.842 1.797 -1.630) 3.046 6.090 ( -2.099 1.443 -5.002) 5.614 6.313 ( 6.006 11.250 -5.290) 13.806 6.337 ( -4.032 0.781 -11.104) 11.839 6.546 ( 3.537 5.580 -7.387) 9.911 6.699 ( -1.476 3.342 -2.259) 4.295 6.843 ( 4.841 -1.722 -6.084) 7.964 6.972 ( 11.961 3.472 -1.703) 12.570 7.062 ( -2.767 14.401 2.318) 14.846 7.180 ( 1.388 -1.460 0.160) 2.021 7.383 ( 6.435 -5.793 1.984) 8.883 7.665 ( 5.481 0.447 -0.323) 5.508 7.732 ( 8.323 10.842 -8.633) 16.167 7.840 ( 2.106 1.087 2.080) 3.153 7.933 ( -1.998 -6.713 11.054) 13.086 7.975 ( 5.409 -6.866 6.710) 11.019 8.052 ( -0.386 -7.823 1.650) 8.005 8.224 ( 3.465 3.564 -0.876) 5.047 8.481 ( 1.038 6.975 1.620) 7.235 8.606 ( -2.837 0.366 -0.778) 2.964 8.715 ( -1.913 -4.798 -3.341) 6.151 8.884 ( -1.405 2.854 4.744) 5.711 9.110 ( 1.046 -4.770 -2.447) 5.462 9.190 ( 0.379 3.581 -1.044) 3.750 9.532 ( -5.123 -6.300 6.661) 10.503 9.902 ( -20.515 -8.284 -3.356) 22.378 10.470 ( -0.279 5.519 0.780) 5.581 10.853 ( 0.009 0.253 1.648) 1.667 11.054 ( -13.867 7.908 2.034) 16.092 11.112 ( -3.493 -0.693 -5.423) 6.488 11.625 ( -6.253 8.851 -4.963) 11.919 11.656 ( -1.500 3.659 0.677) 4.012 12.694 ( 3.001 -7.099 -1.495) 7.851 12.860 ( 6.804 3.583 4.918) 9.128 13.951 ( 0.144 4.297 -3.211) 5.367 14.421 ( 2.553 -8.963 -0.476) 9.331 14.504 ( 3.329 -7.043 -1.763) 7.987 14.627 ( -0.692 -2.898 1.888) 3.527 14.775 ( 2.200 -7.587 1.818) 8.106 15.041 ( -2.048 -8.774 0.058) 9.010 15.185 ( 0.576 -6.044 -0.833) 6.129 15.332 ( 0.195 -6.551 -1.961) 6.841 15.408 ( 6.007 -2.935 3.811) 7.696 15.551 ( -3.826 -12.101 -1.023) 12.733 15.728 ( 4.507 -2.690 1.186) 5.381 15.888 ( 2.429 -3.343 2.093) 4.632 24.550 ( -0.740 0.907 -0.921) 1.489 24.596 ( 0.093 0.353 -1.103) 1.162 24.729 ( -2.035 2.036 -0.775) 2.981 24.846 ( -3.271 -0.153 -0.114) 3.277 24.958 ( -1.136 2.611 1.371) 3.160 25.262 ( 3.634 -6.864 -0.515) 7.784 25.774 ( 0.214 3.666 0.638) 3.727 26.033 ( -2.393 -5.189 4.255) 7.125 26.736 ( 3.292 4.650 -6.007) 8.279 26.838 ( 9.493 5.154 2.661) 11.125 27.511 ( 4.023 -8.875 -9.026) 13.283 27.714 ( 13.057 -13.260 9.669) 20.971 28.780 ( -0.563 7.660 2.803) 8.176 28.913 ( -0.683 2.226 -1.628) 2.841 29.403 ( -9.355 18.894 -1.547) 21.140 29.947 ( -11.921 2.795 -2.229) 12.446 ======================= Grid point 26 (17/104) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -11.630 12.421 -2.041) 17.138 2.890 ( 7.191 10.547 2.496) 13.006 3.164 ( -7.092 5.972 4.225) 10.189 3.474 ( -3.608 8.592 -3.505) 9.956 3.641 ( 7.781 -3.374 -2.259) 8.777 3.701 ( -2.556 5.036 -6.694) 8.758 3.834 ( 15.864 9.767 0.525) 18.637 3.881 ( -12.347 -6.024 13.317) 19.133 4.128 ( 0.165 7.379 -3.838) 8.319 4.280 ( 5.440 4.004 5.571) 8.756 4.365 ( 7.687 6.117 -7.100) 12.121 4.491 ( -2.953 -1.815 2.382) 4.206 4.618 ( 0.530 6.059 4.324) 7.462 4.753 ( -6.448 9.270 7.022) 13.297 4.838 ( -0.825 -2.577 -5.211) 5.872 4.981 ( -2.952 8.377 -7.682) 11.743 5.189 ( -8.236 -3.581 1.096) 9.048 5.340 ( 1.534 4.659 4.773) 6.844 5.613 ( -1.098 12.346 -0.762) 12.418 5.663 ( -4.907 3.387 -4.690) 7.586 5.746 ( -3.959 2.404 0.866) 4.712 5.927 ( 1.933 9.560 -3.272) 10.288 5.941 ( 0.562 5.493 5.962) 8.126 6.176 ( -4.808 3.460 0.620) 5.956 6.227 ( 8.120 10.272 -3.914) 13.666 6.382 ( 4.031 1.318 -11.080) 11.864 6.568 ( -5.778 -3.539 -1.560) 6.953 6.730 ( 13.579 2.177 3.782) 14.263 6.824 ( -1.105 9.973 1.216) 10.108 7.146 ( 11.796 0.380 -3.004) 12.179 7.223 ( 5.668 3.716 2.729) 7.307 7.335 ( 15.521 2.189 0.059) 15.675 7.452 ( 1.718 -2.908 -5.573) 6.517 7.640 ( -2.192 4.720 3.102) 6.058 7.895 ( 4.601 -5.951 2.637) 7.971 7.934 ( 4.675 1.132 0.077) 4.811 8.017 ( 4.754 -3.598 4.143) 7.260 8.070 ( 2.469 -4.782 1.175) 5.508 8.165 ( 3.388 -2.110 5.583) 6.863 8.258 ( 2.455 1.480 -0.339) 2.887 8.507 ( -0.737 8.715 0.784) 8.781 8.520 ( -3.312 1.957 0.485) 3.878 8.678 ( 1.517 -8.609 -1.779) 8.921 8.901 ( -1.515 1.053 3.703) 4.137 9.059 ( -0.978 -5.012 -3.068) 5.957 9.149 ( -2.454 3.487 -4.120) 5.929 9.338 ( -17.183 -6.736 1.687) 18.533 9.606 ( -11.864 -1.542 0.366) 11.969 10.465 ( -0.039 4.550 -0.270) 4.558 10.833 ( -6.292 0.729 2.254) 6.723 10.885 ( -3.406 5.591 1.013) 6.625 10.982 ( -4.066 0.135 -5.262) 6.652 11.489 ( -1.256 9.239 -3.439) 9.938 11.678 ( -0.293 8.874 0.916) 8.926 12.729 ( 1.963 -7.136 -1.014) 7.470 13.003 ( 4.586 5.955 2.507) 7.924 13.929 ( -0.013 6.427 -1.786) 6.670 14.459 ( 1.825 -13.194 -0.322) 13.324 14.553 ( 2.759 -11.597 -0.326) 11.926 14.643 ( 0.063 1.810 2.112) 2.783 14.824 ( 2.038 -7.602 0.525) 7.888 14.979 ( -3.729 -6.959 -1.103) 7.972 15.198 ( 0.839 -7.818 0.692) 7.893 15.305 ( -0.613 -6.266 -2.099) 6.637 15.474 ( -2.806 -13.174 0.061) 13.470 15.553 ( 4.327 -4.294 3.386) 6.973 15.781 ( 1.394 -2.155 -0.847) 2.703 15.960 ( 2.660 -4.670 1.812) 5.672 24.540 ( 0.092 0.733 -0.308) 0.801 24.595 ( 0.789 -0.466 -0.931) 1.307 24.688 ( -1.889 2.052 -0.115) 2.791 24.791 ( -2.357 0.261 -0.185) 2.379 24.954 ( -0.382 3.164 0.735) 3.270 25.315 ( 2.251 -7.472 -0.108) 7.805 25.774 ( -0.491 2.766 0.226) 2.818 25.996 ( -3.384 -3.933 1.378) 5.368 26.746 ( 2.382 3.968 -3.319) 5.695 27.051 ( 9.631 5.971 3.812) 11.956 27.454 ( -1.616 -8.283 -7.306) 11.162 27.977 ( 7.501 -11.952 5.646) 15.198 28.805 ( 0.411 9.499 2.096) 9.736 28.907 ( 1.468 5.202 -1.348) 5.571 29.229 ( -7.435 16.471 -1.467) 18.130 29.769 ( -6.274 -0.768 -0.555) 6.345 ======================= Grid point 27 (18/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.000 13.904 0.000) 13.904 3.016 ( 0.000 -0.899 0.000) 0.899 3.035 ( -0.000 9.141 -0.000) 9.141 3.417 ( 0.000 10.596 0.000) 10.596 3.635 ( -0.000 8.287 0.000) 8.287 3.743 ( -0.000 0.710 0.000) 0.710 3.779 ( 0.000 -8.968 -0.000) 8.968 4.083 ( 0.000 18.671 0.000) 18.671 4.149 ( -0.000 7.550 -0.000) 7.550 4.263 ( 0.000 -1.409 0.000) 1.409 4.465 ( -0.000 6.790 0.000) 6.790 4.482 ( 0.000 -2.296 -0.000) 2.296 4.627 ( 0.000 13.251 0.000) 13.251 4.760 ( 0.000 -8.710 -0.000) 8.710 4.774 ( -0.000 8.119 0.000) 8.119 4.925 ( 0.000 2.539 0.000) 2.539 5.052 ( 0.000 -2.534 0.000) 2.534 5.379 ( -0.000 5.739 0.000) 5.739 5.566 ( 0.000 -0.052 -0.000) 0.052 5.598 ( 0.000 11.827 0.000) 11.827 5.719 ( 0.000 4.121 -0.000) 4.121 5.932 ( 0.000 6.212 0.000) 6.212 6.002 ( 0.000 20.249 -0.000) 20.249 6.133 ( 0.000 5.533 -0.000) 5.533 6.290 ( -0.000 15.894 0.000) 15.894 6.301 ( 0.000 -13.675 0.000) 13.675 6.548 ( -0.000 -3.820 -0.000) 3.820 6.812 ( 0.000 9.075 -0.000) 9.075 6.910 ( 0.000 -4.060 0.000) 4.060 7.278 ( 0.000 1.185 0.000) 1.185 7.322 ( -0.000 3.094 -0.000) 3.094 7.350 ( 0.000 -0.163 0.000) 0.163 7.482 ( 0.000 4.086 -0.000) 4.086 7.791 ( 0.000 2.125 0.000) 2.125 7.852 ( 0.000 5.633 -0.000) 5.633 7.969 ( 0.000 -8.515 0.000) 8.515 8.029 ( 0.000 -8.947 -0.000) 8.947 8.128 ( 0.000 -2.963 0.000) 2.963 8.224 ( 0.000 5.387 0.000) 5.387 8.375 ( -0.000 1.835 -0.000) 1.835 8.420 ( 0.000 -6.111 0.000) 6.111 8.500 ( -0.000 8.022 0.000) 8.022 8.753 ( 0.000 -1.053 -0.000) 1.053 8.880 ( 0.000 -7.629 -0.000) 7.629 9.027 ( 0.000 0.494 0.000) 0.494 9.133 ( -0.000 -1.102 0.000) 1.102 9.134 ( 0.000 0.437 -0.000) 0.437 9.460 ( 0.000 -1.988 0.000) 1.988 10.467 ( 0.000 2.542 0.000) 2.542 10.763 ( 0.000 1.669 0.000) 1.669 10.878 ( 0.000 1.458 -0.000) 1.458 10.913 ( 0.000 2.576 0.000) 2.576 11.470 ( 0.000 10.053 0.000) 10.053 11.675 ( 0.000 10.920 0.000) 10.920 12.743 ( 0.000 -6.999 0.000) 6.999 13.059 ( 0.000 6.448 0.000) 6.448 13.920 ( 0.000 7.035 0.000) 7.035 14.475 ( 0.000 -14.779 0.000) 14.779 14.581 ( -0.000 -13.547 0.000) 13.547 14.655 ( 0.000 3.431 -0.000) 3.431 14.858 ( 0.000 -6.096 0.000) 6.096 14.920 ( -0.000 -6.853 0.000) 6.853 15.214 ( 0.000 -9.938 -0.000) 9.938 15.285 ( 0.000 -4.344 0.000) 4.344 15.445 ( 0.000 -13.903 0.000) 13.903 15.616 ( 0.000 -4.937 0.000) 4.937 15.784 ( 0.000 -1.824 0.000) 1.824 15.995 ( 0.000 -5.064 0.000) 5.064 24.541 ( 0.000 0.698 0.000) 0.698 24.601 ( 0.000 -1.487 -0.000) 1.487 24.667 ( 0.000 2.778 0.000) 2.778 24.766 ( 0.000 0.530 0.000) 0.530 24.955 ( 0.000 3.335 0.000) 3.335 25.336 ( 0.000 -7.717 0.000) 7.717 25.769 ( 0.000 2.338 0.000) 2.338 25.968 ( 0.000 -3.108 0.000) 3.108 26.753 ( 0.000 3.630 0.000) 3.630 27.197 ( 0.000 11.187 0.000) 11.187 27.367 ( 0.000 -13.191 0.000) 13.191 28.075 ( 0.000 -12.025 0.000) 12.025 28.821 ( -0.000 10.879 0.000) 10.879 28.922 ( 0.000 7.327 -0.000) 7.327 29.143 ( 0.000 14.712 0.000) 14.712 29.709 ( 0.000 -2.535 0.000) 2.535 ======================= Grid point 33 (19/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 31.213 0.000) 31.213 2.518 ( 0.000 34.028 0.000) 34.028 2.892 ( 0.000 -25.867 0.000) 25.867 3.015 ( 0.000 -3.411 0.000) 3.411 3.061 ( 0.000 -0.412 0.000) 0.412 3.208 ( 0.000 -22.895 0.000) 22.895 3.900 ( 0.000 7.762 0.000) 7.762 4.078 ( 0.000 -8.678 0.000) 8.678 4.369 ( 0.000 22.479 0.000) 22.479 4.426 ( 0.000 21.374 0.000) 21.374 4.508 ( 0.000 7.184 0.000) 7.184 4.564 ( 0.000 -8.593 0.000) 8.593 4.665 ( 0.000 2.195 0.000) 2.195 4.687 ( 0.000 -0.897 0.000) 0.897 4.703 ( 0.000 -2.215 0.000) 2.215 5.030 ( 0.000 -6.554 0.000) 6.554 5.441 ( 0.000 -1.572 0.000) 1.572 5.466 ( 0.000 0.797 0.000) 0.797 5.491 ( 0.000 16.282 0.000) 16.282 5.563 ( 0.000 3.355 0.000) 3.355 5.871 ( 0.000 1.124 0.000) 1.124 5.968 ( 0.000 -2.401 0.000) 2.401 6.212 ( 0.000 1.163 0.000) 1.163 6.352 ( 0.000 -6.773 0.000) 6.773 6.562 ( 0.000 3.106 0.000) 3.106 6.633 ( 0.000 5.387 0.000) 5.387 6.731 ( 0.000 -16.236 0.000) 16.236 6.808 ( 0.000 -11.219 0.000) 11.219 6.981 ( 0.000 6.487 0.000) 6.487 7.041 ( 0.000 3.282 0.000) 3.282 7.461 ( 0.000 5.734 0.000) 5.734 7.523 ( 0.000 5.370 0.000) 5.370 7.556 ( 0.000 1.073 0.000) 1.073 7.602 ( 0.000 0.244 0.000) 0.244 7.798 ( 0.000 0.699 0.000) 0.699 7.810 ( 0.000 -1.184 0.000) 1.184 7.880 ( 0.000 1.463 0.000) 1.463 7.903 ( 0.000 4.776 0.000) 4.776 8.086 ( 0.000 13.980 0.000) 13.980 8.249 ( 0.000 15.453 0.000) 15.453 8.308 ( 0.000 -8.353 0.000) 8.353 8.343 ( 0.000 16.184 0.000) 16.184 8.700 ( 0.000 -2.957 0.000) 2.957 8.843 ( 0.000 5.405 0.000) 5.405 8.876 ( 0.000 -6.966 0.000) 6.966 9.077 ( 0.000 -8.716 0.000) 8.716 9.445 ( 0.000 9.407 0.000) 9.407 9.903 ( 0.000 -26.823 0.000) 26.823 10.689 ( 0.000 1.635 0.000) 1.635 10.816 ( 0.000 -6.486 0.000) 6.486 11.279 ( 0.000 -0.412 0.000) 0.412 11.344 ( 0.000 -3.635 0.000) 3.635 11.667 ( 0.000 5.358 0.000) 5.358 11.822 ( 0.000 -8.247 0.000) 8.247 12.503 ( 0.000 11.042 0.000) 11.042 12.718 ( 0.000 -7.149 0.000) 7.149 14.030 ( 0.000 2.834 0.000) 2.834 14.149 ( 0.000 -6.607 0.000) 6.607 14.493 ( 0.000 -2.023 0.000) 2.023 14.539 ( 0.000 -5.697 0.000) 5.697 14.799 ( 0.000 3.353 0.000) 3.353 14.837 ( 0.000 1.604 0.000) 1.604 15.088 ( 0.000 -0.604 0.000) 0.604 15.135 ( 0.000 -4.341 0.000) 4.341 15.291 ( 0.000 -1.468 0.000) 1.468 15.317 ( 0.000 -4.613 0.000) 4.613 15.708 ( 0.000 3.304 0.000) 3.304 15.810 ( 0.000 -5.276 0.000) 5.276 24.659 ( 0.000 1.572 0.000) 1.572 24.684 ( 0.000 -0.744 0.000) 0.744 24.951 ( 0.000 2.352 0.000) 2.352 24.971 ( 0.000 0.048 0.000) 0.048 25.014 ( 0.000 1.051 0.000) 1.051 25.063 ( 0.000 -3.147 0.000) 3.147 25.773 ( 0.000 2.962 0.000) 2.962 25.815 ( 0.000 -1.159 0.000) 1.159 26.446 ( 0.000 0.449 0.000) 0.449 26.452 ( 0.000 -0.111 0.000) 0.111 26.969 ( 0.000 7.537 0.000) 7.537 27.186 ( 0.000 -12.453 0.000) 12.453 28.943 ( 0.000 4.129 0.000) 4.129 29.002 ( 0.000 -1.596 0.000) 1.596 30.200 ( 0.000 20.156 0.000) 20.156 30.573 ( 0.000 -14.742 0.000) 14.742 ======================= Grid point 34 (20/104) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 7.990 28.184 11.318) 31.405 2.655 ( 13.319 31.119 1.308) 33.875 2.961 ( 4.089 -21.123 7.512) 22.789 3.169 ( 10.714 2.683 5.636) 12.400 3.247 ( 14.548 -18.196 0.865) 23.313 3.282 ( 8.420 -9.864 2.441) 13.197 3.887 ( 2.199 5.913 -5.797) 8.568 4.038 ( -1.355 -7.649 -4.931) 9.201 4.321 ( -2.896 10.739 -7.285) 13.296 4.441 ( -0.907 7.705 -5.650) 9.598 4.526 ( 0.511 13.686 3.181) 14.060 4.571 ( 3.675 0.096 -4.235) 5.608 4.654 ( -0.053 -1.840 7.565) 7.786 4.712 ( 0.308 -1.364 4.271) 4.494 4.792 ( 2.857 6.256 12.791) 14.523 5.079 ( 3.392 -1.716 2.618) 4.616 5.372 ( -4.768 3.044 -7.838) 9.667 5.416 ( -1.281 -1.434 -6.516) 6.794 5.502 ( 2.709 13.686 -3.835) 14.469 5.557 ( 1.395 -0.423 2.317) 2.738 5.882 ( -0.596 0.737 -1.980) 2.196 5.919 ( -5.502 -0.092 3.425) 6.482 6.204 ( -2.519 0.043 -2.554) 3.588 6.294 ( -0.169 -2.845 1.437) 3.192 6.538 ( -0.335 4.787 -5.920) 7.621 6.613 ( 2.068 2.582 -8.751) 9.355 6.746 ( -1.647 -6.139 -0.399) 6.368 6.808 ( 0.038 -13.197 -1.503) 13.282 6.913 ( -6.747 3.822 0.894) 7.805 6.998 ( -2.457 -4.075 0.893) 4.841 7.244 ( -12.766 3.066 -0.546) 13.140 7.309 ( -14.468 0.893 0.725) 14.514 7.553 ( -5.186 7.466 -1.416) 9.200 7.585 ( -2.666 2.917 1.867) 4.371 7.723 ( -0.466 3.944 -0.298) 3.982 7.831 ( -0.913 -0.091 0.569) 1.080 7.957 ( 5.393 8.207 -0.014) 9.820 7.999 ( 3.686 4.157 -6.617) 8.640 8.173 ( 6.630 0.302 -2.407) 7.059 8.287 ( 3.114 16.169 2.913) 16.722 8.328 ( -1.268 -2.963 2.521) 4.092 8.418 ( 5.311 7.689 2.537) 9.683 8.715 ( 1.190 -3.277 4.419) 5.629 8.834 ( 2.370 -9.875 -2.073) 10.365 8.951 ( 6.918 9.879 4.241) 12.784 9.152 ( 2.702 -2.444 2.873) 4.640 9.386 ( -3.762 7.577 -1.697) 8.628 9.915 ( 1.502 -30.880 -5.115) 31.337 10.658 ( -4.586 3.656 3.154) 6.659 10.789 ( -2.825 -5.846 1.844) 6.749 11.240 ( -2.340 0.474 -1.209) 2.677 11.296 ( -1.057 -3.680 -2.281) 4.457 11.727 ( 2.919 10.972 4.474) 12.204 11.967 ( 7.118 -10.749 5.282) 13.932 12.462 ( -1.132 8.352 -3.054) 8.965 12.649 ( -5.339 -7.098 -2.019) 9.109 14.027 ( -0.673 3.520 0.822) 3.677 14.163 ( 0.729 -8.160 1.072) 8.262 14.504 ( 1.118 -1.102 0.347) 1.607 14.550 ( 0.792 -5.062 0.425) 5.141 14.774 ( -2.526 5.587 -2.805) 6.742 14.835 ( 1.408 -0.081 -0.051) 1.411 15.092 ( 1.037 -1.664 -1.320) 2.364 15.150 ( 1.357 -5.978 -0.313) 6.138 15.283 ( -0.424 -0.059 0.177) 0.463 15.343 ( 1.957 -5.447 0.784) 5.841 15.693 ( -0.724 3.556 -0.921) 3.744 15.791 ( -1.035 -4.707 -0.913) 4.905 24.645 ( -1.117 1.252 -0.794) 1.856 24.662 ( -1.635 -0.385 -1.097) 2.006 24.908 ( -2.720 3.054 -2.145) 4.618 24.947 ( -2.132 -0.651 -0.844) 2.384 25.014 ( -0.950 1.274 1.867) 2.451 25.064 ( 0.730 -3.424 -0.226) 3.509 25.794 ( 1.499 3.078 1.084) 3.591 25.843 ( 1.943 -1.713 2.042) 3.299 26.545 ( 7.419 3.044 4.663) 9.276 26.627 ( 12.009 -4.758 7.859) 15.120 26.974 ( 3.402 8.520 -3.823) 9.939 27.202 ( 4.688 -12.520 -5.382) 14.411 28.927 ( -1.857 4.121 0.647) 4.566 28.986 ( -1.611 -1.501 -0.112) 2.205 30.136 ( -6.411 18.698 -0.746) 19.781 30.466 ( -9.737 -11.894 -2.618) 15.593 ======================= Grid point 35 (21/104) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 10.448 23.242 14.824) 29.480 2.960 ( 13.692 19.233 7.276) 24.704 3.174 ( 10.620 -7.812 6.935) 14.896 3.305 ( 1.895 -5.626 2.109) 6.301 3.496 ( 7.754 -2.863 -1.484) 8.398 3.532 ( 11.461 -12.537 6.972) 18.362 3.907 ( 2.684 4.395 -2.691) 5.810 3.964 ( 0.917 -5.232 -6.899) 8.707 4.141 ( -5.320 2.629 -12.316) 13.671 4.215 ( -12.288 -5.215 -9.000) 16.100 4.539 ( 0.761 10.804 -4.423) 11.699 4.614 ( -0.815 2.750 4.029) 4.946 4.797 ( 2.754 -3.385 8.072) 9.176 4.814 ( 4.080 -3.393 10.031) 11.348 5.032 ( 6.269 14.854 12.179) 20.206 5.122 ( 1.055 7.529 -6.019) 9.697 5.230 ( 0.748 7.085 -4.703) 8.537 5.362 ( 4.289 -6.137 -3.653) 8.331 5.474 ( -0.899 11.609 -6.643) 13.405 5.676 ( 1.077 -8.345 9.433) 12.641 5.818 ( 1.051 5.988 -0.343) 6.089 5.900 ( -0.434 -3.465 1.585) 3.835 6.131 ( 0.053 7.586 -4.339) 8.740 6.311 ( 1.580 -6.615 -1.118) 6.893 6.407 ( -10.904 7.262 -2.477) 13.333 6.545 ( -2.367 -0.412 -12.479) 12.709 6.672 ( 2.236 4.436 -8.083) 9.487 6.751 ( 0.392 -5.129 -4.462) 6.809 6.849 ( 0.597 4.408 3.524) 5.675 7.023 ( -1.449 -5.687 1.171) 5.984 7.123 ( -0.782 1.163 3.299) 3.585 7.177 ( 0.042 -4.637 3.015) 5.531 7.449 ( -3.135 9.898 1.385) 10.474 7.577 ( 0.543 2.057 0.195) 2.137 7.694 ( -1.952 3.086 -0.762) 3.730 7.823 ( -1.072 2.708 -0.119) 2.915 7.886 ( -6.299 -8.273 -3.433) 10.951 8.021 ( -6.378 -3.915 -1.274) 7.591 8.102 ( 0.591 15.323 -3.830) 15.805 8.351 ( 2.151 10.037 1.680) 10.402 8.431 ( 6.591 -1.386 1.071) 6.820 8.548 ( 5.084 4.573 3.664) 7.758 8.782 ( 0.129 0.015 4.052) 4.054 8.913 ( 3.257 -8.512 -0.183) 9.116 9.075 ( -1.813 11.482 2.358) 11.861 9.182 ( 5.215 6.088 -2.392) 8.365 9.369 ( 0.195 -3.772 3.887) 5.420 9.793 ( -8.836 -30.146 -5.510) 31.894 10.624 ( -2.178 7.939 3.855) 9.090 10.779 ( -0.448 -5.501 2.153) 5.924 11.200 ( -1.190 2.578 -0.968) 3.000 11.276 ( -1.786 -3.692 -0.174) 4.105 11.781 ( -1.370 13.586 2.775) 13.934 11.982 ( -6.813 -2.449 -4.471) 8.509 12.523 ( 7.589 -3.270 2.475) 8.627 12.568 ( 0.862 -6.567 -0.116) 6.624 14.026 ( -0.430 4.592 1.447) 4.834 14.187 ( 0.822 -10.023 1.010) 10.108 14.536 ( 1.692 0.994 -0.326) 1.989 14.573 ( 2.353 -2.960 -1.028) 3.918 14.687 ( -3.368 7.530 -2.614) 8.653 14.865 ( 1.306 -5.655 -0.263) 5.810 15.095 ( -0.359 -2.609 0.140) 2.637 15.154 ( -1.544 -9.193 0.283) 9.326 15.300 ( 2.511 2.490 0.507) 3.573 15.387 ( 1.941 -6.145 0.157) 6.446 15.687 ( 1.341 3.962 -0.468) 4.209 15.779 ( 0.655 -4.186 -0.317) 4.249 24.608 ( -1.668 0.953 -1.337) 2.340 24.620 ( -1.293 -0.166 -1.433) 1.937 24.839 ( -2.790 2.940 -1.482) 4.316 24.888 ( -3.124 -1.563 -0.816) 3.587 25.017 ( -0.468 2.611 1.640) 3.119 25.089 ( 1.762 -4.306 0.442) 4.674 25.833 ( 0.629 3.487 2.385) 4.271 25.905 ( 0.942 -3.381 4.005) 5.325 26.744 ( 9.348 5.735 2.489) 11.246 26.835 ( 5.622 -0.772 -3.576) 6.707 27.133 ( 14.290 -0.232 5.820) 15.431 27.268 ( 8.205 -10.435 -5.600) 14.407 28.900 ( -1.621 4.029 1.274) 4.526 28.953 ( -1.468 -1.029 -0.157) 1.799 29.967 ( -10.620 15.535 -1.151) 18.853 30.212 ( -14.001 -6.994 -3.139) 15.963 ======================= Grid point 36 (22/104) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 2.690 15.165 9.349) 18.017 3.149 ( -6.812 2.617 0.519) 7.315 3.291 ( 5.787 10.250 8.508) 14.524 3.491 ( 7.861 -9.964 -4.226) 13.377 3.577 ( 10.102 3.074 3.419) 11.099 3.664 ( -6.123 1.477 -1.040) 6.384 3.810 ( -3.668 -4.675 -3.551) 6.923 3.937 ( 0.243 -6.906 0.083) 6.911 4.009 ( 0.093 -0.800 2.308) 2.445 4.087 ( 5.006 -2.193 -3.785) 6.648 4.488 ( -0.918 6.437 -5.438) 8.476 4.602 ( -2.348 -2.838 0.495) 3.717 4.761 ( -4.851 5.701 -4.617) 8.794 4.868 ( -3.171 -2.777 -0.334) 4.228 5.148 ( -2.062 9.099 1.402) 9.434 5.188 ( 2.547 6.382 2.746) 7.400 5.282 ( 3.319 6.306 0.677) 7.159 5.338 ( -0.016 10.438 -1.043) 10.490 5.558 ( 7.714 -6.213 7.068) 12.168 5.717 ( -5.661 -11.730 6.948) 14.762 5.816 ( -0.672 3.800 -1.618) 4.184 5.914 ( -0.993 -3.295 1.835) 3.900 6.157 ( -9.496 7.323 -2.770) 12.308 6.205 ( 4.490 6.554 -2.226) 8.251 6.342 ( 1.379 3.457 -3.758) 5.289 6.488 ( 12.270 -3.815 -0.828) 12.876 6.649 ( 2.979 8.818 -13.181) 16.136 6.773 ( 4.838 -2.988 -10.008) 11.510 6.911 ( 2.655 10.786 -0.190) 11.110 7.018 ( 8.216 -0.108 1.173) 8.300 7.222 ( 6.247 3.200 0.924) 7.080 7.290 ( 5.677 4.177 4.478) 8.351 7.477 ( -6.404 10.700 -4.708) 13.329 7.532 ( 8.045 -7.285 5.510) 12.172 7.735 ( 2.546 -7.275 3.270) 8.372 7.785 ( 0.239 -6.401 1.769) 6.646 7.850 ( 1.471 -4.849 5.200) 7.260 7.881 ( -4.876 -4.041 0.488) 6.352 8.100 ( 0.305 16.531 -1.077) 16.569 8.400 ( 1.808 -3.431 -0.064) 3.879 8.523 ( 2.544 8.731 1.562) 9.228 8.657 ( 3.085 5.465 2.668) 6.819 8.753 ( -6.572 5.438 -0.157) 8.532 8.882 ( -3.333 -3.241 -1.544) 4.899 9.005 ( -3.999 -0.551 -0.859) 4.128 9.240 ( -3.005 -8.694 -1.202) 9.277 9.359 ( -3.848 0.882 0.954) 4.062 9.601 ( -5.721 -16.678 -2.071) 17.753 10.625 ( -1.368 8.310 1.675) 8.587 10.789 ( -1.216 -6.211 1.848) 6.593 11.145 ( -4.906 3.134 -1.022) 5.911 11.171 ( -9.175 1.844 -0.297) 9.363 11.767 ( -1.877 5.369 -3.833) 6.859 11.788 ( -2.868 4.553 -3.209) 6.265 12.608 ( 4.873 0.945 0.375) 4.978 12.759 ( 9.442 -10.497 5.146) 15.027 14.039 ( 0.482 5.473 1.271) 5.639 14.210 ( 0.893 -10.118 0.410) 10.166 14.531 ( 1.291 8.344 -6.362) 10.572 14.626 ( 3.339 -3.446 0.359) 4.811 14.633 ( -2.101 1.686 2.600) 3.744 14.869 ( 0.362 -10.471 -2.047) 10.675 15.080 ( -2.190 -3.569 1.783) 4.551 15.100 ( -4.761 -8.207 1.573) 9.617 15.376 ( 3.750 0.359 1.383) 4.013 15.413 ( 1.260 -3.041 0.031) 3.292 15.733 ( 3.421 2.495 -0.247) 4.241 15.808 ( 2.281 -4.008 0.280) 4.621 24.572 ( -0.795 1.075 -1.117) 1.742 24.592 ( -0.519 -0.661 -1.185) 1.452 24.781 ( -2.437 2.546 -0.775) 3.609 24.827 ( -2.828 -1.626 -0.547) 3.308 25.028 ( 0.095 4.004 1.265) 4.200 25.129 ( 1.863 -5.556 0.637) 5.895 25.850 ( -1.207 3.575 2.201) 4.368 25.932 ( -1.870 -4.260 3.489) 5.815 26.856 ( 4.972 5.880 -7.482) 10.737 26.923 ( 8.980 1.094 -2.117) 9.291 27.372 ( 6.727 -2.048 -1.806) 7.261 27.465 ( 12.357 -9.442 7.644) 17.329 28.906 ( 0.954 3.916 1.688) 4.369 28.944 ( 0.994 0.183 -0.095) 1.015 29.747 ( -11.838 12.825 -1.323) 17.504 29.933 ( -13.228 -4.583 -2.136) 14.162 ======================= Grid point 37 (23/104) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -10.225 7.717 -1.060) 12.854 3.002 ( -3.719 -0.048 -3.197) 4.905 3.326 ( -7.176 10.017 1.704) 12.439 3.520 ( 1.122 -5.502 -6.251) 8.403 3.582 ( 2.359 0.137 1.091) 2.603 3.655 ( -2.182 -5.371 4.037) 7.064 3.961 ( 10.079 5.829 -0.330) 11.648 3.998 ( 2.122 10.051 7.463) 12.697 4.104 ( 9.909 -5.585 1.018) 11.420 4.223 ( 2.530 -7.877 11.976) 14.556 4.436 ( 2.311 5.863 -6.614) 9.136 4.563 ( 0.596 -5.918 -2.201) 6.342 4.683 ( -0.710 8.617 -1.724) 8.817 4.776 ( -3.031 -0.902 -3.039) 4.386 5.034 ( -7.150 4.478 -2.733) 8.868 5.080 ( -10.157 -1.350 -5.391) 11.578 5.253 ( -3.360 15.508 4.447) 16.479 5.480 ( 1.899 5.996 5.104) 8.099 5.575 ( -4.350 -7.051 -4.977) 9.665 5.697 ( -0.151 -9.753 3.986) 10.537 5.848 ( 0.121 4.354 3.172) 5.388 5.884 ( -3.018 2.608 3.453) 5.276 6.109 ( 3.215 4.383 2.614) 6.031 6.197 ( 0.639 -2.670 3.083) 4.128 6.418 ( 3.958 5.937 -9.503) 11.883 6.518 ( -6.081 -0.581 -12.909) 14.282 6.577 ( 4.246 10.476 -6.596) 13.087 6.745 ( 6.296 -3.529 -3.632) 8.080 7.085 ( 5.118 11.470 1.579) 12.659 7.196 ( 8.932 1.483 0.210) 9.057 7.323 ( 6.229 7.073 -1.195) 9.501 7.437 ( 4.632 0.148 -3.439) 5.771 7.523 ( 14.889 12.495 5.986) 20.338 7.707 ( -0.638 0.525 7.845) 7.889 7.781 ( 1.046 -10.659 3.774) 11.356 7.785 ( -0.023 -4.376 3.052) 5.335 7.942 ( 10.763 -3.370 -2.234) 11.497 7.975 ( 3.626 -5.662 4.955) 8.352 8.170 ( 3.912 6.626 7.650) 10.850 8.426 ( -1.301 -13.779 1.334) 13.905 8.480 ( -8.501 16.512 -1.282) 18.616 8.635 ( 0.277 10.272 -3.901) 10.991 8.666 ( -3.518 2.571 1.244) 4.532 8.868 ( 1.322 -3.335 0.022) 3.588 8.899 ( -3.227 -7.453 -3.965) 9.038 9.067 ( -9.715 -14.735 0.385) 17.653 9.297 ( -3.553 7.232 -2.038) 8.311 9.482 ( -7.295 -8.862 -1.968) 11.646 10.588 ( -3.072 7.027 -0.331) 7.676 10.745 ( -4.891 -7.024 0.662) 8.585 11.012 ( -5.887 4.084 -0.169) 7.166 11.025 ( -4.783 2.330 -1.482) 5.523 11.697 ( 0.715 9.260 -2.813) 9.704 11.810 ( 2.260 0.634 -0.673) 2.442 12.695 ( 3.475 6.232 0.568) 7.158 12.938 ( 5.659 -11.766 2.904) 13.375 14.062 ( 0.828 6.429 0.611) 6.511 14.224 ( 0.498 -8.741 -0.232) 8.758 14.495 ( 0.400 7.909 -3.626) 8.710 14.629 ( -0.509 -2.782 0.902) 2.968 14.694 ( 2.912 -2.934 0.801) 4.210 14.851 ( -0.024 -11.331 -1.860) 11.482 15.026 ( -4.442 -6.868 1.847) 8.385 15.058 ( -1.869 -4.839 1.654) 5.445 15.409 ( 0.431 1.829 -0.255) 1.897 15.471 ( 2.685 -3.608 1.914) 4.888 15.781 ( 1.954 2.069 -0.676) 2.925 15.856 ( 2.198 -4.629 0.460) 5.144 24.558 ( -0.003 0.956 -0.492) 1.075 24.579 ( -0.006 -0.917 -0.722) 1.167 24.738 ( -1.546 2.368 -0.303) 2.844 24.779 ( -1.827 -1.325 -0.323) 2.280 25.040 ( 0.219 4.934 0.705) 4.989 25.163 ( 1.208 -6.576 0.435) 6.700 25.837 ( -1.516 3.244 1.033) 3.727 25.912 ( -2.251 -3.832 1.498) 4.690 26.874 ( 3.216 7.795 -4.594) 9.603 27.047 ( 6.741 -6.918 -2.814) 10.061 27.446 ( 2.074 8.372 0.405) 8.635 27.697 ( 6.467 -13.508 4.394) 15.607 28.960 ( 2.926 4.559 1.376) 5.589 28.989 ( 3.508 1.733 0.149) 3.915 29.534 ( -9.410 11.569 -1.162) 14.958 29.711 ( -8.935 -5.194 -0.970) 10.380 ======================= Grid point 38 (24/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.000 8.526 0.000) 8.526 2.940 ( 0.000 -4.895 0.000) 4.895 3.254 ( 0.000 11.480 0.000) 11.480 3.478 ( 0.000 -6.342 0.000) 6.342 3.644 ( 0.000 -2.443 -0.000) 2.443 3.657 ( 0.000 -2.591 -0.000) 2.591 3.938 ( 0.000 13.474 -0.000) 13.474 4.182 ( 0.000 -7.677 -0.000) 7.677 4.263 ( -0.000 3.035 0.000) 3.035 4.272 ( 0.000 1.885 -0.000) 1.885 4.437 ( 0.000 3.896 0.000) 3.896 4.582 ( 0.000 -7.542 0.000) 7.542 4.681 ( 0.000 8.254 0.000) 8.254 4.730 ( 0.000 1.744 -0.000) 1.744 4.900 ( 0.000 -0.227 0.000) 0.227 4.945 ( 0.000 -5.221 0.000) 5.221 5.219 ( 0.000 19.064 0.000) 19.064 5.495 ( 0.000 -6.545 -0.000) 6.545 5.531 ( 0.000 7.429 0.000) 7.429 5.697 ( 0.000 -6.062 0.000) 6.062 5.832 ( 0.000 5.267 0.000) 5.267 5.908 ( 0.000 -3.157 0.000) 3.157 6.213 ( 0.000 4.560 0.000) 4.560 6.272 ( -0.000 5.418 -0.000) 5.418 6.288 ( 0.000 3.498 0.000) 3.498 6.376 ( 0.000 -7.183 -0.000) 7.183 6.614 ( 0.000 12.018 0.000) 12.018 6.806 ( 0.000 -6.601 0.000) 6.601 7.107 ( 0.000 13.630 -0.000) 13.630 7.279 ( 0.000 -2.199 0.000) 2.199 7.419 ( 0.000 8.210 -0.000) 8.210 7.439 ( 0.000 5.967 0.000) 5.967 7.715 ( 0.000 -4.702 0.000) 4.702 7.738 ( 0.000 11.251 0.000) 11.251 7.765 ( 0.000 -10.887 -0.000) 10.887 7.958 ( 0.000 7.017 0.000) 7.017 8.038 ( 0.000 4.235 -0.000) 4.235 8.043 ( -0.000 -7.535 0.000) 7.535 8.254 ( 0.000 1.187 0.000) 1.187 8.270 ( 0.000 -2.879 -0.000) 2.879 8.470 ( 0.000 1.976 0.000) 1.976 8.570 ( 0.000 -10.836 0.000) 10.836 8.677 ( 0.000 10.647 0.000) 10.647 8.825 ( 0.000 -1.929 0.000) 1.929 8.895 ( 0.000 -4.763 0.000) 4.763 9.011 ( 0.000 -11.099 0.000) 11.099 9.229 ( 0.000 6.091 0.000) 6.091 9.365 ( 0.000 -6.262 0.000) 6.262 10.549 ( 0.000 5.495 0.000) 5.495 10.685 ( -0.000 -6.553 0.000) 6.553 10.963 ( 0.000 3.784 0.000) 3.784 10.978 ( 0.000 2.246 0.000) 2.246 11.698 ( 0.000 10.211 0.000) 10.211 11.830 ( 0.000 0.260 0.000) 0.260 12.731 ( 0.000 8.181 0.000) 8.181 13.005 ( 0.000 -12.100 0.000) 12.100 14.074 ( 0.000 7.043 0.000) 7.043 14.226 ( 0.000 -7.810 0.000) 7.810 14.483 ( 0.000 5.818 -0.000) 5.818 14.627 ( 0.000 -3.523 -0.000) 3.523 14.729 ( 0.000 -4.311 0.000) 4.311 14.840 ( 0.000 -9.370 0.000) 9.370 14.991 ( 0.000 -6.487 0.000) 6.487 15.048 ( 0.000 -5.787 0.000) 5.787 15.411 ( 0.000 3.508 -0.000) 3.508 15.507 ( 0.000 -5.148 0.000) 5.148 15.794 ( 0.000 2.588 0.000) 2.588 15.880 ( 0.000 -5.162 0.000) 5.162 24.557 ( 0.000 0.819 0.000) 0.819 24.576 ( 0.000 -0.950 -0.000) 0.950 24.722 ( 0.000 2.307 0.000) 2.307 24.760 ( 0.000 -1.119 0.000) 1.119 25.046 ( 0.000 5.262 0.000) 5.262 25.177 ( 0.000 -6.978 0.000) 6.978 25.826 ( 0.000 3.039 0.000) 3.039 25.896 ( 0.000 -3.462 0.000) 3.462 26.883 ( 0.000 8.395 0.000) 8.395 27.099 ( 0.000 -11.666 0.000) 11.666 27.464 ( 0.000 13.870 0.000) 13.870 27.776 ( 0.000 -15.043 0.000) 15.043 29.003 ( 0.000 5.409 0.000) 5.409 29.035 ( 0.000 2.360 0.000) 2.360 29.429 ( 0.000 11.473 0.000) 11.473 29.618 ( 0.000 -6.362 0.000) 6.362 ======================= Grid point 77 (25/104) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.828 0.000 30.791) 30.846 0.854 ( -2.557 0.000 38.683) 38.768 1.605 ( 6.149 0.000 71.855) 72.117 2.512 ( 3.305 0.000 -23.623) 23.853 2.964 ( -3.129 0.000 -21.231) 21.460 3.541 ( 1.276 0.000 24.735) 24.768 3.715 ( -2.069 0.000 7.921) 8.187 3.802 ( -1.724 0.000 21.415) 21.484 4.071 ( -0.666 0.000 0.394) 0.774 4.238 ( 1.957 0.000 -1.966) 2.774 4.317 ( -4.133 0.000 -1.502) 4.398 4.589 ( 1.658 0.000 0.807) 1.844 4.598 ( 5.392 0.000 2.164) 5.810 4.821 ( 3.444 0.000 -3.624) 5.000 4.888 ( -6.098 0.000 2.772) 6.699 4.986 ( -6.460 0.000 0.814) 6.511 5.084 ( -0.467 0.000 0.192) 0.505 5.382 ( 9.221 0.000 -10.384) 13.887 5.475 ( -3.396 0.000 5.090) 6.119 5.583 ( -8.929 0.000 0.375) 8.937 5.729 ( -2.650 0.000 -2.765) 3.830 5.838 ( 1.372 0.000 -4.326) 4.538 5.931 ( -7.239 0.000 -4.642) 8.599 6.139 ( -3.265 0.000 -26.604) 26.803 6.143 ( -9.627 0.000 -0.401) 9.636 6.280 ( 2.188 0.000 -13.594) 13.769 6.430 ( 2.980 0.000 -4.312) 5.242 6.659 ( -1.640 0.000 -7.905) 8.074 6.772 ( 11.690 0.000 2.621) 11.980 7.154 ( -1.698 0.000 -0.189) 1.709 7.176 ( -0.353 0.000 -9.231) 9.238 7.214 ( 0.185 0.000 9.344) 9.346 7.352 ( -1.130 0.000 -15.631) 15.672 7.484 ( -15.444 0.000 6.964) 16.942 7.585 ( -2.733 0.000 1.394) 3.068 7.763 ( -3.968 0.000 -0.452) 3.994 7.907 ( 0.974 0.000 -7.846) 7.907 7.972 ( -0.628 0.000 1.671) 1.785 8.095 ( 0.411 0.000 4.618) 4.636 8.305 ( -8.557 0.000 7.934) 11.670 8.351 ( 5.913 0.000 2.619) 6.467 8.429 ( 2.533 0.000 1.301) 2.848 8.689 ( -1.661 0.000 2.267) 2.810 8.844 ( 8.666 0.000 4.914) 9.962 8.927 ( 0.606 0.000 -2.158) 2.242 9.255 ( -7.624 0.000 -4.041) 8.629 9.376 ( 0.314 0.000 18.824) 18.827 10.471 ( 5.036 0.000 -1.826) 5.356 10.730 ( 21.174 0.000 2.264) 21.295 10.949 ( 0.784 0.000 0.627) 1.004 11.155 ( -3.974 0.000 -2.571) 4.733 11.282 ( -1.192 0.000 -1.304) 1.767 11.873 ( 4.133 0.000 0.520) 4.165 12.144 ( -5.323 0.000 -1.834) 5.630 12.245 ( -3.006 0.000 3.081) 4.305 12.567 ( 5.871 0.000 -4.735) 7.542 14.172 ( 2.980 0.000 -0.512) 3.024 14.275 ( -22.483 0.000 -2.670) 22.641 14.633 ( -1.521 0.000 3.588) 3.897 14.805 ( 2.986 0.000 -0.045) 2.987 14.936 ( -4.812 0.000 3.240) 5.801 15.201 ( 6.037 0.000 -1.520) 6.225 15.243 ( 2.740 0.000 -1.686) 3.217 15.301 ( 11.218 0.000 2.301) 11.452 15.361 ( -4.456 0.000 0.497) 4.484 15.465 ( 2.789 0.000 -10.608) 10.968 15.962 ( 0.853 0.000 7.156) 7.207 16.125 ( -0.325 0.000 0.665) 0.740 24.569 ( 1.048 0.000 -0.879) 1.368 24.608 ( -1.210 0.000 -0.728) 1.412 24.746 ( -2.119 0.000 2.918) 3.606 24.911 ( 1.653 0.000 -1.584) 2.290 25.055 ( -1.963 0.000 4.309) 4.735 25.466 ( 2.365 0.000 -4.711) 5.271 25.814 ( -52.475 0.000 0.671) 52.479 25.820 ( 5.326 0.000 0.935) 5.408 26.449 ( 0.080 0.000 2.706) 2.707 26.822 ( 0.726 0.000 -5.486) 5.534 27.869 ( -5.929 0.000 2.601) 6.474 28.097 ( 28.500 0.000 -2.630) 28.621 28.605 ( -1.149 0.000 1.379) 1.795 28.627 ( 0.537 0.000 1.226) 1.338 29.077 ( -3.946 0.000 1.934) 4.394 29.302 ( 33.200 0.000 -2.453) 33.290 ======================= Grid point 78 (26/104) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 28.537 0.000 21.732) 35.870 1.355 ( 17.183 0.000 31.101) 35.532 2.533 ( 22.866 0.000 57.541) 61.917 2.546 ( 22.728 0.000 -22.588) 32.043 2.774 ( 5.178 0.000 -19.927) 20.589 3.601 ( -13.522 0.000 15.761) 20.767 3.844 ( 3.706 0.000 6.967) 7.892 3.923 ( -2.771 0.000 10.623) 10.978 4.059 ( -0.326 0.000 3.134) 3.151 4.254 ( -0.820 0.000 1.597) 1.795 4.352 ( 4.385 0.000 -3.091) 5.365 4.639 ( 2.535 0.000 2.018) 3.240 4.696 ( 2.967 0.000 3.425) 4.532 4.785 ( -2.964 0.000 -0.751) 3.058 4.822 ( -9.642 0.000 -3.205) 10.161 4.942 ( 10.017 0.000 -2.277) 10.273 5.096 ( -2.649 0.000 3.474) 4.369 5.353 ( -8.179 0.000 5.620) 9.924 5.360 ( -10.105 0.000 -0.923) 10.147 5.481 ( 7.359 0.000 -4.270) 8.508 5.608 ( -16.065 0.000 -2.211) 16.216 5.698 ( 4.477 0.000 -21.295) 21.760 5.742 ( 3.284 0.000 -11.998) 12.439 5.988 ( -8.629 0.000 8.012) 11.775 6.025 ( 2.411 0.000 -3.326) 4.108 6.354 ( -2.718 0.000 -10.010) 10.373 6.396 ( 10.050 0.000 -3.150) 10.532 6.602 ( 4.359 0.000 -7.977) 9.090 6.915 ( -0.251 0.000 4.025) 4.032 7.043 ( -3.069 0.000 -15.404) 15.707 7.066 ( -3.501 0.000 -3.291) 4.805 7.194 ( -3.541 0.000 -4.989) 6.118 7.251 ( -9.104 0.000 9.856) 13.417 7.440 ( 5.382 0.000 2.237) 5.829 7.546 ( -1.002 0.000 1.494) 1.799 7.785 ( 4.413 0.000 1.830) 4.778 7.852 ( -2.726 0.000 -5.083) 5.768 7.949 ( 1.447 0.000 -3.675) 3.950 8.212 ( 2.198 0.000 5.864) 6.262 8.292 ( 2.535 0.000 1.716) 3.061 8.408 ( -2.010 0.000 2.049) 2.870 8.515 ( 3.748 0.000 4.474) 5.836 8.717 ( 0.884 0.000 3.157) 3.279 8.884 ( -1.187 0.000 -3.724) 3.908 9.091 ( 10.760 0.000 6.274) 12.456 9.139 ( 1.814 0.000 -7.552) 7.766 9.525 ( -4.844 0.000 23.208) 23.708 10.573 ( 4.863 0.000 1.478) 5.083 10.828 ( -18.498 0.000 0.213) 18.500 10.854 ( -7.908 0.000 -5.726) 9.763 10.971 ( 5.543 0.000 -9.071) 10.630 11.247 ( -4.596 0.000 -1.712) 4.904 11.895 ( -16.089 0.000 -5.878) 17.129 11.905 ( -3.379 0.000 7.804) 8.504 12.246 ( 2.507 0.000 0.293) 2.524 12.667 ( 8.312 0.000 -3.787) 9.134 14.016 ( -8.977 0.000 2.198) 9.242 14.262 ( 5.075 0.000 1.430) 5.273 14.747 ( 6.861 0.000 3.255) 7.594 14.885 ( -1.220 0.000 5.496) 5.630 14.937 ( 7.920 0.000 -1.713) 8.104 15.200 ( 0.672 0.000 -4.062) 4.117 15.253 ( -0.345 0.000 1.130) 1.181 15.314 ( 0.593 0.000 -3.362) 3.414 15.358 ( 1.163 0.000 -6.069) 6.179 15.576 ( 10.727 0.000 -2.138) 10.938 16.031 ( -0.020 0.000 6.053) 6.053 16.110 ( -1.721 0.000 0.117) 1.725 24.571 ( -1.531 0.000 -1.464) 2.118 24.574 ( -0.248 0.000 0.498) 0.556 24.732 ( -1.950 0.000 2.079) 2.850 24.915 ( -0.003 0.000 -1.158) 1.158 25.062 ( -2.954 0.000 5.100) 5.894 25.390 ( -9.198 0.000 8.664) 12.636 25.484 ( 4.059 0.000 -4.446) 6.020 26.003 ( 10.808 0.000 5.287) 12.032 26.512 ( 3.360 0.000 3.342) 4.739 26.743 ( -3.563 0.000 -5.855) 6.854 27.765 ( -5.458 0.000 -1.355) 5.624 28.279 ( 4.295 0.000 -4.859) 6.485 28.587 ( -1.969 0.000 1.009) 2.212 28.647 ( 0.189 0.000 1.994) 2.003 29.000 ( -4.921 0.000 -0.755) 4.978 29.669 ( 14.416 0.000 -12.144) 18.849 ======================= Grid point 79 (27/104) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 23.556 0.000 16.005) 28.479 1.959 ( 20.296 0.000 23.029) 30.696 2.749 ( 11.774 0.000 -13.635) 18.015 2.750 ( 16.178 0.000 -23.573) 28.591 3.374 ( 17.508 0.000 28.298) 33.276 3.475 ( -11.756 0.000 12.124) 16.888 3.856 ( -7.895 0.000 2.739) 8.356 3.885 ( 0.851 0.000 -2.097) 2.263 4.134 ( 2.058 0.000 0.611) 2.146 4.152 ( -7.299 0.000 -12.136) 14.162 4.319 ( -4.106 0.000 2.099) 4.611 4.647 ( -6.839 0.000 6.156) 9.202 4.731 ( 4.713 0.000 3.058) 5.618 4.788 ( 6.415 0.000 -2.251) 6.798 4.829 ( -1.101 0.000 -2.009) 2.290 4.936 ( -14.474 0.000 5.965) 15.655 5.009 ( -1.872 0.000 11.773) 11.921 5.261 ( 5.074 0.000 -7.081) 8.711 5.305 ( -7.183 0.000 4.039) 8.241 5.441 ( -5.140 0.000 8.336) 9.793 5.559 ( 3.104 0.000 -1.758) 3.568 5.710 ( 5.902 0.000 -6.946) 9.115 5.722 ( 13.700 0.000 -17.361) 22.115 5.967 ( -3.246 0.000 6.999) 7.715 5.975 ( -4.824 0.000 -1.870) 5.174 6.304 ( 6.749 0.000 -6.798) 9.579 6.474 ( 2.906 0.000 -4.063) 4.995 6.657 ( 7.201 0.000 -8.336) 11.016 6.839 ( -0.784 0.000 -9.370) 9.403 6.850 ( -6.969 0.000 2.207) 7.310 7.010 ( -3.393 0.000 1.323) 3.642 7.180 ( -1.770 0.000 3.420) 3.851 7.181 ( 6.533 0.000 -2.327) 6.935 7.587 ( 1.708 0.000 4.569) 4.878 7.637 ( 10.001 0.000 6.854) 12.124 7.737 ( -4.354 0.000 -2.448) 4.995 7.926 ( 8.265 0.000 1.319) 8.370 7.967 ( 4.014 0.000 -5.113) 6.500 8.265 ( -0.646 0.000 4.643) 4.688 8.319 ( -2.118 0.000 0.770) 2.254 8.418 ( 2.851 0.000 -0.956) 3.007 8.570 ( -3.299 0.000 3.461) 4.781 8.761 ( 1.175 0.000 2.768) 3.007 8.864 ( 2.137 0.000 -3.376) 3.996 9.142 ( 6.579 0.000 -9.422) 11.491 9.220 ( -3.331 0.000 4.786) 5.832 9.694 ( -0.240 0.000 23.242) 23.243 10.345 ( -25.722 0.000 -5.139) 26.231 10.585 ( -12.637 0.000 -9.933) 16.073 10.696 ( 8.368 0.000 -8.219) 11.729 10.996 ( -3.228 0.000 5.916) 6.739 11.065 ( -8.906 0.000 -6.371) 10.950 11.544 ( -14.038 0.000 -7.117) 15.739 11.871 ( -9.874 0.000 9.149) 13.461 12.384 ( 10.985 0.000 1.433) 11.078 12.770 ( 7.327 0.000 -4.821) 8.771 13.912 ( -5.775 0.000 3.202) 6.603 14.348 ( 2.951 0.000 1.372) 3.255 14.877 ( -3.994 0.000 5.089) 6.469 14.889 ( 5.422 0.000 1.413) 5.603 15.077 ( 4.795 0.000 -0.739) 4.852 15.174 ( 1.637 0.000 -4.800) 5.072 15.278 ( 0.551 0.000 -5.048) 5.078 15.347 ( 2.302 0.000 -2.839) 3.655 15.367 ( 10.488 0.000 3.921) 11.197 15.736 ( 7.982 0.000 -0.405) 7.993 16.065 ( -2.762 0.000 -0.753) 2.863 16.070 ( -0.876 0.000 3.961) 4.057 24.534 ( -0.786 0.000 -1.458) 1.656 24.572 ( -0.988 0.000 1.477) 1.777 24.714 ( -1.564 0.000 0.886) 1.798 24.885 ( -2.157 0.000 -1.127) 2.434 25.035 ( -5.479 0.000 6.932) 8.836 25.416 ( 2.726 0.000 3.886) 4.747 25.524 ( 4.809 0.000 -4.704) 6.727 26.249 ( 6.906 0.000 6.691) 9.616 26.606 ( -3.893 0.000 -4.758) 6.148 26.622 ( 5.321 0.000 2.882) 6.051 27.685 ( -0.128 0.000 -2.780) 2.783 28.275 ( 0.267 0.000 -3.494) 3.505 28.555 ( -2.396 0.000 0.794) 2.524 28.675 ( 0.505 0.000 2.725) 2.771 28.897 ( -4.583 0.000 -2.064) 5.027 29.727 ( 4.653 0.000 -8.997) 10.129 ======================= Grid point 80 (28/104) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 17.572 0.000 7.907) 19.269 2.439 ( 5.892 0.000 10.803) 12.305 2.644 ( 0.633 0.000 -7.504) 7.531 2.917 ( 15.884 0.000 -6.931) 17.330 3.390 ( -4.241 0.000 -4.205) 5.972 3.471 ( -12.467 0.000 -3.755) 13.020 3.776 ( -6.669 0.000 -21.591) 22.597 3.833 ( -5.003 0.000 6.091) 7.882 4.032 ( 7.742 0.000 6.032) 9.814 4.089 ( -2.754 0.000 -4.209) 5.030 4.377 ( 4.284 0.000 10.273) 11.131 4.609 ( -7.687 0.000 -2.656) 8.133 4.665 ( -7.707 0.000 1.111) 7.787 4.716 ( -11.375 0.000 16.920) 20.388 4.859 ( 1.112 0.000 6.737) 6.828 4.927 ( 7.214 0.000 1.286) 7.328 5.153 ( -8.406 0.000 -3.696) 9.183 5.271 ( 4.407 0.000 16.178) 16.768 5.276 ( 1.392 0.000 -4.495) 4.706 5.454 ( -3.694 0.000 13.804) 14.289 5.544 ( 0.502 0.000 -7.120) 7.138 5.776 ( 8.872 0.000 -11.075) 14.191 5.800 ( 6.068 0.000 -2.618) 6.609 5.896 ( -4.933 0.000 -0.162) 4.935 5.974 ( -5.122 0.000 4.354) 6.722 6.362 ( 2.390 0.000 -5.909) 6.374 6.525 ( 10.419 0.000 0.992) 10.466 6.640 ( 13.017 0.000 -15.535) 20.267 6.819 ( 1.433 0.000 1.884) 2.367 6.950 ( -5.130 0.000 4.561) 6.864 7.002 ( 14.938 0.000 2.885) 15.214 7.267 ( 9.026 0.000 -0.983) 9.080 7.384 ( 16.060 0.000 -2.804) 16.303 7.657 ( -3.139 0.000 8.043) 8.634 7.687 ( 2.665 0.000 -0.896) 2.811 7.887 ( 9.025 0.000 7.949) 12.026 7.987 ( 2.184 0.000 -3.207) 3.880 8.071 ( 6.542 0.000 -0.603) 6.570 8.275 ( -0.253 0.000 -4.171) 4.178 8.295 ( -0.351 0.000 3.793) 3.809 8.425 ( -1.711 0.000 0.515) 1.787 8.472 ( -7.318 0.000 -2.056) 7.601 8.805 ( -0.858 0.000 4.162) 4.249 8.862 ( -0.137 0.000 -1.642) 1.648 9.140 ( -7.230 0.000 2.526) 7.658 9.175 ( 4.774 0.000 -8.353) 9.621 9.789 ( -12.358 0.000 12.393) 17.501 9.809 ( -24.359 0.000 -8.199) 25.702 10.339 ( -1.784 0.000 -4.488) 4.830 10.757 ( 5.210 0.000 -5.536) 7.602 10.864 ( -6.090 0.000 -6.237) 8.717 10.927 ( -9.766 0.000 3.423) 10.348 11.316 ( -4.924 0.000 -2.218) 5.401 11.732 ( -11.406 0.000 4.655) 12.320 12.607 ( 9.858 0.000 2.873) 10.268 12.852 ( 6.681 0.000 -4.731) 8.186 13.854 ( -4.671 0.000 4.521) 6.501 14.411 ( 2.801 0.000 1.534) 3.194 14.833 ( -4.888 0.000 2.869) 5.668 14.956 ( 2.188 0.000 -1.173) 2.483 15.125 ( 1.374 0.000 -0.364) 1.422 15.180 ( 3.162 0.000 -3.990) 5.091 15.230 ( 0.042 0.000 -3.510) 3.511 15.392 ( 3.530 0.000 0.942) 3.654 15.627 ( 11.221 0.000 3.654) 11.801 15.849 ( 4.842 0.000 -1.069) 4.958 15.999 ( -3.092 0.000 -1.785) 3.571 16.072 ( -1.405 0.000 1.223) 1.863 24.522 ( 0.825 0.000 -0.928) 1.241 24.568 ( -1.276 0.000 2.171) 2.518 24.691 ( -1.211 0.000 -0.224) 1.231 24.819 ( -3.681 0.000 -1.175) 3.864 25.004 ( -5.146 0.000 7.381) 8.998 25.509 ( 3.148 0.000 3.452) 4.672 25.566 ( 4.920 0.000 -5.457) 7.348 26.240 ( -8.158 0.000 -0.646) 8.184 26.635 ( 6.664 0.000 0.812) 6.714 26.746 ( 5.624 0.000 1.646) 5.860 27.719 ( 4.047 0.000 1.004) 4.169 28.236 ( -1.117 0.000 -2.860) 3.071 28.521 ( -1.859 0.000 0.454) 1.914 28.706 ( 0.441 0.000 0.009) 0.441 28.814 ( -3.086 0.000 1.602) 3.477 29.709 ( 2.307 0.000 -7.728) 8.065 ======================= Grid point 81 (29/104) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -9.944 0.000 5.489) 11.358 2.743 ( 13.576 0.000 2.444) 13.794 2.823 ( 3.724 0.000 5.616) 6.739 3.098 ( -5.815 0.000 -2.082) 6.177 3.200 ( 3.375 0.000 -6.042) 6.921 3.282 ( 0.934 0.000 -12.672) 12.706 3.544 ( 3.384 0.000 -11.967) 12.437 3.748 ( -3.921 0.000 -0.456) 3.948 3.989 ( -3.004 0.000 -4.086) 5.072 4.209 ( -0.921 0.000 2.143) 2.332 4.434 ( -5.905 0.000 7.340) 9.420 4.541 ( -7.364 0.000 4.875) 8.831 4.562 ( -0.204 0.000 10.078) 10.080 4.698 ( -5.418 0.000 3.575) 6.491 4.922 ( 1.318 0.000 3.343) 3.593 4.968 ( -2.555 0.000 -6.307) 6.805 5.063 ( 2.323 0.000 5.586) 6.050 5.271 ( 2.130 0.000 0.484) 2.185 5.348 ( -1.809 0.000 0.084) 1.811 5.450 ( -2.989 0.000 -6.096) 6.789 5.611 ( -3.084 0.000 17.327) 17.600 5.737 ( -9.475 0.000 2.603) 9.826 5.756 ( -3.863 0.000 -3.256) 5.052 5.928 ( 9.530 0.000 -0.710) 9.557 5.951 ( 2.293 0.000 7.542) 7.883 6.304 ( -1.592 0.000 -2.081) 2.620 6.799 ( 8.206 0.000 -3.896) 9.084 6.860 ( 2.811 0.000 0.504) 2.856 6.860 ( 20.397 0.000 -12.949) 24.160 6.981 ( 3.159 0.000 8.457) 9.028 7.303 ( 14.862 0.000 -1.108) 14.903 7.490 ( 16.987 0.000 -0.110) 16.988 7.614 ( 9.563 0.000 -0.977) 9.613 7.676 ( 2.868 0.000 0.738) 2.962 7.722 ( -2.274 0.000 3.257) 3.972 7.981 ( -0.618 0.000 -0.886) 1.080 8.057 ( 0.558 0.000 2.860) 2.914 8.144 ( 2.198 0.000 -1.171) 2.491 8.246 ( 2.434 0.000 -8.967) 9.291 8.298 ( -6.212 0.000 -4.586) 7.721 8.325 ( 0.417 0.000 4.331) 4.351 8.417 ( -2.046 0.000 7.728) 7.994 8.762 ( -7.492 0.000 -0.619) 7.518 8.829 ( -1.631 0.000 -1.625) 2.302 9.007 ( -6.055 0.000 -1.296) 6.192 9.117 ( -2.757 0.000 -9.147) 9.553 9.412 ( -11.000 0.000 -1.464) 11.097 9.580 ( -13.035 0.000 3.111) 13.401 10.377 ( 2.146 0.000 1.904) 2.869 10.726 ( -5.557 0.000 -5.540) 7.847 10.752 ( -1.400 0.000 -1.240) 1.870 10.819 ( 1.479 0.000 -0.628) 1.607 11.292 ( -0.135 0.000 3.569) 3.572 11.574 ( -8.293 0.000 1.688) 8.463 12.766 ( 4.715 0.000 2.056) 5.144 12.924 ( 5.238 0.000 -3.436) 6.264 13.824 ( -3.644 0.000 5.441) 6.548 14.468 ( 1.272 0.000 0.535) 1.379 14.762 ( -3.498 0.000 -0.049) 3.499 14.969 ( 1.094 0.000 -1.671) 1.997 15.109 ( -0.092 0.000 -3.246) 3.247 15.207 ( 3.430 0.000 -3.146) 4.655 15.261 ( 1.874 0.000 5.026) 5.364 15.472 ( 2.248 0.000 3.169) 3.886 15.804 ( 5.849 0.000 0.811) 5.905 15.887 ( 1.439 0.000 -2.519) 2.901 15.925 ( -2.645 0.000 -2.803) 3.854 16.044 ( -1.327 0.000 -2.086) 2.472 24.548 ( 2.393 0.000 -0.221) 2.403 24.564 ( -1.473 0.000 2.370) 2.791 24.670 ( -0.363 0.000 -0.857) 0.931 24.740 ( -3.553 0.000 -0.963) 3.681 24.984 ( -4.570 0.000 7.459) 8.748 25.584 ( 1.109 0.000 4.219) 4.363 25.602 ( 4.773 0.000 -6.117) 7.759 26.090 ( -5.532 0.000 -1.793) 5.815 26.745 ( 3.909 0.000 0.558) 3.948 26.842 ( 3.511 0.000 0.235) 3.519 27.809 ( 2.318 0.000 4.140) 4.745 28.193 ( -0.659 0.000 -2.218) 2.314 28.497 ( -0.941 0.000 0.040) 0.942 28.664 ( -1.117 0.000 -5.260) 5.377 28.839 ( -0.635 0.000 8.284) 8.308 29.679 ( 2.338 0.000 -7.645) 7.995 ======================= Grid point 82 (30/104) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -0.086 0.000 14.619) 14.620 2.745 ( -18.161 0.000 -6.686) 19.352 2.886 ( -3.188 0.000 7.165) 7.842 3.005 ( 12.881 0.000 -1.852) 13.014 3.155 ( 4.556 0.000 -18.228) 18.788 3.370 ( 9.084 0.000 0.580) 9.103 3.634 ( 9.915 0.000 -7.120) 12.207 3.705 ( -2.995 0.000 2.917) 4.181 3.950 ( 2.507 0.000 -1.044) 2.716 4.127 ( -4.732 0.000 4.431) 6.482 4.448 ( -3.520 0.000 2.941) 4.587 4.456 ( -1.441 0.000 4.664) 4.881 4.549 ( -9.108 0.000 -3.705) 9.833 4.575 ( -1.725 0.000 -3.462) 3.868 4.925 ( -3.022 0.000 4.078) 5.076 4.982 ( 1.563 0.000 1.305) 2.037 5.163 ( -9.283 0.000 -8.416) 12.531 5.192 ( 1.436 0.000 3.138) 3.451 5.359 ( 7.146 0.000 -3.724) 8.058 5.453 ( 3.205 0.000 11.289) 11.735 5.478 ( -9.249 0.000 9.760) 13.446 5.678 ( -0.594 0.000 -2.875) 2.936 5.848 ( 1.252 0.000 9.465) 9.547 6.100 ( 0.577 0.000 15.858) 15.869 6.107 ( 10.406 0.000 -2.611) 10.729 6.290 ( -2.045 0.000 5.994) 6.333 6.810 ( -0.349 0.000 -3.384) 3.402 6.897 ( 2.745 0.000 -0.280) 2.759 6.976 ( -11.320 0.000 -1.213) 11.385 7.041 ( 9.903 0.000 -10.135) 14.170 7.411 ( -0.134 0.000 -4.920) 4.921 7.617 ( -3.813 0.000 -6.698) 7.707 7.784 ( 2.666 0.000 7.663) 8.114 7.795 ( 5.635 0.000 0.751) 5.685 7.797 ( 6.724 0.000 5.071) 8.421 7.923 ( -9.357 0.000 -4.510) 10.388 7.949 ( -1.360 0.000 -2.575) 2.912 8.077 ( 0.322 0.000 -6.533) 6.541 8.139 ( -7.613 0.000 -2.813) 8.116 8.258 ( 0.180 0.000 -1.012) 1.028 8.434 ( -1.676 0.000 -2.602) 3.095 8.439 ( 1.957 0.000 9.669) 9.865 8.579 ( -0.937 0.000 -2.914) 3.061 8.802 ( 1.879 0.000 -2.088) 2.809 9.009 ( 5.365 0.000 -9.459) 10.875 9.014 ( 2.369 0.000 2.174) 3.215 9.364 ( 1.953 0.000 3.667) 4.155 9.403 ( -6.580 0.000 -1.366) 6.720 10.389 ( -1.112 0.000 0.240) 1.138 10.603 ( -0.969 0.000 -6.466) 6.538 10.795 ( 3.720 0.000 3.525) 5.124 10.865 ( 3.391 0.000 -0.288) 3.404 11.346 ( 1.267 0.000 5.537) 5.680 11.486 ( -2.241 0.000 0.336) 2.267 12.809 ( -1.514 0.000 1.010) 1.820 12.970 ( 2.451 0.000 -2.303) 3.363 13.827 ( -2.042 0.000 6.831) 7.130 14.431 ( -2.639 0.000 -4.683) 5.375 14.745 ( 0.674 0.000 1.781) 1.904 14.970 ( 0.735 0.000 -1.963) 2.096 15.088 ( -0.265 0.000 -0.783) 0.827 15.249 ( 3.763 0.000 -1.740) 4.146 15.359 ( 1.987 0.000 7.612) 7.867 15.508 ( -2.223 0.000 4.090) 4.655 15.827 ( -3.619 0.000 -3.118) 4.777 15.874 ( 0.800 0.000 -3.804) 3.887 15.890 ( 2.908 0.000 -1.522) 3.282 15.978 ( -2.221 0.000 -5.486) 5.918 24.556 ( -1.459 0.000 1.687) 2.230 24.588 ( 0.956 0.000 0.549) 1.102 24.667 ( 0.800 0.000 -0.678) 1.049 24.694 ( 0.291 0.000 -0.824) 0.874 24.974 ( -4.233 0.000 7.585) 8.686 25.620 ( 3.404 0.000 -6.477) 7.317 25.628 ( -0.966 0.000 5.271) 5.359 26.027 ( 0.429 0.000 -1.842) 1.891 26.783 ( -0.281 0.000 0.492) 0.567 26.866 ( -0.771 0.000 -0.892) 1.179 27.865 ( -0.888 0.000 5.170) 5.246 28.181 ( 1.412 0.000 -1.714) 2.220 28.487 ( -0.124 0.000 -0.193) 0.229 28.598 ( -0.580 0.000 -5.080) 5.113 28.909 ( -0.790 0.000 9.088) 9.123 29.655 ( 3.196 0.000 -8.324) 8.917 ======================= Grid point 83 (31/104) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -22.222 0.000 -11.805) 25.164 2.522 ( 7.940 0.000 10.973) 13.545 2.659 ( -23.735 0.000 0.718) 23.745 3.203 ( 10.603 0.000 -6.014) 12.190 3.264 ( 18.661 0.000 -12.190) 22.289 3.441 ( -7.328 0.000 8.281) 11.058 3.732 ( 3.457 0.000 4.567) 5.728 3.738 ( 7.498 0.000 -1.464) 7.640 4.035 ( -8.200 0.000 -5.281) 9.753 4.045 ( 7.403 0.000 -2.199) 7.723 4.461 ( -3.007 0.000 0.933) 3.148 4.477 ( 4.753 0.000 -1.230) 4.910 4.523 ( 3.878 0.000 10.536) 11.228 4.554 ( 9.572 0.000 -2.133) 9.807 4.779 ( -13.883 0.000 -12.720) 18.829 4.887 ( -4.324 0.000 1.809) 4.687 4.959 ( -5.685 0.000 2.712) 6.299 5.342 ( 1.622 0.000 10.327) 10.453 5.437 ( -7.257 0.000 11.035) 13.207 5.461 ( 4.763 0.000 -0.938) 4.855 5.611 ( 6.397 0.000 -4.259) 7.685 5.760 ( 3.842 0.000 15.433) 15.904 5.913 ( 2.081 0.000 0.533) 2.149 6.130 ( -13.026 0.000 7.119) 14.845 6.186 ( 1.810 0.000 -6.405) 6.656 6.384 ( 5.019 0.000 10.451) 11.594 6.615 ( -14.861 0.000 -5.098) 15.711 6.797 ( -1.057 0.000 4.478) 4.601 6.985 ( -4.569 0.000 -13.217) 13.984 7.020 ( 4.703 0.000 8.619) 9.819 7.334 ( -6.137 0.000 3.732) 7.183 7.428 ( -5.396 0.000 -8.408) 9.991 7.663 ( -15.199 0.000 1.761) 15.301 7.703 ( -9.365 0.000 -7.632) 12.081 7.819 ( -3.614 0.000 -2.855) 4.606 7.838 ( -2.554 0.000 0.123) 2.557 7.934 ( 1.594 0.000 2.118) 2.651 8.038 ( -1.848 0.000 2.555) 3.154 8.084 ( 1.120 0.000 -5.218) 5.336 8.211 ( -3.541 0.000 -1.669) 3.915 8.455 ( -3.028 0.000 3.962) 4.987 8.485 ( 9.065 0.000 -4.987) 10.347 8.629 ( 1.950 0.000 4.646) 5.038 8.846 ( 3.205 0.000 -2.342) 3.969 8.984 ( -1.292 0.000 -5.755) 5.899 9.233 ( 20.173 0.000 -4.503) 20.669 9.357 ( 0.090 0.000 -2.601) 2.603 9.501 ( 9.574 0.000 4.867) 10.740 10.401 ( 2.893 0.000 2.313) 3.704 10.568 ( 4.172 0.000 -7.658) 8.721 10.918 ( 6.760 0.000 2.097) 7.078 10.925 ( 2.905 0.000 -0.300) 2.920 11.446 ( 4.067 0.000 6.591) 7.744 11.483 ( 1.622 0.000 -1.246) 2.046 12.735 ( -7.211 0.000 0.754) 7.250 12.966 ( -0.672 0.000 -2.112) 2.216 13.884 ( 0.098 0.000 9.766) 9.767 14.336 ( -1.314 0.000 -6.391) 6.525 14.784 ( 0.583 0.000 2.776) 2.837 14.946 ( -1.009 0.000 -3.763) 3.896 15.077 ( -0.515 0.000 -0.072) 0.520 15.309 ( 3.894 0.000 -0.794) 3.974 15.459 ( 0.662 0.000 7.788) 7.816 15.477 ( -5.032 0.000 4.601) 6.819 15.688 ( -8.048 0.000 -3.437) 8.752 15.842 ( -2.634 0.000 -3.388) 4.291 15.871 ( -0.216 0.000 -8.654) 8.657 15.939 ( 3.747 0.000 -1.069) 3.897 24.545 ( -0.829 0.000 0.577) 1.010 24.587 ( -1.100 0.000 1.432) 1.805 24.684 ( 1.467 0.000 -0.099) 1.471 24.736 ( 4.388 0.000 -1.339) 4.588 24.971 ( -3.876 0.000 7.880) 8.781 25.603 ( 1.321 0.000 -6.244) 6.382 25.651 ( -2.586 0.000 7.138) 7.592 26.051 ( 4.317 0.000 -4.474) 6.217 26.751 ( -3.702 0.000 1.632) 4.046 26.801 ( -4.948 0.000 -1.384) 5.138 27.885 ( -2.308 0.000 6.210) 6.625 28.207 ( 3.071 0.000 -2.136) 3.741 28.491 ( 0.680 0.000 0.017) 0.680 28.556 ( 0.564 0.000 -3.847) 3.888 28.974 ( -1.066 0.000 8.666) 8.731 29.638 ( 4.062 0.000 -10.125) 10.909 ======================= Grid point 84 (32/104) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -26.505 0.000 -10.443) 28.488 2.120 ( -34.189 0.000 1.153) 34.209 2.768 ( 12.142 0.000 -1.298) 12.211 3.219 ( -16.828 0.000 -8.508) 18.857 3.244 ( -9.473 0.000 6.020) 11.224 3.464 ( 13.158 0.000 -10.937) 17.110 3.736 ( -12.978 0.000 4.299) 13.671 3.851 ( 3.372 0.000 5.987) 6.871 3.974 ( 9.473 0.000 -0.458) 9.485 4.053 ( -1.517 0.000 -12.256) 12.349 4.405 ( -5.631 0.000 7.781) 9.605 4.521 ( 3.067 0.000 -12.059) 12.443 4.572 ( 5.343 0.000 -3.311) 6.286 4.770 ( 8.877 0.000 11.092) 14.207 4.828 ( -4.509 0.000 3.380) 5.635 4.870 ( 19.655 0.000 4.400) 20.142 4.888 ( -1.742 0.000 3.504) 3.913 5.399 ( -8.496 0.000 14.190) 16.539 5.428 ( -1.208 0.000 7.563) 7.659 5.446 ( -6.124 0.000 -1.655) 6.344 5.625 ( -1.509 0.000 -5.393) 5.600 5.769 ( -17.364 0.000 0.247) 17.366 5.917 ( -1.712 0.000 8.713) 8.880 6.052 ( 8.065 0.000 -2.381) 8.409 6.138 ( 0.933 0.000 -3.109) 3.246 6.395 ( -6.756 0.000 -3.683) 7.695 6.597 ( 7.259 0.000 4.542) 8.563 6.777 ( -3.231 0.000 -7.866) 8.503 6.896 ( 2.156 0.000 11.101) 11.309 7.170 ( -0.594 0.000 8.623) 8.644 7.201 ( -5.006 0.000 3.663) 6.203 7.422 ( 3.909 0.000 -4.582) 6.023 7.426 ( -10.753 0.000 4.533) 11.670 7.492 ( -2.456 0.000 -4.262) 4.919 7.685 ( -8.898 0.000 -0.528) 8.914 7.777 ( 0.010 0.000 -6.601) 6.601 7.982 ( -1.370 0.000 -10.700) 10.787 7.983 ( -3.222 0.000 9.814) 10.330 8.053 ( 1.287 0.000 0.577) 1.411 8.116 ( -5.154 0.000 -0.767) 5.211 8.512 ( 1.834 0.000 7.707) 7.922 8.546 ( 3.536 0.000 -5.630) 6.648 8.683 ( -1.686 0.000 4.653) 4.949 8.864 ( 1.939 0.000 -3.464) 3.970 8.987 ( 5.717 0.000 -3.286) 6.594 9.233 ( -9.288 0.000 -6.355) 11.254 9.397 ( 2.384 0.000 -2.548) 3.490 9.833 ( 19.350 0.000 0.560) 19.358 10.551 ( 9.510 0.000 2.837) 9.924 10.619 ( 9.447 0.000 -7.322) 11.953 10.940 ( 0.584 0.000 -4.225) 4.265 11.092 ( 11.009 0.000 1.171) 11.071 11.496 ( 2.083 0.000 -3.793) 4.328 11.632 ( 9.197 0.000 7.485) 11.857 12.579 ( -10.417 0.000 1.408) 10.512 12.904 ( -3.591 0.000 -3.060) 4.718 14.018 ( 2.416 0.000 14.634) 14.832 14.273 ( 0.328 0.000 -5.708) 5.717 14.805 ( -0.901 0.000 2.224) 2.399 14.853 ( -4.007 0.000 -6.150) 7.340 15.076 ( 0.875 0.000 -0.243) 0.909 15.370 ( 3.752 0.000 -1.840) 4.179 15.418 ( -5.083 0.000 2.091) 5.496 15.471 ( -10.096 0.000 -1.671) 10.233 15.524 ( -3.511 0.000 6.314) 7.224 15.715 ( -5.351 0.000 -3.276) 6.275 15.828 ( 1.201 0.000 -6.038) 6.157 16.004 ( 3.802 0.000 -0.249) 3.810 24.539 ( 0.103 0.000 -0.481) 0.492 24.590 ( -0.228 0.000 1.843) 1.857 24.714 ( 1.333 0.000 0.745) 1.527 24.804 ( 4.478 0.000 -2.048) 4.924 24.981 ( -2.996 0.000 8.129) 8.663 25.561 ( 0.316 0.000 -5.600) 5.609 25.678 ( -3.436 0.000 11.641) 12.137 26.046 ( 0.606 0.000 -8.597) 8.618 26.676 ( -6.947 0.000 -1.148) 7.041 26.717 ( -1.377 0.000 3.170) 3.456 27.904 ( -2.324 0.000 7.119) 7.489 28.236 ( 2.913 0.000 -4.525) 5.382 28.514 ( 1.505 0.000 0.780) 1.695 28.548 ( 1.612 0.000 -2.183) 2.713 29.032 ( -0.950 0.000 7.799) 7.856 29.604 ( 4.092 0.000 -14.408) 14.978 ======================= Grid point 85 (33/104) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -30.145 0.000 2.408) 30.241 1.478 ( -38.505 0.000 6.052) 38.977 2.444 ( -54.907 0.000 0.180) 54.907 2.896 ( 6.665 0.000 -10.691) 12.598 3.242 ( 1.636 0.000 1.833) 2.457 3.450 ( -9.846 0.000 1.862) 10.020 3.625 ( -0.855 0.000 3.753) 3.849 3.804 ( -12.282 0.000 -9.192) 15.341 3.966 ( 4.915 0.000 1.938) 5.283 4.152 ( 6.957 0.000 1.625) 7.145 4.419 ( 2.041 0.000 3.041) 3.663 4.562 ( -0.539 0.000 -3.513) 3.554 4.624 ( 7.770 0.000 -0.115) 7.771 4.776 ( -4.431 0.000 6.472) 7.843 4.926 ( -0.743 0.000 5.846) 5.893 5.038 ( 10.717 0.000 -2.367) 10.975 5.214 ( 7.938 0.000 0.220) 7.941 5.275 ( -8.974 0.000 7.309) 11.574 5.363 ( -5.984 0.000 17.225) 18.235 5.477 ( -3.640 0.000 -10.416) 11.034 5.481 ( 2.751 0.000 -9.914) 10.289 5.628 ( 2.352 0.000 14.155) 14.349 5.867 ( -3.843 0.000 -3.867) 5.451 6.194 ( 5.768 0.000 3.416) 6.704 6.211 ( 7.539 0.000 -0.363) 7.547 6.271 ( -3.068 0.000 -5.110) 5.960 6.647 ( -3.719 0.000 -2.237) 4.340 6.721 ( 2.485 0.000 -2.747) 3.704 7.033 ( 0.944 0.000 9.145) 9.194 7.094 ( -5.365 0.000 -3.548) 6.432 7.301 ( 12.089 0.000 -12.039) 17.061 7.308 ( -11.698 0.000 4.082) 12.390 7.357 ( -2.679 0.000 6.291) 6.838 7.599 ( 4.448 0.000 3.319) 5.550 7.616 ( -1.026 0.000 6.746) 6.824 7.743 ( 6.962 0.000 -8.827) 11.242 7.901 ( 0.842 0.000 -5.257) 5.324 8.017 ( -3.493 0.000 11.179) 11.712 8.059 ( 1.659 0.000 1.183) 2.037 8.080 ( 1.210 0.000 0.144) 1.219 8.561 ( 4.875 0.000 -6.064) 7.781 8.585 ( -2.784 0.000 6.660) 7.218 8.649 ( -8.597 0.000 9.136) 12.545 8.883 ( 2.445 0.000 1.387) 2.811 8.941 ( -12.331 0.000 -6.286) 13.841 9.088 ( 4.616 0.000 0.170) 4.619 9.326 ( -6.302 0.000 -4.541) 7.768 10.100 ( 11.797 0.000 -3.833) 12.404 10.739 ( 8.517 0.000 0.419) 8.527 10.740 ( 1.739 0.000 -0.204) 1.751 10.898 ( 9.759 0.000 -16.490) 19.162 11.314 ( 7.581 0.000 3.910) 8.530 11.512 ( 7.895 0.000 -7.226) 10.703 11.899 ( 11.617 0.000 7.524) 13.841 12.408 ( -9.656 0.000 2.673) 10.020 12.775 ( -6.471 0.000 -5.334) 8.385 14.228 ( -0.333 0.000 -4.640) 4.652 14.249 ( 5.234 0.000 20.595) 21.250 14.706 ( -5.057 0.000 -6.135) 7.951 14.796 ( -1.594 0.000 1.348) 2.088 15.102 ( 1.524 0.000 -0.387) 1.572 15.253 ( -10.647 0.000 0.295) 10.652 15.298 ( -3.575 0.000 -9.365) 10.024 15.413 ( -0.078 0.000 0.897) 0.901 15.509 ( -4.676 0.000 4.692) 6.624 15.600 ( -4.241 0.000 -3.715) 5.638 15.817 ( 1.157 0.000 0.315) 1.199 16.066 ( 2.783 0.000 0.476) 2.824 24.541 ( 1.036 0.000 -1.221) 1.601 24.609 ( 0.301 0.000 1.574) 1.603 24.741 ( 0.118 0.000 1.940) 1.943 24.857 ( 3.575 0.000 -2.489) 4.356 25.014 ( -1.497 0.000 7.529) 7.676 25.517 ( 0.274 0.000 -4.900) 4.907 25.787 ( 0.062 0.000 23.671) 23.671 25.923 ( -4.237 0.000 -8.169) 9.203 26.545 ( -6.249 0.000 -0.318) 6.257 26.762 ( 3.341 0.000 0.877) 3.454 27.926 ( -2.687 0.000 6.879) 7.385 28.205 ( 0.612 0.000 -11.623) 11.639 28.556 ( 1.640 0.000 1.614) 2.301 28.570 ( 1.959 0.000 -0.605) 2.050 29.081 ( -1.122 0.000 6.513) 6.609 29.484 ( 0.496 0.000 -23.758) 23.763 ======================= Grid point 86 (34/104) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -23.668 0.000 29.976) 38.193 0.913 ( -33.898 0.000 22.533) 40.704 1.469 ( -55.578 0.000 30.413) 63.355 2.770 ( -4.278 0.000 -20.273) 20.720 3.224 ( -1.614 0.000 -17.542) 17.616 3.357 ( -6.028 0.000 16.753) 17.805 3.627 ( -4.946 0.000 17.866) 18.538 3.672 ( -0.687 0.000 7.576) 7.607 4.050 ( 2.481 0.000 0.944) 2.655 4.224 ( 2.634 0.000 -3.150) 4.106 4.483 ( 2.179 0.000 0.027) 2.179 4.556 ( 1.704 0.000 -0.513) 1.780 4.565 ( -12.723 0.000 2.782) 13.023 4.864 ( -4.330 0.000 -1.746) 4.669 4.875 ( 7.036 0.000 -1.572) 7.209 5.065 ( -4.637 0.000 3.568) 5.851 5.142 ( -8.406 0.000 5.297) 9.935 5.359 ( 5.001 0.000 -11.346) 12.399 5.400 ( 5.131 0.000 5.418) 7.462 5.485 ( 10.106 0.000 -9.372) 13.783 5.662 ( 16.673 0.000 8.625) 18.771 5.806 ( 2.342 0.000 -3.853) 4.509 5.900 ( 9.684 0.000 12.899) 16.129 6.140 ( -7.393 0.000 -0.241) 7.397 6.335 ( 7.355 0.000 -6.282) 9.673 6.337 ( 2.826 0.000 9.182) 9.607 6.479 ( -6.134 0.000 -12.131) 13.594 6.733 ( 0.361 0.000 -3.627) 3.645 6.844 ( -7.912 0.000 -17.353) 19.071 7.151 ( 0.207 0.000 3.019) 3.026 7.188 ( -4.550 0.000 6.484) 7.921 7.260 ( 2.419 0.000 -13.140) 13.360 7.453 ( 1.589 0.000 -1.351) 2.086 7.597 ( 1.996 0.000 -7.175) 7.448 7.621 ( -0.608 0.000 -2.798) 2.864 7.878 ( -2.195 0.000 0.961) 2.396 7.887 ( 7.533 0.000 -0.512) 7.550 8.009 ( -3.951 0.000 0.271) 3.960 8.147 ( 4.347 0.000 7.185) 8.398 8.243 ( 8.208 0.000 1.775) 8.398 8.477 ( -11.337 0.000 -8.658) 14.265 8.502 ( -15.563 0.000 8.228) 17.605 8.657 ( 7.455 0.000 0.282) 7.460 8.743 ( -4.612 0.000 0.642) 4.656 8.954 ( -1.212 0.000 -1.123) 1.652 9.202 ( 3.887 0.000 8.215) 9.088 9.206 ( 1.812 0.000 12.643) 12.772 10.260 ( 10.524 0.000 2.555) 10.830 10.569 ( -9.429 0.000 -7.847) 12.267 10.868 ( 5.649 0.000 0.606) 5.682 11.049 ( 13.265 0.000 -5.493) 14.357 11.343 ( -3.278 0.000 0.058) 3.278 11.708 ( 14.655 0.000 -3.530) 15.075 12.144 ( 6.369 0.000 4.678) 7.902 12.294 ( -6.139 0.000 3.801) 7.220 12.589 ( -5.222 0.000 -6.895) 8.649 14.176 ( -0.929 0.000 -2.970) 3.112 14.510 ( 2.088 0.000 -2.514) 3.268 14.686 ( 7.620 0.000 19.325) 20.773 14.784 ( -0.413 0.000 0.575) 0.708 15.032 ( -8.331 0.000 2.376) 8.663 15.081 ( -10.930 0.000 -14.180) 17.904 15.196 ( 3.022 0.000 -1.106) 3.218 15.330 ( -7.897 0.000 -0.650) 7.924 15.445 ( -5.740 0.000 2.519) 6.269 15.520 ( 1.905 0.000 -8.347) 8.561 15.874 ( 1.295 0.000 6.372) 6.502 16.110 ( 1.248 0.000 0.802) 1.483 24.554 ( 1.661 0.000 -1.436) 2.196 24.622 ( -0.181 0.000 0.571) 0.599 24.752 ( -1.399 0.000 2.918) 3.236 24.890 ( 2.578 0.000 -2.270) 3.435 25.050 ( -1.558 0.000 5.167) 5.397 25.483 ( 0.852 0.000 -4.718) 4.795 25.801 ( -1.538 0.000 -4.031) 4.314 26.272 ( 23.327 0.000 32.087) 39.670 26.457 ( -3.287 0.000 0.797) 3.382 26.821 ( 3.564 0.000 -3.008) 4.663 27.896 ( -18.466 0.000 -29.573) 34.865 27.923 ( -4.097 0.000 5.396) 6.775 28.596 ( 0.621 0.000 2.083) 2.174 28.602 ( 1.410 0.000 0.499) 1.496 29.103 ( -2.248 0.000 4.575) 5.098 29.148 ( -9.927 0.000 -18.848) 21.302 ======================= Grid point 87 (35/104) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 2.002 33.023 17.997) 37.662 1.371 ( 2.480 27.595 32.732) 42.883 2.197 ( -0.427 52.787 44.600) 69.107 2.610 ( 2.666 9.363 -21.091) 23.229 3.166 ( 0.478 9.734 -14.538) 17.503 3.558 ( 0.000 1.398 20.095) 20.144 3.656 ( -5.101 0.273 6.155) 7.999 3.840 ( -0.163 3.594 16.469) 16.858 4.117 ( -0.693 0.314 -0.270) 0.807 4.246 ( 2.452 -0.586 -3.643) 4.430 4.324 ( -1.124 2.493 -1.837) 3.294 4.635 ( 0.972 -0.196 -2.484) 2.674 4.680 ( 3.062 0.696 3.073) 4.394 4.739 ( 1.948 -3.852 -1.126) 4.461 4.905 ( 1.120 -0.973 2.486) 2.895 4.967 ( -4.554 -0.465 -0.823) 4.651 5.055 ( -7.543 3.585 6.561) 10.620 5.387 ( -6.941 -8.025 1.094) 10.666 5.449 ( -5.253 -2.287 6.603) 8.742 5.580 ( 5.404 2.713 -8.303) 10.272 5.729 ( 7.008 11.259 -6.568) 14.800 5.891 ( -0.358 3.174 -5.342) 6.224 5.978 ( -2.012 2.042 -3.226) 4.316 6.098 ( 4.743 5.748 -2.575) 7.884 6.183 ( -8.552 6.261 -0.676) 10.620 6.245 ( -0.123 7.707 -20.923) 22.298 6.602 ( 3.045 -2.500 -6.245) 7.384 6.693 ( -3.932 9.997 -7.398) 13.043 6.902 ( 4.085 11.129 -1.016) 11.898 7.060 ( 0.073 -4.344 7.627) 8.778 7.201 ( -4.563 -0.423 -7.419) 8.720 7.290 ( 1.645 7.030 2.256) 7.565 7.345 ( -5.570 -3.494 -5.753) 8.736 7.479 ( -4.328 0.635 1.161) 4.525 7.543 ( -0.959 -2.437 0.232) 2.629 7.723 ( 2.058 0.201 -1.191) 2.386 7.816 ( -2.425 -1.343 -0.413) 2.802 7.927 ( 1.481 -1.985 -2.073) 3.230 8.104 ( 6.269 -9.431 6.587) 13.101 8.280 ( -5.264 -3.098 4.340) 7.493 8.343 ( -3.063 -4.813 0.563) 5.733 8.415 ( 3.745 4.376 1.293) 5.903 8.716 ( 0.358 1.453 -0.259) 1.519 8.799 ( 6.721 -3.321 2.002) 7.759 8.961 ( -1.163 2.471 -2.811) 3.919 9.190 ( -7.578 -3.786 -4.724) 9.699 9.465 ( 3.388 5.358 16.641) 17.807 10.286 ( 3.700 -8.947 0.271) 9.685 10.703 ( 10.078 4.974 1.641) 11.358 11.013 ( -4.649 5.046 10.936) 12.911 11.220 ( -2.340 1.477 -5.415) 6.082 11.629 ( -3.742 5.707 -14.250) 15.799 11.773 ( 1.329 -8.820 0.250) 8.924 12.167 ( -6.414 1.040 -1.795) 6.741 12.300 ( 10.687 1.750 2.150) 11.041 12.615 ( 5.653 4.925 -4.843) 8.926 14.134 ( -4.882 -4.289 2.491) 6.960 14.258 ( -8.276 -0.701 0.656) 8.332 14.523 ( 1.827 -3.614 -0.560) 4.088 14.719 ( 0.270 -4.883 0.474) 4.913 14.874 ( -2.168 -4.718 2.404) 5.722 15.122 ( -0.753 -9.954 -3.184) 10.478 15.192 ( 1.082 -0.995 1.986) 2.471 15.228 ( 0.073 -2.541 -0.495) 2.589 15.374 ( 2.488 1.494 -1.565) 3.297 15.621 ( 2.092 0.556 -2.905) 3.623 15.809 ( 1.105 -6.444 2.330) 6.941 16.010 ( 0.184 -9.747 0.339) 9.755 24.578 ( 0.726 0.989 -0.643) 1.385 24.645 ( -0.468 2.099 -3.027) 3.713 24.766 ( -1.768 1.911 1.826) 3.180 24.920 ( 1.709 0.706 -1.834) 2.604 25.062 ( -2.222 0.728 4.623) 5.180 25.419 ( -4.894 -5.467 -0.250) 7.342 25.705 ( -25.100 -3.793 7.835) 26.566 25.828 ( 2.259 -0.174 -0.167) 2.271 26.455 ( 0.566 0.510 2.807) 2.909 26.810 ( 1.493 -1.411 -4.088) 4.576 26.893 ( 27.245 -26.605 29.317) 48.059 27.742 ( -6.582 -14.020 -2.182) 15.641 28.714 ( -0.508 7.413 3.457) 8.195 29.047 ( -2.099 -0.400 0.872) 2.308 29.282 ( -1.347 19.477 -1.494) 19.581 30.220 ( 13.370 35.248 -40.135) 55.063 ======================= Grid point 88 (36/104) ======================= q-point: ( 0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 23.008 23.044 17.672) 37.050 1.811 ( 14.738 28.670 26.058) 41.451 2.623 ( 18.436 9.586 -21.781) 30.103 2.838 ( 17.569 31.017 45.071) 57.464 3.074 ( 8.841 18.970 -16.873) 26.883 3.539 ( -12.224 -2.365 11.727) 17.104 3.829 ( 4.510 0.872 10.287) 11.266 3.929 ( -2.664 -0.938 8.006) 8.490 4.104 ( -0.403 -0.808 1.139) 1.453 4.268 ( 2.058 -0.408 -3.138) 3.775 4.342 ( 0.108 2.461 3.067) 3.934 4.621 ( -1.565 -4.346 -0.149) 4.622 4.704 ( -3.005 -2.664 1.286) 4.217 4.768 ( 4.041 2.812 1.651) 5.193 4.878 ( -8.364 0.811 2.794) 8.856 5.007 ( 7.234 5.461 2.229) 9.334 5.088 ( 5.428 3.684 4.738) 8.092 5.262 ( -8.209 -4.462 -0.659) 9.366 5.335 ( -5.407 -2.987 0.705) 6.217 5.633 ( 3.114 3.928 -3.634) 6.191 5.701 ( -6.419 6.733 -7.199) 11.763 5.736 ( 3.264 11.943 -19.764) 23.322 5.857 ( 2.570 9.370 -7.845) 12.488 6.008 ( -6.132 2.800 -2.035) 7.041 6.089 ( 0.564 0.717 -1.792) 2.011 6.327 ( 7.937 2.396 -1.928) 8.512 6.438 ( -11.166 6.924 -6.978) 14.877 6.594 ( 2.330 0.680 -5.659) 6.158 6.942 ( -3.247 1.698 -0.196) 3.670 7.016 ( -2.933 1.422 -7.408) 8.093 7.146 ( 3.185 -2.239 0.981) 4.014 7.184 ( -7.941 3.243 -6.972) 11.053 7.244 ( -7.773 1.598 4.815) 9.282 7.483 ( -3.415 -2.505 -0.482) 4.263 7.509 ( 3.283 3.847 5.223) 7.270 7.758 ( 2.396 -5.556 -1.486) 6.231 7.855 ( 4.141 4.681 2.815) 6.855 7.962 ( 4.617 0.184 -4.633) 6.544 8.184 ( -3.639 -1.522 2.187) 4.510 8.282 ( 2.942 -8.829 4.214) 10.216 8.322 ( 1.570 -1.106 1.990) 2.766 8.523 ( 3.456 0.255 0.957) 3.595 8.765 ( 2.536 4.003 3.849) 6.105 8.892 ( -2.471 0.538 -3.301) 4.159 8.993 ( 6.267 -6.661 -0.373) 9.153 9.063 ( 4.863 -3.690 -1.976) 6.416 9.646 ( -1.635 6.070 17.737) 18.818 10.357 ( 5.139 -12.698 -6.652) 15.228 10.824 ( -6.504 4.572 3.604) 8.729 10.893 ( -11.017 2.339 7.643) 13.611 11.123 ( -0.975 2.584 -10.057) 10.430 11.384 ( -10.295 8.503 -5.098) 14.293 11.781 ( -5.701 -6.848 7.135) 11.415 11.966 ( -10.301 1.783 -4.433) 11.355 12.403 ( 4.586 10.111 -3.736) 11.714 12.674 ( 4.978 1.306 -4.153) 6.613 14.007 ( -7.449 -0.446 2.764) 7.958 14.298 ( 5.494 2.513 1.313) 6.182 14.599 ( 5.601 -12.433 1.763) 13.750 14.787 ( 5.752 -8.592 -0.276) 10.343 14.862 ( -1.697 -5.168 3.227) 6.325 15.109 ( 3.635 -6.052 -3.604) 7.927 15.214 ( 0.324 -3.989 -1.064) 4.142 15.240 ( 1.756 -0.846 0.065) 1.950 15.396 ( 0.970 0.913 -1.524) 2.025 15.654 ( 5.470 1.848 -3.918) 6.978 15.862 ( 0.002 -11.505 6.041) 12.995 16.001 ( -0.901 -9.600 -0.266) 9.645 24.576 ( -0.942 0.764 -0.513) 1.317 24.598 ( -1.288 1.554 -1.262) 2.381 24.747 ( -1.941 1.433 1.487) 2.834 24.921 ( -0.137 0.410 -1.347) 1.415 25.065 ( -2.922 0.438 5.101) 5.895 25.311 ( -5.285 -4.698 5.571) 9.002 25.574 ( 1.374 5.747 -1.507) 6.098 25.983 ( 9.774 -1.723 4.575) 10.928 26.525 ( 3.498 1.255 3.361) 5.010 26.732 ( -3.314 -0.644 -5.499) 6.452 27.534 ( 11.185 -22.935 8.712) 26.963 27.632 ( 6.003 -21.272 -1.651) 22.165 28.719 ( -2.848 8.716 4.421) 10.179 28.989 ( -3.445 0.320 -1.855) 3.926 29.198 ( -5.919 24.305 -1.247) 25.046 30.022 ( 0.078 22.044 -21.809) 31.009 ======================= Grid point 89 (37/104) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 20.732 15.776 14.818) 29.971 2.348 ( 18.897 27.543 20.666) 39.279 2.747 ( 14.938 7.436 -20.761) 26.635 3.100 ( 10.345 19.796 -19.037) 29.348 3.417 ( -9.364 -1.149 12.175) 15.403 3.512 ( 12.376 12.321 20.589) 26.998 3.865 ( -7.838 1.071 0.328) 7.917 3.942 ( 3.484 7.131 5.807) 9.834 4.085 ( -4.525 -8.123 -5.138) 10.623 4.204 ( -0.876 3.979 -4.098) 5.778 4.361 ( -3.767 6.088 3.373) 7.914 4.617 ( 0.486 -3.040 2.864) 4.205 4.668 ( -1.084 -5.882 2.709) 6.566 4.732 ( -8.563 -3.409 9.236) 13.048 4.893 ( -4.399 3.443 -0.820) 5.646 5.033 ( -5.899 3.330 -4.589) 8.182 5.098 ( 6.115 10.594 11.978) 17.120 5.296 ( 6.409 3.545 0.550) 7.345 5.355 ( -1.074 0.503 6.242) 6.354 5.568 ( -0.212 8.191 -1.117) 8.270 5.679 ( 2.653 11.525 -3.942) 12.466 5.680 ( 4.871 5.788 -11.011) 13.359 5.847 ( 6.953 7.142 -9.452) 13.737 5.978 ( -0.725 0.984 5.166) 5.309 6.092 ( -8.024 8.808 -2.073) 12.094 6.171 ( 4.284 -6.029 -7.870) 10.800 6.422 ( 4.815 -4.288 -3.928) 7.550 6.616 ( 2.726 -1.662 -5.086) 6.005 6.803 ( -1.915 0.562 -6.596) 6.892 6.926 ( -7.443 -5.393 -1.662) 9.341 7.007 ( -5.954 9.719 3.505) 11.925 7.136 ( -2.164 -1.281 2.247) 3.372 7.285 ( 9.762 4.011 -1.642) 10.681 7.474 ( 2.504 -7.162 -1.584) 7.751 7.627 ( 2.342 0.236 6.239) 6.668 7.763 ( 1.137 1.844 2.439) 3.262 7.976 ( 6.842 2.648 -1.537) 7.495 8.007 ( 5.686 1.076 -5.300) 7.847 8.177 ( -0.519 -4.099 4.735) 6.284 8.297 ( -3.038 -3.691 3.902) 6.171 8.417 ( 3.698 -0.415 0.964) 3.844 8.569 ( 0.339 -0.855 0.796) 1.217 8.778 ( -1.975 -2.826 -5.465) 6.462 8.859 ( 0.953 3.407 3.990) 5.332 9.035 ( 7.156 -3.559 -6.542) 10.328 9.225 ( 1.933 -2.300 4.054) 5.046 9.759 ( -2.455 3.340 17.153) 17.647 10.249 ( -9.276 -9.808 -15.968) 20.910 10.558 ( -15.520 6.132 7.408) 18.258 10.875 ( -3.187 4.087 -0.480) 5.205 11.008 ( -1.611 3.382 -8.063) 8.891 11.147 ( -11.122 6.805 -0.142) 13.039 11.583 ( -12.787 3.744 -6.586) 14.862 11.845 ( -8.655 -2.497 9.165) 12.851 12.502 ( 9.901 9.395 -2.523) 13.880 12.724 ( 5.432 -3.599 -5.072) 8.257 13.926 ( -4.858 1.577 3.187) 6.020 14.390 ( 3.195 3.090 1.291) 4.628 14.729 ( 4.733 -13.011 3.386) 14.253 14.830 ( 0.870 -13.827 -2.196) 14.028 14.906 ( 1.528 -4.329 4.191) 6.216 15.168 ( 4.348 -2.321 -4.550) 6.707 15.190 ( -0.433 -4.584 -3.198) 5.606 15.335 ( 8.417 -1.645 2.826) 9.030 15.399 ( 1.264 1.701 -0.320) 2.143 15.733 ( 5.213 -2.653 -1.846) 6.133 15.897 ( -1.175 -10.824 2.745) 11.228 15.988 ( 0.018 -8.780 0.511) 8.795 24.541 ( -1.096 0.642 -1.155) 1.717 24.584 ( -0.870 0.974 1.027) 1.662 24.723 ( -1.771 0.940 0.657) 2.110 24.889 ( -2.095 0.234 -1.191) 2.421 25.042 ( -5.087 0.675 6.521) 8.298 25.336 ( 2.432 -5.044 2.752) 6.239 25.608 ( 3.817 5.554 -3.071) 7.405 26.199 ( 5.305 -4.392 5.895) 9.065 26.598 ( -0.433 0.039 -3.483) 3.510 26.654 ( 3.923 2.304 1.551) 4.807 27.513 ( 3.480 -12.012 -9.137) 15.488 27.943 ( 10.689 -19.674 7.063) 23.478 28.697 ( -4.004 10.028 4.701) 11.777 28.899 ( -3.338 1.663 -3.492) 5.108 29.068 ( -6.864 23.248 -0.253) 24.242 29.860 ( -1.356 10.292 -11.128) 15.218 ======================= Grid point 90 (38/104) ======================= q-point: ( 0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 13.173 10.770 5.582) 17.907 2.654 ( -5.908 11.559 -2.904) 13.302 2.862 ( 14.162 22.654 9.220) 28.263 3.104 ( 13.671 12.325 -15.163) 23.848 3.374 ( -3.343 1.513 -1.198) 3.860 3.579 ( -10.391 6.474 -4.724) 13.123 3.703 ( -6.972 2.067 -4.184) 8.390 3.963 ( -4.629 2.062 -3.885) 6.386 4.070 ( 4.504 5.379 7.361) 10.169 4.173 ( 0.052 5.226 -4.712) 7.037 4.333 ( 2.513 3.786 4.461) 6.368 4.611 ( -14.133 -9.803 16.988) 24.176 4.681 ( -1.484 5.473 1.919) 5.986 4.738 ( -5.681 4.724 4.057) 8.429 4.807 ( 6.276 -5.891 3.316) 9.224 4.971 ( -2.738 1.817 3.993) 5.171 5.270 ( -4.329 12.709 -4.284) 14.093 5.354 ( 0.768 3.720 -1.231) 3.993 5.391 ( 4.644 3.725 11.465) 12.919 5.542 ( -3.777 10.910 2.242) 11.761 5.621 ( -4.042 8.691 -1.945) 9.780 5.704 ( 4.956 3.364 -4.657) 7.587 5.854 ( -3.767 1.062 -1.836) 4.323 5.968 ( -1.138 5.636 0.158) 5.752 6.067 ( 4.067 6.817 -2.634) 8.363 6.278 ( 10.280 -6.203 -1.612) 12.114 6.514 ( 8.568 -2.354 -0.793) 8.921 6.620 ( 10.540 -3.313 -11.858) 16.207 6.799 ( 0.843 -0.695 1.397) 1.773 6.844 ( 0.539 -4.265 1.273) 4.484 7.028 ( 6.023 3.766 3.671) 7.996 7.185 ( 6.686 -3.579 -0.499) 7.600 7.494 ( 5.691 -4.432 -5.819) 9.267 7.508 ( 10.527 -1.170 0.496) 10.604 7.693 ( -0.529 2.866 8.367) 8.860 7.909 ( 7.826 0.100 6.540) 10.199 8.044 ( 4.969 2.026 -4.809) 7.205 8.079 ( 5.896 -1.598 -4.341) 7.494 8.213 ( -0.764 -2.315 1.222) 2.727 8.291 ( -0.649 -1.418 4.850) 5.094 8.435 ( -2.401 0.689 1.097) 2.728 8.508 ( -4.575 2.823 -3.274) 6.294 8.752 ( 2.709 -6.118 -2.652) 7.197 8.897 ( -1.510 4.289 4.365) 6.303 9.080 ( 1.911 -2.493 -4.627) 5.592 9.196 ( -4.253 -0.651 -0.409) 4.322 9.779 ( -17.959 -2.559 -2.902) 18.371 9.846 ( -13.159 2.809 4.067) 14.056 10.405 ( -4.370 5.109 0.067) 6.724 10.808 ( -0.197 4.535 -2.800) 5.334 10.907 ( -2.343 3.312 -6.022) 7.262 10.978 ( -11.387 4.669 2.122) 12.488 11.360 ( -4.725 4.245 -2.661) 6.887 11.734 ( -10.525 0.346 5.518) 11.889 12.678 ( 9.859 5.869 -1.003) 11.518 12.784 ( 5.978 -5.442 -4.451) 9.228 13.883 ( -3.890 2.873 4.454) 6.575 14.455 ( 3.097 3.035 1.219) 4.504 14.768 ( -2.574 -5.328 1.801) 6.185 14.883 ( 5.087 -18.020 1.029) 18.753 14.943 ( -0.005 -4.440 1.299) 4.626 15.118 ( -1.375 -5.718 -6.479) 8.749 15.205 ( 2.691 -0.425 -1.629) 3.175 15.416 ( 1.652 -0.806 1.313) 2.259 15.562 ( 9.219 -3.843 3.577) 10.609 15.780 ( 1.295 -8.834 -1.641) 9.078 15.878 ( -1.198 -7.542 -0.588) 7.659 16.012 ( 1.828 -5.650 -0.126) 5.939 24.526 ( 0.390 0.441 -0.426) 0.727 24.580 ( -0.906 0.897 1.608) 2.052 24.695 ( -1.569 0.496 -0.120) 1.650 24.826 ( -3.348 0.496 -1.186) 3.587 25.013 ( -4.839 0.896 6.943) 8.510 25.415 ( 3.442 -5.757 1.716) 6.923 25.643 ( 3.274 4.391 -3.527) 6.515 26.188 ( -6.823 -4.433 -0.468) 8.150 26.622 ( 4.844 -0.348 -0.616) 4.896 26.806 ( 8.304 4.506 3.065) 9.933 27.535 ( 5.787 -12.158 -5.648) 14.601 28.138 ( 5.553 -9.914 4.022) 12.054 28.666 ( -3.652 11.491 3.814) 12.647 28.809 ( -2.510 3.770 -4.359) 6.285 28.965 ( -5.058 16.485 2.351) 17.403 29.755 ( -0.770 3.948 -7.673) 8.663 ======================= Grid point 91 (39/104) ======================= q-point: ( 0.40 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -9.106 10.353 4.420) 14.480 2.831 ( 9.860 7.636 4.448) 13.241 3.037 ( -3.209 14.396 3.387) 15.133 3.161 ( -2.309 6.285 -8.798) 11.056 3.285 ( 3.069 3.113 -13.626) 14.310 3.461 ( 6.272 17.904 -1.058) 19.000 3.601 ( 2.170 6.651 -4.644) 8.397 3.826 ( -2.260 5.672 -2.610) 6.640 4.108 ( -0.051 8.788 -3.057) 9.305 4.251 ( -0.907 3.471 3.296) 4.872 4.384 ( -1.467 1.615 2.969) 3.685 4.531 ( -6.894 -3.934 14.212) 16.278 4.613 ( -7.058 2.212 4.305) 8.558 4.728 ( -2.278 3.094 1.482) 4.118 4.880 ( -1.530 -4.328 -0.301) 4.601 5.005 ( 0.334 -3.363 9.102) 9.709 5.133 ( -4.674 13.141 -0.590) 13.960 5.336 ( -1.270 8.236 -4.862) 9.648 5.401 ( -3.207 -4.170 -0.475) 5.282 5.533 ( -1.534 11.852 -1.054) 11.997 5.644 ( -5.964 6.334 3.983) 9.569 5.676 ( 3.274 -1.329 7.782) 8.547 5.803 ( 2.273 -0.084 -0.044) 2.275 5.938 ( -4.162 8.966 1.606) 10.014 6.130 ( 5.131 7.184 4.649) 9.977 6.372 ( 0.752 5.830 -1.763) 6.137 6.659 ( 0.880 -11.212 -2.734) 11.574 6.771 ( 15.545 -2.990 -3.967) 16.319 6.880 ( 2.371 -4.290 1.981) 5.287 6.939 ( 12.646 0.499 -5.510) 13.803 7.266 ( 13.504 -1.147 0.237) 13.555 7.355 ( 11.506 -7.450 0.453) 13.715 7.509 ( 3.446 -11.682 -1.712) 12.299 7.677 ( 5.232 3.659 0.937) 6.452 7.774 ( 0.971 4.616 4.067) 6.229 8.019 ( 0.405 2.333 -2.129) 3.185 8.096 ( 4.462 -3.083 -4.836) 7.266 8.138 ( 0.370 -5.962 -5.541) 8.148 8.205 ( 3.376 0.812 4.864) 5.976 8.321 ( -2.359 3.034 2.320) 4.490 8.374 ( -0.414 4.765 -3.279) 5.799 8.451 ( -1.306 3.687 2.971) 4.912 8.743 ( -1.659 -4.497 -3.161) 5.742 8.913 ( -1.710 7.864 4.801) 9.371 9.009 ( -2.418 0.158 -4.197) 4.846 9.094 ( -5.295 -2.589 -4.467) 7.395 9.395 ( -12.608 -0.836 -2.079) 12.806 9.622 ( -15.755 2.303 2.011) 16.049 10.416 ( 1.412 3.087 1.930) 3.905 10.767 ( -8.936 3.444 -3.278) 10.122 10.822 ( 2.232 5.346 -0.296) 5.800 10.840 ( -0.080 2.580 -1.400) 2.936 11.336 ( -0.202 4.321 3.537) 5.587 11.596 ( -7.664 2.687 2.334) 8.450 12.807 ( 5.657 1.294 -2.477) 6.309 12.855 ( 4.739 -3.576 -2.265) 6.354 13.866 ( -3.013 3.977 5.680) 7.560 14.521 ( 2.255 3.747 0.847) 4.455 14.713 ( -3.613 -4.270 -0.270) 5.600 14.939 ( 0.343 -2.941 -1.298) 3.233 14.984 ( 3.011 -18.511 1.767) 18.838 15.045 ( 0.130 -5.866 -3.805) 6.994 15.252 ( 2.975 -0.042 0.900) 3.109 15.457 ( -0.072 -4.136 3.329) 5.310 15.702 ( 3.533 -6.079 0.039) 7.031 15.763 ( -0.321 -11.424 -1.998) 11.602 15.854 ( -0.367 -5.380 -1.429) 5.579 16.033 ( 1.493 -2.314 -2.892) 3.993 24.544 ( 0.892 0.088 0.893) 1.265 24.583 ( 0.083 1.005 1.042) 1.450 24.667 ( -1.242 0.144 -0.213) 1.268 24.756 ( -2.762 1.139 -1.167) 3.208 24.995 ( -4.316 1.000 6.981) 8.268 25.483 ( 2.307 -6.083 1.122) 6.602 25.664 ( 2.566 2.783 -3.126) 4.910 26.058 ( -4.660 -2.848 -2.119) 5.858 26.701 ( 3.515 -1.431 0.412) 3.818 26.954 ( 4.476 7.890 0.946) 9.120 27.604 ( 4.568 -13.784 0.282) 14.524 28.221 ( 1.222 -3.438 0.111) 3.650 28.634 ( -3.015 12.246 2.211) 12.804 28.738 ( -0.445 5.884 -4.320) 7.313 28.935 ( -2.655 9.491 6.034) 11.556 29.687 ( 0.817 0.717 -7.099) 7.182 ======================= Grid point 92 (40/104) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -0.585 9.712 12.855) 16.122 2.828 ( -15.466 8.338 -4.027) 18.026 3.014 ( 2.044 6.898 5.241) 8.901 3.121 ( 7.600 11.446 -4.633) 14.500 3.255 ( 8.070 6.376 -13.871) 17.268 3.569 ( 7.189 9.522 -3.937) 12.564 3.654 ( 5.739 10.063 -1.697) 11.708 3.842 ( -0.659 10.733 2.406) 11.019 4.072 ( -5.984 11.175 -0.494) 12.686 4.149 ( -1.610 1.926 2.217) 3.349 4.389 ( 0.175 -2.092 -1.136) 2.387 4.491 ( -9.528 -0.295 -2.042) 9.748 4.538 ( -4.302 -0.785 6.350) 7.710 4.700 ( 1.485 10.263 -0.176) 10.371 4.816 ( -4.763 -9.040 -0.113) 10.218 5.035 ( 0.225 1.448 1.483) 2.085 5.150 ( -1.091 3.016 6.469) 7.221 5.293 ( -4.048 4.202 4.366) 7.288 5.413 ( 3.368 3.422 -0.927) 4.891 5.448 ( 3.199 12.378 -0.703) 12.804 5.662 ( -0.818 6.984 5.648) 9.020 5.761 ( 0.163 -1.449 2.441) 2.844 5.847 ( -4.872 11.606 2.330) 12.801 5.954 ( 5.766 -5.116 9.643) 12.346 6.291 ( 2.402 5.789 11.596) 13.181 6.363 ( 1.099 9.352 -2.591) 9.766 6.662 ( 1.399 -12.759 0.145) 12.836 6.838 ( -1.607 -5.158 -1.725) 5.671 6.898 ( -4.652 -3.275 -5.469) 7.892 7.030 ( 4.782 -1.649 -9.522) 10.782 7.351 ( 0.384 -3.759 -3.787) 5.350 7.576 ( 5.974 -9.413 4.560) 12.045 7.597 ( 0.520 -4.980 0.876) 5.083 7.648 ( -3.241 -1.946 -4.032) 5.527 7.867 ( 5.221 1.151 4.201) 6.800 7.993 ( -6.291 -3.200 -8.386) 10.961 8.047 ( 3.632 7.031 0.045) 7.914 8.109 ( -0.989 -2.550 -2.813) 3.923 8.177 ( -6.014 3.842 -5.495) 9.007 8.253 ( -2.928 2.903 -5.322) 6.732 8.398 ( 1.454 -0.872 5.769) 6.013 8.509 ( 0.078 1.548 5.878) 6.078 8.665 ( -0.741 5.567 -5.724) 8.019 8.857 ( -1.903 5.437 -0.175) 5.763 9.007 ( 6.355 1.598 -5.676) 8.669 9.054 ( 2.230 1.769 0.966) 3.006 9.292 ( -1.569 -5.375 3.768) 6.749 9.439 ( -1.894 2.254 -0.778) 3.045 10.428 ( -1.125 3.025 0.826) 3.331 10.632 ( -1.178 3.012 -5.076) 6.018 10.831 ( 0.103 2.244 1.266) 2.579 10.924 ( 5.957 4.954 2.090) 8.024 11.383 ( 0.512 3.762 5.596) 6.762 11.522 ( -2.027 4.242 1.099) 4.828 12.842 ( 0.477 1.826 -2.651) 3.254 12.892 ( 1.702 -5.425 -2.188) 6.092 13.882 ( -1.791 4.913 7.432) 9.087 14.496 ( -2.954 5.316 -4.762) 7.724 14.691 ( 0.801 -5.300 1.884) 5.682 14.932 ( 0.446 -3.665 -2.005) 4.201 14.977 ( -2.223 -12.673 0.227) 12.869 15.103 ( 4.809 -10.763 0.385) 11.795 15.329 ( 2.620 -0.309 4.208) 4.966 15.462 ( -2.823 -6.996 3.743) 8.421 15.684 ( -2.167 -7.900 -3.978) 9.106 15.759 ( 1.289 -11.251 -1.782) 11.464 15.841 ( 0.168 -3.117 -1.343) 3.399 16.003 ( -0.708 -0.538 -5.274) 5.348 24.553 ( -1.129 0.070 1.627) 1.981 24.613 ( 1.957 1.517 0.105) 2.478 24.644 ( -1.105 -0.759 0.511) 1.434 24.724 ( 0.814 1.713 -1.203) 2.246 24.984 ( -4.012 0.971 7.032) 8.155 25.515 ( 0.246 -6.422 0.625) 6.457 25.681 ( 1.854 1.829 -2.081) 3.334 25.999 ( 0.477 -2.512 -2.483) 3.564 26.752 ( 0.875 -0.431 1.937) 2.169 26.964 ( -2.452 7.058 -2.351) 7.833 27.710 ( 3.610 -11.282 5.835) 13.204 28.180 ( -3.271 -3.342 -4.449) 6.455 28.602 ( -1.754 10.272 0.837) 10.455 28.722 ( 2.368 9.688 -2.950) 10.401 28.967 ( -1.354 6.164 8.082) 10.255 29.656 ( 3.265 -0.059 -7.595) 8.268 ======================= Grid point 93 (41/104) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -18.095 10.264 -9.604) 22.913 2.637 ( 5.195 10.417 8.602) 14.474 2.884 ( -18.721 15.713 0.218) 24.442 3.288 ( 14.258 6.587 -6.634) 17.049 3.361 ( 12.740 8.148 -11.251) 18.849 3.625 ( -5.810 10.706 7.022) 14.059 3.737 ( 0.596 6.648 7.427) 9.985 3.860 ( 9.076 10.307 -1.609) 13.827 4.057 ( -6.181 -0.928 -4.190) 7.525 4.094 ( 4.020 2.562 -1.474) 4.990 4.305 ( -2.672 -3.756 -7.666) 8.945 4.443 ( 2.536 0.310 7.630) 8.046 4.512 ( -2.454 1.308 1.594) 3.205 4.749 ( -3.460 -6.230 3.691) 8.025 4.803 ( 7.400 14.671 4.132) 16.943 4.955 ( -3.741 5.319 -10.582) 12.420 5.220 ( -1.020 15.613 8.720) 17.912 5.282 ( -1.108 1.450 7.668) 7.882 5.415 ( -5.745 3.244 4.579) 8.031 5.568 ( 6.037 2.533 -3.481) 7.415 5.722 ( 4.448 -2.499 2.919) 5.878 5.771 ( -4.534 7.805 2.042) 9.254 5.852 ( 1.513 4.340 9.640) 10.680 6.096 ( -1.498 -1.588 4.312) 4.833 6.329 ( -4.635 9.055 -3.798) 10.858 6.391 ( 1.980 1.066 5.108) 5.581 6.592 ( -9.204 -2.177 -1.743) 9.617 6.749 ( 0.836 -5.654 2.174) 6.115 6.821 ( -0.644 -10.708 5.262) 11.948 6.961 ( -1.800 -0.181 -11.265) 11.410 7.307 ( -5.529 -2.595 2.373) 6.553 7.427 ( -8.786 -3.429 -1.860) 9.613 7.525 ( -8.205 -2.259 -4.502) 9.628 7.692 ( -1.721 -5.111 3.393) 6.371 7.808 ( -3.074 -2.212 -7.248) 8.178 7.919 ( -1.835 -0.439 3.496) 3.973 8.000 ( -5.694 5.842 -3.357) 8.822 8.041 ( -2.388 4.107 -3.972) 6.192 8.070 ( -5.022 -1.940 -2.059) 5.764 8.211 ( 0.486 0.090 -2.701) 2.746 8.438 ( 1.067 -1.122 4.036) 4.323 8.518 ( 0.126 0.002 -1.719) 1.723 8.670 ( 3.303 5.190 -0.146) 6.153 8.854 ( 0.651 -0.624 0.004) 0.902 9.036 ( 1.329 4.673 -3.887) 6.222 9.183 ( 8.317 -2.128 -1.685) 8.748 9.461 ( 15.491 -2.522 4.398) 16.299 9.481 ( 6.078 6.703 -3.382) 9.659 10.428 ( 0.474 2.412 2.291) 3.360 10.635 ( 6.668 6.075 -5.504) 10.567 10.847 ( 0.817 -1.129 0.515) 1.486 11.065 ( 7.269 5.799 1.628) 9.440 11.461 ( 2.346 2.609 5.446) 6.478 11.531 ( 1.831 4.509 1.009) 4.970 12.768 ( -5.256 3.085 -3.186) 6.877 12.885 ( -0.400 -6.969 -1.988) 7.258 13.943 ( -0.359 5.145 10.258) 11.481 14.393 ( -1.606 4.590 -6.461) 8.087 14.731 ( 0.408 -5.079 2.918) 5.872 14.904 ( -1.136 -4.440 -3.724) 5.905 14.932 ( -3.120 -13.574 0.857) 13.954 15.188 ( 4.247 -9.707 -0.193) 10.598 15.389 ( -2.406 -2.972 5.155) 6.418 15.460 ( -0.158 -4.855 4.755) 6.798 15.573 ( -5.315 -7.809 -4.250) 10.358 15.768 ( 1.210 -10.092 -2.914) 10.574 15.821 ( -1.111 -1.973 -1.645) 2.799 15.921 ( -1.530 -1.224 -5.738) 6.063 24.546 ( -0.680 0.284 0.844) 1.120 24.610 ( -1.493 1.623 1.368) 2.595 24.672 ( 2.552 -0.528 -0.102) 2.608 24.757 ( 3.594 1.414 -1.163) 4.034 24.979 ( -3.676 0.821 7.246) 8.166 25.505 ( -1.593 -6.750 0.455) 6.950 25.692 ( 0.579 1.822 -0.158) 1.918 26.011 ( 3.590 -3.477 -4.807) 6.935 26.768 ( -1.972 2.167 3.781) 4.783 26.847 ( -6.688 4.059 -3.067) 8.403 27.819 ( 0.156 -6.284 7.942) 10.129 28.043 ( -5.046 -10.552 -6.549) 13.405 28.586 ( -0.544 8.231 0.215) 8.252 28.765 ( 4.587 12.693 -1.693) 13.602 29.026 ( -0.296 6.172 7.724) 9.892 29.668 ( 6.379 2.463 -8.548) 10.946 ======================= Grid point 94 (42/104) ======================= q-point: (-0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -23.440 16.191 -9.524) 30.038 2.411 ( -29.721 21.181 -1.399) 36.523 2.832 ( 9.839 5.892 -2.034) 11.647 3.403 ( -0.593 11.779 -8.798) 14.714 3.441 ( -0.125 12.921 1.865) 13.055 3.508 ( -7.707 11.229 0.255) 13.621 3.751 ( -8.806 0.879 3.284) 9.439 3.936 ( -0.862 5.359 3.141) 6.271 4.035 ( 7.324 4.741 -2.343) 9.034 4.103 ( 1.986 6.864 -9.861) 12.178 4.307 ( 8.941 -10.603 0.154) 13.870 4.461 ( -4.394 4.874 9.512) 11.556 4.621 ( 4.237 -2.387 -1.007) 4.966 4.763 ( -1.716 -0.669 9.025) 9.211 4.812 ( -0.413 5.754 -5.341) 7.862 5.013 ( 12.640 9.676 0.324) 15.922 5.247 ( -3.646 18.131 7.233) 19.858 5.306 ( -6.510 -2.672 8.248) 10.842 5.361 ( -3.749 1.018 9.045) 9.844 5.596 ( -9.534 -0.708 -6.280) 11.438 5.631 ( -0.203 8.314 -0.201) 8.319 5.774 ( -2.800 -2.686 2.970) 4.887 5.893 ( -3.972 -6.178 -5.077) 8.928 6.040 ( 3.710 11.239 5.046) 12.866 6.237 ( -0.700 5.273 -1.933) 5.659 6.454 ( -1.259 5.273 -2.145) 5.830 6.620 ( 8.960 1.645 4.808) 10.301 6.771 ( -5.507 -0.951 -5.533) 7.864 6.844 ( 2.982 -6.902 0.923) 7.575 6.888 ( 1.395 -8.036 7.438) 11.038 7.199 ( -7.502 -3.740 8.128) 11.676 7.314 ( -2.001 -6.709 2.321) 7.376 7.419 ( -3.024 -3.588 -4.632) 6.593 7.621 ( -1.786 2.425 -2.750) 4.078 7.707 ( -4.589 4.636 -2.950) 7.159 7.853 ( -6.115 6.457 1.324) 8.991 7.881 ( -4.530 -6.590 -8.262) 11.499 7.928 ( -3.682 -3.258 6.802) 8.393 8.025 ( 1.053 -2.681 -4.689) 5.503 8.169 ( -3.098 3.062 -1.389) 4.571 8.486 ( 0.279 -1.609 3.421) 3.791 8.562 ( 5.279 -0.035 -0.589) 5.312 8.720 ( 0.858 2.830 0.702) 3.040 8.856 ( -0.484 -1.421 -0.763) 1.684 9.069 ( 3.874 6.630 -1.829) 7.894 9.181 ( -5.299 -2.445 -2.426) 6.320 9.459 ( -1.384 1.944 -3.976) 4.637 9.902 ( 23.814 5.269 0.078) 24.390 10.490 ( 4.010 -2.245 1.244) 4.761 10.723 ( 4.598 6.779 -3.368) 8.857 10.913 ( 9.226 0.305 -1.105) 9.297 11.210 ( 8.085 5.182 -0.329) 9.609 11.501 ( -0.116 1.780 -1.650) 2.430 11.671 ( 9.478 3.912 6.680) 12.237 12.611 ( -7.952 2.701 -3.689) 9.173 12.836 ( -2.817 -5.950 -2.633) 7.090 14.060 ( 1.070 3.294 13.207) 13.653 14.331 ( 0.252 4.791 -4.297) 6.440 14.738 ( -2.415 -6.875 1.292) 7.400 14.817 ( -3.599 -3.194 -4.736) 6.751 14.891 ( -1.622 -15.152 0.499) 15.246 15.249 ( 2.746 -8.350 -0.986) 8.845 15.338 ( -5.633 -4.304 -0.572) 7.112 15.457 ( -5.578 -5.554 3.564) 8.641 15.513 ( -0.128 -3.142 4.750) 5.696 15.694 ( -3.444 -4.208 -7.129) 8.966 15.772 ( -2.200 -0.146 -2.110) 3.052 15.901 ( 2.712 -8.769 -1.455) 9.294 24.546 ( 0.308 0.730 -0.127) 0.802 24.607 ( -0.392 1.262 1.676) 2.135 24.716 ( 2.106 0.416 0.440) 2.191 24.817 ( 4.104 1.001 -1.645) 4.533 24.987 ( -2.885 0.563 7.527) 8.081 25.476 ( -2.015 -6.808 0.944) 7.163 25.702 ( -1.061 1.601 3.692) 4.161 26.001 ( 0.925 -3.831 -7.975) 8.895 26.683 ( -7.309 1.662 -2.136) 7.794 26.773 ( -1.887 4.474 4.598) 6.688 27.757 ( -9.665 -13.462 -5.599) 17.493 27.961 ( -2.816 -12.204 5.194) 13.559 28.590 ( 0.757 6.481 0.349) 6.534 28.853 ( 5.826 12.535 -0.152) 13.824 29.100 ( 1.715 9.139 5.462) 10.784 29.734 ( 10.729 10.003 -10.434) 18.002 ======================= Grid point 95 (43/104) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -24.768 21.926 0.917) 33.092 1.832 ( -32.286 24.877 0.919) 40.769 2.845 ( -33.886 31.037 -1.586) 45.979 2.946 ( -3.133 10.004 -4.437) 11.383 3.438 ( -6.051 -1.949 -5.671) 8.520 3.485 ( 0.685 16.394 8.924) 18.678 3.606 ( -7.907 2.528 4.919) 9.649 3.923 ( -6.064 8.180 -9.435) 13.882 4.010 ( 3.836 4.139 3.118) 6.447 4.214 ( 7.223 3.382 0.771) 8.013 4.416 ( -2.820 1.161 -2.706) 4.077 4.521 ( 7.061 -8.584 0.842) 11.147 4.685 ( 7.242 7.349 1.616) 10.444 4.753 ( -6.947 -0.732 8.338) 10.878 4.830 ( -0.237 -6.611 4.523) 8.014 5.045 ( -6.903 -1.684 -4.103) 8.205 5.301 ( -8.436 -1.061 14.815) 17.082 5.345 ( 6.015 0.976 -2.976) 6.781 5.375 ( 5.397 9.966 -3.423) 11.839 5.515 ( -11.251 7.214 4.515) 14.107 5.560 ( 8.974 4.434 10.050) 14.184 5.644 ( 0.001 8.903 -8.640) 12.407 5.941 ( 3.418 -5.111 -3.060) 6.868 6.179 ( 8.961 5.595 0.507) 10.576 6.262 ( 3.885 6.472 2.583) 7.978 6.365 ( -6.006 6.497 -4.786) 10.059 6.637 ( -3.260 2.501 -6.073) 7.332 6.744 ( 4.156 3.963 -1.227) 5.872 6.945 ( 1.874 -6.625 2.634) 7.372 6.973 ( 1.531 -5.567 6.274) 8.527 7.205 ( -7.452 -6.672 -0.615) 10.022 7.311 ( 9.726 -1.889 -2.230) 10.155 7.364 ( -0.185 -6.470 1.800) 6.718 7.577 ( -0.389 3.125 -0.108) 3.151 7.656 ( -3.439 2.055 0.187) 4.011 7.770 ( -6.264 5.091 2.374) 8.414 7.807 ( 3.883 -5.353 -2.643) 7.122 7.935 ( 0.359 -6.799 0.543) 6.830 7.992 ( -1.675 -2.904 -0.193) 3.358 8.132 ( 1.961 1.737 -0.297) 2.636 8.526 ( -3.177 -4.386 6.384) 8.372 8.610 ( 1.878 2.533 -4.263) 5.303 8.694 ( -5.826 1.519 4.926) 7.779 8.829 ( -1.287 -2.136 -2.766) 3.724 9.019 ( -6.346 3.660 -2.072) 7.613 9.124 ( 3.037 3.392 1.231) 4.716 9.377 ( -4.049 1.896 -2.502) 5.123 10.251 ( 15.020 10.058 -1.845) 18.170 10.530 ( -2.385 -5.922 -2.980) 7.046 10.782 ( 7.236 2.725 0.456) 7.745 11.146 ( 17.615 7.915 -4.514) 19.832 11.351 ( 3.788 1.927 1.678) 4.569 11.484 ( 5.369 -2.288 -4.135) 7.152 11.942 ( 12.030 5.295 6.563) 14.692 12.424 ( -8.241 0.632 -4.497) 9.409 12.733 ( -4.490 -3.567 -4.874) 7.526 14.188 ( 0.900 -1.965 5.351) 5.771 14.339 ( -0.138 4.310 8.744) 9.749 14.653 ( -3.372 -5.215 -6.705) 9.139 14.730 ( -4.105 -5.055 3.021) 7.178 14.875 ( -0.936 -12.039 -0.505) 12.086 15.210 ( -4.367 -1.519 -1.684) 4.921 15.273 ( -0.338 -9.730 -1.318) 9.825 15.400 ( -5.967 -1.755 4.837) 7.879 15.497 ( -4.153 1.072 -4.653) 6.329 15.597 ( -1.820 -10.305 1.368) 10.553 15.731 ( 0.994 2.686 -2.306) 3.677 15.949 ( 2.491 -10.456 0.258) 10.751 24.553 ( 1.146 1.153 -1.095) 1.960 24.625 ( 0.677 1.255 1.475) 2.052 24.754 ( 0.983 1.239 1.308) 2.052 24.868 ( 3.377 0.908 -2.286) 4.178 25.016 ( -1.506 0.276 7.326) 7.484 25.459 ( -0.715 -5.964 0.894) 6.073 25.747 ( -1.575 -1.724 13.931) 14.126 25.902 ( -2.791 -1.801 -7.189) 7.920 26.546 ( -5.900 0.375 -1.087) 6.011 26.798 ( 0.766 3.491 2.058) 4.124 27.396 ( -21.626 -28.154 -13.531) 37.993 27.943 ( -6.200 -10.371 7.186) 14.058 28.623 ( 2.039 5.749 1.192) 6.216 28.962 ( 4.590 7.357 2.194) 8.945 29.189 ( 4.267 14.137 1.674) 14.861 29.882 ( 19.410 24.754 -15.899) 35.246 ======================= Grid point 96 (44/104) ======================= q-point: (-0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -16.557 26.044 21.757) 37.760 1.312 ( -27.068 29.446 11.695) 41.671 2.205 ( -33.728 56.342 21.043) 68.955 2.843 ( -3.480 6.804 -16.932) 18.577 3.253 ( -5.626 -3.269 -0.889) 6.567 3.516 ( -7.268 7.829 4.986) 11.789 3.648 ( 3.628 11.263 14.683) 18.858 3.740 ( -7.760 5.322 1.326) 9.502 4.095 ( 2.833 3.642 1.248) 4.780 4.265 ( -1.215 -1.161 -0.952) 1.931 4.393 ( 2.071 -1.756 -6.689) 7.219 4.568 ( 0.441 -1.754 6.095) 6.358 4.692 ( -2.782 -2.718 -4.010) 5.586 4.740 ( 0.278 -2.320 -2.969) 3.778 4.892 ( -1.732 1.422 3.618) 4.256 4.997 ( 1.558 -1.642 6.195) 6.596 5.167 ( -10.593 0.927 2.665) 10.962 5.376 ( 2.510 -2.437 1.169) 3.688 5.463 ( -0.880 -5.776 2.026) 6.184 5.524 ( 6.639 11.939 0.426) 13.667 5.671 ( 6.873 6.744 -0.956) 9.676 5.820 ( 9.302 6.620 1.908) 11.576 5.963 ( 2.514 -2.087 -3.286) 4.633 6.122 ( -9.896 5.276 -3.649) 11.794 6.343 ( -2.616 6.926 1.079) 7.481 6.407 ( 12.872 3.825 3.445) 13.863 6.484 ( -1.875 4.395 -16.464) 17.143 6.773 ( 1.481 8.491 -5.292) 10.114 6.906 ( -2.558 0.323 -5.578) 6.145 7.035 ( -1.294 -3.237 6.448) 7.330 7.172 ( 4.137 0.274 1.000) 4.265 7.329 ( -1.065 0.075 -4.307) 4.438 7.464 ( 6.397 -2.144 -2.747) 7.284 7.530 ( -4.805 -7.756 -7.107) 11.565 7.600 ( -3.408 0.036 1.115) 3.586 7.696 ( -0.489 3.204 -0.002) 3.242 7.858 ( -0.858 -3.130 2.165) 3.901 7.961 ( 1.859 -10.580 3.060) 11.170 7.974 ( -1.654 -2.377 1.300) 3.174 8.225 ( 6.198 -2.630 0.508) 6.752 8.394 ( -12.564 -4.129 6.209) 14.610 8.565 ( -9.296 1.305 -2.431) 9.697 8.684 ( 5.169 -0.126 0.820) 5.236 8.749 ( -2.057 0.212 -3.138) 3.758 8.987 ( 0.080 1.878 0.464) 1.936 9.218 ( 3.183 2.136 6.502) 7.547 9.323 ( -0.681 3.597 4.068) 5.473 10.336 ( -7.549 -6.818 -2.869) 10.569 10.496 ( 11.096 13.136 -2.175) 17.333 10.933 ( 3.676 4.238 6.044) 8.247 11.304 ( -2.224 1.133 -3.106) 3.985 11.494 ( 21.536 4.183 -5.281) 22.565 11.685 ( 15.859 -0.889 -3.640) 16.296 12.170 ( 5.090 4.480 4.512) 8.145 12.230 ( -8.532 -4.587 -0.878) 9.727 12.613 ( -0.676 1.394 -7.343) 7.504 14.176 ( -1.632 -0.989 -2.156) 2.879 14.412 ( -7.488 -14.596 11.631) 20.110 14.545 ( -0.910 2.007 -6.116) 6.501 14.738 ( -1.785 -2.571 5.997) 6.765 14.851 ( 0.247 -5.042 1.337) 5.223 15.154 ( -1.559 -4.812 0.473) 5.080 15.242 ( -0.936 -4.092 -1.349) 4.409 15.274 ( -9.485 -4.361 -3.101) 10.891 15.379 ( -1.091 2.574 -3.377) 4.384 15.605 ( -0.531 -5.774 3.171) 6.609 15.766 ( 4.033 0.698 -2.255) 4.673 15.988 ( 1.268 -10.359 0.898) 10.475 24.567 ( 1.465 1.201 -1.331) 2.315 24.651 ( 1.282 1.822 -0.455) 2.274 24.772 ( -0.621 1.943 1.809) 2.727 24.900 ( 2.567 0.772 -2.363) 3.573 25.053 ( -1.483 0.383 5.591) 5.797 25.456 ( 0.525 -3.745 -2.118) 4.334 25.793 ( -1.684 -0.916 -1.905) 2.702 26.009 ( 3.154 -20.016 34.322) 39.857 26.460 ( -2.938 0.202 0.811) 3.055 26.659 ( -33.792 -16.919 -14.115) 40.340 26.843 ( -2.057 -0.946 -1.451) 2.689 27.867 ( -7.529 -12.107 3.572) 14.698 28.676 ( 1.591 6.279 2.326) 6.882 29.040 ( 0.889 1.099 3.100) 3.407 29.270 ( 3.689 16.460 -1.105) 16.904 30.139 ( 30.456 38.874 -32.035) 58.864 ======================= Grid point 97 (45/104) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 2.502 35.017 12.613) 37.304 1.959 ( -0.383 28.846 24.558) 37.886 2.857 ( 2.811 13.038 -11.106) 17.356 3.166 ( 5.012 -4.539 -0.759) 6.804 3.396 ( -1.562 44.159 18.126) 47.760 3.489 ( -2.128 -8.294 12.190) 14.897 3.669 ( -3.295 0.369 14.474) 14.849 3.929 ( -4.360 -9.695 -1.934) 10.805 4.072 ( -2.019 10.755 -4.243) 11.736 4.334 ( -2.915 -2.513 3.888) 5.471 4.414 ( 6.852 1.464 -11.297) 13.294 4.511 ( 0.701 2.127 8.904) 9.182 4.533 ( 5.248 -0.579 -3.894) 6.561 4.777 ( -1.104 -2.184 1.357) 2.798 4.935 ( -3.175 0.331 7.607) 8.249 5.047 ( 2.674 12.946 2.033) 13.375 5.135 ( -8.263 4.963 6.506) 11.629 5.325 ( -2.133 0.189 -7.308) 7.615 5.412 ( -3.801 -1.994 0.389) 4.310 5.598 ( 4.213 -1.824 -10.061) 11.059 5.824 ( 4.201 -1.078 -0.947) 4.439 6.020 ( 7.931 5.043 0.598) 9.418 6.071 ( -1.174 1.812 -4.161) 4.688 6.258 ( 0.873 4.708 -13.643) 14.459 6.313 ( -9.020 5.863 -11.313) 15.612 6.471 ( -4.905 7.048 -10.205) 13.337 6.729 ( 5.176 18.324 -0.410) 19.045 6.904 ( 0.793 4.414 0.396) 4.502 7.004 ( -2.958 1.954 6.140) 7.090 7.109 ( -3.229 -6.121 -7.832) 10.452 7.232 ( 1.857 14.905 -3.654) 15.459 7.333 ( -7.555 8.130 2.155) 11.306 7.407 ( -2.431 -1.211 -4.368) 5.144 7.523 ( 5.516 11.227 3.011) 12.867 7.624 ( -6.921 6.682 -1.460) 9.730 7.691 ( 1.353 -7.316 1.590) 7.608 7.801 ( 3.422 1.230 4.074) 5.461 7.889 ( -2.698 1.679 -1.186) 3.392 7.963 ( 7.534 0.587 4.939) 9.028 8.170 ( 4.735 -5.639 -1.143) 7.452 8.285 ( -8.498 -1.092 3.098) 9.111 8.435 ( 4.015 -2.943 0.598) 5.014 8.686 ( 7.642 -1.706 -4.211) 8.890 8.787 ( 2.901 1.302 2.627) 4.125 8.980 ( -1.991 -3.308 -1.207) 4.045 9.126 ( -7.457 0.091 -6.464) 9.869 9.525 ( 3.036 -0.975 12.721) 13.115 10.166 ( -0.015 -6.036 -3.756) 7.110 10.770 ( 3.271 -0.118 1.405) 3.562 10.999 ( -2.166 -4.945 4.538) 7.052 11.315 ( -3.239 4.061 -1.367) 5.371 11.496 ( 0.014 -14.712 3.958) 15.235 11.629 ( -2.237 0.064 -1.706) 2.814 12.129 ( 3.112 -7.031 7.954) 11.063 12.279 ( 2.423 1.817 -3.871) 4.915 12.709 ( 4.167 1.685 -5.198) 6.872 14.049 ( -3.194 -2.377 2.142) 4.521 14.251 ( 0.686 -1.192 0.758) 1.571 14.541 ( -2.728 2.894 -4.861) 6.281 14.566 ( 1.867 -8.236 -3.732) 9.233 14.804 ( -4.661 -0.392 1.689) 4.973 14.886 ( 2.023 -10.812 -0.578) 11.015 15.146 ( -1.730 -3.356 1.333) 4.004 15.193 ( 1.319 -1.739 -0.166) 2.189 15.374 ( -1.135 -1.923 1.692) 2.802 15.492 ( 1.353 -6.910 4.757) 8.497 15.713 ( -0.764 -6.354 -3.683) 7.384 15.841 ( 1.643 -3.758 -3.875) 5.642 24.609 ( 0.409 1.714 -0.731) 1.908 24.673 ( -0.643 0.516 -2.023) 2.185 24.822 ( -0.795 3.024 -0.957) 3.270 24.931 ( 1.607 0.125 -2.245) 2.764 25.085 ( -2.697 1.429 5.434) 6.233 25.282 ( -7.308 -5.859 6.493) 11.397 25.710 ( -4.874 2.444 1.946) 5.789 25.820 ( 3.356 -0.539 -0.702) 3.470 26.470 ( 2.093 0.934 3.242) 3.971 26.608 ( 15.360 -5.631 13.331) 21.104 26.828 ( -2.035 2.239 -3.567) 4.678 27.425 ( -5.746 -14.849 -4.899) 16.658 28.861 ( 0.005 6.162 3.124) 6.909 29.042 ( -1.944 -0.259 1.465) 2.448 29.736 ( -0.033 22.011 0.383) 22.015 30.551 ( 4.278 2.499 -21.076) 21.650 ======================= Grid point 98 (46/104) ======================= q-point: ( 0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 14.809 29.380 12.555) 35.216 2.328 ( 13.657 22.030 24.041) 35.353 2.929 ( 14.906 17.657 -15.719) 27.947 3.202 ( 4.235 -1.472 -3.447) 5.655 3.629 ( 0.457 6.040 13.866) 15.131 3.653 ( 4.952 10.195 15.427) 19.143 3.790 ( 3.045 3.028 4.666) 6.341 3.924 ( 5.890 4.937 6.324) 9.953 3.976 ( -4.319 2.417 0.312) 4.959 4.264 ( -4.439 -10.440 -2.474) 11.611 4.426 ( 2.776 2.875 -4.788) 6.237 4.562 ( -2.371 3.353 4.621) 6.182 4.644 ( 5.507 3.685 1.939) 6.904 4.859 ( 4.538 3.827 5.294) 7.954 4.907 ( -7.783 5.806 6.612) 11.747 5.102 ( 6.809 0.594 -2.893) 7.422 5.144 ( -5.584 -0.361 10.910) 12.261 5.172 ( -3.449 0.611 -6.241) 7.157 5.329 ( 1.642 2.048 -1.775) 3.169 5.631 ( 4.061 -0.294 -4.697) 6.217 5.832 ( 2.497 1.858 -4.303) 5.311 6.005 ( -9.428 7.993 -9.505) 15.592 6.087 ( -2.569 3.644 4.565) 6.381 6.117 ( 5.968 10.651 -18.747) 22.372 6.147 ( 7.441 0.235 -7.756) 10.751 6.283 ( -3.394 2.637 -12.831) 13.531 6.732 ( -8.851 9.355 5.444) 13.982 6.774 ( -10.844 17.721 -1.519) 20.831 6.956 ( -6.892 -3.386 -1.818) 7.891 7.055 ( 1.473 3.167 -4.478) 5.679 7.174 ( -8.441 5.271 1.871) 10.126 7.208 ( -2.644 2.363 -0.175) 3.551 7.331 ( -0.908 7.495 -1.063) 7.625 7.477 ( -8.919 0.939 1.421) 9.080 7.620 ( 4.542 6.486 0.562) 7.938 7.705 ( 3.603 1.771 -0.756) 4.085 7.859 ( 1.723 -7.180 5.798) 9.388 7.983 ( 5.456 5.601 -1.425) 7.948 8.092 ( -3.923 -5.054 -1.318) 6.533 8.234 ( 9.513 6.056 3.520) 11.814 8.273 ( 3.240 -1.848 0.469) 3.759 8.479 ( -0.154 -5.576 -2.048) 5.942 8.833 ( 1.989 -3.816 -0.870) 4.390 8.887 ( 6.776 4.745 3.565) 9.008 8.953 ( -3.021 3.291 -5.097) 6.778 8.971 ( 7.863 -4.750 -1.231) 9.268 9.673 ( -0.849 -4.774 13.366) 14.219 10.151 ( 2.639 -9.402 -9.100) 13.348 10.818 ( -2.951 -3.976 4.372) 6.605 10.906 ( -10.101 -1.550 3.455) 10.787 11.187 ( -4.721 2.896 -2.874) 6.240 11.467 ( -4.927 -4.714 -0.706) 6.855 11.676 ( -0.796 2.902 12.430) 12.789 12.006 ( -9.103 2.899 -7.126) 11.919 12.463 ( 10.059 -4.165 -0.745) 10.913 12.686 ( 0.557 -3.131 -4.901) 5.843 14.012 ( -3.483 1.295 3.177) 4.889 14.294 ( 3.707 -3.731 -1.389) 5.440 14.447 ( -1.339 0.534 -2.538) 2.918 14.594 ( 3.272 -7.571 -2.713) 8.683 14.759 ( -1.707 -3.458 2.669) 4.690 14.961 ( 5.944 -7.619 0.172) 9.665 15.134 ( -0.313 -4.055 -0.802) 4.145 15.231 ( 2.543 -0.634 1.076) 2.833 15.373 ( -1.107 -3.648 1.807) 4.219 15.575 ( 2.928 -7.237 4.205) 8.867 15.656 ( -1.643 -7.013 -2.935) 7.778 15.827 ( 0.951 -4.788 -3.067) 5.765 24.599 ( -1.114 1.272 -0.593) 1.792 24.627 ( -1.710 0.970 -1.375) 2.399 24.791 ( -1.775 2.678 -0.147) 3.217 24.924 ( -0.379 -0.306 -1.766) 1.832 25.082 ( -3.065 1.078 5.113) 6.058 25.219 ( -4.384 -3.826 5.502) 8.008 25.696 ( 2.309 5.518 -1.311) 6.123 25.937 ( 7.462 -2.501 2.904) 8.389 26.567 ( 3.984 2.819 3.404) 5.950 26.734 ( -2.250 0.967 -5.270) 5.811 27.109 ( 19.584 -13.884 14.415) 28.002 27.305 ( 1.784 -13.367 -10.030) 16.806 28.875 ( -2.278 5.792 4.531) 7.699 28.999 ( -3.258 0.622 -0.040) 3.317 29.693 ( -5.337 21.893 0.733) 22.546 30.330 ( -6.538 6.449 -17.486) 19.751 ======================= Grid point 99 (47/104) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 14.793 21.881 12.282) 29.129 2.843 ( 18.918 18.970 16.834) 31.641 2.980 ( 8.492 12.071 -13.902) 20.276 3.333 ( 12.553 5.801 -10.674) 17.469 3.523 ( -10.974 7.656 -4.484) 14.112 3.770 ( -5.376 -6.869 7.923) 11.784 3.891 ( 4.324 4.123 7.883) 9.891 3.930 ( -5.566 -2.553 0.927) 6.193 4.167 ( 7.407 8.857 -3.008) 11.932 4.203 ( 0.225 -5.746 7.635) 9.558 4.406 ( -5.993 1.766 4.348) 7.612 4.525 ( -2.417 -0.788 -0.060) 2.543 4.747 ( 0.706 11.262 1.858) 11.436 4.784 ( -4.128 11.317 4.782) 12.961 4.913 ( -0.898 -5.577 -3.048) 6.419 5.045 ( -5.434 5.433 0.621) 7.709 5.192 ( 6.362 0.046 9.879) 11.750 5.304 ( 3.007 -2.365 5.200) 6.455 5.500 ( 11.056 7.524 4.128) 13.996 5.682 ( 10.985 2.641 -4.742) 12.253 5.825 ( -1.918 8.766 -3.588) 9.664 5.879 ( 1.646 -0.039 -2.403) 2.913 6.042 ( -4.166 6.962 -1.287) 8.214 6.067 ( 0.950 9.790 -8.650) 13.098 6.143 ( 11.070 10.076 -13.246) 19.988 6.293 ( 6.732 -3.477 1.550) 7.734 6.428 ( -20.172 5.997 -0.176) 21.045 6.647 ( -4.215 8.335 -4.368) 10.311 6.823 ( -8.874 -0.659 -5.170) 10.291 6.895 ( -3.362 3.188 1.396) 4.839 7.161 ( -3.009 8.903 2.976) 9.857 7.200 ( 0.403 4.213 -0.185) 4.236 7.326 ( 1.032 0.258 -0.221) 1.087 7.395 ( 4.085 1.638 -3.535) 5.645 7.710 ( 2.836 6.924 2.856) 8.009 7.789 ( 5.253 -0.159 0.668) 5.297 7.935 ( 2.997 -5.239 -1.919) 6.333 8.031 ( 2.514 -1.620 1.973) 3.583 8.073 ( -0.056 -0.327 5.405) 5.415 8.228 ( -4.215 -4.010 0.318) 5.826 8.429 ( 6.568 3.649 -0.233) 7.517 8.511 ( 6.671 -4.082 -2.596) 8.241 8.757 ( -5.939 3.414 -4.627) 8.267 8.929 ( 2.775 -1.549 -1.097) 3.362 8.997 ( 5.190 0.869 -1.591) 5.498 9.168 ( 4.879 -1.656 3.731) 6.361 9.743 ( -4.133 -6.584 12.724) 14.911 10.029 ( -5.265 -11.830 -13.458) 18.676 10.653 ( -13.100 2.444 6.155) 14.678 10.889 ( -0.237 -0.599 3.020) 3.088 11.105 ( -2.477 4.623 -2.696) 5.897 11.307 ( -11.251 5.722 0.340) 12.627 11.700 ( -8.932 7.163 -4.821) 12.423 11.783 ( -6.648 -1.746 7.011) 9.819 12.562 ( 5.846 -5.013 -6.288) 9.942 12.720 ( 7.711 0.724 -4.026) 8.729 13.985 ( -2.794 3.919 3.514) 5.960 14.351 ( 3.760 -11.299 -0.885) 11.941 14.444 ( 1.540 -3.121 -0.275) 3.491 14.631 ( 2.465 -5.038 -0.238) 5.614 14.776 ( 0.306 -7.086 2.283) 7.451 15.053 ( 1.241 -7.355 0.157) 7.461 15.135 ( 2.807 -2.115 -1.476) 3.812 15.314 ( 3.587 -0.372 2.225) 4.237 15.370 ( 0.386 -5.904 2.136) 6.291 15.599 ( -2.078 -7.221 -1.757) 7.717 15.667 ( 3.176 -8.739 2.177) 9.550 15.835 ( 3.005 -4.620 -2.288) 5.967 24.561 ( -1.524 1.176 -0.782) 2.078 24.603 ( -1.014 0.556 0.538) 1.276 24.756 ( -2.011 2.161 -0.057) 2.953 24.887 ( -2.023 -0.582 -1.330) 2.490 25.064 ( -4.207 1.327 5.714) 7.219 25.234 ( 0.791 -4.414 3.556) 5.723 25.731 ( 2.714 5.848 -2.475) 6.906 26.086 ( 3.059 -5.698 3.848) 7.526 26.619 ( 1.542 1.992 -4.696) 5.329 26.712 ( 5.394 2.857 0.412) 6.117 27.281 ( 7.558 -8.765 -9.900) 15.231 27.571 ( 15.843 -14.974 9.768) 23.888 28.869 ( -3.049 5.903 5.181) 8.425 28.936 ( -2.924 1.865 -0.669) 3.532 29.559 ( -9.332 21.175 -0.188) 23.141 30.057 ( -8.221 6.456 -10.654) 14.925 ======================= Grid point 100 (48/104) ======================= q-point: ( 0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 3.439 12.407 -0.333) 12.879 2.909 ( -1.744 13.256 0.556) 13.382 3.244 ( 4.755 7.587 -15.657) 18.036 3.371 ( 13.857 15.384 9.791) 22.903 3.451 ( -1.146 5.137 -1.266) 5.413 3.713 ( -5.255 3.681 5.867) 8.694 3.777 ( -5.904 1.211 -3.240) 6.842 3.962 ( 1.840 -2.071 -7.240) 7.752 4.212 ( 3.120 2.266 1.546) 4.155 4.252 ( -6.932 -0.035 7.747) 10.396 4.381 ( -2.837 3.654 13.807) 14.562 4.525 ( 3.781 -8.153 -0.958) 9.038 4.645 ( -5.502 13.263 -1.309) 14.418 4.796 ( -2.979 -8.764 -2.664) 9.633 4.962 ( 2.189 11.693 7.927) 14.295 4.986 ( -2.385 10.045 3.807) 11.003 5.314 ( -2.421 -5.226 2.832) 6.419 5.414 ( 1.248 4.531 6.595) 8.098 5.603 ( 0.826 6.487 -2.523) 7.009 5.733 ( -7.508 9.856 -1.604) 12.493 5.835 ( 5.754 11.938 -7.898) 15.427 5.922 ( -0.657 6.172 5.735) 8.451 5.943 ( -0.954 6.963 -3.492) 7.848 6.081 ( -0.813 -2.421 -0.829) 2.685 6.165 ( 2.347 7.520 -2.608) 8.298 6.230 ( 3.575 4.558 -0.069) 5.793 6.488 ( 12.544 0.932 -0.405) 12.585 6.622 ( 3.320 3.529 -3.582) 6.026 6.693 ( 4.352 -3.936 -2.525) 6.388 6.920 ( 4.521 7.232 -2.282) 8.829 7.144 ( 1.488 6.782 4.361) 8.199 7.185 ( 0.313 3.944 -0.191) 3.961 7.333 ( 2.383 -3.245 -5.179) 6.560 7.576 ( 14.834 1.330 -4.163) 15.464 7.772 ( -0.321 4.440 6.778) 8.109 7.904 ( 4.749 -3.105 2.469) 6.188 7.970 ( 6.089 -6.717 -5.525) 10.617 8.064 ( -0.019 4.006 2.133) 4.538 8.176 ( 1.972 -3.519 1.632) 4.351 8.218 ( 3.057 -3.117 5.863) 7.310 8.513 ( 3.907 5.585 -0.459) 6.831 8.555 ( -3.662 2.415 -2.627) 5.113 8.638 ( 0.110 -2.761 -1.744) 3.267 8.936 ( -0.065 -3.813 -1.872) 4.248 9.040 ( 0.561 -0.904 -1.924) 2.198 9.174 ( -3.551 0.160 -0.915) 3.671 9.676 ( -16.197 -8.508 -0.161) 18.296 9.802 ( -7.326 -7.790 1.040) 10.745 10.521 ( -5.370 5.886 1.580) 8.123 10.898 ( -0.992 2.178 1.825) 3.010 11.016 ( -5.181 6.847 -0.911) 8.634 11.098 ( -13.149 5.678 0.847) 14.347 11.486 ( -3.765 7.254 -4.391) 9.278 11.762 ( -5.236 2.508 6.303) 8.569 12.610 ( 5.914 -7.168 -5.835) 10.973 12.845 ( 9.548 4.548 -5.087) 11.735 13.975 ( -2.324 5.462 4.308) 7.334 14.408 ( 3.002 -13.787 -0.449) 14.117 14.489 ( 3.248 -8.525 0.308) 9.128 14.679 ( 1.445 -1.481 2.446) 3.204 14.797 ( 0.554 -9.280 0.461) 9.308 15.015 ( -3.158 -4.434 -2.107) 5.837 15.185 ( 2.563 -1.441 0.291) 2.955 15.314 ( -1.964 -8.927 0.486) 9.154 15.493 ( 5.955 -4.386 3.294) 8.096 15.542 ( -3.045 -8.794 0.288) 9.311 15.723 ( 2.660 -5.429 -1.482) 6.225 15.891 ( 4.665 -5.282 -1.802) 7.274 24.542 ( -0.168 1.008 0.155) 1.034 24.593 ( -0.819 0.174 1.036) 1.332 24.719 ( -1.887 1.808 -0.152) 2.618 24.830 ( -2.776 -0.320 -1.107) 3.005 25.043 ( -3.898 1.957 5.880) 7.321 25.291 ( 1.958 -5.667 2.641) 6.552 25.739 ( 1.366 4.656 -3.724) 6.117 26.075 ( -4.421 -5.808 -0.857) 7.349 26.642 ( 4.597 2.443 -2.294) 5.689 26.894 ( 11.847 2.328 2.832) 12.402 27.329 ( 5.321 -5.337 -7.344) 10.523 27.882 ( 10.423 -13.281 5.302) 17.696 28.866 ( -0.892 6.562 2.008) 6.920 28.894 ( -2.289 4.450 2.558) 5.620 29.372 ( -9.834 18.967 -0.983) 21.387 29.843 ( -6.597 3.337 -6.419) 9.790 ======================= Grid point 101 (49/104) ======================= q-point: ( 0.40 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -7.387 12.138 2.599) 14.445 2.979 ( 2.808 3.915 3.015) 5.684 3.233 ( -2.689 8.522 -1.570) 9.073 3.340 ( -0.655 3.270 -5.198) 6.176 3.441 ( -1.411 15.730 -5.987) 16.889 3.676 ( -3.238 -0.502 -3.424) 4.739 3.894 ( 13.199 15.203 -0.397) 20.138 3.973 ( 5.396 8.156 -2.428) 10.076 4.164 ( -8.990 -6.315 6.169) 12.600 4.238 ( 1.681 -1.091 2.617) 3.296 4.507 ( -1.620 8.030 2.945) 8.705 4.558 ( -1.518 7.896 9.251) 12.257 4.636 ( 5.340 -10.420 -2.464) 11.966 4.741 ( 0.706 -6.752 -0.454) 6.804 4.899 ( -13.217 18.248 4.896) 23.058 5.006 ( -6.415 5.691 7.785) 11.582 5.250 ( -7.550 -6.095 3.590) 10.346 5.348 ( -2.660 4.629 -6.226) 8.201 5.566 ( 1.882 -1.802 0.805) 2.727 5.647 ( -5.267 13.693 2.487) 14.880 5.756 ( -1.215 6.339 -1.491) 6.625 5.918 ( 0.824 12.482 2.264) 12.712 6.010 ( -2.876 18.006 -2.752) 18.440 6.078 ( 4.570 4.095 0.927) 6.206 6.242 ( 7.690 -3.933 0.649) 8.662 6.320 ( -0.385 1.464 4.650) 4.891 6.623 ( 0.065 -8.885 6.501) 11.009 6.715 ( 11.353 0.121 -6.585) 13.125 6.794 ( 4.173 8.284 -2.496) 9.606 7.031 ( 9.519 7.748 -5.847) 13.596 7.249 ( 7.165 -0.820 -2.232) 7.549 7.301 ( 2.537 -0.689 -3.412) 4.308 7.372 ( 16.560 3.868 0.471) 17.012 7.736 ( 3.327 0.959 2.664) 4.369 7.830 ( 1.355 -0.682 -2.733) 3.126 7.954 ( 0.854 -4.903 -1.182) 5.116 8.004 ( 0.866 -6.172 -6.286) 8.852 8.088 ( -0.775 3.560 -0.401) 3.666 8.215 ( 4.991 1.962 3.206) 6.248 8.372 ( 3.549 0.516 6.568) 7.484 8.454 ( -1.991 -0.320 -3.149) 3.739 8.509 ( -3.517 2.664 -1.958) 4.827 8.682 ( 4.779 -0.139 -0.321) 4.792 8.942 ( 1.052 -5.211 -1.724) 5.589 8.982 ( -2.637 -6.017 -1.816) 6.816 9.100 ( -2.545 5.864 1.568) 6.582 9.356 ( -14.488 -4.285 -0.627) 15.122 9.612 ( -14.063 -4.183 0.364) 14.677 10.486 ( -0.599 3.713 1.219) 3.953 10.842 ( -9.447 1.767 -2.312) 9.885 10.923 ( -0.633 5.049 1.479) 5.299 10.941 ( -3.703 5.323 3.634) 7.433 11.474 ( 1.038 8.553 2.340) 8.928 11.717 ( -3.466 8.160 2.355) 9.173 12.665 ( 5.064 -7.381 -4.352) 9.953 12.943 ( 6.587 4.349 -6.726) 10.370 13.982 ( -1.856 6.364 5.540) 8.640 14.454 ( 2.193 -14.332 0.146) 14.500 14.548 ( 2.262 -10.810 0.004) 11.044 14.717 ( -1.187 0.188 4.167) 4.337 14.812 ( 2.045 -9.016 -1.493) 9.365 14.924 ( -2.887 -3.382 -3.713) 5.794 15.237 ( 1.791 -2.667 2.213) 3.901 15.284 ( -1.477 -11.566 0.240) 11.662 15.479 ( -3.282 -11.182 0.565) 11.667 15.598 ( 2.144 -4.729 0.106) 5.193 15.751 ( 2.414 -2.768 -1.372) 3.921 15.946 ( 3.209 -5.221 -2.903) 6.781 24.553 ( 0.368 0.734 1.317) 1.552 24.592 ( -0.132 -0.120 0.703) 0.726 24.689 ( -1.338 1.820 0.230) 2.271 24.774 ( -1.951 0.334 -1.149) 2.288 25.030 ( -3.559 2.375 5.775) 7.187 25.343 ( 1.040 -6.771 2.117) 7.170 25.723 ( 1.287 2.955 -4.163) 5.265 25.979 ( -2.936 -4.384 -3.134) 6.137 26.718 ( 4.138 3.228 0.732) 5.299 27.137 ( 8.638 7.313 3.651) 11.893 27.331 ( 2.083 -9.503 -3.436) 10.317 28.039 ( 3.771 -12.306 -0.091) 12.871 28.882 ( 2.459 7.372 -1.151) 7.856 28.889 ( -3.173 9.451 5.332) 11.305 29.212 ( -6.388 14.832 0.272) 16.152 29.698 ( -3.077 -0.127 -5.513) 6.315 ======================= Grid point 102 (50/104) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -1.072 11.365 8.328) 14.131 3.075 ( -3.630 9.848 2.564) 10.805 3.081 ( -4.059 3.064 4.920) 7.077 3.379 ( 6.610 7.142 -3.385) 10.303 3.433 ( 8.672 14.361 -12.174) 20.728 3.606 ( 1.030 0.167 -3.333) 3.493 3.948 ( -2.097 1.419 0.724) 2.633 4.071 ( -3.123 -2.680 -1.512) 4.385 4.081 ( 3.094 11.842 -0.319) 12.244 4.322 ( -7.087 -0.279 4.158) 8.222 4.419 ( 1.263 8.259 -5.453) 9.977 4.537 ( -6.833 -1.702 -1.119) 7.130 4.637 ( -0.508 -2.706 3.659) 4.579 4.679 ( -8.008 17.371 0.800) 19.145 4.886 ( 6.211 8.316 4.191) 11.193 4.945 ( -0.469 -5.169 2.908) 5.949 5.209 ( -2.688 -3.939 8.315) 9.585 5.347 ( 1.619 4.332 3.168) 5.606 5.584 ( -0.728 11.511 -2.373) 11.775 5.658 ( 2.236 -1.802 6.463) 7.072 5.766 ( -0.596 4.089 3.821) 5.628 5.915 ( -2.880 12.325 -3.315) 13.084 5.952 ( 3.500 7.916 -0.550) 8.673 6.138 ( -2.441 9.812 3.144) 10.588 6.355 ( 0.646 -0.463 6.107) 6.158 6.427 ( 8.351 3.507 6.301) 11.034 6.664 ( -5.719 3.557 8.778) 11.064 6.715 ( 1.554 4.905 -7.825) 9.365 6.814 ( -0.457 -3.545 -7.094) 7.943 7.097 ( 4.580 7.953 -10.991) 14.318 7.284 ( 2.933 -2.012 -1.316) 3.792 7.435 ( 7.351 -3.928 1.826) 8.533 7.566 ( -5.263 3.126 2.645) 6.668 7.669 ( -5.146 3.728 -7.541) 9.861 7.827 ( 4.347 -5.606 -4.118) 8.202 7.888 ( -3.338 -4.917 -6.367) 8.710 8.014 ( 5.622 -6.340 0.881) 8.520 8.106 ( 0.372 1.386 -1.289) 1.929 8.236 ( -7.247 -2.326 -1.569) 7.772 8.263 ( -4.166 1.720 -4.748) 6.547 8.489 ( 1.735 7.098 -0.016) 7.307 8.520 ( -0.002 1.745 4.591) 4.911 8.729 ( -0.157 -2.544 -0.915) 2.708 8.834 ( -3.377 -4.590 -3.125) 6.499 9.050 ( 10.475 -3.195 -2.241) 11.179 9.138 ( -6.519 1.921 0.018) 6.796 9.183 ( 0.787 0.282 7.000) 7.050 9.466 ( 1.268 -0.460 0.586) 1.471 10.494 ( -0.458 3.244 2.089) 3.885 10.712 ( -0.337 3.175 -3.856) 5.006 10.908 ( -2.463 5.121 3.174) 6.509 10.987 ( 2.597 0.383 4.499) 5.209 11.522 ( 0.559 9.275 4.482) 10.316 11.693 ( -1.169 10.880 1.284) 11.018 12.705 ( 2.831 -7.663 -2.933) 8.679 12.947 ( 1.628 3.409 -8.891) 9.660 14.012 ( -1.478 6.417 7.485) 9.969 14.476 ( -0.234 -14.250 -0.667) 14.267 14.560 ( 0.218 -6.310 -0.689) 6.351 14.697 ( -4.176 -2.590 2.770) 5.641 14.828 ( 0.286 -6.233 -2.462) 6.707 14.897 ( 3.722 -7.520 -1.874) 8.597 15.248 ( -2.725 -11.001 2.897) 11.698 15.308 ( 2.377 -5.979 2.022) 6.745 15.445 ( -0.163 -11.004 -0.152) 11.006 15.573 ( -2.492 -4.914 -3.478) 6.516 15.786 ( 1.404 -1.621 0.079) 2.146 15.944 ( 0.116 -4.285 -4.248) 6.035 24.562 ( -0.997 0.740 1.698) 2.104 24.610 ( 1.242 -0.830 0.635) 1.623 24.673 ( -0.719 2.396 0.617) 2.577 24.752 ( 0.923 0.753 -1.158) 1.661 25.019 ( -3.451 2.446 5.676) 7.079 25.363 ( -0.903 -7.492 1.850) 7.770 25.716 ( 2.064 1.827 -3.812) 4.705 25.927 ( 0.770 -4.041 -3.897) 5.666 26.796 ( 1.934 4.628 3.820) 6.305 27.139 ( -5.190 8.722 -4.222) 10.992 27.462 ( 7.253 -10.867 7.352) 14.992 28.011 ( -3.829 -11.660 -5.548) 13.468 28.852 ( -4.446 11.444 2.326) 12.495 28.927 ( 2.052 8.496 0.303) 8.745 29.172 ( 0.452 11.865 2.978) 12.241 29.643 ( 3.199 -1.491 -5.853) 6.835 ======================= Grid point 103 (51/104) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -7.924 13.526 -3.519) 16.066 2.940 ( -2.570 17.027 4.273) 17.742 3.127 ( -6.472 5.642 2.573) 8.963 3.439 ( 7.329 6.861 -11.798) 15.491 3.516 ( 9.505 5.425 -4.349) 11.776 3.716 ( 6.851 2.957 6.834) 10.119 3.890 ( -3.952 -9.519 2.123) 10.524 3.980 ( -10.000 5.760 7.788) 13.923 4.066 ( -0.759 -0.155 -11.328) 11.355 4.177 ( 3.421 7.681 -1.471) 8.536 4.426 ( -2.330 6.987 4.319) 8.539 4.511 ( 0.294 1.199 0.250) 1.260 4.572 ( -1.804 11.437 -0.418) 11.586 4.709 ( 4.536 4.709 5.723) 8.690 4.952 ( 0.932 -3.407 -1.926) 4.023 5.078 ( 4.866 11.502 3.556) 12.985 5.250 ( 0.583 -4.108 4.025) 5.780 5.377 ( -6.687 2.172 10.448) 12.593 5.569 ( 2.735 7.114 -4.966) 9.096 5.686 ( -2.423 0.403 -1.220) 2.743 5.787 ( -2.067 6.707 2.245) 7.368 5.878 ( -2.405 10.206 5.860) 12.012 6.038 ( 0.446 -1.126 3.706) 3.899 6.119 ( 5.285 6.827 -1.241) 8.723 6.369 ( -6.331 2.316 3.505) 7.598 6.538 ( -7.555 7.812 -3.837) 11.525 6.631 ( 1.705 6.996 4.144) 8.308 6.692 ( 0.534 3.884 2.817) 4.827 6.782 ( 7.000 8.608 2.412) 11.355 7.016 ( -1.728 5.173 -10.463) 11.799 7.255 ( -8.741 -0.945 1.333) 8.892 7.343 ( -11.964 -2.398 0.471) 12.211 7.441 ( -3.901 -6.200 -7.306) 10.346 7.636 ( -2.409 -0.878 -1.455) 2.948 7.753 ( 5.421 -2.250 -5.175) 7.825 7.827 ( -2.887 -7.380 -5.105) 9.426 7.996 ( -5.014 -3.945 -6.674) 9.232 8.062 ( -3.230 -5.009 1.819) 6.231 8.090 ( -9.840 2.778 5.072) 11.414 8.269 ( 1.561 5.828 -0.500) 6.054 8.475 ( 2.674 4.783 -2.386) 5.976 8.508 ( -3.111 1.898 1.236) 3.848 8.734 ( 0.972 -9.196 1.759) 9.413 8.788 ( 1.392 3.226 -5.664) 6.665 9.104 ( 2.497 -2.324 0.567) 3.458 9.209 ( 3.040 5.456 0.916) 6.312 9.346 ( 11.629 -7.414 3.354) 14.193 9.588 ( 10.809 1.345 -1.259) 10.965 10.504 ( -0.990 4.687 2.397) 5.356 10.770 ( 9.917 3.778 -3.333) 11.123 10.890 ( -1.973 5.943 1.599) 6.462 11.102 ( 4.843 -1.370 4.708) 6.892 11.595 ( 3.242 9.169 5.415) 11.131 11.680 ( -1.730 9.146 0.998) 9.361 12.711 ( 0.337 -8.014 -2.043) 8.277 12.842 ( -2.972 1.928 -10.672) 11.245 14.059 ( -2.090 3.776 8.900) 9.891 14.440 ( -0.634 -4.319 -2.825) 5.200 14.569 ( -0.410 -8.973 2.119) 9.229 14.637 ( -3.756 -5.712 0.972) 6.905 14.790 ( -1.868 -6.855 -2.457) 7.517 14.964 ( 4.499 -9.240 -2.150) 10.499 15.228 ( -2.195 -9.820 3.031) 10.509 15.366 ( 0.973 -8.604 3.238) 9.244 15.448 ( -2.619 -4.968 -2.894) 6.318 15.501 ( 1.723 -8.363 -0.298) 8.544 15.781 ( -2.262 -1.413 -0.617) 2.737 15.880 ( -1.861 -2.700 -4.805) 5.817 24.560 ( -0.484 1.011 1.196) 1.639 24.625 ( -0.740 -0.399 1.574) 1.784 24.690 ( 2.285 2.202 -0.041) 3.173 24.781 ( 2.992 0.593 -0.909) 3.183 25.010 ( -3.272 2.194 5.774) 6.989 25.347 ( -2.691 -7.711 2.158) 8.448 25.725 ( 2.242 1.498 -3.121) 4.125 25.921 ( 2.780 -4.560 -5.370) 7.573 26.856 ( -0.656 6.101 6.442) 8.897 26.965 ( -8.674 6.794 -4.270) 11.817 27.636 ( 2.727 -9.908 9.121) 13.741 27.808 ( -10.357 -11.647 -9.445) 18.224 28.790 ( -3.291 9.703 0.401) 10.254 28.950 ( -0.719 5.226 2.649) 5.903 29.266 ( 6.665 14.141 1.819) 15.739 29.715 ( 10.392 1.198 -5.356) 11.752 ======================= Grid point 104 (52/104) ======================= q-point: (-0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -17.743 22.334 -7.160) 29.409 2.824 ( -20.810 16.716 -2.767) 26.835 3.020 ( 3.020 11.772 -1.034) 12.197 3.442 ( 1.855 -2.355 -7.287) 7.879 3.641 ( 5.226 -1.227 -4.377) 6.926 3.779 ( -3.483 5.138 5.547) 8.325 3.892 ( -3.465 6.919 5.233) 9.341 4.010 ( 8.376 1.320 8.414) 11.946 4.057 ( 1.911 -2.502 -3.302) 4.563 4.194 ( -1.347 9.328 -3.345) 10.001 4.454 ( 0.948 16.011 5.887) 17.085 4.526 ( -0.015 -5.234 4.624) 6.984 4.571 ( -0.288 7.250 -1.126) 7.342 4.833 ( -1.271 6.431 6.819) 9.459 4.876 ( -4.004 -1.006 -8.543) 9.488 5.156 ( 3.264 1.556 2.723) 4.526 5.284 ( -1.228 3.534 4.565) 5.902 5.309 ( -9.848 2.349 8.897) 13.478 5.531 ( -1.222 -1.327 -6.085) 6.346 5.625 ( -4.024 3.431 -0.342) 5.299 5.708 ( -2.218 0.929 -2.120) 3.205 5.893 ( -3.390 17.385 7.948) 19.414 5.985 ( -8.075 8.655 -3.248) 12.275 6.169 ( 3.970 -1.854 0.352) 4.396 6.365 ( 4.512 4.555 -0.890) 6.473 6.541 ( 9.738 4.517 2.764) 11.085 6.682 ( 3.645 8.614 1.295) 9.443 6.753 ( -1.582 -3.370 2.425) 4.444 6.825 ( -3.065 3.078 -1.054) 4.470 6.969 ( -0.110 13.054 -1.181) 13.108 7.132 ( -4.111 2.534 6.218) 7.874 7.185 ( -1.409 -4.015 -1.265) 4.440 7.274 ( -5.128 -6.561 -5.349) 9.898 7.650 ( 5.950 -1.543 -9.444) 11.268 7.727 ( -3.922 -5.123 0.391) 6.464 7.772 ( -0.595 -2.365 -7.848) 8.219 7.844 ( -3.702 -6.569 0.540) 7.560 7.965 ( -8.581 5.819 7.406) 12.742 8.026 ( -3.856 3.077 3.015) 5.782 8.237 ( -3.030 4.739 0.477) 5.645 8.471 ( -1.947 1.261 0.037) 2.320 8.568 ( 6.436 1.256 -2.063) 6.875 8.756 ( 0.530 -7.213 -0.151) 7.234 8.775 ( 2.084 2.036 -4.376) 5.258 9.130 ( -1.437 -3.236 -0.709) 3.611 9.227 ( -2.402 6.958 2.102) 7.655 9.436 ( -0.461 -3.858 -2.681) 4.721 9.927 ( 24.579 -6.208 0.537) 25.357 10.494 ( -2.163 3.264 1.333) 4.136 10.840 ( -1.977 2.064 0.482) 2.898 11.003 ( 14.727 8.012 -1.791) 16.861 11.220 ( 3.606 -1.755 3.489) 5.315 11.600 ( -5.060 6.906 -1.271) 8.655 11.803 ( 11.031 7.594 7.171) 15.191 12.645 ( -6.243 -1.616 -10.290) 12.144 12.688 ( -1.184 -6.508 -3.794) 7.626 14.087 ( -2.915 -2.618 6.962) 7.989 14.418 ( -1.093 0.067 -0.548) 1.225 14.566 ( -1.502 -2.876 3.537) 4.799 14.613 ( 0.104 -9.620 0.592) 9.639 14.722 ( -2.483 -5.763 -2.116) 6.623 15.001 ( 2.030 -11.550 -3.193) 12.154 15.224 ( -1.187 -8.375 1.442) 8.581 15.335 ( -3.989 -1.629 -0.653) 4.358 15.408 ( -1.489 -7.731 3.410) 8.580 15.585 ( 4.704 -10.599 1.824) 11.739 15.680 ( -6.434 -0.611 -2.650) 6.985 15.817 ( -0.572 -1.026 -3.726) 3.906 24.569 ( 0.606 1.408 0.477) 1.605 24.628 ( -0.291 0.472 1.585) 1.679 24.740 ( 3.006 1.879 0.014) 3.545 24.834 ( 3.636 0.322 -1.114) 3.816 25.010 ( -2.700 1.737 6.223) 7.002 25.315 ( -3.370 -7.662 3.467) 9.059 25.735 ( 1.252 1.547 -1.600) 2.553 25.908 ( 1.607 -4.391 -6.828) 8.275 26.758 ( -9.272 5.317 -3.568) 11.268 26.895 ( -2.273 6.750 7.137) 10.083 27.462 ( -16.295 -12.282 -11.895) 23.619 27.720 ( -3.131 -11.773 8.583) 14.902 28.752 ( -0.798 7.944 0.099) 7.985 28.967 ( -0.234 1.669 3.482) 3.868 29.422 ( 9.042 17.188 -0.022) 19.421 29.917 ( 16.807 5.390 -4.978) 18.338 ======================= Grid point 105 (53/104) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -17.997 27.694 0.178) 33.029 2.377 ( -24.240 26.171 -0.337) 35.674 3.033 ( 1.222 6.558 -5.264) 8.498 3.371 ( -5.455 -5.223 -2.718) 8.027 3.575 ( -6.633 -5.364 1.489) 8.660 3.768 ( -10.090 17.236 -0.025) 19.973 3.798 ( -17.790 30.715 8.090) 36.405 3.976 ( 3.272 -8.520 1.360) 9.228 4.161 ( 1.376 1.711 2.922) 3.655 4.223 ( -0.015 9.844 2.431) 10.140 4.458 ( -3.159 -0.386 -3.058) 4.414 4.505 ( -1.622 5.236 -5.719) 7.922 4.610 ( 1.275 -2.513 4.247) 5.097 4.734 ( -1.176 -3.744 -2.641) 4.731 4.828 ( -0.002 2.258 5.738) 6.166 5.122 ( -9.734 3.007 5.738) 11.692 5.258 ( 0.055 5.560 -0.899) 5.633 5.330 ( -2.807 5.547 8.872) 10.833 5.510 ( -6.624 0.551 -0.349) 6.656 5.598 ( 10.616 3.422 -0.386) 11.160 5.690 ( 1.694 -8.194 -3.195) 8.957 5.840 ( -0.038 4.793 -4.892) 6.848 5.969 ( 3.859 18.734 4.186) 19.580 6.271 ( 7.751 2.820 -1.507) 8.385 6.404 ( -2.276 1.203 -1.846) 3.168 6.608 ( 3.025 13.828 -4.339) 14.805 6.750 ( -4.351 0.735 1.323) 4.607 6.797 ( 7.226 -0.778 -0.457) 7.282 6.918 ( 9.714 6.873 0.443) 11.908 6.962 ( 0.790 2.854 9.642) 10.087 7.128 ( 1.157 1.290 -1.800) 2.499 7.192 ( 4.114 -4.512 -0.878) 6.169 7.297 ( 7.019 5.189 -1.005) 8.786 7.552 ( -3.750 -15.627 -3.751) 16.503 7.640 ( -2.737 -0.071 -5.068) 5.760 7.746 ( -1.551 4.391 -3.690) 5.941 7.861 ( -1.588 1.345 3.805) 4.337 7.927 ( 2.746 2.518 0.365) 3.744 7.983 ( -4.892 10.158 4.009) 11.966 8.192 ( -1.828 3.379 0.220) 3.848 8.417 ( -6.358 -4.623 3.550) 8.626 8.626 ( 1.182 -2.983 -1.750) 3.655 8.674 ( -4.088 -1.618 -2.461) 5.038 8.815 ( 1.851 1.489 -4.964) 5.503 9.057 ( -4.706 -0.583 -0.810) 4.811 9.179 ( -1.672 1.423 2.604) 3.406 9.388 ( -2.386 -1.024 -0.669) 2.681 10.379 ( 21.678 -9.332 -0.187) 23.602 10.434 ( -5.076 2.761 0.099) 5.779 10.840 ( 2.086 1.929 1.981) 3.464 11.242 ( 10.923 0.122 0.140) 10.924 11.307 ( 2.775 -1.423 1.816) 3.609 11.489 ( -2.815 4.861 -1.006) 5.707 12.086 ( 9.959 4.790 6.476) 12.809 12.408 ( -7.350 -1.287 -10.650) 13.004 12.637 ( 0.063 -5.179 -5.192) 7.334 14.090 ( -2.394 -6.404 4.547) 8.210 14.357 ( -4.350 -2.493 -1.009) 5.114 14.587 ( -1.210 -8.645 -0.094) 8.730 14.625 ( 1.938 1.172 -0.186) 2.273 14.713 ( 0.768 -2.011 5.549) 5.952 14.976 ( -1.450 -12.707 -2.879) 13.110 15.196 ( -1.077 -3.585 -1.166) 3.921 15.292 ( -4.094 -3.552 3.380) 6.387 15.397 ( -1.836 -7.508 2.293) 8.062 15.531 ( -6.554 -0.841 -1.678) 6.817 15.687 ( 4.099 -9.058 1.459) 10.049 15.792 ( 1.758 0.091 -3.647) 4.049 24.587 ( 1.295 1.842 -0.704) 2.359 24.648 ( 0.897 0.662 1.373) 1.769 24.793 ( 2.609 2.324 0.008) 3.494 24.884 ( 3.199 0.338 -1.953) 3.763 25.031 ( -1.632 1.247 6.935) 7.233 25.299 ( -2.812 -7.646 5.844) 10.026 25.746 ( -0.187 1.038 2.287) 2.518 25.855 ( -0.434 -2.370 -5.895) 6.368 26.574 ( -7.277 2.521 -2.685) 8.156 26.906 ( -3.101 4.978 5.016) 7.717 26.996 ( -21.284 -9.988 -13.214) 26.970 27.687 ( -7.627 -13.397 6.191) 16.613 28.767 ( 1.802 7.091 0.825) 7.363 29.005 ( 0.600 -0.138 3.397) 3.452 29.578 ( 8.083 19.540 -0.788) 21.160 30.219 ( 21.800 6.591 -7.683) 24.036 ======================= Grid point 106 (54/104) ======================= q-point: (-0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -10.077 31.439 14.328) 35.990 2.002 ( -18.354 33.767 7.488) 39.155 2.976 ( -0.912 6.742 -8.169) 10.631 3.179 ( -10.288 -1.782 -0.328) 10.447 3.440 ( -12.729 30.779 7.688) 34.183 3.514 ( -13.592 8.128 9.393) 18.413 3.653 ( -7.243 0.596 10.221) 12.541 4.029 ( -4.335 -11.937 4.523) 13.481 4.116 ( 2.908 9.706 -11.131) 15.052 4.297 ( -1.249 10.974 11.292) 15.796 4.389 ( 2.546 -5.697 -6.472) 8.990 4.461 ( 2.129 3.331 -4.103) 5.698 4.556 ( -0.623 -3.660 -7.563) 8.425 4.777 ( 0.013 -0.873 4.776) 4.856 4.914 ( -1.051 -4.228 6.039) 7.446 5.026 ( -6.052 11.456 7.257) 14.851 5.258 ( -8.698 8.763 5.102) 13.360 5.341 ( 5.896 0.327 0.361) 5.916 5.423 ( -2.311 1.872 -1.338) 3.261 5.668 ( 1.328 -4.497 -10.890) 11.856 5.724 ( 6.478 -3.744 -2.424) 7.865 5.878 ( 6.244 6.679 -1.437) 9.256 6.146 ( 7.547 10.629 0.991) 13.074 6.259 ( -4.553 0.791 -2.943) 5.479 6.414 ( 5.439 4.602 -2.080) 7.422 6.643 ( 5.268 13.634 -6.891) 16.159 6.657 ( -5.408 6.371 -2.888) 8.842 6.853 ( 0.790 1.507 0.388) 1.745 7.005 ( 1.910 7.073 -1.223) 7.428 7.143 ( 4.800 7.535 4.655) 10.074 7.212 ( 2.384 -4.001 -1.296) 4.835 7.270 ( 12.230 8.941 -0.539) 15.159 7.415 ( 4.078 -0.580 -3.308) 5.283 7.500 ( -0.485 -5.771 -5.945) 8.300 7.570 ( 3.240 -1.904 -1.383) 4.005 7.696 ( 0.073 1.578 0.716) 1.734 7.815 ( -7.695 8.048 4.201) 11.901 7.906 ( -5.510 4.742 4.182) 8.387 7.996 ( 2.744 3.306 -3.274) 5.401 8.147 ( -4.135 -3.791 0.523) 5.634 8.319 ( -6.492 -2.860 6.452) 9.590 8.526 ( -6.742 -6.225 -3.567) 9.846 8.659 ( 2.228 0.172 -4.206) 4.763 8.749 ( -0.441 0.183 -3.328) 3.362 9.000 ( -0.878 -1.222 0.369) 1.549 9.224 ( 0.135 -1.338 1.724) 2.187 9.384 ( 0.762 1.318 6.649) 6.821 10.277 ( -7.922 -2.803 -3.128) 8.967 10.666 ( 9.561 0.977 -1.543) 9.734 10.944 ( 3.017 -4.255 5.090) 7.288 11.309 ( 0.885 -1.865 0.550) 2.137 11.415 ( 5.692 -4.005 1.763) 7.180 11.589 ( 9.931 -3.394 1.594) 10.615 12.078 ( -8.445 -7.969 -1.089) 11.662 12.333 ( -0.369 6.814 0.819) 6.873 12.637 ( 7.585 0.875 -7.472) 10.683 14.082 ( -2.409 -5.502 2.571) 6.534 14.272 ( -3.659 -2.274 0.345) 4.322 14.557 ( 0.815 -4.157 -3.523) 5.509 14.628 ( -1.124 -4.175 -1.820) 4.691 14.800 ( 1.462 -0.690 4.809) 5.073 14.920 ( -2.873 -10.703 -0.409) 11.090 15.181 ( 0.528 -2.346 -1.055) 2.626 15.206 ( -6.542 -2.656 1.805) 7.287 15.392 ( -2.070 -4.268 1.940) 5.125 15.450 ( -1.054 -3.324 1.680) 3.871 15.737 ( 0.898 -8.441 -1.138) 8.565 15.820 ( 4.286 -0.820 -3.589) 5.650 24.602 ( 1.243 1.961 -1.148) 2.590 24.676 ( 1.163 0.493 -0.169) 1.274 24.827 ( 1.197 2.906 -0.652) 3.210 24.914 ( 2.515 0.366 -2.512) 3.573 25.069 ( -1.483 1.185 6.518) 6.789 25.314 ( -2.920 -7.571 6.859) 10.625 25.763 ( -3.072 -0.572 5.144) 6.019 25.818 ( -0.284 -1.859 0.120) 1.884 26.464 ( -2.816 0.301 0.160) 2.837 26.525 ( -13.620 -2.034 -6.692) 15.311 26.886 ( -2.414 4.343 0.344) 4.981 27.573 ( -8.352 -14.539 1.521) 16.835 28.818 ( 1.973 6.602 1.871) 7.140 29.040 ( -0.114 -0.624 2.742) 2.815 29.692 ( 4.778 21.263 -0.466) 21.798 30.506 ( 18.861 2.952 -15.266) 24.444 ======================= Grid point 107 (55/104) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 2.303 27.422 15.884) 31.773 2.601 ( -3.769 29.931 8.102) 31.237 3.017 ( 3.081 -13.202 6.403) 14.992 3.082 ( 2.266 6.037 3.969) 7.572 3.169 ( 1.244 -16.169 10.350) 19.238 3.316 ( -3.025 -17.060 12.608) 21.428 3.836 ( -4.285 4.593 -5.506) 8.353 4.053 ( -3.875 -12.126 -4.076) 13.367 4.258 ( 0.205 11.228 -0.846) 11.262 4.269 ( 3.465 10.698 -8.508) 14.101 4.406 ( 3.270 -1.133 -5.678) 6.649 4.489 ( 6.797 -4.480 -3.587) 8.896 4.772 ( -2.522 11.069 11.055) 15.846 4.838 ( -3.811 6.844 4.985) 9.286 4.968 ( 0.336 3.601 12.642) 13.149 5.149 ( -1.509 -7.275 5.189) 9.063 5.290 ( -1.841 3.954 -8.567) 9.614 5.373 ( -1.815 -0.144 -2.762) 3.308 5.461 ( -1.701 16.288 -1.178) 16.418 5.627 ( -4.079 4.138 2.791) 6.447 5.792 ( 5.244 -0.487 -4.750) 7.093 5.976 ( -0.713 -8.758 -2.317) 9.088 6.079 ( 6.104 3.073 -10.791) 12.773 6.229 ( 3.438 -6.581 -11.712) 13.867 6.437 ( -4.141 4.760 -10.191) 11.986 6.539 ( -4.172 -2.658 -8.253) 9.622 6.832 ( -1.816 -5.447 2.693) 6.342 6.849 ( -0.396 -5.750 5.628) 8.056 7.063 ( -2.238 6.110 5.604) 8.588 7.094 ( -4.144 0.439 7.901) 8.933 7.404 ( -3.193 9.007 -4.075) 10.389 7.498 ( 0.830 5.708 -1.421) 5.941 7.579 ( 2.250 -1.150 0.159) 2.532 7.600 ( 2.032 0.134 0.094) 2.039 7.733 ( 8.847 2.526 -4.572) 10.274 7.792 ( -15.653 1.933 -1.585) 15.852 7.861 ( -2.654 13.829 -3.511) 14.513 7.908 ( 5.525 -1.490 1.194) 5.846 8.010 ( 4.313 1.585 -0.584) 4.632 8.225 ( 1.053 8.429 -3.152) 9.061 8.250 ( 4.341 -4.631 -1.353) 6.490 8.458 ( 2.268 5.256 3.098) 6.509 8.692 ( 3.238 0.665 -1.660) 3.699 8.814 ( -5.174 -0.650 -2.393) 5.738 8.903 ( 6.423 8.446 4.724) 11.615 9.203 ( -1.375 -0.087 6.285) 6.434 9.425 ( -0.896 -0.851 0.286) 1.269 9.826 ( -2.260 -26.027 -5.943) 26.792 10.763 ( -0.239 3.602 6.331) 7.288 10.904 ( -1.462 -6.494 6.107) 9.034 11.262 ( 0.237 -2.583 -0.880) 2.739 11.311 ( -4.562 -3.887 -2.387) 6.451 11.731 ( 3.163 7.835 5.996) 10.361 11.926 ( 5.745 -10.125 8.422) 14.368 12.422 ( -1.982 10.202 -7.352) 12.730 12.639 ( 0.553 -8.168 -7.143) 10.865 14.056 ( -0.034 3.571 2.495) 4.356 14.174 ( 0.150 -5.814 1.904) 6.120 14.466 ( 1.611 -0.351 -1.884) 2.503 14.530 ( 0.385 -4.892 -1.471) 5.123 14.791 ( 1.256 3.016 -0.277) 3.279 14.832 ( -3.096 1.247 -0.373) 3.358 15.072 ( -1.533 -2.394 -1.710) 3.317 15.114 ( 0.287 -5.342 -1.692) 5.610 15.328 ( -1.607 -0.882 3.456) 3.912 15.362 ( -0.160 -4.268 3.894) 5.779 15.679 ( -0.093 2.742 -2.547) 3.743 15.763 ( 0.709 -4.199 -3.992) 5.837 24.645 ( -0.084 1.576 -0.868) 1.801 24.670 ( -0.548 -0.696 -1.148) 1.450 24.882 ( 0.245 2.471 -2.385) 3.443 24.921 ( 1.156 -1.133 -2.576) 3.042 25.123 ( -3.547 2.175 6.379) 7.615 25.183 ( -5.006 -3.609 6.957) 9.300 25.765 ( 0.499 2.325 -0.644) 2.464 25.802 ( 2.548 -1.231 -1.086) 3.031 26.495 ( 4.638 1.410 4.395) 6.543 26.533 ( 8.508 -2.297 7.052) 11.287 26.927 ( -3.709 7.277 -3.703) 8.968 27.135 ( -4.896 -12.023 -4.668) 13.796 28.969 ( -0.397 3.868 2.277) 4.506 29.025 ( -1.170 -1.539 1.782) 2.629 30.166 ( 0.643 17.624 -2.451) 17.805 30.461 ( 1.752 -9.690 -9.156) 13.446 ======================= Grid point 108 (56/104) ======================= q-point: ( 0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 8.300 25.319 9.008) 28.127 2.789 ( 12.721 20.329 13.528) 27.533 3.145 ( 4.795 -4.844 4.582) 8.213 3.285 ( 12.409 1.307 -0.713) 12.498 3.336 ( 5.764 -8.177 11.315) 15.103 3.497 ( 3.949 -9.205 17.833) 20.453 3.746 ( 2.629 -2.045 -6.195) 7.034 3.920 ( -3.513 -15.770 -8.116) 18.081 4.133 ( -7.556 8.119 -4.583) 12.001 4.292 ( -3.241 -5.306 -3.509) 7.140 4.433 ( 5.503 14.542 -1.198) 15.594 4.634 ( 6.910 -3.004 3.145) 8.164 4.840 ( 3.290 4.003 2.843) 5.910 4.868 ( 1.536 -1.091 9.208) 9.399 5.039 ( -5.089 2.832 -10.361) 11.886 5.117 ( 0.519 1.713 2.401) 2.995 5.201 ( -2.718 10.674 6.028) 12.556 5.373 ( 0.496 1.730 10.268) 10.425 5.411 ( -1.147 15.318 -3.454) 15.744 5.627 ( 2.905 -1.739 0.696) 3.456 5.814 ( 0.895 -1.124 -3.653) 3.926 5.914 ( 1.676 -8.766 -5.483) 10.474 6.089 ( 0.394 3.287 -5.116) 6.094 6.199 ( 5.680 -2.643 -10.690) 12.391 6.306 ( 3.054 6.700 -12.416) 14.435 6.382 ( -2.612 0.839 -11.211) 11.542 6.793 ( -6.724 -0.883 1.381) 6.921 6.861 ( -7.246 -5.533 5.697) 10.751 6.985 ( -9.707 4.911 7.000) 12.937 7.071 ( -3.859 -2.860 5.405) 7.231 7.259 ( -7.578 6.689 1.473) 10.215 7.380 ( -13.347 0.137 5.313) 14.367 7.476 ( -6.532 9.302 -2.847) 11.717 7.568 ( -0.920 -3.499 -3.645) 5.136 7.643 ( 2.306 7.702 -5.855) 9.946 7.794 ( 3.613 -4.541 -6.085) 8.408 7.838 ( 0.158 10.523 -3.234) 11.009 7.987 ( 3.049 4.034 0.926) 5.141 8.163 ( 3.640 -6.367 0.008) 7.334 8.263 ( 1.971 -13.587 -3.337) 14.129 8.346 ( 7.713 18.553 2.669) 20.269 8.488 ( 1.407 9.637 -0.888) 9.780 8.751 ( 4.022 -2.720 -4.756) 6.797 8.808 ( 7.855 -7.537 3.333) 11.385 9.088 ( 3.763 12.307 5.680) 14.067 9.149 ( -1.961 17.596 -2.056) 17.824 9.448 ( -1.406 -13.721 6.501) 15.248 9.769 ( 0.726 -27.537 -6.945) 28.409 10.788 ( -4.432 3.232 7.765) 9.507 10.876 ( -5.187 -2.670 4.500) 7.368 11.211 ( -2.177 0.553 -1.254) 2.573 11.286 ( 1.003 -7.326 1.383) 7.523 11.861 ( 1.345 10.798 7.910) 13.453 12.049 ( -3.950 -3.253 0.735) 5.170 12.364 ( 6.969 0.960 -4.769) 8.499 12.529 ( -2.152 -10.168 -8.540) 13.452 14.077 ( -0.980 4.857 3.653) 6.156 14.194 ( 0.349 -5.373 1.106) 5.497 14.488 ( 1.009 0.576 -2.444) 2.706 14.509 ( 1.362 -1.602 -2.763) 3.472 14.739 ( -3.942 3.265 -0.349) 5.130 14.844 ( 1.645 -3.882 0.866) 4.305 15.059 ( 2.056 -1.233 -1.661) 2.916 15.141 ( 3.515 -7.374 -0.239) 8.172 15.326 ( -2.212 1.048 3.590) 4.345 15.400 ( -0.126 -6.096 4.217) 7.413 15.651 ( 0.275 3.380 -2.862) 4.437 15.738 ( 0.997 -4.273 -3.678) 5.726 24.624 ( -1.440 0.979 -0.710) 1.880 24.636 ( -1.716 -0.107 -0.929) 1.954 24.853 ( -1.310 2.844 -1.615) 3.524 24.903 ( -0.733 -1.725 -2.103) 2.817 25.109 ( -3.545 1.523 5.445) 6.674 25.151 ( -4.070 -2.533 5.723) 7.466 25.801 ( 3.630 4.260 -0.582) 5.628 25.878 ( 5.245 -3.067 1.009) 6.159 26.648 ( 4.903 4.671 3.366) 7.562 26.740 ( 1.693 -2.345 -1.127) 3.104 26.945 ( 12.515 -0.428 4.425) 13.281 27.060 ( 4.941 -9.335 -6.576) 12.442 28.968 ( -2.204 2.958 2.905) 4.695 29.003 ( -2.647 -0.519 1.354) 3.018 30.096 ( -5.817 15.377 -2.125) 16.577 30.327 ( -6.488 -5.988 -8.793) 12.461 ======================= Grid point 109 (57/104) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 8.617 20.109 7.525) 23.135 3.208 ( 14.354 9.014 6.192) 18.046 3.226 ( 7.113 15.443 2.472) 17.181 3.420 ( -2.589 -12.430 4.471) 13.461 3.467 ( 4.119 1.605 -0.440) 4.443 3.688 ( 0.337 -9.480 -3.908) 10.260 3.760 ( 9.808 -0.519 2.915) 10.245 3.909 ( 3.576 -8.303 -1.963) 9.252 3.954 ( -7.940 2.825 -0.061) 8.427 4.170 ( -5.428 -13.439 4.563) 15.195 4.464 ( -1.516 10.384 -2.670) 10.829 4.680 ( -4.543 -8.339 1.309) 9.586 4.782 ( -6.691 9.986 -4.610) 12.874 4.954 ( -4.170 -3.120 2.158) 5.637 5.030 ( 9.301 8.270 -2.107) 12.623 5.127 ( 7.036 0.983 2.382) 7.494 5.330 ( -0.897 8.364 1.872) 8.618 5.354 ( 1.810 11.686 7.558) 14.034 5.562 ( 5.668 0.563 10.844) 12.248 5.693 ( 5.750 -4.116 -4.983) 8.651 5.850 ( 3.727 1.329 2.352) 4.603 5.936 ( 4.316 -3.853 0.715) 5.830 6.105 ( 3.778 4.493 -0.030) 5.870 6.219 ( 7.257 0.249 -11.362) 13.484 6.251 ( 1.313 1.829 -6.650) 7.020 6.292 ( 2.562 2.844 -5.948) 7.073 6.557 ( -15.789 7.243 -1.869) 17.472 6.676 ( -11.367 -3.550 -1.449) 11.996 6.956 ( -0.027 4.809 4.946) 6.898 7.004 ( -8.377 5.937 -2.708) 10.619 7.213 ( -2.542 2.859 3.629) 5.273 7.271 ( 0.146 -3.678 6.503) 7.472 7.437 ( 3.788 9.323 -1.346) 10.153 7.512 ( -4.420 5.819 -6.699) 9.913 7.629 ( 5.503 -4.557 -2.792) 7.670 7.765 ( 1.781 -9.839 -7.303) 12.382 7.849 ( 1.561 -0.578 3.635) 3.999 8.016 ( -4.410 -11.129 -0.002) 11.971 8.087 ( -0.255 14.880 2.020) 15.019 8.356 ( 4.363 -5.450 0.161) 6.983 8.472 ( 3.667 15.618 1.371) 16.102 8.562 ( 7.740 6.714 -2.401) 10.524 8.795 ( 2.806 -3.488 -3.856) 5.908 8.875 ( -2.278 -2.875 -2.725) 4.569 9.104 ( -0.036 13.883 0.081) 13.883 9.199 ( 1.016 5.202 3.685) 6.456 9.493 ( -0.886 -13.482 6.543) 15.012 9.653 ( -6.516 -23.386 -6.444) 25.118 10.746 ( -6.040 6.650 5.810) 10.699 10.863 ( -1.676 -2.899 4.897) 5.932 11.192 ( -0.621 3.902 0.507) 3.984 11.295 ( -2.875 -5.304 1.383) 6.189 11.839 ( -10.282 5.319 -3.564) 12.113 11.855 ( -7.296 5.213 -0.009) 8.967 12.462 ( 6.738 -1.680 -5.755) 9.019 12.579 ( 11.557 -10.785 -0.841) 15.830 14.086 ( -1.467 5.521 3.501) 6.700 14.207 ( 0.448 -5.149 0.238) 5.174 14.442 ( 0.019 4.828 -4.816) 6.819 14.555 ( 3.634 -4.421 -1.151) 5.837 14.689 ( -1.883 1.326 0.892) 2.470 14.852 ( -0.559 -11.155 -0.443) 11.177 15.113 ( 2.669 1.008 1.706) 3.324 15.198 ( -0.643 -7.009 3.009) 7.654 15.335 ( 1.438 2.351 2.408) 3.660 15.425 ( -0.985 -6.432 3.086) 7.202 15.654 ( 2.948 3.362 -2.537) 5.141 15.742 ( 2.819 -4.460 -2.899) 6.020 24.586 ( -1.667 1.119 -0.363) 2.040 24.604 ( -1.435 -0.440 0.122) 1.506 24.810 ( -2.056 2.666 -0.880) 3.480 24.860 ( -2.045 -1.923 -1.335) 3.109 25.099 ( -2.872 2.030 5.062) 6.164 25.153 ( -1.101 -3.131 4.441) 5.544 25.852 ( 1.912 5.510 -1.028) 5.922 25.967 ( 1.922 -5.424 1.314) 5.902 26.681 ( 3.336 3.587 -6.682) 8.285 26.741 ( 5.117 -1.008 -4.831) 7.109 27.185 ( 11.563 0.780 -0.477) 11.599 27.307 ( 15.091 -9.701 7.444) 19.423 28.954 ( -2.093 2.163 3.240) 4.422 28.967 ( -2.187 0.711 1.208) 2.597 29.927 ( -10.282 12.935 -1.914) 16.634 30.097 ( -10.265 -2.978 -6.342) 12.428 ======================= Grid point 110 (58/104) ======================= q-point: ( 0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -4.641 9.701 -3.390) 11.276 3.155 ( -10.737 4.168 -1.124) 11.573 3.346 ( 6.348 5.099 -3.737) 8.959 3.535 ( 4.374 2.107 -4.919) 6.912 3.595 ( -8.434 -1.740 6.477) 10.775 3.729 ( 19.341 8.965 12.170) 24.547 3.786 ( -7.298 -4.112 0.192) 8.379 3.931 ( 1.861 0.881 -1.038) 2.306 4.063 ( 11.615 -5.943 6.430) 14.546 4.196 ( 0.144 -7.659 5.071) 9.187 4.377 ( -2.015 3.735 -4.006) 5.836 4.548 ( -4.090 -9.669 -4.979) 11.620 4.720 ( -3.121 10.444 5.179) 12.068 4.842 ( -7.105 1.021 -0.695) 7.211 5.121 ( 1.380 5.899 2.901) 6.717 5.209 ( -5.074 -2.927 1.635) 6.081 5.285 ( 2.364 13.057 -2.545) 13.511 5.530 ( 0.592 -6.465 -3.382) 7.320 5.581 ( -1.662 7.768 5.201) 9.495 5.800 ( 0.095 -8.849 9.833) 13.229 5.949 ( -1.532 7.595 8.100) 11.209 6.054 ( 1.597 -0.532 -1.364) 2.166 6.110 ( -8.195 5.424 -0.025) 9.828 6.188 ( 9.094 3.161 2.330) 9.905 6.212 ( 4.108 6.948 -2.592) 8.478 6.352 ( 0.617 7.500 -11.546) 13.782 6.435 ( 8.353 -4.673 -4.599) 10.619 6.531 ( -2.429 -7.019 -10.626) 12.964 6.913 ( 7.307 12.228 1.718) 14.348 7.018 ( 7.084 1.284 -1.071) 7.279 7.242 ( 1.560 2.695 1.452) 3.436 7.325 ( 0.879 -1.143 -3.763) 4.030 7.422 ( 3.469 16.126 1.672) 16.580 7.584 ( 10.251 3.132 -2.851) 11.091 7.737 ( 6.964 -8.674 -2.143) 11.328 7.763 ( 3.305 -12.144 -1.574) 12.684 7.907 ( -1.919 1.734 2.926) 3.905 7.998 ( 2.442 -7.723 7.067) 10.749 8.164 ( 4.882 10.413 4.761) 12.448 8.413 ( 2.090 -3.346 1.004) 4.071 8.518 ( 2.461 8.895 -2.689) 9.612 8.670 ( 2.966 9.316 -1.136) 9.843 8.729 ( -7.128 4.708 -0.998) 8.601 8.777 ( -1.284 -7.096 -7.313) 10.270 9.011 ( -8.072 1.787 0.957) 8.322 9.234 ( -2.372 -0.469 0.382) 2.448 9.397 ( -11.329 -11.217 1.527) 16.015 9.553 ( -1.658 -13.626 -0.874) 13.754 10.683 ( -5.233 9.246 2.138) 10.837 10.862 ( -3.737 -5.928 3.720) 7.934 11.141 ( -6.758 4.101 1.542) 8.054 11.175 ( -10.053 1.061 0.460) 10.120 11.661 ( -1.705 8.664 -3.285) 9.421 11.793 ( -0.939 -1.980 2.038) 2.992 12.557 ( 7.832 4.588 -4.638) 10.193 12.769 ( 10.725 -11.023 -3.764) 15.833 14.095 ( -0.839 5.707 3.105) 6.551 14.216 ( 0.461 -5.055 -0.048) 5.076 14.418 ( 1.482 4.178 -3.296) 5.524 14.596 ( 2.645 -8.511 -2.960) 9.392 14.687 ( 0.110 1.528 2.396) 2.844 14.839 ( -0.263 -11.846 -0.189) 11.850 15.151 ( -2.758 -1.427 4.258) 5.270 15.156 ( -4.949 -2.648 2.954) 6.343 15.403 ( 1.162 -1.046 1.279) 2.019 15.439 ( 2.054 -3.570 1.527) 4.393 15.701 ( 4.237 2.398 -2.477) 5.462 15.783 ( 4.110 -4.798 -2.326) 6.732 24.566 ( -0.635 1.143 0.542) 1.415 24.587 ( -0.902 -0.733 0.792) 1.406 24.765 ( -1.999 2.335 -0.506) 3.115 24.809 ( -2.302 -1.643 -0.872) 2.959 25.098 ( -2.296 3.242 4.710) 6.162 25.181 ( -0.195 -4.587 3.665) 5.874 25.841 ( -0.572 5.017 -3.236) 5.997 25.953 ( -2.378 -5.515 -2.051) 6.346 26.726 ( 6.713 5.360 -3.568) 9.302 26.852 ( 10.362 -5.492 -2.760) 12.048 27.366 ( 7.289 7.943 0.233) 10.783 27.598 ( 10.238 -12.839 4.157) 16.939 28.957 ( 0.694 2.486 0.951) 2.751 28.968 ( 0.043 1.637 3.673) 4.022 29.705 ( -11.501 11.646 -2.033) 16.493 29.857 ( -10.417 -2.810 -4.100) 11.542 ======================= Grid point 111 (59/104) ======================= q-point: ( 0.40 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -6.282 7.449 1.205) 9.819 2.992 ( -4.595 -1.609 1.363) 5.056 3.413 ( 0.032 4.328 0.701) 4.384 3.458 ( -6.912 8.891 4.633) 12.177 3.588 ( 3.570 -3.179 -3.067) 5.680 3.698 ( -2.857 0.741 1.052) 3.134 3.922 ( 0.903 0.659 -6.132) 6.233 4.058 ( -0.354 -3.582 -0.778) 3.683 4.199 ( 9.408 6.305 7.021) 13.325 4.309 ( 1.925 9.878 -1.887) 10.239 4.389 ( 4.777 -10.610 1.476) 11.729 4.543 ( 7.308 -9.701 2.849) 12.476 4.696 ( -5.955 6.554 -3.787) 9.631 4.725 ( -2.893 4.436 3.304) 6.242 5.061 ( -11.816 0.826 4.256) 12.586 5.110 ( -6.987 -3.590 7.426) 10.810 5.281 ( -2.963 10.309 0.575) 10.742 5.411 ( 1.274 -1.987 -6.579) 6.989 5.606 ( -4.500 9.231 4.331) 11.146 5.794 ( -5.214 -1.758 4.073) 6.846 5.887 ( -5.445 5.281 0.666) 7.615 5.985 ( -5.372 -5.337 2.971) 8.134 6.174 ( -0.975 5.950 -4.282) 7.396 6.226 ( 1.199 2.716 -4.093) 5.056 6.312 ( 3.398 6.205 5.680) 9.072 6.379 ( 10.014 -1.454 -1.881) 10.292 6.470 ( 8.777 2.517 7.033) 11.526 6.616 ( 13.314 -6.952 -7.552) 16.811 7.057 ( 1.095 8.984 -4.318) 10.028 7.149 ( 7.424 0.421 -4.156) 8.519 7.337 ( 4.610 7.505 -3.546) 9.495 7.347 ( 8.317 5.458 0.386) 9.956 7.547 ( 10.066 6.596 -4.055) 12.699 7.678 ( 5.723 -5.904 -7.858) 11.374 7.794 ( 2.491 -1.539 1.279) 3.195 7.876 ( 0.398 3.252 -1.521) 3.612 7.918 ( 6.309 -1.638 2.809) 7.098 8.120 ( 1.802 -8.746 5.713) 10.600 8.294 ( 1.851 6.451 1.733) 6.931 8.417 ( -8.589 -1.342 -2.110) 8.945 8.476 ( -5.743 7.295 -0.377) 9.292 8.562 ( 5.312 6.079 -0.459) 8.086 8.668 ( -3.337 -3.220 -1.716) 4.945 8.795 ( 5.887 -7.985 -3.250) 10.439 8.878 ( -5.639 1.652 0.100) 5.877 9.099 ( -9.387 -12.615 3.050) 16.017 9.293 ( -3.236 5.648 1.464) 6.672 9.462 ( -7.230 -8.651 0.635) 11.292 10.605 ( -4.060 7.591 1.196) 8.692 10.775 ( -7.134 -7.064 0.923) 10.082 11.024 ( -5.059 3.810 1.836) 6.594 11.044 ( -5.969 2.535 3.361) 7.304 11.683 ( 2.657 10.057 1.632) 10.529 11.826 ( 1.442 -1.060 2.101) 2.760 12.637 ( 5.710 7.066 -5.449) 10.594 12.883 ( 7.071 -10.869 -7.230) 14.846 14.113 ( -0.770 5.643 3.538) 6.705 14.225 ( 0.494 -5.380 0.284) 5.410 14.431 ( 2.358 1.888 -1.748) 3.490 14.605 ( 2.005 -9.666 -3.256) 10.395 14.721 ( 0.541 0.469 2.150) 2.266 14.842 ( 0.298 -8.632 0.844) 8.678 15.059 ( -5.944 -1.776 1.187) 6.316 15.132 ( -4.491 -5.718 4.075) 8.335 15.409 ( 0.039 2.167 0.220) 2.179 15.493 ( 1.562 -4.927 -0.231) 5.174 15.751 ( 3.307 2.371 -1.681) 4.403 15.833 ( 3.281 -4.973 -2.323) 6.395 24.570 ( -0.056 0.766 1.411) 1.607 24.584 ( -0.404 -0.528 1.151) 1.329 24.732 ( -1.158 1.993 -0.214) 2.315 24.766 ( -1.409 -1.073 -0.765) 1.929 25.099 ( -2.325 4.168 4.365) 6.468 25.206 ( -0.698 -5.869 3.152) 6.698 25.794 ( -0.041 3.760 -4.625) 5.961 25.882 ( -1.369 -4.461 -4.217) 6.290 26.835 ( 5.809 7.551 1.088) 9.589 27.029 ( 8.462 -10.258 1.696) 13.406 27.444 ( 1.965 12.925 -1.098) 13.120 27.743 ( 3.568 -14.649 -0.189) 15.078 29.006 ( 2.974 3.757 1.408) 4.994 29.021 ( 1.417 2.666 3.436) 4.574 29.496 ( -8.449 10.863 -1.912) 13.894 29.657 ( -6.979 -4.348 -3.555) 8.959 ======================= Grid point 112 (60/104) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -0.202 8.247 6.514) 10.511 3.013 ( 1.803 -4.522 6.661) 8.251 3.377 ( -6.111 13.004 9.751) 17.365 3.469 ( 4.033 2.559 -0.547) 4.807 3.581 ( 0.317 -1.172 -5.964) 6.086 3.698 ( 0.522 -1.031 0.136) 1.163 3.851 ( -1.954 1.128 -5.401) 5.854 4.011 ( 3.623 -2.522 -13.537) 14.238 4.178 ( -5.711 1.772 1.572) 6.183 4.313 ( -10.484 -7.165 0.521) 12.709 4.525 ( 0.321 7.177 4.677) 8.572 4.573 ( 2.904 6.762 -2.581) 7.798 4.650 ( -2.186 -1.504 -1.700) 3.151 4.738 ( 6.959 -7.099 2.599) 10.275 4.986 ( -0.070 6.104 0.869) 6.166 5.087 ( -2.168 -2.121 6.652) 7.311 5.246 ( -1.780 15.192 8.351) 17.427 5.436 ( 2.426 -0.002 0.477) 2.473 5.585 ( -1.011 0.884 1.254) 1.837 5.737 ( -4.387 -4.159 3.081) 6.785 5.835 ( 0.447 2.047 -0.891) 2.277 5.842 ( -5.720 -3.574 -4.063) 7.874 6.148 ( -0.961 5.359 1.827) 5.743 6.225 ( -0.456 -1.646 5.560) 5.817 6.511 ( 8.192 10.953 -2.369) 13.881 6.582 ( 5.321 3.629 9.350) 11.354 6.646 ( 1.671 2.325 13.836) 14.129 6.720 ( 4.272 -5.132 -7.356) 9.934 7.006 ( 3.238 12.347 -7.999) 15.064 7.208 ( 3.987 -3.902 -5.484) 7.823 7.357 ( 3.567 12.218 -3.296) 13.147 7.474 ( 4.334 7.669 -1.743) 8.980 7.624 ( -3.161 -10.376 -4.455) 11.726 7.640 ( 2.917 -4.115 -5.387) 7.380 7.738 ( -7.573 4.045 -4.426) 9.660 7.854 ( -12.294 2.361 -7.763) 14.730 7.954 ( 2.420 -0.832 -2.947) 3.903 8.086 ( -4.012 -7.977 -6.322) 10.941 8.205 ( -5.327 7.816 4.504) 10.476 8.337 ( 3.756 8.400 0.552) 9.218 8.485 ( -7.173 -13.414 0.957) 15.242 8.544 ( 5.533 -4.666 -1.015) 7.308 8.709 ( 2.679 11.944 2.138) 12.426 8.821 ( -0.187 0.398 0.641) 0.778 8.878 ( 5.411 -7.084 -2.420) 9.237 9.011 ( -3.570 -10.615 -0.088) 11.200 9.303 ( 0.796 5.804 6.229) 8.551 9.413 ( 2.027 -4.238 3.913) 6.114 10.585 ( -0.089 5.487 2.818) 6.169 10.703 ( -0.504 -4.298 0.737) 4.390 10.996 ( -1.650 2.304 3.030) 4.149 11.008 ( -0.246 1.766 2.577) 3.134 11.741 ( 0.639 9.987 3.908) 10.744 11.860 ( -0.508 1.323 2.625) 2.983 12.659 ( 2.437 5.817 -5.932) 8.658 12.884 ( 1.804 -10.212 -10.110) 14.483 14.119 ( -2.571 4.308 3.779) 6.281 14.241 ( 0.255 -7.210 1.251) 7.322 14.468 ( 3.146 2.730 -0.937) 4.269 14.615 ( 1.672 -7.467 -2.563) 8.069 14.727 ( -1.808 0.225 1.429) 2.316 14.865 ( 0.833 -3.683 1.495) 4.062 14.988 ( -1.637 -6.606 0.258) 6.811 15.080 ( -3.697 -8.062 1.780) 9.047 15.417 ( 0.287 2.383 0.621) 2.479 15.484 ( -1.233 -3.712 -1.682) 4.258 15.784 ( 1.327 1.565 -0.858) 2.224 15.848 ( 0.765 -4.184 -2.644) 5.009 24.579 ( -0.647 0.781 1.736) 2.011 24.594 ( 0.105 -0.671 1.482) 1.630 24.722 ( 0.205 1.970 -0.052) 1.981 24.752 ( 0.723 -0.765 -0.685) 1.255 25.092 ( -2.708 4.526 4.124) 6.695 25.211 ( -1.869 -6.540 2.862) 7.379 25.766 ( 1.777 2.889 -4.856) 5.924 25.839 ( 1.275 -3.945 -4.904) 6.421 26.942 ( 2.540 8.767 5.016) 10.415 27.148 ( 0.580 -9.395 3.593) 10.075 27.445 ( 0.607 10.987 -1.221) 11.072 27.727 ( -2.896 -14.153 -4.366) 15.091 29.035 ( -3.551 5.018 2.581) 6.667 29.055 ( -0.945 2.963 1.787) 3.587 29.414 ( 2.273 9.954 -1.137) 10.274 29.576 ( 2.847 -5.207 -3.726) 7.008 ======================= Grid point 113 (61/104) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -0.869 11.652 2.342) 11.916 3.121 ( 1.372 -4.133 6.940) 8.193 3.331 ( -5.811 17.358 -0.799) 18.322 3.543 ( 2.151 1.772 -5.882) 6.509 3.564 ( 3.830 -0.313 -0.657) 3.898 3.679 ( -3.924 -10.577 4.454) 12.129 3.807 ( 3.585 4.475 -3.828) 6.894 3.927 ( 0.481 -7.369 -7.491) 10.519 4.060 ( -9.087 3.497 4.626) 10.780 4.175 ( -1.305 -5.882 2.694) 6.599 4.538 ( 1.265 5.428 4.339) 7.064 4.593 ( -2.129 2.726 2.548) 4.296 4.700 ( 3.554 3.407 -0.765) 4.983 4.829 ( 2.835 -4.946 -0.141) 5.703 5.003 ( 5.353 11.307 -3.953) 13.120 5.165 ( 3.505 -3.864 -1.945) 5.568 5.338 ( 2.121 11.658 6.682) 13.604 5.448 ( -5.609 6.101 7.798) 11.380 5.547 ( -1.301 -5.848 -5.878) 8.393 5.702 ( -5.586 -12.674 6.217) 15.182 5.779 ( 2.410 6.774 -0.443) 7.204 5.888 ( 3.905 -2.921 3.006) 5.729 6.168 ( -1.193 7.196 6.545) 9.800 6.247 ( -0.958 1.520 3.039) 3.530 6.480 ( -6.153 8.455 -1.821) 10.614 6.630 ( -5.275 -1.842 -4.508) 7.179 6.757 ( 5.098 5.144 5.383) 9.024 6.808 ( 4.175 1.093 1.841) 4.692 7.038 ( -1.148 11.061 -2.149) 11.326 7.170 ( -2.642 1.077 0.074) 2.855 7.322 ( -9.014 10.005 -6.826) 15.098 7.382 ( -12.401 7.309 -3.917) 14.918 7.428 ( -4.302 7.593 -3.593) 9.438 7.567 ( 2.491 -6.289 -3.257) 7.507 7.643 ( -5.093 -8.884 -6.386) 12.068 7.680 ( 5.543 -7.516 -3.243) 9.885 7.855 ( -6.585 -4.190 -3.707) 8.641 7.938 ( -5.643 -7.767 -2.355) 9.885 8.165 ( -2.907 7.563 5.586) 9.842 8.389 ( 0.036 -8.947 -1.314) 9.043 8.512 ( 8.729 10.272 0.980) 13.516 8.620 ( -0.795 4.726 -2.577) 5.442 8.695 ( -1.146 8.659 0.661) 8.760 8.805 ( 1.107 -1.062 -4.824) 5.062 8.974 ( 3.287 -7.663 1.940) 8.561 9.077 ( 11.299 -13.989 1.720) 18.064 9.380 ( 0.270 7.050 4.793) 8.530 9.528 ( 4.590 -6.082 1.804) 7.830 10.623 ( 0.417 6.283 2.137) 6.650 10.750 ( 3.419 -4.759 0.362) 5.871 11.032 ( 4.158 5.295 1.766) 6.960 11.086 ( 4.932 -0.264 3.846) 6.260 11.792 ( 1.091 7.881 5.387) 9.609 11.849 ( -3.327 3.938 2.429) 5.699 12.619 ( -0.720 1.506 -5.426) 5.677 12.767 ( -3.343 -8.683 -11.546) 14.828 14.089 ( -3.732 2.748 2.636) 5.332 14.243 ( -1.646 -10.891 1.662) 11.140 14.533 ( 4.570 3.488 -1.652) 5.982 14.599 ( -0.716 -2.515 -2.444) 3.579 14.693 ( -3.276 3.542 3.000) 5.681 14.887 ( 0.560 -1.326 0.044) 1.440 15.024 ( 3.321 -13.975 2.764) 14.628 15.049 ( -0.139 -6.936 0.106) 6.938 15.419 ( -1.900 0.407 -0.005) 1.943 15.439 ( -1.130 -1.356 0.149) 1.771 15.774 ( -1.618 0.897 -1.219) 2.216 15.817 ( -1.038 -2.876 -2.777) 4.130 24.585 ( -0.269 1.220 1.553) 1.993 24.609 ( -0.124 -1.006 1.697) 1.977 24.741 ( 2.004 2.257 -0.146) 3.022 24.777 ( 2.453 -0.998 -0.513) 2.698 25.078 ( -2.982 4.301 4.196) 6.708 25.193 ( -2.910 -6.475 3.034) 7.720 25.765 ( 2.804 2.406 -4.781) 6.042 25.831 ( 2.725 -3.773 -5.481) 7.191 27.012 ( -1.374 7.678 7.302) 10.684 27.092 ( -7.705 2.647 -0.197) 8.149 27.464 ( -0.185 -3.427 3.012) 4.566 27.564 ( -8.727 -10.313 -7.369) 15.389 28.958 ( -5.169 5.510 1.024) 7.624 29.012 ( -4.504 0.429 2.243) 5.050 29.538 ( 10.725 10.434 -0.854) 14.987 29.691 ( 12.087 -3.947 -2.715) 13.002 ======================= Grid point 114 (62/104) ======================= q-point: (-0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -11.951 20.013 -3.740) 23.608 3.085 ( -8.450 1.694 0.193) 8.620 3.289 ( 1.029 10.354 2.293) 10.655 3.345 ( -11.886 0.003 -11.519) 16.552 3.542 ( -2.232 -4.991 -6.392) 8.411 3.656 ( -1.871 -11.866 2.439) 12.257 3.948 ( 2.268 1.154 8.468) 8.842 4.025 ( 6.831 -4.730 8.348) 11.778 4.104 ( 7.859 7.482 9.383) 14.345 4.231 ( 2.746 -4.546 5.058) 7.334 4.535 ( -2.505 4.678 -4.517) 6.969 4.612 ( 0.257 4.982 5.061) 7.107 4.692 ( -1.451 -0.665 -8.805) 8.949 4.838 ( -1.630 -5.361 -2.459) 6.119 5.035 ( -1.964 10.474 -2.788) 11.015 5.168 ( 0.604 -0.895 -1.983) 2.258 5.350 ( -3.486 6.101 6.886) 9.838 5.434 ( 2.434 1.334 -6.694) 7.246 5.500 ( -2.830 4.015 8.596) 9.900 5.634 ( -6.505 -4.661 4.722) 9.292 5.841 ( -1.034 8.720 0.372) 8.789 5.990 ( 0.623 -5.551 4.482) 7.162 6.164 ( -0.867 6.566 -1.628) 6.820 6.291 ( 2.125 14.316 4.877) 15.272 6.377 ( -8.155 -6.039 -0.905) 10.188 6.511 ( 6.932 -5.242 1.046) 8.754 6.779 ( -2.607 8.846 -4.267) 10.162 6.892 ( -4.389 3.630 -0.648) 5.732 6.924 ( 4.194 1.815 -0.223) 4.575 6.967 ( -10.324 -4.246 -0.883) 11.198 7.175 ( -8.264 0.075 -2.719) 8.700 7.226 ( -2.832 9.267 0.642) 9.712 7.393 ( -5.207 -6.658 -6.167) 10.463 7.525 ( 3.907 9.718 -2.503) 10.769 7.614 ( 4.034 -10.320 -5.465) 12.355 7.717 ( 1.725 -6.118 -4.559) 7.822 7.801 ( 5.801 6.359 5.087) 9.999 7.943 ( 2.942 -4.802 5.828) 8.104 8.197 ( -0.523 10.029 5.574) 11.486 8.400 ( -1.825 0.957 -0.208) 2.071 8.476 ( -3.484 0.908 -2.489) 4.377 8.571 ( -4.866 0.172 -4.493) 6.626 8.729 ( 3.432 6.583 -1.931) 7.671 8.839 ( 6.310 3.412 -4.315) 8.371 9.043 ( 2.358 -0.303 1.775) 2.967 9.278 ( 3.275 -10.980 1.904) 11.615 9.371 ( -3.260 6.756 1.546) 7.659 9.631 ( 8.987 -17.741 0.890) 19.907 10.621 ( -1.699 7.702 0.572) 7.907 10.783 ( -0.283 -6.512 0.746) 6.560 11.164 ( 6.159 5.561 1.488) 8.430 11.216 ( 4.946 0.299 3.292) 5.949 11.788 ( -3.955 9.805 -0.330) 10.578 11.912 ( 6.370 0.332 4.994) 8.101 12.551 ( -1.623 -3.208 -4.114) 5.464 12.574 ( -5.402 -5.070 -9.777) 12.267 14.046 ( -2.711 2.283 1.567) 3.875 14.217 ( -2.436 -12.645 1.253) 12.939 14.535 ( -0.463 -0.536 -4.174) 4.234 14.572 ( 0.028 -3.983 -3.485) 5.293 14.717 ( 0.765 10.376 6.945) 12.509 14.882 ( -0.629 -1.937 -0.895) 2.224 15.064 ( 2.086 -5.287 -0.060) 5.684 15.134 ( 3.208 -12.633 4.955) 13.944 15.361 ( -3.430 2.501 0.270) 4.254 15.436 ( -1.404 -4.446 1.700) 4.963 15.712 ( -2.598 2.651 -1.971) 4.203 15.775 ( -0.717 -2.824 -2.445) 3.804 24.601 ( 0.678 1.419 1.069) 1.902 24.625 ( 0.351 -0.729 1.442) 1.653 24.787 ( 3.160 2.231 -0.338) 3.883 24.825 ( 3.311 -1.173 -0.716) 3.585 25.066 ( -2.784 3.671 4.952) 6.764 25.168 ( -3.214 -5.921 4.095) 7.884 25.772 ( 2.353 2.003 -4.185) 5.202 25.826 ( 2.272 -3.213 -5.675) 6.906 26.897 ( -10.923 7.252 -3.726) 13.630 27.005 ( -6.665 0.288 4.163) 7.863 27.300 ( -11.692 0.090 -5.783) 13.044 27.463 ( -4.826 -11.662 5.736) 13.864 28.898 ( -2.023 5.332 0.870) 5.768 28.970 ( -1.983 -1.472 2.265) 3.352 29.748 ( 12.792 12.586 -1.214) 17.987 29.931 ( 16.071 -4.173 -2.344) 16.769 ======================= Grid point 115 (63/104) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -12.787 25.592 0.710) 28.617 2.915 ( -11.939 18.315 2.368) 21.991 3.046 ( -10.204 -8.957 -3.221) 13.954 3.292 ( -4.668 5.719 1.339) 7.502 3.404 ( -7.086 -11.498 -3.225) 13.886 3.569 ( -13.041 -16.790 3.797) 21.596 4.011 ( -2.851 6.914 5.772) 9.447 4.148 ( -1.166 -6.446 7.732) 10.133 4.243 ( 2.288 9.474 -4.889) 10.904 4.400 ( 4.897 -1.076 3.751) 6.261 4.463 ( -1.881 4.681 -5.247) 7.279 4.521 ( -2.562 -2.880 -9.454) 10.209 4.664 ( 3.825 4.150 4.366) 7.135 4.778 ( -1.853 -4.327 0.021) 4.707 4.870 ( -10.788 15.855 3.576) 19.508 5.170 ( -2.538 -5.243 5.019) 7.689 5.387 ( -1.325 4.329 2.657) 5.249 5.468 ( 2.736 -1.390 1.767) 3.541 5.507 ( -1.608 6.194 -2.015) 6.709 5.601 ( 2.005 3.597 0.069) 4.118 5.785 ( -0.775 8.644 1.112) 8.750 5.890 ( -7.056 0.644 -1.469) 7.236 6.185 ( 0.262 2.785 -0.715) 2.887 6.296 ( -1.109 -7.182 -2.470) 7.676 6.442 ( 9.671 14.569 0.604) 17.497 6.740 ( 5.467 0.529 -0.501) 5.515 6.765 ( 1.768 2.056 1.285) 3.001 6.796 ( 7.880 -4.698 1.125) 9.243 6.881 ( -4.572 -3.523 7.067) 9.125 7.006 ( -1.479 -11.648 0.934) 11.779 7.078 ( 2.577 -0.518 -1.520) 3.037 7.131 ( -0.863 -6.351 -1.556) 6.596 7.373 ( 8.088 14.520 -3.561) 16.998 7.552 ( 0.800 3.713 -1.921) 4.256 7.631 ( 4.739 0.456 -4.915) 6.843 7.734 ( 4.028 -5.467 -5.774) 8.914 8.003 ( 4.761 7.987 5.183) 10.645 8.061 ( 4.634 4.842 2.203) 7.055 8.228 ( -1.621 10.283 5.914) 11.973 8.294 ( -4.335 7.997 -2.546) 9.446 8.375 ( -8.710 -1.247 -4.043) 9.683 8.475 ( -0.833 -8.686 -1.941) 8.939 8.692 ( -2.674 5.025 -3.674) 6.775 8.856 ( -0.746 -3.435 -4.781) 5.934 9.073 ( -4.861 7.132 1.769) 8.811 9.223 ( -4.552 -0.947 1.484) 4.881 9.351 ( 0.800 6.436 1.466) 6.649 9.872 ( 11.368 -31.500 1.401) 33.518 10.599 ( -0.294 9.141 1.357) 9.246 10.785 ( -0.378 -7.249 2.871) 7.806 11.236 ( 0.801 3.005 2.379) 3.916 11.305 ( 1.637 -2.062 2.055) 3.339 11.717 ( -1.740 14.470 -3.067) 14.894 12.011 ( -1.267 -11.172 -1.815) 11.389 12.447 ( 1.100 4.339 -2.191) 4.984 12.536 ( 3.484 -4.050 -3.582) 6.432 14.027 ( -0.802 2.035 1.290) 2.540 14.185 ( -2.059 -11.235 0.871) 11.455 14.492 ( -0.170 -0.531 -3.313) 3.360 14.539 ( -0.143 -4.992 -2.439) 5.557 14.785 ( 0.773 5.220 2.311) 5.760 14.859 ( -0.880 -0.798 0.245) 1.213 15.106 ( 1.146 -1.558 2.013) 2.792 15.204 ( -1.212 -9.034 4.142) 10.012 15.308 ( -2.413 2.809 0.913) 3.814 15.405 ( -3.480 -6.291 1.346) 7.314 15.676 ( 0.640 3.659 -1.351) 3.953 15.756 ( 1.272 -3.209 -2.245) 4.118 24.625 ( 1.288 1.608 0.007) 2.060 24.649 ( 1.094 -0.566 0.849) 1.496 24.843 ( 3.403 2.135 -1.017) 4.144 24.877 ( 3.327 -1.005 -1.593) 3.823 25.074 ( -2.049 2.959 6.556) 7.479 25.161 ( -2.648 -5.267 6.246) 8.589 25.774 ( 1.226 1.472 -2.212) 2.926 25.809 ( 1.145 -1.915 -4.395) 4.929 26.653 ( -10.573 4.862 -4.701) 12.551 26.780 ( -14.663 -7.159 -6.859) 17.701 27.124 ( -7.181 11.277 3.400) 13.795 27.394 ( -7.996 -13.705 5.016) 16.641 28.901 ( 0.969 5.145 1.250) 5.382 28.980 ( 0.433 -2.297 2.228) 3.229 29.961 ( 11.484 15.517 -1.724) 19.381 30.205 ( 16.244 -6.832 -3.741) 18.015 ======================= Grid point 116 (64/104) ======================= q-point: (-0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -6.266 29.056 11.146) 31.745 2.704 ( -13.055 31.292 5.457) 34.343 2.951 ( -2.712 -16.132 5.383) 17.222 3.143 ( -10.019 -0.686 3.750) 10.720 3.229 ( -12.842 -6.488 0.447) 14.395 3.349 ( -9.941 -22.603 6.837) 25.622 3.956 ( -5.405 6.357 -0.005) 8.344 4.141 ( -2.570 -9.023 -1.418) 9.489 4.265 ( 2.729 7.623 -0.942) 8.152 4.306 ( -2.173 14.601 -10.391) 18.053 4.403 ( 4.038 -4.109 -8.074) 9.919 4.465 ( 1.089 -3.947 -7.482) 8.529 4.745 ( -5.143 20.160 10.386) 23.254 4.813 ( 0.665 4.094 9.473) 10.341 4.863 ( -1.164 -1.243 11.435) 11.561 5.157 ( -5.509 -10.697 7.232) 14.039 5.376 ( 1.199 2.588 -3.962) 4.882 5.409 ( -1.334 0.409 -5.612) 5.783 5.496 ( -0.815 14.091 -1.279) 14.173 5.658 ( -2.046 3.879 6.648) 7.964 5.767 ( 2.988 6.620 -8.678) 11.316 5.903 ( 7.739 -2.870 -3.114) 8.822 6.156 ( -0.509 -3.879 -6.437) 7.532 6.231 ( 1.437 -3.112 -4.655) 5.780 6.542 ( 1.618 5.451 -4.437) 7.213 6.693 ( -5.519 -3.224 -3.071) 7.091 6.819 ( 0.660 1.346 -0.598) 1.614 6.878 ( -7.463 -12.371 5.150) 15.339 6.948 ( 5.189 4.227 7.899) 10.353 7.030 ( 6.431 -4.662 4.423) 9.091 7.290 ( 14.513 2.422 3.267) 15.071 7.316 ( 17.328 1.862 -0.796) 17.446 7.479 ( 6.586 6.618 -4.748) 10.474 7.550 ( 1.541 2.108 -2.689) 3.748 7.665 ( 3.452 4.526 -3.863) 6.880 7.775 ( 5.630 -3.165 -2.693) 6.998 7.999 ( -6.434 7.177 1.966) 9.837 8.090 ( -4.633 3.128 -0.836) 5.653 8.105 ( -12.755 8.972 -3.731) 16.035 8.207 ( -2.077 7.121 -2.989) 7.997 8.300 ( 1.032 0.565 -0.885) 1.473 8.418 ( -3.239 1.447 0.625) 3.602 8.646 ( 2.124 2.548 -1.478) 3.632 8.815 ( 1.356 2.880 -2.240) 3.892 8.943 ( -7.450 -0.285 1.472) 7.600 9.163 ( -3.969 -9.763 5.311) 11.802 9.426 ( 2.659 11.623 0.725) 11.946 9.939 ( -2.768 -28.701 -3.114) 29.002 10.674 ( 4.174 5.238 4.525) 8.083 10.836 ( 1.333 -7.569 5.655) 9.542 11.258 ( 0.654 1.994 -0.002) 2.098 11.349 ( 1.136 -4.431 1.712) 4.884 11.678 ( -0.394 8.924 0.358) 8.940 11.885 ( -6.101 -9.867 -0.548) 11.614 12.478 ( 0.897 7.351 -1.815) 7.625 12.614 ( 7.458 -4.055 -4.873) 9.789 14.036 ( 0.161 2.206 1.512) 2.679 14.165 ( -1.004 -7.814 1.314) 7.987 14.468 ( 0.631 -0.778 -2.746) 2.923 14.528 ( 0.503 -5.767 -0.868) 5.853 14.786 ( 0.162 3.365 -1.651) 3.751 14.861 ( -0.672 -1.296 1.470) 2.072 15.126 ( -0.541 -1.443 0.103) 1.544 15.152 ( -5.429 -2.728 1.199) 6.194 15.312 ( 0.085 -1.053 2.707) 2.906 15.358 ( -2.669 -4.786 2.013) 5.838 15.688 ( 1.213 2.772 -1.449) 3.355 15.769 ( 2.118 -3.784 -2.893) 5.212 24.643 ( 1.030 1.820 -0.771) 2.229 24.673 ( 0.919 -0.815 -0.268) 1.257 24.882 ( 2.201 2.035 -2.101) 3.660 24.911 ( 2.455 -0.690 -2.503) 3.573 25.108 ( -1.862 2.526 7.357) 7.999 25.183 ( -2.623 -4.701 7.742) 9.429 25.774 ( -0.296 1.005 -0.077) 1.050 25.795 ( 0.703 -0.871 -2.158) 2.431 26.475 ( -4.327 0.759 -1.346) 4.595 26.495 ( -7.528 -1.088 -3.411) 8.336 27.032 ( -5.900 9.334 1.060) 11.093 27.274 ( -7.992 -13.146 1.098) 15.424 28.940 ( 1.336 4.629 1.726) 5.117 29.012 ( 0.499 -2.205 2.093) 3.081 30.116 ( 7.123 17.717 -2.266) 19.230 30.416 ( 11.143 -9.938 -6.728) 16.377 ======================= Grid point 147 (65/104) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -3.314 0.000 29.495) 29.680 1.652 ( -1.444 0.000 31.777) 31.810 1.976 ( 3.259 0.000 -23.115) 23.343 2.398 ( 1.230 0.000 -29.274) 29.300 3.058 ( 5.300 0.000 57.387) 57.632 3.792 ( -0.776 0.000 -6.226) 6.274 4.028 ( -5.433 0.000 13.997) 15.014 4.071 ( 0.530 0.000 0.413) 0.672 4.234 ( 2.896 0.000 1.658) 3.337 4.242 ( -5.572 0.000 16.935) 17.828 4.377 ( -5.561 0.000 2.232) 5.992 4.542 ( 2.402 0.000 -2.304) 3.328 4.582 ( 5.186 0.000 -5.832) 7.804 4.677 ( 7.037 0.000 -8.478) 11.018 4.974 ( -0.990 0.000 2.933) 3.095 5.004 ( -3.842 0.000 -3.276) 5.049 5.036 ( 3.530 0.000 -8.734) 9.420 5.132 ( -4.085 0.000 3.996) 5.715 5.318 ( -1.788 0.000 -17.677) 17.768 5.426 ( 0.689 0.000 -18.393) 18.406 5.639 ( -6.483 0.000 5.681) 8.620 5.721 ( -3.332 0.000 -4.536) 5.628 5.849 ( -11.261 0.000 3.639) 11.834 5.893 ( 10.025 0.000 -1.427) 10.126 6.130 ( 12.462 0.000 2.676) 12.746 6.240 ( -7.691 0.000 4.191) 8.759 6.287 ( -3.405 0.000 -9.873) 10.444 6.401 ( 4.323 0.000 -11.251) 12.053 6.860 ( 9.809 0.000 5.530) 11.260 7.013 ( -8.050 0.000 -7.789) 11.201 7.109 ( -3.294 0.000 -1.481) 3.612 7.120 ( 3.802 0.000 -3.801) 5.376 7.428 ( -1.065 0.000 10.066) 10.122 7.609 ( -4.871 0.000 3.283) 5.874 7.621 ( -3.478 0.000 -0.546) 3.520 7.682 ( 2.836 0.000 -10.560) 10.935 7.830 ( -4.884 0.000 5.801) 7.583 7.945 ( 2.091 0.000 -3.760) 4.303 8.192 ( 4.486 0.000 4.355) 6.252 8.280 ( -4.006 0.000 -3.444) 5.283 8.470 ( 4.625 0.000 2.061) 5.064 8.483 ( -4.089 0.000 2.185) 4.637 8.775 ( -0.757 0.000 4.535) 4.598 8.862 ( 0.173 0.000 -3.642) 3.646 8.940 ( 12.668 0.000 6.737) 14.348 9.121 ( -10.816 0.000 -8.126) 13.529 9.886 ( -2.245 0.000 24.322) 24.425 10.324 ( 6.776 0.000 -14.047) 15.596 10.774 ( 10.383 0.000 3.583) 10.984 10.889 ( -4.117 0.000 -5.553) 6.913 11.172 ( -7.590 0.000 3.933) 8.548 11.255 ( 2.847 0.000 -2.357) 3.696 11.932 ( 8.814 0.000 5.267) 10.268 12.065 ( -10.177 0.000 -5.565) 11.600 12.332 ( -6.993 0.000 4.664) 8.406 12.445 ( 9.004 0.000 -5.790) 10.705 14.172 ( 6.007 0.000 0.807) 6.061 14.212 ( -10.211 0.000 -2.706) 10.563 14.724 ( -1.227 0.000 4.163) 4.340 14.792 ( 1.774 0.000 -1.751) 2.493 15.036 ( -3.178 0.000 6.117) 6.893 15.167 ( -1.723 0.000 -2.984) 3.446 15.211 ( 1.616 0.000 -0.851) 1.826 15.246 ( 2.996 0.000 -6.768) 7.401 15.348 ( 9.209 0.000 1.212) 9.288 15.365 ( -6.538 0.000 -0.245) 6.542 16.084 ( 0.967 0.000 3.834) 3.954 16.130 ( -0.701 0.000 -0.620) 0.936 24.566 ( 1.644 0.000 0.539) 1.730 24.586 ( -1.808 0.000 -1.155) 2.145 24.809 ( -2.636 0.000 2.787) 3.836 24.866 ( 2.607 0.000 -2.412) 3.551 25.181 ( -3.515 0.000 6.933) 7.773 25.336 ( 3.732 0.000 -6.925) 7.867 25.830 ( -23.226 0.000 0.570) 23.233 25.834 ( 12.042 0.000 0.237) 12.044 26.539 ( -0.130 0.000 5.456) 5.457 26.678 ( 0.557 0.000 -7.063) 7.085 27.941 ( -10.538 0.000 3.759) 11.188 28.024 ( 15.584 0.000 -3.797) 16.040 28.635 ( -1.716 0.000 1.171) 2.077 28.646 ( 1.390 0.000 0.263) 1.415 29.141 ( -9.093 0.000 3.790) 9.851 29.230 ( 16.201 0.000 -4.023) 16.693 ======================= Grid point 148 (66/104) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 17.697 0.000 20.803) 27.312 1.953 ( 20.850 0.000 -8.539) 22.531 2.100 ( 12.504 0.000 13.465) 18.375 2.250 ( 12.859 0.000 -26.005) 29.011 3.576 ( -1.468 0.000 -30.122) 30.157 3.584 ( 2.658 0.000 28.994) 29.116 3.966 ( -10.767 0.000 5.854) 12.255 4.056 ( -3.698 0.000 2.233) 4.320 4.192 ( -6.990 0.000 -0.692) 7.024 4.246 ( -7.523 0.000 9.567) 12.171 4.359 ( 1.397 0.000 3.246) 3.534 4.609 ( 6.878 0.000 -0.496) 6.896 4.645 ( 8.649 0.000 -4.031) 9.542 4.740 ( 3.614 0.000 -7.903) 8.690 4.850 ( -5.554 0.000 -2.856) 6.245 4.923 ( 3.268 0.000 -5.769) 6.630 5.194 ( 8.554 0.000 10.197) 13.310 5.203 ( -1.354 0.000 13.332) 13.400 5.258 ( 9.788 0.000 -4.912) 10.952 5.399 ( 6.151 0.000 -8.003) 10.094 5.537 ( -9.286 0.000 4.330) 10.245 5.636 ( -13.518 0.000 2.492) 13.746 5.722 ( -0.450 0.000 2.719) 2.756 6.014 ( -1.409 0.000 -1.677) 2.190 6.129 ( 3.836 0.000 -8.741) 9.546 6.164 ( -5.936 0.000 9.913) 11.554 6.312 ( 6.588 0.000 -0.805) 6.637 6.427 ( 8.050 0.000 -5.427) 9.709 6.778 ( -7.842 0.000 -8.989) 11.929 6.998 ( -7.375 0.000 -0.366) 7.384 7.066 ( 4.906 0.000 6.661) 8.272 7.144 ( 0.131 0.000 -0.805) 0.815 7.464 ( -13.362 0.000 8.307) 15.734 7.567 ( 1.663 0.000 -2.781) 3.241 7.581 ( 5.422 0.000 9.946) 11.328 7.687 ( 5.060 0.000 -5.896) 7.770 7.863 ( 2.570 0.000 4.176) 4.903 7.883 ( -4.401 0.000 -2.174) 4.908 8.276 ( 5.913 0.000 -2.385) 6.376 8.307 ( 1.649 0.000 3.045) 3.463 8.416 ( -3.295 0.000 -1.278) 3.534 8.617 ( 7.265 0.000 4.018) 8.302 8.768 ( -3.634 0.000 -6.351) 7.317 8.796 ( -0.823 0.000 3.821) 3.909 8.946 ( 1.071 0.000 -9.377) 9.438 9.236 ( 9.133 0.000 6.826) 11.402 10.016 ( -4.015 0.000 20.163) 20.559 10.236 ( 1.556 0.000 -26.696) 26.741 10.670 ( -11.102 0.000 -10.085) 14.999 10.817 ( -8.483 0.000 4.404) 9.558 11.112 ( -1.294 0.000 9.678) 9.765 11.180 ( -9.505 0.000 -4.657) 10.585 11.753 ( -16.914 0.000 -6.352) 18.068 12.133 ( 1.826 0.000 12.314) 12.449 12.245 ( -0.961 0.000 -0.629) 1.149 12.552 ( 8.437 0.000 -6.389) 10.583 14.061 ( -5.899 0.000 1.996) 6.228 14.304 ( 4.759 0.000 2.624) 5.434 14.808 ( 4.942 0.000 1.814) 5.264 14.891 ( 10.606 0.000 -1.985) 10.790 15.047 ( -4.060 0.000 8.673) 9.577 15.111 ( -0.262 0.000 -3.479) 3.489 15.223 ( 0.473 0.000 -3.955) 3.983 15.252 ( 3.090 0.000 -3.622) 4.761 15.289 ( 1.168 0.000 1.222) 1.690 15.534 ( 10.645 0.000 -1.773) 10.791 16.092 ( -1.996 0.000 -2.028) 2.845 16.117 ( -0.287 0.000 1.998) 2.018 24.542 ( -1.716 0.000 -1.006) 1.989 24.597 ( 0.666 0.000 1.394) 1.545 24.779 ( -3.173 0.000 2.239) 3.883 24.876 ( 0.722 0.000 -2.329) 2.439 25.193 ( -2.507 0.000 6.902) 7.343 25.354 ( 5.135 0.000 -7.189) 8.835 25.571 ( -10.067 0.000 7.381) 12.483 26.130 ( 15.120 0.000 6.802) 16.579 26.604 ( 1.772 0.000 5.097) 5.396 26.609 ( -1.934 0.000 -5.920) 6.228 27.748 ( -10.155 0.000 -0.645) 10.175 28.164 ( 5.999 0.000 -5.495) 8.135 28.609 ( -2.227 0.000 0.746) 2.349 28.673 ( 1.355 0.000 0.008) 1.355 28.999 ( -7.725 0.000 0.651) 7.752 29.430 ( 12.031 0.000 -9.958) 15.617 ======================= Grid point 149 (67/104) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 17.637 0.000 -5.197) 18.386 2.201 ( 20.237 0.000 -26.102) 33.028 2.459 ( 20.961 0.000 -2.364) 21.094 2.497 ( 10.042 0.000 24.625) 26.594 3.310 ( 4.718 0.000 -30.533) 30.895 3.610 ( -8.788 0.000 -3.693) 9.532 3.807 ( -11.601 0.000 4.644) 12.496 4.036 ( -5.250 0.000 -0.911) 5.329 4.049 ( -2.002 0.000 4.169) 4.625 4.153 ( -7.586 0.000 -0.104) 7.587 4.416 ( 0.939 0.000 4.342) 4.442 4.661 ( -2.771 0.000 -3.828) 4.726 4.741 ( 0.561 0.000 -2.431) 2.495 4.744 ( 5.133 0.000 2.445) 5.686 4.824 ( 1.398 0.000 7.954) 8.076 5.113 ( 19.168 0.000 -2.609) 19.345 5.278 ( -6.791 0.000 -2.276) 7.162 5.281 ( -5.896 0.000 -13.782) 14.990 5.355 ( -7.396 0.000 20.828) 22.103 5.421 ( 0.888 0.000 11.775) 11.808 5.523 ( 7.309 0.000 -6.016) 9.466 5.565 ( 6.100 0.000 15.065) 16.254 5.762 ( 4.002 0.000 2.864) 4.922 5.868 ( -0.109 0.000 -8.052) 8.053 6.170 ( -6.692 0.000 11.403) 13.222 6.208 ( 2.045 0.000 -3.034) 3.659 6.399 ( 3.688 0.000 2.800) 4.631 6.476 ( -6.355 0.000 -7.766) 10.035 6.758 ( 18.079 0.000 2.315) 18.227 6.860 ( -5.705 0.000 -0.360) 5.716 7.153 ( -3.879 0.000 9.531) 10.290 7.161 ( 4.236 0.000 0.055) 4.237 7.306 ( -8.825 0.000 7.166) 11.368 7.592 ( 4.534 0.000 -5.664) 7.255 7.775 ( 6.062 0.000 2.123) 6.423 7.806 ( 8.857 0.000 6.270) 10.852 7.817 ( -0.182 0.000 -2.195) 2.202 7.973 ( 5.356 0.000 3.196) 6.238 8.261 ( -4.776 0.000 -6.139) 7.778 8.323 ( -0.217 0.000 -0.141) 0.259 8.434 ( 3.676 0.000 2.627) 4.518 8.575 ( -7.529 0.000 -3.070) 8.131 8.820 ( 4.305 0.000 0.039) 4.305 8.845 ( 2.434 0.000 5.344) 5.872 8.945 ( 8.432 0.000 -7.384) 11.208 9.311 ( -5.459 0.000 2.435) 5.978 9.889 ( -9.040 0.000 -28.423) 29.826 10.150 ( -5.498 0.000 16.963) 17.832 10.331 ( -9.349 0.000 -11.059) 14.481 10.735 ( -4.506 0.000 4.268) 6.206 10.921 ( -9.810 0.000 -6.636) 11.844 11.158 ( -7.109 0.000 7.955) 10.669 11.418 ( -10.749 0.000 -3.768) 11.390 12.019 ( -13.415 0.000 3.405) 13.841 12.460 ( 11.875 0.000 6.013) 13.310 12.638 ( 8.183 0.000 -6.793) 10.635 14.006 ( -4.353 0.000 4.913) 6.564 14.384 ( 2.474 0.000 2.375) 3.429 14.888 ( 3.367 0.000 -1.402) 3.648 14.978 ( -6.971 0.000 1.457) 7.122 15.042 ( 4.827 0.000 -3.338) 5.869 15.100 ( 1.257 0.000 -1.748) 2.153 15.213 ( 1.008 0.000 2.609) 2.797 15.304 ( 5.568 0.000 -1.442) 5.752 15.457 ( 11.833 0.000 3.630) 12.378 15.691 ( 8.802 0.000 -3.267) 9.389 16.022 ( -2.883 0.000 -3.447) 4.494 16.108 ( -1.697 0.000 -0.030) 1.697 24.512 ( -0.689 0.000 -0.463) 0.830 24.615 ( -0.308 0.000 1.952) 1.976 24.738 ( -3.219 0.000 1.540) 3.568 24.847 ( -1.557 0.000 -2.275) 2.757 25.201 ( -4.344 0.000 8.080) 9.174 25.382 ( 5.512 0.000 -8.007) 9.721 25.555 ( -0.902 0.000 8.087) 8.138 26.355 ( -2.875 0.000 1.184) 3.109 26.534 ( 3.536 0.000 -0.732) 3.611 26.689 ( 3.213 0.000 3.121) 4.479 27.674 ( 2.841 0.000 2.579) 3.837 28.182 ( 1.888 0.000 -4.892) 5.244 28.569 ( -2.601 0.000 0.406) 2.632 28.683 ( 0.135 0.000 -2.239) 2.243 28.912 ( -3.075 0.000 3.898) 4.965 29.496 ( 6.795 0.000 -11.410) 13.280 ======================= Grid point 150 (68/104) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 12.458 0.000 -20.220) 23.750 2.430 ( 20.055 0.000 -6.371) 21.043 2.784 ( 17.134 0.000 -3.536) 17.495 2.831 ( 2.398 0.000 13.194) 13.410 3.174 ( 1.942 0.000 -7.006) 7.271 3.352 ( -13.500 0.000 -5.196) 14.466 3.604 ( -12.483 0.000 3.291) 12.910 3.941 ( -12.721 0.000 -0.835) 12.749 3.993 ( -3.964 0.000 -1.465) 4.226 4.121 ( 11.920 0.000 0.079) 11.920 4.553 ( 7.130 0.000 0.868) 7.183 4.564 ( -4.540 0.000 -1.723) 4.856 4.676 ( -2.347 0.000 -6.910) 7.297 4.788 ( -3.510 0.000 5.651) 6.652 4.984 ( 1.470 0.000 12.815) 12.899 5.005 ( -7.508 0.000 -10.955) 13.281 5.133 ( -5.485 0.000 0.843) 5.549 5.325 ( 2.068 0.000 -7.137) 7.430 5.396 ( -3.872 0.000 -1.224) 4.061 5.435 ( -2.339 0.000 17.640) 17.795 5.642 ( 12.103 0.000 -4.173) 12.802 5.829 ( 2.066 0.000 10.504) 10.705 5.852 ( -0.361 0.000 -2.089) 2.120 5.955 ( 3.083 0.000 13.678) 14.021 6.121 ( -6.468 0.000 15.638) 16.923 6.227 ( 5.011 0.000 -6.099) 7.894 6.336 ( 9.098 0.000 -11.399) 14.585 6.547 ( 8.435 0.000 4.329) 9.480 6.810 ( 0.916 0.000 -3.052) 3.187 7.089 ( 10.852 0.000 4.101) 11.601 7.146 ( -5.463 0.000 11.342) 12.589 7.308 ( 3.183 0.000 4.281) 5.335 7.333 ( 14.115 0.000 -2.296) 14.300 7.638 ( 4.258 0.000 -1.553) 4.532 7.818 ( 2.914 0.000 -4.705) 5.534 7.882 ( -0.546 0.000 4.088) 4.124 7.956 ( 6.349 0.000 -6.152) 8.840 8.102 ( 0.373 0.000 -10.404) 10.411 8.117 ( 4.772 0.000 6.163) 7.794 8.326 ( 2.209 0.000 -0.622) 2.295 8.391 ( -8.564 0.000 -3.741) 9.346 8.507 ( 0.303 0.000 6.161) 6.169 8.831 ( -0.538 0.000 -1.607) 1.695 8.952 ( 0.062 0.000 8.851) 8.851 9.041 ( 2.946 0.000 -3.112) 4.286 9.119 ( -13.873 0.000 -5.050) 14.764 9.485 ( -7.952 0.000 -18.907) 20.511 9.883 ( -16.866 0.000 -1.574) 16.940 10.379 ( 1.837 0.000 6.500) 6.754 10.695 ( -2.021 0.000 -2.513) 3.225 10.763 ( -2.046 0.000 -2.192) 2.999 10.962 ( -13.466 0.000 2.298) 13.661 11.356 ( -0.719 0.000 4.139) 4.201 11.790 ( -12.844 0.000 0.501) 12.854 12.693 ( 7.630 0.000 4.928) 9.083 12.736 ( 8.705 0.000 -5.438) 10.264 13.981 ( -4.283 0.000 6.697) 7.950 14.451 ( 1.825 0.000 1.816) 2.575 14.816 ( -5.563 0.000 -6.635) 8.658 14.916 ( 1.913 0.000 -2.243) 2.949 15.091 ( 1.010 0.000 2.469) 2.667 15.114 ( 2.343 0.000 -2.157) 3.184 15.287 ( 2.316 0.000 5.869) 6.309 15.420 ( 6.551 0.000 1.243) 6.668 15.680 ( 8.935 0.000 1.032) 8.994 15.784 ( 5.169 0.000 -4.570) 6.899 15.929 ( -2.977 0.000 -4.595) 5.475 16.056 ( -2.886 0.000 -1.982) 3.501 24.513 ( 1.022 0.000 0.095) 1.026 24.625 ( -0.632 0.000 2.122) 2.214 24.691 ( -3.047 0.000 0.780) 3.145 24.784 ( -2.945 0.000 -1.963) 3.540 25.193 ( -5.322 0.000 9.542) 10.926 25.406 ( 5.724 0.000 -8.937) 10.613 25.640 ( 0.999 0.000 8.196) 8.256 26.170 ( -8.258 0.000 -6.080) 10.255 26.658 ( 6.169 0.000 0.674) 6.206 26.774 ( 3.905 0.000 0.669) 3.961 27.826 ( 4.727 0.000 8.885) 10.064 28.158 ( 0.382 0.000 -4.279) 4.296 28.527 ( -2.155 0.000 0.055) 2.155 28.632 ( -1.687 0.000 -4.297) 4.617 28.959 ( 0.089 0.000 9.825) 9.826 29.489 ( 4.547 0.000 -11.706) 12.558 ======================= Grid point 151 (69/104) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 15.318 0.000 -8.264) 17.406 2.707 ( 14.442 0.000 -3.873) 14.952 2.816 ( -5.603 0.000 3.213) 6.458 3.024 ( -17.799 0.000 -3.932) 18.228 3.060 ( 19.319 0.000 -7.610) 20.764 3.215 ( -5.530 0.000 10.584) 11.942 3.539 ( 0.329 0.000 6.819) 6.827 3.778 ( -5.189 0.000 3.665) 6.352 3.922 ( -0.927 0.000 -2.862) 3.008 4.255 ( -0.402 0.000 0.505) 0.645 4.488 ( -1.940 0.000 -1.841) 2.674 4.539 ( -3.170 0.000 -6.800) 7.503 4.546 ( -2.387 0.000 -12.304) 12.533 4.725 ( -12.394 0.000 7.079) 14.273 4.877 ( 3.424 0.000 -4.055) 5.307 5.076 ( 1.245 0.000 10.881) 10.952 5.135 ( 0.344 0.000 -1.413) 1.454 5.221 ( 1.372 0.000 -11.012) 11.098 5.297 ( -8.344 0.000 2.791) 8.798 5.590 ( 0.741 0.000 14.229) 14.248 5.683 ( -3.690 0.000 -2.477) 4.444 5.786 ( -8.980 0.000 9.066) 12.761 5.882 ( 8.693 0.000 -3.910) 9.532 6.046 ( -5.129 0.000 10.927) 12.071 6.280 ( 5.693 0.000 1.378) 5.857 6.343 ( 1.792 0.000 27.376) 27.435 6.615 ( 24.720 0.000 -10.646) 26.915 6.710 ( 7.852 0.000 -4.313) 8.958 6.787 ( 1.439 0.000 -5.097) 5.296 7.144 ( -5.354 0.000 6.953) 8.776 7.214 ( 3.976 0.000 -7.252) 8.271 7.520 ( 6.046 0.000 -7.015) 9.261 7.545 ( 17.779 0.000 3.278) 18.079 7.655 ( 1.858 0.000 -1.633) 2.474 7.831 ( 3.446 0.000 2.357) 4.175 7.883 ( 3.091 0.000 -3.579) 4.728 7.936 ( 0.812 0.000 -9.670) 9.704 8.128 ( -6.967 0.000 -2.222) 7.312 8.146 ( 5.008 0.000 -0.874) 5.084 8.251 ( -2.212 0.000 -1.659) 2.765 8.470 ( 8.137 0.000 8.612) 11.848 8.571 ( -0.178 0.000 6.704) 6.706 8.723 ( -21.523 0.000 -3.274) 21.771 8.783 ( -2.783 0.000 -2.612) 3.817 8.908 ( -6.775 0.000 -9.834) 11.942 9.010 ( -0.568 0.000 3.178) 3.228 9.352 ( 1.861 0.000 -2.721) 3.296 9.598 ( -14.102 0.000 -0.716) 14.120 10.407 ( -0.853 0.000 0.685) 1.094 10.579 ( -4.752 0.000 -6.628) 8.155 10.791 ( 2.046 0.000 4.060) 4.547 10.845 ( -2.343 0.000 2.677) 3.558 11.396 ( 0.387 0.000 4.597) 4.613 11.591 ( -8.391 0.000 -0.243) 8.395 12.823 ( 2.499 0.000 3.143) 4.016 12.841 ( 7.047 0.000 -3.861) 8.035 13.978 ( -3.346 0.000 8.336) 8.982 14.412 ( -3.502 0.000 -7.567) 8.338 14.747 ( 1.402 0.000 1.097) 1.780 14.922 ( 1.168 0.000 -2.629) 2.877 15.123 ( -1.176 0.000 4.471) 4.623 15.149 ( 3.748 0.000 -2.286) 4.390 15.402 ( 3.562 0.000 7.191) 8.025 15.543 ( 4.215 0.000 3.181) 5.281 15.792 ( 1.281 0.000 -6.144) 6.276 15.798 ( 4.294 0.000 -1.031) 4.416 15.835 ( -2.120 0.000 -5.101) 5.524 15.973 ( -3.402 0.000 -3.363) 4.784 24.549 ( 2.551 0.000 0.223) 2.560 24.628 ( -2.359 0.000 3.157) 3.941 24.648 ( -0.620 0.000 -1.102) 1.264 24.714 ( -2.744 0.000 -1.268) 3.023 25.187 ( -5.526 0.000 10.657) 12.004 25.425 ( 5.819 0.000 -9.852) 11.442 25.723 ( -0.404 0.000 8.117) 8.127 26.010 ( -3.015 0.000 -5.901) 6.627 26.755 ( 3.868 0.000 0.494) 3.899 26.834 ( 2.602 0.000 -1.068) 2.813 27.952 ( 0.295 0.000 8.190) 8.196 28.128 ( 0.777 0.000 -3.786) 3.865 28.496 ( -1.136 0.000 -0.104) 1.140 28.563 ( -1.494 0.000 -3.832) 4.113 29.058 ( -0.958 0.000 12.032) 12.070 29.456 ( 4.080 0.000 -12.040) 12.712 ======================= Grid point 152 (70/104) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -21.777 0.000 -3.933) 22.129 2.599 ( 9.092 0.000 3.924) 9.902 2.801 ( 5.698 0.000 -2.512) 6.228 2.916 ( 11.297 0.000 -5.812) 12.704 3.126 ( -16.330 0.000 10.609) 19.474 3.330 ( 15.616 0.000 -6.193) 16.800 3.633 ( 3.457 0.000 6.362) 7.241 3.797 ( 3.314 0.000 -0.810) 3.411 3.927 ( 1.477 0.000 3.994) 4.259 4.145 ( -8.697 0.000 -6.917) 11.112 4.413 ( -0.121 0.000 -2.397) 2.400 4.425 ( -2.249 0.000 -4.263) 4.820 4.504 ( 5.378 0.000 0.965) 5.464 4.558 ( -7.202 0.000 1.450) 7.346 4.957 ( -13.541 0.000 -1.764) 13.655 4.988 ( 7.309 0.000 -0.805) 7.353 5.098 ( -10.479 0.000 7.165) 12.694 5.251 ( 8.938 0.000 -6.171) 10.861 5.342 ( 7.655 0.000 6.940) 10.333 5.508 ( -2.629 0.000 -7.411) 7.864 5.746 ( -8.158 0.000 12.458) 14.891 5.841 ( 7.565 0.000 11.910) 14.109 5.981 ( 6.535 0.000 -5.859) 8.777 5.983 ( -7.272 0.000 2.415) 7.662 6.432 ( 6.215 0.000 5.896) 8.567 6.497 ( -7.968 0.000 11.183) 13.731 6.707 ( -6.047 0.000 0.933) 6.119 6.853 ( 5.333 0.000 1.661) 5.585 6.866 ( 7.215 0.000 -6.173) 9.496 7.111 ( -2.735 0.000 10.547) 10.896 7.133 ( 3.412 0.000 -18.757) 19.065 7.391 ( -2.266 0.000 -13.348) 13.539 7.788 ( -2.034 0.000 -1.937) 2.809 7.806 ( 2.072 0.000 -3.408) 3.988 7.860 ( 4.879 0.000 1.046) 4.990 7.915 ( -7.983 0.000 1.393) 8.104 7.953 ( 6.312 0.000 -2.681) 6.858 7.956 ( 0.128 0.000 3.812) 3.814 8.139 ( -5.156 0.000 0.787) 5.215 8.209 ( -0.949 0.000 -3.559) 3.684 8.427 ( -4.262 0.000 6.460) 7.739 8.579 ( -4.014 0.000 -2.153) 4.556 8.649 ( 1.473 0.000 5.246) 5.448 8.736 ( 2.465 0.000 -2.015) 3.184 8.863 ( 11.505 0.000 -0.945) 11.544 8.968 ( -4.798 0.000 -5.781) 7.513 9.393 ( -6.174 0.000 0.570) 6.201 9.405 ( 5.123 0.000 0.223) 5.127 10.402 ( 0.048 0.000 1.287) 1.288 10.467 ( -1.096 0.000 -5.022) 5.140 10.855 ( 1.858 0.000 1.517) 2.398 10.865 ( 1.944 0.000 0.168) 1.951 11.454 ( 2.045 0.000 3.568) 4.112 11.491 ( -2.703 0.000 -0.213) 2.711 12.844 ( -2.775 0.000 2.264) 3.582 12.906 ( 3.358 0.000 -3.218) 4.651 14.026 ( -0.829 0.000 10.840) 10.872 14.264 ( -2.139 0.000 -10.194) 10.416 14.811 ( 1.402 0.000 4.133) 4.364 14.904 ( -0.053 0.000 -3.985) 3.986 15.126 ( -2.516 0.000 3.494) 4.306 15.202 ( 4.364 0.000 -2.892) 5.235 15.535 ( 2.554 0.000 8.424) 8.803 15.610 ( -1.952 0.000 4.608) 5.005 15.737 ( -3.301 0.000 -4.796) 5.823 15.739 ( 1.448 0.000 -7.822) 7.955 15.859 ( 3.477 0.000 -0.769) 3.561 15.877 ( -3.742 0.000 -2.741) 4.638 24.592 ( -2.928 0.000 1.204) 3.166 24.599 ( 2.220 0.000 0.343) 2.247 24.657 ( 1.297 0.000 0.014) 1.297 24.671 ( -0.333 0.000 -1.090) 1.140 25.187 ( -5.637 0.000 11.318) 12.644 25.431 ( 5.175 0.000 -10.496) 11.703 25.779 ( -1.315 0.000 8.005) 8.113 25.941 ( 1.006 0.000 -6.123) 6.205 26.803 ( 0.330 0.000 1.404) 1.443 26.838 ( -0.963 0.000 -1.601) 1.868 28.002 ( -1.836 0.000 6.568) 6.820 28.120 ( 2.171 0.000 -4.068) 4.611 28.486 ( 0.002 0.000 0.335) 0.335 28.514 ( -0.403 0.000 -2.542) 2.574 29.138 ( -2.509 0.000 11.982) 12.242 29.415 ( 3.993 0.000 -12.870) 13.475 ======================= Grid point 153 (71/104) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -24.392 0.000 2.963) 24.572 2.631 ( -10.689 0.000 2.533) 10.986 2.841 ( -19.558 0.000 11.803) 22.844 3.022 ( 7.841 0.000 -10.261) 12.914 3.033 ( 19.551 0.000 -5.960) 20.440 3.456 ( 4.063 0.000 -7.630) 8.644 3.795 ( 3.326 0.000 -13.628) 14.028 3.807 ( 9.250 0.000 4.363) 10.228 3.915 ( -7.428 0.000 -5.240) 9.090 4.030 ( -2.615 0.000 15.744) 15.960 4.410 ( 1.580 0.000 2.045) 2.585 4.455 ( 4.384 0.000 0.741) 4.446 4.501 ( 1.224 0.000 -6.849) 6.957 4.709 ( 10.854 0.000 6.845) 12.832 4.804 ( -2.120 0.000 9.051) 9.296 4.953 ( -10.099 0.000 6.977) 12.275 5.029 ( -5.161 0.000 3.364) 6.161 5.332 ( 7.020 0.000 -9.031) 11.438 5.482 ( 6.864 0.000 -9.410) 11.647 5.546 ( 5.345 0.000 7.612) 9.301 5.683 ( -8.715 0.000 8.351) 12.070 5.880 ( -2.356 0.000 -3.028) 3.836 5.996 ( 4.957 0.000 -9.296) 10.535 6.090 ( 4.212 0.000 9.148) 10.071 6.327 ( -20.721 0.000 8.518) 22.403 6.442 ( -12.374 0.000 -5.992) 13.749 6.577 ( 1.997 0.000 6.589) 6.885 6.743 ( -6.377 0.000 -6.802) 9.324 7.008 ( 1.741 0.000 -26.625) 26.681 7.009 ( 2.786 0.000 11.017) 11.364 7.272 ( 4.081 0.000 13.872) 14.460 7.312 ( 6.007 0.000 -7.261) 9.424 7.579 ( -13.172 0.000 -0.889) 13.202 7.658 ( -11.632 0.000 -1.286) 11.703 7.789 ( -3.164 0.000 0.585) 3.218 7.791 ( -7.327 0.000 1.500) 7.479 7.966 ( -6.363 0.000 -5.905) 8.681 8.060 ( 4.288 0.000 4.811) 6.445 8.162 ( 0.905 0.000 5.715) 5.786 8.162 ( -2.772 0.000 -1.856) 3.336 8.526 ( -1.439 0.000 5.778) 5.955 8.576 ( 3.648 0.000 6.207) 7.200 8.727 ( 1.975 0.000 4.446) 4.865 8.750 ( 4.197 0.000 -6.023) 7.341 8.821 ( 2.998 0.000 -6.752) 7.388 9.125 ( 14.928 0.000 -5.702) 15.980 9.328 ( -4.558 0.000 -0.357) 4.572 9.571 ( 12.728 0.000 1.811) 12.856 10.440 ( 2.303 0.000 -3.396) 4.103 10.464 ( 4.658 0.000 3.829) 6.030 10.881 ( 0.568 0.000 -3.476) 3.522 10.909 ( 5.559 0.000 -2.447) 6.074 11.461 ( -0.437 0.000 -1.475) 1.539 11.556 ( 6.351 0.000 3.259) 7.138 12.770 ( -7.510 0.000 2.508) 7.917 12.899 ( -0.744 0.000 -3.656) 3.731 14.156 ( 2.570 0.000 13.942) 14.176 14.167 ( 1.096 0.000 -8.663) 8.732 14.836 ( -2.574 0.000 -5.705) 6.259 14.855 ( -0.356 0.000 3.416) 3.434 15.102 ( -2.599 0.000 1.978) 3.266 15.243 ( 3.833 0.000 -5.180) 6.444 15.533 ( -5.909 0.000 -2.508) 6.419 15.600 ( -5.943 0.000 0.062) 5.943 15.646 ( -0.926 0.000 4.640) 4.732 15.746 ( 2.486 0.000 0.236) 2.497 15.790 ( -4.313 0.000 -0.816) 4.390 15.929 ( 4.227 0.000 0.539) 4.261 24.552 ( -1.971 0.000 0.027) 1.971 24.619 ( -0.451 0.000 1.443) 1.511 24.691 ( 2.000 0.000 0.745) 2.134 24.693 ( 3.950 0.000 -2.571) 4.713 25.190 ( -5.544 0.000 11.253) 12.545 25.420 ( 4.133 0.000 -10.152) 10.961 25.839 ( -0.353 0.000 9.223) 9.230 25.908 ( 1.970 0.000 -8.241) 8.473 26.772 ( -4.624 0.000 -1.111) 4.755 26.797 ( -2.539 0.000 2.220) 3.373 28.024 ( -1.774 0.000 5.910) 6.170 28.119 ( 2.296 0.000 -6.207) 6.618 28.503 ( 0.976 0.000 -1.121) 1.486 28.504 ( 1.121 0.000 1.513) 1.884 29.193 ( -3.191 0.000 11.476) 11.912 29.355 ( 3.001 0.000 -14.592) 14.898 ======================= Grid point 154 (72/104) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -24.511 0.000 15.860) 29.194 2.236 ( -31.500 0.000 8.771) 32.698 2.756 ( -1.805 0.000 0.147) 1.811 3.008 ( -1.443 0.000 -7.718) 7.852 3.279 ( -15.454 0.000 -7.439) 17.151 3.309 ( 13.533 0.000 -2.248) 13.718 3.771 ( 9.676 0.000 -10.491) 14.272 3.813 ( -3.183 0.000 5.167) 6.069 4.001 ( -12.200 0.000 7.588) 14.367 4.019 ( 10.161 0.000 0.755) 10.189 4.470 ( 2.219 0.000 6.469) 6.839 4.529 ( 0.822 0.000 -0.108) 0.829 4.551 ( 3.206 0.000 4.892) 5.849 4.855 ( 2.620 0.000 0.409) 2.651 4.882 ( 2.205 0.000 -1.890) 2.904 5.021 ( 2.654 0.000 9.804) 10.157 5.062 ( 8.176 0.000 13.278) 15.594 5.315 ( 1.767 0.000 -11.273) 11.410 5.461 ( -1.672 0.000 -8.366) 8.531 5.527 ( -11.582 0.000 5.003) 12.616 5.685 ( 1.152 0.000 3.206) 3.407 5.818 ( -10.792 0.000 1.601) 10.910 5.987 ( -4.635 0.000 -4.958) 6.787 6.063 ( -2.099 0.000 -0.888) 2.279 6.072 ( -3.195 0.000 6.404) 7.157 6.267 ( -2.227 0.000 -5.317) 5.765 6.580 ( -1.330 0.000 -11.237) 11.316 6.696 ( -0.243 0.000 0.629) 0.674 6.833 ( 10.482 0.000 -20.977) 23.451 7.105 ( -1.633 0.000 4.874) 5.140 7.282 ( -11.789 0.000 2.110) 11.976 7.399 ( 4.679 0.000 -6.534) 8.037 7.412 ( 3.217 0.000 -7.989) 8.612 7.566 ( -7.485 0.000 6.119) 9.668 7.726 ( -5.695 0.000 10.643) 12.071 7.767 ( -5.751 0.000 4.402) 7.242 7.798 ( 4.583 0.000 1.128) 4.720 8.055 ( -4.685 0.000 -4.189) 6.285 8.131 ( -1.104 0.000 4.762) 4.888 8.238 ( -1.498 0.000 8.502) 8.633 8.428 ( -1.142 0.000 -5.952) 6.060 8.643 ( -0.598 0.000 -3.125) 3.181 8.787 ( 0.404 0.000 3.294) 3.318 8.871 ( 6.787 0.000 9.659) 11.806 8.986 ( 9.165 0.000 3.929) 9.971 9.180 ( -11.681 0.000 3.990) 12.344 9.234 ( 6.498 0.000 -11.334) 13.065 9.852 ( 14.300 0.000 0.866) 14.326 10.497 ( 8.032 0.000 -4.318) 9.119 10.618 ( 7.051 0.000 3.692) 7.959 10.806 ( -3.555 0.000 -5.841) 6.838 11.049 ( 13.860 0.000 -4.293) 14.509 11.434 ( -0.544 0.000 -2.747) 2.800 11.754 ( 11.539 0.000 3.715) 12.123 12.634 ( -10.003 0.000 3.721) 10.673 12.808 ( -4.793 0.000 -5.295) 7.142 14.132 ( 2.518 0.000 -6.979) 7.419 14.363 ( 4.988 0.000 13.251) 14.159 14.725 ( -3.543 0.000 -3.145) 4.738 14.862 ( -1.914 0.000 2.702) 3.311 15.082 ( -0.697 0.000 0.828) 1.082 15.221 ( -0.092 0.000 -8.146) 8.147 15.414 ( -2.460 0.000 -4.189) 4.858 15.442 ( -9.089 0.000 -0.951) 9.139 15.664 ( -4.166 0.000 6.223) 7.489 15.685 ( -6.972 0.000 -0.419) 6.985 15.817 ( 2.588 0.000 4.650) 5.321 16.015 ( 3.943 0.000 1.385) 4.179 24.523 ( -0.692 0.000 -0.743) 1.016 24.626 ( -0.168 0.000 1.287) 1.298 24.741 ( 2.115 0.000 1.744) 2.741 24.744 ( 4.385 0.000 -3.230) 5.446 25.193 ( -5.037 0.000 10.317) 11.481 25.399 ( 3.326 0.000 -8.966) 9.563 25.842 ( -0.186 0.000 -9.828) 9.830 25.963 ( 3.772 0.000 12.708) 13.256 26.662 ( -6.382 0.000 -0.128) 6.384 26.768 ( -2.076 0.000 1.319) 2.460 28.049 ( -1.598 0.000 5.868) 6.082 28.063 ( -0.606 0.000 -10.992) 11.009 28.526 ( 2.097 0.000 -0.158) 2.103 28.552 ( 1.787 0.000 2.802) 3.323 29.235 ( -3.554 0.000 10.920) 11.484 29.242 ( -0.036 0.000 -16.265) 16.265 ======================= Grid point 155 (73/104) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -21.117 0.000 28.953) 35.836 1.774 ( -31.095 0.000 19.041) 36.461 2.652 ( -5.823 0.000 -12.026) 13.361 2.670 ( -36.391 0.000 21.287) 42.159 3.008 ( -1.899 0.000 -19.859) 19.950 3.487 ( 6.343 0.000 4.670) 7.877 3.872 ( -1.997 0.000 15.161) 15.292 3.892 ( 0.978 0.000 6.928) 6.996 3.926 ( 6.745 0.000 -0.399) 6.757 4.146 ( 2.993 0.000 -1.823) 3.505 4.493 ( 0.893 0.000 -3.077) 3.204 4.545 ( -2.332 0.000 6.917) 7.300 4.667 ( 5.897 0.000 3.349) 6.782 4.875 ( -0.612 0.000 -7.250) 7.276 4.938 ( -6.828 0.000 8.881) 11.202 5.155 ( 2.089 0.000 2.143) 2.993 5.170 ( -1.960 0.000 -10.355) 10.539 5.218 ( 2.459 0.000 -4.298) 4.952 5.355 ( -6.019 0.000 5.486) 8.144 5.414 ( 0.817 0.000 4.226) 4.304 5.662 ( -4.501 0.000 8.135) 9.297 5.762 ( 8.124 0.000 -5.681) 9.913 5.773 ( -6.789 0.000 -2.756) 7.327 6.085 ( 2.882 0.000 -15.760) 16.021 6.159 ( 2.990 0.000 0.115) 2.993 6.330 ( 8.985 0.000 5.626) 10.601 6.394 ( -0.457 0.000 -13.943) 13.950 6.650 ( -0.549 0.000 -10.034) 10.049 6.902 ( -18.068 0.000 -10.361) 20.828 6.913 ( 10.685 0.000 -10.791) 15.186 7.156 ( -2.128 0.000 1.949) 2.885 7.406 ( 4.166 0.000 -13.387) 14.020 7.433 ( -9.034 0.000 7.450) 11.710 7.434 ( 6.493 0.000 -3.876) 7.562 7.695 ( -4.585 0.000 2.650) 5.295 7.776 ( 0.291 0.000 7.685) 7.691 7.919 ( -3.806 0.000 -1.603) 4.130 8.086 ( -5.571 0.000 -3.520) 6.590 8.092 ( 12.285 0.000 6.495) 13.896 8.234 ( -1.968 0.000 6.791) 7.070 8.511 ( 8.726 0.000 1.685) 8.887 8.544 ( -5.447 0.000 -6.791) 8.705 8.801 ( -1.531 0.000 2.172) 2.657 8.885 ( -14.646 0.000 -0.290) 14.649 8.969 ( -3.119 0.000 -3.045) 4.359 9.274 ( 5.145 0.000 4.332) 6.726 9.297 ( 5.110 0.000 22.267) 22.846 10.101 ( 12.236 0.000 4.897) 13.179 10.527 ( -0.075 0.000 -15.633) 15.633 10.762 ( 6.438 0.000 1.122) 6.535 10.794 ( 8.730 0.000 4.556) 9.847 11.322 ( 18.702 0.000 -5.889) 19.607 11.387 ( -1.282 0.000 -1.102) 1.690 12.016 ( 12.705 0.000 3.113) 13.081 12.498 ( -9.091 0.000 5.605) 10.680 12.623 ( -8.611 0.000 -8.002) 11.756 14.117 ( 1.949 0.000 -5.293) 5.641 14.459 ( -0.682 0.000 -3.403) 3.470 14.781 ( 5.193 0.000 13.816) 14.760 14.841 ( -2.807 0.000 2.478) 3.745 15.090 ( 0.805 0.000 -0.429) 0.912 15.103 ( -4.741 0.000 -6.232) 7.830 15.274 ( -8.689 0.000 1.343) 8.793 15.359 ( 1.215 0.000 -7.504) 7.601 15.513 ( -10.738 0.000 -2.042) 10.931 15.607 ( -7.161 0.000 4.274) 8.340 15.916 ( 2.645 0.000 5.937) 6.499 16.088 ( 2.549 0.000 1.352) 2.886 24.516 ( 0.696 0.000 -0.799) 1.060 24.633 ( -0.166 0.000 0.392) 0.426 24.791 ( 4.022 0.000 -3.186) 5.131 24.792 ( 0.979 0.000 2.607) 2.784 25.196 ( -4.479 0.000 8.759) 9.838 25.376 ( 2.578 0.000 -7.691) 8.111 25.740 ( -0.541 0.000 -8.603) 8.620 26.233 ( 11.839 0.000 13.167) 17.707 26.549 ( -5.930 0.000 -0.049) 5.930 26.748 ( -0.018 0.000 -1.946) 1.946 27.858 ( -8.311 0.000 -15.227) 17.347 28.066 ( -2.801 0.000 5.895) 6.526 28.570 ( 2.458 0.000 0.245) 2.470 28.613 ( 1.360 0.000 3.419) 3.680 29.071 ( -2.741 0.000 -11.843) 12.156 29.259 ( -4.669 0.000 9.898) 10.944 ======================= Grid point 156 (74/104) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -28.207 0.000 26.393) 38.629 1.533 ( -18.973 0.000 30.662) 36.057 2.309 ( -12.112 0.000 -21.675) 24.830 2.506 ( -12.293 0.000 45.789) 47.411 2.739 ( -5.620 0.000 -16.758) 17.675 3.681 ( 6.765 0.000 10.649) 12.616 3.973 ( -4.232 0.000 16.856) 17.379 4.035 ( 5.062 0.000 -1.538) 5.290 4.079 ( 4.688 0.000 16.142) 16.809 4.150 ( 2.539 0.000 -1.598) 3.000 4.534 ( 4.310 0.000 -2.157) 4.819 4.544 ( -3.919 0.000 5.706) 6.922 4.591 ( -18.351 0.000 0.802) 18.368 4.748 ( -3.843 0.000 -8.147) 9.007 4.862 ( 6.651 0.000 0.229) 6.655 5.018 ( 6.292 0.000 -17.745) 18.828 5.174 ( -8.497 0.000 4.083) 9.427 5.264 ( -10.512 0.000 5.606) 11.914 5.343 ( 8.964 0.000 -3.596) 9.659 5.562 ( 5.309 0.000 6.590) 8.463 5.716 ( 1.780 0.000 -7.403) 7.614 5.809 ( -1.953 0.000 -26.944) 27.014 5.815 ( 12.109 0.000 -0.785) 12.135 5.851 ( 6.963 0.000 -5.330) 8.768 6.130 ( -9.466 0.000 -4.798) 10.612 6.353 ( 1.493 0.000 -3.853) 4.132 6.367 ( -15.491 0.000 -0.245) 15.493 6.511 ( 0.086 0.000 -17.356) 17.357 6.642 ( 8.481 0.000 2.964) 8.984 7.010 ( 7.433 0.000 -3.965) 8.424 7.154 ( 0.012 0.000 -1.464) 1.464 7.267 ( -5.101 0.000 -11.206) 12.312 7.391 ( -4.833 0.000 10.024) 11.128 7.572 ( 7.681 0.000 -1.181) 7.772 7.637 ( -3.519 0.000 2.187) 4.143 7.802 ( -0.199 0.000 -7.900) 7.902 7.867 ( -0.330 0.000 -0.911) 0.969 7.945 ( -1.991 0.000 -3.955) 4.428 8.229 ( -7.945 0.000 0.815) 7.987 8.310 ( 2.445 0.000 4.375) 5.011 8.386 ( 1.180 0.000 0.415) 1.251 8.603 ( -12.531 0.000 3.964) 13.143 8.696 ( 5.388 0.000 1.555) 5.608 8.792 ( -1.310 0.000 3.188) 3.447 8.878 ( -0.047 0.000 -3.795) 3.795 9.341 ( -4.155 0.000 -1.346) 4.368 9.623 ( 3.886 0.000 27.496) 27.770 10.347 ( 1.577 0.000 -7.942) 8.097 10.463 ( 14.832 0.000 6.348) 16.133 10.882 ( 6.077 0.000 -0.688) 6.116 11.073 ( 13.035 0.000 4.358) 13.744 11.284 ( -2.466 0.000 -5.536) 6.060 11.666 ( 17.181 0.000 0.763) 17.198 12.213 ( 1.643 0.000 2.162) 2.716 12.396 ( -1.650 0.000 -10.930) 11.054 12.408 ( -7.344 0.000 6.421) 9.755 14.111 ( 2.080 0.000 -2.758) 3.455 14.384 ( -2.979 0.000 -4.950) 5.778 14.811 ( -2.440 0.000 1.269) 2.750 14.860 ( -12.757 0.000 0.744) 12.779 15.068 ( -3.507 0.000 1.030) 3.655 15.080 ( 8.393 0.000 6.641) 10.702 15.196 ( -1.054 0.000 1.403) 1.755 15.289 ( -1.103 0.000 -9.970) 10.031 15.318 ( -4.469 0.000 -1.853) 4.838 15.494 ( -8.071 0.000 2.015) 8.319 16.013 ( 2.042 0.000 5.310) 5.689 16.129 ( 0.848 0.000 0.586) 1.031 24.533 ( 1.623 0.000 -0.258) 1.644 24.622 ( -0.984 0.000 -0.647) 1.178 24.818 ( -1.064 0.000 2.961) 3.147 24.833 ( 3.524 0.000 -2.730) 4.458 25.190 ( -4.387 0.000 7.453) 8.649 25.349 ( 2.164 0.000 -7.087) 7.410 25.706 ( 4.654 0.000 -5.081) 6.890 26.315 ( -15.915 0.000 -10.071) 18.834 26.503 ( 0.824 0.000 3.733) 3.823 26.723 ( 0.915 0.000 -5.455) 5.531 27.719 ( 9.654 0.000 1.832) 9.826 28.044 ( -5.836 0.000 5.599) 8.088 28.614 ( 1.965 0.000 0.306) 1.988 28.647 ( -0.801 0.000 2.149) 2.293 29.020 ( 5.940 0.000 -1.297) 6.080 29.237 ( -7.028 0.000 7.686) 10.415 ======================= Grid point 157 (75/104) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.714 22.254 23.935) 32.689 2.002 ( 1.854 21.552 12.214) 24.841 2.160 ( 0.029 18.406 -5.869) 19.319 2.691 ( 2.232 19.905 -26.255) 33.023 3.294 ( 1.193 23.888 45.381) 51.298 3.768 ( -1.802 2.512 -0.597) 3.149 3.942 ( -1.829 -6.995 11.932) 13.952 4.128 ( 2.314 1.639 -3.970) 4.879 4.169 ( -4.410 -4.145 6.912) 9.187 4.218 ( 0.594 -4.334 11.719) 12.509 4.413 ( -4.546 2.340 3.997) 6.490 4.587 ( 5.559 -0.914 -1.057) 5.732 4.630 ( 1.433 5.142 -4.605) 7.050 4.771 ( 4.882 8.369 -5.187) 10.990 4.913 ( -4.357 -3.529 0.485) 5.628 4.954 ( 2.621 -3.285 2.667) 4.977 5.150 ( -1.544 7.992 -3.776) 8.973 5.279 ( -7.042 2.510 -5.007) 8.998 5.351 ( -1.027 10.809 -22.689) 25.153 5.410 ( 1.102 -6.543 -4.395) 7.959 5.549 ( -4.644 1.344 -0.472) 4.858 5.671 ( 2.167 -4.439 -0.565) 4.971 5.871 ( -0.092 2.238 -2.480) 3.342 5.943 ( 2.110 7.243 -4.801) 8.942 6.179 ( 2.010 6.200 2.458) 6.966 6.234 ( -2.302 -1.145 0.900) 2.724 6.430 ( 5.220 6.865 -3.873) 9.454 6.506 ( -4.959 12.893 -7.969) 15.948 6.898 ( 9.065 3.925 2.090) 10.097 7.007 ( -9.226 -1.547 -7.957) 12.281 7.138 ( 0.068 5.167 1.505) 5.383 7.181 ( 0.272 5.355 -3.403) 6.351 7.477 ( -0.459 2.551 7.543) 7.976 7.561 ( 0.700 -4.790 3.026) 5.709 7.596 ( -1.086 -2.263 1.052) 2.721 7.655 ( -4.175 0.445 -5.888) 7.232 7.849 ( -3.043 0.987 4.500) 5.521 7.911 ( 3.797 -0.297 -0.182) 3.813 8.217 ( 5.731 -3.085 2.859) 7.109 8.274 ( -7.089 1.138 -3.101) 7.821 8.347 ( 0.543 -9.541 3.758) 10.269 8.454 ( -0.213 -3.000 -3.263) 4.438 8.772 ( 3.884 -1.015 5.838) 7.085 8.867 ( 10.560 -3.485 4.752) 12.093 8.885 ( -0.955 1.886 -3.362) 3.971 9.039 ( -11.771 -5.813 -8.482) 15.630 9.877 ( 1.511 -0.943 18.450) 18.536 10.191 ( 1.692 -7.623 -9.601) 12.375 10.820 ( 6.978 4.184 8.565) 11.814 11.038 ( -3.921 2.268 -10.240) 11.197 11.218 ( -2.061 6.483 7.963) 10.473 11.394 ( -1.130 8.727 -8.566) 12.280 11.876 ( 7.925 -4.847 8.372) 12.505 12.064 ( -10.080 -0.206 -7.414) 12.514 12.374 ( -2.406 2.811 4.453) 5.790 12.489 ( 8.240 4.035 -5.995) 10.960 14.174 ( 2.901 -0.456 1.858) 3.475 14.225 ( -7.083 0.934 -2.666) 7.625 14.585 ( -0.429 -10.177 4.798) 11.260 14.684 ( 1.120 -9.276 -3.542) 9.992 14.941 ( -1.564 -6.138 3.753) 7.362 15.033 ( -0.215 -8.882 -4.452) 9.938 15.211 ( 0.548 0.250 0.459) 0.757 15.225 ( -0.673 -0.840 -0.490) 1.183 15.395 ( 0.581 3.145 3.103) 4.456 15.490 ( 2.096 5.321 -5.659) 8.045 15.928 ( 0.659 -12.345 5.006) 13.337 15.999 ( -0.320 -10.976 -1.612) 11.099 24.577 ( 1.355 1.010 0.583) 1.788 24.601 ( -1.531 1.206 -1.501) 2.460 24.818 ( -2.459 0.715 2.558) 3.620 24.873 ( 2.482 0.494 -2.453) 3.524 25.190 ( -3.621 0.822 6.720) 7.678 25.333 ( 2.949 -0.380 -5.962) 6.663 25.799 ( -18.736 -2.263 2.049) 18.983 25.823 ( 10.112 -0.957 -0.453) 10.168 26.545 ( 0.760 0.662 5.408) 5.501 26.680 ( -0.422 0.315 -6.645) 6.666 27.403 ( 17.756 -28.960 16.421) 37.730 27.647 ( -11.741 -20.459 -7.069) 24.625 28.824 ( -0.544 8.671 6.524) 10.865 28.979 ( -0.906 6.456 -6.808) 9.426 29.344 ( -5.415 20.793 7.896) 22.892 29.614 ( 10.827 28.876 -17.860) 35.637 ======================= Grid point 158 (76/104) ======================= q-point: ( 0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 16.702 17.375 18.469) 30.364 2.102 ( 19.983 14.220 -23.588) 34.028 2.394 ( 7.927 22.935 24.361) 34.384 2.572 ( 11.566 20.298 -25.273) 34.417 3.663 ( 1.573 10.740 18.258) 21.241 3.677 ( -1.747 10.563 -8.190) 13.480 3.929 ( -6.251 -2.927 2.250) 7.260 4.026 ( -6.048 -2.673 -4.513) 8.006 4.185 ( -4.146 -1.327 5.318) 6.872 4.230 ( -3.389 -2.207 0.688) 4.103 4.433 ( -0.728 5.420 8.222) 9.874 4.592 ( -1.145 1.008 -0.695) 1.677 4.648 ( 5.126 -2.584 -6.783) 8.886 4.822 ( 5.868 5.838 -7.215) 10.981 4.965 ( 8.900 1.832 1.504) 9.211 5.006 ( -1.988 5.213 2.042) 5.941 5.154 ( 1.479 3.662 6.037) 7.215 5.200 ( 5.659 -0.873 -10.234) 11.727 5.269 ( 1.768 3.570 11.686) 12.346 5.431 ( -0.926 -2.789 1.837) 3.466 5.531 ( 2.985 5.837 -1.043) 6.639 5.709 ( -0.286 3.054 -0.126) 3.070 5.783 ( -2.186 4.727 -0.972) 5.298 5.945 ( 3.219 -2.558 -1.192) 4.281 6.143 ( -4.338 0.706 -0.046) 4.396 6.234 ( -7.542 11.866 -5.089) 14.953 6.316 ( 1.289 -0.832 1.844) 2.399 6.552 ( 4.769 12.364 1.208) 13.307 6.780 ( -7.846 0.518 -6.306) 10.079 7.066 ( -2.067 -0.112 4.211) 4.693 7.088 ( -3.512 5.211 -1.047) 6.371 7.158 ( 3.716 2.319 0.442) 4.402 7.422 ( -12.159 -3.084 8.047) 14.903 7.474 ( -5.542 -2.405 -1.131) 6.147 7.630 ( 4.902 -0.812 3.167) 5.893 7.694 ( 6.128 1.015 -1.936) 6.507 7.863 ( 1.288 0.936 -1.853) 2.443 7.923 ( -0.694 2.809 0.634) 2.962 8.204 ( 0.726 -3.953 -0.475) 4.047 8.344 ( 6.124 -0.080 2.544) 6.632 8.362 ( -1.387 -4.319 0.053) 4.536 8.535 ( 6.313 -7.459 1.578) 9.899 8.781 ( -4.568 0.955 -4.050) 6.180 8.814 ( 0.800 -5.258 -10.507) 11.776 8.873 ( 2.608 3.416 3.947) 5.835 9.175 ( 10.829 -5.146 6.607) 13.690 10.009 ( -2.602 -0.763 11.320) 11.640 10.085 ( -0.291 -8.564 -14.750) 17.058 10.814 ( -9.495 6.550 -12.151) 16.755 10.964 ( -0.760 4.665 7.740) 9.070 11.085 ( -11.660 3.957 4.139) 12.990 11.313 ( -6.537 8.870 -0.242) 11.021 11.753 ( -14.402 0.096 -7.392) 16.189 12.096 ( 0.793 -3.296 13.350) 13.774 12.328 ( 0.454 6.731 -3.027) 7.394 12.541 ( 5.443 -0.810 -7.705) 9.468 14.066 ( -5.620 0.641 2.310) 6.110 14.337 ( 5.674 2.275 2.442) 6.583 14.671 ( 5.217 -14.309 3.993) 15.745 14.720 ( 5.434 -11.072 -4.356) 13.080 14.976 ( 0.147 -7.166 6.076) 9.397 15.030 ( 4.030 -4.258 -3.254) 6.705 15.186 ( -2.225 -0.880 -1.154) 2.657 15.254 ( 3.345 0.506 0.814) 3.479 15.380 ( -0.533 4.334 -0.582) 4.405 15.568 ( 7.965 1.077 -2.824) 8.519 15.944 ( -1.971 -11.533 -0.726) 11.722 15.988 ( 0.482 -11.373 0.598) 11.399 24.554 ( -1.791 1.057 -0.937) 2.281 24.607 ( 0.546 0.853 1.327) 1.669 24.787 ( -3.157 0.717 2.059) 3.837 24.880 ( 0.632 0.313 -2.236) 2.345 25.195 ( -2.775 0.239 6.690) 7.247 25.335 ( 2.396 -1.582 -4.172) 5.064 25.602 ( -6.577 2.664 4.456) 8.379 26.090 ( 14.305 -3.567 5.536) 15.748 26.577 ( -1.211 -1.035 -2.282) 2.783 26.643 ( 0.715 1.806 1.352) 2.366 27.374 ( -5.165 -21.502 -13.341) 25.826 27.805 ( 13.823 -22.328 7.132) 27.212 28.851 ( -3.776 10.026 6.068) 12.312 28.894 ( -1.859 7.142 -4.151) 8.467 29.239 ( -10.285 24.457 3.957) 26.826 29.641 ( 6.869 17.180 -12.634) 22.404 ======================= Grid point 159 (77/104) ======================= q-point: ( 0.20 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 18.497 12.321 -16.771) 27.843 2.368 ( 16.508 13.850 -4.758) 22.067 2.588 ( 15.025 10.331 -16.024) 24.274 2.823 ( 11.692 23.427 21.967) 34.177 3.518 ( -6.128 14.380 -9.204) 18.139 3.662 ( -4.127 9.262 -7.551) 12.643 3.813 ( -9.504 -1.544 -0.931) 9.673 4.001 ( 5.769 2.799 2.153) 6.764 4.118 ( -3.851 -1.618 0.521) 4.209 4.161 ( -3.163 5.014 0.767) 5.978 4.425 ( -6.837 6.220 2.417) 9.554 4.591 ( 3.086 -5.200 -4.249) 7.391 4.738 ( 3.619 -2.693 3.868) 5.943 4.830 ( -1.673 2.973 6.591) 7.421 5.019 ( 2.068 4.264 2.496) 5.356 5.087 ( 7.146 3.317 -5.814) 9.792 5.172 ( -2.398 -3.799 -8.648) 9.746 5.264 ( 0.288 -2.887 11.650) 12.006 5.405 ( -1.841 9.109 -3.612) 9.970 5.507 ( 4.146 5.530 4.714) 8.366 5.633 ( 7.665 8.277 15.382) 19.076 5.754 ( 5.458 11.268 2.597) 12.787 5.774 ( 2.577 1.294 2.646) 3.914 5.916 ( -2.897 8.206 -11.756) 14.627 6.099 ( 0.172 -3.942 5.305) 6.612 6.174 ( -2.589 -1.750 3.400) 4.618 6.387 ( 3.237 -2.660 2.342) 4.800 6.510 ( -7.693 3.827 -2.896) 9.067 6.728 ( 5.148 3.632 1.571) 6.493 6.917 ( -4.470 0.092 0.483) 4.497 7.088 ( -2.113 1.331 2.943) 3.859 7.251 ( -5.671 1.373 5.712) 8.165 7.317 ( 1.650 2.103 4.904) 5.586 7.428 ( 2.266 -11.592 -1.603) 11.919 7.749 ( 3.985 0.296 -1.333) 4.212 7.819 ( 10.064 -1.284 1.033) 10.198 7.861 ( 2.714 1.916 -1.197) 3.531 7.962 ( 2.556 -0.049 0.626) 2.632 8.215 ( 0.409 -2.552 -2.773) 3.790 8.323 ( -1.077 -0.387 -2.578) 2.821 8.457 ( 1.993 -0.570 2.882) 3.550 8.575 ( -3.432 -1.348 -0.636) 3.742 8.680 ( 0.757 -7.140 -1.338) 7.304 8.891 ( 10.604 -1.451 -4.270) 11.523 8.948 ( 1.519 3.338 3.045) 4.767 9.289 ( -2.638 -2.849 1.397) 4.127 9.819 ( -6.252 -3.375 -21.351) 22.502 10.125 ( -2.202 -1.858 14.394) 14.679 10.501 ( -11.334 10.158 -10.594) 18.544 10.890 ( -9.508 3.831 -1.090) 10.309 10.944 ( -6.979 9.360 4.123) 12.382 11.217 ( -8.584 5.250 5.309) 11.376 11.436 ( -9.709 1.813 -5.286) 11.203 12.033 ( -13.537 0.968 5.918) 14.806 12.471 ( 11.672 0.828 0.291) 11.705 12.587 ( 7.578 -3.977 -6.286) 10.619 14.020 ( -3.718 1.635 4.875) 6.345 14.423 ( 2.597 2.553 2.160) 4.234 14.757 ( 2.813 -11.423 -3.870) 12.385 14.807 ( 5.199 -15.047 2.715) 16.150 15.026 ( -2.193 -5.855 6.904) 9.314 15.046 ( -0.337 -1.456 -7.125) 7.280 15.151 ( 1.444 -1.064 -0.160) 1.801 15.361 ( 5.681 1.055 0.537) 5.803 15.440 ( 7.504 0.493 2.526) 7.933 15.680 ( 6.357 -2.963 -2.582) 7.474 15.883 ( -1.925 -10.090 -3.516) 10.856 15.993 ( -0.368 -10.362 -0.367) 10.375 24.523 ( -0.785 1.022 -0.312) 1.326 24.623 ( -0.395 0.621 1.963) 2.097 24.743 ( -3.249 0.579 1.318) 3.553 24.853 ( -1.511 0.421 -1.966) 2.515 25.200 ( -4.186 -0.098 7.697) 8.762 25.352 ( 3.694 -2.403 -4.107) 6.024 25.590 ( -0.098 2.981 3.833) 4.857 26.285 ( -2.932 -6.246 0.465) 6.915 26.535 ( 3.125 0.086 -1.003) 3.283 26.711 ( 5.483 1.348 3.144) 6.463 27.306 ( 9.431 -18.879 -9.262) 23.047 28.053 ( 8.693 -14.336 2.841) 17.005 28.775 ( -3.414 5.113 -3.634) 7.142 28.859 ( -5.720 16.150 6.656) 18.381 29.101 ( -6.769 18.261 2.453) 19.629 29.622 ( 2.301 11.051 -9.389) 14.682 ======================= Grid point 160 (78/104) ======================= q-point: ( 0.30 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 11.353 10.722 -18.025) 23.849 2.574 ( 17.675 11.482 -7.154) 22.258 2.819 ( 14.816 4.262 -4.166) 15.970 3.128 ( 0.353 22.264 10.879) 24.782 3.327 ( -6.079 9.060 -4.478) 11.794 3.491 ( -7.060 14.076 -0.386) 15.752 3.621 ( -9.016 2.585 1.880) 9.566 3.951 ( -8.756 -0.358 -3.113) 9.300 4.107 ( -1.930 9.003 -0.580) 9.225 4.224 ( 6.304 9.873 2.129) 11.906 4.393 ( 3.547 -1.761 1.267) 4.158 4.584 ( 1.927 -2.167 -5.096) 5.863 4.756 ( -4.808 4.240 -3.367) 7.240 4.902 ( -9.127 -5.728 2.922) 11.165 4.978 ( 2.261 2.697 13.105) 13.569 5.096 ( 3.879 7.327 -5.809) 10.123 5.145 ( -2.551 -6.841 -0.134) 7.302 5.277 ( -2.555 14.292 -2.965) 14.819 5.435 ( 0.497 3.235 9.245) 9.807 5.593 ( 7.416 -2.502 0.404) 7.837 5.642 ( -8.828 15.081 -2.423) 17.641 5.884 ( 0.629 0.447 1.534) 1.717 5.916 ( 2.012 3.960 1.678) 4.749 5.935 ( -2.940 1.449 8.466) 9.078 6.083 ( 6.390 -1.495 11.290) 13.059 6.272 ( 9.546 3.552 -0.743) 10.212 6.351 ( 4.772 2.189 -7.704) 9.322 6.534 ( 5.320 -1.447 2.597) 6.094 6.820 ( 0.684 -0.669 0.704) 1.188 6.925 ( 0.840 -4.468 4.592) 6.461 7.115 ( 2.730 -2.855 3.179) 5.070 7.255 ( 2.200 -2.208 5.603) 6.411 7.390 ( 5.764 -4.449 -2.772) 7.791 7.548 ( 7.292 -4.481 2.867) 9.026 7.803 ( 4.421 1.794 -2.464) 5.370 7.884 ( 4.712 3.583 -6.054) 8.466 7.989 ( 3.410 -4.419 -2.004) 5.930 8.041 ( 3.234 -2.231 0.577) 3.971 8.165 ( 2.450 -0.373 -1.674) 2.991 8.296 ( 2.124 1.660 -6.237) 6.795 8.431 ( -7.247 2.915 -1.400) 7.935 8.515 ( 0.283 -0.258 5.752) 5.765 8.737 ( 0.799 -5.494 0.488) 5.573 8.965 ( 0.941 -4.237 -3.400) 5.513 9.012 ( 0.768 3.008 4.365) 5.356 9.182 ( -7.176 0.258 -0.786) 7.223 9.496 ( -8.422 2.749 -14.474) 16.970 9.988 ( -20.126 5.024 0.866) 20.762 10.397 ( 2.708 2.439 1.518) 3.948 10.762 ( -0.849 5.859 -3.003) 6.638 10.873 ( -5.421 9.176 2.015) 10.846 10.990 ( -13.845 2.960 1.499) 14.237 11.388 ( 0.313 2.998 3.946) 4.965 11.816 ( -12.836 2.545 1.539) 13.176 12.637 ( 8.612 -5.685 -3.649) 10.945 12.713 ( 7.928 -1.077 -0.082) 8.001 14.009 ( -3.371 2.711 6.566) 7.863 14.495 ( 2.634 2.715 2.606) 4.593 14.735 ( -1.407 -7.409 -5.393) 9.272 14.896 ( 2.281 -9.289 -0.729) 9.593 14.944 ( 0.687 -4.054 -4.766) 6.294 15.053 ( -1.896 -9.005 5.304) 10.621 15.208 ( 3.676 -1.616 1.821) 4.409 15.460 ( 3.925 -0.172 2.525) 4.671 15.608 ( 6.895 -3.719 0.215) 7.837 15.726 ( 1.246 -9.040 -3.162) 9.658 15.831 ( 0.282 -5.160 -3.386) 6.178 15.969 ( -0.201 -7.704 -3.160) 8.329 24.523 ( 0.848 0.945 0.238) 1.291 24.631 ( -0.772 0.450 2.252) 2.423 24.695 ( -2.888 0.513 0.402) 2.961 24.795 ( -2.856 0.816 -1.525) 3.339 25.191 ( -5.047 -0.111 8.986) 10.307 25.382 ( 4.795 -2.143 -6.570) 8.412 25.642 ( 0.695 0.408 5.302) 5.363 26.114 ( -7.100 -4.912 -6.600) 10.867 26.624 ( 5.145 -1.317 0.515) 5.336 26.866 ( 6.464 6.728 1.758) 9.494 27.472 ( 11.040 -19.068 0.702) 22.044 28.177 ( 3.661 -7.750 -0.631) 8.594 28.692 ( -1.638 5.547 -3.648) 6.838 28.782 ( -7.502 19.311 3.900) 21.081 29.065 ( -2.316 8.638 6.944) 11.322 29.561 ( 0.623 6.667 -8.921) 11.154 ======================= Grid point 161 (79/104) ======================= q-point: ( 0.40 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 13.907 9.684 -7.389) 18.487 2.811 ( 11.182 9.286 -0.945) 14.565 2.940 ( -0.582 5.909 -2.100) 6.298 3.083 ( -12.698 9.242 -0.516) 15.714 3.201 ( 6.369 11.462 -0.952) 13.147 3.426 ( -2.792 12.718 3.371) 13.450 3.612 ( 0.061 8.291 4.779) 9.570 3.851 ( -1.881 6.291 5.171) 8.358 4.029 ( -0.613 9.038 -5.615) 10.658 4.280 ( -2.337 2.457 -2.231) 4.059 4.432 ( -0.552 -0.149 0.309) 0.650 4.548 ( -5.193 2.782 -12.333) 13.668 4.606 ( 0.086 2.706 -0.876) 2.846 4.814 ( -7.054 3.170 8.024) 11.144 4.941 ( -5.890 0.539 -3.082) 6.669 5.073 ( -4.564 -2.879 2.086) 5.785 5.213 ( 2.826 12.622 4.459) 13.682 5.266 ( 3.166 5.224 -1.523) 6.295 5.456 ( -2.667 -6.100 3.935) 7.733 5.478 ( -6.332 13.588 -2.709) 15.234 5.669 ( 1.760 2.868 6.640) 7.444 5.863 ( -3.203 2.991 5.638) 7.141 5.982 ( 2.629 8.260 -0.230) 8.672 6.051 ( 0.985 -7.901 18.293) 19.951 6.265 ( 1.602 7.488 -6.020) 9.740 6.368 ( 6.096 0.383 13.125) 14.477 6.562 ( 11.301 -3.953 -3.942) 12.605 6.664 ( 12.508 -1.804 -4.993) 13.588 6.789 ( -0.624 -0.938 -5.000) 5.126 6.996 ( 0.978 -7.814 5.978) 9.887 7.180 ( 3.287 -3.192 -6.150) 7.669 7.397 ( 10.897 -6.887 0.486) 12.900 7.534 ( 7.416 -9.236 3.575) 12.372 7.586 ( -2.278 1.126 -7.879) 8.278 7.875 ( 1.438 2.596 -2.060) 3.613 7.913 ( 9.689 4.252 -1.563) 10.696 8.001 ( 1.165 -1.845 -3.802) 4.384 8.054 ( 2.157 -5.596 0.763) 6.046 8.217 ( -3.076 3.496 -3.930) 6.093 8.237 ( -2.296 2.667 -7.590) 8.367 8.411 ( 5.063 -1.186 5.829) 7.811 8.591 ( 1.017 1.192 7.828) 7.984 8.666 ( -5.824 -3.694 -4.128) 8.037 8.883 ( -3.620 2.847 -5.439) 7.126 9.001 ( -8.477 4.407 -3.458) 10.161 9.055 ( -1.861 5.704 5.802) 8.347 9.349 ( -0.671 0.306 -0.777) 1.071 9.618 ( -17.236 1.028 -2.098) 17.393 10.433 ( 0.491 2.363 0.010) 2.414 10.662 ( -7.985 6.297 -5.124) 11.387 10.838 ( 4.187 3.999 1.140) 5.901 10.898 ( -3.566 5.738 5.748) 8.871 11.440 ( 0.665 4.191 4.647) 6.293 11.628 ( -8.005 3.681 0.311) 8.816 12.747 ( 6.416 -6.479 -2.447) 9.441 12.816 ( 3.411 -2.027 -0.747) 4.038 14.024 ( -2.251 4.014 8.244) 9.442 14.483 ( -3.668 5.639 -7.249) 9.890 14.690 ( 1.879 -5.769 1.467) 6.242 14.885 ( 0.835 -3.458 -3.014) 4.662 15.002 ( 5.140 -11.189 -1.238) 12.375 15.055 ( -2.981 -9.912 4.608) 11.330 15.317 ( 4.728 -3.014 4.632) 7.273 15.536 ( 0.869 -4.826 3.712) 6.150 15.656 ( 0.147 -5.788 -3.559) 6.796 15.703 ( 0.700 -9.872 -3.823) 10.609 15.820 ( 0.606 -3.303 -1.212) 3.570 15.933 ( 0.443 -3.146 -5.308) 6.187 24.556 ( 2.242 0.665 0.310) 2.359 24.628 ( -2.647 -0.114 2.480) 3.629 24.659 ( -0.088 1.172 -0.538) 1.292 24.730 ( -2.721 1.182 -0.985) 3.126 25.185 ( -5.263 -0.149 9.998) 11.300 25.403 ( 5.057 -2.014 -8.426) 10.031 25.700 ( -0.415 -1.755 6.380) 6.630 25.967 ( -2.353 -3.846 -6.399) 7.827 26.725 ( 4.542 -0.320 1.836) 4.909 26.939 ( 1.784 7.560 -2.312) 8.105 27.680 ( 7.917 -15.431 6.302) 18.453 28.171 ( -1.610 -4.553 -4.606) 6.674 28.655 ( 0.734 8.216 -2.686) 8.675 28.688 ( -5.345 15.573 2.004) 16.587 29.116 ( -1.566 4.884 10.226) 11.440 29.489 ( 1.395 3.063 -10.060) 10.608 ======================= Grid point 162 (80/104) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -6.288 6.160 2.897) 9.267 2.742 ( -2.837 11.040 -4.709) 12.333 2.912 ( 2.344 10.012 0.560) 10.298 3.030 ( 9.103 9.539 -4.602) 13.966 3.288 ( -9.347 10.034 10.135) 17.052 3.502 ( 12.801 12.425 -7.324) 19.284 3.666 ( 2.851 3.793 6.171) 7.784 3.872 ( 2.521 5.439 -6.433) 8.793 4.013 ( -0.398 8.195 3.400) 8.881 4.169 ( -6.779 2.426 -0.856) 7.250 4.341 ( -5.601 2.886 -4.696) 7.858 4.425 ( 1.535 1.659 -4.929) 5.423 4.581 ( -2.343 1.848 6.231) 6.908 4.749 ( -0.412 6.980 -2.985) 7.603 4.920 ( -1.959 -3.241 6.143) 7.216 4.965 ( -6.047 2.085 1.266) 6.520 5.295 ( 2.102 9.068 1.669) 9.457 5.323 ( 1.518 4.254 3.531) 5.733 5.382 ( -1.633 15.206 -1.004) 15.326 5.482 ( 7.702 -0.826 -8.820) 11.738 5.776 ( -6.910 1.156 10.476) 12.603 5.856 ( 4.045 1.599 8.844) 9.855 5.988 ( -4.063 7.015 4.332) 9.191 6.199 ( 2.189 11.270 -9.688) 15.022 6.265 ( 0.314 -11.527 16.256) 19.931 6.522 ( -1.330 -0.999 0.881) 1.882 6.611 ( 2.496 -8.705 -2.072) 9.290 6.710 ( -0.952 -5.057 -7.415) 9.026 6.864 ( 4.850 0.060 5.150) 7.075 7.009 ( -8.265 -6.625 3.605) 11.189 7.172 ( 9.049 1.526 -7.022) 11.555 7.372 ( -2.702 -1.937 -14.830) 15.199 7.658 ( 6.043 -7.862 2.470) 10.219 7.678 ( 2.615 -6.247 0.805) 6.820 7.838 ( -3.763 -1.259 -1.811) 4.362 7.902 ( -4.456 -5.635 -6.537) 9.713 8.039 ( -1.374 3.822 4.757) 6.255 8.101 ( -0.485 8.077 0.660) 8.118 8.106 ( -0.236 1.118 0.660) 1.319 8.192 ( 1.422 -1.462 -3.637) 4.170 8.470 ( -2.475 -1.422 2.189) 3.597 8.535 ( -2.013 0.759 -3.420) 4.041 8.692 ( 0.326 1.642 7.134) 7.327 8.821 ( 0.860 3.997 -3.998) 5.718 8.936 ( 7.632 6.595 0.830) 10.121 9.013 ( -4.769 4.599 -4.169) 7.828 9.372 ( 1.928 -2.050 3.303) 4.340 9.422 ( -1.759 1.661 -1.236) 2.716 10.450 ( 0.873 4.013 1.650) 4.426 10.518 ( -1.787 4.246 -4.618) 6.523 10.885 ( -2.745 3.609 3.129) 5.509 10.937 ( 5.824 5.517 -1.125) 8.101 11.498 ( 1.244 4.189 3.978) 5.909 11.539 ( -2.122 4.814 -0.046) 5.261 12.804 ( -0.648 -3.686 -0.299) 3.755 12.833 ( 1.864 -5.829 -2.627) 6.660 14.089 ( -0.271 5.272 10.911) 12.120 14.326 ( -2.622 4.997 -10.236) 11.689 14.763 ( 1.419 -4.725 4.515) 6.687 14.863 ( -0.098 -3.970 -4.213) 5.790 15.024 ( -4.058 -10.382 3.235) 11.607 15.085 ( 5.100 -10.757 -1.943) 12.063 15.446 ( 3.190 -3.843 6.026) 7.827 15.563 ( -1.262 -8.851 3.726) 9.686 15.579 ( -4.181 -5.871 -3.898) 8.194 15.685 ( 2.069 -9.710 -4.882) 11.064 15.827 ( 0.224 -1.629 0.503) 1.719 15.882 ( -0.957 -0.475 -4.677) 4.798 24.588 ( -2.013 0.132 1.394) 2.452 24.609 ( 2.370 0.397 -0.550) 2.465 24.664 ( -1.193 1.013 1.244) 1.999 24.694 ( 1.094 1.506 -1.467) 2.370 25.184 ( -5.393 -0.274 10.643) 11.935 25.409 ( 4.520 -2.061 -9.191) 10.447 25.746 ( -1.115 -2.775 6.811) 7.438 25.901 ( 1.130 -3.570 -6.447) 7.456 26.814 ( 2.189 2.054 3.576) 4.668 26.896 ( -3.054 4.741 -3.694) 6.742 27.872 ( 5.280 -9.508 8.406) 13.746 28.048 ( -5.090 -6.758 -7.398) 11.239 28.629 ( -2.932 11.738 1.552) 12.198 28.668 ( 3.088 11.662 -2.096) 12.245 29.179 ( -2.853 3.809 11.215) 12.183 29.436 ( 4.234 1.772 -11.830) 12.689 ======================= Grid point 163 (81/104) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -22.030 12.333 2.491) 25.370 2.775 ( -4.430 10.579 3.462) 11.980 2.954 ( -19.734 8.984 3.395) 21.947 3.086 ( 15.896 6.038 -4.383) 17.560 3.215 ( 5.590 15.164 -5.459) 17.058 3.637 ( 9.178 11.364 -9.576) 17.467 3.801 ( 2.290 0.896 -10.992) 11.263 3.866 ( 9.213 3.829 4.370) 10.893 3.994 ( -8.692 9.427 -0.260) 12.826 4.073 ( -3.669 3.428 9.826) 11.035 4.302 ( -1.281 -0.969 7.509) 7.679 4.451 ( 6.853 2.745 -3.315) 8.093 4.702 ( 5.416 -0.342 12.868) 13.966 4.717 ( -0.987 7.027 -7.860) 10.589 4.876 ( -2.415 5.481 3.037) 6.716 4.976 ( -2.599 2.458 10.304) 10.907 5.304 ( -1.594 21.783 -1.042) 21.866 5.359 ( 6.346 0.479 -4.562) 7.830 5.405 ( 2.300 0.534 0.696) 2.462 5.556 ( 6.684 -1.700 -8.383) 10.856 5.719 ( -7.611 2.286 8.864) 11.904 5.937 ( -4.085 8.321 2.323) 9.556 6.016 ( 0.476 -0.337 2.199) 2.275 6.154 ( 2.618 3.741 -3.915) 6.015 6.233 ( -17.641 -5.561 4.017) 18.927 6.464 ( -5.408 1.705 1.749) 5.934 6.530 ( 3.370 -3.813 -2.515) 5.676 6.749 ( 1.320 -2.223 -2.681) 3.725 6.764 ( -5.108 -7.175 -8.131) 11.987 7.027 ( 0.010 -3.220 9.228) 9.774 7.209 ( 0.156 -3.506 -13.465) 13.915 7.339 ( 5.914 -0.160 3.164) 6.709 7.462 ( -9.174 -5.928 0.645) 10.942 7.613 ( -6.855 -5.427 -4.342) 9.762 7.793 ( -4.824 1.066 2.058) 5.352 7.935 ( -4.584 2.150 -1.996) 5.442 7.975 ( -8.394 2.676 -0.959) 8.862 8.043 ( -0.400 -7.026 6.555) 9.618 8.110 ( -2.821 3.747 2.605) 5.365 8.164 ( 2.167 2.589 -1.412) 3.659 8.483 ( -3.705 -1.758 -1.141) 4.257 8.551 ( 5.652 -3.136 6.075) 8.871 8.712 ( -1.413 0.882 0.258) 1.686 8.812 ( 2.815 0.346 -1.797) 3.358 8.971 ( 4.429 10.520 -1.066) 11.464 9.141 ( 8.882 1.577 -2.169) 9.278 9.394 ( -0.415 4.401 -4.228) 6.117 9.554 ( 15.468 -1.039 3.646) 15.926 10.446 ( 0.168 2.189 -0.969) 2.400 10.579 ( 7.852 7.958 1.534) 11.284 10.853 ( -1.816 0.733 -0.130) 1.962 11.026 ( 6.684 7.089 -4.723) 10.827 11.502 ( -0.981 4.163 -0.845) 4.360 11.599 ( 5.809 4.100 3.132) 7.769 12.722 ( -6.633 -3.933 -0.509) 7.728 12.833 ( -0.573 -5.714 -2.116) 6.120 14.177 ( -0.772 2.914 1.638) 3.431 14.265 ( 3.632 6.719 3.469) 8.389 14.784 ( -2.999 -5.306 -4.091) 7.341 14.816 ( -0.118 -3.716 1.923) 4.186 14.967 ( -4.605 -11.980 1.906) 12.976 15.149 ( 4.535 -9.295 -3.360) 10.875 15.425 ( -6.254 -5.559 -4.042) 9.293 15.542 ( 0.429 -6.453 3.474) 7.342 15.586 ( -1.140 -7.073 5.516) 9.042 15.666 ( -0.360 -4.938 -4.664) 6.802 15.812 ( -2.468 0.787 -0.140) 2.594 15.852 ( 1.110 -5.971 0.738) 6.118 24.558 ( -1.651 0.603 0.195) 1.769 24.640 ( -0.724 1.695 1.214) 2.206 24.666 ( 2.801 -0.837 -0.699) 3.006 24.729 ( 3.212 1.733 -1.058) 3.800 25.185 ( -5.278 -0.382 10.691) 11.929 25.399 ( 3.597 -1.980 -8.820) 9.729 25.796 ( -0.404 -3.539 7.801) 8.576 25.869 ( 1.993 -3.394 -7.597) 8.555 26.778 ( -5.956 1.921 -2.875) 6.887 26.863 ( -0.971 5.099 4.288) 6.733 27.842 ( -8.426 -12.133 -7.378) 16.512 28.035 ( 2.866 -7.344 7.072) 10.591 28.606 ( -1.134 8.452 1.605) 8.677 28.730 ( 5.618 15.513 -1.696) 16.586 29.207 ( -3.667 1.823 7.484) 8.530 29.436 ( 7.056 6.470 -10.416) 14.147 ======================= Grid point 164 (82/104) ======================= q-point: (-0.30 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -22.221 14.931 13.405) 29.940 2.449 ( -28.753 16.097 4.098) 33.205 2.802 ( -2.279 5.051 -0.522) 5.566 3.246 ( 2.929 18.019 -4.158) 18.723 3.310 ( 8.645 4.877 -3.980) 10.694 3.618 ( -6.957 23.289 -5.402) 24.899 3.777 ( 10.483 0.840 -9.928) 14.463 3.833 ( -5.693 2.179 3.988) 7.284 4.019 ( -7.539 3.346 6.451) 10.472 4.138 ( 7.998 7.731 7.175) 13.237 4.377 ( 0.502 -2.891 3.632) 4.669 4.545 ( -2.838 2.470 -1.875) 4.204 4.661 ( 7.856 5.098 4.265) 10.291 4.832 ( -1.792 2.249 5.983) 6.638 4.981 ( 3.771 1.723 8.952) 9.866 5.014 ( -1.227 -6.215 3.373) 7.177 5.248 ( -0.710 16.762 -5.215) 17.569 5.335 ( -4.322 -0.944 -10.254) 11.168 5.480 ( 6.062 10.671 7.252) 14.256 5.623 ( -0.380 3.426 -0.064) 3.448 5.655 ( -2.884 -0.011 1.405) 3.208 5.824 ( -16.475 -6.208 0.761) 17.622 5.895 ( -2.780 0.745 5.529) 6.233 6.034 ( -1.560 4.988 -5.222) 7.388 6.174 ( 2.174 0.655 0.614) 2.352 6.368 ( -2.265 8.384 -5.263) 10.155 6.525 ( -3.643 -1.538 -14.439) 14.971 6.682 ( 7.682 -4.924 -9.587) 13.235 6.771 ( 4.806 1.501 2.633) 5.682 7.099 ( 0.126 -2.265 5.270) 5.737 7.115 ( -1.950 -7.999 -10.609) 13.429 7.301 ( -0.482 -6.116 -1.373) 6.286 7.420 ( -5.720 -5.495 -0.647) 7.958 7.616 ( 3.690 -4.351 -1.736) 5.963 7.661 ( -8.416 3.482 4.427) 10.127 7.780 ( -4.556 -0.136 4.043) 6.093 7.886 ( -3.387 6.117 3.136) 7.663 8.045 ( -2.974 -1.173 -0.876) 3.315 8.089 ( -3.094 -2.745 8.121) 9.113 8.176 ( -4.835 -1.450 3.191) 5.972 8.446 ( 4.195 1.272 -2.651) 5.123 8.647 ( -1.622 -0.739 -2.263) 2.881 8.726 ( 4.070 -3.151 1.464) 5.352 8.860 ( 0.444 -3.202 3.615) 4.850 9.071 ( 3.170 6.340 0.570) 7.111 9.171 ( -3.395 -0.046 2.488) 4.209 9.341 ( 1.671 5.591 -4.336) 7.270 9.939 ( 20.239 6.054 2.945) 21.329 10.465 ( 2.857 -0.975 -3.000) 4.256 10.710 ( 1.528 7.414 1.525) 7.722 10.882 ( 8.387 4.573 -0.798) 9.586 11.114 ( 10.609 6.013 -7.088) 14.105 11.464 ( -1.705 2.899 -2.372) 4.115 11.792 ( 11.529 3.804 3.713) 12.695 12.573 ( -9.348 -4.980 0.914) 10.631 12.761 ( -4.598 -4.334 -3.554) 7.250 14.148 ( 1.511 1.575 -5.552) 5.965 14.441 ( 4.427 5.772 11.994) 14.027 14.662 ( -4.660 -6.379 -4.263) 8.977 14.829 ( -1.662 -2.866 3.492) 4.813 14.904 ( -3.260 -13.307 0.595) 13.714 15.183 ( 3.338 -7.065 -5.008) 9.281 15.276 ( -5.259 -5.683 -3.921) 8.679 15.528 ( -4.175 -0.244 -3.488) 5.446 15.564 ( -4.996 -2.445 3.917) 6.803 15.648 ( -0.264 -10.290 3.724) 10.947 15.763 ( -3.287 0.698 1.792) 3.808 15.908 ( 2.861 -9.730 1.893) 10.317 24.535 ( -0.515 1.048 -0.692) 1.357 24.640 ( -0.283 1.055 1.088) 1.542 24.720 ( 3.520 -0.449 -0.691) 3.615 24.780 ( 3.171 1.714 -0.907) 3.717 25.189 ( -4.709 -0.285 9.983) 11.041 25.381 ( 3.030 -1.696 -7.831) 8.567 25.809 ( 0.434 -2.752 -8.475) 8.921 25.906 ( 2.623 -4.692 11.332) 12.543 26.643 ( -6.221 -0.150 -1.367) 6.371 26.857 ( -3.186 6.858 2.535) 7.975 27.578 ( -13.282 -21.285 -8.159) 26.382 28.106 ( -2.147 -7.699 5.770) 9.858 28.621 ( 0.756 5.992 2.484) 6.531 28.843 ( 8.273 18.905 -1.272) 20.675 29.191 ( -1.542 1.762 0.230) 2.353 29.490 ( 7.238 15.360 -6.888) 18.323 ======================= Grid point 165 (83/104) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -18.472 16.116 25.903) 35.664 1.990 ( -28.112 17.778 13.710) 35.977 2.694 ( -5.878 7.628 -9.633) 13.621 3.122 ( -23.520 34.195 16.666) 44.724 3.244 ( -4.639 12.806 -13.659) 19.290 3.550 ( 4.342 11.244 1.489) 12.144 3.851 ( -2.488 -2.171 11.818) 12.271 3.935 ( -4.509 2.983 8.335) 9.935 3.939 ( 11.434 2.329 -4.785) 12.612 4.259 ( -3.215 5.492 -4.924) 8.047 4.346 ( 2.949 -0.949 7.049) 7.700 4.585 ( 5.896 -5.130 -1.454) 7.949 4.766 ( -6.669 7.596 9.138) 13.626 4.901 ( -5.368 -5.075 -8.694) 11.409 4.929 ( -7.204 -1.577 6.199) 9.634 4.993 ( 4.307 -5.895 6.947) 10.077 5.182 ( -0.928 2.046 -7.519) 7.847 5.323 ( 3.618 10.460 -1.074) 11.120 5.476 ( -0.375 10.002 -4.946) 11.164 5.589 ( -9.399 -0.471 5.882) 11.098 5.643 ( 0.467 4.960 7.700) 9.171 5.743 ( 5.036 6.802 2.923) 8.953 5.801 ( -0.483 -2.097 -6.371) 6.725 6.161 ( 8.560 5.866 -5.683) 11.831 6.216 ( -3.351 -1.694 -6.969) 7.917 6.277 ( -0.451 3.426 -18.779) 19.094 6.358 ( 6.187 1.949 3.287) 7.272 6.675 ( 2.400 2.158 -10.075) 10.579 6.866 ( -4.326 1.118 -9.095) 10.133 6.935 ( 2.771 -0.087 -3.993) 4.861 7.127 ( 1.833 -0.524 -0.889) 2.104 7.326 ( 1.724 -5.636 3.358) 6.783 7.385 ( 3.072 -3.685 -4.617) 6.658 7.502 ( -4.098 -2.665 -7.497) 8.950 7.626 ( -1.813 -3.178 6.410) 7.381 7.750 ( -4.749 3.018 1.107) 5.734 7.919 ( -2.900 -1.247 1.472) 3.483 8.013 ( -2.221 -3.681 -0.297) 4.309 8.103 ( -4.010 -5.678 8.481) 10.966 8.152 ( 3.858 1.742 5.963) 7.313 8.544 ( -0.630 1.923 -2.565) 3.267 8.562 ( 3.370 -0.507 -1.816) 3.862 8.730 ( -2.397 -4.846 -2.842) 6.108 8.827 ( -10.652 -4.901 2.257) 11.941 9.007 ( -2.762 2.182 -1.240) 3.732 9.250 ( 3.953 -1.783 6.531) 7.840 9.406 ( 2.220 6.710 11.008) 13.081 10.290 ( 14.253 12.430 5.083) 19.583 10.398 ( -4.709 -4.437 -8.392) 10.597 10.822 ( 10.878 2.606 2.901) 11.556 11.050 ( 10.718 14.872 -3.571) 18.676 11.328 ( 17.694 0.945 -4.188) 18.207 11.401 ( -2.363 1.343 -1.928) 3.333 12.057 ( 13.154 4.458 3.126) 14.237 12.419 ( -9.391 -6.315 3.771) 11.929 12.600 ( -7.834 -2.733 -6.245) 10.384 14.129 ( 1.472 1.054 -4.964) 5.284 14.499 ( -1.889 2.182 -4.834) 5.630 14.630 ( -2.798 -11.554 8.868) 14.831 14.842 ( -3.240 -9.891 2.102) 10.619 14.873 ( 1.330 -1.805 5.126) 5.594 15.173 ( -2.352 -1.987 -1.832) 3.583 15.184 ( 2.214 -8.671 -6.551) 11.091 15.391 ( -6.888 2.390 -2.831) 7.821 15.464 ( -7.887 -0.833 0.779) 7.969 15.638 ( -3.763 -1.973 1.029) 4.372 15.774 ( 0.913 -8.387 5.550) 10.098 15.971 ( 2.056 -10.399 1.383) 10.690 24.529 ( 0.753 1.222 -0.841) 1.664 24.645 ( 0.012 0.957 0.111) 0.964 24.776 ( 3.120 -0.159 -0.405) 3.150 24.822 ( 2.036 1.480 -0.465) 2.559 25.196 ( -4.034 0.115 8.571) 9.474 25.364 ( 2.558 -1.197 -7.021) 7.568 25.732 ( 0.238 -0.602 -7.685) 7.713 26.139 ( 9.569 -8.477 14.688) 19.472 26.537 ( -4.708 -0.742 -0.067) 4.766 26.790 ( -4.461 3.179 -3.132) 6.310 27.195 ( -22.166 -26.160 -1.928) 34.342 28.056 ( -7.427 -11.523 2.678) 13.968 28.679 ( 2.189 5.346 3.830) 6.931 28.993 ( 8.378 16.354 -1.532) 18.439 29.173 ( 2.385 9.833 -3.647) 10.756 29.557 ( 6.810 25.041 -7.123) 26.910 ======================= Grid point 166 (84/104) ======================= q-point: (-0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -22.635 20.056 21.481) 37.095 1.862 ( -11.004 21.060 30.134) 38.376 2.423 ( -9.538 11.586 -17.337) 22.930 2.895 ( -9.996 25.915 4.493) 28.137 3.036 ( -11.670 27.516 14.538) 33.237 3.686 ( 4.371 4.524 8.384) 10.482 3.897 ( -4.105 -5.406 10.213) 12.263 4.012 ( 5.638 -4.976 5.241) 9.166 4.089 ( 5.143 3.454 2.046) 6.524 4.209 ( -1.534 2.792 2.863) 4.282 4.444 ( -1.495 -3.601 7.672) 8.606 4.595 ( -8.130 -4.755 -4.403) 10.397 4.684 ( 5.290 0.828 -1.478) 5.555 4.709 ( -6.967 7.040 4.138) 10.734 4.898 ( -2.739 4.509 -1.210) 5.413 5.059 ( -4.170 -5.638 0.746) 7.052 5.126 ( 6.587 1.803 -5.839) 8.985 5.360 ( -1.543 3.198 -0.747) 3.629 5.482 ( 2.053 11.705 -6.506) 13.548 5.551 ( -4.112 1.800 8.363) 9.492 5.723 ( -2.251 -11.652 -7.688) 14.140 5.756 ( 9.969 -4.542 -3.872) 11.619 5.807 ( -7.437 5.849 -20.522) 22.598 5.934 ( 2.829 12.378 -7.263) 14.628 6.076 ( 0.731 8.361 -1.665) 8.557 6.338 ( -1.821 3.207 0.213) 3.694 6.410 ( 2.288 -4.469 -9.689) 10.913 6.635 ( -0.791 14.357 -6.429) 15.751 6.735 ( 6.436 4.728 -3.641) 8.777 7.060 ( 7.773 4.838 -0.003) 9.155 7.163 ( 3.562 1.124 -2.780) 4.656 7.259 ( -7.824 -2.765 -8.868) 12.145 7.391 ( 1.291 1.364 4.811) 5.165 7.510 ( 3.219 -6.768 2.212) 7.814 7.643 ( -4.116 -0.752 -0.684) 4.240 7.687 ( 2.023 -2.522 0.428) 3.261 7.860 ( -1.009 -0.101 -0.089) 1.018 7.935 ( -4.234 -0.016 -2.402) 4.868 8.122 ( -1.111 -6.317 6.988) 9.485 8.301 ( 3.000 -4.541 4.754) 7.227 8.424 ( -4.784 2.175 -3.615) 6.379 8.584 ( -13.940 -2.679 3.952) 14.735 8.647 ( 3.412 -8.407 -2.611) 9.441 8.715 ( 3.726 0.837 1.670) 4.168 8.953 ( -1.943 3.962 -2.900) 5.280 9.283 ( -5.579 -4.747 -2.358) 7.695 9.628 ( 4.254 1.231 21.247) 21.703 10.247 ( -1.823 -5.340 -6.479) 8.592 10.576 ( 10.627 9.525 8.369) 16.544 11.054 ( 8.956 0.222 3.798) 9.730 11.160 ( 3.298 9.573 -7.790) 12.775 11.399 ( 7.899 10.063 -5.296) 13.846 11.627 ( 14.150 -3.520 1.995) 14.717 12.253 ( -2.469 3.242 3.113) 5.128 12.344 ( 0.968 -2.462 4.603) 5.309 12.408 ( -1.511 -1.321 -8.061) 8.307 14.117 ( 1.734 0.437 -2.589) 3.146 14.409 ( -4.375 0.927 -4.268) 6.182 14.606 ( -6.142 -13.443 5.766) 15.864 14.750 ( -4.716 -9.371 -2.469) 10.778 14.954 ( -1.674 -2.954 4.605) 5.722 15.102 ( -2.300 -10.580 -4.898) 11.883 15.191 ( 2.504 -1.324 -2.096) 3.524 15.255 ( -4.325 2.901 1.010) 5.305 15.364 ( -2.100 4.122 0.353) 4.640 15.560 ( -3.638 2.723 -2.343) 5.113 15.855 ( 1.506 -11.823 5.988) 13.338 16.003 ( 0.704 -10.665 0.107) 10.689 24.546 ( 1.604 1.201 -0.312) 2.028 24.635 ( -0.706 1.084 -1.053) 1.668 24.819 ( 0.614 0.307 1.478) 1.630 24.846 ( 2.015 0.980 -1.586) 2.745 25.197 ( -3.959 0.686 7.233) 8.274 25.344 ( 2.271 -0.571 -6.602) 7.005 25.710 ( 4.355 0.377 -4.709) 6.426 26.232 ( -17.628 -8.876 -7.126) 20.983 26.495 ( 0.723 -0.528 3.192) 3.315 26.712 ( 3.023 -3.426 -0.830) 4.644 26.984 ( -1.810 -24.536 21.264) 32.518 27.895 ( -10.779 -16.197 -1.258) 19.497 28.758 ( 1.637 6.470 5.119) 8.411 29.040 ( 1.251 6.205 -6.088) 8.782 29.268 ( 6.790 20.414 2.338) 21.640 29.595 ( 7.348 33.120 -12.543) 36.170 ======================= Grid point 167 (85/104) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.610 30.148 15.918) 34.098 2.429 ( 2.392 19.446 4.430) 20.087 2.629 ( 0.529 23.766 2.822) 23.939 2.985 ( 2.155 7.965 -15.696) 17.733 3.703 ( 0.385 -10.763 6.878) 12.779 3.810 ( 0.256 -5.752 -0.692) 5.800 3.967 ( -3.614 18.846 15.252) 24.512 4.032 ( -2.140 -13.134 12.559) 18.298 4.112 ( -2.007 9.731 11.589) 15.265 4.269 ( 3.001 7.268 -1.710) 8.047 4.402 ( -8.241 -2.560 2.484) 8.980 4.517 ( 8.958 -2.417 0.300) 9.283 4.689 ( -6.415 -1.905 -0.899) 6.752 4.822 ( 10.854 2.048 6.696) 12.916 4.927 ( -1.183 4.803 -6.366) 8.062 5.073 ( -2.453 12.525 2.502) 13.005 5.165 ( -2.756 -3.837 -0.008) 4.725 5.297 ( 2.802 0.393 -4.557) 5.364 5.365 ( -5.472 5.705 5.753) 9.777 5.575 ( -6.957 5.856 -15.915) 18.330 5.608 ( 5.211 3.232 -3.401) 7.012 5.772 ( 0.579 12.306 -15.097) 19.486 5.870 ( 11.164 -1.849 -1.311) 11.391 6.040 ( -6.357 -0.097 -12.428) 13.960 6.179 ( 2.372 -4.454 4.637) 6.853 6.302 ( -7.547 2.327 -6.355) 10.137 6.784 ( 8.000 22.934 5.293) 24.860 6.868 ( -3.131 13.695 -2.216) 14.222 6.989 ( -6.316 3.172 -1.844) 7.305 7.029 ( 6.515 13.424 -4.266) 15.519 7.267 ( -6.379 2.973 3.926) 8.059 7.336 ( -1.713 8.346 -1.885) 8.726 7.431 ( 0.807 -2.233 2.960) 3.794 7.512 ( 1.780 -1.308 -2.901) 3.647 7.622 ( 3.703 4.415 3.620) 6.805 7.698 ( -4.939 3.132 -2.281) 6.277 7.868 ( -1.886 2.524 4.375) 5.392 8.002 ( -1.951 5.678 3.471) 6.935 8.047 ( 6.093 -9.714 2.809) 11.806 8.171 ( 1.676 -3.257 4.478) 5.785 8.231 ( -6.330 -6.128 -3.492) 9.477 8.390 ( 3.763 -1.674 -8.466) 9.415 8.706 ( 12.929 -3.522 7.153) 15.190 8.846 ( 3.099 -2.671 0.145) 4.094 8.919 ( -7.413 -2.337 -3.258) 8.427 8.975 ( -6.413 6.471 -5.351) 10.566 9.813 ( 3.213 -6.570 12.355) 14.357 10.037 ( -1.642 -9.169 -8.145) 12.374 10.874 ( 1.954 1.070 6.703) 7.063 11.000 ( -0.991 -2.770 -3.834) 4.832 11.327 ( -3.155 0.987 3.466) 4.790 11.447 ( -0.405 -5.538 -6.162) 8.295 11.804 ( 6.320 1.158 13.412) 14.872 12.075 ( -8.857 2.321 -10.388) 13.847 12.358 ( 3.678 -5.704 8.827) 11.135 12.553 ( 4.348 -0.626 -8.643) 9.695 14.126 ( -0.780 -2.724 4.696) 5.484 14.226 ( -1.188 -1.278 -3.542) 3.948 14.467 ( -3.320 -0.669 -0.895) 3.503 14.493 ( 3.144 -5.101 -2.651) 6.552 14.834 ( -3.800 -3.265 1.293) 5.174 14.865 ( 2.799 -6.672 -1.364) 7.363 15.170 ( -0.969 -4.712 1.164) 4.949 15.191 ( 0.441 -3.191 -0.504) 3.261 15.436 ( -1.706 0.387 4.105) 4.462 15.535 ( 2.169 -1.522 -3.507) 4.396 15.675 ( -0.618 -8.851 3.116) 9.404 15.762 ( 0.912 -8.494 -3.774) 9.340 24.605 ( 0.805 1.542 0.517) 1.815 24.629 ( -1.078 1.279 -1.636) 2.340 24.837 ( -1.790 1.023 1.644) 2.637 24.881 ( 1.964 0.154 -2.284) 3.016 25.215 ( -3.623 1.418 5.954) 7.112 25.316 ( 0.599 -1.234 -2.591) 2.931 25.760 ( -10.445 -1.049 2.248) 10.736 25.799 ( 7.970 -1.227 -1.346) 8.175 26.569 ( 3.202 1.684 5.633) 6.695 26.699 ( -2.163 1.542 -5.765) 6.348 26.969 ( 14.771 -12.963 15.605) 25.095 27.259 ( -10.932 -15.508 -10.544) 21.707 28.954 ( 0.602 4.502 4.908) 6.687 29.041 ( -1.950 1.423 -2.276) 3.318 29.811 ( -1.935 19.976 7.804) 21.534 30.096 ( 4.544 14.649 -18.207) 23.806 ======================= Grid point 168 (86/104) ======================= q-point: ( 0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 12.716 23.766 9.886) 28.710 2.539 ( 14.023 24.203 -14.757) 31.626 2.803 ( 8.191 15.605 15.151) 23.241 2.920 ( 7.887 13.562 -17.324) 23.372 3.735 ( -2.844 -8.019 3.150) 9.073 3.797 ( -3.847 -6.689 -1.135) 7.799 3.972 ( 4.520 0.014 0.354) 4.534 4.072 ( -5.775 -4.479 1.859) 7.541 4.198 ( -5.647 13.588 14.140) 20.407 4.277 ( 0.397 5.554 1.288) 5.715 4.400 ( 4.287 -6.169 -1.501) 7.661 4.565 ( -2.633 2.616 -3.155) 4.871 4.682 ( 6.105 4.242 3.114) 8.060 4.884 ( 6.097 -4.909 -3.369) 8.522 4.979 ( -6.940 7.516 1.189) 10.298 5.128 ( 5.513 12.541 4.575) 14.443 5.183 ( 0.142 -0.287 -6.139) 6.147 5.273 ( 7.200 -3.621 4.320) 9.144 5.345 ( -4.437 3.881 -5.709) 8.206 5.442 ( 5.524 8.919 9.901) 14.425 5.705 ( 4.773 7.862 -10.054) 13.626 5.730 ( 5.056 3.556 0.581) 6.209 5.859 ( 2.000 4.674 -7.633) 9.171 6.029 ( 4.098 -0.734 2.364) 4.788 6.130 ( -5.920 0.381 -1.575) 6.138 6.301 ( 2.739 -0.304 9.721) 10.104 6.683 ( -10.981 21.627 -7.039) 25.256 6.792 ( -11.185 6.837 1.195) 13.164 6.929 ( 2.471 16.911 -0.872) 17.112 7.059 ( -15.208 0.121 4.186) 15.775 7.144 ( 3.019 5.286 -0.847) 6.147 7.278 ( -3.033 4.267 1.989) 5.600 7.385 ( -8.029 0.738 4.672) 9.319 7.487 ( -9.839 3.733 -0.871) 10.559 7.610 ( 7.417 -3.091 -1.536) 8.181 7.676 ( 2.754 -0.982 -1.936) 3.506 7.911 ( -1.879 2.050 0.640) 2.853 8.032 ( 3.046 10.314 0.549) 10.768 8.124 ( 1.427 -9.423 6.414) 11.488 8.213 ( 6.424 -0.788 -2.881) 7.085 8.328 ( 7.377 -1.321 4.271) 8.626 8.364 ( -1.432 -7.753 -8.216) 11.387 8.698 ( 4.958 -4.443 -7.737) 10.207 8.817 ( -4.418 1.780 -5.419) 7.215 8.968 ( 2.930 1.719 2.787) 4.394 9.085 ( 11.500 0.227 7.119) 13.528 9.891 ( -1.981 -11.653 -6.577) 13.527 9.964 ( -0.410 -5.211 5.097) 7.301 10.875 ( -6.929 0.627 -4.043) 8.047 10.944 ( -1.613 -1.762 3.277) 4.055 11.202 ( -7.797 2.216 4.022) 9.049 11.445 ( -2.587 0.735 0.526) 2.740 11.783 ( -9.980 3.722 -9.924) 14.558 12.033 ( -0.447 -0.787 15.458) 15.484 12.393 ( 0.051 -3.266 -5.729) 6.595 12.532 ( 4.005 -1.478 -7.632) 8.745 14.092 ( -3.618 1.769 2.327) 4.652 14.277 ( 4.605 -8.848 1.065) 10.031 14.437 ( -0.459 -2.512 0.860) 2.694 14.546 ( 4.666 -4.139 -1.224) 6.356 14.808 ( -0.914 -7.211 1.746) 7.476 14.955 ( 7.192 -2.915 -0.426) 7.772 15.130 ( -2.102 -5.033 0.212) 5.458 15.258 ( 4.715 -1.567 1.094) 5.088 15.428 ( -2.764 -0.798 2.783) 4.003 15.545 ( 2.692 -1.537 -3.560) 4.720 15.696 ( -0.891 -11.300 2.998) 11.725 15.747 ( 1.816 -7.310 -3.569) 8.335 24.584 ( -1.875 1.620 -0.617) 2.554 24.627 ( 0.032 0.832 1.111) 1.388 24.808 ( -2.769 1.265 1.370) 3.338 24.883 ( 0.267 -0.213 -1.825) 1.856 25.205 ( -3.284 0.715 5.931) 6.817 25.296 ( -1.141 -1.963 0.183) 2.278 25.676 ( -1.211 4.137 0.346) 4.325 25.992 ( 11.372 -5.265 1.979) 12.687 26.569 ( -2.082 0.434 -4.039) 4.565 26.679 ( -0.622 1.047 0.303) 1.255 27.033 ( 2.245 -9.829 -12.634) 16.164 27.394 ( 16.465 -15.938 9.982) 24.995 28.965 ( -3.337 3.409 -2.235) 5.268 28.998 ( -1.228 3.037 4.930) 5.919 29.764 ( -10.056 20.934 5.004) 23.757 29.990 ( -0.570 13.050 -10.589) 16.815 ======================= Grid point 169 (87/104) ======================= q-point: ( 0.20 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 12.442 19.498 -14.764) 27.440 2.719 ( 12.183 17.479 -3.466) 21.586 2.862 ( 7.614 15.844 -13.962) 22.449 3.229 ( 16.947 14.040 13.860) 26.008 3.629 ( -9.840 -3.662 6.664) 12.436 3.743 ( -0.843 -2.206 -5.038) 5.564 3.899 ( -8.136 1.268 -4.469) 9.369 4.093 ( -4.628 -3.197 4.092) 6.956 4.160 ( 1.120 8.139 0.364) 8.223 4.334 ( 6.434 -3.116 0.552) 7.170 4.477 ( 5.368 -0.271 0.973) 5.462 4.523 ( -3.093 8.960 5.159) 10.792 4.733 ( -5.582 8.668 -4.817) 11.380 4.874 ( -4.636 -7.432 -1.023) 8.818 4.979 ( 2.534 5.797 10.861) 12.569 5.125 ( -2.187 1.629 0.732) 2.823 5.227 ( 12.748 8.480 -7.811) 17.188 5.315 ( 3.308 2.978 -2.436) 5.074 5.499 ( 7.177 -2.280 0.571) 7.552 5.585 ( 3.924 2.394 0.424) 4.616 5.753 ( 8.021 6.393 -6.308) 12.041 5.856 ( 7.802 4.644 4.480) 10.125 5.948 ( 2.819 12.233 3.540) 13.044 6.077 ( -0.698 1.184 1.881) 2.330 6.122 ( 3.703 -1.147 9.708) 10.454 6.341 ( -10.893 9.142 -2.580) 14.453 6.435 ( -6.829 13.199 1.470) 14.934 6.617 ( -7.004 9.576 2.504) 12.125 6.788 ( -10.381 -7.564 4.680) 13.670 6.933 ( -3.089 10.481 2.709) 11.257 7.194 ( 0.004 3.266 -0.221) 3.273 7.273 ( -4.675 3.282 3.255) 6.574 7.288 ( -3.218 1.866 -0.981) 3.847 7.351 ( 1.666 0.527 -0.511) 1.820 7.727 ( 7.625 -5.034 -2.773) 9.548 7.747 ( 7.806 -4.841 -6.008) 10.976 7.900 ( 0.301 5.811 3.290) 6.685 8.069 ( 1.190 11.352 -0.792) 11.442 8.156 ( -3.057 -6.328 -2.697) 7.527 8.272 ( 2.966 -7.866 7.701) 11.400 8.367 ( 7.720 0.861 -3.707) 8.607 8.516 ( 7.546 -2.463 3.349) 8.615 8.668 ( -5.831 3.533 -4.744) 8.306 8.798 ( 7.947 -6.438 -6.134) 11.926 9.023 ( 1.599 2.749 1.332) 3.448 9.225 ( -0.990 -2.077 0.931) 2.482 9.734 ( -3.797 -6.634 -13.161) 15.220 10.028 ( -3.592 -9.380 12.995) 16.424 10.650 ( -10.484 4.781 -5.961) 12.973 10.923 ( -1.730 2.618 -0.318) 3.154 11.157 ( -5.183 5.993 6.703) 10.378 11.338 ( -10.166 3.873 2.003) 11.062 11.511 ( -7.571 5.925 -7.951) 12.475 12.038 ( -11.822 -1.030 11.561) 16.568 12.396 ( 7.123 -6.753 -7.915) 12.609 12.587 ( 9.539 2.293 -6.545) 11.793 14.073 ( -1.808 2.717 3.585) 4.848 14.352 ( 2.922 -13.145 0.482) 13.474 14.457 ( 1.477 -5.879 1.623) 6.275 14.631 ( 4.582 -3.715 0.377) 5.911 14.812 ( -0.349 -9.869 1.070) 9.933 15.034 ( -0.141 -3.323 -2.150) 3.961 15.130 ( 2.661 -1.092 0.988) 3.041 15.359 ( 1.370 -0.581 1.565) 2.160 15.419 ( 2.925 -6.130 1.904) 7.054 15.559 ( 1.505 -2.167 -1.811) 3.200 15.692 ( -0.818 -10.625 0.009) 10.657 15.772 ( 3.800 -6.205 -2.735) 7.773 24.553 ( -1.030 1.722 0.118) 2.010 24.633 ( -0.786 0.128 1.854) 2.018 24.765 ( -2.982 1.460 0.815) 3.419 24.857 ( -1.554 -0.221 -1.261) 2.013 25.200 ( -3.739 0.213 6.490) 7.493 25.295 ( 0.921 -2.696 0.256) 2.861 25.673 ( 0.557 4.705 -1.241) 4.897 26.115 ( -1.336 -8.925 -2.593) 9.389 26.542 ( 3.141 0.754 -1.747) 3.672 26.704 ( 9.896 -2.595 -0.798) 10.262 27.095 ( 9.828 -0.741 -6.335) 11.716 27.730 ( 12.823 -14.954 4.598) 20.229 28.881 ( -2.654 4.962 -2.886) 6.324 29.015 ( -2.252 2.346 5.725) 6.584 29.574 ( -12.188 20.691 0.565) 24.020 29.874 ( -5.558 10.324 -3.292) 12.178 ======================= Grid point 170 (88/104) ======================= q-point: ( 0.30 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 7.352 16.017 -12.912) 21.847 2.821 ( 11.788 11.042 -6.890) 17.560 3.006 ( 8.906 12.926 -1.489) 15.767 3.429 ( -3.385 4.299 -1.729) 5.739 3.592 ( -7.422 11.792 8.617) 16.382 3.659 ( -0.659 6.408 -8.235) 10.455 3.770 ( -1.697 2.155 0.979) 2.913 3.975 ( -4.515 5.481 8.320) 10.938 4.236 ( 1.889 1.990 1.139) 2.971 4.419 ( -3.940 -1.915 -5.110) 6.731 4.512 ( -0.264 -0.331 7.142) 7.155 4.539 ( -0.421 12.688 0.692) 12.714 4.689 ( 3.878 -11.667 3.230) 12.712 4.757 ( -4.474 -2.823 0.005) 5.290 5.069 ( 6.245 8.593 -1.352) 10.709 5.159 ( -4.136 8.211 7.563) 11.905 5.289 ( -0.437 6.501 -7.698) 10.086 5.406 ( 0.148 5.183 -0.294) 5.194 5.497 ( 1.158 -3.970 0.244) 4.143 5.682 ( 4.233 8.449 -1.222) 9.529 5.832 ( 1.300 6.471 -0.736) 6.641 5.892 ( -2.693 0.367 2.691) 3.825 6.022 ( 4.692 4.140 -2.947) 6.917 6.128 ( -10.289 14.289 -0.018) 17.608 6.135 ( 4.944 7.565 10.402) 13.779 6.336 ( 7.987 0.724 8.726) 11.851 6.372 ( 7.214 -2.768 -3.986) 8.694 6.586 ( -0.402 5.763 -0.784) 5.830 6.830 ( 1.718 -0.650 9.465) 9.642 6.905 ( -1.271 6.775 1.753) 7.113 7.160 ( -2.889 7.459 -1.622) 8.162 7.204 ( 1.076 -5.930 -4.585) 7.573 7.249 ( 1.603 1.100 2.843) 3.444 7.509 ( 11.387 -2.913 -2.374) 11.991 7.811 ( 6.393 -3.453 -7.731) 10.610 7.842 ( 7.854 -5.979 -3.565) 10.495 7.939 ( -2.431 0.091 2.741) 3.665 8.078 ( 1.874 6.706 -3.519) 7.802 8.146 ( 3.974 2.296 2.111) 5.052 8.390 ( 3.199 0.233 2.241) 3.913 8.474 ( 5.083 2.491 0.968) 5.742 8.492 ( -6.204 2.636 -2.489) 7.186 8.647 ( 0.121 -3.297 1.256) 3.530 8.823 ( 2.983 -8.662 -5.921) 10.908 9.065 ( -0.612 -0.949 2.325) 2.584 9.161 ( -2.636 1.394 1.145) 3.194 9.525 ( -7.812 -1.790 -7.536) 11.001 9.942 ( -17.490 -10.331 5.077) 20.938 10.492 ( -0.908 6.436 -2.428) 6.938 10.904 ( 0.510 5.140 -1.185) 5.299 11.063 ( -13.543 7.240 -1.810) 15.463 11.107 ( -8.107 7.601 5.680) 12.480 11.481 ( 2.684 5.921 3.315) 7.298 11.890 ( -11.121 3.343 4.503) 12.455 12.478 ( 8.108 -7.448 -5.062) 12.118 12.711 ( 8.953 0.120 -5.765) 10.650 14.083 ( -1.297 3.404 4.820) 6.042 14.408 ( 3.073 -13.679 0.437) 14.027 14.515 ( 2.463 -8.257 2.010) 8.848 14.703 ( 3.289 -4.696 -0.828) 5.793 14.816 ( -0.271 -9.805 1.446) 9.915 14.947 ( -4.937 -0.097 -4.093) 6.413 15.196 ( 3.307 -0.756 0.817) 3.489 15.340 ( -2.424 -10.102 1.454) 10.490 15.527 ( 3.846 -5.259 -0.099) 6.516 15.562 ( -1.094 -2.931 0.964) 3.274 15.683 ( 1.714 -7.730 -1.581) 8.074 15.823 ( 4.765 -4.938 -3.898) 7.892 24.551 ( 0.396 1.602 0.638) 1.769 24.634 ( -1.146 -0.307 2.135) 2.443 24.719 ( -2.360 1.743 0.177) 2.940 24.807 ( -2.669 0.145 -0.796) 2.789 25.192 ( -4.103 0.289 7.289) 8.369 25.322 ( 2.452 -3.275 -1.901) 4.512 25.668 ( 0.006 2.183 -0.434) 2.225 25.983 ( -4.472 -6.857 -7.486) 11.094 26.632 ( 6.237 2.125 1.103) 6.681 26.987 ( 14.259 0.292 6.048) 15.491 27.194 ( 6.817 -2.877 -5.101) 8.987 27.937 ( 7.270 -13.391 -0.225) 15.239 28.831 ( 0.295 6.986 -2.534) 7.437 29.024 ( -2.528 3.544 5.276) 6.840 29.368 ( -10.110 17.576 0.666) 20.287 29.725 ( -7.459 6.984 -2.766) 10.586 ======================= Grid point 171 (89/104) ======================= q-point: ( 0.40 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 8.210 13.575 -2.317) 16.032 2.994 ( 7.496 6.194 3.123) 10.213 3.104 ( 5.028 11.021 -5.096) 13.142 3.312 ( -5.529 8.868 -1.582) 10.570 3.465 ( -9.617 13.405 7.383) 18.075 3.605 ( 0.436 4.939 -3.896) 6.305 3.730 ( 2.288 -0.445 -3.490) 4.197 4.068 ( -1.948 10.834 3.818) 11.651 4.173 ( -4.735 2.575 -5.844) 7.950 4.329 ( 2.351 1.541 1.104) 3.020 4.509 ( -3.766 3.578 2.507) 5.768 4.578 ( 3.721 -0.185 -4.792) 6.070 4.671 ( -3.910 0.520 -3.015) 4.965 4.798 ( -2.622 -6.283 10.617) 12.612 5.009 ( -10.513 7.539 -5.699) 14.136 5.120 ( -9.565 9.851 3.026) 14.060 5.261 ( -1.274 -1.173 2.046) 2.680 5.290 ( 9.305 3.387 2.193) 10.142 5.633 ( -0.233 8.529 0.308) 8.538 5.694 ( 2.113 3.267 -0.876) 3.988 5.806 ( -4.464 -1.486 14.734) 15.467 5.956 ( -1.674 10.420 1.343) 10.638 5.982 ( -0.517 10.336 2.766) 10.712 6.140 ( 7.673 6.516 -1.548) 10.185 6.371 ( 1.329 -1.510 7.292) 7.564 6.430 ( 1.638 -0.400 5.685) 5.930 6.499 ( 12.306 4.668 -11.504) 17.480 6.644 ( 3.907 -1.371 0.307) 4.152 6.887 ( -1.748 3.724 6.223) 7.459 6.912 ( 1.721 12.351 -2.112) 12.648 7.124 ( 3.978 -3.577 -6.957) 8.776 7.269 ( 9.856 -3.539 -0.223) 10.474 7.414 ( 11.155 -2.068 2.580) 11.634 7.614 ( 1.830 1.744 -9.957) 10.273 7.820 ( 3.284 -7.092 -7.470) 10.811 7.852 ( -4.944 -4.108 -0.051) 6.428 7.928 ( 4.293 -4.212 -1.497) 6.198 8.102 ( 1.611 7.535 2.051) 7.974 8.248 ( 1.942 1.759 -1.059) 2.826 8.347 ( -7.298 1.715 -4.836) 8.921 8.438 ( 2.420 3.094 -0.085) 3.929 8.561 ( 1.210 -2.324 2.611) 3.699 8.635 ( 3.518 0.695 -0.694) 3.653 8.843 ( 3.350 -5.325 -5.065) 8.076 8.993 ( -6.368 -4.825 2.192) 8.284 9.217 ( 1.339 7.939 5.968) 10.022 9.339 ( -8.722 -3.151 0.361) 9.281 9.604 ( -15.979 -2.957 -1.443) 16.314 10.501 ( 1.245 4.210 0.637) 4.436 10.774 ( -10.300 3.244 -3.167) 11.254 10.958 ( 2.244 6.325 0.579) 6.736 11.059 ( -5.106 7.400 6.092) 10.860 11.570 ( 1.796 7.878 5.353) 9.692 11.758 ( -5.350 8.208 0.781) 9.829 12.581 ( 6.376 -7.797 -2.024) 10.273 12.779 ( 4.631 -1.800 -7.003) 8.587 14.122 ( -0.048 4.200 6.590) 7.815 14.455 ( 0.901 -14.043 -1.356) 14.137 14.558 ( 0.691 -4.256 1.547) 4.580 14.745 ( 3.560 -8.135 -3.145) 9.421 14.820 ( -4.978 -4.007 2.056) 6.712 14.830 ( 0.726 -5.093 -2.788) 5.851 15.267 ( 3.278 -7.714 0.745) 8.415 15.328 ( -0.564 -8.493 3.314) 9.134 15.491 ( -4.895 -8.114 0.033) 9.476 15.555 ( -0.120 -4.796 -3.306) 5.826 15.738 ( 3.824 -2.541 0.170) 4.594 15.859 ( 2.984 -3.837 -4.282) 6.478 24.576 ( 1.567 1.194 0.590) 2.057 24.625 ( -2.034 -0.141 1.943) 2.817 24.693 ( -0.279 1.812 -0.042) 1.833 24.752 ( -2.499 0.664 -0.567) 2.647 25.186 ( -4.313 0.416 8.051) 9.143 25.342 ( 2.790 -3.498 -4.079) 6.055 25.671 ( -0.256 -0.575 1.488) 1.616 25.863 ( -1.151 -5.434 -6.998) 8.934 26.769 ( 5.996 4.480 3.702) 8.350 27.131 ( 0.117 10.149 -4.346) 11.041 27.379 ( 12.072 -12.604 7.631) 19.048 27.980 ( 0.041 -12.082 -5.057) 13.098 28.850 ( 3.830 9.410 -1.748) 10.309 28.995 ( -5.623 10.035 3.171) 11.932 29.260 ( -3.240 9.262 4.066) 10.621 29.567 ( -5.312 3.361 -5.110) 8.101 ======================= Grid point 172 (90/104) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -4.673 10.670 6.793) 13.484 3.020 ( 2.526 13.936 -10.118) 17.406 3.164 ( -0.790 10.909 5.414) 12.204 3.259 ( 3.900 10.911 -2.097) 11.776 3.439 ( -3.164 5.774 8.916) 11.083 3.646 ( 6.125 1.608 -0.756) 6.378 3.772 ( 5.286 2.388 -5.207) 7.795 3.926 ( -3.036 -1.662 -10.839) 11.378 4.153 ( 0.004 4.215 5.678) 7.072 4.287 ( -7.891 3.975 -4.549) 9.937 4.508 ( -0.178 4.976 2.543) 5.591 4.552 ( -1.472 5.465 -1.516) 5.860 4.581 ( -1.944 7.305 4.446) 8.770 4.814 ( 0.189 3.353 -10.346) 10.878 4.840 ( -4.592 -3.419 13.804) 14.944 5.078 ( 2.809 5.525 -0.558) 6.223 5.275 ( -2.140 -0.421 5.416) 5.839 5.481 ( 6.679 3.295 -4.160) 8.531 5.577 ( -3.526 7.039 6.921) 10.482 5.705 ( 1.170 2.877 -3.489) 4.671 5.915 ( -4.210 7.909 6.569) 11.110 5.950 ( 0.454 0.452 12.801) 12.817 6.014 ( 1.476 10.943 2.451) 11.310 6.156 ( -2.631 0.066 -2.409) 3.568 6.405 ( 4.298 3.586 -4.118) 6.949 6.489 ( -2.580 5.676 -9.264) 11.166 6.588 ( 4.409 7.285 5.354) 10.059 6.663 ( 2.934 -1.131 -1.845) 3.645 6.906 ( -4.798 -0.840 5.941) 7.682 6.919 ( 0.445 6.375 -0.417) 6.404 7.213 ( 9.440 0.865 -3.151) 9.990 7.342 ( -5.081 1.922 -11.162) 12.414 7.545 ( 3.254 -1.696 1.017) 3.808 7.576 ( 2.124 -4.020 -1.815) 4.895 7.760 ( -8.703 -6.145 -2.257) 10.890 7.775 ( 4.197 -4.516 -3.519) 7.099 8.059 ( 1.339 -5.005 3.050) 6.012 8.077 ( -3.158 -3.086 0.199) 4.420 8.185 ( -1.205 2.504 -2.638) 3.832 8.194 ( -0.262 1.318 -2.256) 2.626 8.505 ( -0.382 5.201 1.912) 5.554 8.566 ( -0.867 2.024 -2.087) 3.034 8.721 ( 3.098 0.218 2.007) 3.698 8.788 ( -4.968 -5.078 -2.316) 7.472 9.024 ( 9.031 -1.046 1.819) 9.271 9.099 ( -6.609 -0.410 -3.396) 7.442 9.359 ( 0.392 2.615 7.331) 7.794 9.461 ( 1.097 1.854 -1.914) 2.882 10.546 ( 1.211 4.711 2.780) 5.603 10.621 ( -1.221 4.868 -4.121) 6.494 10.995 ( -4.121 5.585 4.056) 8.039 11.045 ( 3.969 3.193 0.145) 5.096 11.638 ( 0.385 9.072 5.181) 10.454 11.706 ( -0.974 10.515 -0.809) 10.591 12.660 ( 2.996 -7.806 0.144) 8.363 12.748 ( -0.366 -3.255 -7.757) 8.420 14.202 ( 0.100 3.716 9.294) 10.009 14.388 ( -1.576 -2.934 -7.122) 7.863 14.606 ( 0.999 -8.649 4.408) 9.759 14.707 ( -2.701 -9.517 -3.559) 10.514 14.801 ( -1.959 -5.612 1.663) 6.172 14.851 ( 4.174 -7.941 -2.283) 9.257 15.322 ( -0.730 -13.334 3.396) 13.779 15.358 ( 0.645 -12.262 1.359) 12.354 15.437 ( 1.313 -2.921 0.226) 3.210 15.491 ( -2.763 -3.307 -3.663) 5.655 15.792 ( 1.128 -1.681 0.898) 2.215 15.844 ( -0.318 -2.657 -4.020) 4.829 24.599 ( -1.838 0.801 1.405) 2.448 24.617 ( 2.120 0.393 -0.202) 2.165 24.694 ( -1.383 1.556 1.217) 2.412 24.723 ( 1.370 1.054 -1.403) 2.226 25.182 ( -4.582 0.362 8.689) 9.830 25.347 ( 2.299 -3.598 -4.887) 6.490 25.686 ( -0.173 -2.192 2.784) 3.548 25.806 ( 1.508 -4.838 -6.615) 8.333 26.905 ( 3.787 6.452 5.805) 9.469 27.032 ( -5.012 7.779 -5.549) 10.790 27.650 ( 8.101 -10.785 9.481) 16.487 27.852 ( -6.734 -11.193 -8.696) 15.693 28.899 ( -6.436 12.043 1.737) 13.765 28.925 ( 5.130 11.154 -0.653) 12.295 29.287 ( -2.079 5.871 7.559) 9.795 29.475 ( 4.153 1.392 -8.958) 9.972 ======================= Grid point 173 (91/104) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -16.494 18.345 2.447) 24.790 3.015 ( -2.782 11.682 3.079) 12.397 3.159 ( -9.309 10.157 -7.825) 15.845 3.256 ( 3.825 7.265 2.714) 8.647 3.493 ( 4.201 7.339 1.055) 8.522 3.740 ( 8.665 -0.422 -13.294) 15.874 3.796 ( 2.763 0.041 -5.516) 6.169 3.950 ( 10.837 3.256 7.215) 13.420 4.118 ( -7.369 0.506 4.854) 8.839 4.237 ( -0.575 5.731 7.221) 9.237 4.480 ( -2.616 13.278 -0.310) 13.537 4.531 ( 1.414 5.817 0.091) 5.987 4.714 ( 4.105 0.173 12.565) 13.220 4.776 ( 1.525 0.723 -8.249) 8.420 4.913 ( 0.708 1.356 11.551) 11.652 5.134 ( 7.228 0.809 -10.003) 12.368 5.243 ( -7.496 2.388 5.241) 9.453 5.452 ( 1.072 7.727 -7.093) 10.543 5.610 ( -3.335 -3.307 4.609) 6.580 5.691 ( -0.213 6.190 0.181) 6.196 5.846 ( -8.048 9.923 8.009) 15.079 6.042 ( 0.781 5.646 -1.938) 6.020 6.110 ( 1.409 0.754 3.134) 3.518 6.125 ( 0.186 0.732 0.654) 0.999 6.296 ( -9.740 10.013 -4.391) 14.643 6.379 ( 2.328 0.625 -3.391) 4.160 6.635 ( 0.140 8.488 -5.114) 9.911 6.761 ( 3.952 0.454 -6.760) 7.844 6.818 ( -2.151 10.982 3.793) 11.816 6.945 ( -0.242 -0.196 5.978) 5.986 7.145 ( -3.110 -0.616 -11.134) 11.576 7.306 ( -8.111 -2.460 -3.325) 9.105 7.365 ( -2.164 -4.422 5.132) 7.111 7.536 ( -5.906 0.216 -3.925) 7.094 7.706 ( -0.095 -7.859 1.562) 8.014 7.829 ( -1.641 -6.865 1.884) 7.306 7.916 ( -5.194 -3.306 -0.890) 6.220 8.109 ( -3.345 2.263 2.047) 4.528 8.195 ( 0.135 2.363 3.837) 4.508 8.273 ( 3.132 6.616 1.153) 7.410 8.450 ( -2.750 1.413 -0.260) 3.103 8.521 ( -0.195 0.322 0.677) 0.774 8.697 ( -2.943 -3.266 -2.213) 4.922 8.765 ( 0.586 -3.150 1.360) 3.480 9.068 ( 4.440 -2.615 -3.535) 6.249 9.238 ( 6.358 5.649 1.977) 8.731 9.397 ( 1.662 -3.296 -1.360) 3.933 9.568 ( 13.401 1.122 0.616) 13.462 10.523 ( -1.640 4.842 -0.834) 5.180 10.729 ( 11.246 4.606 0.347) 12.158 10.938 ( -4.213 6.753 2.135) 8.241 11.147 ( 6.127 3.324 -1.125) 7.060 11.651 ( -2.278 9.537 -1.210) 9.879 11.731 ( 4.459 8.197 3.105) 9.835 12.630 ( -4.866 -4.506 -6.912) 9.579 12.687 ( -0.821 -7.328 1.011) 7.443 14.214 ( -4.181 -1.791 1.319) 4.736 14.387 ( 4.004 2.006 1.311) 4.667 14.616 ( -2.780 -7.398 -1.671) 8.078 14.661 ( -0.962 -10.149 3.486) 10.774 14.758 ( -2.770 -5.630 0.991) 6.352 14.903 ( 3.762 -8.986 -3.325) 10.293 15.277 ( -3.184 -12.081 0.485) 12.503 15.388 ( -3.309 -3.650 -1.920) 5.288 15.448 ( 3.427 -10.725 3.556) 11.807 15.509 ( 3.637 -3.567 0.723) 5.146 15.761 ( -4.410 -2.299 -1.587) 5.220 15.804 ( -1.302 -1.429 -0.398) 1.974 24.579 ( -1.107 1.335 0.385) 1.777 24.650 ( 0.739 -0.543 0.188) 0.935 24.687 ( 1.120 2.313 0.074) 2.571 24.758 ( 3.060 0.856 -0.975) 3.323 25.181 ( -4.494 0.207 8.996) 10.058 25.338 ( 1.522 -3.579 -4.427) 5.893 25.718 ( 0.499 -3.111 3.554) 4.750 25.784 ( 2.337 -4.155 -6.278) 7.883 26.865 ( -7.633 6.146 -4.757) 10.894 27.005 ( 0.488 7.947 6.716) 10.416 27.586 ( -12.457 -11.488 -10.493) 19.932 27.831 ( 2.345 -11.369 8.303) 14.272 28.813 ( -4.379 9.941 1.541) 10.971 29.006 ( 2.586 8.155 1.774) 8.737 29.305 ( 1.587 8.186 1.167) 8.420 29.572 ( 12.386 5.101 -5.951) 14.657 ======================= Grid point 174 (92/104) ======================= q-point: (-0.30 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -17.465 22.066 9.226) 29.615 2.793 ( -20.804 15.457 -1.168) 25.944 2.992 ( -1.910 12.260 -0.405) 12.414 3.375 ( 3.793 1.926 1.673) 4.571 3.568 ( 3.651 1.871 -0.866) 4.193 3.760 ( 7.348 -1.195 -4.863) 8.892 3.844 ( 5.192 8.370 -8.229) 12.834 4.091 ( -2.921 3.307 4.752) 6.484 4.187 ( -5.877 14.015 1.854) 15.310 4.279 ( 10.291 5.003 10.527) 15.548 4.454 ( -0.808 7.553 -0.364) 7.605 4.595 ( -1.783 -2.333 4.396) 5.287 4.676 ( -1.896 7.175 -3.890) 8.379 4.791 ( -5.203 -8.513 6.345) 11.823 4.973 ( -10.270 -1.363 4.506) 11.298 5.170 ( 1.003 9.950 1.096) 10.060 5.190 ( 7.257 2.584 -3.493) 8.458 5.457 ( 4.447 3.902 -2.359) 6.369 5.586 ( -9.821 -4.469 4.575) 11.720 5.646 ( -1.311 0.556 3.126) 3.435 5.732 ( -7.838 6.144 2.024) 10.163 5.920 ( -13.478 11.147 0.847) 17.511 6.054 ( -4.238 8.385 -1.238) 9.476 6.127 ( 1.689 2.030 1.665) 3.121 6.224 ( 11.034 10.635 -8.374) 17.464 6.510 ( -0.388 1.045 -11.278) 11.333 6.569 ( 9.643 3.751 0.863) 10.383 6.632 ( 0.464 0.436 -13.528) 13.543 6.925 ( 0.767 9.031 1.704) 9.222 6.987 ( 1.955 3.047 -1.530) 3.930 7.072 ( 3.357 -2.008 0.919) 4.018 7.200 ( 0.634 0.426 -2.655) 2.763 7.265 ( -7.669 -7.127 2.321) 10.724 7.496 ( -2.034 -5.461 -2.566) 6.367 7.687 ( -3.051 -1.946 1.638) 3.972 7.768 ( -6.368 -2.405 2.592) 7.283 7.890 ( 1.604 -4.415 4.403) 6.438 8.032 ( -6.283 5.399 1.790) 8.475 8.168 ( -4.658 4.845 2.651) 7.224 8.276 ( -5.128 9.494 5.123) 11.945 8.461 ( 4.165 0.750 -0.031) 4.232 8.574 ( -1.040 -3.924 -0.420) 4.081 8.680 ( 5.663 -2.501 -2.881) 6.828 8.746 ( -3.361 -6.517 -0.103) 7.333 9.098 ( 0.316 -3.540 -1.497) 3.856 9.236 ( -3.283 5.104 -2.883) 6.719 9.413 ( 1.446 0.923 1.989) 2.627 9.961 ( 23.974 -7.026 2.017) 25.064 10.487 ( -1.835 3.905 -1.415) 4.541 10.867 ( -1.635 3.586 1.771) 4.321 11.004 ( 13.537 9.144 1.913) 16.448 11.229 ( 5.594 3.537 -3.137) 7.324 11.560 ( -5.022 6.221 -2.875) 8.496 11.917 ( 12.452 6.694 2.442) 14.347 12.456 ( -8.150 -5.330 -4.235) 10.619 12.644 ( -4.470 -5.956 -0.018) 7.447 14.156 ( -1.759 -2.863 -1.035) 3.516 14.416 ( -2.578 -7.714 0.052) 8.134 14.571 ( -0.776 -3.935 -2.915) 4.958 14.653 ( -1.828 -8.059 3.106) 8.829 14.772 ( 0.574 -1.129 5.655) 5.795 14.926 ( 2.465 -9.940 -3.001) 10.672 15.218 ( -2.937 -4.582 -1.100) 5.553 15.353 ( 0.197 -7.361 0.738) 7.401 15.488 ( -3.042 -6.144 3.348) 7.630 15.587 ( 2.708 -1.255 -1.590) 3.382 15.663 ( -3.337 -8.587 0.853) 9.252 15.766 ( -2.407 -1.097 0.091) 2.647 24.566 ( -0.125 1.829 -0.605) 1.931 24.655 ( 0.012 0.028 0.491) 0.492 24.731 ( 3.405 1.519 -0.777) 3.809 24.807 ( 3.048 0.664 -0.910) 3.249 25.187 ( -3.782 0.232 8.736) 9.522 25.326 ( 1.461 -3.302 -3.722) 5.186 25.745 ( 1.721 -2.681 -4.852) 5.804 25.802 ( 1.738 -4.412 5.744) 7.448 26.681 ( -8.025 3.696 -3.215) 9.402 27.036 ( -3.506 9.605 4.932) 11.352 27.214 ( -17.562 -13.084 -9.629) 23.923 27.876 ( -4.558 -12.936 5.271) 14.693 28.778 ( -1.053 8.024 2.071) 8.354 29.048 ( 0.104 1.399 2.811) 3.142 29.400 ( 8.706 15.847 -1.829) 18.173 29.772 ( 15.221 9.235 -6.429) 18.928 ======================= Grid point 175 (93/104) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -13.809 23.956 19.707) 33.955 2.447 ( -18.711 24.016 7.262) 31.299 2.925 ( -3.422 12.587 -5.205) 14.044 3.362 ( -8.222 2.792 0.028) 8.683 3.615 ( -0.168 -3.029 4.981) 5.832 3.821 ( 0.298 -0.982 -5.566) 5.660 3.896 ( 8.793 1.553 -4.583) 10.037 4.010 ( -11.608 20.603 7.031) 24.672 4.075 ( -3.829 5.950 4.478) 8.374 4.366 ( -7.375 -2.630 -1.243) 7.928 4.482 ( -5.639 21.656 6.993) 23.445 4.523 ( -0.601 -0.391 5.810) 5.854 4.578 ( -7.628 -7.558 -0.689) 10.760 4.826 ( 4.781 -6.810 4.765) 9.589 4.914 ( 0.276 -1.156 4.146) 4.313 5.170 ( -2.512 15.619 0.540) 15.829 5.241 ( -1.221 4.441 -3.098) 5.550 5.380 ( -1.414 -0.787 -5.498) 5.732 5.530 ( -2.751 -8.576 2.138) 9.257 5.614 ( -5.458 7.612 -1.813) 9.540 5.670 ( -3.277 -2.791 2.341) 4.900 5.752 ( -2.512 4.128 0.817) 4.900 6.059 ( 5.597 9.849 3.941) 11.994 6.216 ( 4.373 6.916 -4.254) 9.222 6.331 ( -1.259 -2.065 -7.996) 8.354 6.416 ( 4.571 10.029 -11.215) 15.724 6.529 ( 9.506 12.473 -11.945) 19.714 6.734 ( 7.670 4.978 -5.890) 10.877 6.925 ( 1.877 -0.099 -3.090) 3.616 7.008 ( 5.528 10.438 -4.545) 12.656 7.164 ( 1.306 -1.216 2.857) 3.368 7.251 ( 2.922 -5.377 3.227) 6.918 7.259 ( 5.619 7.969 1.449) 9.858 7.420 ( -0.434 -7.494 -5.335) 9.209 7.619 ( -5.666 -0.946 3.983) 6.990 7.684 ( -2.619 -5.551 -1.127) 6.240 7.942 ( -3.855 5.639 0.998) 6.903 7.978 ( 0.112 -0.295 5.494) 5.503 8.117 ( -4.358 5.226 3.077) 7.468 8.225 ( -4.845 6.961 5.200) 9.949 8.460 ( -4.530 -7.107 -3.953) 9.309 8.581 ( 3.932 -1.389 0.252) 4.178 8.614 ( -7.484 -5.452 -3.546) 9.915 8.732 ( -1.594 -1.697 -0.637) 2.414 9.044 ( -3.627 1.248 -0.582) 3.880 9.214 ( 2.667 -1.317 1.142) 3.186 9.484 ( 0.662 -0.248 8.974) 9.002 10.282 ( 4.714 -11.359 -9.480) 15.528 10.493 ( 8.293 7.295 6.488) 12.809 10.893 ( 3.463 4.181 2.222) 5.866 11.272 ( 9.413 7.135 0.171) 11.812 11.311 ( 7.234 -3.679 0.449) 8.128 11.465 ( 0.098 5.219 -1.805) 5.523 12.173 ( 9.627 -0.806 0.641) 9.682 12.295 ( -3.099 0.274 0.153) 3.115 12.522 ( -7.467 -3.433 -2.667) 8.640 14.126 ( -0.830 -3.067 -1.008) 3.333 14.351 ( -3.582 -8.074 0.370) 8.841 14.515 ( -1.193 -6.315 -3.468) 7.302 14.642 ( -2.224 -5.213 -0.079) 5.669 14.821 ( 0.409 -6.537 1.241) 6.666 14.963 ( 0.946 -4.892 3.085) 5.861 15.164 ( -1.463 -1.602 -1.736) 2.779 15.357 ( -4.017 -3.269 1.928) 5.526 15.436 ( -1.846 -7.977 0.738) 8.221 15.523 ( -4.383 0.938 1.010) 4.595 15.697 ( 1.678 -8.559 -0.943) 8.773 15.739 ( 0.422 -3.624 0.093) 3.649 24.565 ( 0.889 2.079 -0.941) 2.449 24.661 ( 0.428 0.262 -0.363) 0.619 24.787 ( 3.361 1.120 -0.782) 3.628 24.846 ( 1.964 0.613 -0.770) 2.196 25.203 ( -2.848 0.602 7.594) 8.133 25.323 ( 1.883 -2.584 -3.802) 4.968 25.723 ( 1.541 -0.014 -5.058) 5.288 25.937 ( 3.119 -8.725 12.163) 15.290 26.535 ( -5.320 0.781 -0.795) 5.436 26.762 ( -19.493 -6.496 -7.302) 21.805 26.997 ( -7.048 5.281 3.653) 9.535 27.768 ( -10.029 -14.468 1.088) 17.637 28.812 ( 1.863 6.669 3.001) 7.547 29.071 ( 0.326 -0.885 1.250) 1.566 29.562 ( 9.251 19.515 0.110) 21.597 29.983 ( 16.003 12.298 -11.119) 23.043 ======================= Grid point 176 (94/104) ======================= q-point: (-0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -13.317 29.364 16.455) 36.199 2.336 ( -7.727 23.881 21.841) 33.272 2.759 ( -6.451 18.166 -10.288) 21.851 3.130 ( -7.648 3.808 -7.929) 11.656 3.653 ( -2.506 -10.355 8.295) 13.502 3.788 ( -4.863 4.514 9.487) 11.577 3.915 ( -4.195 16.022 9.731) 19.209 3.955 ( 0.475 4.938 1.845) 5.293 4.148 ( -1.481 -5.338 4.943) 7.424 4.218 ( -2.485 5.682 0.994) 6.281 4.415 ( 0.769 -4.137 -3.460) 5.448 4.510 ( -4.468 10.207 5.823) 12.572 4.617 ( 0.212 -3.906 12.390) 12.992 4.839 ( -6.823 -2.384 -0.150) 7.229 4.952 ( 2.226 4.827 -1.756) 5.598 5.112 ( -6.609 12.213 2.539) 14.117 5.199 ( 8.740 5.123 -6.772) 12.186 5.324 ( -6.256 -7.357 -5.012) 10.881 5.447 ( -4.239 0.530 -1.417) 4.500 5.577 ( -2.458 -0.659 7.158) 7.597 5.673 ( 8.298 -1.017 -4.434) 9.463 5.771 ( 2.985 4.444 -6.397) 8.342 6.016 ( -6.616 8.857 -20.148) 22.981 6.135 ( -1.455 2.692 -5.704) 6.473 6.234 ( 1.089 -3.082 -8.164) 8.794 6.482 ( -0.720 11.068 -6.371) 12.791 6.562 ( 7.509 18.234 -0.262) 19.721 6.824 ( 7.871 6.777 -2.148) 10.607 6.957 ( 3.091 12.000 -3.089) 12.771 7.135 ( -1.473 2.439 -2.036) 3.502 7.176 ( 11.759 5.847 -4.109) 13.761 7.349 ( 0.365 -4.097 6.358) 7.573 7.353 ( 4.399 7.963 -3.526) 9.757 7.453 ( 7.153 1.287 2.198) 7.593 7.569 ( -3.841 -5.080 2.042) 6.688 7.677 ( 3.921 0.123 -2.084) 4.442 7.925 ( 2.427 4.876 -0.108) 5.448 7.981 ( -5.807 5.275 2.573) 8.256 8.046 ( -9.098 3.129 10.491) 14.234 8.186 ( -4.792 -4.988 3.123) 7.589 8.364 ( 1.021 -9.951 -6.062) 11.697 8.440 ( -5.520 -5.262 -4.096) 8.657 8.565 ( -4.729 -0.531 1.100) 4.885 8.738 ( 4.204 0.966 1.932) 4.726 9.004 ( -1.614 -0.319 -0.537) 1.730 9.207 ( -5.985 -0.522 -3.365) 6.886 9.622 ( 3.275 -3.711 13.212) 14.109 10.151 ( -3.752 -6.877 -7.820) 11.069 10.733 ( 7.102 4.371 6.594) 10.631 10.993 ( 4.339 -2.986 -0.424) 5.284 11.283 ( 2.290 0.300 -2.742) 3.585 11.513 ( 4.116 -6.642 -1.097) 7.890 11.564 ( 8.564 6.298 5.390) 11.919 12.194 ( -0.939 -7.821 9.648) 12.455 12.329 ( -8.699 -1.207 -6.283) 10.798 12.459 ( 11.986 5.788 -3.697) 13.814 14.105 ( -0.584 -2.328 0.202) 2.409 14.297 ( -3.463 -6.342 0.678) 7.258 14.481 ( 0.987 -5.357 -3.101) 6.268 14.564 ( -4.230 -2.231 -2.925) 5.606 14.833 ( 0.958 -9.149 -0.502) 9.213 14.943 ( -6.034 -2.162 1.139) 6.510 15.143 ( 1.283 -3.939 -1.333) 4.352 15.258 ( -6.065 -2.125 1.523) 6.604 15.432 ( -1.227 0.634 2.001) 2.432 15.512 ( 1.013 -5.992 1.597) 6.283 15.681 ( -0.830 -3.918 -1.100) 4.154 15.765 ( 1.898 -8.471 -1.947) 8.897 24.581 ( 1.488 1.995 -0.465) 2.532 24.657 ( -0.153 0.671 -1.367) 1.531 24.832 ( 1.585 0.866 0.230) 1.820 24.865 ( 1.344 0.585 -1.279) 1.945 25.218 ( -2.811 1.212 6.298) 7.003 25.322 ( 1.928 -1.524 -4.007) 4.701 25.723 ( 3.156 0.946 -3.376) 4.717 25.986 ( -12.136 -10.814 4.560) 16.883 26.488 ( -0.093 -0.048 2.462) 2.464 26.567 ( 3.820 -4.759 9.476) 11.271 26.880 ( -7.245 4.001 0.526) 8.293 27.547 ( -12.379 -15.595 -4.067) 20.322 28.885 ( 2.224 5.584 3.935) 7.185 29.076 ( -0.296 -0.212 -0.769) 0.851 29.719 ( 5.352 20.108 4.073) 21.203 30.115 ( 11.866 13.923 -16.888) 24.897 ======================= Grid point 177 (95/104) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -1.731 22.785 8.199) 24.277 2.812 ( -0.205 15.070 5.009) 15.882 3.083 ( 2.088 6.849 0.607) 7.186 3.116 ( 1.900 9.101 -1.324) 9.391 3.443 ( 2.464 -6.953 13.415) 15.309 3.672 ( 0.334 -6.685 2.912) 7.299 3.679 ( -1.133 -11.548 2.796) 11.936 3.906 ( -5.365 -15.441 -8.664) 18.500 4.239 ( 1.535 2.700 6.006) 6.762 4.343 ( -3.619 -4.220 1.139) 5.675 4.403 ( -1.220 2.790 5.875) 6.617 4.458 ( 9.261 -3.453 2.773) 10.265 4.779 ( -2.135 7.869 -4.887) 9.506 4.909 ( -3.833 -3.635 -12.586) 13.650 5.045 ( -0.757 8.698 9.574) 12.957 5.136 ( 0.740 -0.603 1.605) 1.867 5.368 ( -1.981 10.723 5.299) 12.124 5.427 ( -2.253 8.214 -0.615) 8.539 5.538 ( -1.006 14.965 4.980) 15.804 5.623 ( 2.081 1.301 6.412) 6.865 5.694 ( 2.588 -2.237 -9.111) 9.732 5.755 ( 0.677 -2.996 -7.736) 8.324 5.938 ( 1.946 -2.346 -9.677) 10.145 6.005 ( 2.222 -8.216 -2.807) 8.962 6.169 ( -0.458 11.193 -7.106) 13.266 6.315 ( -4.750 -1.248 -11.215) 12.243 6.892 ( -0.914 -1.093 2.493) 2.872 6.915 ( 1.507 -3.068 0.812) 3.513 7.224 ( -3.493 5.488 6.468) 9.173 7.268 ( -3.424 -0.260 5.340) 6.349 7.371 ( -2.162 4.995 1.442) 5.631 7.422 ( 2.978 0.406 -4.493) 5.406 7.542 ( 6.171 8.753 -0.432) 10.718 7.620 ( 6.012 6.754 -5.399) 10.531 7.705 ( -4.513 0.492 6.009) 7.531 7.771 ( -17.098 7.814 2.107) 18.916 7.807 ( -1.665 3.933 -2.711) 5.058 7.880 ( 8.073 -4.362 -4.412) 10.181 8.032 ( 3.258 -8.312 2.480) 9.266 8.117 ( 2.877 -6.128 -4.789) 8.292 8.314 ( 3.001 8.311 5.168) 10.236 8.434 ( 0.131 4.610 -4.569) 6.492 8.661 ( 9.012 -0.714 0.826) 9.078 8.732 ( -9.445 -2.574 -4.551) 10.796 9.058 ( 9.533 16.906 7.687) 20.875 9.199 ( -8.603 16.268 -4.831) 19.027 9.535 ( 3.653 -19.722 7.530) 21.424 9.688 ( -3.445 -23.788 -6.529) 24.907 10.915 ( 0.133 4.132 6.235) 7.482 10.986 ( -1.393 -0.046 0.297) 1.426 11.258 ( 3.244 -6.418 0.355) 7.201 11.270 ( -5.185 -5.341 -1.031) 7.515 11.927 ( 4.568 8.941 11.664) 15.390 12.148 ( 1.559 -9.438 10.098) 13.909 12.204 ( -1.386 6.958 -10.457) 12.636 12.423 ( -0.781 -10.322 -12.072) 15.903 14.133 ( 0.478 3.229 4.119) 5.256 14.197 ( -0.433 -1.583 -0.820) 1.835 14.438 ( 2.356 0.058 0.045) 2.357 14.476 ( -1.426 -1.947 -2.860) 3.742 14.799 ( 3.788 1.533 0.871) 4.178 14.819 ( -4.658 1.120 -0.841) 4.864 15.042 ( 0.360 -5.287 -0.225) 5.304 15.068 ( -1.100 -6.813 -2.187) 7.239 15.424 ( -2.111 -0.198 4.605) 5.070 15.457 ( 0.501 -3.405 3.238) 4.726 15.614 ( -0.364 1.194 -2.154) 2.490 15.660 ( 1.352 -2.789 -4.890) 5.789 24.635 ( 0.111 1.112 0.056) 1.118 24.646 ( -0.555 0.169 -0.884) 1.057 24.859 ( -0.527 0.999 0.001) 1.129 24.876 ( 0.911 -0.569 -1.513) 1.855 25.248 ( -3.129 1.657 4.390) 5.640 25.284 ( -1.796 -1.687 1.559) 2.916 25.756 ( -1.956 0.511 0.133) 2.026 25.774 ( 4.005 -1.083 -1.335) 4.359 26.621 ( 6.388 3.235 6.586) 9.729 26.701 ( 6.103 -3.303 4.338) 8.184 26.845 ( -1.157 2.393 -0.429) 2.693 26.989 ( -8.519 -9.943 -8.407) 15.560 29.027 ( -0.024 2.405 2.538) 3.497 29.055 ( -1.077 -0.226 0.289) 1.138 30.141 ( -0.105 10.598 1.296) 10.677 30.250 ( 1.700 0.557 -8.538) 8.723 ======================= Grid point 178 (96/104) ======================= q-point: ( 0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 9.324 17.930 3.813) 20.566 2.991 ( 13.285 12.553 0.609) 18.288 3.130 ( 4.591 15.440 -0.786) 16.128 3.199 ( 8.440 10.835 -5.866) 14.935 3.542 ( -0.136 -6.664 -2.100) 6.989 3.649 ( -0.703 -5.348 -1.544) 5.611 3.712 ( 0.917 -14.270 -0.070) 14.300 3.870 ( 2.142 -14.930 8.822) 17.474 4.180 ( -8.429 -2.249 5.644) 10.391 4.245 ( -3.513 -7.203 -3.404) 8.707 4.466 ( -0.094 8.382 -0.560) 8.401 4.638 ( 7.087 -7.168 -7.317) 12.456 4.840 ( 5.073 7.432 4.226) 9.941 4.859 ( 7.359 5.426 5.371) 10.603 5.097 ( -2.685 -1.869 6.783) 7.530 5.133 ( -2.206 -3.145 1.394) 4.087 5.332 ( -4.821 12.225 -2.489) 13.375 5.428 ( 2.389 11.526 4.883) 12.744 5.477 ( -2.469 5.289 -8.423) 10.248 5.582 ( 3.519 0.049 1.173) 3.710 5.811 ( 6.801 2.077 -4.794) 8.576 5.828 ( 1.962 1.775 7.176) 7.649 5.894 ( 5.432 1.420 -10.013) 11.479 5.993 ( 4.833 -3.337 -1.078) 5.971 6.175 ( -0.186 6.231 -5.612) 8.388 6.273 ( 4.449 -1.591 9.077) 10.233 6.808 ( -8.540 3.365 -0.127) 9.180 6.915 ( -5.588 -5.411 -0.625) 7.804 7.147 ( -14.818 8.125 5.814) 17.871 7.226 ( -7.707 1.810 6.883) 10.491 7.300 ( -3.486 6.640 2.381) 7.868 7.394 ( -9.081 10.464 -5.644) 14.960 7.454 ( 2.192 -4.928 -1.661) 5.644 7.520 ( -5.838 1.077 -7.384) 9.474 7.563 ( -8.044 3.236 3.931) 9.520 7.628 ( -2.150 -2.581 -0.572) 3.408 7.886 ( 3.325 -1.922 5.554) 6.752 7.993 ( 4.190 2.233 -0.375) 4.762 8.139 ( 1.261 -8.615 -2.349) 9.018 8.205 ( 10.853 -4.929 -1.725) 12.043 8.383 ( 2.889 6.541 -4.740) 8.579 8.422 ( 4.466 10.816 1.194) 11.762 8.630 ( 3.358 4.486 -5.047) 7.542 8.874 ( 6.373 -8.874 2.229) 11.150 9.009 ( -1.820 18.990 -5.824) 19.946 9.263 ( 3.719 14.562 5.589) 16.034 9.521 ( -2.516 -22.448 -2.842) 22.767 9.699 ( 1.196 -19.866 3.010) 20.128 10.912 ( -5.731 3.354 -0.171) 6.642 10.948 ( -1.610 1.016 3.707) 4.167 11.205 ( -0.987 0.677 0.847) 1.466 11.325 ( 1.674 -9.175 1.625) 9.467 11.933 ( -8.945 9.631 -8.232) 15.509 12.080 ( -6.692 1.324 8.279) 10.727 12.260 ( 4.513 -4.189 -7.448) 9.663 12.390 ( 7.157 -10.381 0.882) 12.639 14.145 ( -1.574 3.295 0.093) 3.653 14.196 ( 0.884 -0.667 0.579) 1.249 14.416 ( -1.705 1.252 -2.392) 3.193 14.489 ( 2.427 -3.801 0.291) 4.520 14.736 ( -2.953 1.963 0.007) 3.546 14.866 ( 0.370 -7.418 0.808) 7.471 15.044 ( 4.212 0.897 0.716) 4.366 15.150 ( 6.337 -7.030 1.074) 9.525 15.413 ( -3.258 1.328 3.240) 4.783 15.485 ( 0.180 -5.360 1.391) 5.540 15.593 ( -0.313 2.095 -0.673) 2.223 15.653 ( 2.149 -3.182 -3.101) 4.936 24.617 ( -1.653 1.322 0.014) 2.116 24.634 ( -0.908 -0.232 0.684) 1.160 24.839 ( -1.707 1.549 0.190) 2.313 24.869 ( -0.527 -1.128 -0.995) 1.594 25.226 ( -3.522 1.190 4.742) 6.025 25.256 ( -2.995 -1.681 3.044) 4.589 25.772 ( 3.270 4.830 -1.731) 6.084 25.879 ( 7.353 -5.217 -1.141) 9.088 26.598 ( -3.122 2.251 -6.026) 7.151 26.658 ( -4.149 -2.834 -6.432) 8.162 26.970 ( 11.397 3.267 0.900) 11.890 27.119 ( 15.048 -10.109 7.589) 19.652 29.021 ( -2.460 1.755 -0.166) 3.026 29.035 ( -1.614 0.520 2.506) 3.026 30.084 ( -7.551 9.124 1.145) 11.898 30.155 ( -4.606 2.300 -4.868) 7.085 ======================= Grid point 179 (97/104) ======================= q-point: ( 0.20 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.105 17.225 -4.213) 17.733 3.084 ( 8.535 16.774 -11.976) 22.307 3.187 ( 5.336 9.815 -6.171) 12.763 3.445 ( -3.100 -12.096 -3.274) 12.909 3.483 ( 19.444 9.212 7.500) 22.785 3.662 ( 7.736 -6.852 -7.812) 12.954 3.784 ( -3.592 -2.997 6.811) 8.263 3.952 ( 4.712 -13.002 4.139) 14.435 4.134 ( -4.993 0.317 9.968) 11.153 4.245 ( 3.468 -9.286 1.882) 10.090 4.403 ( -2.797 7.225 -3.054) 8.328 4.609 ( -3.516 -10.834 -3.020) 11.784 4.900 ( -7.635 9.457 6.869) 13.961 4.973 ( -9.878 6.082 -4.332) 12.383 5.090 ( 7.879 3.408 9.198) 12.582 5.170 ( 5.241 0.801 2.550) 5.883 5.297 ( 0.233 1.971 2.449) 3.152 5.438 ( 2.810 -3.836 -7.271) 8.688 5.550 ( 9.856 14.942 -4.192) 18.384 5.679 ( 9.438 7.968 -3.767) 12.913 5.884 ( 6.862 -4.801 -11.503) 14.229 5.899 ( 2.849 -7.773 6.503) 10.528 5.990 ( 10.785 8.551 -1.387) 13.833 6.138 ( 6.758 -2.200 3.952) 8.132 6.202 ( 1.370 12.239 6.786) 14.061 6.428 ( -0.220 -3.825 10.409) 11.092 6.558 ( -18.858 4.434 2.709) 19.561 6.658 ( -17.770 -3.884 -0.027) 18.190 6.930 ( -7.040 11.951 -1.424) 13.943 7.052 ( -10.971 0.528 2.557) 11.277 7.271 ( -2.487 0.777 -1.250) 2.890 7.321 ( -4.750 0.583 -6.817) 8.329 7.387 ( 7.036 6.790 1.062) 9.836 7.463 ( -4.779 9.525 2.274) 10.896 7.557 ( 7.268 -8.177 -2.537) 11.230 7.638 ( 4.119 -5.757 -2.867) 7.637 7.966 ( -0.206 -5.196 4.133) 6.642 8.047 ( 1.987 -9.258 5.259) 10.831 8.151 ( 1.484 13.313 2.984) 13.724 8.350 ( 5.371 5.299 -3.655) 8.384 8.426 ( 4.767 -3.461 -0.883) 5.956 8.533 ( 6.893 1.468 -2.201) 7.384 8.653 ( 3.752 6.723 -6.397) 10.011 8.807 ( -4.262 2.033 -3.257) 5.736 9.110 ( 4.809 9.158 0.314) 10.348 9.262 ( -4.932 6.489 1.488) 8.285 9.485 ( 0.460 -14.212 -5.341) 15.190 9.687 ( -7.185 -21.164 7.707) 23.642 10.788 ( -5.794 8.660 -2.710) 10.766 10.944 ( -1.764 -3.286 1.040) 3.872 11.233 ( 0.682 3.215 3.044) 4.480 11.320 ( -3.915 -4.139 0.957) 5.777 11.700 ( -7.550 11.089 -4.690) 14.212 11.936 ( -9.069 -9.438 2.848) 13.395 12.356 ( 6.907 5.006 -2.034) 8.770 12.530 ( 8.580 -7.984 -2.978) 12.093 14.120 ( -0.012 3.492 -1.418) 3.769 14.215 ( 0.304 -2.848 1.118) 3.075 14.383 ( -0.301 1.494 -0.623) 1.647 14.522 ( 1.653 -8.135 -1.400) 8.418 14.714 ( -0.385 1.859 1.597) 2.481 14.855 ( -1.019 -10.479 0.631) 10.547 15.159 ( 4.709 3.681 2.015) 6.308 15.265 ( 1.930 -6.065 2.744) 6.931 15.377 ( -0.673 2.547 0.467) 2.675 15.483 ( -1.731 -7.514 0.586) 7.733 15.600 ( 2.192 3.511 -0.959) 4.248 15.680 ( 3.129 -3.848 -1.740) 5.255 24.592 ( -1.265 1.774 0.740) 2.301 24.623 ( -1.229 -1.047 1.398) 2.135 24.803 ( -2.377 1.938 0.239) 3.077 24.840 ( -1.858 -1.366 -0.464) 2.352 25.212 ( -2.834 1.014 4.804) 5.669 25.244 ( -1.303 -1.997 2.904) 3.757 25.788 ( 0.703 6.114 -4.172) 7.436 25.935 ( 0.256 -7.751 -4.794) 9.118 26.572 ( 5.168 2.106 -2.581) 6.148 26.631 ( 8.499 -3.404 -3.242) 9.712 27.199 ( 10.953 8.808 0.699) 14.072 27.433 ( 12.874 -12.785 3.721) 18.522 28.975 ( -1.743 3.586 -0.491) 4.018 29.025 ( -1.433 -1.043 2.244) 2.859 29.905 ( -11.604 10.097 -0.410) 15.388 30.001 ( -9.641 0.966 -0.638) 9.710 ======================= Grid point 180 (98/104) ======================= q-point: ( 0.30 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -0.448 11.295 -3.638) 11.875 3.040 ( 0.259 6.758 -3.965) 7.840 3.289 ( 6.903 11.737 -4.061) 14.209 3.429 ( 3.401 -2.886 -3.734) 5.817 3.634 ( -3.585 -3.521 -1.123) 5.149 3.649 ( 2.713 -4.476 -9.596) 10.931 3.977 ( 4.258 13.593 6.255) 15.557 4.086 ( -0.787 5.002 14.014) 14.901 4.195 ( 10.637 -6.637 3.568) 13.036 4.279 ( -6.887 -9.810 2.951) 12.344 4.379 ( -0.724 -1.269 6.178) 6.348 4.499 ( -2.291 -8.131 0.667) 8.474 4.750 ( -5.897 6.102 -8.322) 11.885 4.799 ( -4.054 1.684 -4.651) 6.395 5.247 ( -0.448 4.905 0.396) 4.941 5.280 ( -1.454 3.037 6.829) 7.614 5.322 ( -2.372 0.393 1.045) 2.621 5.380 ( 1.002 -4.796 5.811) 7.601 5.676 ( 6.389 15.258 -5.373) 17.392 5.852 ( 11.716 6.977 -3.933) 14.192 5.909 ( 2.094 -0.918 -10.177) 10.431 5.982 ( 0.007 -2.396 4.816) 5.379 6.102 ( 1.366 6.701 -2.527) 7.291 6.213 ( -1.266 -2.745 -1.002) 3.185 6.296 ( -5.343 5.530 8.211) 11.249 6.347 ( -1.273 -0.281 6.592) 6.720 6.365 ( -0.832 4.745 1.645) 5.090 6.508 ( -0.930 -7.866 8.561) 11.663 6.969 ( 4.384 5.031 2.484) 7.121 6.995 ( 6.008 2.000 -0.071) 6.332 7.211 ( 0.521 1.871 -5.541) 5.872 7.250 ( 0.947 -0.739 -2.204) 2.510 7.408 ( -0.085 12.051 -3.150) 12.456 7.502 ( 4.838 5.785 -2.624) 7.985 7.688 ( 9.174 -6.550 -2.865) 11.631 7.695 ( 5.518 -8.605 -3.965) 10.964 7.977 ( -1.787 4.697 1.999) 5.408 8.147 ( 1.728 -8.445 4.547) 9.746 8.234 ( 4.562 10.090 1.421) 11.164 8.396 ( 4.784 5.600 -1.574) 7.531 8.471 ( -0.274 -7.404 -1.106) 7.491 8.586 ( 3.310 -8.104 -6.805) 11.088 8.680 ( 2.693 9.491 0.272) 9.869 8.694 ( -6.216 4.332 -1.584) 7.741 9.039 ( -9.169 5.656 1.444) 10.870 9.264 ( 0.624 3.759 2.516) 4.566 9.390 ( -6.696 -8.008 -1.036) 10.490 9.601 ( -7.647 -18.423 3.486) 20.249 10.674 ( -3.580 10.358 -2.323) 11.203 10.881 ( -4.480 -7.161 -2.256) 8.743 11.200 ( -9.526 4.626 2.030) 10.783 11.225 ( -5.533 2.503 4.301) 7.441 11.654 ( 2.904 10.205 2.622) 10.930 11.864 ( -2.601 -7.245 4.173) 8.756 12.444 ( 6.391 6.085 -4.595) 9.949 12.638 ( 8.044 -8.215 -7.103) 13.515 14.126 ( 1.908 2.823 -0.743) 3.487 14.232 ( 0.186 -4.058 1.797) 4.442 14.391 ( 1.135 -0.749 0.673) 1.518 14.526 ( 1.099 -10.208 -2.811) 10.645 14.740 ( 0.774 1.532 2.491) 3.024 14.853 ( -0.124 -8.033 1.147) 8.116 15.185 ( -4.844 2.583 -1.227) 5.625 15.243 ( -2.462 -1.317 3.395) 4.396 15.437 ( 3.292 -3.386 0.689) 4.772 15.438 ( -1.981 -4.874 -0.999) 5.355 15.653 ( 4.398 2.615 -1.110) 5.235 15.729 ( 3.971 -4.108 -1.900) 6.021 24.587 ( -0.243 1.671 1.183) 2.062 24.618 ( -0.900 -1.154 1.701) 2.244 24.761 ( -2.245 1.994 0.138) 3.006 24.796 ( -2.436 -1.173 -0.194) 2.711 25.209 ( -2.449 1.471 4.789) 5.577 25.255 ( -0.187 -2.784 1.854) 3.350 25.736 ( -0.956 4.143 -4.803) 6.415 25.844 ( -2.296 -5.944 -7.093) 9.534 26.713 ( 9.235 5.372 2.051) 10.879 26.854 ( 13.445 -7.767 3.227) 15.859 27.352 ( 6.137 12.137 -1.848) 13.725 27.638 ( 7.577 -14.243 -0.503) 16.141 28.965 ( 1.486 5.111 -0.592) 5.355 29.037 ( 0.925 -1.582 1.783) 2.557 29.679 ( -12.418 10.533 -0.079) 16.284 29.799 ( -11.657 -0.788 -0.239) 11.686 ======================= Grid point 181 (99/104) ======================= q-point: ( 0.40 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 1.040 8.833 5.457) 10.435 3.078 ( 2.002 0.687 7.368) 7.666 3.350 ( 5.096 10.948 -6.121) 13.539 3.453 ( 3.296 4.053 -5.216) 7.382 3.576 ( -0.364 -2.053 1.025) 2.324 3.661 ( 6.510 -5.648 -8.610) 12.183 3.801 ( -14.311 13.485 4.285) 20.125 4.051 ( -14.123 -8.857 -0.474) 16.677 4.256 ( -1.996 3.453 -4.379) 5.923 4.363 ( 5.292 -2.920 -2.121) 6.405 4.476 ( 3.676 1.866 11.489) 12.206 4.575 ( 1.750 1.414 -0.263) 2.266 4.644 ( 2.631 -2.146 1.822) 3.853 4.704 ( -0.881 -4.784 -2.065) 5.285 5.096 ( -10.714 3.610 -2.871) 11.664 5.171 ( -4.968 -2.496 -4.686) 7.271 5.382 ( 0.533 7.505 4.365) 8.698 5.504 ( 0.879 -0.896 12.081) 12.146 5.664 ( -5.613 13.246 2.282) 14.566 5.799 ( -2.232 7.882 -4.532) 9.362 5.864 ( -5.006 -0.375 3.197) 5.952 6.034 ( -8.321 -11.370 5.363) 15.076 6.147 ( 5.255 1.885 -2.743) 6.221 6.157 ( 11.326 3.984 -4.873) 12.957 6.325 ( 3.635 2.192 3.154) 5.288 6.429 ( 4.106 -5.846 3.561) 7.982 6.612 ( 14.516 9.919 5.891) 18.542 6.702 ( 6.798 2.457 8.807) 11.393 6.957 ( -3.111 -1.118 -5.960) 6.816 7.036 ( 1.091 -1.807 -1.206) 2.431 7.254 ( 5.444 12.211 -1.059) 13.411 7.349 ( 7.470 8.814 -2.502) 11.821 7.425 ( 4.842 4.368 -5.541) 8.557 7.524 ( 5.336 -10.005 -4.744) 12.291 7.752 ( 6.222 -0.147 -7.424) 9.688 7.804 ( 2.546 -2.711 -1.577) 4.040 7.914 ( -3.085 6.789 -3.891) 8.411 8.137 ( -4.617 -10.799 -4.933) 12.738 8.291 ( 0.912 6.598 -0.476) 6.678 8.416 ( -8.292 6.854 2.982) 11.164 8.429 ( 0.708 -4.221 -2.234) 4.828 8.600 ( 4.973 1.473 1.471) 5.391 8.618 ( 0.722 -1.382 -1.757) 2.349 8.743 ( 4.332 -3.056 -2.130) 5.714 8.913 ( -6.363 3.151 3.424) 7.882 9.156 ( -11.406 -13.539 0.924) 17.727 9.370 ( 1.003 6.647 5.112) 8.446 9.504 ( -5.027 -5.796 2.455) 8.055 10.625 ( -1.012 7.301 0.883) 7.424 10.766 ( -5.409 -4.379 -1.094) 7.045 11.077 ( -4.924 4.844 1.913) 7.167 11.141 ( -7.090 -0.169 3.968) 8.127 11.765 ( 3.471 9.548 5.435) 11.522 11.889 ( 0.737 0.593 2.998) 3.144 12.507 ( 5.171 3.477 -4.613) 7.753 12.681 ( 5.053 -8.458 -9.733) 13.850 14.175 ( 3.177 2.025 0.875) 3.867 14.248 ( -0.876 -3.958 2.332) 4.677 14.430 ( 1.555 -3.448 1.643) 4.124 14.521 ( 1.915 -10.250 -3.508) 11.002 14.772 ( 0.125 1.960 2.187) 2.940 14.869 ( 0.471 -2.376 1.052) 2.641 15.057 ( -5.592 -0.800 -1.554) 5.859 15.192 ( -5.517 -8.607 0.394) 10.231 15.415 ( 0.355 1.308 0.144) 1.363 15.474 ( 0.582 -3.414 -0.668) 3.527 15.724 ( 3.757 1.172 -0.494) 3.966 15.778 ( 2.999 -3.493 -2.140) 5.077 24.602 ( 0.547 1.098 1.116) 1.658 24.619 ( -0.797 -0.515 1.645) 1.899 24.730 ( -1.042 1.519 -0.008) 1.842 24.753 ( -1.905 -0.561 -0.211) 1.997 25.209 ( -2.571 1.879 4.985) 5.916 25.266 ( -0.096 -3.363 0.943) 3.494 25.686 ( -0.111 2.036 -3.478) 4.031 25.755 ( -0.362 -4.378 -6.267) 7.653 26.908 ( 7.864 8.289 5.051) 12.492 27.112 ( 8.868 -10.556 4.912) 14.636 27.398 ( 2.293 12.877 -2.516) 13.319 27.693 ( 0.907 -14.247 -4.237) 14.891 29.021 ( 4.755 5.997 -0.297) 7.659 29.089 ( 2.242 -0.084 1.677) 2.801 29.474 ( -9.119 8.849 0.330) 12.711 29.591 ( -9.588 -1.884 -1.558) 9.894 ======================= Grid point 182 (100/104) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -1.899 10.071 10.336) 14.555 3.210 ( 2.364 -1.268 9.428) 9.803 3.339 ( 1.133 10.147 -9.771) 14.133 3.447 ( 0.594 3.352 -5.365) 6.354 3.606 ( -7.395 9.673 3.198) 12.589 3.654 ( 6.065 0.803 2.201) 6.501 3.736 ( 7.676 -4.234 -5.167) 10.176 3.813 ( -8.823 -8.079 -3.362) 12.426 4.189 ( -0.822 0.490 -0.924) 1.331 4.248 ( -6.215 -4.554 -5.535) 9.487 4.612 ( 1.895 5.240 5.627) 7.919 4.644 ( 0.605 6.139 4.881) 7.866 4.708 ( -0.868 -0.696 4.431) 4.568 4.753 ( 3.796 -4.209 1.863) 5.966 4.926 ( -3.281 5.661 -3.428) 7.387 5.044 ( 0.520 -5.156 -8.829) 10.238 5.412 ( -1.297 6.418 5.299) 8.423 5.535 ( -2.250 -4.094 -4.873) 6.751 5.661 ( -1.257 9.845 12.783) 16.184 5.760 ( -0.537 4.710 0.081) 4.741 5.870 ( 0.473 -1.374 7.371) 7.513 5.958 ( -7.468 -9.245 11.044) 16.224 6.214 ( 3.672 6.767 -10.074) 12.679 6.242 ( 2.492 5.514 -0.969) 6.128 6.457 ( 7.635 0.148 0.122) 7.638 6.507 ( 0.889 -4.424 -1.296) 4.695 6.706 ( 0.799 6.631 -2.208) 7.035 6.818 ( -3.269 0.603 -8.013) 8.676 6.956 ( 7.815 11.882 11.680) 18.403 7.180 ( 7.990 -3.731 2.026) 9.048 7.210 ( -4.982 15.957 -4.350) 17.273 7.426 ( 4.818 -5.820 -9.174) 11.885 7.488 ( 4.638 6.581 1.325) 8.159 7.580 ( -4.592 -1.237 -5.022) 6.916 7.660 ( -7.240 -0.279 0.380) 7.255 7.713 ( -4.463 -1.911 -4.398) 6.551 7.902 ( 1.019 -6.720 -0.638) 6.827 7.952 ( -4.945 -7.444 -4.755) 10.123 8.283 ( -5.750 8.212 1.986) 10.219 8.313 ( 5.333 9.639 -1.278) 11.090 8.522 ( -7.381 -9.168 1.669) 11.888 8.537 ( 7.001 -5.434 0.100) 8.863 8.712 ( 1.666 4.518 -0.387) 4.831 8.761 ( 0.181 0.251 -4.631) 4.641 8.926 ( 3.491 -3.466 4.989) 7.007 9.000 ( -3.366 -7.050 -1.544) 7.964 9.441 ( 0.172 3.476 5.020) 6.109 9.483 ( 1.359 -0.316 1.298) 1.906 10.647 ( 0.711 4.425 2.613) 5.188 10.693 ( -0.321 0.958 -1.498) 1.807 11.066 ( -0.443 -0.056 2.247) 2.291 11.067 ( -1.437 0.769 2.025) 2.600 11.854 ( 0.562 9.384 5.531) 10.907 11.914 ( -0.652 5.686 0.887) 5.791 12.543 ( 2.120 -1.163 -2.156) 3.240 12.640 ( 0.705 -7.216 -10.159) 12.481 14.211 ( -3.775 -0.305 3.979) 5.493 14.261 ( 2.450 -4.589 -0.239) 5.208 14.464 ( 0.714 -3.270 1.199) 3.555 14.529 ( 2.356 -7.935 -4.304) 9.329 14.789 ( -1.360 5.033 3.572) 6.320 14.860 ( -0.165 5.747 -2.330) 6.204 15.024 ( 1.799 -11.910 3.053) 12.426 15.085 ( -4.419 -10.984 -1.676) 11.958 15.437 ( 0.889 0.863 1.086) 1.648 15.456 ( -1.359 -0.900 -0.786) 1.809 15.767 ( 1.029 -0.285 -0.276) 1.103 15.788 ( 0.341 -2.166 -2.270) 3.156 24.616 ( -0.969 0.667 1.275) 1.735 24.623 ( 0.626 0.048 0.720) 0.955 24.722 ( -0.263 1.026 0.222) 1.082 24.734 ( 0.886 -0.039 -0.812) 1.202 25.206 ( -3.061 2.000 5.470) 6.580 25.267 ( -0.686 -3.591 0.836) 3.750 25.669 ( 1.114 0.681 -2.257) 2.607 25.714 ( 1.677 -3.453 -5.458) 6.673 27.074 ( 4.082 8.686 6.388) 11.529 27.180 ( -3.178 2.810 -2.196) 4.777 27.466 ( 4.619 -3.024 4.316) 7.008 27.601 ( -5.035 -11.471 -6.782) 14.245 29.089 ( -4.404 5.108 1.924) 7.014 29.099 ( 0.912 4.296 1.352) 4.595 29.405 ( 0.783 4.783 1.151) 4.981 29.476 ( 3.099 -1.631 -4.773) 5.920 ======================= Grid point 183 (101/104) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -10.493 17.155 3.683) 20.444 3.250 ( -2.011 9.382 -3.162) 10.103 3.297 ( -2.993 -5.223 3.111) 6.776 3.339 ( -3.451 3.104 -5.944) 7.541 3.528 ( -3.227 1.665 -0.093) 3.632 3.647 ( -1.865 -6.645 -4.624) 8.308 3.875 ( 14.230 5.059 3.114) 15.420 3.963 ( 13.127 -2.371 7.103) 15.113 4.134 ( -2.499 2.406 3.241) 4.747 4.231 ( 1.259 -5.346 4.719) 7.241 4.588 ( -4.339 6.115 -1.430) 7.633 4.675 ( -3.472 1.033 -1.808) 4.048 4.695 ( -2.117 -0.067 2.576) 3.335 4.770 ( -0.104 -4.135 -6.799) 7.958 4.994 ( 7.900 4.267 6.365) 11.005 5.054 ( 5.846 -1.796 -3.109) 6.861 5.412 ( -3.546 5.693 0.799) 6.754 5.489 ( -1.194 -3.357 4.715) 5.910 5.721 ( -3.919 6.859 8.790) 11.818 5.770 ( 1.410 11.496 -2.114) 11.773 5.898 ( -6.650 -8.481 7.076) 12.892 5.974 ( 0.628 -5.776 5.162) 7.772 6.142 ( 1.676 9.079 -8.615) 12.627 6.273 ( 4.053 0.127 -4.832) 6.308 6.412 ( -3.924 5.387 -5.914) 8.911 6.538 ( -1.673 0.069 2.739) 3.210 6.674 ( -2.681 2.028 -11.175) 11.670 6.792 ( 4.730 -4.754 2.792) 7.264 6.942 ( -6.761 12.726 -8.666) 16.815 7.149 ( -8.593 -2.910 -6.184) 10.979 7.261 ( -2.916 7.765 2.615) 8.697 7.296 ( -2.798 8.461 0.869) 8.954 7.364 ( -0.742 8.038 -3.626) 8.849 7.494 ( -3.162 -10.495 -2.088) 11.158 7.598 ( -6.796 2.481 5.072) 8.835 7.742 ( 1.762 -4.710 4.317) 6.627 7.825 ( -3.517 0.019 1.950) 4.022 7.993 ( 3.024 -10.494 6.307) 12.612 8.264 ( -0.341 3.948 2.744) 4.821 8.388 ( 0.203 -3.915 1.279) 4.124 8.496 ( 6.512 7.492 -2.911) 10.345 8.587 ( -2.662 4.376 0.303) 5.131 8.653 ( -3.822 0.524 -3.413) 5.151 8.726 ( 0.733 -0.646 -1.251) 1.588 8.982 ( 3.983 -1.967 -1.666) 4.745 9.131 ( 11.976 -11.800 2.683) 17.025 9.444 ( -2.126 5.126 -0.246) 5.555 9.541 ( 3.296 -3.524 -0.697) 4.875 10.644 ( -0.733 6.165 -0.395) 6.221 10.751 ( 4.443 -2.688 0.140) 5.195 11.078 ( 3.451 5.678 1.716) 6.862 11.163 ( 5.864 -1.772 2.095) 6.474 11.862 ( -4.011 8.439 -1.652) 9.488 11.902 ( 0.467 5.421 2.546) 6.007 12.530 ( -3.243 -3.886 -7.495) 9.044 12.546 ( -1.168 -5.162 0.884) 5.366 14.150 ( -5.205 0.363 2.486) 5.779 14.281 ( -1.026 -9.547 0.703) 9.627 14.473 ( 0.368 -2.782 -2.260) 3.603 14.520 ( 0.955 -5.280 -3.644) 6.486 14.785 ( -1.210 7.016 2.588) 7.575 14.870 ( 1.117 3.244 -0.208) 3.437 15.034 ( 0.908 -8.154 -0.203) 8.207 15.133 ( 4.685 -12.798 4.998) 14.516 15.416 ( -2.124 1.914 0.045) 2.859 15.463 ( 0.283 -2.140 0.953) 2.360 15.739 ( -2.830 0.185 -1.663) 3.287 15.765 ( -1.140 -1.919 -1.197) 2.533 24.610 ( -0.521 1.430 0.477) 1.595 24.635 ( 0.171 -0.914 0.387) 1.007 24.733 ( 1.704 1.880 -0.388) 2.567 24.761 ( 2.511 -0.633 -0.779) 2.704 25.201 ( -3.187 1.828 5.983) 7.021 25.259 ( -1.194 -3.483 1.370) 3.928 25.682 ( 2.026 -0.186 -1.309) 2.419 25.709 ( 2.614 -2.599 -4.482) 5.803 27.026 ( -8.729 8.440 -5.110) 13.174 27.147 ( -2.812 1.432 3.550) 4.750 27.410 ( -8.006 -1.077 -5.189) 9.601 27.575 ( 0.633 -11.964 6.101) 13.445 28.993 ( -5.997 6.460 1.849) 9.006 29.073 ( -4.678 -0.777 2.626) 5.421 29.505 ( 10.285 8.448 -1.883) 13.442 29.615 ( 13.406 -1.536 -3.369) 13.908 ======================= Grid point 184 (102/104) ======================= q-point: (-0.30 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -12.554 20.496 5.453) 24.646 3.105 ( -6.788 10.732 -6.909) 14.457 3.177 ( -7.492 -0.587 4.370) 8.693 3.353 ( -0.166 -3.468 4.123) 5.390 3.478 ( -3.404 -0.053 1.991) 3.944 3.649 ( 3.700 -8.773 -1.599) 9.655 4.095 ( 3.611 10.633 -4.165) 11.977 4.151 ( -2.304 3.526 7.669) 8.749 4.292 ( 1.689 -3.545 1.574) 4.230 4.302 ( 12.166 -3.031 2.994) 12.890 4.486 ( -6.025 1.944 -3.934) 7.453 4.563 ( -3.243 2.110 2.943) 4.861 4.616 ( -4.012 -5.892 -3.185) 7.808 4.703 ( 4.597 -6.972 -6.108) 10.346 5.115 ( -3.488 8.734 9.155) 13.125 5.225 ( 7.095 -1.970 6.411) 9.763 5.363 ( -0.806 9.738 0.197) 9.773 5.493 ( -3.768 -2.874 2.881) 5.545 5.645 ( -10.603 5.531 -3.446) 12.445 5.682 ( -7.976 2.985 8.023) 11.700 5.860 ( -3.828 7.908 -0.667) 8.811 6.034 ( 0.757 -3.309 0.315) 3.409 6.119 ( 1.787 4.262 -2.237) 5.135 6.261 ( -0.356 -7.153 -7.146) 10.117 6.357 ( 0.091 12.691 -0.718) 12.711 6.525 ( 4.416 3.724 -2.086) 6.142 6.561 ( 7.958 -0.149 -11.739) 14.183 6.696 ( -1.911 -2.577 -12.244) 12.657 6.951 ( 2.499 1.116 4.413) 5.192 7.008 ( -1.731 -2.975 0.483) 3.476 7.140 ( -8.487 -0.439 0.641) 8.522 7.232 ( 0.302 9.415 -3.961) 10.219 7.335 ( -6.995 -3.121 3.688) 8.502 7.479 ( 2.613 10.897 -0.765) 11.232 7.587 ( -0.078 -7.840 3.257) 8.490 7.661 ( -5.615 -5.430 -0.108) 7.812 7.938 ( 5.511 8.231 5.375) 11.270 8.103 ( 1.245 -3.071 7.191) 7.918 8.263 ( -1.089 6.522 -0.541) 6.634 8.399 ( -6.562 2.902 -0.067) 7.176 8.441 ( 1.021 -6.905 0.179) 6.982 8.511 ( -7.009 -4.951 -0.063) 8.581 8.681 ( 1.943 5.277 -1.717) 5.879 8.742 ( 4.732 5.770 -4.021) 8.476 9.061 ( 5.810 5.778 -0.250) 8.198 9.309 ( -0.603 -4.484 -0.172) 4.528 9.382 ( -0.607 2.434 -0.310) 2.528 9.643 ( 10.826 -19.168 -0.188) 22.015 10.633 ( -0.362 8.894 0.903) 8.947 10.817 ( 1.901 -7.008 2.561) 7.700 11.206 ( 7.013 7.174 1.504) 10.144 11.273 ( 3.977 0.357 0.752) 4.063 11.740 ( -5.234 10.589 -3.982) 12.465 11.948 ( 3.842 -6.005 -2.225) 7.468 12.412 ( -3.103 2.745 -2.789) 4.994 12.522 ( -3.043 -5.808 2.149) 6.900 14.090 ( -3.409 1.215 2.123) 4.196 14.249 ( -2.698 -10.852 0.866) 11.216 14.442 ( -0.068 -1.177 -3.772) 3.952 14.508 ( 0.484 -5.939 -1.555) 6.158 14.786 ( -0.197 2.930 -0.966) 3.091 14.871 ( -0.261 -1.994 -0.130) 2.015 15.109 ( 3.660 0.718 4.252) 5.656 15.248 ( 2.622 -8.492 3.714) 9.633 15.382 ( -2.791 1.011 1.756) 3.449 15.461 ( -0.924 -5.303 0.084) 5.384 15.664 ( -2.696 2.699 -1.873) 4.250 15.725 ( -1.427 -2.641 -1.500) 3.356 24.607 ( 0.272 1.886 -0.461) 1.960 24.641 ( 0.462 -1.198 -0.133) 1.291 24.772 ( 2.927 1.973 -0.811) 3.622 24.804 ( 2.918 -0.915 -0.895) 3.186 25.205 ( -2.446 1.556 6.103) 6.757 25.255 ( -0.737 -3.064 1.788) 3.623 25.711 ( 2.577 -0.366 -2.152) 3.377 25.731 ( 2.357 -2.172 0.505) 3.244 26.795 ( -10.900 6.825 -4.923) 13.771 26.967 ( -13.813 -9.366 -5.920) 17.708 27.289 ( -5.739 12.806 3.223) 14.398 27.581 ( -5.441 -14.254 4.457) 15.895 28.933 ( -2.310 6.099 1.966) 6.812 29.027 ( -2.300 -2.742 2.304) 4.256 29.705 ( 12.972 11.378 -2.217) 17.396 29.851 ( 15.575 -1.860 -4.133) 16.221 ======================= Grid point 185 (103/104) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -8.704 23.091 14.543) 28.644 2.962 ( -6.837 22.239 2.420) 23.392 3.098 ( -6.083 -2.973 5.390) 8.654 3.377 ( -1.437 -9.588 2.846) 10.104 3.411 ( -9.278 -0.138 7.362) 11.844 3.623 ( -10.749 -12.655 0.007) 16.604 3.975 ( 1.718 4.682 -9.960) 11.139 4.059 ( -7.551 -3.236 -4.962) 9.597 4.297 ( -5.248 6.250 -6.783) 10.612 4.318 ( -0.105 -0.048 -0.127) 0.171 4.368 ( -1.381 -5.339 -2.424) 6.024 4.482 ( -7.983 -8.218 5.927) 12.899 4.803 ( 12.941 5.902 8.462) 16.550 4.886 ( 8.773 -1.824 6.849) 11.278 5.068 ( -10.802 17.367 11.285) 23.360 5.307 ( -2.250 -3.693 0.596) 4.365 5.342 ( -5.117 1.974 -2.652) 6.092 5.429 ( 0.787 1.981 -5.377) 5.784 5.456 ( -1.332 7.757 -2.923) 8.396 5.618 ( -7.526 -0.718 5.748) 9.497 5.763 ( -0.603 4.018 -3.622) 5.443 5.918 ( -10.648 7.232 3.903) 13.451 6.080 ( -1.679 -2.613 -7.425) 8.049 6.205 ( -3.163 -4.582 -4.651) 7.255 6.413 ( 4.753 11.245 -5.474) 13.380 6.614 ( 8.466 3.523 -8.470) 12.483 6.673 ( 9.272 1.589 -6.044) 11.182 6.745 ( 14.319 -3.852 -6.506) 16.192 6.973 ( 4.464 3.876 -3.782) 7.018 7.071 ( 10.085 -3.141 0.274) 10.566 7.118 ( 0.103 -4.723 9.211) 10.352 7.166 ( -4.780 -10.654 7.640) 13.954 7.355 ( 2.200 13.989 1.779) 14.272 7.513 ( 2.087 7.176 -1.811) 7.690 7.563 ( -1.066 -2.013 -1.000) 2.487 7.637 ( 2.964 -2.699 -2.873) 4.932 8.018 ( 1.073 5.596 -1.745) 5.959 8.151 ( -1.593 4.522 2.383) 5.354 8.206 ( -2.894 3.205 -4.617) 6.322 8.288 ( -4.167 3.257 -0.120) 5.290 8.388 ( -9.449 -5.964 5.078) 12.273 8.459 ( -1.363 -7.100 0.308) 7.236 8.624 ( -2.455 10.414 -2.010) 10.886 8.772 ( 1.589 0.761 -1.315) 2.199 9.108 ( -5.643 7.131 0.853) 9.134 9.262 ( 1.109 3.831 1.366) 4.215 9.394 ( 0.483 -1.254 2.828) 3.131 9.835 ( 8.435 -27.874 -4.873) 29.527 10.678 ( 2.802 10.212 5.587) 11.973 10.886 ( 1.641 -7.137 5.235) 9.002 11.275 ( -1.000 2.494 0.214) 2.695 11.334 ( 2.618 -1.065 0.091) 2.828 11.665 ( 1.203 13.020 -1.083) 13.120 11.961 ( -0.517 -13.642 -1.207) 13.705 12.403 ( 4.725 4.624 -4.367) 7.924 12.477 ( -3.108 -1.996 0.957) 3.815 14.069 ( -1.178 1.852 2.413) 3.262 14.214 ( -1.971 -8.618 1.291) 8.934 14.415 ( 0.705 0.581 -3.158) 3.287 14.508 ( 0.424 -6.985 -0.305) 7.004 14.760 ( -0.375 2.474 -2.477) 3.520 14.870 ( 0.398 -6.212 -0.351) 6.234 15.168 ( -2.078 3.586 1.866) 4.545 15.285 ( -3.542 -6.452 1.833) 7.585 15.340 ( -0.837 2.179 2.466) 3.395 15.441 ( -2.342 -6.990 2.347) 7.737 15.633 ( 1.323 2.767 -2.488) 3.949 15.696 ( 0.416 -2.601 -2.679) 3.757 24.612 ( 1.001 2.143 -0.966) 2.555 24.650 ( 0.893 -1.260 -0.763) 1.722 24.818 ( 2.920 1.587 -1.060) 3.488 24.845 ( 2.319 -0.748 -1.004) 2.635 25.224 ( -1.298 1.434 5.217) 5.564 25.266 ( 0.355 -2.465 1.192) 2.761 25.739 ( 1.929 1.601 -0.830) 2.641 25.799 ( 1.535 -4.357 5.161) 6.926 26.572 ( -8.559 2.658 -2.295) 9.251 26.646 ( -13.673 -4.327 -4.271) 14.963 27.189 ( -8.438 11.423 1.868) 14.324 27.462 ( -10.118 -13.967 1.028) 17.277 28.943 ( 0.914 5.306 2.160) 5.801 29.030 ( 0.274 -2.938 1.679) 3.395 29.914 ( 11.468 12.853 -1.773) 17.317 30.081 ( 14.349 -2.309 -6.355) 15.862 ======================= Grid point 186 (104/104) ======================= q-point: (-0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -7.123 24.454 14.597) 29.356 2.871 ( -9.417 25.053 8.427) 28.060 3.054 ( -2.284 2.736 3.386) 4.916 3.224 ( -13.023 7.130 -0.535) 14.857 3.346 ( -4.507 -16.325 10.348) 19.847 3.522 ( 0.159 -17.886 7.985) 19.588 3.867 ( -6.728 -0.733 -8.154) 10.596 3.999 ( 2.745 -8.810 -4.833) 10.417 4.171 ( -1.609 4.631 -0.016) 4.902 4.287 ( 2.490 -4.198 -4.593) 6.702 4.373 ( 1.307 0.461 2.514) 2.870 4.443 ( -6.999 -5.991 10.335) 13.846 4.923 ( -6.266 9.310 -0.377) 11.228 5.000 ( -3.700 15.405 8.596) 18.025 5.064 ( 1.494 2.773 6.982) 7.660 5.133 ( -7.748 -3.855 -8.181) 11.909 5.317 ( 6.050 5.768 -2.416) 8.701 5.438 ( -1.611 -2.855 7.118) 7.836 5.482 ( 1.059 15.138 0.254) 15.178 5.543 ( 3.876 1.037 -8.061) 9.005 5.731 ( -3.571 2.206 0.032) 4.197 5.859 ( 2.576 6.751 -1.137) 7.314 5.975 ( -2.200 -12.089 -6.361) 13.837 6.052 ( -4.398 -4.978 -9.299) 11.428 6.340 ( -1.718 9.257 -13.710) 16.631 6.520 ( -5.328 -5.163 -11.223) 13.453 6.797 ( 6.379 5.542 0.239) 8.453 6.899 ( 4.042 -3.470 -0.564) 5.357 7.177 ( 3.791 0.298 5.603) 6.772 7.203 ( 3.592 4.553 11.788) 13.138 7.267 ( 13.442 4.860 -1.528) 14.375 7.364 ( 13.252 -0.289 3.756) 13.777 7.387 ( 4.342 4.351 -3.888) 7.274 7.477 ( 0.340 0.038 -3.537) 3.554 7.628 ( 6.758 6.423 -0.645) 9.346 7.701 ( 8.399 0.681 -4.517) 9.561 7.984 ( -4.720 0.476 -0.444) 4.764 8.043 ( -6.350 -5.816 -6.264) 10.648 8.079 ( -10.153 2.931 1.842) 10.727 8.209 ( -6.343 -0.419 -3.192) 7.114 8.258 ( -4.648 4.064 6.013) 8.618 8.431 ( -0.197 -2.801 0.128) 2.811 8.607 ( 1.237 13.329 -2.168) 13.560 8.842 ( 5.468 4.565 4.338) 8.340 8.953 ( -10.085 4.391 -0.335) 11.004 9.300 ( -0.517 -0.287 3.950) 3.994 9.433 ( 0.453 -4.101 1.685) 4.457 9.821 ( -2.550 -23.380 -6.513) 24.404 10.816 ( 4.036 5.905 7.083) 10.067 10.959 ( 1.599 -4.281 3.538) 5.780 11.236 ( -0.498 0.935 -1.620) 1.935 11.353 ( -1.225 -7.478 -0.982) 7.641 11.751 ( 4.495 10.360 6.494) 13.027 11.983 ( 1.185 -11.091 8.822) 14.221 12.363 ( -2.195 4.737 -8.996) 10.401 12.482 ( 3.704 -4.110 -5.945) 8.121 14.088 ( 0.323 3.070 3.169) 4.423 14.203 ( -0.781 -5.277 1.346) 5.502 14.411 ( 1.512 1.346 -1.890) 2.770 14.508 ( -0.074 -5.829 -1.087) 5.930 14.748 ( 1.480 3.025 -1.285) 3.604 14.875 ( -0.269 -6.334 -0.021) 6.339 15.085 ( -4.632 1.415 -2.554) 5.475 15.174 ( -6.730 -5.183 -0.483) 8.508 15.396 ( 1.072 -0.633 4.233) 4.412 15.430 ( -1.950 -3.366 4.113) 5.661 15.635 ( 1.009 1.106 -2.960) 3.317 15.681 ( 1.318 -2.434 -4.522) 5.302 24.625 ( 1.161 1.926 -0.714) 2.360 24.656 ( 0.551 -0.819 -1.078) 1.462 24.853 ( 1.675 0.961 -0.802) 2.091 24.868 ( 1.366 -0.324 -1.195) 1.844 25.247 ( -1.206 1.560 4.145) 4.590 25.284 ( 0.552 -1.857 0.441) 1.987 25.754 ( 0.370 2.108 -0.571) 2.215 25.824 ( -4.629 -4.892 3.487) 7.584 26.492 ( 0.069 0.428 2.894) 2.927 26.510 ( 1.407 -1.388 4.917) 5.299 27.018 ( -9.763 8.734 -2.084) 13.264 27.246 ( -11.830 -12.567 -3.694) 17.650 28.989 ( 1.473 4.053 2.357) 4.915 29.053 ( 0.485 -1.948 0.958) 2.224 30.073 ( 6.836 12.588 -0.557) 14.335 30.232 ( 9.150 -1.766 -8.456) 12.583 =================== 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 3/29400 10.0 1748.835 1343.834 1637.910 0.000 46.107 0.000 3/29400 20.0 404.465 418.562 361.849 0.000 25.899 0.000 3/29400 30.0 106.294 122.336 98.227 0.000 9.539 0.000 3/29400 40.0 44.910 55.496 42.907 0.000 3.690 0.000 3/29400 50.0 25.090 32.133 24.522 0.000 1.813 0.000 3/29400 60.0 16.523 21.576 16.407 0.000 1.042 0.000 3/29400 70.0 12.076 15.945 12.124 0.000 0.666 0.000 3/29400 80.0 9.458 12.568 9.566 0.000 0.459 0.000 3/29400 90.0 7.770 10.362 7.896 0.000 0.335 0.000 3/29400 100.0 6.604 8.823 6.729 0.000 0.256 0.000 3/29400 110.0 5.754 7.694 5.871 0.000 0.203 0.000 3/29400 120.0 5.108 6.833 5.215 0.000 0.166 0.000 3/29400 130.0 4.601 6.156 4.697 0.000 0.140 0.000 3/29400 140.0 4.192 5.609 4.278 0.000 0.120 0.000 3/29400 150.0 3.856 5.159 3.932 0.000 0.105 0.000 3/29400 160.0 3.574 4.782 3.642 0.000 0.094 0.000 3/29400 170.0 3.335 4.462 3.395 0.000 0.085 0.000 3/29400 180.0 3.130 4.188 3.182 0.000 0.077 0.000 3/29400 190.0 2.951 3.949 2.997 0.000 0.071 0.000 3/29400 200.0 2.795 3.740 2.835 0.000 0.067 0.000 3/29400 210.0 2.656 3.555 2.691 0.000 0.063 0.000 3/29400 220.0 2.533 3.392 2.563 0.000 0.060 0.000 3/29400 230.0 2.423 3.245 2.449 0.000 0.057 0.000 3/29400 240.0 2.324 3.113 2.345 0.000 0.055 0.000 3/29400 250.0 2.234 2.993 2.251 0.000 0.053 0.000 3/29400 260.0 2.152 2.885 2.166 0.000 0.051 0.000 3/29400 270.0 2.078 2.785 2.088 0.000 0.050 0.000 3/29400 280.0 2.009 2.694 2.016 0.000 0.049 0.000 3/29400 290.0 1.946 2.610 1.950 0.000 0.047 0.000 3/29400 300.0 1.887 2.532 1.889 0.000 0.047 0.000 3/29400 310.0 1.833 2.460 1.832 0.000 0.046 0.000 3/29400 320.0 1.782 2.393 1.779 0.000 0.045 0.000 3/29400 330.0 1.735 2.330 1.729 0.000 0.044 0.000 3/29400 340.0 1.690 2.271 1.682 0.000 0.044 0.000 3/29400 350.0 1.648 2.215 1.639 0.000 0.043 0.000 3/29400 360.0 1.609 2.163 1.597 0.000 0.043 0.000 3/29400 370.0 1.572 2.113 1.558 0.000 0.042 0.000 3/29400 380.0 1.536 2.067 1.522 0.000 0.042 0.000 3/29400 390.0 1.503 2.022 1.487 0.000 0.041 0.000 3/29400 400.0 1.471 1.980 1.453 0.000 0.041 0.000 3/29400 410.0 1.440 1.939 1.422 0.000 0.040 0.000 3/29400 420.0 1.411 1.901 1.392 0.000 0.040 0.000 3/29400 430.0 1.383 1.864 1.363 0.000 0.040 0.000 3/29400 440.0 1.357 1.828 1.335 0.000 0.039 0.000 3/29400 450.0 1.331 1.794 1.309 0.000 0.039 0.000 3/29400 460.0 1.307 1.762 1.284 0.000 0.038 0.000 3/29400 470.0 1.283 1.730 1.259 0.000 0.038 0.000 3/29400 480.0 1.261 1.700 1.236 0.000 0.038 0.000 3/29400 490.0 1.239 1.671 1.214 0.000 0.037 0.000 3/29400 500.0 1.218 1.643 1.192 0.000 0.037 0.000 3/29400 510.0 1.198 1.616 1.171 0.000 0.037 0.000 3/29400 520.0 1.178 1.590 1.151 0.000 0.036 0.000 3/29400 530.0 1.159 1.565 1.132 0.000 0.036 0.000 3/29400 540.0 1.141 1.540 1.113 0.000 0.036 0.000 3/29400 550.0 1.123 1.517 1.095 0.000 0.035 0.000 3/29400 560.0 1.106 1.494 1.078 0.000 0.035 0.000 3/29400 570.0 1.089 1.471 1.061 0.000 0.035 0.000 3/29400 580.0 1.073 1.450 1.044 0.000 0.034 0.000 3/29400 590.0 1.058 1.429 1.029 0.000 0.034 0.000 3/29400 600.0 1.042 1.409 1.013 0.000 0.034 0.000 3/29400 610.0 1.028 1.389 0.998 0.000 0.033 0.000 3/29400 620.0 1.013 1.370 0.984 0.000 0.033 0.000 3/29400 630.0 0.999 1.351 0.970 0.000 0.033 0.000 3/29400 640.0 0.986 1.333 0.956 0.000 0.032 0.000 3/29400 650.0 0.973 1.315 0.943 0.000 0.032 0.000 3/29400 660.0 0.960 1.298 0.930 0.000 0.032 0.000 3/29400 670.0 0.947 1.281 0.917 0.000 0.032 0.000 3/29400 680.0 0.935 1.264 0.905 0.000 0.031 0.000 3/29400 690.0 0.923 1.248 0.893 0.000 0.031 0.000 3/29400 700.0 0.912 1.233 0.882 0.000 0.031 0.000 3/29400 710.0 0.900 1.218 0.870 0.000 0.030 0.000 3/29400 720.0 0.889 1.203 0.859 0.000 0.030 0.000 3/29400 730.0 0.878 1.188 0.849 0.000 0.030 0.000 3/29400 740.0 0.868 1.174 0.838 0.000 0.030 0.000 3/29400 750.0 0.858 1.160 0.828 0.000 0.029 0.000 3/29400 760.0 0.848 1.147 0.818 0.000 0.029 0.000 3/29400 770.0 0.838 1.134 0.808 0.000 0.029 0.000 3/29400 780.0 0.828 1.121 0.799 0.000 0.029 0.000 3/29400 790.0 0.819 1.108 0.789 0.000 0.028 0.000 3/29400 800.0 0.810 1.096 0.780 0.000 0.028 0.000 3/29400 810.0 0.801 1.084 0.771 0.000 0.028 0.000 3/29400 820.0 0.792 1.072 0.763 0.000 0.028 0.000 3/29400 830.0 0.783 1.060 0.754 0.000 0.027 0.000 3/29400 840.0 0.775 1.049 0.746 0.000 0.027 0.000 3/29400 850.0 0.767 1.038 0.738 0.000 0.027 0.000 3/29400 860.0 0.759 1.027 0.730 0.000 0.027 0.000 3/29400 870.0 0.751 1.016 0.722 0.000 0.026 0.000 3/29400 880.0 0.743 1.006 0.714 0.000 0.026 0.000 3/29400 890.0 0.736 0.996 0.707 0.000 0.026 0.000 3/29400 900.0 0.728 0.986 0.700 0.000 0.026 0.000 3/29400 910.0 0.721 0.976 0.693 0.000 0.026 0.000 3/29400 920.0 0.714 0.966 0.686 0.000 0.025 0.000 3/29400 930.0 0.707 0.957 0.679 0.000 0.025 0.000 3/29400 940.0 0.700 0.948 0.672 0.000 0.025 0.000 3/29400 950.0 0.693 0.938 0.665 0.000 0.025 0.000 3/29400 960.0 0.687 0.930 0.659 0.000 0.024 0.000 3/29400 970.0 0.680 0.921 0.652 0.000 0.024 0.000 3/29400 980.0 0.674 0.912 0.646 0.000 0.024 0.000 3/29400 990.0 0.667 0.904 0.640 0.000 0.024 0.000 3/29400 1000.0 0.661 0.895 0.634 0.000 0.024 0.000 3/29400 Thermal conductivity related properties were written into "kappa-m1075.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:13:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|