----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:37:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.377941416163526 -2.868564185000000 0.000000000000000 b 7.377941416163526 2.868564185000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): *1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 *3 O 0.36517306570071 0.32551885016289 0.59626080278226 15.999 4 O 0.67448114983711 0.63482693429929 0.90373919721774 15.999 5 O 0.63482693429929 0.67448114983711 0.40373919721774 15.999 6 O 0.32551885016289 0.36517306570071 0.09626080278226 15.999 *7 O 0.81298667841065 0.93040652550309 0.60810089967309 15.999 8 O 0.06959347449691 0.18701332158935 0.89189910032691 15.999 9 O 0.18701332158935 0.06959347449691 0.39189910032691 15.999 10 O 0.93040652550309 0.81298667841065 0.10810089967309 15.999 *11 O 0.30952485373650 0.67048217459000 0.05949475391739 15.999 12 O 0.32951782541000 0.69047514626350 0.44050524608261 15.999 13 O 0.69047514626350 0.32951782541000 0.94050524608261 15.999 14 O 0.67048217459000 0.30952485373650 0.55949475391739 15.999 *15 O 0.10852488381706 0.58456916005862 0.88275411160048 15.999 16 O 0.41543083994138 0.89147511618294 0.61724588839952 15.999 17 O 0.89147511618294 0.41543083994138 0.11724588839952 15.999 18 O 0.58456916005862 0.10852488381706 0.38275411160048 15.999 *19 S 0.60657391210906 0.16071300910093 0.53624772282506 32.065 20 S 0.83928699089907 0.39342608789094 0.96375227717494 32.065 21 S 0.39342608789094 0.83928699089907 0.46375227717494 32.065 22 S 0.16071300910093 0.60657391210906 0.03624772282506 32.065 *23 K 0.75058904269127 0.24941095730873 0.25000000000000 39.098 24 K 0.24941095730873 0.75058904269127 0.75000000000000 39.098 *25 K 0.41701736602591 0.96517143865320 0.15206363060175 39.098 26 K 0.03482856134680 0.58298263397409 0.34793636939825 39.098 27 K 0.58298263397409 0.03482856134680 0.84793636939825 39.098 28 K 0.96517143865320 0.41701736602591 0.65206363060175 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.755882832327051 0.000000000000000 0.000000000000000 b 0.000000000000000 5.737128370000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): *1 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 4 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 2 *5 O 0.34534595793180 0.98017289223109 0.59626080278226 15.999 > 3 6 O 0.15465404206820 0.48017289223109 0.90373919721774 15.999 > 4 7 O 0.15465404206820 0.51982710776891 0.40373919721774 15.999 > 5 8 O 0.34534595793180 0.01982710776891 0.09626080278226 15.999 > 6 *9 O 0.37169660195687 0.55870992354622 0.60810089967309 15.999 > 7 10 O 0.12830339804313 0.05870992354622 0.89189910032691 15.999 > 8 11 O 0.12830339804313 0.94129007645378 0.39189910032691 15.999 > 9 12 O 0.37169660195687 0.44129007645378 0.10810089967309 15.999 > 10 *13 O 0.49000351416325 0.18047866042675 0.05949475391739 15.999 > 11 14 O 0.00999648583675 0.68047866042675 0.44050524608261 15.999 > 12 15 O 0.00999648583675 0.31952133957325 0.94050524608261 15.999 > 13 16 O 0.49000351416325 0.81952133957325 0.55949475391739 15.999 > 14 *17 O 0.34654702193784 0.23802213812078 0.88275411160048 15.999 > 15 18 O 0.15345297806216 0.73802213812078 0.61724588839952 15.999 > 16 19 O 0.15345297806216 0.26197786187922 0.11724588839952 15.999 > 17 20 O 0.34654702193784 0.76197786187922 0.38275411160048 15.999 > 18 21 O 0.84534595793180 0.48017289223109 0.59626080278226 15.999 > 3 22 O 0.65465404206820 0.98017289223109 0.90373919721774 15.999 > 4 23 O 0.65465404206820 0.01982710776891 0.40373919721774 15.999 > 5 24 O 0.84534595793180 0.51982710776891 0.09626080278226 15.999 > 6 25 O 0.87169660195687 0.05870992354622 0.60810089967309 15.999 > 7 26 O 0.62830339804313 0.55870992354622 0.89189910032691 15.999 > 8 27 O 0.62830339804313 0.44129007645378 0.39189910032691 15.999 > 9 28 O 0.87169660195687 0.94129007645378 0.10810089967309 15.999 > 10 29 O 0.99000351416325 0.68047866042675 0.05949475391739 15.999 > 11 30 O 0.50999648583675 0.18047866042675 0.44050524608261 15.999 > 12 31 O 0.50999648583675 0.81952133957325 0.94050524608261 15.999 > 13 32 O 0.99000351416325 0.31952133957325 0.55949475391739 15.999 > 14 33 O 0.84654702193784 0.73802213812078 0.88275411160048 15.999 > 15 34 O 0.65345297806216 0.23802213812078 0.61724588839952 15.999 > 16 35 O 0.65345297806216 0.76197786187922 0.11724588839952 15.999 > 17 36 O 0.84654702193784 0.26197786187922 0.38275411160048 15.999 > 18 *37 S 0.38364346060499 0.77706954849594 0.53624772282506 32.065 > 19 38 S 0.11635653939501 0.27706954849593 0.96375227717494 32.065 > 20 39 S 0.11635653939501 0.72293045150406 0.46375227717494 32.065 > 21 40 S 0.38364346060499 0.22293045150407 0.03624772282506 32.065 > 22 41 S 0.88364346060499 0.27706954849593 0.53624772282506 32.065 > 19 42 S 0.61635653939501 0.77706954849593 0.96375227717494 32.065 > 20 43 S 0.61635653939501 0.22293045150407 0.46375227717494 32.065 > 21 44 S 0.88364346060499 0.72293045150406 0.03624772282506 32.065 > 22 *45 K 0.00000000000000 0.24941095730873 0.25000000000000 39.098 > 23 46 K 0.00000000000000 0.75058904269127 0.75000000000000 39.098 > 24 *47 K 0.19109440233955 0.77407703631365 0.15206363060175 39.098 > 25 48 K 0.30890559766045 0.27407703631365 0.34793636939825 39.098 > 26 49 K 0.30890559766045 0.72592296368635 0.84793636939825 39.098 > 27 50 K 0.19109440233955 0.22592296368635 0.65206363060175 39.098 > 28 51 K 0.50000000000000 0.74941095730873 0.25000000000000 39.098 > 23 52 K 0.50000000000000 0.25058904269126 0.75000000000000 39.098 > 24 53 K 0.69109440233955 0.27407703631365 0.15206363060175 39.098 > 25 54 K 0.80890559766045 0.77407703631365 0.34793636939825 39.098 > 26 55 K 0.80890559766045 0.22592296368635 0.84793636939825 39.098 > 27 56 K 0.69109440233955 0.72592296368635 0.65206363060175 39.098 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.755882832327051 0.000000000000000 0.000000000000000 b 0.000000000000000 11.474256740000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): *1 H 0.00000000000000 0.25000000000000 0.50000000000000 1.008 > 1 2 H 0.00000000000000 0.75000000000000 0.50000000000000 1.008 > 1 3 H 0.00000000000000 0.25000000000000 0.00000000000000 1.008 > 2 4 H 0.00000000000000 0.75000000000000 0.00000000000000 1.008 > 2 5 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 6 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 1 7 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 2 8 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 2 *9 O 0.34534595793180 0.49008644611555 0.59626080278226 15.999 > 3 10 O 0.34534595793180 0.99008644611555 0.59626080278226 15.999 > 3 11 O 0.15465404206820 0.24008644611555 0.90373919721774 15.999 > 4 12 O 0.15465404206820 0.74008644611555 0.90373919721774 15.999 > 4 13 O 0.15465404206820 0.25991355388445 0.40373919721774 15.999 > 5 14 O 0.15465404206820 0.75991355388445 0.40373919721774 15.999 > 5 15 O 0.34534595793180 0.00991355388445 0.09626080278226 15.999 > 6 16 O 0.34534595793180 0.50991355388445 0.09626080278226 15.999 > 6 *17 O 0.37169660195687 0.27935496177311 0.60810089967309 15.999 > 7 18 O 0.37169660195687 0.77935496177311 0.60810089967309 15.999 > 7 19 O 0.12830339804313 0.02935496177311 0.89189910032691 15.999 > 8 20 O 0.12830339804313 0.52935496177311 0.89189910032691 15.999 > 8 21 O 0.12830339804313 0.47064503822689 0.39189910032691 15.999 > 9 22 O 0.12830339804313 0.97064503822689 0.39189910032691 15.999 > 9 23 O 0.37169660195687 0.22064503822689 0.10810089967309 15.999 > 10 24 O 0.37169660195687 0.72064503822689 0.10810089967309 15.999 > 10 *25 O 0.49000351416325 0.09023933021338 0.05949475391739 15.999 > 11 26 O 0.49000351416325 0.59023933021338 0.05949475391739 15.999 > 11 27 O 0.00999648583675 0.34023933021338 0.44050524608261 15.999 > 12 28 O 0.00999648583675 0.84023933021338 0.44050524608261 15.999 > 12 29 O 0.00999648583675 0.15976066978662 0.94050524608261 15.999 > 13 30 O 0.00999648583675 0.65976066978662 0.94050524608261 15.999 > 13 31 O 0.49000351416325 0.40976066978662 0.55949475391739 15.999 > 14 32 O 0.49000351416325 0.90976066978662 0.55949475391739 15.999 > 14 *33 O 0.34654702193784 0.11901106906039 0.88275411160048 15.999 > 15 34 O 0.34654702193784 0.61901106906039 0.88275411160048 15.999 > 15 35 O 0.15345297806216 0.36901106906039 0.61724588839952 15.999 > 16 36 O 0.15345297806216 0.86901106906039 0.61724588839952 15.999 > 16 37 O 0.15345297806216 0.13098893093961 0.11724588839952 15.999 > 17 38 O 0.15345297806216 0.63098893093961 0.11724588839952 15.999 > 17 39 O 0.34654702193784 0.38098893093961 0.38275411160048 15.999 > 18 40 O 0.34654702193784 0.88098893093961 0.38275411160048 15.999 > 18 41 O 0.84534595793180 0.24008644611555 0.59626080278226 15.999 > 3 42 O 0.84534595793180 0.74008644611555 0.59626080278226 15.999 > 3 43 O 0.65465404206820 0.49008644611555 0.90373919721774 15.999 > 4 44 O 0.65465404206820 0.99008644611555 0.90373919721774 15.999 > 4 45 O 0.65465404206820 0.00991355388445 0.40373919721774 15.999 > 5 46 O 0.65465404206820 0.50991355388445 0.40373919721774 15.999 > 5 47 O 0.84534595793180 0.25991355388445 0.09626080278226 15.999 > 6 48 O 0.84534595793180 0.75991355388445 0.09626080278226 15.999 > 6 49 O 0.87169660195687 0.02935496177311 0.60810089967309 15.999 > 7 50 O 0.87169660195687 0.52935496177311 0.60810089967309 15.999 > 7 51 O 0.62830339804313 0.27935496177311 0.89189910032691 15.999 > 8 52 O 0.62830339804313 0.77935496177311 0.89189910032691 15.999 > 8 53 O 0.62830339804313 0.22064503822689 0.39189910032691 15.999 > 9 54 O 0.62830339804313 0.72064503822689 0.39189910032691 15.999 > 9 55 O 0.87169660195687 0.47064503822689 0.10810089967309 15.999 > 10 56 O 0.87169660195687 0.97064503822689 0.10810089967309 15.999 > 10 57 O 0.99000351416325 0.34023933021338 0.05949475391739 15.999 > 11 58 O 0.99000351416325 0.84023933021338 0.05949475391739 15.999 > 11 59 O 0.50999648583675 0.09023933021338 0.44050524608261 15.999 > 12 60 O 0.50999648583675 0.59023933021338 0.44050524608261 15.999 > 12 61 O 0.50999648583675 0.40976066978662 0.94050524608261 15.999 > 13 62 O 0.50999648583675 0.90976066978662 0.94050524608261 15.999 > 13 63 O 0.99000351416325 0.15976066978662 0.55949475391739 15.999 > 14 64 O 0.99000351416325 0.65976066978662 0.55949475391739 15.999 > 14 65 O 0.84654702193784 0.36901106906039 0.88275411160048 15.999 > 15 66 O 0.84654702193784 0.86901106906039 0.88275411160048 15.999 > 15 67 O 0.65345297806216 0.11901106906039 0.61724588839952 15.999 > 16 68 O 0.65345297806216 0.61901106906039 0.61724588839952 15.999 > 16 69 O 0.65345297806216 0.38098893093961 0.11724588839952 15.999 > 17 70 O 0.65345297806216 0.88098893093961 0.11724588839952 15.999 > 17 71 O 0.84654702193784 0.13098893093961 0.38275411160048 15.999 > 18 72 O 0.84654702193784 0.63098893093961 0.38275411160048 15.999 > 18 *73 S 0.38364346060499 0.38853477424797 0.53624772282506 32.065 > 19 74 S 0.38364346060499 0.88853477424797 0.53624772282506 32.065 > 19 75 S 0.11635653939501 0.13853477424797 0.96375227717494 32.065 > 20 76 S 0.11635653939501 0.63853477424797 0.96375227717494 32.065 > 20 77 S 0.11635653939501 0.36146522575203 0.46375227717494 32.065 > 21 78 S 0.11635653939501 0.86146522575203 0.46375227717494 32.065 > 21 79 S 0.38364346060499 0.11146522575203 0.03624772282506 32.065 > 22 80 S 0.38364346060499 0.61146522575203 0.03624772282506 32.065 > 22 81 S 0.88364346060499 0.13853477424797 0.53624772282506 32.065 > 19 82 S 0.88364346060499 0.63853477424797 0.53624772282506 32.065 > 19 83 S 0.61635653939501 0.38853477424797 0.96375227717494 32.065 > 20 84 S 0.61635653939501 0.88853477424797 0.96375227717494 32.065 > 20 85 S 0.61635653939501 0.11146522575203 0.46375227717494 32.065 > 21 86 S 0.61635653939501 0.61146522575203 0.46375227717494 32.065 > 21 87 S 0.88364346060499 0.36146522575203 0.03624772282506 32.065 > 22 88 S 0.88364346060499 0.86146522575203 0.03624772282506 32.065 > 22 *89 K 0.00000000000000 0.12470547865437 0.25000000000000 39.098 > 23 90 K 0.00000000000000 0.62470547865437 0.25000000000000 39.098 > 23 91 K 0.00000000000000 0.37529452134563 0.75000000000000 39.098 > 24 92 K 0.00000000000000 0.87529452134563 0.75000000000000 39.098 > 24 *93 K 0.19109440233955 0.38703851815682 0.15206363060175 39.098 > 25 94 K 0.19109440233955 0.88703851815682 0.15206363060175 39.098 > 25 95 K 0.30890559766045 0.13703851815682 0.34793636939825 39.098 > 26 96 K 0.30890559766045 0.63703851815682 0.34793636939825 39.098 > 26 97 K 0.30890559766045 0.36296148184318 0.84793636939825 39.098 > 27 98 K 0.30890559766045 0.86296148184318 0.84793636939825 39.098 > 27 99 K 0.19109440233955 0.11296148184318 0.65206363060175 39.098 > 28 100 K 0.19109440233955 0.61296148184318 0.65206363060175 39.098 > 28 101 K 0.50000000000000 0.37470547865437 0.25000000000000 39.098 > 23 102 K 0.50000000000000 0.87470547865437 0.25000000000000 39.098 > 23 103 K 0.50000000000000 0.12529452134563 0.75000000000000 39.098 > 24 104 K 0.50000000000000 0.62529452134563 0.75000000000000 39.098 > 24 105 K 0.69109440233955 0.13703851815682 0.15206363060175 39.098 > 25 106 K 0.69109440233955 0.63703851815682 0.15206363060175 39.098 > 25 107 K 0.80890559766045 0.38703851815682 0.34793636939825 39.098 > 26 108 K 0.80890559766045 0.88703851815682 0.34793636939825 39.098 > 26 109 K 0.80890559766045 0.11296148184318 0.84793636939825 39.098 > 27 110 K 0.80890559766045 0.61296148184318 0.84793636939825 39.098 > 27 111 K 0.69109440233955 0.36296148184318 0.65206363060175 39.098 > 28 112 K 0.69109440233955 0.86296148184318 0.65206363060175 39.098 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3236983 0.0000000 -0.0313206 0.0000000 2.3719206 0.0000000 -0.0313205 0.0000000 2.3217760 -------------------------- Born effective charges -------------------------- 1 H 0.6382501 1.2360790 -0.6734814 0.5212634 1.6491934 -0.7053784 -0.2435780 -0.5506896 0.5708533 2 H 0.6382501 -1.2360790 -0.6734814 -0.5212634 1.6491934 0.7053784 -0.2435780 0.5506896 0.5708533 3 O -1.2659118 0.4279850 0.2223429 0.2741774 -1.5550343 -0.2992348 0.2212825 -0.3232437 -1.1243468 4 O -1.2659118 -0.4279850 0.2223429 -0.2741774 -1.5550343 0.2992348 0.2212825 0.3232437 -1.1243468 5 O -1.2659118 0.4279850 0.2223429 0.2741774 -1.5550343 -0.2992348 0.2212825 -0.3232437 -1.1243468 6 O -1.2659118 -0.4279850 0.2223429 -0.2741774 -1.5550343 0.2992348 0.2212825 0.3232437 -1.1243468 7 O -0.9988263 -0.2396333 0.1491432 -0.2195759 -1.7556000 0.4347358 0.1296646 0.4355365 -1.2057008 8 O -0.9988263 0.2396333 0.1491432 0.2195759 -1.7556000 -0.4347358 0.1296646 -0.4355365 -1.2057008 9 O -0.9988263 -0.2396333 0.1491432 -0.2195759 -1.7556000 0.4347358 0.1296646 0.4355365 -1.2057008 10 O -0.9988263 0.2396333 0.1491432 0.2195759 -1.7556000 -0.4347358 0.1296646 -0.4355365 -1.2057008 11 O -2.1758834 0.8046517 0.1591641 0.5861106 -1.4753591 -0.2490355 0.0164156 -0.2164242 -0.9486844 12 O -2.1758834 -0.8046517 0.1591641 -0.5861106 -1.4753591 0.2490355 0.0164156 0.2164242 -0.9486844 13 O -2.1758834 0.8046517 0.1591641 0.5861106 -1.4753591 -0.2490355 0.0164156 -0.2164242 -0.9486844 14 O -2.1758834 -0.8046517 0.1591641 -0.5861106 -1.4753591 0.2490355 0.0164156 0.2164242 -0.9486844 15 O -1.0310760 0.0434638 -0.2227267 0.0826911 -0.9963962 0.1564954 -0.0985403 0.0749854 -1.9579802 16 O -1.0310760 -0.0434638 -0.2227267 -0.0826911 -0.9963962 -0.1564954 -0.0985403 -0.0749854 -1.9579802 17 O -1.0310760 0.0434638 -0.2227267 0.0826911 -0.9963962 0.1564954 -0.0985403 0.0749854 -1.9579802 18 O -1.0310760 -0.0434638 -0.2227267 -0.0826911 -0.9963962 -0.1564954 -0.0985403 -0.0749854 -1.9579802 19 S 3.3491161 0.0958772 0.0335281 0.4146451 3.0719349 0.1096040 -0.1481431 0.0135781 3.0356350 20 S 3.3491161 -0.0958772 0.0335281 -0.4146451 3.0719349 -0.1096040 -0.1481431 -0.0135781 3.0356350 21 S 3.3491161 0.0958772 0.0335281 0.4146451 3.0719349 0.1096040 -0.1481431 0.0135781 3.0356350 22 S 3.3491161 -0.0958772 0.0335281 -0.4146451 3.0719349 -0.1096040 -0.1481431 -0.0135781 3.0356350 23 K 1.0970630 0.0000000 -0.0463036 0.0000000 1.2586987 0.0000000 -0.0049797 0.0000000 1.2766314 24 K 1.0970630 0.0000000 -0.0463036 0.0000000 1.2586987 0.0000000 -0.0049797 0.0000000 1.2766314 25 K 1.2549248 0.0621994 0.0184410 0.0657399 1.2565085 -0.0369766 0.0035996 -0.0209537 1.2773349 26 K 1.2549248 -0.0621994 0.0184410 -0.0657399 1.2565085 0.0369766 0.0035996 0.0209537 1.2773349 27 K 1.2549248 0.0621994 0.0184410 0.0657399 1.2565085 -0.0369766 0.0035996 -0.0209537 1.2773349 28 K 1.2549248 -0.0621994 0.0184410 -0.0657399 1.2565085 0.0369766 0.0035996 0.0209537 1.2773349 ---------------------------------------------------------------------------- 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: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3665 Number of blocks in projector: 3665 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: 790 Use submatrix version of eigh solver. (1) Block: 500 / 790 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 790 / 790 (1) 281 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (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: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (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: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 437 Use standard eigh solver. Tree of FC basis block matrices: - (3665, 3598), data: False |-- (437, 429), data: True |-- (437, 429), data: True |-- (437, 429), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (790, 775), data: False |-- (790, 9), data: (790, 24) @ (24, 9) |-- (290, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.875 Solver_block: 200 / 880 - Time: 1.615 Solver_block: 300 / 880 - Time: 1.944 Solver_block: 400 / 880 - Time: 2.330 Solver_block: 500 / 880 - Time: 1.250 Solver_block: 600 / 880 - Time: 1.633 Solver_block: 700 / 880 - Time: 2.188 Solver_block: 800 / 880 - Time: 1.433 Solver_block: 880 / 880 - Time: 1.423 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.065 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3665 Number of blocks in projector: 3665 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: 790 Use submatrix version of eigh solver. (1) Block: 500 / 790 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 790 / 790 (1) 281 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (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: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (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: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 437 Use standard eigh solver. Tree of FC basis block matrices: - (3665, 3598), data: False |-- (437, 429), data: True |-- (437, 429), data: True |-- (437, 429), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (790, 775), data: False |-- (790, 9), data: (790, 24) @ (24, 9) |-- (290, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:38:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.377941416163526 -2.868564185000000 0.000000000000000 b 7.377941416163526 2.868564185000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 3 O 0.36517306570071 0.32551885016289 0.59626080278226 15.999 4 O 0.67448114983711 0.63482693429929 0.90373919721774 15.999 5 O 0.63482693429929 0.67448114983711 0.40373919721774 15.999 6 O 0.32551885016289 0.36517306570071 0.09626080278226 15.999 7 O 0.81298667841065 0.93040652550309 0.60810089967309 15.999 8 O 0.06959347449691 0.18701332158935 0.89189910032691 15.999 9 O 0.18701332158935 0.06959347449691 0.39189910032691 15.999 10 O 0.93040652550309 0.81298667841065 0.10810089967309 15.999 11 O 0.30952485373650 0.67048217459000 0.05949475391739 15.999 12 O 0.32951782541000 0.69047514626350 0.44050524608261 15.999 13 O 0.69047514626350 0.32951782541000 0.94050524608261 15.999 14 O 0.67048217459000 0.30952485373650 0.55949475391739 15.999 15 O 0.10852488381706 0.58456916005862 0.88275411160048 15.999 16 O 0.41543083994138 0.89147511618294 0.61724588839952 15.999 17 O 0.89147511618294 0.41543083994138 0.11724588839952 15.999 18 O 0.58456916005862 0.10852488381706 0.38275411160048 15.999 19 S 0.60657391210906 0.16071300910093 0.53624772282506 32.065 20 S 0.83928699089907 0.39342608789094 0.96375227717494 32.065 21 S 0.39342608789094 0.83928699089907 0.46375227717494 32.065 22 S 0.16071300910093 0.60657391210906 0.03624772282506 32.065 23 K 0.75058904269127 0.24941095730873 0.25000000000000 39.098 24 K 0.24941095730873 0.75058904269127 0.75000000000000 39.098 25 K 0.41701736602591 0.96517143865320 0.15206363060175 39.098 26 K 0.03482856134680 0.58298263397409 0.34793636939825 39.098 27 K 0.58298263397409 0.03482856134680 0.84793636939825 39.098 28 K 0.96517143865320 0.41701736602591 0.65206363060175 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.755882832327051 0.000000000000000 0.000000000000000 b 0.000000000000000 11.474256740000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): 1 H 0.00000000000000 0.25000000000000 0.50000000000000 1.008 > 1 2 H 0.00000000000000 0.75000000000000 0.50000000000000 1.008 > 1 3 H 0.00000000000000 0.25000000000000 0.00000000000000 1.008 > 3 4 H 0.00000000000000 0.75000000000000 0.00000000000000 1.008 > 3 5 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 6 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 1 7 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 3 8 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 3 9 O 0.34534595793180 0.49008644611555 0.59626080278226 15.999 > 9 10 O 0.34534595793180 0.99008644611555 0.59626080278226 15.999 > 9 11 O 0.15465404206820 0.24008644611555 0.90373919721774 15.999 > 11 12 O 0.15465404206820 0.74008644611555 0.90373919721774 15.999 > 11 13 O 0.15465404206820 0.25991355388445 0.40373919721774 15.999 > 13 14 O 0.15465404206820 0.75991355388445 0.40373919721774 15.999 > 13 15 O 0.34534595793180 0.00991355388445 0.09626080278226 15.999 > 15 16 O 0.34534595793180 0.50991355388445 0.09626080278226 15.999 > 15 17 O 0.37169660195687 0.27935496177311 0.60810089967309 15.999 > 17 18 O 0.37169660195687 0.77935496177311 0.60810089967309 15.999 > 17 19 O 0.12830339804313 0.02935496177311 0.89189910032691 15.999 > 19 20 O 0.12830339804313 0.52935496177311 0.89189910032691 15.999 > 19 21 O 0.12830339804313 0.47064503822689 0.39189910032691 15.999 > 21 22 O 0.12830339804313 0.97064503822689 0.39189910032691 15.999 > 21 23 O 0.37169660195687 0.22064503822689 0.10810089967309 15.999 > 23 24 O 0.37169660195687 0.72064503822689 0.10810089967309 15.999 > 23 25 O 0.49000351416325 0.09023933021338 0.05949475391739 15.999 > 25 26 O 0.49000351416325 0.59023933021338 0.05949475391739 15.999 > 25 27 O 0.00999648583675 0.34023933021338 0.44050524608261 15.999 > 27 28 O 0.00999648583675 0.84023933021338 0.44050524608261 15.999 > 27 29 O 0.00999648583675 0.15976066978662 0.94050524608261 15.999 > 29 30 O 0.00999648583675 0.65976066978662 0.94050524608261 15.999 > 29 31 O 0.49000351416325 0.40976066978662 0.55949475391739 15.999 > 31 32 O 0.49000351416325 0.90976066978662 0.55949475391739 15.999 > 31 33 O 0.34654702193784 0.11901106906039 0.88275411160048 15.999 > 33 34 O 0.34654702193784 0.61901106906039 0.88275411160048 15.999 > 33 35 O 0.15345297806216 0.36901106906039 0.61724588839952 15.999 > 35 36 O 0.15345297806216 0.86901106906039 0.61724588839952 15.999 > 35 37 O 0.15345297806216 0.13098893093961 0.11724588839952 15.999 > 37 38 O 0.15345297806216 0.63098893093961 0.11724588839952 15.999 > 37 39 O 0.34654702193784 0.38098893093961 0.38275411160048 15.999 > 39 40 O 0.34654702193784 0.88098893093961 0.38275411160048 15.999 > 39 41 O 0.84534595793180 0.24008644611555 0.59626080278226 15.999 > 9 42 O 0.84534595793180 0.74008644611555 0.59626080278226 15.999 > 9 43 O 0.65465404206820 0.49008644611555 0.90373919721774 15.999 > 11 44 O 0.65465404206820 0.99008644611555 0.90373919721774 15.999 > 11 45 O 0.65465404206820 0.00991355388445 0.40373919721774 15.999 > 13 46 O 0.65465404206820 0.50991355388445 0.40373919721774 15.999 > 13 47 O 0.84534595793180 0.25991355388445 0.09626080278226 15.999 > 15 48 O 0.84534595793180 0.75991355388445 0.09626080278226 15.999 > 15 49 O 0.87169660195687 0.02935496177311 0.60810089967309 15.999 > 17 50 O 0.87169660195687 0.52935496177311 0.60810089967309 15.999 > 17 51 O 0.62830339804313 0.27935496177311 0.89189910032691 15.999 > 19 52 O 0.62830339804313 0.77935496177311 0.89189910032691 15.999 > 19 53 O 0.62830339804313 0.22064503822689 0.39189910032691 15.999 > 21 54 O 0.62830339804313 0.72064503822689 0.39189910032691 15.999 > 21 55 O 0.87169660195687 0.47064503822689 0.10810089967309 15.999 > 23 56 O 0.87169660195687 0.97064503822689 0.10810089967309 15.999 > 23 57 O 0.99000351416325 0.34023933021338 0.05949475391739 15.999 > 25 58 O 0.99000351416325 0.84023933021338 0.05949475391739 15.999 > 25 59 O 0.50999648583675 0.09023933021338 0.44050524608261 15.999 > 27 60 O 0.50999648583675 0.59023933021338 0.44050524608261 15.999 > 27 61 O 0.50999648583675 0.40976066978662 0.94050524608261 15.999 > 29 62 O 0.50999648583675 0.90976066978662 0.94050524608261 15.999 > 29 63 O 0.99000351416325 0.15976066978662 0.55949475391739 15.999 > 31 64 O 0.99000351416325 0.65976066978662 0.55949475391739 15.999 > 31 65 O 0.84654702193784 0.36901106906039 0.88275411160048 15.999 > 33 66 O 0.84654702193784 0.86901106906039 0.88275411160048 15.999 > 33 67 O 0.65345297806216 0.11901106906039 0.61724588839952 15.999 > 35 68 O 0.65345297806216 0.61901106906039 0.61724588839952 15.999 > 35 69 O 0.65345297806216 0.38098893093961 0.11724588839952 15.999 > 37 70 O 0.65345297806216 0.88098893093961 0.11724588839952 15.999 > 37 71 O 0.84654702193784 0.13098893093961 0.38275411160048 15.999 > 39 72 O 0.84654702193784 0.63098893093961 0.38275411160048 15.999 > 39 73 S 0.38364346060499 0.38853477424797 0.53624772282506 32.065 > 73 74 S 0.38364346060499 0.88853477424797 0.53624772282506 32.065 > 73 75 S 0.11635653939501 0.13853477424797 0.96375227717494 32.065 > 75 76 S 0.11635653939501 0.63853477424797 0.96375227717494 32.065 > 75 77 S 0.11635653939501 0.36146522575203 0.46375227717494 32.065 > 77 78 S 0.11635653939501 0.86146522575203 0.46375227717494 32.065 > 77 79 S 0.38364346060499 0.11146522575203 0.03624772282506 32.065 > 79 80 S 0.38364346060499 0.61146522575203 0.03624772282506 32.065 > 79 81 S 0.88364346060499 0.13853477424797 0.53624772282506 32.065 > 73 82 S 0.88364346060499 0.63853477424797 0.53624772282506 32.065 > 73 83 S 0.61635653939501 0.38853477424797 0.96375227717494 32.065 > 75 84 S 0.61635653939501 0.88853477424797 0.96375227717494 32.065 > 75 85 S 0.61635653939501 0.11146522575203 0.46375227717494 32.065 > 77 86 S 0.61635653939501 0.61146522575203 0.46375227717494 32.065 > 77 87 S 0.88364346060499 0.36146522575203 0.03624772282506 32.065 > 79 88 S 0.88364346060499 0.86146522575203 0.03624772282506 32.065 > 79 89 K 0.00000000000000 0.12470547865437 0.25000000000000 39.098 > 89 90 K 0.00000000000000 0.62470547865437 0.25000000000000 39.098 > 89 91 K 0.00000000000000 0.37529452134563 0.75000000000000 39.098 > 91 92 K 0.00000000000000 0.87529452134563 0.75000000000000 39.098 > 91 93 K 0.19109440233955 0.38703851815682 0.15206363060175 39.098 > 93 94 K 0.19109440233955 0.88703851815682 0.15206363060175 39.098 > 93 95 K 0.30890559766045 0.13703851815682 0.34793636939825 39.098 > 95 96 K 0.30890559766045 0.63703851815682 0.34793636939825 39.098 > 95 97 K 0.30890559766045 0.36296148184318 0.84793636939825 39.098 > 97 98 K 0.30890559766045 0.86296148184318 0.84793636939825 39.098 > 97 99 K 0.19109440233955 0.11296148184318 0.65206363060175 39.098 > 99 100 K 0.19109440233955 0.61296148184318 0.65206363060175 39.098 > 99 101 K 0.50000000000000 0.37470547865437 0.25000000000000 39.098 > 89 102 K 0.50000000000000 0.87470547865437 0.25000000000000 39.098 > 89 103 K 0.50000000000000 0.12529452134563 0.75000000000000 39.098 > 91 104 K 0.50000000000000 0.62529452134563 0.75000000000000 39.098 > 91 105 K 0.69109440233955 0.13703851815682 0.15206363060175 39.098 > 93 106 K 0.69109440233955 0.63703851815682 0.15206363060175 39.098 > 93 107 K 0.80890559766045 0.38703851815682 0.34793636939825 39.098 > 95 108 K 0.80890559766045 0.88703851815682 0.34793636939825 39.098 > 95 109 K 0.80890559766045 0.11296148184318 0.84793636939825 39.098 > 97 110 K 0.80890559766045 0.61296148184318 0.84793636939825 39.098 > 97 111 K 0.69109440233955 0.36296148184318 0.65206363060175 39.098 > 99 112 K 0.69109440233955 0.86296148184318 0.65206363060175 39.098 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3236983 0.0000000 -0.0313206 0.0000000 2.3719206 0.0000000 -0.0313205 0.0000000 2.3217760 -------------------------- Born effective charges -------------------------- 1 H 0.6382501 1.2360790 -0.6734814 0.5212634 1.6491934 -0.7053784 -0.2435780 -0.5506896 0.5708533 2 H 0.6382501 -1.2360790 -0.6734814 -0.5212634 1.6491934 0.7053784 -0.2435780 0.5506896 0.5708533 3 O -1.2659118 0.4279850 0.2223429 0.2741774 -1.5550343 -0.2992348 0.2212825 -0.3232437 -1.1243468 4 O -1.2659118 -0.4279850 0.2223429 -0.2741774 -1.5550343 0.2992348 0.2212825 0.3232437 -1.1243468 5 O -1.2659118 0.4279850 0.2223429 0.2741774 -1.5550343 -0.2992348 0.2212825 -0.3232437 -1.1243468 6 O -1.2659118 -0.4279850 0.2223429 -0.2741774 -1.5550343 0.2992348 0.2212825 0.3232437 -1.1243468 7 O -0.9988263 -0.2396333 0.1491432 -0.2195759 -1.7556000 0.4347358 0.1296646 0.4355365 -1.2057008 8 O -0.9988263 0.2396333 0.1491432 0.2195759 -1.7556000 -0.4347358 0.1296646 -0.4355365 -1.2057008 9 O -0.9988263 -0.2396333 0.1491432 -0.2195759 -1.7556000 0.4347358 0.1296646 0.4355365 -1.2057008 10 O -0.9988263 0.2396333 0.1491432 0.2195759 -1.7556000 -0.4347358 0.1296646 -0.4355365 -1.2057008 11 O -2.1758834 0.8046517 0.1591641 0.5861106 -1.4753591 -0.2490355 0.0164156 -0.2164242 -0.9486844 12 O -2.1758834 -0.8046517 0.1591641 -0.5861106 -1.4753591 0.2490355 0.0164156 0.2164242 -0.9486844 13 O -2.1758834 0.8046517 0.1591641 0.5861106 -1.4753591 -0.2490355 0.0164156 -0.2164242 -0.9486844 14 O -2.1758834 -0.8046517 0.1591641 -0.5861106 -1.4753591 0.2490355 0.0164156 0.2164242 -0.9486844 15 O -1.0310760 0.0434638 -0.2227267 0.0826911 -0.9963962 0.1564954 -0.0985403 0.0749854 -1.9579802 16 O -1.0310760 -0.0434638 -0.2227267 -0.0826911 -0.9963962 -0.1564954 -0.0985403 -0.0749854 -1.9579802 17 O -1.0310760 0.0434638 -0.2227267 0.0826911 -0.9963962 0.1564954 -0.0985403 0.0749854 -1.9579802 18 O -1.0310760 -0.0434638 -0.2227267 -0.0826911 -0.9963962 -0.1564954 -0.0985403 -0.0749854 -1.9579802 19 S 3.3491161 0.0958772 0.0335281 0.4146451 3.0719349 0.1096040 -0.1481431 0.0135781 3.0356350 20 S 3.3491161 -0.0958772 0.0335281 -0.4146451 3.0719349 -0.1096040 -0.1481431 -0.0135781 3.0356350 21 S 3.3491161 0.0958772 0.0335281 0.4146451 3.0719349 0.1096040 -0.1481431 0.0135781 3.0356350 22 S 3.3491161 -0.0958772 0.0335281 -0.4146451 3.0719349 -0.1096040 -0.1481431 -0.0135781 3.0356350 23 K 1.0970630 0.0000000 -0.0463036 0.0000000 1.2586987 0.0000000 -0.0049797 0.0000000 1.2766314 24 K 1.0970630 0.0000000 -0.0463036 0.0000000 1.2586987 0.0000000 -0.0049797 0.0000000 1.2766314 25 K 1.2549248 0.0621994 0.0184410 0.0657399 1.2565085 -0.0369766 0.0035996 -0.0209537 1.2773349 26 K 1.2549248 -0.0621994 0.0184410 -0.0657399 1.2565085 0.0369766 0.0035996 0.0209537 1.2773349 27 K 1.2549248 0.0621994 0.0184410 0.0657399 1.2565085 -0.0369766 0.0035996 -0.0209537 1.2773349 28 K 1.2549248 -0.0621994 0.0184410 -0.0657399 1.2565085 0.0369766 0.0035996 0.0209537 1.2773349 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 89, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 93, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:39:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.377941416163526 -2.868564185000000 0.000000000000000 b 7.377941416163526 2.868564185000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 3 O 0.36517306570071 0.32551885016289 0.59626080278226 15.999 4 O 0.67448114983711 0.63482693429929 0.90373919721774 15.999 5 O 0.63482693429929 0.67448114983711 0.40373919721774 15.999 6 O 0.32551885016289 0.36517306570071 0.09626080278226 15.999 7 O 0.81298667841065 0.93040652550309 0.60810089967309 15.999 8 O 0.06959347449691 0.18701332158935 0.89189910032691 15.999 9 O 0.18701332158935 0.06959347449691 0.39189910032691 15.999 10 O 0.93040652550309 0.81298667841065 0.10810089967309 15.999 11 O 0.30952485373650 0.67048217459000 0.05949475391739 15.999 12 O 0.32951782541000 0.69047514626350 0.44050524608261 15.999 13 O 0.69047514626350 0.32951782541000 0.94050524608261 15.999 14 O 0.67048217459000 0.30952485373650 0.55949475391739 15.999 15 O 0.10852488381706 0.58456916005862 0.88275411160048 15.999 16 O 0.41543083994138 0.89147511618294 0.61724588839952 15.999 17 O 0.89147511618294 0.41543083994138 0.11724588839952 15.999 18 O 0.58456916005862 0.10852488381706 0.38275411160048 15.999 19 S 0.60657391210906 0.16071300910093 0.53624772282506 32.065 20 S 0.83928699089907 0.39342608789094 0.96375227717494 32.065 21 S 0.39342608789094 0.83928699089907 0.46375227717494 32.065 22 S 0.16071300910093 0.60657391210906 0.03624772282506 32.065 23 K 0.75058904269127 0.24941095730873 0.25000000000000 39.098 24 K 0.24941095730873 0.75058904269127 0.75000000000000 39.098 25 K 0.41701736602591 0.96517143865320 0.15206363060175 39.098 26 K 0.03482856134680 0.58298263397409 0.34793636939825 39.098 27 K 0.58298263397409 0.03482856134680 0.84793636939825 39.098 28 K 0.96517143865320 0.41701736602591 0.65206363060175 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.755882832327051 0.000000000000000 0.000000000000000 b 0.000000000000000 11.474256740000000 0.000000000000000 c -2.273488824919889 0.000000000000000 9.522379045030291 Atomic positions (fractional): 1 H 0.00000000000000 0.25000000000000 0.50000000000000 1.008 > 1 2 H 0.00000000000000 0.75000000000000 0.50000000000000 1.008 > 1 3 H 0.00000000000000 0.25000000000000 0.00000000000000 1.008 > 3 4 H 0.00000000000000 0.75000000000000 0.00000000000000 1.008 > 3 5 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 1 6 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 1 7 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 3 8 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 3 9 O 0.34534595793180 0.49008644611555 0.59626080278226 15.999 > 9 10 O 0.34534595793180 0.99008644611555 0.59626080278226 15.999 > 9 11 O 0.15465404206820 0.24008644611555 0.90373919721774 15.999 > 11 12 O 0.15465404206820 0.74008644611555 0.90373919721774 15.999 > 11 13 O 0.15465404206820 0.25991355388445 0.40373919721774 15.999 > 13 14 O 0.15465404206820 0.75991355388445 0.40373919721774 15.999 > 13 15 O 0.34534595793180 0.00991355388445 0.09626080278226 15.999 > 15 16 O 0.34534595793180 0.50991355388445 0.09626080278226 15.999 > 15 17 O 0.37169660195687 0.27935496177311 0.60810089967309 15.999 > 17 18 O 0.37169660195687 0.77935496177311 0.60810089967309 15.999 > 17 19 O 0.12830339804313 0.02935496177311 0.89189910032691 15.999 > 19 20 O 0.12830339804313 0.52935496177311 0.89189910032691 15.999 > 19 21 O 0.12830339804313 0.47064503822689 0.39189910032691 15.999 > 21 22 O 0.12830339804313 0.97064503822689 0.39189910032691 15.999 > 21 23 O 0.37169660195687 0.22064503822689 0.10810089967309 15.999 > 23 24 O 0.37169660195687 0.72064503822689 0.10810089967309 15.999 > 23 25 O 0.49000351416325 0.09023933021338 0.05949475391739 15.999 > 25 26 O 0.49000351416325 0.59023933021338 0.05949475391739 15.999 > 25 27 O 0.00999648583675 0.34023933021338 0.44050524608261 15.999 > 27 28 O 0.00999648583675 0.84023933021338 0.44050524608261 15.999 > 27 29 O 0.00999648583675 0.15976066978662 0.94050524608261 15.999 > 29 30 O 0.00999648583675 0.65976066978662 0.94050524608261 15.999 > 29 31 O 0.49000351416325 0.40976066978662 0.55949475391739 15.999 > 31 32 O 0.49000351416325 0.90976066978662 0.55949475391739 15.999 > 31 33 O 0.34654702193784 0.11901106906039 0.88275411160048 15.999 > 33 34 O 0.34654702193784 0.61901106906039 0.88275411160048 15.999 > 33 35 O 0.15345297806216 0.36901106906039 0.61724588839952 15.999 > 35 36 O 0.15345297806216 0.86901106906039 0.61724588839952 15.999 > 35 37 O 0.15345297806216 0.13098893093961 0.11724588839952 15.999 > 37 38 O 0.15345297806216 0.63098893093961 0.11724588839952 15.999 > 37 39 O 0.34654702193784 0.38098893093961 0.38275411160048 15.999 > 39 40 O 0.34654702193784 0.88098893093961 0.38275411160048 15.999 > 39 41 O 0.84534595793180 0.24008644611555 0.59626080278226 15.999 > 9 42 O 0.84534595793180 0.74008644611555 0.59626080278226 15.999 > 9 43 O 0.65465404206820 0.49008644611555 0.90373919721774 15.999 > 11 44 O 0.65465404206820 0.99008644611555 0.90373919721774 15.999 > 11 45 O 0.65465404206820 0.00991355388445 0.40373919721774 15.999 > 13 46 O 0.65465404206820 0.50991355388445 0.40373919721774 15.999 > 13 47 O 0.84534595793180 0.25991355388445 0.09626080278226 15.999 > 15 48 O 0.84534595793180 0.75991355388445 0.09626080278226 15.999 > 15 49 O 0.87169660195687 0.02935496177311 0.60810089967309 15.999 > 17 50 O 0.87169660195687 0.52935496177311 0.60810089967309 15.999 > 17 51 O 0.62830339804313 0.27935496177311 0.89189910032691 15.999 > 19 52 O 0.62830339804313 0.77935496177311 0.89189910032691 15.999 > 19 53 O 0.62830339804313 0.22064503822689 0.39189910032691 15.999 > 21 54 O 0.62830339804313 0.72064503822689 0.39189910032691 15.999 > 21 55 O 0.87169660195687 0.47064503822689 0.10810089967309 15.999 > 23 56 O 0.87169660195687 0.97064503822689 0.10810089967309 15.999 > 23 57 O 0.99000351416325 0.34023933021338 0.05949475391739 15.999 > 25 58 O 0.99000351416325 0.84023933021338 0.05949475391739 15.999 > 25 59 O 0.50999648583675 0.09023933021338 0.44050524608261 15.999 > 27 60 O 0.50999648583675 0.59023933021338 0.44050524608261 15.999 > 27 61 O 0.50999648583675 0.40976066978662 0.94050524608261 15.999 > 29 62 O 0.50999648583675 0.90976066978662 0.94050524608261 15.999 > 29 63 O 0.99000351416325 0.15976066978662 0.55949475391739 15.999 > 31 64 O 0.99000351416325 0.65976066978662 0.55949475391739 15.999 > 31 65 O 0.84654702193784 0.36901106906039 0.88275411160048 15.999 > 33 66 O 0.84654702193784 0.86901106906039 0.88275411160048 15.999 > 33 67 O 0.65345297806216 0.11901106906039 0.61724588839952 15.999 > 35 68 O 0.65345297806216 0.61901106906039 0.61724588839952 15.999 > 35 69 O 0.65345297806216 0.38098893093961 0.11724588839952 15.999 > 37 70 O 0.65345297806216 0.88098893093961 0.11724588839952 15.999 > 37 71 O 0.84654702193784 0.13098893093961 0.38275411160048 15.999 > 39 72 O 0.84654702193784 0.63098893093961 0.38275411160048 15.999 > 39 73 S 0.38364346060499 0.38853477424797 0.53624772282506 32.065 > 73 74 S 0.38364346060499 0.88853477424797 0.53624772282506 32.065 > 73 75 S 0.11635653939501 0.13853477424797 0.96375227717494 32.065 > 75 76 S 0.11635653939501 0.63853477424797 0.96375227717494 32.065 > 75 77 S 0.11635653939501 0.36146522575203 0.46375227717494 32.065 > 77 78 S 0.11635653939501 0.86146522575203 0.46375227717494 32.065 > 77 79 S 0.38364346060499 0.11146522575203 0.03624772282506 32.065 > 79 80 S 0.38364346060499 0.61146522575203 0.03624772282506 32.065 > 79 81 S 0.88364346060499 0.13853477424797 0.53624772282506 32.065 > 73 82 S 0.88364346060499 0.63853477424797 0.53624772282506 32.065 > 73 83 S 0.61635653939501 0.38853477424797 0.96375227717494 32.065 > 75 84 S 0.61635653939501 0.88853477424797 0.96375227717494 32.065 > 75 85 S 0.61635653939501 0.11146522575203 0.46375227717494 32.065 > 77 86 S 0.61635653939501 0.61146522575203 0.46375227717494 32.065 > 77 87 S 0.88364346060499 0.36146522575203 0.03624772282506 32.065 > 79 88 S 0.88364346060499 0.86146522575203 0.03624772282506 32.065 > 79 89 K 0.00000000000000 0.12470547865437 0.25000000000000 39.098 > 89 90 K 0.00000000000000 0.62470547865437 0.25000000000000 39.098 > 89 91 K 0.00000000000000 0.37529452134563 0.75000000000000 39.098 > 91 92 K 0.00000000000000 0.87529452134563 0.75000000000000 39.098 > 91 93 K 0.19109440233955 0.38703851815682 0.15206363060175 39.098 > 93 94 K 0.19109440233955 0.88703851815682 0.15206363060175 39.098 > 93 95 K 0.30890559766045 0.13703851815682 0.34793636939825 39.098 > 95 96 K 0.30890559766045 0.63703851815682 0.34793636939825 39.098 > 95 97 K 0.30890559766045 0.36296148184318 0.84793636939825 39.098 > 97 98 K 0.30890559766045 0.86296148184318 0.84793636939825 39.098 > 97 99 K 0.19109440233955 0.11296148184318 0.65206363060175 39.098 > 99 100 K 0.19109440233955 0.61296148184318 0.65206363060175 39.098 > 99 101 K 0.50000000000000 0.37470547865437 0.25000000000000 39.098 > 89 102 K 0.50000000000000 0.87470547865437 0.25000000000000 39.098 > 89 103 K 0.50000000000000 0.12529452134563 0.75000000000000 39.098 > 91 104 K 0.50000000000000 0.62529452134563 0.75000000000000 39.098 > 91 105 K 0.69109440233955 0.13703851815682 0.15206363060175 39.098 > 93 106 K 0.69109440233955 0.63703851815682 0.15206363060175 39.098 > 93 107 K 0.80890559766045 0.38703851815682 0.34793636939825 39.098 > 95 108 K 0.80890559766045 0.88703851815682 0.34793636939825 39.098 > 95 109 K 0.80890559766045 0.11296148184318 0.84793636939825 39.098 > 97 110 K 0.80890559766045 0.61296148184318 0.84793636939825 39.098 > 97 111 K 0.69109440233955 0.36296148184318 0.65206363060175 39.098 > 99 112 K 0.69109440233955 0.86296148184318 0.65206363060175 39.098 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3236983 0.0000000 -0.0313206 0.0000000 2.3719206 0.0000000 -0.0313205 0.0000000 2.3217760 -------------------------- Born effective charges -------------------------- 1 H 0.6382501 1.2360790 -0.6734814 0.5212634 1.6491934 -0.7053784 -0.2435780 -0.5506896 0.5708533 2 H 0.6382501 -1.2360790 -0.6734814 -0.5212634 1.6491934 0.7053784 -0.2435780 0.5506896 0.5708533 3 O -1.2659118 0.4279850 0.2223429 0.2741774 -1.5550343 -0.2992348 0.2212825 -0.3232437 -1.1243468 4 O -1.2659118 -0.4279850 0.2223429 -0.2741774 -1.5550343 0.2992348 0.2212825 0.3232437 -1.1243468 5 O -1.2659118 0.4279850 0.2223429 0.2741774 -1.5550343 -0.2992348 0.2212825 -0.3232437 -1.1243468 6 O -1.2659118 -0.4279850 0.2223429 -0.2741774 -1.5550343 0.2992348 0.2212825 0.3232437 -1.1243468 7 O -0.9988263 -0.2396333 0.1491432 -0.2195759 -1.7556000 0.4347358 0.1296646 0.4355365 -1.2057008 8 O -0.9988263 0.2396333 0.1491432 0.2195759 -1.7556000 -0.4347358 0.1296646 -0.4355365 -1.2057008 9 O -0.9988263 -0.2396333 0.1491432 -0.2195759 -1.7556000 0.4347358 0.1296646 0.4355365 -1.2057008 10 O -0.9988263 0.2396333 0.1491432 0.2195759 -1.7556000 -0.4347358 0.1296646 -0.4355365 -1.2057008 11 O -2.1758834 0.8046517 0.1591641 0.5861106 -1.4753591 -0.2490355 0.0164156 -0.2164242 -0.9486844 12 O -2.1758834 -0.8046517 0.1591641 -0.5861106 -1.4753591 0.2490355 0.0164156 0.2164242 -0.9486844 13 O -2.1758834 0.8046517 0.1591641 0.5861106 -1.4753591 -0.2490355 0.0164156 -0.2164242 -0.9486844 14 O -2.1758834 -0.8046517 0.1591641 -0.5861106 -1.4753591 0.2490355 0.0164156 0.2164242 -0.9486844 15 O -1.0310760 0.0434638 -0.2227267 0.0826911 -0.9963962 0.1564954 -0.0985403 0.0749854 -1.9579802 16 O -1.0310760 -0.0434638 -0.2227267 -0.0826911 -0.9963962 -0.1564954 -0.0985403 -0.0749854 -1.9579802 17 O -1.0310760 0.0434638 -0.2227267 0.0826911 -0.9963962 0.1564954 -0.0985403 0.0749854 -1.9579802 18 O -1.0310760 -0.0434638 -0.2227267 -0.0826911 -0.9963962 -0.1564954 -0.0985403 -0.0749854 -1.9579802 19 S 3.3491161 0.0958772 0.0335281 0.4146451 3.0719349 0.1096040 -0.1481431 0.0135781 3.0356350 20 S 3.3491161 -0.0958772 0.0335281 -0.4146451 3.0719349 -0.1096040 -0.1481431 -0.0135781 3.0356350 21 S 3.3491161 0.0958772 0.0335281 0.4146451 3.0719349 0.1096040 -0.1481431 0.0135781 3.0356350 22 S 3.3491161 -0.0958772 0.0335281 -0.4146451 3.0719349 -0.1096040 -0.1481431 -0.0135781 3.0356350 23 K 1.0970630 0.0000000 -0.0463036 0.0000000 1.2586987 0.0000000 -0.0049797 0.0000000 1.2766314 24 K 1.0970630 0.0000000 -0.0463036 0.0000000 1.2586987 0.0000000 -0.0049797 0.0000000 1.2766314 25 K 1.2549248 0.0621994 0.0184410 0.0657399 1.2565085 -0.0369766 0.0035996 -0.0209537 1.2773349 26 K 1.2549248 -0.0621994 0.0184410 -0.0657399 1.2565085 0.0369766 0.0035996 0.0209537 1.2773349 27 K 1.2549248 0.0621994 0.0184410 0.0657399 1.2565085 -0.0369766 0.0035996 -0.0209537 1.2773349 28 K 1.2549248 -0.0621994 0.0184410 -0.0657399 1.2565085 0.0369766 0.0035996 0.0209537 1.2773349 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.883 ( 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 4.127 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 12.595 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 12.611 ( 0.000 0.000 0.000) 0.000 12.712 ( 0.000 0.000 0.000) 0.000 13.234 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.207 ( 0.000 0.000 0.000) 0.000 17.107 ( 0.000 0.000 0.000) 0.000 17.138 ( 0.000 0.000 0.000) 0.000 17.180 ( 0.000 0.000 0.000) 0.000 17.284 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 19.629 ( 0.000 0.000 0.000) 0.000 19.670 ( 0.000 0.000 0.000) 0.000 20.601 ( 0.000 0.000 0.000) 0.000 20.720 ( 0.000 0.000 0.000) 0.000 27.153 ( 0.000 0.000 0.000) 0.000 27.175 ( 0.000 0.000 0.000) 0.000 27.576 ( 0.000 0.000 0.000) 0.000 27.583 ( 0.000 0.000 0.000) 0.000 30.506 ( 0.000 0.000 0.000) 0.000 30.809 ( 0.000 0.000 0.000) 0.000 33.145 ( 0.000 0.000 0.000) 0.000 33.403 ( 0.000 0.000 0.000) 0.000 33.633 ( 0.000 0.000 0.000) 0.000 34.003 ( 0.000 0.000 0.000) 0.000 34.173 ( 0.000 0.000 0.000) 0.000 34.225 ( 0.000 0.000 0.000) 0.000 34.232 ( 0.000 0.000 0.000) 0.000 34.810 ( 0.000 0.000 0.000) 0.000 35.539 ( 0.000 0.000 0.000) 0.000 36.149 ( 0.000 0.000 0.000) 0.000 38.809 ( 0.000 0.000 0.000) 0.000 40.216 ( 0.000 0.000 0.000) 0.000 46.129 ( 0.000 0.000 0.000) 0.000 46.173 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 14.102 -13.349 1.492) 19.475 0.506 ( -6.065 -28.230 -7.451) 29.820 0.811 ( 15.183 -30.640 17.090) 38.228 1.396 ( -0.468 7.386 -1.774) 7.611 1.782 ( -0.227 7.540 -1.928) 7.785 2.128 ( -1.789 -9.126 -0.581) 9.318 2.254 ( -0.803 -0.317 -1.362) 1.613 2.383 ( -0.866 -1.958 0.543) 2.209 2.466 ( -3.060 0.839 2.160) 3.839 2.503 ( -1.087 -4.152 0.002) 4.292 2.542 ( -5.231 0.722 3.579) 6.380 2.625 ( 0.747 4.293 -1.068) 4.487 2.767 ( -1.880 -5.807 -2.049) 6.438 2.946 ( 1.379 3.340 -3.893) 5.311 2.968 ( 1.002 -0.377 1.552) 1.885 3.033 ( 3.697 3.275 -1.841) 5.271 3.151 ( 5.087 1.085 -3.203) 6.108 3.193 ( 2.832 -4.538 -0.169) 5.352 3.210 ( 0.656 -2.677 -2.730) 3.880 3.310 ( 0.830 0.649 1.018) 1.465 3.418 ( -4.410 -1.853 -0.992) 4.885 3.442 ( -1.943 -1.927 -2.413) 3.649 3.467 ( -0.513 -0.894 -0.198) 1.050 3.523 ( 3.097 -2.328 4.082) 5.628 3.665 ( -1.592 1.989 -0.259) 2.561 3.773 ( -4.020 3.320 -4.847) 7.118 3.864 ( 0.138 3.931 -0.498) 3.965 3.881 ( 0.189 2.339 3.476) 4.194 3.911 ( 0.268 2.596 3.579) 4.430 4.043 ( -3.442 -1.784 0.686) 3.937 4.112 ( -4.307 1.566 0.594) 4.621 4.171 ( 2.539 1.601 0.828) 3.114 4.250 ( -3.636 0.263 3.075) 4.769 4.284 ( 8.135 0.757 -0.536) 8.188 4.307 ( 6.465 1.739 -5.135) 8.437 4.591 ( -1.189 -6.730 0.413) 6.846 4.774 ( -8.643 3.948 1.675) 9.649 4.878 ( 2.260 -0.684 -0.281) 2.378 4.971 ( -7.459 2.413 2.296) 8.169 5.200 ( 7.970 -0.815 1.017) 8.076 9.098 ( -9.417 -3.609 0.844) 10.120 9.129 ( 1.219 -1.945 0.196) 2.304 9.356 ( -22.862 -16.920 3.095) 28.610 11.909 ( 30.353 10.832 -16.989) 36.431 12.542 ( -4.233 1.531 -0.112) 4.502 12.602 ( 1.990 0.903 -0.022) 2.186 12.633 ( 0.180 -0.772 0.715) 1.068 12.743 ( 1.901 -1.461 -0.436) 2.436 13.289 ( 6.892 1.308 -1.041) 7.092 14.464 ( 85.160 25.650 -19.939) 91.146 15.165 ( 0.501 -1.268 0.122) 1.368 15.228 ( 1.960 -1.311 0.971) 2.551 17.101 ( 0.165 0.552 -0.443) 0.727 17.186 ( -0.380 -0.813 -0.960) 1.314 17.262 ( -1.215 0.577 -0.216) 1.362 17.305 ( -0.505 -1.100 -0.396) 1.274 17.343 ( 2.358 0.125 -0.309) 2.381 17.434 ( -1.703 -0.052 -1.516) 2.280 17.787 ( -1.693 1.910 0.201) 2.560 17.854 ( -1.357 0.807 0.200) 1.592 19.668 ( 5.674 -0.734 -0.615) 5.754 20.589 ( -0.373 1.139 0.194) 1.214 20.703 ( 0.343 1.739 -0.373) 1.812 21.255 ( 50.108 21.864 -35.179) 65.011 27.141 ( -1.504 0.879 -0.290) 1.766 27.172 ( 0.849 0.214 0.190) 0.896 27.580 ( 0.023 -0.374 -0.013) 0.375 27.702 ( 0.118 0.715 -2.386) 2.493 30.498 ( -0.038 0.885 0.151) 0.899 30.789 ( -0.240 1.969 0.204) 1.994 33.144 ( -0.768 -0.293 0.026) 0.822 33.387 ( 0.629 1.868 1.029) 2.224 33.653 ( 0.388 -1.799 -0.975) 2.083 34.155 ( -2.846 0.143 0.272) 2.863 34.229 ( 0.211 -1.526 -0.215) 1.556 34.347 ( 3.516 -8.462 -1.731) 9.326 34.574 ( -1.731 -0.001 2.444) 2.995 35.508 ( -18.317 -8.899 -2.984) 20.582 35.535 ( 0.243 0.249 -2.014) 2.044 36.264 ( -8.417 0.024 -1.402) 8.533 38.931 ( 1.003 -11.718 -2.489) 12.021 42.295 ( -72.341 -25.990 -23.548) 80.394 46.153 ( 2.488 -0.547 -0.196) 2.555 46.369 ( 1.055 -0.741 -4.001) 4.203 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 14.479 -13.993 -0.025) 20.135 0.936 ( -5.649 -20.144 -12.354) 24.297 1.206 ( 5.445 -2.175 5.124) 7.787 1.535 ( 3.367 -15.867 12.513) 20.486 1.718 ( 9.039 -2.864 -3.281) 10.033 2.214 ( -1.220 4.509 0.149) 4.673 2.270 ( -3.008 -6.723 3.257) 8.053 2.382 ( 2.210 -2.063 -5.981) 6.702 2.434 ( -8.010 1.758 4.191) 9.209 2.519 ( -1.322 0.788 -4.427) 4.687 2.572 ( -1.455 -3.411 6.071) 7.114 2.608 ( -1.982 -6.194 -1.663) 6.713 2.792 ( 2.170 1.829 0.308) 2.854 2.944 ( -1.182 -3.745 -6.879) 7.921 2.970 ( 2.580 2.106 -2.031) 3.901 3.017 ( -3.720 0.038 0.960) 3.842 3.163 ( 3.288 -1.072 -1.342) 3.709 3.236 ( -3.117 1.333 2.081) 3.978 3.275 ( 1.990 0.868 0.619) 2.257 3.306 ( 3.113 0.960 -3.539) 4.810 3.403 ( -4.356 0.417 -1.654) 4.678 3.442 ( -4.208 1.911 0.687) 4.672 3.459 ( 0.361 0.291 -0.654) 0.802 3.566 ( 0.098 -0.045 3.016) 3.018 3.596 ( 0.059 0.292 0.015) 0.298 3.676 ( -2.889 3.076 0.042) 4.220 3.767 ( -0.038 4.584 -3.103) 5.536 3.870 ( -3.019 0.750 0.946) 3.251 3.899 ( 1.471 -1.763 2.480) 3.379 4.040 ( -4.142 -2.883 0.884) 5.123 4.120 ( -0.562 -0.047 -0.483) 0.743 4.166 ( 0.860 -0.303 -1.735) 1.960 4.202 ( 0.893 1.978 -0.494) 2.225 4.292 ( 6.961 1.463 0.812) 7.160 4.379 ( 0.852 -3.444 -0.161) 3.552 4.591 ( -6.117 4.678 3.264) 8.364 4.679 ( -4.609 -1.206 1.230) 4.921 4.875 ( -0.813 1.680 1.057) 2.145 4.944 ( 1.916 -1.554 -0.890) 2.623 5.247 ( 6.893 1.976 0.217) 7.174 9.115 ( -4.709 -3.418 0.090) 5.819 9.206 ( 1.529 -4.816 -0.004) 5.053 9.526 ( -5.600 -10.413 0.115) 11.823 11.877 ( 10.548 6.406 -6.069) 13.753 12.481 ( -3.561 1.557 0.251) 3.895 12.599 ( 2.133 0.990 -0.200) 2.360 12.643 ( -1.110 -0.530 0.462) 1.314 12.787 ( 2.277 -1.254 -0.268) 2.613 13.325 ( 2.742 -1.368 -0.398) 3.090 14.605 ( 53.596 11.762 -7.267) 55.351 15.197 ( 0.271 -1.455 0.442) 1.544 15.284 ( 3.458 -1.836 1.341) 4.138 17.095 ( 0.261 -0.030 -0.543) 0.603 17.202 ( -0.581 -1.417 -1.569) 2.192 17.246 ( -1.380 0.073 0.628) 1.518 17.317 ( 0.565 -0.229 -0.356) 0.706 17.352 ( 1.912 0.764 -0.774) 2.199 17.412 ( -1.802 0.636 -0.626) 2.011 17.714 ( -4.842 2.781 0.586) 5.615 17.831 ( -0.694 0.619 0.207) 0.952 19.725 ( 6.719 0.092 -0.291) 6.726 20.555 ( -0.615 1.870 0.366) 2.003 20.665 ( 1.828 2.667 -0.641) 3.297 21.096 ( 22.812 18.073 -12.986) 31.869 27.107 ( -2.069 0.748 -0.337) 2.226 27.180 ( 1.770 0.107 0.089) 1.775 27.589 ( -0.121 -0.504 0.056) 0.522 27.684 ( 0.042 0.801 -0.899) 1.204 30.468 ( -0.775 2.021 0.288) 2.184 30.737 ( -0.105 3.059 0.278) 3.073 33.146 ( -1.324 -0.731 -0.007) 1.512 33.349 ( 1.337 2.845 0.823) 3.249 33.696 ( 0.407 -2.367 -0.858) 2.550 34.118 ( -1.361 2.099 0.107) 2.504 34.293 ( 1.839 -3.718 1.568) 4.434 34.513 ( -0.458 -3.621 -8.131) 8.913 34.617 ( 1.607 -7.601 8.108) 11.229 35.525 ( -2.135 0.098 4.842) 5.293 35.543 ( -7.873 -5.482 -7.957) 12.463 36.183 ( -5.724 2.137 -0.285) 6.117 39.235 ( 0.584 -18.038 -0.748) 18.063 42.190 ( -33.015 -7.690 -9.289) 35.149 46.192 ( 1.732 -1.668 -0.059) 2.406 46.389 ( 0.518 -1.167 -1.588) 2.038 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.083 0.316 4.575) 5.526 1.245 ( 13.698 -18.916 -12.488) 26.484 1.436 ( -4.086 -16.942 -1.020) 17.457 1.661 ( 1.868 -1.023 -1.674) 2.709 2.024 ( 4.937 -13.217 7.749) 16.097 2.125 ( 3.031 5.061 3.071) 6.651 2.275 ( -5.242 5.482 3.740) 8.457 2.387 ( -1.353 -1.135 2.461) 3.029 2.441 ( -0.365 -4.427 0.066) 4.443 2.529 ( 1.646 -3.506 -5.558) 6.775 2.648 ( -0.915 -2.176 -1.448) 2.769 2.717 ( -3.996 -7.267 4.207) 9.299 2.808 ( 1.536 -1.230 -0.862) 2.149 2.945 ( 2.271 1.273 -2.293) 3.469 2.966 ( -0.495 3.070 -5.214) 6.071 3.024 ( -1.187 -4.665 -0.897) 4.897 3.092 ( -4.990 7.669 2.730) 9.548 3.148 ( -4.801 3.522 -1.365) 6.109 3.206 ( -0.451 2.686 -0.283) 2.738 3.287 ( 3.287 1.810 -5.741) 6.858 3.350 ( 1.327 3.235 0.162) 3.500 3.398 ( -1.211 1.399 1.366) 2.300 3.463 ( -2.365 0.806 0.509) 2.550 3.546 ( -3.642 1.177 3.119) 4.937 3.552 ( 1.370 2.420 0.891) 2.920 3.670 ( -0.515 -0.425 -2.294) 2.389 3.697 ( 2.056 3.129 3.148) 4.892 3.795 ( -2.737 2.653 0.078) 3.812 4.012 ( 3.936 -6.627 1.336) 7.823 4.053 ( -4.142 -1.570 0.439) 4.451 4.156 ( 1.191 -2.785 -0.535) 3.075 4.171 ( -2.507 -0.528 -1.424) 2.931 4.183 ( 1.357 0.023 -1.882) 2.320 4.335 ( 3.263 -0.770 0.643) 3.414 4.414 ( -0.129 0.730 0.732) 1.042 4.517 ( -2.237 -0.221 3.630) 4.269 4.635 ( -4.798 1.581 -0.587) 5.086 4.859 ( -0.208 -0.283 0.350) 0.496 5.000 ( 3.655 -1.738 -0.382) 4.065 5.229 ( 3.022 3.462 -0.555) 4.629 9.152 ( -1.259 -2.485 0.032) 2.786 9.326 ( 1.769 -5.878 -0.265) 6.145 9.649 ( -0.741 -4.459 -0.172) 4.523 11.803 ( 2.947 5.253 -2.414) 6.489 12.433 ( -2.335 1.149 0.228) 2.613 12.597 ( 2.283 0.895 -0.182) 2.459 12.640 ( -1.850 -0.327 0.207) 1.890 12.821 ( 1.571 -0.721 -0.128) 1.733 13.375 ( 1.626 -1.936 -0.089) 2.530 14.766 ( 36.047 6.125 -2.988) 36.686 15.223 ( 0.033 -0.983 0.421) 1.070 15.339 ( 2.323 -0.974 1.256) 2.814 17.105 ( 0.555 -0.662 -0.466) 0.981 17.221 ( -0.827 -1.223 -2.041) 2.519 17.242 ( -0.696 -0.384 1.568) 1.758 17.318 ( 0.343 0.714 -1.095) 1.352 17.339 ( 0.358 0.867 -0.829) 1.251 17.383 ( -1.385 1.099 0.490) 1.835 17.629 ( -5.313 1.707 0.692) 5.623 17.822 ( -0.036 0.121 0.132) 0.183 19.753 ( 5.397 1.624 -0.077) 5.636 20.516 ( -0.134 1.701 0.331) 1.738 20.633 ( 3.483 2.440 -0.436) 4.275 20.881 ( 7.731 13.334 -5.177) 16.259 27.088 ( -1.104 -0.104 -0.298) 1.148 27.192 ( 1.573 0.081 0.014) 1.575 27.597 ( -0.198 -0.349 0.078) 0.409 27.672 ( 0.132 0.352 -0.435) 0.574 30.414 ( -1.447 2.416 0.286) 2.831 30.680 ( 0.212 2.655 0.218) 2.672 33.154 ( -1.638 -1.290 -0.012) 2.085 33.302 ( 1.890 3.258 0.344) 3.782 33.747 ( -0.608 -3.156 -0.347) 3.232 34.054 ( 1.288 4.449 -0.132) 4.633 34.376 ( 2.159 -1.857 3.201) 4.285 34.539 ( -1.466 -3.367 -4.517) 5.821 34.815 ( 0.705 -8.258 2.558) 8.674 35.515 ( -0.825 0.259 1.332) 1.588 35.570 ( -5.160 -3.364 -3.047) 6.872 36.110 ( -3.798 1.466 -0.039) 4.071 39.577 ( 0.473 -15.484 0.068) 15.491 42.082 ( -16.583 -2.134 -4.151) 17.228 46.237 ( 1.242 -1.609 -0.009) 2.033 46.413 ( 0.282 -1.062 -0.688) 1.296 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.081 0.846 0.883) 1.225 1.593 ( -0.531 -3.734 -1.344) 4.004 1.684 ( 0.351 -10.048 -2.246) 10.301 1.761 ( 12.807 -10.404 -6.668) 17.796 1.974 ( -4.622 8.251 7.179) 11.873 2.143 ( -3.987 2.668 0.222) 4.802 2.339 ( 4.080 -9.467 -0.872) 10.346 2.401 ( 0.839 -0.147 4.221) 4.306 2.539 ( 2.575 -1.359 -2.621) 3.918 2.570 ( -2.326 0.374 4.363) 4.958 2.614 ( -1.321 0.628 1.099) 1.829 2.728 ( -4.831 2.702 -4.554) 7.168 2.833 ( 0.156 -1.535 1.517) 2.164 2.851 ( -0.533 1.653 -2.349) 2.921 2.949 ( -1.978 6.128 0.807) 6.490 2.993 ( 2.302 -1.488 0.781) 2.850 3.100 ( 1.869 0.986 -7.293) 7.593 3.117 ( -0.927 -3.473 1.163) 3.778 3.148 ( -2.365 -2.364 -0.040) 3.344 3.236 ( -0.002 5.494 4.111) 6.862 3.327 ( 0.705 -0.290 -0.253) 0.803 3.370 ( 0.647 0.554 -1.050) 1.352 3.405 ( -1.767 1.764 -1.442) 2.883 3.512 ( -1.226 0.414 0.211) 1.312 3.532 ( 0.780 2.000 3.011) 3.698 3.640 ( -1.464 0.900 -0.056) 1.720 3.669 ( 1.182 0.994 0.945) 1.811 3.797 ( 0.885 -1.395 -0.750) 1.815 4.054 ( -2.192 -0.780 1.056) 2.555 4.122 ( -0.729 1.682 -0.095) 1.836 4.169 ( 4.333 -5.000 0.717) 6.655 4.185 ( -0.067 -0.848 -0.976) 1.294 4.249 ( -0.595 -2.882 -0.829) 3.057 4.345 ( -0.056 1.012 -0.829) 1.309 4.367 ( -1.621 2.664 0.750) 3.208 4.532 ( -0.861 -1.023 3.033) 3.314 4.588 ( -0.838 0.402 -2.241) 2.426 4.870 ( 0.257 -0.435 0.172) 0.534 5.048 ( 1.698 -0.770 0.072) 1.866 5.179 ( 0.418 2.058 -0.392) 2.136 9.183 ( -0.112 -0.945 0.041) 0.952 9.433 ( 0.885 -3.245 -0.197) 3.369 9.689 ( 0.209 -0.371 -0.021) 0.426 11.733 ( 0.331 2.259 -0.654) 2.375 12.405 ( -0.810 0.423 0.081) 0.918 12.598 ( 1.283 0.406 -0.080) 1.348 12.632 ( -1.178 -0.139 0.066) 1.188 12.838 ( 0.553 -0.229 -0.037) 0.600 13.413 ( 0.627 -0.884 0.003) 1.084 14.878 ( 13.791 1.935 -0.858) 13.952 15.236 ( -0.022 -0.337 0.096) 0.351 15.358 ( 0.098 -0.083 0.610) 0.623 17.120 ( 0.390 -0.391 -0.174) 0.579 17.227 ( -0.476 -0.309 -0.676) 0.883 17.251 ( -0.072 -0.296 0.518) 0.601 17.298 ( -1.443 -0.025 -0.794) 1.647 17.336 ( 1.775 0.353 -0.295) 1.834 17.352 ( -1.289 0.942 0.581) 1.699 17.581 ( -2.117 0.417 0.272) 2.175 17.823 ( 0.070 -0.058 0.047) 0.103 19.752 ( 2.055 1.050 -0.008) 2.308 20.494 ( 0.196 0.597 0.129) 0.641 20.629 ( 3.980 0.648 0.260) 4.041 20.712 ( -1.176 5.300 -1.788) 5.715 27.088 ( -0.247 -0.223 -0.115) 0.352 27.199 ( 0.622 0.026 -0.006) 0.622 27.600 ( -0.109 -0.110 0.037) 0.160 27.669 ( 0.087 0.057 -0.144) 0.177 30.369 ( -0.753 1.100 0.117) 1.338 30.645 ( 0.146 1.039 0.081) 1.053 33.169 ( -1.119 -1.131 0.011) 1.591 33.261 ( 1.278 1.974 0.052) 2.352 33.804 ( -1.164 -2.952 0.009) 3.173 33.977 ( 1.738 3.890 -0.167) 4.264 34.404 ( 0.221 -0.278 1.248) 1.297 34.598 ( 0.316 -2.361 -1.411) 2.769 34.927 ( -0.392 -2.843 0.524) 2.917 35.509 ( -0.297 0.098 0.302) 0.435 35.585 ( -1.598 -1.149 -0.698) 2.089 36.072 ( -1.368 0.418 -0.050) 1.432 39.795 ( 0.177 -5.963 0.138) 5.967 42.019 ( -5.119 -0.398 -1.220) 5.277 46.266 ( 0.466 -0.651 0.002) 0.801 46.429 ( 0.093 -0.431 -0.194) 0.481 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 21.321 0.000 1.044) 21.346 0.338 ( 17.860 0.000 18.324) 25.588 0.612 ( 33.875 0.000 26.868) 43.236 1.444 ( 2.378 0.000 -4.001) 4.655 1.871 ( -6.943 -0.000 -6.571) 9.559 1.980 ( 0.923 0.000 -0.558) 1.078 2.247 ( 6.349 0.000 -4.715) 7.908 2.332 ( -2.005 -0.000 2.579) 3.267 2.442 ( -3.024 -0.000 2.973) 4.240 2.507 ( -3.165 -0.000 -0.658) 3.233 2.546 ( -0.116 -0.000 3.839) 3.841 2.613 ( -4.324 -0.000 -2.839) 5.172 2.656 ( -0.345 -0.000 -3.904) 3.920 3.005 ( 0.461 0.000 -1.235) 1.318 3.020 ( -3.328 -0.000 1.250) 3.555 3.041 ( 0.458 0.000 -0.227) 0.511 3.119 ( 3.137 0.000 -0.955) 3.279 3.164 ( -5.308 -0.000 -2.993) 6.094 3.292 ( -2.303 -0.000 0.352) 2.330 3.378 ( 2.899 0.000 -7.697) 8.225 3.415 ( 2.271 0.000 1.728) 2.854 3.450 ( -0.348 -0.000 -0.628) 0.718 3.482 ( 2.390 0.000 3.319) 4.090 3.615 ( -5.155 -0.000 2.938) 5.934 3.628 ( 3.942 0.000 -11.746) 12.390 3.666 ( -1.708 -0.000 -1.755) 2.448 3.875 ( 0.741 0.000 -2.017) 2.149 3.914 ( -1.686 -0.000 4.515) 4.820 3.985 ( 0.062 0.000 -0.808) 0.810 4.062 ( -4.410 -0.000 16.838) 17.406 4.073 ( -6.194 -0.000 4.787) 7.828 4.146 ( -8.231 -0.000 0.965) 8.287 4.197 ( 0.047 0.000 1.534) 1.535 4.282 ( -1.374 -0.000 -4.857) 5.048 4.502 ( 2.776 0.000 -0.740) 2.872 4.651 ( 0.412 0.000 -3.581) 3.605 4.747 ( -0.180 -0.000 -2.053) 2.060 4.767 ( -8.601 -0.000 1.383) 8.712 4.896 ( 3.558 0.000 1.721) 3.952 5.006 ( -6.928 -0.000 0.941) 6.992 9.124 ( 6.217 0.000 0.378) 6.228 9.132 ( 3.263 0.000 0.093) 3.264 9.274 ( 59.787 0.000 12.911) 61.166 12.220 ( 2.175 0.000 -19.403) 19.525 12.524 ( -4.625 -0.000 -0.606) 4.664 12.585 ( -3.003 -0.000 0.802) 3.109 12.671 ( 4.447 0.000 0.469) 4.472 12.740 ( 3.105 0.000 -0.562) 3.155 13.438 ( 10.967 0.000 0.589) 10.983 15.160 ( 1.385 0.000 0.071) 1.386 15.218 ( 1.404 0.000 0.193) 1.418 16.342 ( 13.120 0.000 -49.140) 50.862 17.135 ( -0.506 -0.000 0.385) 0.636 17.171 ( -0.769 -0.000 -1.406) 1.603 17.228 ( 5.461 0.000 -20.578) 21.290 17.293 ( 0.936 0.000 0.598) 1.111 17.316 ( -1.438 -0.000 -1.127) 1.827 17.388 ( 1.146 0.000 1.357) 1.776 17.792 ( -2.426 -0.000 -0.254) 2.439 17.857 ( -1.764 -0.000 0.694) 1.896 19.723 ( 6.532 0.000 1.732) 6.758 20.601 ( 0.048 0.000 -0.497) 0.500 20.718 ( -0.253 -0.000 -0.070) 0.263 23.083 ( 67.663 0.000 -287.634) 295.485 27.140 ( -1.528 -0.000 -0.595) 1.640 27.169 ( -0.830 -0.000 0.429) 0.934 27.585 ( 0.209 0.000 0.019) 0.210 27.684 ( 4.543 0.000 -20.277) 20.780 30.492 ( -1.761 -0.000 0.022) 1.761 30.810 ( 0.308 0.000 -0.627) 0.698 33.133 ( -1.397 -0.000 0.157) 1.406 33.416 ( 1.061 0.000 2.314) 2.546 33.623 ( -1.110 -0.000 -0.388) 1.176 34.026 ( 2.745 0.000 0.233) 2.755 34.113 ( -6.072 -0.000 3.110) 6.822 34.240 ( 0.909 0.000 0.606) 1.092 34.317 ( 2.854 0.000 11.119) 11.480 34.821 ( 1.298 0.000 0.852) 1.553 35.535 ( -0.411 -0.000 0.006) 0.411 36.125 ( -3.342 -0.000 1.370) 3.612 38.837 ( 3.985 0.000 -19.803) 20.200 40.212 ( -0.963 -0.000 1.950) 2.175 46.181 ( 0.961 0.000 0.067) 0.964 46.360 ( 2.760 0.000 -12.152) 12.462 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 10.004 -13.635 -1.185) 16.953 0.670 ( 20.502 -8.034 5.662) 22.736 1.167 ( 19.700 -18.397 22.003) 34.795 1.408 ( 3.971 2.249 -2.491) 5.200 1.764 ( 0.278 1.860 -6.296) 6.571 2.085 ( -3.159 -7.940 -0.354) 8.552 2.283 ( 1.532 -0.208 -3.891) 4.187 2.366 ( -4.126 -2.469 3.945) 6.220 2.392 ( -2.889 3.719 -2.859) 5.509 2.457 ( -3.786 -2.576 4.639) 6.519 2.526 ( -0.221 -1.405 1.105) 1.801 2.594 ( -2.064 2.917 -2.693) 4.474 2.734 ( -0.784 -5.791 -4.542) 7.401 2.959 ( -2.144 1.465 0.855) 2.734 2.983 ( 2.615 4.960 -2.169) 6.012 3.026 ( -1.721 -0.015 -1.403) 2.220 3.132 ( -3.364 -1.670 -2.388) 4.451 3.208 ( -1.020 -5.887 1.481) 6.155 3.288 ( -0.554 -1.938 0.243) 2.030 3.305 ( 3.858 4.443 -5.682) 8.180 3.377 ( 2.365 3.040 -1.736) 4.225 3.422 ( -1.636 0.645 2.522) 3.074 3.479 ( 2.636 0.261 -2.083) 3.369 3.566 ( 0.244 -1.438 3.397) 3.697 3.618 ( -3.039 0.571 -2.892) 4.234 3.705 ( -3.463 2.866 0.624) 4.539 3.832 ( -2.420 4.666 -5.603) 7.682 3.899 ( -2.139 -1.138 1.950) 3.110 3.913 ( -0.338 4.286 6.671) 7.936 4.003 ( -0.245 1.484 -0.255) 1.526 4.078 ( -0.843 -4.174 1.089) 4.395 4.188 ( -4.480 -1.726 4.832) 6.812 4.217 ( 0.210 2.557 -2.510) 3.589 4.291 ( -1.673 -5.748 -0.872) 6.050 4.445 ( 7.528 7.807 -5.683) 12.244 4.562 ( -3.127 -1.654 3.959) 5.309 4.661 ( -6.183 3.062 2.933) 7.497 4.865 ( -3.945 -5.215 -2.084) 6.863 4.892 ( -4.560 1.261 2.325) 5.272 5.177 ( -6.082 -10.910 1.346) 12.563 9.115 ( 6.574 2.117 0.562) 6.929 9.199 ( 6.399 -1.464 0.648) 6.596 9.648 ( 55.782 8.820 5.299) 56.723 12.083 ( 4.212 9.143 -10.423) 14.491 12.479 ( -3.886 0.954 -0.075) 4.003 12.574 ( -3.364 -0.981 0.581) 3.552 12.684 ( 4.143 1.507 0.373) 4.425 12.781 ( 2.781 -1.260 -0.400) 3.079 13.448 ( 16.459 7.073 -0.412) 17.919 15.181 ( 1.566 -0.611 0.135) 1.686 15.214 ( 5.854 3.358 -4.299) 8.001 15.613 ( 50.290 40.031 -17.936) 66.733 17.101 ( 0.099 0.803 -0.747) 1.101 17.171 ( -0.706 -0.889 -2.097) 2.385 17.239 ( -0.650 0.130 -1.183) 1.356 17.311 ( 0.895 -0.748 0.291) 1.202 17.359 ( -0.770 -1.240 -4.469) 4.701 17.403 ( -0.416 -0.238 0.957) 1.070 17.743 ( -3.988 3.032 0.361) 5.022 17.824 ( -2.637 0.376 0.508) 2.711 19.799 ( 11.120 -0.371 1.102) 11.181 20.585 ( -0.138 1.383 -0.488) 1.473 20.706 ( 0.210 1.073 0.137) 1.102 21.981 ( 56.164 55.967 -69.193) 105.235 27.113 ( -1.675 1.229 -0.829) 2.237 27.179 ( -0.249 -1.069 0.365) 1.157 27.583 ( 0.359 -0.090 -0.033) 0.372 27.691 ( -0.021 0.078 -4.246) 4.247 30.492 ( -0.912 0.358 -0.202) 1.000 30.784 ( -0.388 2.121 0.372) 2.188 33.125 ( -1.668 -0.321 0.123) 1.703 33.409 ( 1.274 1.934 2.167) 3.172 33.656 ( 0.622 -2.311 -2.418) 3.402 34.097 ( -4.304 -1.938 0.205) 4.725 34.233 ( 0.588 -1.689 -0.759) 1.943 34.414 ( 5.933 -7.321 -4.559) 10.468 34.533 ( -5.903 -7.778 6.964) 11.993 35.136 ( -19.966 -24.432 -6.070) 32.131 35.529 ( -0.469 0.250 -0.258) 0.590 36.133 ( -7.475 -1.838 0.856) 7.745 38.937 ( 1.273 -11.512 -4.475) 12.417 41.186 ( -48.185 -59.682 -14.648) 78.092 46.190 ( 2.244 -0.292 -0.050) 2.263 46.367 ( 0.781 -0.848 -4.786) 4.923 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 4.021 -17.511 -4.479) 18.517 1.012 ( 19.902 -11.668 0.524) 23.076 1.301 ( 6.772 3.055 -0.752) 7.467 1.620 ( 4.030 -7.717 3.692) 9.456 1.887 ( 9.905 -7.022 6.265) 13.663 2.200 ( -3.070 -4.963 4.965) 7.662 2.249 ( -1.850 -2.136 1.182) 3.063 2.323 ( -5.728 0.370 0.003) 5.740 2.422 ( 4.576 -0.580 -4.710) 6.592 2.487 ( -0.584 0.014 -7.476) 7.499 2.540 ( -3.992 -7.187 8.261) 11.654 2.600 ( 1.448 -1.990 0.076) 2.462 2.819 ( 0.322 -2.210 0.652) 2.326 2.900 ( -6.240 -0.621 0.078) 6.271 2.931 ( 0.650 1.388 -4.213) 4.483 3.025 ( 2.313 -0.547 -3.094) 3.902 3.135 ( -3.445 -0.882 -0.913) 3.672 3.208 ( -3.424 6.158 4.097) 8.151 3.285 ( -5.017 0.289 -3.338) 6.033 3.311 ( 0.657 -0.957 -7.328) 7.419 3.356 ( 2.495 3.091 -3.317) 5.175 3.390 ( -1.981 -1.845 2.877) 3.950 3.460 ( -0.064 2.055 -1.741) 2.694 3.581 ( -0.885 3.515 4.419) 5.715 3.595 ( 1.218 0.152 1.507) 1.944 3.668 ( 1.729 -2.196 -2.027) 3.452 3.719 ( -4.497 1.909 -1.848) 5.223 3.848 ( -1.359 3.670 3.426) 5.201 3.939 ( 2.700 -3.085 -0.826) 4.182 3.996 ( -2.026 -0.600 1.702) 2.713 4.117 ( 0.576 0.547 -1.890) 2.050 4.142 ( -3.391 -0.197 -0.579) 3.446 4.213 ( 0.429 -0.578 0.485) 0.868 4.380 ( 1.635 -0.611 2.401) 2.969 4.385 ( 1.869 -0.127 -2.641) 3.238 4.506 ( -6.580 1.519 4.881) 8.332 4.613 ( -4.467 0.509 1.162) 4.643 4.841 ( -3.250 0.196 1.206) 3.472 4.942 ( -2.594 -5.098 -1.712) 5.971 5.251 ( -4.102 -1.557 0.484) 4.414 9.142 ( 5.599 0.150 0.328) 5.611 9.289 ( 6.710 -2.371 0.738) 7.155 9.867 ( 50.121 9.878 -0.094) 51.085 11.928 ( 0.107 7.335 -4.476) 8.593 12.436 ( -2.550 0.918 0.205) 2.718 12.569 ( -3.670 -1.053 0.279) 3.828 12.684 ( 4.151 1.727 0.073) 4.496 12.817 ( 1.635 -0.785 -0.231) 1.828 13.454 ( 15.581 4.693 -0.424) 16.278 15.165 ( 14.614 6.560 -8.379) 18.078 15.220 ( 3.771 0.093 1.110) 3.932 15.440 ( 19.862 11.347 1.297) 22.911 17.096 ( 0.015 -0.347 -0.633) 0.722 17.185 ( -0.688 -1.413 -2.026) 2.564 17.236 ( -0.030 -0.073 0.594) 0.599 17.322 ( -2.050 0.747 -2.176) 3.081 17.337 ( -1.478 0.047 -1.153) 1.875 17.402 ( 0.428 0.623 1.300) 1.504 17.643 ( -4.045 3.194 0.559) 5.184 17.809 ( -2.344 -0.511 0.224) 2.409 19.874 ( 12.837 2.781 0.731) 13.155 20.550 ( -0.306 1.864 -0.338) 1.919 20.684 ( 1.049 1.698 0.355) 2.028 21.380 ( 18.626 31.593 -20.377) 41.955 27.085 ( -0.361 0.441 -0.733) 0.928 27.197 ( 0.296 -0.593 0.152) 0.680 27.589 ( 0.161 -0.283 0.090) 0.338 27.678 ( -0.344 0.342 -1.270) 1.360 30.459 ( -0.337 2.438 -0.034) 2.462 30.731 ( -0.891 2.783 0.600) 2.983 33.122 ( -1.649 -0.733 0.037) 1.805 33.377 ( 1.617 2.726 1.145) 3.370 33.700 ( 0.550 -1.935 -1.249) 2.367 34.097 ( -1.360 -0.205 -0.026) 1.376 34.323 ( 1.032 -6.204 1.736) 6.524 34.496 ( 0.926 1.262 -4.052) 4.344 34.669 ( 2.383 -8.790 4.936) 10.359 35.336 ( -14.344 -12.774 -4.474) 19.722 35.519 ( -0.279 0.296 -0.939) 1.023 36.093 ( -5.871 0.193 1.236) 6.003 39.242 ( 0.730 -18.175 -1.009) 18.218 41.641 ( -31.163 -25.976 -8.098) 41.370 46.223 ( 2.357 -1.136 -0.002) 2.617 46.386 ( -0.249 -1.393 -1.907) 2.374 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 9.171 2.081 -0.475) 9.416 1.367 ( 5.443 -13.420 -1.915) 14.607 1.493 ( 11.644 -14.871 -1.595) 18.954 1.712 ( 5.668 -1.816 -4.076) 7.214 2.061 ( -0.609 -1.972 4.273) 4.745 2.201 ( -3.809 -0.838 2.339) 4.547 2.219 ( 0.492 3.237 3.078) 4.493 2.371 ( -0.423 -3.426 2.605) 4.325 2.471 ( 3.228 -6.229 -0.188) 7.018 2.561 ( 2.137 -1.006 0.048) 2.362 2.601 ( 0.313 -1.459 -4.485) 4.727 2.681 ( -3.798 -4.206 4.176) 7.039 2.837 ( 1.614 -0.256 1.663) 2.331 2.906 ( -4.190 -2.074 4.754) 6.668 2.939 ( -0.790 -0.570 -7.469) 7.532 3.013 ( -4.618 5.466 3.251) 7.859 3.057 ( -1.552 -0.775 0.140) 1.741 3.100 ( 3.795 1.542 -5.326) 6.719 3.195 ( -0.356 5.084 0.095) 5.098 3.309 ( 0.649 1.443 -6.129) 6.330 3.332 ( -1.313 -1.447 -5.618) 5.948 3.394 ( -0.499 2.502 3.274) 4.151 3.412 ( -3.388 1.321 -1.126) 3.807 3.532 ( -0.154 1.405 2.977) 3.295 3.571 ( -0.530 2.364 2.798) 3.701 3.631 ( -2.970 1.168 -1.376) 3.475 3.743 ( 2.213 3.633 2.073) 4.732 3.778 ( 0.977 -1.495 -1.195) 2.149 3.990 ( -4.612 -1.881 0.441) 5.001 4.061 ( 0.324 -6.104 -0.402) 6.126 4.118 ( -0.792 -0.905 -0.434) 1.279 4.170 ( 0.945 -3.702 0.350) 3.837 4.217 ( 2.341 0.840 0.671) 2.576 4.361 ( -0.964 1.073 -1.601) 2.155 4.393 ( -3.116 1.372 3.463) 4.856 4.495 ( -1.553 -2.148 3.226) 4.175 4.565 ( -3.845 0.035 -1.571) 4.154 4.840 ( -2.685 -1.754 0.262) 3.218 5.008 ( -2.208 -3.430 -0.783) 4.153 5.211 ( -3.108 2.132 -0.399) 3.791 9.184 ( 4.356 -0.261 0.248) 4.371 9.382 ( 3.413 -2.777 0.266) 4.408 10.009 ( 46.628 13.259 -1.031) 48.487 11.786 ( -3.722 4.962 -1.534) 6.390 12.409 ( -0.898 0.491 0.173) 1.038 12.559 ( -4.082 -0.980 0.124) 4.200 12.682 ( 4.376 1.740 -0.106) 4.710 12.835 ( 0.272 -0.331 -0.095) 0.439 13.488 ( 14.171 3.718 -0.030) 14.651 15.097 ( 8.857 10.513 -6.808) 15.340 15.242 ( 1.858 0.296 2.681) 3.275 15.373 ( 0.111 2.954 2.700) 4.003 17.109 ( 0.069 -0.849 -0.363) 0.926 17.203 ( -0.823 -1.089 -1.868) 2.313 17.236 ( -3.224 -0.818 0.717) 3.403 17.268 ( -2.355 0.307 -0.810) 2.509 17.344 ( 0.692 -0.113 0.030) 0.702 17.385 ( 0.024 1.475 0.892) 1.724 17.588 ( 0.234 0.953 -0.186) 0.998 17.806 ( -2.066 -0.829 0.144) 2.231 19.876 ( 10.857 6.203 0.491) 12.514 20.514 ( -0.391 1.430 -0.319) 1.517 20.660 ( 0.561 1.494 0.320) 1.628 20.934 ( 0.193 18.442 -6.337) 19.501 27.087 ( 1.157 -0.188 -0.495) 1.272 27.204 ( 0.045 0.003 0.051) 0.068 27.595 ( -0.034 -0.247 0.101) 0.269 27.671 ( -0.070 0.088 -0.507) 0.519 30.406 ( 0.431 2.647 -0.020) 2.682 30.673 ( -1.392 2.275 0.462) 2.707 33.130 ( -1.406 -1.348 -0.006) 1.947 33.331 ( 1.631 3.362 0.339) 3.752 33.739 ( -0.320 -2.463 -0.270) 2.498 34.074 ( 1.331 3.097 -0.365) 3.391 34.417 ( 1.294 0.789 3.417) 3.738 34.500 ( -1.474 -5.749 -2.919) 6.614 34.852 ( 3.466 -6.419 1.683) 7.487 35.440 ( -10.126 -8.286 -1.002) 13.122 35.513 ( 0.321 -0.109 -3.026) 3.045 36.062 ( -2.760 -0.250 1.554) 3.177 39.585 ( 0.472 -15.341 0.086) 15.349 41.819 ( -14.972 -13.126 -3.587) 20.232 46.260 ( 1.793 -0.816 0.026) 1.970 46.408 ( -0.635 -1.395 -0.754) 1.708 ======================= Grid point 14 (10/115) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 12.842 5.154 -1.108) 13.882 1.587 ( 0.847 -5.594 0.491) 5.679 1.717 ( 3.833 -6.584 -1.054) 7.691 1.850 ( -8.849 5.071 1.499) 10.309 1.947 ( 5.628 1.829 0.857) 5.980 2.150 ( 6.000 -1.530 -0.796) 6.243 2.346 ( -0.192 -4.042 -0.158) 4.049 2.444 ( 0.308 1.704 2.141) 2.754 2.498 ( -2.457 -2.011 1.821) 3.660 2.569 ( -2.476 1.442 -4.226) 5.105 2.646 ( 1.241 0.062 -7.701) 7.801 2.705 ( 7.569 -3.078 5.499) 9.849 2.832 ( -2.529 -0.891 4.287) 5.056 2.851 ( 0.453 -0.395 0.771) 0.977 2.892 ( -3.665 3.203 -1.097) 4.990 3.022 ( 0.664 1.461 3.237) 3.613 3.078 ( -2.243 -1.591 1.243) 3.018 3.123 ( 0.873 -4.450 -5.622) 7.222 3.151 ( 2.655 0.556 1.903) 3.313 3.245 ( -0.236 4.846 1.755) 5.159 3.321 ( -2.287 0.637 -0.239) 2.386 3.361 ( -0.021 -1.005 -2.906) 3.075 3.376 ( -1.303 -0.684 -1.718) 2.263 3.504 ( -1.050 0.927 -1.604) 2.129 3.538 ( -0.235 1.480 1.612) 2.200 3.608 ( -2.038 -0.704 -0.059) 2.157 3.699 ( 2.688 2.679 -0.241) 3.803 3.809 ( 0.757 -0.313 0.019) 0.820 4.018 ( -2.784 -3.217 0.791) 4.327 4.076 ( -4.225 -1.575 -1.289) 4.689 4.185 ( 1.273 -0.903 -1.255) 2.002 4.243 ( 1.667 0.441 2.742) 3.239 4.255 ( 3.048 -2.052 -1.515) 3.974 4.306 ( -4.394 -0.735 2.233) 4.984 4.348 ( -1.424 0.508 0.424) 1.570 4.534 ( 0.503 -0.825 -1.880) 2.114 4.562 ( -2.285 -2.103 2.481) 3.974 4.847 ( -4.054 -1.235 -0.067) 4.238 5.027 ( -2.866 -0.663 -0.976) 3.100 5.155 ( -1.769 0.942 -0.110) 2.007 9.211 ( 3.581 0.687 0.155) 3.650 9.429 ( -1.644 -0.980 -0.120) 1.917 10.053 ( 42.970 16.583 -0.636) 46.063 11.694 ( -5.508 0.465 -0.030) 5.528 12.406 ( 0.789 -0.202 0.031) 0.815 12.547 ( -4.350 -1.081 0.109) 4.484 12.684 ( 4.434 1.505 -0.143) 4.685 12.835 ( -0.954 0.048 -0.003) 0.955 13.509 ( 12.763 4.854 0.158) 13.656 14.838 ( -17.994 10.319 -2.150) 20.853 15.249 ( 0.894 0.379 1.601) 1.873 15.355 ( -0.432 -0.160 0.156) 0.486 17.118 ( -0.581 -0.231 -0.135) 0.640 17.212 ( -1.251 -1.531 -0.695) 2.096 17.248 ( -2.901 -2.717 0.112) 3.976 17.265 ( 1.202 0.387 0.618) 1.406 17.339 ( -0.832 1.006 0.107) 1.309 17.365 ( 1.261 0.442 0.322) 1.374 17.600 ( 4.246 -0.239 -0.608) 4.295 17.807 ( -2.215 -0.788 0.082) 2.352 19.815 ( 6.016 6.154 0.226) 8.609 20.487 ( -1.475 0.601 -0.549) 1.685 20.604 ( -5.882 3.070 -0.718) 6.674 20.713 ( 1.105 2.915 -0.052) 3.118 27.099 ( 1.747 0.142 -0.197) 1.764 27.197 ( -0.834 0.362 0.029) 0.909 27.599 ( 0.009 -0.192 0.036) 0.196 27.669 ( -0.002 0.060 -0.142) 0.154 30.377 ( 1.705 0.964 -0.116) 1.962 30.632 ( -1.781 0.563 0.227) 1.882 33.155 ( -0.734 -2.015 -0.022) 2.144 33.276 ( 0.748 3.064 0.049) 3.155 33.797 ( 0.111 -3.601 0.060) 3.604 33.992 ( 0.469 5.324 -0.126) 5.346 34.408 ( 0.072 0.249 -0.626) 0.678 34.584 ( -1.775 -2.841 1.138) 3.538 34.964 ( 4.648 -1.359 0.830) 4.913 35.498 ( -4.190 -2.526 5.881) 7.650 35.528 ( -1.677 -3.478 -8.928) 9.727 36.068 ( 0.168 -0.975 1.606) 1.886 39.798 ( 0.128 -5.670 0.114) 5.673 41.947 ( -3.561 -8.232 -0.834) 9.008 46.276 ( 0.788 0.232 0.021) 0.822 46.423 ( -0.618 -0.709 -0.203) 0.962 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 11.389 6.211 -4.702) 13.799 1.486 ( -16.988 15.316 8.364) 24.355 1.665 ( 2.614 0.825 0.905) 2.886 1.786 ( 6.688 7.058 3.545) 10.350 2.011 ( 3.163 -5.033 -3.416) 6.856 2.200 ( -5.970 4.873 -3.532) 8.477 2.223 ( 1.838 6.094 -2.664) 6.901 2.386 ( -2.838 -0.164 1.496) 3.212 2.515 ( 0.063 1.611 -0.158) 1.620 2.621 ( 8.321 0.118 -5.189) 9.807 2.669 ( 1.596 -0.392 -1.011) 1.929 2.788 ( 2.570 -4.040 1.852) 5.134 2.836 ( 0.936 0.819 0.883) 1.526 2.871 ( -1.537 0.191 4.442) 4.704 2.943 ( -2.325 1.840 3.506) 4.592 2.961 ( -0.677 -6.676 0.248) 6.715 3.104 ( -0.859 -0.620 4.112) 4.246 3.137 ( 2.412 1.015 -0.925) 2.776 3.188 ( 2.110 -0.472 0.558) 2.233 3.228 ( 1.023 -4.417 -3.789) 5.909 3.307 ( -2.264 2.183 0.523) 3.189 3.350 ( -1.453 -2.961 -0.936) 3.429 3.425 ( 0.552 -2.828 0.184) 2.887 3.492 ( -2.662 -1.893 -0.906) 3.389 3.555 ( 2.929 -1.279 -2.485) 4.049 3.634 ( 0.781 -3.193 -0.770) 3.376 3.677 ( 1.556 0.638 -0.857) 1.888 3.783 ( -1.662 1.851 0.466) 2.531 4.047 ( -3.236 -0.890 -0.968) 3.493 4.103 ( -1.854 -2.085 -1.489) 3.163 4.125 ( -0.993 3.112 1.781) 3.720 4.203 ( 1.492 2.978 1.112) 3.512 4.274 ( 2.565 2.085 -1.763) 3.746 4.335 ( -1.132 0.126 0.459) 1.228 4.368 ( -2.415 -2.652 3.152) 4.776 4.525 ( -0.137 0.346 -4.376) 4.392 4.620 ( 2.718 -3.132 3.837) 5.650 4.830 ( -5.893 -1.245 -0.273) 6.029 4.996 ( -2.659 1.389 -0.781) 3.100 5.150 ( -2.092 -1.520 0.179) 2.592 9.211 ( 3.298 1.942 -0.067) 3.828 9.390 ( -4.454 2.400 0.143) 5.062 10.029 ( 36.953 16.618 -0.568) 40.521 11.684 ( -6.639 -3.616 1.084) 7.637 12.429 ( 2.257 -0.982 -0.126) 2.465 12.539 ( -4.302 -1.427 0.160) 4.535 12.688 ( 3.905 1.367 -0.133) 4.139 12.820 ( -1.713 0.415 0.049) 1.763 13.489 ( 11.135 6.490 0.111) 12.889 14.484 ( -34.828 4.226 -0.160) 35.084 15.245 ( 0.765 0.864 0.558) 1.282 15.346 ( -0.971 0.814 -0.438) 1.341 17.112 ( -0.538 0.345 0.181) 0.664 17.235 ( 0.687 -0.892 0.186) 1.141 17.261 ( 0.847 1.058 0.733) 1.541 17.284 ( -1.736 -2.358 -0.559) 2.981 17.313 ( -1.491 0.052 0.194) 1.504 17.380 ( 1.427 -0.616 0.333) 1.590 17.649 ( 6.174 -0.748 -0.591) 6.248 17.803 ( -2.486 -0.795 0.008) 2.610 19.749 ( 1.154 3.204 0.126) 3.407 20.473 ( -3.360 -1.963 -0.736) 3.960 20.544 ( -4.552 -1.168 0.625) 4.741 20.731 ( 0.444 -2.529 0.975) 2.746 27.106 ( 2.043 0.461 0.012) 2.094 27.180 ( -1.901 0.345 0.027) 1.932 27.602 ( 0.141 0.024 -0.022) 0.145 27.668 ( -0.110 -0.016 0.083) 0.139 30.393 ( 2.177 -1.015 -0.218) 2.412 30.630 ( -1.488 -1.641 0.050) 2.216 33.188 ( 1.365 -0.290 -0.044) 1.396 33.239 ( -1.543 -0.404 -0.015) 1.595 33.832 ( 2.322 3.477 0.027) 4.181 33.943 ( -2.651 -3.794 0.114) 4.630 34.394 ( -0.307 1.273 -1.711) 2.155 34.589 ( -1.267 0.778 2.123) 2.592 34.958 ( 2.936 5.322 -0.085) 6.079 35.512 ( -0.097 -0.338 1.619) 1.657 35.579 ( -1.090 -3.606 -3.057) 4.851 36.103 ( 1.845 -1.541 1.155) 2.667 39.792 ( -0.133 6.234 -0.094) 6.236 42.096 ( 4.010 -7.153 0.968) 8.257 46.262 ( -0.086 1.421 0.009) 1.424 46.423 ( -0.515 0.251 0.105) 0.582 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.478 12.666 -6.226) 14.122 1.120 ( -7.069 8.785 9.471) 14.725 1.549 ( 7.883 19.772 3.192) 21.524 1.658 ( 0.101 5.336 0.445) 5.356 1.846 ( -10.423 10.744 -6.079) 16.157 2.169 ( 5.033 -2.121 -1.338) 5.623 2.335 ( 3.639 -6.604 -2.049) 7.814 2.370 ( -2.353 -1.674 0.762) 2.986 2.472 ( 2.854 5.780 -0.113) 6.447 2.566 ( 2.914 5.410 0.566) 6.171 2.624 ( -1.269 2.327 -1.580) 3.086 2.765 ( 2.647 7.359 -1.852) 8.037 2.794 ( -1.575 3.758 3.058) 5.094 2.857 ( -7.081 -4.084 4.416) 9.291 3.017 ( 2.595 -3.488 0.441) 4.370 3.070 ( 2.758 2.100 1.318) 3.709 3.137 ( 1.609 -9.585 -0.970) 9.768 3.174 ( -2.475 3.472 0.573) 4.302 3.212 ( 0.770 -3.465 -0.086) 3.551 3.291 ( 1.733 -2.704 2.036) 3.803 3.321 ( -1.046 -4.378 -1.629) 4.788 3.410 ( 0.748 -2.719 -0.695) 2.904 3.463 ( -1.381 -1.366 -0.638) 2.044 3.542 ( 0.137 -2.623 -0.121) 2.630 3.600 ( 2.533 -3.298 -0.052) 4.158 3.661 ( 0.490 2.005 -0.998) 2.293 3.683 ( -0.718 -0.752 0.221) 1.063 3.841 ( 2.874 -7.385 -1.714) 8.108 3.960 ( -2.218 5.305 -0.127) 5.752 4.104 ( 2.123 0.509 -0.124) 2.186 4.128 ( -2.111 -1.501 0.288) 2.607 4.159 ( -0.460 1.972 0.976) 2.248 4.224 ( 1.611 4.235 1.549) 4.788 4.280 ( -2.739 3.281 -1.112) 4.416 4.401 ( -1.105 -1.094 0.192) 1.567 4.522 ( 0.158 -2.219 -2.208) 3.134 4.714 ( 5.522 -1.577 0.220) 5.747 4.817 ( -6.366 -2.300 0.869) 6.825 4.949 ( -1.159 1.226 -0.257) 1.706 5.161 ( -3.441 -1.326 0.168) 3.692 9.189 ( 2.464 2.497 -0.206) 3.514 9.292 ( -3.045 4.171 0.409) 5.180 9.957 ( 26.314 15.752 -0.698) 30.676 11.712 ( -8.039 -4.147 1.924) 9.248 12.475 ( 3.210 -1.635 -0.248) 3.611 12.539 ( -3.941 -1.763 0.226) 4.323 12.685 ( 2.404 1.471 -0.134) 2.821 12.794 ( -1.519 0.905 0.086) 1.770 13.427 ( 7.160 6.981 0.015) 10.000 14.189 ( -31.745 -0.622 0.921) 31.764 15.228 ( 0.457 1.484 0.022) 1.553 15.307 ( -1.278 2.080 -0.369) 2.469 17.100 ( -0.235 0.536 0.229) 0.629 17.238 ( 0.392 1.660 1.115) 2.037 17.254 ( 1.251 -0.076 -0.760) 1.466 17.301 ( -1.437 -1.252 0.150) 1.912 17.324 ( -0.804 -1.107 -0.017) 1.369 17.406 ( 0.833 -1.020 0.326) 1.357 17.710 ( 4.453 -1.225 -0.328) 4.630 17.807 ( -1.660 -1.381 -0.055) 2.160 19.707 ( -1.210 1.341 0.138) 1.812 20.520 ( 1.022 -3.100 -1.201) 3.478 20.560 ( -5.241 -4.250 1.727) 6.965 20.806 ( -2.817 -5.852 1.464) 6.658 27.118 ( 2.572 0.021 0.108) 2.574 27.159 ( -2.603 -0.070 -0.023) 2.604 27.599 ( 0.123 0.360 -0.029) 0.381 27.671 ( -0.104 -0.442 0.169) 0.485 30.436 ( 1.120 -1.860 -0.188) 2.179 30.671 ( -0.534 -3.241 -0.037) 3.285 33.175 ( 0.929 1.496 0.018) 1.761 33.277 ( -1.038 -3.458 -0.158) 3.614 33.756 ( 0.335 3.989 0.170) 4.006 34.040 ( -0.551 -5.779 0.008) 5.805 34.342 ( -0.998 3.106 -1.144) 3.457 34.568 ( 0.522 1.192 2.125) 2.492 34.805 ( 0.132 11.005 -1.352) 11.088 35.520 ( 0.193 -0.348 0.006) 0.397 35.624 ( 1.533 -0.737 0.156) 1.708 36.160 ( 1.982 -2.729 0.463) 3.404 39.572 ( -0.201 15.592 -0.025) 15.593 42.291 ( 7.688 -8.001 1.970) 11.269 46.224 ( -0.445 2.208 0.008) 2.252 46.408 ( -0.348 0.932 0.279) 1.033 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.000 15.892 0.000) 15.892 1.073 ( 0.000 -0.755 -0.000) 0.755 1.093 ( -0.000 27.169 0.000) 27.169 1.471 ( -0.000 20.750 0.000) 20.750 1.660 ( 0.000 -4.004 -0.000) 4.004 2.236 ( 0.000 -2.615 -0.000) 2.615 2.293 ( -0.000 6.215 0.000) 6.215 2.374 ( -0.000 1.560 0.000) 1.560 2.526 ( 0.000 -5.418 -0.000) 5.418 2.531 ( 0.000 -1.217 -0.000) 1.217 2.565 ( -0.000 5.252 0.000) 5.252 2.621 ( -0.000 7.095 0.000) 7.095 2.777 ( 0.000 -3.078 -0.000) 3.078 2.927 ( 0.000 -4.499 -0.000) 4.499 3.008 ( -0.000 5.049 0.000) 5.049 3.024 ( -0.000 4.272 0.000) 4.272 3.113 ( 0.000 -0.641 -0.000) 0.641 3.242 ( 0.000 -0.071 -0.000) 0.071 3.279 ( 0.000 -2.323 -0.000) 2.323 3.289 ( -0.000 3.549 0.000) 3.549 3.435 ( 0.000 -4.189 -0.000) 4.189 3.450 ( 0.000 -1.094 -0.000) 1.094 3.483 ( 0.000 -2.177 -0.000) 2.177 3.577 ( 0.000 -3.272 -0.000) 3.272 3.578 ( -0.000 4.621 0.000) 4.621 3.715 ( 0.000 -5.105 -0.000) 5.105 3.764 ( 0.000 -6.559 -0.000) 6.559 3.880 ( -0.000 0.877 0.000) 0.877 3.908 ( -0.000 3.318 0.000) 3.318 4.089 ( -0.000 0.818 0.000) 0.818 4.112 ( -0.000 2.501 0.000) 2.501 4.165 ( -0.000 1.637 0.000) 1.637 4.196 ( 0.000 -4.527 -0.000) 4.527 4.214 ( -0.000 0.199 0.000) 0.199 4.370 ( -0.000 3.426 0.000) 3.426 4.643 ( 0.000 -6.717 -0.000) 6.717 4.730 ( -0.000 0.252 0.000) 0.252 4.837 ( 0.000 -1.972 -0.000) 1.972 4.943 ( 0.000 -1.148 -0.000) 1.148 5.152 ( -0.000 0.213 0.000) 0.213 9.151 ( -0.000 2.214 0.000) 2.214 9.201 ( -0.000 4.040 0.000) 4.040 9.779 ( -0.000 14.277 0.000) 14.277 11.731 ( 0.000 -1.850 -0.000) 1.850 12.530 ( 0.000 -2.003 -0.000) 2.003 12.552 ( 0.000 -1.711 -0.000) 1.711 12.665 ( -0.000 1.539 0.000) 1.539 12.765 ( -0.000 1.449 0.000) 1.449 13.331 ( -0.000 5.183 0.000) 5.183 14.079 ( 0.000 -1.746 -0.000) 1.746 15.196 ( -0.000 1.852 0.000) 1.852 15.257 ( -0.000 2.246 0.000) 2.246 17.094 ( 0.000 -0.064 -0.000) 0.064 17.210 ( -0.000 1.410 0.000) 1.410 17.259 ( 0.000 -0.142 -0.000) 0.142 17.320 ( 0.000 -0.989 -0.000) 0.989 17.327 ( -0.000 0.379 0.000) 0.379 17.429 ( 0.000 -0.866 -0.000) 0.866 17.756 ( 0.000 -1.868 -0.000) 1.868 17.833 ( 0.000 -1.639 -0.000) 1.639 19.675 ( -0.000 1.440 0.000) 1.440 20.564 ( 0.000 -1.547 -0.000) 1.547 20.640 ( 0.000 -4.539 -0.000) 4.539 20.928 ( 0.000 -8.390 -0.000) 8.390 27.139 ( 0.000 -0.350 -0.000) 0.350 27.151 ( 0.000 -0.821 -0.000) 0.821 27.590 ( -0.000 0.552 0.000) 0.552 27.685 ( 0.000 -0.958 -0.000) 0.958 30.474 ( 0.000 -1.592 -0.000) 1.592 30.736 ( 0.000 -3.326 -0.000) 3.326 33.157 ( -0.000 0.762 0.000) 0.762 33.337 ( 0.000 -2.905 -0.000) 2.905 33.695 ( -0.000 2.575 0.000) 2.575 34.130 ( 0.000 -3.295 -0.000) 3.295 34.273 ( -0.000 3.038 0.000) 3.038 34.560 ( -0.000 13.064 0.000) 13.064 34.564 ( 0.000 -0.224 -0.000) 0.224 35.529 ( 0.000 -0.411 -0.000) 0.411 35.622 ( -0.000 1.710 0.000) 1.710 36.235 ( 0.000 -3.790 -0.000) 3.790 39.231 ( -0.000 18.022 0.000) 18.022 42.500 ( 0.000 -8.449 -0.000) 8.449 46.177 ( -0.000 2.192 0.000) 2.192 46.387 ( -0.000 1.088 0.000) 1.088 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 20.587 0.000 0.407) 20.591 0.665 ( 16.802 0.000 17.948) 24.585 1.201 ( 30.185 0.000 27.781) 41.023 1.479 ( 4.680 0.000 -6.265) 7.820 1.724 ( -7.093 -0.000 -9.051) 11.499 1.994 ( 1.103 0.000 -3.214) 3.398 2.262 ( -10.576 -0.000 4.915) 11.663 2.264 ( -4.055 -0.000 0.081) 4.056 2.428 ( 0.549 0.000 -0.742) 0.923 2.429 ( -2.709 -0.000 -2.324) 3.569 2.531 ( -4.395 -0.000 -2.181) 4.906 2.585 ( 1.561 0.000 1.361) 2.071 2.636 ( 0.806 0.000 -9.123) 9.159 2.976 ( -2.956 -0.000 1.239) 3.205 3.008 ( -1.148 -0.000 -0.239) 1.173 3.024 ( -1.736 -0.000 -0.721) 1.879 3.085 ( -2.532 -0.000 -0.933) 2.699 3.167 ( 2.119 0.000 1.595) 2.652 3.287 ( 2.485 0.000 0.674) 2.575 3.376 ( -0.111 -0.000 -8.191) 8.192 3.433 ( -2.822 -0.000 3.103) 4.194 3.458 ( 1.846 0.000 2.060) 2.766 3.514 ( 1.202 0.000 -0.500) 1.302 3.554 ( -1.363 -0.000 -2.050) 2.462 3.622 ( -2.339 -0.000 0.261) 2.354 3.650 ( 1.978 0.000 -4.726) 5.123 3.842 ( -9.160 -0.000 4.879) 10.378 3.884 ( -0.201 -0.000 -3.930) 3.935 3.959 ( -3.703 -0.000 1.840) 4.135 4.027 ( -1.790 -0.000 4.885) 5.203 4.032 ( -5.285 -0.000 10.230) 11.515 4.072 ( -0.284 -0.000 -2.288) 2.306 4.183 ( -1.932 -0.000 0.713) 2.059 4.254 ( -0.456 -0.000 -5.127) 5.147 4.538 ( 2.328 0.000 -0.783) 2.456 4.590 ( -5.795 -0.000 -6.572) 8.762 4.696 ( -1.648 -0.000 7.171) 7.358 4.722 ( -1.822 -0.000 -2.378) 2.996 4.926 ( -4.478 -0.000 0.369) 4.494 4.974 ( 5.480 0.000 1.120) 5.593 9.198 ( 5.067 0.000 0.161) 5.070 9.199 ( 5.387 0.000 -0.189) 5.390 10.331 ( 61.865 0.000 15.271) 63.722 12.171 ( -1.715 -0.000 -8.698) 8.865 12.458 ( -3.850 -0.000 -0.273) 3.859 12.540 ( -3.082 -0.000 0.734) 3.168 12.733 ( 3.446 0.000 0.517) 3.485 12.787 ( 3.121 0.000 -0.357) 3.141 13.732 ( 28.193 0.000 2.816) 28.334 15.188 ( 2.118 0.000 0.116) 2.122 15.246 ( 1.977 0.000 0.342) 2.006 16.369 ( 6.975 0.000 -20.916) 22.049 17.129 ( -0.358 -0.000 0.837) 0.911 17.152 ( -0.965 -0.000 -1.355) 1.664 17.242 ( 4.000 0.000 -11.081) 11.781 17.292 ( -1.148 -0.000 -0.741) 1.367 17.311 ( 1.100 0.000 0.534) 1.223 17.407 ( 0.574 0.000 1.213) 1.342 17.737 ( -4.507 -0.000 -0.767) 4.572 17.823 ( -3.126 -0.000 1.294) 3.383 19.869 ( 11.272 0.000 3.112) 11.693 20.597 ( -0.296 -0.000 -1.036) 1.077 20.713 ( -0.389 -0.000 -0.111) 0.405 23.064 ( 29.442 0.000 -129.264) 132.574 27.106 ( -2.455 -0.000 -0.964) 2.637 27.154 ( -1.385 -0.000 0.657) 1.533 27.589 ( 0.336 0.000 0.035) 0.338 27.679 ( 1.645 0.000 -8.737) 8.891 30.456 ( -2.869 -0.000 0.021) 2.869 30.814 ( 0.468 0.000 -0.960) 1.069 33.109 ( -1.767 -0.000 0.151) 1.773 33.446 ( 1.997 0.000 0.528) 2.066 33.602 ( -1.364 -0.000 -0.453) 1.437 34.037 ( -4.902 -0.000 1.387) 5.095 34.077 ( 3.631 0.000 0.080) 3.632 34.262 ( 1.522 0.000 0.907) 1.771 34.397 ( 3.724 0.000 4.693) 5.991 34.855 ( 2.679 0.000 1.508) 3.074 35.527 ( -0.632 -0.000 0.001) 0.632 36.061 ( -5.777 -0.000 2.046) 6.129 38.823 ( 0.888 0.000 -8.528) 8.574 40.202 ( -1.485 -0.000 2.925) 3.280 46.201 ( 1.526 0.000 0.145) 1.533 46.357 ( 1.093 0.000 -5.492) 5.600 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 18.459 -3.636 4.052) 19.246 0.991 ( 18.285 -7.968 6.610) 21.013 1.436 ( 8.725 2.582 0.111) 9.100 1.527 ( 6.205 -4.230 11.458) 13.700 1.797 ( 10.044 -11.325 -2.069) 15.278 2.024 ( -5.999 -3.265 -2.630) 7.319 2.174 ( -10.170 -1.197 2.628) 10.572 2.301 ( -6.688 -4.198 6.890) 10.480 2.404 ( 3.717 -0.521 -3.115) 4.878 2.434 ( -1.362 -0.816 -3.635) 3.967 2.505 ( -3.038 0.921 -0.035) 3.175 2.587 ( 2.049 -2.596 -3.190) 4.594 2.713 ( 0.187 -5.047 -4.773) 6.950 2.889 ( -6.402 4.488 1.250) 7.918 2.990 ( -2.213 -0.247 -2.353) 3.240 3.018 ( 2.656 0.778 -2.101) 3.475 3.081 ( -1.716 -1.277 -0.952) 2.341 3.173 ( -2.006 0.207 1.541) 2.538 3.310 ( -1.009 4.541 -0.038) 4.651 3.326 ( 2.394 -1.828 3.095) 4.319 3.367 ( -1.485 1.460 -5.980) 6.332 3.454 ( 4.282 4.298 1.315) 6.208 3.518 ( 2.542 3.084 -4.541) 6.049 3.552 ( 0.024 -3.613 -1.442) 3.891 3.586 ( -1.602 -2.465 0.655) 3.012 3.684 ( -0.318 3.231 2.703) 4.224 3.755 ( -5.037 1.845 -2.873) 6.085 3.861 ( -3.664 0.046 2.938) 4.697 3.934 ( 0.117 1.088 3.007) 3.200 4.015 ( 0.840 1.037 -0.705) 1.509 4.074 ( -1.042 -4.194 0.364) 4.337 4.101 ( -7.587 -2.841 4.267) 9.156 4.191 ( -1.950 1.091 -2.644) 3.462 4.265 ( -1.501 -5.774 -0.341) 5.976 4.451 ( -2.130 3.479 -3.573) 5.423 4.572 ( 1.668 5.903 4.595) 7.664 4.621 ( -0.683 2.393 2.006) 3.197 4.775 ( -4.877 -6.627 -3.807) 9.066 4.840 ( -3.601 2.211 1.571) 4.508 5.143 ( 0.354 -7.130 0.797) 7.184 9.203 ( 5.741 1.352 -0.049) 5.898 9.286 ( 4.686 -2.505 0.462) 5.333 10.619 ( 55.904 14.094 8.297) 58.247 12.064 ( -1.371 7.151 -5.841) 9.335 12.428 ( -2.850 0.314 -0.005) 2.867 12.526 ( -2.995 -0.657 0.497) 3.106 12.744 ( 3.404 1.231 0.324) 3.634 12.816 ( 1.958 -0.596 -0.250) 2.062 13.830 ( 34.145 12.907 1.632) 36.539 15.210 ( 2.022 -0.366 0.356) 2.086 15.257 ( 2.295 0.198 -1.014) 2.517 16.051 ( 18.732 26.626 -11.290) 34.457 17.098 ( -0.180 1.251 -0.320) 1.303 17.153 ( -0.617 -0.920 -2.021) 2.304 17.244 ( 1.920 0.329 -1.497) 2.457 17.307 ( -3.129 0.102 -3.386) 4.612 17.326 ( 0.840 -0.639 0.398) 1.128 17.411 ( -0.072 0.026 0.982) 0.985 17.678 ( -4.162 2.650 -0.415) 4.951 17.780 ( -3.445 0.479 0.846) 3.580 20.001 ( 14.207 -1.746 2.986) 14.622 20.577 ( -0.739 1.347 -1.047) 1.859 20.713 ( 0.610 0.108 0.503) 0.798 22.347 ( 24.669 53.726 -56.231) 81.590 27.089 ( -0.867 0.151 -1.328) 1.593 27.167 ( -1.504 -1.900 0.588) 2.493 27.592 ( 0.777 0.037 0.068) 0.781 27.673 ( -0.473 0.096 -3.361) 3.396 30.470 ( -1.718 -1.419 -0.603) 2.308 30.781 ( -0.228 2.826 0.217) 2.843 33.100 ( -1.595 -0.367 0.151) 1.644 33.435 ( 1.044 2.001 1.973) 2.998 33.654 ( 0.358 -3.511 -2.564) 4.363 34.038 ( -3.491 -3.022 0.087) 4.618 34.243 ( 1.113 -2.110 -0.546) 2.447 34.416 ( -4.857 -14.561 -1.109) 15.389 34.526 ( 3.907 -8.041 2.788) 9.364 34.949 ( -4.879 -9.698 -1.366) 10.942 35.520 ( -0.556 0.196 -0.118) 0.601 36.035 ( -6.437 -1.244 1.859) 6.815 38.936 ( 0.545 -12.187 -3.488) 12.688 40.691 ( -18.396 -41.064 -3.508) 45.133 46.223 ( 2.098 -0.880 0.151) 2.280 46.359 ( 0.042 -0.491 -3.149) 3.187 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 15.302 -9.830 3.466) 18.515 1.312 ( 18.125 -11.628 1.262) 21.572 1.413 ( 8.847 4.225 -3.129) 10.291 1.669 ( 1.738 -5.246 -4.551) 7.159 1.969 ( -2.565 -4.154 5.386) 7.269 2.161 ( -5.306 -9.158 3.918) 11.285 2.174 ( -5.520 -4.048 4.775) 8.346 2.299 ( -1.209 1.233 -0.712) 1.868 2.397 ( -3.737 -0.998 -1.838) 4.282 2.529 ( 5.264 -7.091 8.267) 12.097 2.530 ( 1.709 -6.238 -6.871) 9.436 2.651 ( 3.833 1.424 1.740) 4.443 2.783 ( -6.317 0.175 1.894) 6.597 2.820 ( -1.185 -6.773 -1.430) 7.023 2.970 ( 3.897 4.764 -3.208) 6.941 3.018 ( -1.079 -1.786 -2.124) 2.978 3.095 ( -1.460 -1.638 -4.866) 5.338 3.165 ( -3.285 7.097 2.231) 8.133 3.193 ( -2.559 -2.721 -0.408) 3.757 3.303 ( 0.930 2.497 -7.226) 7.702 3.356 ( 0.343 1.539 1.387) 2.100 3.413 ( 1.659 3.082 0.454) 3.529 3.452 ( 0.694 3.289 -4.791) 5.852 3.582 ( -2.089 2.425 4.278) 5.343 3.616 ( -0.153 0.646 0.995) 1.196 3.649 ( -2.736 2.422 0.120) 3.656 3.695 ( 2.754 -4.050 -2.594) 5.542 3.844 ( -0.350 1.865 3.271) 3.781 3.960 ( -3.971 3.496 0.117) 5.292 3.972 ( 0.748 -3.183 0.826) 3.372 4.076 ( -2.857 -3.258 0.660) 4.384 4.119 ( -1.351 -2.762 -1.947) 3.639 4.221 ( 0.303 -1.786 1.998) 2.697 4.331 ( -5.674 -0.934 -0.717) 5.795 4.403 ( 0.025 -0.692 1.700) 1.836 4.481 ( 0.835 3.200 2.626) 4.223 4.562 ( -2.480 2.807 -0.447) 3.772 4.785 ( -4.247 -0.297 -0.352) 4.272 4.884 ( -2.721 -6.684 -1.306) 7.334 5.213 ( -0.962 -0.618 0.563) 1.275 9.229 ( 5.816 0.582 0.107) 5.846 9.359 ( 2.320 -2.116 0.549) 3.187 10.749 ( 54.491 15.896 2.059) 56.799 11.880 ( -4.080 8.611 -3.016) 9.994 12.407 ( -1.287 0.100 0.157) 1.301 12.517 ( -3.075 -0.572 0.208) 3.135 12.745 ( 3.660 1.408 0.075) 3.922 12.831 ( 0.298 -0.137 -0.175) 0.372 13.825 ( 33.877 13.193 0.335) 36.357 15.224 ( 2.405 0.871 -1.573) 3.003 15.276 ( 2.163 -0.198 -1.153) 2.459 15.658 ( 4.299 24.030 -1.701) 24.471 17.088 ( -0.771 -0.655 -0.546) 1.150 17.169 ( -0.522 -1.483 -1.402) 2.107 17.210 ( -5.938 2.713 -1.966) 6.818 17.269 ( 1.191 0.014 0.923) 1.507 17.344 ( 0.689 -0.442 0.182) 0.839 17.402 ( -1.137 0.630 0.723) 1.487 17.615 ( 0.595 1.481 -0.650) 1.723 17.764 ( -3.605 -1.134 0.335) 3.794 20.106 ( 16.562 4.207 2.316) 17.244 20.537 ( -1.297 1.632 -0.948) 2.290 20.710 ( 2.355 1.869 1.135) 3.214 21.449 ( -0.036 39.610 -18.162) 43.575 27.092 ( 1.627 -0.374 -0.994) 1.943 27.190 ( -1.312 -1.263 0.296) 1.845 27.596 ( 0.599 0.181 0.135) 0.640 27.665 ( -0.807 -0.316 -1.062) 1.370 30.459 ( 0.526 1.726 -0.548) 1.885 30.715 ( -1.501 3.218 0.762) 3.631 33.100 ( -1.236 -0.780 0.048) 1.462 33.402 ( 1.137 2.554 0.914) 2.942 33.703 ( 0.446 -1.602 -1.012) 1.946 34.078 ( -0.995 -2.502 -0.325) 2.712 34.342 ( 1.118 -6.941 1.254) 7.142 34.492 ( -1.176 1.682 0.251) 2.068 34.735 ( 5.180 -8.884 0.892) 10.323 35.118 ( -11.816 -13.712 -3.957) 18.528 35.513 ( -0.252 0.177 -0.432) 0.531 36.022 ( -4.315 -1.436 1.794) 4.889 39.248 ( 0.498 -18.450 -0.770) 18.472 41.250 ( -17.638 -30.946 -3.952) 35.838 46.261 ( 2.594 -0.950 0.167) 2.767 46.368 ( -1.271 -1.413 -1.463) 2.399 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 14.211 0.040 1.974) 14.347 1.461 ( 7.531 -4.745 -3.513) 9.570 1.613 ( 1.483 -6.634 1.585) 6.980 1.802 ( 7.328 -9.085 -4.116) 12.376 2.013 ( -5.750 5.325 3.856) 8.734 2.140 ( -4.248 -4.103 0.567) 5.934 2.241 ( 3.018 -6.900 0.198) 7.533 2.370 ( -1.558 -6.786 -1.263) 7.076 2.505 ( 1.094 -6.072 1.428) 6.333 2.545 ( -1.194 6.000 1.210) 6.236 2.634 ( -3.445 2.024 3.716) 5.457 2.671 ( 3.177 -6.093 -4.083) 7.993 2.836 ( 0.061 -4.213 6.636) 7.860 2.904 ( 1.610 2.136 0.201) 2.682 2.914 ( 0.333 2.024 -3.321) 3.904 2.979 ( -2.039 2.633 4.774) 5.820 3.024 ( -1.545 -3.153 -1.156) 3.696 3.145 ( 1.252 -0.139 -6.045) 6.175 3.214 ( 2.971 3.610 0.987) 4.778 3.239 ( -3.060 0.696 -3.112) 4.420 3.328 ( 1.581 -0.776 -7.119) 7.333 3.368 ( -1.126 1.097 -2.856) 3.261 3.388 ( -2.449 4.977 3.988) 6.832 3.521 ( -4.986 3.002 3.280) 6.681 3.547 ( -0.214 0.623 0.626) 0.909 3.611 ( 0.587 1.619 -1.351) 2.189 3.775 ( 0.549 0.342 0.727) 0.973 3.820 ( 5.405 1.046 -0.462) 5.525 3.918 ( -4.255 -3.140 0.487) 5.311 4.027 ( -3.272 -0.937 -0.010) 3.404 4.141 ( 1.544 -3.470 0.626) 3.850 4.187 ( 1.307 -3.989 -0.727) 4.260 4.236 ( -3.627 -2.864 4.628) 6.541 4.298 ( -1.602 0.622 -1.575) 2.331 4.373 ( -1.463 3.650 2.287) 4.549 4.494 ( -0.976 -2.647 1.425) 3.161 4.515 ( -1.041 -0.365 -2.525) 2.756 4.778 ( -4.342 -1.826 -0.711) 4.764 4.972 ( -1.066 -3.756 -0.709) 3.968 5.182 ( -0.752 2.345 0.230) 2.473 9.262 ( 5.506 0.695 0.246) 5.556 9.397 ( -1.335 -1.169 0.107) 1.778 10.812 ( 51.146 19.875 -0.294) 54.873 11.679 ( -10.645 5.104 -0.800) 11.832 12.406 ( 0.416 -0.327 0.111) 0.541 12.503 ( -3.198 -0.444 0.057) 3.229 12.745 ( 3.818 1.478 -0.084) 4.095 12.827 ( -1.236 0.117 -0.033) 1.242 13.834 ( 32.050 11.926 0.386) 34.199 15.003 ( -19.184 22.277 -5.010) 29.823 15.267 ( 0.140 0.680 2.107) 2.218 15.351 ( -2.111 1.176 1.454) 2.820 17.104 ( -0.449 -0.908 -0.239) 1.041 17.144 ( -4.579 -1.641 -0.759) 4.923 17.196 ( -0.558 -1.726 -0.375) 1.852 17.284 ( 1.847 0.235 0.862) 2.052 17.350 ( 0.017 0.401 0.029) 0.402 17.379 ( -0.770 0.668 0.305) 1.064 17.625 ( 4.330 -0.375 -0.781) 4.416 17.763 ( -3.726 -1.350 0.253) 3.971 20.077 ( 14.697 11.540 1.354) 18.736 20.491 ( -2.912 1.500 -1.149) 3.472 20.660 ( -0.593 5.618 0.369) 5.661 20.841 ( -8.020 14.384 -4.169) 16.988 27.115 ( 2.565 -0.220 -0.498) 2.622 27.194 ( -1.430 -0.164 0.144) 1.446 27.596 ( 0.106 -0.043 0.080) 0.139 27.667 ( -0.189 -0.293 -0.341) 0.488 30.425 ( 1.865 2.289 -0.315) 2.970 30.645 ( -2.234 2.387 0.521) 3.311 33.114 ( -0.788 -1.463 -0.006) 1.662 33.351 ( 0.887 3.557 0.193) 3.671 33.736 ( -0.005 -2.268 -0.110) 2.271 34.089 ( 0.805 2.301 -0.388) 2.469 34.427 ( -0.505 2.572 -0.213) 2.630 34.486 ( -0.270 -6.146 1.576) 6.350 34.934 ( 6.519 -6.384 1.196) 9.202 35.271 ( -10.433 -11.528 -3.152) 15.864 35.510 ( 0.136 -0.084 -0.971) 0.984 36.037 ( -1.348 -2.023 1.579) 2.899 39.591 ( 0.269 -15.240 0.061) 15.242 41.633 ( -8.063 -19.779 -1.844) 21.438 46.288 ( 1.766 0.038 0.082) 1.768 46.390 ( -1.237 -1.916 -0.519) 2.339 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 15.777 6.040 -1.992) 17.010 1.604 ( -2.772 -5.324 -0.558) 6.028 1.634 ( -10.574 10.825 3.760) 15.593 1.792 ( 1.899 -7.895 -0.202) 8.123 2.028 ( 3.419 2.298 0.851) 4.207 2.263 ( 8.001 -3.897 -3.991) 9.754 2.340 ( -1.036 2.680 2.612) 3.883 2.386 ( -6.392 6.736 0.407) 9.295 2.506 ( -1.348 -0.648 -1.049) 1.827 2.528 ( 2.338 -8.929 -0.292) 9.235 2.664 ( 2.430 -3.084 -2.522) 4.667 2.760 ( -5.932 -3.311 1.597) 6.979 2.826 ( 3.467 2.395 -0.185) 4.218 2.860 ( 0.333 -0.047 -0.255) 0.422 2.907 ( 5.057 -2.052 3.089) 6.271 3.028 ( -0.317 6.507 -0.211) 6.518 3.074 ( -0.120 -5.140 4.015) 6.523 3.128 ( 2.561 -3.177 -3.588) 5.434 3.177 ( -2.145 4.137 5.459) 7.177 3.232 ( -3.229 -4.424 -5.932) 8.073 3.257 ( -2.287 3.570 1.800) 4.606 3.353 ( 0.683 1.332 -1.188) 1.911 3.365 ( 0.108 -3.185 -1.550) 3.544 3.458 ( -2.890 1.145 0.069) 3.109 3.558 ( 2.477 0.359 -2.973) 3.886 3.584 ( -1.763 -0.659 1.931) 2.696 3.742 ( 2.263 3.249 -0.360) 3.975 3.819 ( 0.538 2.017 0.436) 2.132 3.984 ( -0.842 -4.257 -1.160) 4.492 4.010 ( -3.877 -2.435 0.680) 4.629 4.190 ( -0.696 3.178 0.511) 3.294 4.244 ( -0.514 -3.297 -0.462) 3.368 4.270 ( 1.227 -2.333 -0.349) 2.659 4.300 ( -1.067 1.569 0.865) 2.085 4.340 ( 0.944 -2.359 2.352) 3.462 4.509 ( -1.436 -0.863 -2.462) 2.978 4.564 ( 0.349 -3.989 2.426) 4.682 4.767 ( -3.943 -0.361 -1.023) 4.090 5.005 ( -0.004 -0.144 -0.497) 0.517 5.140 ( -0.519 1.168 0.178) 1.291 9.279 ( 4.507 1.721 0.174) 4.827 9.383 ( -3.791 0.493 -0.139) 3.825 10.707 ( 33.061 23.883 -0.533) 40.789 11.567 ( -9.750 -2.194 0.281) 9.998 12.427 ( 1.727 -0.899 -0.012) 1.947 12.489 ( -2.994 -0.648 0.060) 3.064 12.742 ( 2.978 1.518 -0.089) 3.343 12.812 ( -1.728 0.167 0.031) 1.737 13.829 ( 29.752 13.583 0.483) 32.709 14.389 ( -36.749 13.675 -1.209) 39.229 15.265 ( 0.547 0.472 0.665) 0.982 15.348 ( -0.366 -0.072 -0.058) 0.378 17.108 ( -0.402 -0.332 -0.012) 0.521 17.190 ( -0.974 -3.896 -0.157) 4.019 17.226 ( -0.466 -1.833 -0.057) 1.892 17.288 ( 1.249 0.563 0.606) 1.498 17.322 ( -1.143 1.584 -0.243) 1.968 17.378 ( 0.375 -0.322 0.156) 0.518 17.679 ( 5.847 -0.993 -0.543) 5.956 17.757 ( -4.401 -1.172 0.235) 4.560 19.912 ( 5.042 11.518 0.253) 12.576 20.423 ( -5.109 0.993 -0.830) 5.270 20.539 ( -1.468 2.323 0.053) 2.748 20.723 ( 0.248 0.858 0.134) 0.903 27.132 ( 2.234 0.329 -0.159) 2.263 27.177 ( -1.733 0.624 0.078) 1.844 27.600 ( 0.033 -0.234 0.015) 0.236 27.669 ( -0.023 0.037 -0.060) 0.074 30.407 ( 1.676 0.854 -0.143) 1.887 30.603 ( -1.588 0.265 0.169) 1.618 33.147 ( -0.258 -2.468 -0.015) 2.482 33.284 ( 0.230 3.665 0.018) 3.673 33.803 ( 0.311 -4.538 0.038) 4.548 33.994 ( -0.064 6.828 -0.041) 6.829 34.405 ( 0.004 0.203 -0.760) 0.786 34.565 ( -1.040 -2.444 1.067) 2.862 35.044 ( 4.032 0.307 0.829) 4.128 35.414 ( -4.645 -9.780 -0.543) 10.841 35.513 ( 0.273 -0.228 -1.560) 1.600 36.078 ( 0.288 -2.132 0.919) 2.340 39.800 ( 0.044 -5.488 0.043) 5.489 41.909 ( -1.180 -13.010 -0.272) 13.066 46.287 ( 0.465 0.915 0.017) 1.026 46.413 ( -0.474 -0.999 -0.092) 1.110 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.000 16.672 0.000) 16.672 1.262 ( -0.000 8.228 0.000) 8.228 1.698 ( 0.000 -0.104 -0.000) 0.104 1.867 ( -0.000 0.994 0.000) 0.994 2.035 ( -0.000 19.752 0.000) 19.752 2.090 ( 0.000 -7.468 -0.000) 7.468 2.279 ( -0.000 2.302 0.000) 2.302 2.344 ( 0.000 -0.913 -0.000) 0.913 2.522 ( 0.000 -0.515 -0.000) 0.515 2.660 ( -0.000 3.709 0.000) 3.709 2.723 ( 0.000 -6.946 -0.000) 6.946 2.815 ( -0.000 10.348 0.000) 10.348 2.833 ( 0.000 -1.387 -0.000) 1.387 2.843 ( 0.000 -2.138 -0.000) 2.138 2.947 ( 0.000 -6.996 -0.000) 6.996 2.951 ( 0.000 -0.085 -0.000) 0.085 3.109 ( -0.000 1.563 0.000) 1.563 3.166 ( 0.000 -0.707 -0.000) 0.707 3.197 ( 0.000 -6.705 -0.000) 6.705 3.236 ( 0.000 -3.175 -0.000) 3.175 3.282 ( -0.000 5.517 0.000) 5.517 3.334 ( 0.000 -5.299 -0.000) 5.299 3.421 ( 0.000 -2.070 -0.000) 2.070 3.476 ( 0.000 -3.712 -0.000) 3.712 3.552 ( 0.000 -0.919 -0.000) 0.919 3.672 ( 0.000 -7.332 -0.000) 7.332 3.697 ( -0.000 1.816 0.000) 1.816 3.751 ( -0.000 4.159 0.000) 4.159 4.007 ( -0.000 0.894 0.000) 0.894 4.081 ( 0.000 -3.994 -0.000) 3.994 4.124 ( -0.000 2.224 0.000) 2.224 4.223 ( -0.000 3.722 0.000) 3.722 4.305 ( 0.000 -0.133 -0.000) 0.133 4.321 ( -0.000 4.060 0.000) 4.060 4.337 ( 0.000 -3.958 -0.000) 3.958 4.513 ( -0.000 0.137 0.000) 0.137 4.677 ( 0.000 -6.103 -0.000) 6.103 4.745 ( -0.000 0.035 0.000) 0.035 4.981 ( -0.000 2.111 0.000) 2.111 5.134 ( 0.000 -0.583 -0.000) 0.583 9.254 ( -0.000 2.724 0.000) 2.724 9.338 ( -0.000 2.211 0.000) 2.211 10.405 ( -0.000 19.608 0.000) 19.608 11.601 ( 0.000 -4.247 -0.000) 4.247 12.461 ( 0.000 -1.471 -0.000) 1.471 12.491 ( 0.000 -1.135 -0.000) 1.135 12.725 ( -0.000 1.550 0.000) 1.550 12.800 ( -0.000 0.358 0.000) 0.358 13.678 ( -0.000 14.011 0.000) 14.011 14.078 ( -0.000 2.481 0.000) 2.481 15.254 ( -0.000 0.971 0.000) 0.971 15.336 ( -0.000 1.217 0.000) 1.217 17.108 ( -0.000 0.273 0.000) 0.273 17.249 ( 0.000 -1.750 -0.000) 1.750 17.257 ( 0.000 -1.459 -0.000) 1.459 17.280 ( -0.000 1.617 0.000) 1.617 17.296 ( 0.000 -0.910 -0.000) 0.910 17.391 ( 0.000 -0.803 -0.000) 0.803 17.722 ( 0.000 -0.009 -0.000) 0.009 17.761 ( 0.000 -2.037 -0.000) 2.037 19.764 ( -0.000 5.218 0.000) 5.218 20.425 ( 0.000 -3.457 -0.000) 3.457 20.520 ( 0.000 -0.242 -0.000) 0.242 20.735 ( 0.000 -1.789 -0.000) 1.789 27.138 ( -0.000 0.151 0.000) 0.151 27.150 ( -0.000 0.888 0.000) 0.888 27.603 ( 0.000 -0.015 -0.000) 0.015 27.667 ( -0.000 0.009 0.000) 0.009 30.414 ( 0.000 -0.828 -0.000) 0.828 30.615 ( 0.000 -2.026 -0.000) 2.026 33.204 ( 0.000 -3.395 -0.000) 3.395 33.221 ( -0.000 2.749 0.000) 2.749 33.859 ( -0.000 6.292 0.000) 6.292 33.914 ( 0.000 -6.377 -0.000) 6.377 34.388 ( -0.000 1.760 0.000) 1.760 34.583 ( -0.000 0.010 0.000) 0.010 34.985 ( -0.000 6.818 0.000) 6.818 35.516 ( 0.000 -0.199 -0.000) 0.199 35.559 ( 0.000 -6.102 -0.000) 6.102 36.121 ( 0.000 -2.068 -0.000) 2.068 39.791 ( -0.000 6.344 0.000) 6.344 42.130 ( 0.000 -10.345 -0.000) 10.345 46.262 ( -0.000 1.747 0.000) 1.747 46.419 ( -0.000 0.188 0.000) 0.188 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 16.399 0.000 -1.141) 16.439 0.963 ( 13.980 0.000 16.000) 21.247 1.527 ( -2.583 -0.000 11.364) 11.654 1.538 ( 5.798 0.000 -5.914) 8.282 1.794 ( 23.163 0.000 6.048) 23.940 1.957 ( -3.748 -0.000 -8.903) 9.659 2.064 ( -16.047 -0.000 3.208) 16.365 2.202 ( -3.477 -0.000 6.093) 7.015 2.397 ( -3.607 -0.000 -2.516) 4.397 2.429 ( 3.297 0.000 -1.312) 3.549 2.482 ( -2.257 -0.000 0.552) 2.324 2.592 ( 0.173 0.000 -0.776) 0.795 2.615 ( 1.137 0.000 -11.227) 11.285 2.946 ( -1.384 -0.000 1.016) 1.717 2.950 ( -5.047 -0.000 2.042) 5.444 3.015 ( 0.119 0.000 -0.827) 0.835 3.083 ( 1.703 0.000 0.666) 1.829 3.186 ( -1.733 -0.000 3.262) 3.693 3.320 ( -2.996 -0.000 -7.101) 7.707 3.348 ( 3.533 0.000 -1.411) 3.804 3.376 ( -3.881 -0.000 1.495) 4.159 3.493 ( 0.032 0.000 -0.641) 0.642 3.534 ( -0.231 -0.000 -3.591) 3.599 3.541 ( 2.306 0.000 -1.354) 2.675 3.579 ( -7.162 -0.000 -5.453) 9.002 3.655 ( 6.222 0.000 2.006) 6.537 3.749 ( -2.908 -0.000 6.852) 7.443 3.854 ( -3.397 -0.000 -0.126) 3.399 3.917 ( -2.883 -0.000 3.919) 4.865 4.016 ( -0.155 -0.000 1.577) 1.585 4.019 ( -2.184 -0.000 3.331) 3.984 4.066 ( 0.026 0.000 -1.730) 1.731 4.155 ( -1.617 -0.000 -1.067) 1.937 4.214 ( -3.044 -0.000 -2.880) 4.190 4.497 ( -3.703 -0.000 -2.301) 4.360 4.567 ( 1.588 0.000 0.163) 1.596 4.684 ( -1.970 -0.000 -1.547) 2.505 4.718 ( 0.929 0.000 5.660) 5.736 4.865 ( -3.417 -0.000 -1.544) 3.749 5.052 ( 4.213 0.000 0.269) 4.222 9.274 ( 4.536 0.000 0.162) 4.539 9.278 ( 4.781 0.000 -0.163) 4.783 11.074 ( 30.156 0.000 9.077) 31.493 12.115 ( -2.345 -0.000 -4.355) 4.947 12.409 ( -2.532 -0.000 -0.086) 2.533 12.502 ( -2.205 -0.000 0.452) 2.251 12.777 ( 2.150 0.000 0.366) 2.181 12.826 ( 2.110 0.000 -0.156) 2.116 14.271 ( 37.462 0.000 4.988) 37.793 15.220 ( 1.865 0.000 0.111) 1.868 15.273 ( 1.226 0.000 0.410) 1.293 16.396 ( 3.909 0.000 -9.821) 10.570 17.134 ( 0.572 0.000 1.114) 1.252 17.135 ( -0.680 -0.000 -1.046) 1.248 17.268 ( 3.542 0.000 -6.801) 7.668 17.281 ( 0.117 0.000 0.109) 0.160 17.327 ( 0.804 0.000 0.228) 0.836 17.408 ( -1.070 -0.000 0.573) 1.214 17.657 ( -5.254 -0.000 -1.346) 5.424 17.777 ( -3.389 -0.000 1.497) 3.705 20.065 ( 12.132 0.000 3.622) 12.661 20.581 ( -1.269 -0.000 -1.534) 1.991 20.707 ( -0.343 -0.000 -0.102) 0.358 23.044 ( 14.429 0.000 -65.116) 66.696 27.065 ( -2.301 -0.000 -0.909) 2.474 27.135 ( -1.335 -0.000 0.581) 1.455 27.594 ( 0.313 0.000 0.036) 0.315 27.672 ( 0.630 0.000 -4.200) 4.248 30.413 ( -2.711 -0.000 0.004) 2.711 30.817 ( 0.408 0.000 -0.845) 0.939 33.085 ( -1.323 -0.000 0.080) 1.325 33.475 ( 1.645 0.000 0.032) 1.645 33.582 ( -0.996 -0.000 -0.309) 1.043 33.979 ( -3.128 -0.000 0.574) 3.180 34.127 ( 2.707 0.000 -0.087) 2.708 34.288 ( 1.436 0.000 0.689) 1.593 34.458 ( 2.677 0.000 2.322) 3.543 34.908 ( 3.385 0.000 1.566) 3.729 35.518 ( -0.561 -0.000 0.001) 0.561 35.976 ( -6.002 -0.000 1.727) 6.245 38.806 ( -0.041 -0.000 -4.096) 4.096 40.190 ( -1.312 -0.000 2.509) 2.831 46.224 ( 1.395 0.000 0.172) 1.405 46.354 ( 0.471 0.000 -2.783) 2.822 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 18.507 -4.417 2.431) 19.182 1.235 ( 8.853 -9.561 9.170) 15.934 1.538 ( 4.123 2.498 -4.071) 6.309 1.575 ( 3.459 -3.963 0.994) 5.353 1.863 ( -10.711 -0.344 -3.990) 11.435 1.980 ( 3.541 -6.432 0.616) 7.368 2.066 ( -2.548 -3.470 3.597) 5.610 2.264 ( -1.629 -5.553 8.721) 10.466 2.367 ( -5.656 0.780 0.340) 5.720 2.449 ( -0.222 0.817 1.660) 1.864 2.498 ( 5.988 -1.055 -5.736) 8.358 2.583 ( -0.866 -7.902 -1.153) 8.032 2.713 ( 1.741 -3.763 -1.508) 4.412 2.813 ( -2.726 5.793 -1.604) 6.600 2.940 ( -3.282 0.374 -3.100) 4.530 3.054 ( 2.696 -5.659 -0.719) 6.309 3.081 ( 1.747 1.723 -0.026) 2.454 3.171 ( 0.411 3.563 3.633) 5.105 3.275 ( -2.539 3.674 -0.930) 4.562 3.322 ( -1.818 0.737 -4.643) 5.040 3.382 ( 2.602 0.312 3.055) 4.025 3.464 ( -4.818 -0.280 -4.497) 6.596 3.509 ( -0.062 -0.061 -2.510) 2.512 3.546 ( -1.779 -0.761 0.546) 2.011 3.597 ( 3.267 -1.645 -0.667) 3.719 3.698 ( 0.500 3.066 2.047) 3.720 3.719 ( 2.180 2.625 -0.869) 3.521 3.813 ( -2.638 -1.684 1.906) 3.665 3.933 ( -2.079 -2.275 4.678) 5.602 3.968 ( -5.579 0.295 -0.785) 5.641 4.042 ( -0.248 3.149 0.712) 3.239 4.062 ( -2.342 -0.696 -0.576) 2.510 4.167 ( 0.226 -3.246 -0.167) 3.258 4.237 ( -1.592 -5.553 -1.640) 6.005 4.421 ( -0.795 3.115 -0.574) 3.266 4.601 ( 0.501 3.522 2.395) 4.289 4.641 ( 1.759 7.076 1.566) 7.458 4.706 ( -2.659 -6.088 -2.657) 7.155 4.796 ( -2.620 1.595 0.189) 3.073 5.161 ( 1.199 -4.832 0.336) 4.990 9.285 ( 4.851 0.845 -0.181) 4.928 9.338 ( 1.785 -1.681 0.360) 2.478 11.230 ( 22.635 3.560 4.745) 23.400 12.023 ( -1.621 7.055 -2.916) 7.804 12.395 ( -1.485 -0.221 0.026) 1.501 12.491 ( -1.739 -0.284 0.260) 1.781 12.786 ( 2.026 0.531 0.242) 2.109 12.836 ( 0.822 0.277 -0.167) 0.883 14.399 ( 34.406 13.411 2.827) 37.035 15.240 ( 1.569 -0.514 0.359) 1.690 15.279 ( 0.891 -0.090 -0.204) 0.918 16.181 ( 4.381 22.125 -5.648) 23.251 17.099 ( 0.490 2.455 0.080) 2.504 17.139 ( -0.413 -0.886 -1.268) 1.601 17.240 ( -3.116 3.968 -2.553) 5.654 17.288 ( 2.840 0.058 0.605) 2.905 17.339 ( 0.555 -0.564 0.364) 0.871 17.396 ( -2.245 0.008 0.130) 2.249 17.630 ( -1.464 -0.476 -1.339) 2.040 17.731 ( -3.236 1.181 1.058) 3.603 20.221 ( 12.228 -4.126 3.392) 13.343 20.552 ( -2.008 1.392 -1.392) 2.812 20.728 ( 0.962 -1.769 0.552) 2.088 22.406 ( 6.465 54.069 -30.073) 62.207 27.080 ( 0.292 -2.021 -1.313) 2.428 27.142 ( -1.876 -1.659 0.740) 2.611 27.606 ( 0.917 -0.443 0.300) 1.061 27.654 ( -0.755 0.842 -1.948) 2.253 30.443 ( -1.355 -3.065 -0.478) 3.385 30.779 ( -0.076 3.527 0.049) 3.528 33.081 ( -0.925 -0.401 0.088) 1.012 33.452 ( 0.482 2.049 1.084) 2.367 33.650 ( 0.188 -4.482 -1.518) 4.736 33.997 ( -1.926 -3.510 0.047) 4.004 34.264 ( 1.737 -3.564 0.071) 3.966 34.344 ( -3.925 -11.027 0.111) 11.705 34.593 ( 3.519 -9.672 0.065) 10.293 34.919 ( -0.241 0.209 0.538) 0.625 35.513 ( -0.347 0.112 -0.045) 0.367 35.956 ( -4.429 -1.759 1.302) 4.940 38.930 ( 0.103 -12.884 -1.762) 13.004 40.508 ( -6.673 -29.553 -0.349) 30.299 46.252 ( 1.545 -1.627 0.242) 2.257 46.348 ( -0.348 0.331 -1.630) 1.700 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 16.952 -5.187 5.562) 18.580 1.484 ( 1.799 -6.582 2.848) 7.394 1.523 ( 1.382 1.123 -5.143) 5.442 1.643 ( 1.777 -8.731 -5.487) 10.464 1.927 ( -1.838 -8.199 1.515) 8.537 2.085 ( -4.058 -3.100 1.713) 5.386 2.147 ( -1.275 -6.126 3.335) 7.090 2.209 ( -6.466 2.673 -2.377) 7.389 2.406 ( 2.198 -6.867 7.066) 10.095 2.488 ( -2.559 -5.635 -7.482) 9.710 2.648 ( 3.892 -1.571 1.675) 4.519 2.693 ( -1.245 0.004 3.589) 3.799 2.742 ( 2.920 -4.168 2.614) 5.722 2.801 ( -1.297 -6.767 -2.295) 7.262 2.947 ( -2.687 -1.285 -2.922) 4.172 3.036 ( 0.498 3.279 -1.701) 3.728 3.061 ( 1.247 3.947 -2.297) 4.734 3.138 ( -1.419 6.408 2.235) 6.934 3.212 ( 2.679 -3.250 0.844) 4.296 3.292 ( 0.224 -0.132 -4.028) 4.037 3.383 ( 2.262 1.052 0.607) 2.567 3.428 ( 0.652 8.372 -1.517) 8.534 3.436 ( -1.604 1.911 -1.564) 2.945 3.542 ( -2.818 0.868 2.660) 3.971 3.609 ( 0.241 5.050 -0.672) 5.100 3.643 ( -0.186 0.705 0.404) 0.834 3.726 ( 1.563 -4.168 -0.385) 4.467 3.857 ( -1.810 -1.242 0.314) 2.217 3.883 ( -0.638 1.182 0.584) 1.465 3.974 ( -2.670 -1.347 2.609) 3.969 4.055 ( -0.822 -5.522 0.254) 5.589 4.076 ( -1.309 -3.579 -1.985) 4.297 4.241 ( 1.015 -1.250 3.003) 3.408 4.270 ( -1.731 1.122 -2.475) 3.222 4.415 ( 0.497 -2.925 1.435) 3.296 4.492 ( -0.403 5.973 -0.232) 5.991 4.540 ( -0.165 3.892 -0.190) 3.900 4.732 ( -1.948 -0.133 -0.499) 2.016 4.859 ( -0.603 -6.845 -0.237) 6.875 5.210 ( 0.041 0.132 0.244) 0.280 9.312 ( 4.692 0.274 -0.098) 4.701 9.365 ( -1.674 -1.000 0.311) 1.974 11.335 ( 20.884 2.743 1.633) 21.126 11.797 ( -4.852 14.008 -1.634) 14.914 12.397 ( -0.294 -0.658 0.067) 0.724 12.483 ( -1.257 0.020 0.066) 1.259 12.792 ( 2.391 0.644 0.093) 2.478 12.825 ( -1.005 0.759 -0.122) 1.265 14.362 ( 28.102 13.755 1.002) 31.304 15.254 ( 2.244 1.708 -0.744) 2.917 15.285 ( -0.572 1.066 -0.689) 1.392 15.574 ( -10.151 35.287 -0.911) 36.730 17.072 ( -0.829 -0.225 -0.500) 0.994 17.130 ( -2.819 2.499 -0.076) 3.768 17.161 ( -0.172 -1.384 -0.602) 1.519 17.305 ( 1.981 0.316 0.588) 2.091 17.354 ( 0.725 -0.292 0.308) 0.840 17.377 ( -1.973 0.165 -0.143) 1.985 17.647 ( 3.592 -0.468 -1.019) 3.763 17.706 ( -4.246 -1.116 0.664) 4.440 20.349 ( 12.561 1.877 2.824) 13.010 20.493 ( -4.468 2.124 -1.669) 5.221 20.766 ( 3.730 0.692 1.478) 4.071 21.316 ( -7.028 47.306 -8.410) 48.559 27.123 ( 2.640 -1.057 -0.868) 2.973 27.162 ( -2.426 -1.713 0.550) 3.021 27.606 ( 0.536 0.915 0.127) 1.068 27.650 ( -0.627 -1.133 -0.466) 1.376 30.467 ( 0.458 0.382 -0.381) 0.707 30.698 ( -0.820 4.148 0.396) 4.247 33.087 ( -0.450 -0.817 0.020) 0.933 33.416 ( 0.388 2.402 0.337) 2.457 33.706 ( 0.174 -1.465 -0.373) 1.522 34.066 ( -0.383 -3.853 -0.212) 3.878 34.368 ( 1.430 -6.176 0.705) 6.378 34.464 ( -2.055 -1.295 0.419) 2.465 34.830 ( 6.964 -9.825 -0.249) 12.045 34.957 ( -8.402 -9.127 -1.359) 12.480 35.509 ( -0.078 0.071 -0.135) 0.171 35.980 ( -1.681 -2.699 0.801) 3.279 39.251 ( 0.163 -18.672 -0.278) 18.675 41.071 ( -5.459 -31.027 -1.070) 31.522 46.301 ( 2.505 -1.025 0.456) 2.745 46.338 ( -2.056 -1.182 -0.898) 2.536 ======================= Grid point 33 (23/115) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.000 2.488 0.000) 2.488 1.482 ( 0.000 -3.828 -0.000) 3.828 1.610 ( 0.000 -9.408 -0.000) 9.408 1.820 ( -0.000 6.921 0.000) 6.921 2.023 ( 0.000 -4.286 -0.000) 4.286 2.079 ( 0.000 -11.277 -0.000) 11.277 2.305 ( 0.000 -6.930 -0.000) 6.930 2.316 ( 0.000 -10.129 -0.000) 10.129 2.514 ( -0.000 0.805 0.000) 0.805 2.554 ( -0.000 4.605 0.000) 4.605 2.618 ( -0.000 0.023 0.000) 0.023 2.638 ( 0.000 -5.074 -0.000) 5.074 2.901 ( -0.000 1.424 0.000) 1.424 2.917 ( 0.000 -0.107 -0.000) 0.107 2.925 ( -0.000 1.261 0.000) 1.261 2.959 ( 0.000 -1.298 -0.000) 1.298 3.003 ( 0.000 -5.705 -0.000) 5.705 3.110 ( 0.000 -2.056 -0.000) 2.056 3.222 ( -0.000 9.452 0.000) 9.452 3.275 ( 0.000 -2.134 -0.000) 2.134 3.304 ( -0.000 5.280 0.000) 5.280 3.359 ( -0.000 0.430 0.000) 0.430 3.368 ( -0.000 3.441 0.000) 3.441 3.480 ( -0.000 2.372 0.000) 2.372 3.548 ( 0.000 -0.113 -0.000) 0.113 3.615 ( -0.000 2.285 0.000) 2.285 3.777 ( 0.000 -0.469 -0.000) 0.469 3.858 ( -0.000 0.035 0.000) 0.035 3.947 ( 0.000 -0.998 -0.000) 0.998 3.948 ( 0.000 -0.665 -0.000) 0.665 4.153 ( 0.000 -3.697 -0.000) 3.697 4.187 ( 0.000 -5.972 -0.000) 5.972 4.203 ( 0.000 -2.253 -0.000) 2.253 4.302 ( 0.000 -0.883 -0.000) 0.883 4.368 ( -0.000 5.185 0.000) 5.185 4.474 ( 0.000 -1.791 -0.000) 1.791 4.513 ( 0.000 -1.226 -0.000) 1.226 4.740 ( 0.000 -1.147 -0.000) 1.147 4.966 ( 0.000 -3.978 -0.000) 3.978 5.178 ( -0.000 2.518 0.000) 2.518 9.328 ( -0.000 0.861 0.000) 0.861 9.363 ( 0.000 -0.432 -0.000) 0.432 11.353 ( -0.000 25.619 0.000) 25.619 11.460 ( 0.000 -2.707 -0.000) 2.707 12.413 ( 0.000 -1.031 -0.000) 1.031 12.475 ( -0.000 0.164 0.000) 0.164 12.788 ( -0.000 1.676 0.000) 1.676 12.804 ( 0.000 -0.027 -0.000) 0.027 14.288 ( -0.000 8.394 0.000) 8.394 14.638 ( -0.000 38.556 0.000) 38.556 15.272 ( 0.000 -0.002 -0.000) 0.002 15.340 ( 0.000 -0.381 -0.000) 0.381 17.101 ( -0.000 0.012 0.000) 0.012 17.106 ( 0.000 -3.536 -0.000) 3.536 17.191 ( 0.000 -1.707 -0.000) 1.707 17.305 ( -0.000 0.530 0.000) 0.530 17.346 ( -0.000 1.198 0.000) 1.198 17.373 ( 0.000 -0.306 -0.000) 0.306 17.687 ( 0.000 -1.271 -0.000) 1.271 17.707 ( 0.000 -1.238 -0.000) 1.238 20.251 ( -0.000 17.474 0.000) 17.474 20.423 ( -0.000 0.950 0.000) 0.950 20.651 ( -0.000 14.003 0.000) 14.003 20.757 ( -0.000 2.380 0.000) 2.380 27.145 ( 0.000 -0.084 -0.000) 0.084 27.173 ( 0.000 -0.393 -0.000) 0.393 27.597 ( -0.000 0.084 0.000) 0.084 27.665 ( 0.000 -0.499 -0.000) 0.499 30.443 ( -0.000 1.883 0.000) 1.883 30.625 ( -0.000 2.664 0.000) 2.664 33.108 ( 0.000 -1.512 -0.000) 1.512 33.358 ( -0.000 3.646 0.000) 3.646 33.736 ( 0.000 -2.278 -0.000) 2.278 34.094 ( -0.000 2.038 0.000) 2.038 34.420 ( -0.000 2.292 0.000) 2.292 34.489 ( 0.000 -5.135 -0.000) 5.135 35.019 ( 0.000 -5.015 -0.000) 5.015 35.152 ( 0.000 -14.006 -0.000) 14.006 35.509 ( 0.000 -0.121 -0.000) 0.121 36.030 ( 0.000 -2.806 -0.000) 2.806 39.593 ( 0.000 -15.206 -0.000) 15.206 41.569 ( 0.000 -21.862 -0.000) 21.862 46.304 ( -0.000 0.732 0.000) 0.732 46.377 ( 0.000 -2.477 -0.000) 2.477 ======================= Grid point 41 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.476 0.000 -1.442) 4.702 1.172 ( 6.537 0.000 7.920) 10.270 1.580 ( 9.143 0.000 4.177) 10.051 1.596 ( 3.179 0.000 -2.161) 3.844 1.804 ( -16.120 -0.000 -0.997) 16.151 1.853 ( -4.106 -0.000 -6.074) 7.331 2.095 ( 7.800 0.000 5.354) 9.461 2.198 ( -0.081 -0.000 2.019) 2.020 2.339 ( -2.641 -0.000 0.276) 2.655 2.458 ( -1.072 -0.000 0.947) 1.430 2.489 ( 2.204 0.000 -0.598) 2.284 2.592 ( 0.217 0.000 -5.577) 5.581 2.664 ( 10.578 0.000 4.322) 11.427 2.899 ( -2.054 -0.000 0.983) 2.277 2.938 ( -0.245 -0.000 0.385) 0.457 3.019 ( 0.344 0.000 -0.124) 0.366 3.046 ( -9.738 -0.000 -8.438) 12.885 3.151 ( -0.207 -0.000 6.052) 6.056 3.276 ( -0.365 -0.000 -1.698) 1.736 3.340 ( -1.017 -0.000 -0.040) 1.018 3.361 ( -0.430 -0.000 -0.926) 1.021 3.389 ( -5.912 -0.000 -3.425) 6.833 3.509 ( -0.215 -0.000 -0.130) 0.251 3.535 ( 0.530 0.000 -0.251) 0.587 3.642 ( 6.739 0.000 -1.781) 6.970 3.740 ( -3.263 -0.000 5.900) 6.742 3.788 ( 9.565 0.000 -1.867) 9.746 3.791 ( -2.965 -0.000 -1.706) 3.421 3.902 ( -0.590 -0.000 3.090) 3.146 3.962 ( -6.920 -0.000 2.405) 7.325 4.025 ( 0.694 0.000 -0.359) 0.782 4.059 ( -0.281 -0.000 -0.744) 0.795 4.127 ( -1.121 -0.000 -1.579) 1.937 4.167 ( -1.410 -0.000 -0.538) 1.509 4.461 ( -0.767 -0.000 -0.545) 0.941 4.585 ( 0.659 0.000 0.260) 0.709 4.658 ( -0.877 -0.000 -0.523) 1.022 4.759 ( 1.972 0.000 4.821) 5.209 4.810 ( -2.691 -0.000 -3.440) 4.367 5.097 ( 1.526 0.000 0.001) 1.526 9.325 ( 1.816 0.000 0.069) 1.817 9.330 ( 1.909 0.000 -0.064) 1.910 11.361 ( 7.558 0.000 2.689) 8.022 12.077 ( -1.032 -0.000 -1.356) 1.704 12.383 ( -0.879 -0.000 -0.014) 0.880 12.480 ( -0.800 -0.000 0.148) 0.814 12.800 ( 0.726 0.000 0.130) 0.738 12.847 ( 0.737 0.000 -0.044) 0.738 14.737 ( 17.757 0.000 2.490) 17.930 15.241 ( 0.738 0.000 0.046) 0.739 15.281 ( -0.249 -0.000 0.218) 0.330 16.413 ( 1.262 0.000 -2.921) 3.182 17.125 ( -0.239 -0.000 -0.395) 0.461 17.150 ( 0.685 0.000 0.546) 0.877 17.293 ( 1.625 0.000 -2.446) 2.937 17.306 ( 3.009 0.000 1.234) 3.252 17.336 ( 0.291 0.000 0.017) 0.292 17.370 ( -3.936 -0.000 -0.841) 4.025 17.590 ( -2.334 -0.000 -0.771) 2.458 17.741 ( -1.602 -0.000 0.745) 1.767 20.225 ( 6.218 0.000 2.056) 6.549 20.551 ( -1.527 -0.000 -1.141) 1.906 20.703 ( -0.136 -0.000 -0.041) 0.142 23.032 ( 4.460 0.000 -20.387) 20.870 27.037 ( -0.954 -0.000 -0.377) 1.026 27.121 ( -0.558 -0.000 0.231) 0.603 27.598 ( 0.128 0.000 0.015) 0.129 27.668 ( 0.162 0.000 -1.277) 1.287 30.382 ( -1.124 -0.000 -0.003) 1.124 30.819 ( 0.160 0.000 -0.334) 0.370 33.072 ( -0.480 -0.000 0.022) 0.480 33.493 ( 0.621 0.000 -0.031) 0.622 33.571 ( -0.357 -0.000 -0.106) 0.372 33.948 ( -1.074 -0.000 0.155) 1.085 34.155 ( 0.961 0.000 -0.048) 0.962 34.306 ( 0.574 0.000 0.223) 0.615 34.492 ( 0.960 0.000 0.720) 1.200 34.955 ( 1.731 0.000 0.690) 1.863 35.512 ( -0.223 -0.000 0.000) 0.223 35.910 ( -2.720 -0.000 0.655) 2.798 38.794 ( -0.108 -0.000 -1.244) 1.248 40.182 ( -0.519 -0.000 0.974) 1.104 46.240 ( 0.564 0.000 0.080) 0.570 46.352 ( 0.132 0.000 -0.874) 0.884 ======================= Grid point 42 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 -12.819 -0.000) 12.819 1.294 ( 0.000 -7.256 -0.000) 7.256 1.558 ( -0.000 2.787 0.000) 2.787 1.599 ( -0.000 3.850 0.000) 3.850 1.793 ( 0.000 -7.304 -0.000) 7.304 1.912 ( 0.000 -7.283 -0.000) 7.283 2.101 ( -0.000 1.873 0.000) 1.873 2.278 ( 0.000 -6.537 -0.000) 6.537 2.314 ( -0.000 3.637 0.000) 3.637 2.449 ( -0.000 4.191 0.000) 4.191 2.521 ( 0.000 -7.728 -0.000) 7.728 2.598 ( 0.000 -6.433 -0.000) 6.433 2.739 ( -0.000 2.044 0.000) 2.044 2.809 ( -0.000 4.863 0.000) 4.863 2.883 ( 0.000 -2.663 -0.000) 2.663 3.071 ( 0.000 -4.381 -0.000) 4.381 3.120 ( 0.000 -0.434 -0.000) 0.434 3.195 ( -0.000 2.544 0.000) 2.544 3.237 ( -0.000 2.616 0.000) 2.616 3.285 ( 0.000 -0.847 -0.000) 0.847 3.382 ( 0.000 -3.492 -0.000) 3.492 3.418 ( 0.000 -0.689 -0.000) 0.689 3.501 ( 0.000 -0.620 -0.000) 0.620 3.538 ( 0.000 -0.074 -0.000) 0.074 3.629 ( -0.000 2.249 0.000) 2.249 3.704 ( -0.000 1.430 0.000) 1.430 3.725 ( -0.000 4.677 0.000) 4.677 3.843 ( 0.000 -0.449 -0.000) 0.449 3.890 ( -0.000 1.645 0.000) 1.645 3.927 ( 0.000 -1.523 -0.000) 1.523 4.030 ( 0.000 -0.225 -0.000) 0.225 4.048 ( -0.000 1.395 0.000) 1.395 4.179 ( 0.000 -2.536 -0.000) 2.536 4.216 ( 0.000 -7.237 -0.000) 7.237 4.415 ( -0.000 2.850 0.000) 2.850 4.610 ( -0.000 4.434 0.000) 4.434 4.662 ( -0.000 8.561 0.000) 8.561 4.680 ( 0.000 -6.565 -0.000) 6.565 4.773 ( -0.000 0.509 0.000) 0.509 5.172 ( 0.000 -4.161 -0.000) 4.161 9.337 ( 0.000 -0.013 -0.000) 0.013 9.338 ( 0.000 -0.579 -0.000) 0.579 11.397 ( 0.000 -0.636 -0.000) 0.636 12.004 ( -0.000 7.293 0.000) 7.293 12.383 ( 0.000 -0.438 -0.000) 0.438 12.478 ( 0.000 -0.120 -0.000) 0.120 12.803 ( 0.000 -0.009 -0.000) 0.009 12.842 ( -0.000 0.864 0.000) 0.864 14.697 ( -0.000 10.080 0.000) 10.080 15.254 ( 0.000 -0.814 -0.000) 0.814 15.284 ( 0.000 -0.413 -0.000) 0.413 16.193 ( -0.000 23.845 0.000) 23.845 17.108 ( -0.000 3.438 0.000) 3.438 17.132 ( 0.000 -0.838 -0.000) 0.838 17.204 ( -0.000 5.896 0.000) 5.896 17.324 ( -0.000 0.513 0.000) 0.513 17.351 ( 0.000 -0.830 -0.000) 0.830 17.359 ( 0.000 -0.596 -0.000) 0.596 17.620 ( 0.000 -3.007 -0.000) 3.007 17.704 ( -0.000 2.210 0.000) 2.210 20.338 ( 0.000 -6.184 -0.000) 6.184 20.523 ( -0.000 2.144 0.000) 2.144 20.738 ( 0.000 -3.251 -0.000) 3.251 22.390 ( -0.000 56.555 0.000) 56.555 27.083 ( 0.000 -3.904 -0.000) 3.904 27.126 ( 0.000 -0.602 -0.000) 0.602 27.616 ( 0.000 -1.562 -0.000) 1.562 27.642 ( -0.000 2.072 0.000) 2.072 30.431 ( 0.000 -3.699 -0.000) 3.699 30.779 ( -0.000 3.796 0.000) 3.796 33.074 ( 0.000 -0.414 -0.000) 0.414 33.457 ( -0.000 2.061 0.000) 2.061 33.649 ( 0.000 -4.787 -0.000) 4.787 33.982 ( 0.000 -3.657 -0.000) 3.657 34.296 ( 0.000 -11.553 -0.000) 11.553 34.297 ( 0.000 -1.137 -0.000) 1.137 34.621 ( 0.000 -10.828 -0.000) 10.828 34.921 ( -0.000 3.326 0.000) 3.326 35.510 ( -0.000 0.064 0.000) 0.064 35.923 ( 0.000 -2.163 -0.000) 2.163 38.928 ( 0.000 -13.150 -0.000) 13.150 40.460 ( 0.000 -26.217 -0.000) 26.217 46.265 ( 0.000 -2.216 -0.000) 2.216 46.341 ( -0.000 0.986 0.000) 0.986 ======================= Grid point 85 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 11.720 0.000 23.126) 25.927 0.539 ( 16.808 0.000 25.065) 30.179 0.939 ( -0.195 -0.000 43.478) 43.479 1.504 ( -6.048 -0.000 5.372) 8.089 1.772 ( -5.480 -0.000 -13.686) 14.742 1.898 ( -3.357 -0.000 -6.806) 7.589 2.221 ( -2.224 -0.000 3.334) 4.008 2.318 ( 3.522 0.000 -3.251) 4.793 2.502 ( 2.211 0.000 3.000) 3.726 2.506 ( -2.508 -0.000 -0.837) 2.644 2.547 ( -1.299 -0.000 -1.196) 1.765 2.658 ( -5.447 -0.000 0.310) 5.456 2.695 ( -4.838 -0.000 0.937) 4.928 2.958 ( 0.528 0.000 -4.202) 4.235 2.962 ( 4.624 0.000 -6.972) 8.366 3.003 ( 0.472 0.000 -0.693) 0.838 3.027 ( -4.898 -0.000 -2.944) 5.715 3.088 ( -12.589 -0.000 -2.725) 12.880 3.209 ( -5.130 -0.000 1.983) 5.500 3.300 ( -2.141 -0.000 -7.382) 7.686 3.364 ( -1.138 -0.000 -4.148) 4.302 3.378 ( 3.914 0.000 1.192) 4.091 3.453 ( 4.145 0.000 1.195) 4.314 3.546 ( 3.923 0.000 4.866) 6.250 3.566 ( 3.019 0.000 -5.477) 6.254 3.685 ( 2.867 0.000 1.524) 3.247 3.862 ( -1.990 -0.000 0.047) 1.991 3.958 ( -0.090 -0.000 -2.558) 2.560 4.009 ( 3.471 0.000 0.901) 3.586 4.075 ( 3.692 0.000 -6.498) 7.473 4.144 ( 13.063 0.000 1.646) 13.166 4.150 ( 1.381 0.000 1.539) 2.067 4.206 ( -11.296 -0.000 -0.240) 11.298 4.347 ( -3.750 -0.000 1.439) 4.016 4.368 ( 3.316 0.000 2.415) 4.102 4.559 ( -1.898 -0.000 -5.074) 5.418 4.865 ( -0.359 -0.000 -0.113) 0.377 4.875 ( 0.257 0.000 0.236) 0.349 5.221 ( -4.842 -0.000 11.635) 12.603 5.846 ( 45.570 0.000 -4.427) 45.784 8.822 ( 20.610 0.000 11.217) 23.464 9.107 ( -0.011 -0.000 -0.003) 0.011 9.107 ( 0.028 0.000 -0.008) 0.029 9.725 (-178.898 -0.000 -8.809) 179.115 12.588 ( -5.292 -0.000 -0.116) 5.293 12.608 ( 1.909 0.000 -0.311) 1.934 12.617 ( 4.514 0.000 1.260) 4.687 12.703 ( -1.331 -0.000 -0.822) 1.564 13.266 ( -20.391 -0.000 0.464) 20.396 13.346 ( 0.989 0.000 -1.273) 1.612 15.155 ( -0.235 -0.000 0.536) 0.585 15.202 ( 0.354 0.000 -0.464) 0.583 17.121 ( -1.506 -0.000 0.181) 1.517 17.137 ( 0.529 0.000 -0.162) 0.554 17.284 ( 0.923 0.000 0.078) 0.926 17.320 ( -1.698 -0.000 -0.953) 1.948 17.384 ( 2.076 0.000 0.762) 2.212 17.387 ( -6.445 -0.000 0.425) 6.459 17.815 ( -0.406 -0.000 0.423) 0.586 17.862 ( 0.781 0.000 -0.653) 1.018 19.683 ( 2.456 0.000 1.219) 2.742 19.793 ( -49.828 -0.000 -1.150) 49.841 20.618 ( -1.052 -0.000 1.466) 1.805 20.715 ( 1.348 0.000 -0.569) 1.463 27.156 ( -0.904 -0.000 0.288) 0.949 27.174 ( 0.932 0.000 -0.089) 0.936 27.584 ( 0.015 0.000 0.119) 0.120 27.597 ( -2.823 -0.000 -0.153) 2.827 30.536 ( -0.689 -0.000 2.781) 2.865 30.783 ( 1.290 0.000 -2.444) 2.763 33.196 ( -1.427 -0.000 4.698) 4.910 33.595 ( 0.268 0.000 -3.639) 3.649 33.951 ( -6.359 -0.000 0.494) 6.378 33.998 ( 0.746 0.000 -0.526) 0.913 34.173 ( -0.434 -0.000 0.089) 0.443 34.218 ( 1.092 0.000 -1.118) 1.563 34.816 ( 1.050 0.000 0.549) 1.185 34.855 ( -5.288 -0.000 -0.287) 5.296 36.108 ( -15.307 -0.000 0.409) 15.312 36.144 ( 2.203 0.000 -0.393) 2.238 39.652 ( -42.373 -0.000 5.738) 42.760 40.159 ( 4.471 0.000 -5.279) 6.918 46.135 ( -2.343 -0.000 0.359) 2.370 46.169 ( 0.191 0.000 -0.383) 0.428 ======================= Grid point 86 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -1.655 1.824 19.722) 19.875 0.752 ( 8.540 -8.368 18.436) 21.973 1.343 ( 16.558 -20.319 22.919) 34.818 1.385 ( -3.634 5.023 7.014) 9.362 1.693 ( -5.648 1.879 -5.993) 8.447 1.952 ( -1.278 -7.015 -13.940) 15.658 2.195 ( 2.396 2.833 -1.938) 4.186 2.365 ( 5.003 -1.783 -5.828) 7.885 2.408 ( -5.723 0.922 -3.886) 6.978 2.542 ( 0.621 -2.183 0.807) 2.408 2.610 ( -0.992 0.514 2.694) 2.917 2.635 ( -1.529 2.690 0.953) 3.238 2.715 ( -1.562 -7.964 0.376) 8.124 2.864 ( -2.732 3.546 -1.535) 4.733 2.969 ( -0.719 0.111 -2.114) 2.236 3.027 ( -5.526 -4.411 1.863) 7.312 3.055 ( 1.672 -1.409 -3.946) 4.511 3.121 ( -3.022 -4.499 -2.772) 6.087 3.210 ( 1.316 -3.439 -1.309) 3.909 3.305 ( 1.308 -1.508 -7.371) 7.636 3.339 ( -0.036 -0.110 -0.801) 0.809 3.403 ( 1.944 0.442 -2.321) 3.059 3.467 ( 3.115 -0.736 1.627) 3.590 3.546 ( 0.664 -1.610 -2.077) 2.710 3.641 ( -5.411 -0.954 -2.612) 6.084 3.739 ( -1.243 0.845 3.160) 3.499 3.801 ( -3.006 5.672 -3.362) 7.246 3.932 ( 0.143 3.305 -1.927) 3.828 3.982 ( 2.036 1.731 1.887) 3.271 4.062 ( 0.214 0.876 -3.198) 3.323 4.137 ( -1.108 0.664 2.322) 2.657 4.180 ( 3.041 -0.506 2.112) 3.737 4.199 ( 0.717 1.999 0.608) 2.209 4.289 ( 3.661 1.838 0.804) 4.175 4.369 ( -4.606 -0.348 4.649) 6.554 4.593 ( 1.954 -6.249 -2.885) 7.155 4.814 ( -6.241 2.656 0.820) 6.832 4.894 ( 1.589 -0.333 0.511) 1.702 5.070 ( -10.038 6.906 6.950) 14.026 5.378 ( 7.800 16.848 11.484) 21.831 9.103 ( -5.435 -1.960 -0.172) 5.780 9.138 ( 1.848 -2.273 0.472) 2.967 9.397 ( -30.385 -16.193 0.514) 34.434 10.914 ( 69.640 -55.989 -51.522) 103.146 12.537 ( -4.267 1.094 -0.128) 4.407 12.604 ( 2.651 1.424 0.103) 3.011 12.652 ( -0.346 -0.710 0.804) 1.127 12.727 ( 2.151 -1.803 -0.936) 2.958 13.276 ( 3.481 -0.984 0.158) 3.621 13.717 ( 38.557 -19.782 -22.177) 48.681 15.170 ( 0.466 -1.290 0.477) 1.452 15.234 ( 2.220 -2.229 -0.454) 3.179 17.097 ( -1.074 0.770 0.197) 1.336 17.137 ( -0.329 -0.205 -1.331) 1.386 17.294 ( -0.981 0.446 0.943) 1.432 17.301 ( -0.712 -0.298 -0.301) 0.828 17.340 ( -1.650 -0.315 0.843) 1.880 17.416 ( -0.342 -0.619 -0.159) 0.725 17.795 ( -2.066 1.525 0.398) 2.598 17.851 ( -0.611 0.801 -0.430) 1.096 19.682 ( 2.100 -2.322 2.198) 3.826 20.234 ( 9.763 -29.063 -27.268) 41.031 20.606 ( -1.572 0.667 1.232) 2.106 20.721 ( 2.203 0.119 -0.951) 2.402 27.138 ( -2.304 0.824 0.027) 2.447 27.176 ( 1.286 0.322 0.154) 1.335 27.583 ( -0.088 -0.417 0.268) 0.503 27.628 ( -0.588 -2.300 -2.238) 3.263 30.526 ( -1.201 0.818 2.500) 2.891 30.767 ( 0.857 1.935 -2.214) 3.063 33.192 ( -1.430 0.077 4.422) 4.648 33.545 ( 0.332 6.084 0.267) 6.099 33.695 ( -3.989 3.888 9.045) 10.623 34.154 ( 1.061 1.060 -2.352) 2.790 34.170 ( -2.402 -6.992 -2.716) 7.877 34.272 ( 3.332 -3.876 -2.319) 5.613 34.722 ( 0.120 -0.552 7.652) 7.673 35.120 ( -5.093 -14.215 -12.500) 19.603 35.847 ( -12.826 5.484 10.690) 17.574 36.204 ( -3.713 -0.918 -3.191) 4.981 39.234 ( -12.462 -4.320 23.995) 27.381 41.157 ( -21.358 -53.387 -50.081) 76.253 46.152 ( 1.572 -1.124 0.200) 1.943 46.237 ( 1.505 -4.572 -3.894) 6.191 ======================= Grid point 87 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 6.837 -9.122 -1.029) 11.446 1.004 ( 3.527 -8.551 9.263) 13.090 1.343 ( -1.439 -2.540 8.705) 9.182 1.601 ( -1.173 0.198 -4.056) 4.227 1.906 ( 12.060 -16.312 15.592) 25.586 2.063 ( 3.828 -5.255 -14.839) 16.201 2.168 ( 3.138 1.843 -4.151) 5.520 2.350 ( -3.816 -1.765 -5.258) 6.732 2.426 ( 2.034 -0.081 0.357) 2.067 2.521 ( -3.110 0.851 0.351) 3.243 2.575 ( -2.067 -2.135 1.083) 3.163 2.702 ( -1.508 -6.296 1.756) 6.708 2.766 ( -0.416 3.238 -2.829) 4.320 2.866 ( -1.767 -4.027 2.621) 5.120 2.926 ( 0.468 1.388 0.213) 1.481 3.015 ( -1.906 0.867 -2.579) 3.322 3.119 ( 1.364 -3.146 0.592) 3.479 3.161 ( -3.490 -1.932 -3.544) 5.336 3.261 ( 0.788 1.163 -5.330) 5.512 3.310 ( 0.558 2.008 0.710) 2.201 3.334 ( -4.417 1.473 -4.988) 6.824 3.422 ( 1.769 -2.484 -0.106) 3.051 3.502 ( -3.724 -0.078 1.630) 4.065 3.577 ( -1.512 -0.520 -2.152) 2.681 3.604 ( -1.325 1.347 -0.470) 1.947 3.661 ( 2.250 -1.766 -3.468) 4.495 3.682 ( -2.009 4.554 1.797) 5.292 3.878 ( -1.639 0.611 -0.259) 1.768 3.985 ( -1.178 -0.699 3.314) 3.586 4.054 ( -1.514 0.778 -3.650) 4.027 4.078 ( 0.309 2.938 0.373) 2.978 4.170 ( 1.593 -0.186 2.997) 3.399 4.224 ( -0.026 -0.917 2.410) 2.579 4.309 ( 3.347 -0.685 0.644) 3.476 4.423 ( -0.777 -4.106 3.489) 5.444 4.672 ( -7.605 5.013 1.266) 9.196 4.719 ( -0.335 -4.379 1.515) 4.646 4.912 ( 1.651 6.920 4.070) 8.196 4.926 ( -0.754 -1.605 -0.897) 1.987 5.235 ( 7.853 7.685 -1.253) 11.059 9.114 ( -4.255 -3.100 -0.212) 5.269 9.222 ( 3.226 -4.112 1.207) 5.364 9.547 ( -14.569 -14.102 1.917) 20.367 11.622 ( 24.357 -4.538 -15.141) 29.037 12.482 ( -3.420 1.433 -0.115) 3.710 12.597 ( 2.990 1.414 0.013) 3.308 12.653 ( -2.309 -0.552 0.368) 2.403 12.778 ( 2.643 -1.444 -0.421) 3.041 13.324 ( 1.421 -2.154 0.358) 2.605 14.282 ( 51.324 -4.602 -17.401) 54.389 15.207 ( 0.752 -1.744 0.532) 1.972 15.306 ( 4.650 -2.109 0.143) 5.108 17.086 ( -0.311 -0.231 -0.158) 0.418 17.146 ( -0.217 -1.343 -2.188) 2.576 17.276 ( -1.706 0.083 1.079) 2.021 17.308 ( 0.613 0.075 -0.173) 0.641 17.336 ( -1.462 -0.134 -0.278) 1.494 17.416 ( 0.269 0.532 0.521) 0.792 17.725 ( -5.077 2.615 0.324) 5.720 17.832 ( -0.357 0.563 -0.083) 0.672 19.752 ( 4.386 -1.201 2.915) 5.401 20.552 ( 13.076 -0.716 -13.732) 18.975 20.573 ( -0.854 1.378 1.193) 2.013 20.758 ( 6.805 0.008 -7.800) 10.351 27.101 ( -2.635 0.623 -0.137) 2.711 27.184 ( 1.833 0.208 0.187) 1.854 27.594 ( -0.114 -0.591 0.356) 0.700 27.648 ( 0.059 -0.619 -1.826) 1.929 30.491 ( -1.954 2.020 1.860) 3.371 30.721 ( 0.963 3.002 -1.779) 3.620 33.188 ( -1.778 -0.150 3.795) 4.193 33.427 ( 0.149 5.733 3.337) 6.635 33.694 ( -0.584 -1.926 2.174) 2.962 34.105 ( 0.006 3.250 -1.672) 3.655 34.308 ( 0.920 -7.839 -1.494) 8.033 34.360 ( 2.692 -2.514 -4.340) 5.693 34.801 ( -0.229 -5.280 8.651) 10.138 35.270 ( -3.242 -7.709 -11.576) 14.281 35.733 ( -9.630 0.526 8.830) 13.076 36.156 ( -2.853 1.908 -2.069) 4.008 39.460 ( -6.145 -17.577 21.074) 28.121 41.605 ( -16.195 -21.010 -38.743) 46.955 46.194 ( 1.367 -1.900 0.322) 2.363 46.317 ( 1.570 -3.146 -3.785) 5.166 ======================= Grid point 88 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 6.841 -11.916 -4.699) 14.521 1.151 ( 10.708 -8.056 2.784) 13.686 1.464 ( -3.974 -10.374 4.312) 11.916 1.664 ( 2.021 -3.347 1.911) 4.352 2.096 ( -1.781 -0.770 -1.611) 2.521 2.153 ( 4.612 -2.485 -0.404) 5.254 2.164 ( 4.672 0.938 -13.425) 14.246 2.400 ( 0.524 1.509 3.884) 4.200 2.440 ( -1.606 -3.891 0.624) 4.256 2.516 ( -1.998 -3.830 -2.283) 4.886 2.616 ( 1.885 -1.119 -6.342) 6.710 2.709 ( 4.106 0.218 -2.218) 4.671 2.822 ( 1.076 -3.083 3.666) 4.909 2.829 ( -4.958 1.454 0.303) 5.175 2.951 ( 1.492 3.195 1.180) 3.719 3.064 ( -2.292 -5.981 -1.361) 6.548 3.105 ( -1.994 2.411 0.500) 3.169 3.128 ( -2.001 4.967 0.956) 5.440 3.187 ( -0.346 -1.587 -0.807) 1.813 3.239 ( -1.419 1.331 0.790) 2.100 3.288 ( -2.619 1.680 -3.942) 5.022 3.449 ( -0.341 0.993 0.977) 1.435 3.465 ( -3.408 1.228 0.650) 3.680 3.552 ( -2.856 0.150 -1.167) 3.089 3.596 ( -0.567 1.527 0.209) 1.642 3.634 ( 1.970 -2.396 -0.062) 3.102 3.730 ( 0.253 -1.241 -3.266) 3.503 3.803 ( -0.844 6.359 4.440) 7.802 3.999 ( -4.071 -2.967 -0.749) 5.093 4.062 ( 4.166 -2.590 -3.308) 5.917 4.098 ( -0.878 -2.948 -0.768) 3.170 4.210 ( 3.230 -0.513 3.466) 4.765 4.232 ( -1.496 -0.614 3.834) 4.161 4.351 ( 0.694 -1.269 2.003) 2.471 4.454 ( -0.549 1.447 1.179) 1.946 4.588 ( -2.991 -1.612 2.779) 4.389 4.677 ( -3.510 7.702 5.219) 9.944 4.847 ( 1.593 -0.615 -1.592) 2.334 4.991 ( 2.510 -2.596 -1.114) 3.779 5.161 ( 3.339 4.012 -4.905) 7.162 9.151 ( -1.329 -2.623 -0.140) 2.944 9.336 ( 3.401 -4.506 0.950) 5.725 9.685 ( -7.607 -7.862 3.381) 11.451 11.713 ( 8.075 2.664 -5.137) 9.934 12.434 ( -2.254 1.218 -0.112) 2.564 12.595 ( 3.133 1.149 0.019) 3.337 12.643 ( -2.949 -0.469 0.092) 2.988 12.817 ( 1.745 -0.818 -0.195) 1.937 13.378 ( 1.181 -2.115 0.310) 2.442 14.615 ( 34.909 0.547 -8.949) 36.042 15.246 ( 1.291 -1.218 1.172) 2.127 15.368 ( 4.143 -0.336 0.964) 4.267 17.101 ( 0.417 -1.094 0.199) 1.188 17.173 ( -0.088 -1.781 -2.045) 2.713 17.265 ( -0.252 0.545 0.285) 0.665 17.304 ( -1.953 -0.412 0.514) 2.061 17.328 ( 0.314 0.332 -0.416) 0.618 17.399 ( 0.217 1.613 0.775) 1.803 17.637 ( -5.992 1.736 0.019) 6.239 17.825 ( 0.023 0.111 0.138) 0.179 19.791 ( 3.671 0.945 3.411) 5.099 20.530 ( 0.245 1.868 0.405) 1.927 20.592 ( 8.651 2.267 -3.655) 9.661 20.732 ( 3.659 4.999 -6.089) 8.687 27.082 ( -1.441 -0.338 -0.158) 1.488 27.194 ( 1.559 0.142 0.158) 1.573 27.603 ( -0.203 -0.405 0.534) 0.701 27.654 ( 0.218 -0.281 -1.069) 1.127 30.430 ( -2.442 2.513 1.114) 3.677 30.669 ( 1.072 2.676 -1.211) 3.127 33.188 ( -1.991 -0.802 3.043) 3.724 33.337 ( 0.791 4.473 1.990) 4.959 33.741 ( -0.197 -2.863 0.398) 2.897 34.025 ( 1.775 5.187 -2.741) 6.130 34.391 ( -0.877 -1.315 -4.110) 4.403 34.476 ( 4.190 -6.827 1.767) 8.203 34.914 ( -1.800 -4.908 5.782) 7.795 35.349 ( -0.846 -4.114 -8.996) 9.928 35.690 ( -8.018 -1.249 6.499) 10.396 36.102 ( -1.074 1.654 -0.718) 2.099 39.790 ( -4.679 -15.051 19.778) 25.291 41.723 ( -7.520 -8.513 -27.574) 29.822 46.241 ( 1.002 -1.733 0.439) 2.050 46.370 ( 1.151 -1.966 -2.741) 3.564 ======================= Grid point 89 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -2.458 0.064 3.722) 4.461 1.559 ( 16.189 -12.603 -7.990) 22.017 1.638 ( -3.871 -8.470 0.449) 9.323 1.710 ( 2.214 -2.190 5.022) 5.909 2.034 ( 0.632 10.736 -4.261) 11.568 2.115 ( -3.281 -2.872 0.407) 4.379 2.235 ( 2.413 -3.839 -7.488) 8.754 2.374 ( 3.966 2.602 -4.183) 6.325 2.488 ( -3.832 -0.252 -8.973) 9.760 2.527 ( -1.066 2.986 1.046) 3.339 2.625 ( -1.831 -3.670 0.052) 4.102 2.750 ( 0.449 2.410 -3.035) 3.901 2.806 ( -0.106 -2.743 1.503) 3.129 2.871 ( 2.133 -1.141 4.033) 4.703 2.882 ( 3.902 0.237 -3.849) 5.486 2.996 ( -2.691 1.339 2.779) 4.094 3.059 ( 0.663 5.919 1.016) 6.042 3.158 ( -2.107 -1.429 0.454) 2.586 3.190 ( 0.075 -1.916 2.729) 3.335 3.233 ( -0.319 1.953 -2.611) 3.276 3.325 ( 2.128 -4.867 -1.086) 5.422 3.362 ( -2.757 0.660 -0.126) 2.838 3.454 ( -2.054 1.622 5.190) 5.813 3.510 ( -3.622 1.225 -0.352) 3.840 3.598 ( 0.542 -0.767 0.359) 1.006 3.633 ( -0.712 3.251 1.387) 3.606 3.703 ( -2.302 2.742 3.291) 4.863 3.771 ( 2.287 -2.732 -1.779) 3.982 4.011 ( -1.093 -0.254 -2.375) 2.627 4.115 ( -0.337 -1.752 -4.226) 4.587 4.176 ( 2.159 -3.727 -0.574) 4.345 4.212 ( -2.859 0.842 2.822) 4.105 4.266 ( 2.946 -0.884 3.673) 4.790 4.358 ( -0.910 0.691 2.069) 2.363 4.411 ( 0.334 3.071 1.846) 3.598 4.540 ( -1.458 3.095 1.276) 3.651 4.635 ( 0.032 -2.127 4.242) 4.745 4.871 ( 0.980 -0.362 -0.231) 1.070 5.030 ( -0.532 -1.235 -3.498) 3.747 5.119 ( 1.543 1.187 -3.061) 3.628 9.182 ( -0.125 -0.951 -0.044) 0.961 9.430 ( 1.479 -2.521 -0.108) 2.925 9.746 ( -3.300 -2.132 4.770) 6.179 11.695 ( 2.418 1.287 -2.552) 3.744 12.405 ( -0.790 0.528 -0.135) 0.960 12.599 ( 2.335 0.639 0.167) 2.426 12.631 ( -2.337 -0.396 -0.147) 2.375 12.836 ( 0.634 -0.278 -0.119) 0.702 13.415 ( 0.636 -0.813 0.175) 1.047 14.775 ( 12.374 -0.365 -6.873) 14.159 15.279 ( 1.808 -0.603 2.406) 3.069 15.376 ( 0.416 1.299 1.101) 1.753 17.125 ( 0.197 -0.811 0.679) 1.076 17.201 ( 0.001 -1.322 -1.431) 1.948 17.254 ( 0.401 0.501 -0.130) 0.655 17.307 ( -2.213 -1.350 1.154) 2.838 17.327 ( 2.270 0.608 -0.463) 2.395 17.364 ( -0.352 1.741 0.508) 1.847 17.580 ( -3.271 0.404 -0.319) 3.311 17.826 ( 0.051 0.002 0.199) 0.206 19.793 ( 1.040 0.944 3.513) 3.783 20.508 ( -0.332 0.534 1.084) 1.254 20.617 ( 7.499 0.421 -2.172) 7.818 20.645 ( -2.737 2.298 -3.084) 4.720 27.085 ( -0.387 -0.476 -0.068) 0.617 27.201 ( 0.614 0.043 0.130) 0.629 27.607 ( -0.212 -0.072 0.639) 0.677 27.660 ( 0.195 -0.289 -0.665) 0.751 30.378 ( -1.349 1.205 0.654) 1.923 30.635 ( 0.665 1.199 -0.927) 1.655 33.199 ( -1.601 -0.987 2.513) 3.139 33.277 ( 0.687 2.319 1.291) 2.741 33.797 ( -0.513 -2.709 -0.597) 2.821 33.938 ( 2.106 3.919 -3.133) 5.441 34.390 ( -1.482 -0.091 -2.378) 2.803 34.614 ( 3.556 -3.223 2.864) 5.589 34.969 ( -1.476 -1.273 2.882) 3.480 35.388 ( 0.755 -1.413 -7.012) 7.193 35.676 ( -5.968 -1.678 4.776) 7.826 36.077 ( 1.207 0.979 0.410) 1.607 39.995 ( -4.370 -5.325 18.386) 19.634 41.765 ( 0.989 -3.532 -21.785) 22.092 46.271 ( 0.320 -0.676 0.499) 0.899 46.400 ( 0.683 -0.859 -2.170) 2.431 ======================= Grid point 90 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -6.105 0.434 3.255) 6.932 1.678 ( 0.508 1.550 2.986) 3.403 1.739 ( 2.739 1.887 -5.095) 6.084 1.780 ( 1.513 4.033 0.712) 4.366 1.872 ( -2.183 1.325 1.071) 2.769 2.088 ( -0.282 0.299 -1.926) 1.969 2.239 ( -8.441 8.076 -7.801) 14.047 2.324 ( 4.845 4.328 -3.650) 7.452 2.407 ( 1.313 -1.808 -8.646) 8.930 2.543 ( 3.767 -3.674 -0.430) 5.280 2.655 ( -4.555 -3.628 1.321) 5.972 2.725 ( 4.878 0.163 -6.004) 7.737 2.837 ( 1.314 3.038 4.488) 5.576 2.854 ( 1.630 4.285 -3.795) 5.952 2.919 ( 0.026 -0.998 2.363) 2.565 3.035 ( 2.985 -3.209 0.805) 4.456 3.103 ( 4.146 -7.924 -0.517) 8.958 3.154 ( -1.700 0.186 -2.087) 2.698 3.167 ( 1.192 3.085 2.702) 4.270 3.222 ( -0.793 -2.272 3.099) 3.924 3.351 ( -1.727 -0.070 -0.294) 1.753 3.415 ( 1.370 -0.382 0.294) 1.452 3.431 ( -1.323 -1.709 1.539) 2.653 3.472 ( -2.122 -0.665 0.709) 2.334 3.568 ( -1.209 1.921 2.365) 3.278 3.629 ( 0.461 -1.844 0.185) 1.910 3.655 ( -1.247 1.064 0.805) 1.826 3.809 ( -1.313 -0.051 0.483) 1.400 4.000 ( 0.906 0.948 -1.984) 2.378 4.139 ( 1.260 -1.238 -1.734) 2.475 4.157 ( -1.887 1.454 0.694) 2.481 4.224 ( -0.707 -0.032 -2.317) 2.423 4.261 ( -0.513 3.283 4.804) 5.841 4.368 ( 0.136 -0.265 0.989) 1.033 4.379 ( 2.628 0.171 0.187) 2.640 4.505 ( -1.316 1.147 2.762) 3.268 4.665 ( 1.929 0.166 4.295) 4.711 4.866 ( 0.410 1.303 -0.303) 1.400 5.041 ( -2.956 -1.287 -1.601) 3.600 5.124 ( 0.995 -1.704 -4.165) 4.609 9.181 ( 0.190 1.038 -0.042) 1.056 9.436 ( -1.226 2.131 -0.044) 2.459 9.746 ( -0.589 1.445 4.714) 4.966 11.717 ( 0.055 -3.079 -2.092) 3.722 12.402 ( 0.784 -0.304 -0.178) 0.860 12.602 ( -1.215 -0.398 0.241) 1.301 12.629 ( 1.169 0.100 -0.200) 1.190 12.837 ( -0.535 0.185 -0.110) 0.576 13.415 ( -0.468 0.892 0.173) 1.022 14.795 ( -11.971 -3.068 -6.788) 14.099 15.292 ( -1.045 0.791 3.978) 4.188 15.347 ( -0.493 1.003 -0.444) 1.202 17.131 ( -0.535 0.239 0.774) 0.971 17.215 ( 0.287 -0.126 -1.403) 1.437 17.250 ( 0.934 0.523 0.266) 1.103 17.323 ( -1.830 -1.215 0.379) 2.229 17.338 ( -0.824 -0.526 0.238) 1.006 17.348 ( 3.931 -0.004 0.593) 3.975 17.571 ( 1.367 -0.312 -0.530) 1.499 17.824 ( -0.097 0.165 0.171) 0.256 19.792 ( -2.174 -0.647 3.359) 4.053 20.502 ( -1.882 -0.618 0.661) 2.088 20.612 ( -3.853 -1.606 -1.359) 4.390 20.702 ( 2.495 -6.149 -2.521) 7.099 27.089 ( 0.162 0.024 -0.004) 0.164 27.201 ( -0.620 -0.030 0.133) 0.635 27.606 ( -0.055 0.225 0.567) 0.613 27.665 ( 0.007 -0.222 -0.546) 0.589 30.374 ( 0.573 -1.048 0.606) 1.340 30.632 ( 0.185 -0.759 -1.007) 1.274 33.199 ( 0.324 0.925 2.531) 2.714 33.276 ( -1.297 -2.115 1.311) 2.806 33.796 ( 0.961 2.569 -0.617) 2.812 33.941 ( -0.600 -3.978 -3.275) 5.187 34.364 ( -0.590 1.559 -2.034) 2.630 34.648 ( 0.127 1.606 2.845) 3.269 34.951 ( 0.525 3.558 2.344) 4.293 35.392 ( 1.662 0.460 -6.559) 6.782 35.685 ( -2.325 -1.742 4.732) 5.552 36.079 ( 3.130 0.668 0.474) 3.235 39.987 ( -4.262 5.989 17.851) 19.305 41.807 ( 9.410 -0.727 -20.627) 22.683 46.271 ( -0.510 0.705 0.483) 0.995 46.406 ( 0.196 0.198 -2.087) 2.105 ======================= Grid point 91 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -12.537 -0.072 0.697) 12.557 1.447 ( -4.725 17.111 3.685) 18.130 1.556 ( -1.414 11.130 7.008) 13.228 1.684 ( -3.633 11.545 1.174) 12.160 1.894 ( -2.099 7.971 -1.057) 8.311 1.992 ( 1.769 -5.340 -9.027) 10.636 2.150 ( 0.553 -3.237 -5.356) 6.283 2.302 ( 3.739 -0.011 -4.855) 6.128 2.454 ( 1.782 -2.323 1.010) 3.097 2.593 ( 3.323 9.781 -2.706) 10.679 2.656 ( -2.913 1.909 2.388) 4.223 2.714 ( 2.774 2.529 1.179) 3.935 2.785 ( -0.235 -2.844 -5.669) 6.347 2.825 ( 2.210 -2.261 -4.161) 5.225 3.007 ( 5.937 -2.364 -1.615) 6.591 3.103 ( -2.625 0.502 3.093) 4.088 3.114 ( 0.972 2.586 0.940) 2.918 3.145 ( 5.236 -2.195 1.064) 5.776 3.225 ( -1.443 -4.112 1.486) 4.604 3.325 ( -2.199 -4.538 0.055) 5.043 3.347 ( -0.335 0.278 -2.906) 2.938 3.407 ( -1.330 -1.216 -0.624) 1.907 3.453 ( 0.510 -1.034 2.497) 2.751 3.534 ( 4.359 -2.253 2.772) 5.636 3.562 ( -0.315 -2.275 0.294) 2.316 3.634 ( -0.887 -1.903 -2.496) 3.261 3.680 ( -0.515 -0.574 -0.538) 0.940 3.785 ( 0.704 0.147 0.106) 0.727 3.961 ( -0.013 2.867 -1.212) 3.113 4.125 ( 1.405 1.523 3.329) 3.921 4.173 ( -1.864 -0.201 0.146) 1.881 4.194 ( -0.918 1.936 1.040) 2.382 4.213 ( 0.784 0.809 1.514) 1.887 4.331 ( -3.429 2.025 0.264) 3.991 4.404 ( 4.239 0.088 -1.720) 4.575 4.496 ( -1.065 -1.120 3.224) 3.576 4.687 ( 3.790 0.608 4.176) 5.672 4.839 ( 1.076 1.501 -1.433) 2.337 5.016 ( -3.769 0.860 1.014) 3.997 5.179 ( -1.775 -4.301 -4.814) 6.695 9.150 ( 1.259 2.498 -0.117) 2.800 9.345 ( -2.179 5.310 1.149) 5.853 9.687 ( 2.343 6.443 3.097) 7.523 11.792 ( -4.255 -6.100 -3.320) 8.144 12.427 ( 2.272 -1.079 -0.213) 2.525 12.600 ( -2.655 -1.005 0.083) 2.840 12.638 ( 2.480 0.520 0.069) 2.535 12.820 ( -1.639 0.657 -0.162) 1.773 13.381 ( -1.421 1.780 0.352) 2.305 14.696 ( -34.350 -6.120 -8.188) 35.839 15.253 ( -2.232 1.860 2.717) 3.978 15.322 ( -1.547 1.337 -0.466) 2.097 17.117 ( -0.678 0.643 0.595) 1.108 17.202 ( 0.106 1.095 -2.026) 2.306 17.253 ( 1.390 0.121 0.868) 1.643 17.323 ( -1.264 -0.478 -0.284) 1.381 17.351 ( -1.446 -1.133 -0.106) 1.840 17.397 ( 2.482 -1.564 1.503) 3.296 17.615 ( 5.979 -1.531 -0.407) 6.185 17.821 ( -0.036 0.033 0.057) 0.075 19.790 ( -4.491 -0.825 3.056) 5.494 20.514 ( -2.056 -2.160 -0.222) 2.990 20.628 ( -2.266 -2.358 -0.601) 3.325 20.874 ( -9.443 -14.161 -5.757) 17.968 27.091 ( 1.014 -0.006 -0.021) 1.015 27.193 ( -1.597 -0.050 0.151) 1.605 27.600 ( 0.080 0.454 0.394) 0.606 27.668 ( -0.158 -0.279 -0.832) 0.892 30.422 ( 1.637 -2.510 1.027) 3.168 30.661 ( 0.124 -2.248 -1.437) 2.671 33.190 ( 0.513 0.724 3.118) 3.242 33.328 ( -1.660 -3.920 2.102) 4.748 33.751 ( -0.079 2.057 0.531) 2.126 34.022 ( -0.513 -4.815 -3.379) 5.905 34.314 ( 0.307 2.990 -2.283) 3.774 34.587 ( -1.643 3.788 0.263) 4.138 34.840 ( 0.455 8.565 4.379) 9.630 35.375 ( 2.976 1.946 -7.200) 8.030 35.725 ( 1.052 -1.601 6.626) 6.898 36.103 ( 4.750 -0.271 -0.728) 4.813 39.782 ( -4.333 14.414 18.812) 24.092 41.856 ( 18.383 2.654 -24.630) 30.849 46.241 ( -1.170 1.700 0.418) 2.106 46.389 ( -0.417 0.998 -2.592) 2.808 ======================= Grid point 92 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -12.675 7.521 7.433) 16.507 1.075 ( -9.264 18.985 -4.132) 21.525 1.341 ( 7.753 15.524 5.301) 18.144 1.389 ( -4.973 4.504 12.106) 13.841 1.822 ( -6.981 1.108 4.896) 8.599 2.068 ( 4.801 1.155 -10.872) 11.941 2.158 ( -2.867 -3.255 -5.408) 6.932 2.335 ( 6.162 3.310 -6.522) 9.564 2.430 ( 3.207 1.466 -4.148) 5.444 2.520 ( 0.306 0.004 6.834) 6.841 2.636 ( -5.034 -0.530 3.180) 5.977 2.657 ( 4.795 5.889 1.198) 7.688 2.784 ( -0.231 -2.270 1.090) 2.528 2.905 ( 0.883 -1.176 -6.130) 6.304 3.015 ( -0.026 1.057 -1.816) 2.101 3.077 ( -1.774 3.673 3.459) 5.348 3.123 ( -0.589 1.182 -4.380) 4.575 3.148 ( 5.743 -0.976 -1.068) 5.923 3.267 ( -0.035 1.181 -0.809) 1.432 3.318 ( -1.293 0.113 -1.064) 1.679 3.370 ( 2.081 -0.772 -3.018) 3.746 3.419 ( -0.552 0.632 -4.620) 4.696 3.530 ( 0.103 1.288 0.949) 1.604 3.572 ( -1.726 -0.061 2.757) 3.253 3.588 ( 0.181 -6.278 3.036) 6.976 3.663 ( 4.564 -2.940 -0.815) 5.490 3.743 ( -0.432 -5.376 -0.928) 5.473 3.814 ( 2.836 0.905 -3.450) 4.557 3.934 ( 2.718 -0.195 1.105) 2.940 4.083 ( -0.566 3.592 1.107) 3.801 4.132 ( 0.166 3.728 1.801) 4.144 4.164 ( 0.635 0.874 -0.352) 1.136 4.203 ( -1.906 0.100 1.641) 2.517 4.299 ( -5.956 -2.882 0.370) 6.627 4.428 ( 1.664 1.478 4.447) 4.973 4.579 ( 4.941 -6.395 -0.909) 8.133 4.706 ( 2.844 0.899 4.903) 5.739 4.833 ( 3.757 -0.073 -2.759) 4.662 4.965 ( -3.289 1.614 1.091) 3.822 5.234 ( -5.693 -4.983 -0.642) 7.593 9.111 ( 4.490 3.661 -0.278) 5.800 9.224 ( -1.875 5.346 1.465) 5.851 9.536 ( 7.960 13.461 1.079) 15.675 11.835 ( -16.717 -5.981 -9.439) 20.108 12.476 ( 3.508 -1.716 -0.118) 3.907 12.601 ( -2.524 -1.034 -0.046) 2.728 12.642 ( 2.019 0.923 0.336) 2.246 12.787 ( -2.464 1.130 -0.291) 2.726 13.336 ( -2.315 1.238 0.535) 2.679 14.477 ( -54.360 -7.224 -16.096) 57.152 15.208 ( -1.424 1.675 1.419) 2.617 15.270 ( -1.752 2.284 -0.271) 2.891 17.105 ( -0.598 0.011 0.389) 0.714 17.174 ( -0.280 1.158 -2.402) 2.681 17.267 ( 1.320 -0.306 0.972) 1.667 17.323 ( -0.072 -0.022 0.194) 0.208 17.352 ( -1.688 -0.296 -0.316) 1.743 17.435 ( -0.254 -1.211 0.706) 1.425 17.709 ( 6.232 -2.835 0.191) 6.849 17.826 ( 0.533 -0.408 -0.216) 0.705 19.758 ( -4.987 0.999 2.627) 5.724 20.548 ( -1.974 -2.742 -1.059) 3.541 20.660 ( -0.971 -2.185 -0.739) 2.502 21.021 ( -27.833 -14.816 -17.069) 35.854 27.110 ( 2.056 -0.758 -0.064) 2.193 27.181 ( -1.838 -0.027 0.142) 1.844 27.591 ( 0.070 0.538 0.261) 0.602 27.670 ( -0.367 -0.326 -1.832) 1.897 30.484 ( 1.091 -2.211 1.875) 3.098 30.710 ( 0.735 -2.660 -2.115) 3.477 33.190 ( -0.153 0.101 3.880) 3.884 33.409 ( -1.002 -5.078 3.897) 6.479 33.720 ( -1.935 0.588 2.505) 3.219 34.094 ( 1.531 -2.580 -2.809) 4.110 34.250 ( 0.688 3.381 -2.191) 4.087 34.471 ( -3.536 6.544 -4.857) 8.884 34.695 ( 1.715 6.335 8.364) 10.632 35.324 ( 3.988 5.003 -9.113) 11.135 35.785 ( 1.921 -2.269 9.422) 9.880 36.162 ( 6.084 -1.741 -2.275) 6.724 39.482 ( -5.065 14.788 21.115) 26.272 41.852 ( 26.697 11.755 -37.184) 47.260 46.196 ( -1.549 1.761 0.344) 2.371 46.350 ( -1.538 1.753 -4.160) 4.770 ======================= Grid point 93 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 4.678 12.603 18.467) 22.842 0.604 ( -5.744 18.901 6.450) 20.780 1.088 ( 1.969 17.327 28.781) 33.652 1.446 ( -5.003 -8.267 4.318) 10.584 1.782 ( -4.174 -2.075 -2.448) 5.265 1.999 ( 0.921 4.959 -9.961) 11.166 2.203 ( -3.455 -3.656 -3.528) 6.144 2.316 ( 4.355 1.791 -5.879) 7.532 2.470 ( 4.140 -1.549 -0.742) 4.483 2.501 ( -1.101 1.054 4.112) 4.385 2.585 ( 3.317 4.641 4.505) 7.269 2.651 ( -2.797 -4.434 0.180) 5.245 2.757 ( -3.818 4.735 -2.228) 6.478 2.914 ( -1.737 -1.667 -2.929) 3.792 2.977 ( -0.465 2.742 -0.399) 2.809 3.012 ( 2.767 0.197 -2.939) 4.042 3.141 ( 2.474 4.319 -3.960) 6.361 3.153 ( -0.802 -1.284 -3.279) 3.611 3.227 ( -4.535 -1.333 0.760) 4.788 3.324 ( -2.219 -1.658 1.557) 3.178 3.373 ( -1.619 2.581 -6.768) 7.422 3.392 ( 1.875 0.085 -2.021) 2.758 3.430 ( 0.277 3.876 -4.006) 5.581 3.548 ( -0.794 1.789 1.612) 2.536 3.681 ( 2.024 2.768 0.061) 3.430 3.712 ( 3.059 3.929 -1.348) 5.159 3.846 ( -1.064 -5.134 -2.038) 5.625 3.870 ( 5.378 -7.809 0.852) 9.520 3.971 ( 0.300 1.889 -1.175) 2.245 4.027 ( 3.458 -0.736 -1.303) 3.767 4.088 ( 3.074 1.721 2.048) 4.075 4.149 ( -0.033 0.511 0.257) 0.573 4.232 ( 1.791 -3.465 1.781) 4.288 4.293 ( -8.865 -0.400 0.439) 8.885 4.429 ( -3.768 -2.433 5.677) 7.235 4.582 ( 1.052 5.592 -3.739) 6.809 4.831 ( 5.447 -3.699 2.649) 7.097 4.879 ( -0.753 0.182 -0.015) 0.775 5.001 ( 12.291 -9.525 7.694) 17.349 5.302 ( -5.505 -7.365 7.649) 11.960 9.074 ( 12.694 7.181 -0.881) 14.611 9.133 ( -1.799 2.400 0.571) 3.054 9.297 ( 16.384 20.525 -1.762) 26.321 11.566 ( -72.136 7.898 -38.695) 82.239 12.543 ( 4.254 -2.088 0.164) 4.741 12.601 ( -2.544 -0.864 -0.088) 2.688 12.633 ( 1.225 1.347 0.413) 1.866 12.741 ( -2.631 1.422 -0.568) 3.045 13.306 ( -5.129 -1.019 0.471) 5.250 13.997 ( -73.302 7.337 -33.582) 80.961 15.172 ( -1.136 1.161 0.732) 1.782 15.222 ( -0.295 1.702 -0.320) 1.757 17.110 ( -0.565 -0.844 0.340) 1.071 17.149 ( -0.436 0.728 -1.924) 2.103 17.282 ( 0.694 -0.049 0.170) 0.716 17.328 ( 0.339 -0.374 0.383) 0.633 17.342 ( -1.357 -0.443 0.704) 1.592 17.441 ( -1.703 0.085 -0.714) 1.848 17.793 ( 2.295 -1.889 0.609) 3.034 17.844 ( 1.672 -0.638 -0.654) 1.905 19.696 ( -3.501 1.821 1.961) 4.407 20.557 ( -12.761 -0.513 -10.018) 16.232 20.688 ( -3.039 -1.396 -2.403) 4.118 20.791 ( -43.871 8.948 -30.625) 54.246 27.145 ( 1.758 -0.992 0.087) 2.021 27.170 ( -1.024 -0.022 0.026) 1.024 27.583 ( -0.067 0.270 0.236) 0.365 27.655 ( -1.538 1.257 -3.313) 3.863 30.524 ( 0.151 -1.008 2.625) 2.816 30.759 ( 1.343 -1.785 -2.504) 3.356 33.195 ( -1.017 -0.203 4.468) 4.586 33.533 ( 0.595 -6.785 1.959) 7.087 33.728 ( -4.517 -5.007 8.629) 10.952 34.127 ( 3.400 1.067 -3.549) 5.029 34.197 ( 0.413 2.055 -1.716) 2.709 34.286 ( -3.715 6.949 -3.200) 8.505 34.675 ( 2.183 -1.031 7.167) 7.563 35.177 ( 3.571 12.580 -11.955) 17.718 35.905 ( 0.656 -8.231 10.555) 13.402 36.228 ( 4.992 -0.100 -3.889) 6.329 39.313 ( -8.730 -2.824 25.206) 26.824 41.460 ( 19.888 48.239 -62.133) 81.136 46.158 ( -2.095 0.676 0.262) 2.217 46.268 ( -3.842 4.216 -5.929) 8.227 ======================= Grid point 95 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.853 0.000 24.216) 24.698 0.771 ( 13.894 0.000 21.150) 25.306 1.281 ( 20.713 0.000 31.567) 37.756 1.434 ( -4.492 -0.000 1.979) 4.908 1.632 ( -4.711 -0.000 -12.447) 13.309 1.822 ( -1.351 -0.000 -12.365) 12.438 2.270 ( 4.516 0.000 6.540) 7.947 2.355 ( 2.036 0.000 -2.107) 2.930 2.400 ( -1.952 -0.000 -10.453) 10.633 2.503 ( -4.362 -0.000 0.826) 4.440 2.579 ( -8.503 -0.000 -3.284) 9.115 2.599 ( -1.552 -0.000 1.087) 1.895 2.605 ( 2.052 0.000 1.970) 2.845 2.954 ( 0.878 0.000 -7.609) 7.660 2.962 ( 1.724 0.000 -1.873) 2.546 2.996 ( -0.210 -0.000 -3.384) 3.390 3.014 ( 0.956 0.000 -1.241) 1.567 3.052 ( 2.828 0.000 -3.887) 4.807 3.221 ( 3.903 0.000 1.031) 4.037 3.251 ( -0.546 -0.000 -6.933) 6.955 3.369 ( 2.752 0.000 -5.022) 5.726 3.433 ( 2.768 0.000 -0.169) 2.774 3.464 ( -0.088 -0.000 -0.374) 0.384 3.558 ( -3.685 -0.000 -5.665) 6.758 3.623 ( 2.453 0.000 1.926) 3.119 3.677 ( -2.926 -0.000 3.729) 4.740 3.824 ( -2.273 -0.000 -1.966) 3.005 3.964 ( 1.754 0.000 -1.793) 2.508 4.035 ( -2.350 -0.000 -3.509) 4.223 4.063 ( -4.565 -0.000 7.652) 8.910 4.068 ( -0.368 -0.000 -5.965) 5.976 4.195 ( 2.672 0.000 2.003) 3.339 4.262 ( -6.969 -0.000 0.858) 7.022 4.365 ( 12.385 0.000 -3.871) 12.976 4.398 ( -2.473 -0.000 5.010) 5.587 4.514 ( -1.227 -0.000 -5.579) 5.713 4.847 ( -2.707 -0.000 -0.257) 2.719 4.858 ( -2.840 -0.000 2.463) 3.760 5.099 ( -11.735 -0.000 7.584) 13.972 5.308 ( -49.372 -0.000 23.252) 54.573 9.128 ( 3.339 0.000 0.089) 3.341 9.135 ( 3.337 0.000 0.094) 3.339 9.695 ( 72.192 0.000 26.707) 76.974 10.725 ( 151.942 0.000 -87.998) 175.585 12.514 ( -4.314 -0.000 -0.069) 4.314 12.596 ( -2.920 -0.000 0.181) 2.925 12.689 ( 4.171 0.000 1.058) 4.304 12.721 ( 3.532 0.000 -1.168) 3.720 13.456 ( 15.091 0.000 1.560) 15.171 13.733 ( 85.475 0.000 -46.778) 97.438 15.168 ( 1.621 0.000 0.407) 1.671 15.217 ( 1.765 0.000 -0.325) 1.795 17.097 ( -1.705 -0.000 0.286) 1.729 17.141 ( 0.124 0.000 0.202) 0.237 17.290 ( -6.141 -0.000 3.307) 6.975 17.293 ( -1.354 -0.000 -1.009) 1.689 17.303 ( 1.082 0.000 0.416) 1.159 17.413 ( 1.333 0.000 0.992) 1.662 17.789 ( -3.198 -0.000 -0.018) 3.198 17.851 ( -1.458 -0.000 -0.620) 1.585 19.787 ( 9.782 0.000 4.654) 10.832 19.847 ( 42.545 0.000 -21.061) 47.472 20.607 ( -0.963 -0.000 0.989) 1.380 20.747 ( 3.991 0.000 -0.423) 4.013 27.132 ( -2.232 -0.000 -0.148) 2.237 27.180 ( -0.242 -0.000 0.389) 0.458 27.579 ( 0.077 0.000 0.169) 0.186 27.586 ( 0.184 0.000 0.153) 0.239 30.523 ( -2.397 -0.000 2.720) 3.625 30.787 ( 0.403 0.000 -2.221) 2.257 33.191 ( -1.551 -0.000 4.952) 5.189 33.581 ( -0.288 -0.000 -3.630) 3.641 33.832 ( -9.995 -0.000 6.628) 11.993 34.025 ( 2.803 0.000 -0.282) 2.817 34.157 ( -2.658 -0.000 0.586) 2.722 34.236 ( 1.709 0.000 -0.796) 1.885 34.685 ( -14.706 -0.000 9.358) 17.430 34.841 ( 1.864 0.000 0.980) 2.106 35.799 ( -19.609 -0.000 11.754) 22.862 36.147 ( -2.072 -0.000 0.643) 2.170 39.147 ( -25.036 -0.000 22.611) 33.735 40.196 ( 2.247 0.000 -3.173) 3.888 46.180 ( 1.318 0.000 -0.131) 1.324 46.184 ( 5.797 0.000 -2.991) 6.523 ======================= Grid point 96 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 7.957 7.877 16.306) 19.780 0.963 ( 12.380 -3.419 14.229) 19.168 1.366 ( 0.570 2.136 2.053) 3.017 1.579 ( -4.666 -0.970 -8.888) 10.085 1.725 ( 17.581 -16.737 25.205) 34.993 1.889 ( 1.035 -8.571 -15.670) 17.891 2.241 ( 3.006 4.334 -3.030) 6.083 2.326 ( -3.012 2.714 -3.541) 5.383 2.397 ( 0.003 -2.719 -1.507) 3.109 2.521 ( -2.876 -2.223 0.348) 3.652 2.570 ( -5.885 -4.492 1.319) 7.520 2.598 ( -1.739 1.593 4.819) 5.365 2.681 ( -1.793 -6.373 -1.151) 6.720 2.863 ( 2.746 4.200 -5.558) 7.489 2.960 ( 1.536 2.408 -2.875) 4.052 2.982 ( -2.780 -1.160 0.448) 3.046 3.067 ( -0.879 -4.507 -2.182) 5.084 3.090 ( 1.625 -1.912 -5.091) 5.676 3.197 ( 0.162 0.628 -3.764) 3.819 3.335 ( 3.437 -4.910 0.688) 6.033 3.359 ( 2.835 1.991 -4.267) 5.496 3.413 ( -1.191 2.554 -1.638) 3.259 3.480 ( -5.758 -0.140 -2.238) 6.179 3.529 ( -0.143 -2.024 0.108) 2.032 3.567 ( 0.272 0.391 -2.489) 2.535 3.716 ( -1.484 1.184 -0.350) 1.930 3.753 ( -1.295 4.613 -1.012) 4.897 3.908 ( -2.035 2.520 -1.625) 3.624 3.998 ( -1.360 3.646 0.812) 3.975 4.048 ( 0.484 0.118 -0.866) 0.999 4.121 ( -1.122 -3.111 2.872) 4.380 4.190 ( -0.616 1.093 3.569) 3.783 4.247 ( -0.292 5.950 2.850) 6.603 4.274 ( -2.781 -5.232 -1.569) 6.129 4.396 ( 3.133 1.405 1.091) 3.603 4.617 ( 1.877 -6.000 -1.425) 6.447 4.724 ( -5.210 5.670 1.499) 7.844 4.861 ( -7.187 -2.255 1.494) 7.679 4.973 ( -5.577 2.020 4.912) 7.701 5.271 ( -16.977 -6.375 6.719) 19.339 9.128 ( 4.944 1.477 0.595) 5.194 9.213 ( 5.696 -2.651 0.490) 6.302 9.757 ( 69.487 26.981 3.290) 74.614 11.658 ( 33.096 -10.120 -24.414) 42.353 12.477 ( -3.587 0.680 0.005) 3.651 12.582 ( -3.569 -0.892 0.021) 3.679 12.692 ( 4.047 1.956 0.264) 4.503 12.771 ( 3.110 -1.477 -0.412) 3.468 13.438 ( 19.379 8.506 -0.474) 21.169 14.568 ( 72.067 -8.678 -41.234) 83.482 15.188 ( 1.592 -1.005 0.372) 1.919 15.294 ( 7.507 -4.207 -2.681) 9.013 17.082 ( -0.889 0.183 -0.302) 0.957 17.130 ( -0.158 0.284 -0.345) 0.473 17.260 ( -2.487 -0.391 1.654) 3.012 17.300 ( -1.968 -0.747 -1.120) 2.384 17.320 ( 0.792 -0.624 0.299) 1.052 17.425 ( 0.640 -0.078 0.875) 1.087 17.741 ( -4.861 2.291 -0.459) 5.393 17.827 ( -2.274 0.359 -0.202) 2.311 19.818 ( 14.510 1.542 0.290) 14.595 20.503 ( 27.500 -16.639 -25.978) 41.328 20.592 ( -0.874 0.884 0.700) 1.427 20.803 ( 15.509 -1.456 -8.772) 17.877 27.099 ( -2.484 1.080 -0.316) 2.727 27.187 ( 0.027 -0.699 0.352) 0.783 27.584 ( 0.216 -0.358 0.180) 0.455 27.620 ( 0.254 -2.036 -1.654) 2.635 30.506 ( -2.363 0.530 1.856) 3.051 30.768 ( 0.282 1.705 -2.014) 2.653 33.183 ( -1.978 0.312 4.994) 5.380 33.544 ( -0.301 4.777 -0.699) 4.837 33.675 ( -2.853 1.612 8.832) 9.421 34.105 ( -3.867 -2.622 0.639) 4.716 34.181 ( 2.665 -3.257 -3.721) 5.617 34.328 ( 4.339 -5.169 -2.683) 7.262 34.714 ( -5.644 -5.687 7.582) 11.031 34.978 ( -6.415 -12.681 -5.918) 15.394 35.686 ( -10.940 0.977 9.550) 14.555 36.136 ( -4.749 -0.529 -0.492) 4.803 39.144 ( -9.395 -11.553 20.247) 25.133 40.737 ( -15.108 -41.735 -22.339) 49.690 46.187 ( 2.575 -0.358 -0.213) 2.608 46.262 ( 2.947 -3.163 -3.393) 5.495 ======================= Grid point 97 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 17.541 -10.316 1.053) 20.377 1.144 ( 11.403 -4.063 6.694) 13.833 1.361 ( -0.277 0.670 7.673) 7.707 1.585 ( 1.292 -5.309 -3.797) 6.654 2.038 ( 3.854 -5.573 -8.944) 11.221 2.134 ( 3.677 -6.834 1.087) 7.836 2.218 ( 4.214 3.568 -2.959) 6.265 2.263 ( -3.425 -6.574 -2.221) 7.738 2.447 ( -2.585 -2.441 4.111) 5.435 2.464 ( -3.366 1.665 5.935) 7.023 2.595 ( 5.274 -1.633 -1.991) 5.869 2.692 ( 0.217 -7.868 4.047) 8.850 2.777 ( 2.388 -0.541 -4.793) 5.383 2.835 ( -0.220 1.972 -3.834) 4.317 2.952 ( -1.921 -2.535 2.618) 4.120 2.959 ( -3.031 -1.856 0.157) 3.558 3.104 ( -3.346 -0.737 -0.737) 3.504 3.134 ( 0.100 -2.255 -3.519) 4.181 3.198 ( -3.187 -1.794 -5.281) 6.424 3.250 ( -5.063 6.253 -1.821) 8.249 3.317 ( 1.842 4.556 -0.460) 4.935 3.436 ( -2.341 -0.959 -0.429) 2.566 3.454 ( -0.871 0.151 1.279) 1.555 3.549 ( -0.180 1.378 -4.136) 4.364 3.598 ( 1.979 -3.518 -2.793) 4.908 3.655 ( -2.051 4.673 0.481) 5.126 3.685 ( 0.617 -1.028 -0.803) 1.443 3.889 ( 2.599 -1.882 -0.373) 3.230 3.942 ( -3.127 1.819 2.968) 4.679 4.061 ( 1.647 -0.984 -0.495) 1.981 4.076 ( -1.963 4.578 0.661) 5.024 4.188 ( -1.011 -2.152 5.661) 6.140 4.236 ( 0.434 -1.194 1.634) 2.070 4.333 ( 0.192 -1.329 -2.034) 2.437 4.433 ( 0.454 -3.440 2.186) 4.101 4.576 ( -4.818 4.347 0.076) 6.490 4.710 ( -3.430 -1.731 5.638) 6.823 4.856 ( -4.940 1.005 0.063) 5.041 4.918 ( -5.498 -2.969 0.799) 6.299 5.230 ( -4.345 1.761 -2.396) 5.265 9.151 ( 5.696 0.512 0.366) 5.731 9.312 ( 5.797 -2.667 1.167) 6.487 9.851 ( 53.387 12.893 -1.260) 54.937 11.803 ( 5.899 2.076 -5.766) 8.506 12.438 ( -2.378 0.909 0.041) 2.546 12.572 ( -3.963 -1.017 -0.028) 4.091 12.685 ( 4.205 2.016 -0.028) 4.663 12.812 ( 1.756 -0.928 -0.190) 1.995 13.449 ( 16.050 4.498 -0.001) 16.668 14.903 ( 31.370 4.387 -13.865) 34.577 15.232 ( 2.159 -1.719 0.432) 2.793 15.422 ( 11.724 0.125 -1.874) 11.874 17.084 ( -0.020 -0.827 -0.220) 0.856 17.139 ( 0.074 -1.217 -1.394) 1.852 17.261 ( -1.494 -0.782 1.612) 2.333 17.281 ( -2.737 0.592 -1.117) 3.015 17.333 ( 0.927 -0.155 -0.006) 0.940 17.425 ( 0.073 0.638 0.878) 1.087 17.641 ( -5.234 2.989 -0.677) 6.065 17.812 ( -2.220 -0.505 0.060) 2.277 19.894 ( 13.424 2.550 0.974) 13.699 20.556 ( -1.293 1.537 0.908) 2.205 20.667 ( 4.570 0.869 -2.615) 5.336 20.921 ( 17.690 6.606 -15.579) 24.481 27.071 ( -0.908 0.116 -0.403) 1.000 27.201 ( 0.384 -0.401 0.231) 0.601 27.595 ( 0.119 -0.453 0.392) 0.611 27.644 ( 0.118 -0.800 -1.491) 1.696 30.466 ( -1.742 2.216 0.843) 2.942 30.723 ( -0.029 2.635 -1.433) 2.999 33.171 ( -2.202 0.020 4.353) 4.878 33.440 ( 0.160 5.204 2.036) 5.590 33.699 ( 0.139 -1.931 2.692) 3.316 34.094 ( -0.885 1.244 -0.424) 1.585 34.301 ( 1.155 -6.623 -4.657) 8.178 34.426 ( 5.286 -2.164 -0.574) 5.741 34.807 ( -2.707 -5.892 6.596) 9.249 35.150 ( -6.952 -11.337 -8.728) 15.907 35.626 ( -7.185 -0.129 6.967) 10.009 36.100 ( -4.068 0.187 -0.577) 4.113 39.445 ( -5.462 -19.067 19.477) 27.798 41.244 ( -14.403 -27.029 -26.120) 40.252 46.223 ( 2.324 -1.301 0.030) 2.664 46.328 ( 1.272 -2.624 -2.641) 3.935 ======================= Grid point 98 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 10.608 0.208 1.371) 10.698 1.388 ( 15.014 -12.777 0.672) 19.727 1.454 ( 3.531 -9.257 0.786) 9.939 1.710 ( 1.558 -3.588 3.825) 5.471 2.090 ( 1.204 0.436 -2.956) 3.221 2.151 ( -1.194 -2.058 -3.747) 4.438 2.176 ( 0.480 3.047 -8.588) 9.125 2.405 ( -0.889 -3.361 0.811) 3.570 2.436 ( -0.522 -0.305 2.615) 2.684 2.518 ( 3.793 -4.863 -4.184) 7.452 2.613 ( 0.285 2.432 0.058) 2.450 2.744 ( -5.931 1.612 0.516) 6.167 2.793 ( 8.611 -0.820 -7.025) 11.144 2.872 ( 2.371 -3.427 1.950) 4.600 2.948 ( -1.411 5.126 -1.414) 5.501 2.973 ( -7.131 -0.328 -2.623) 7.606 3.097 ( -2.088 -5.350 0.605) 5.774 3.101 ( -1.971 -0.880 5.857) 6.243 3.186 ( -0.139 3.070 -1.443) 3.395 3.237 ( -1.033 0.667 0.801) 1.468 3.249 ( 1.925 -3.109 -0.601) 3.706 3.386 ( -5.102 2.731 -0.288) 5.794 3.455 ( 0.332 -0.502 -0.268) 0.659 3.501 ( -2.631 1.735 -2.159) 3.820 3.584 ( -0.565 -0.082 -1.440) 1.549 3.652 ( -1.092 -0.592 1.666) 2.078 3.737 ( 3.434 -0.818 -2.055) 4.085 3.826 ( -1.401 6.873 5.577) 8.962 3.945 ( -1.282 -2.990 -3.023) 4.441 4.058 ( -1.051 -2.705 -0.466) 2.939 4.122 ( 2.560 -3.358 -0.629) 4.269 4.213 ( -2.449 0.286 2.778) 3.715 4.280 ( 3.425 -1.454 4.237) 5.639 4.347 ( -2.045 -0.760 0.924) 2.369 4.456 ( 0.665 1.211 -0.650) 1.526 4.551 ( -2.618 -3.314 3.548) 5.516 4.614 ( -8.515 4.827 6.958) 12.009 4.833 ( -3.251 -2.335 -0.998) 4.125 4.963 ( -3.762 -3.377 -4.253) 6.606 5.161 ( 0.116 2.628 -3.306) 4.225 9.188 ( 4.797 0.034 0.063) 4.797 9.396 ( 2.574 -2.225 0.862) 3.510 9.999 ( 45.563 11.229 0.210) 46.927 11.744 ( -1.549 3.677 -2.004) 4.465 12.410 ( -0.800 0.617 -0.029) 1.011 12.561 ( -4.373 -1.048 -0.015) 4.497 12.679 ( 4.485 1.826 -0.121) 4.844 12.832 ( 0.368 -0.395 -0.093) 0.548 13.489 ( 14.195 3.571 0.084) 14.638 14.920 ( 9.746 7.359 -8.088) 14.648 15.278 ( 1.867 -1.222 0.886) 2.401 15.428 ( 1.258 3.573 1.653) 4.133 17.108 ( 0.132 -1.242 0.336) 1.294 17.164 ( -0.520 -1.703 -1.368) 2.245 17.242 ( -4.676 -0.761 0.049) 4.738 17.276 ( 0.708 -0.249 1.181) 1.400 17.341 ( 0.991 0.071 -0.229) 1.020 17.400 ( -0.874 1.639 0.474) 1.917 17.577 ( -0.742 0.862 -0.758) 1.367 17.810 ( -2.001 -0.819 0.182) 2.170 19.908 ( 10.582 5.605 2.214) 12.177 20.519 ( -1.640 1.227 0.891) 2.233 20.657 ( 1.408 1.801 -0.580) 2.358 20.781 ( 3.460 10.607 -6.335) 12.830 27.078 ( 1.008 -0.555 -0.237) 1.174 27.207 ( 0.068 0.092 0.159) 0.196 27.603 ( -0.109 -0.301 0.622) 0.700 27.654 ( 0.236 -0.414 -0.952) 1.064 30.409 ( -0.371 2.432 0.411) 2.494 30.667 ( -0.883 2.366 -0.993) 2.714 33.169 ( -1.969 -0.777 3.471) 4.065 33.354 ( 0.692 4.297 1.051) 4.477 33.743 ( 0.038 -2.193 1.151) 2.477 34.042 ( 1.807 4.339 -2.711) 5.426 34.365 ( 0.109 -1.188 -5.043) 5.182 34.547 ( 2.370 -5.810 4.349) 7.634 34.914 ( 0.423 -4.868 3.325) 5.910 35.278 ( -4.535 -7.727 -7.835) 11.902 35.604 ( -5.424 -1.287 5.670) 7.952 36.079 ( -1.979 -0.537 -0.001) 2.051 39.789 ( -4.676 -15.284 18.916) 24.764 41.526 ( -5.720 -15.643 -22.709) 28.163 46.263 ( 1.690 -0.972 0.269) 1.968 46.374 ( 0.362 -1.852 -2.048) 2.784 ======================= Grid point 99 (39/115) ======================= q-point: ( 0.56 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 7.692 5.801 1.950) 9.830 1.612 ( 0.315 -7.537 -0.619) 7.569 1.727 ( 7.086 -4.526 -8.659) 12.069 1.766 ( 2.396 -1.492 5.904) 6.544 2.017 ( -2.456 6.861 1.653) 7.473 2.101 ( 3.412 -1.023 -2.112) 4.142 2.255 ( 4.089 -3.281 -5.960) 7.938 2.396 ( -0.716 4.666 -7.808) 9.124 2.430 ( 1.871 1.218 -5.923) 6.329 2.531 ( -0.721 0.587 0.805) 1.230 2.584 ( -0.886 -0.235 1.267) 1.563 2.766 ( 4.177 0.236 -2.341) 4.794 2.824 ( -0.807 0.579 -1.838) 2.089 2.893 ( -1.165 -5.469 -0.640) 5.628 2.902 ( -0.849 0.652 1.961) 2.234 2.954 ( -0.604 -4.474 -1.369) 4.718 3.074 ( -0.536 5.695 1.081) 5.822 3.147 ( 0.726 -1.994 2.103) 2.988 3.182 ( -1.954 -2.345 -4.780) 5.672 3.237 ( 2.238 1.047 3.589) 4.357 3.318 ( -0.457 -2.489 -1.361) 2.874 3.363 ( -0.090 -4.546 2.136) 5.024 3.435 ( -2.604 3.167 4.643) 6.195 3.463 ( -1.220 0.705 -1.805) 2.289 3.593 ( -5.829 1.906 2.427) 6.596 3.608 ( -0.801 -1.110 2.387) 2.752 3.691 ( 1.761 4.242 0.411) 4.611 3.802 ( 1.805 -0.656 -1.031) 2.180 3.983 ( -1.144 -2.279 -2.486) 3.561 4.094 ( -1.560 -1.682 1.000) 2.503 4.182 ( -0.258 0.727 -2.242) 2.371 4.200 ( 0.997 -1.461 0.035) 1.769 4.314 ( -0.652 1.315 4.185) 4.435 4.348 ( -0.686 -1.466 -0.047) 1.620 4.421 ( 0.755 2.468 3.265) 4.162 4.498 ( -4.503 0.042 2.894) 5.353 4.650 ( -0.543 -4.042 4.216) 5.866 4.839 ( -6.734 -1.944 -1.156) 7.104 4.971 ( -1.161 -1.002 -4.642) 4.889 5.125 ( 0.319 1.036 -1.626) 1.954 9.213 ( 3.843 0.875 -0.004) 3.941 9.428 ( -1.885 -0.502 -0.033) 1.951 10.086 ( 41.317 13.875 3.426) 43.719 11.669 ( -4.957 0.511 -2.098) 5.407 12.405 ( 0.846 -0.062 -0.093) 0.853 12.548 ( -4.543 -1.149 -0.037) 4.687 12.682 ( 4.599 1.434 -0.002) 4.817 12.833 ( -0.912 0.051 -0.101) 0.919 13.511 ( 12.752 4.779 0.039) 13.618 14.736 ( -14.112 8.110 -5.836) 17.291 15.301 ( -0.449 0.051 2.092) 2.140 15.365 ( -1.958 1.696 0.826) 2.719 17.124 ( -0.573 -0.512 0.744) 1.070 17.194 ( -0.430 -1.977 -0.905) 2.216 17.244 ( -1.805 -1.632 -0.132) 2.436 17.286 ( -0.190 -0.334 0.825) 0.910 17.337 ( -0.806 0.818 -0.209) 1.168 17.372 ( 0.755 0.464 0.217) 0.912 17.587 ( 4.243 -0.361 -0.417) 4.278 17.810 ( -2.125 -0.713 0.241) 2.254 19.859 ( 5.801 5.802 3.534) 8.933 20.479 ( -4.549 1.077 -0.440) 4.695 20.582 ( -3.546 2.833 -0.957) 4.639 20.688 ( 2.845 0.913 -2.005) 3.599 27.096 ( 1.752 -0.089 -0.050) 1.755 27.199 ( -0.834 0.379 0.124) 0.924 27.607 ( -0.138 -0.119 0.675) 0.699 27.661 ( 0.196 -0.203 -0.636) 0.696 30.381 ( 1.509 0.802 0.535) 1.791 30.623 ( -1.625 0.747 -0.962) 2.031 33.187 ( -1.257 -1.684 2.759) 3.468 33.288 ( 0.271 2.987 0.875) 3.124 33.795 ( 0.338 -2.933 -0.206) 2.959 33.951 ( 1.239 5.088 -3.428) 6.259 34.373 ( 0.513 -0.191 -2.020) 2.093 34.636 ( -2.378 -2.185 3.118) 4.489 35.001 ( 4.374 -1.062 2.136) 4.983 35.351 ( -2.065 -3.973 -7.235) 8.509 35.620 ( -3.260 -2.835 5.586) 7.062 36.088 ( -0.249 -1.001 0.138) 1.041 39.994 ( -4.421 -5.373 18.038) 19.333 41.713 ( 2.381 -9.431 -20.504) 22.694 46.281 ( 0.695 0.158 0.478) 0.858 46.398 ( 0.006 -0.804 -1.974) 2.132 ======================= Grid point 100 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 3.880 9.142 -1.130) 9.995 1.595 ( -13.624 6.755 -2.108) 15.352 1.708 ( 0.060 4.205 3.171) 5.267 1.825 ( 4.530 -1.944 -0.252) 4.936 1.979 ( 9.577 0.709 1.128) 9.669 2.059 ( -9.574 15.324 -6.009) 19.042 2.136 ( 6.844 -0.455 -4.432) 8.167 2.367 ( 0.522 2.891 -1.549) 3.321 2.432 ( 5.974 0.003 -7.237) 9.384 2.580 ( -2.223 -5.327 -3.728) 6.871 2.640 ( 6.333 -5.199 -1.086) 8.266 2.755 ( -1.091 2.983 -0.916) 3.305 2.832 ( 0.166 1.728 -2.605) 3.131 2.853 ( 0.370 1.297 -2.741) 3.055 2.949 ( 0.614 0.076 3.118) 3.178 3.062 ( -0.420 -6.863 2.693) 7.384 3.088 ( -2.045 -5.270 -0.901) 5.724 3.180 ( 1.068 -0.778 -2.517) 2.843 3.199 ( 1.359 2.998 2.108) 3.909 3.233 ( 1.775 -1.724 1.786) 3.052 3.316 ( -3.883 -0.009 2.556) 4.649 3.375 ( -2.709 0.897 -0.160) 2.858 3.447 ( 0.965 -2.587 1.477) 3.131 3.483 ( 2.597 -4.564 0.686) 5.296 3.554 ( -2.218 -0.963 2.971) 3.830 3.625 ( 1.501 2.500 -0.563) 2.970 3.662 ( 1.072 -1.996 1.020) 2.485 3.787 ( -1.796 1.640 0.381) 2.462 4.002 ( 0.373 0.307 -1.962) 2.020 4.116 ( -3.110 -2.094 1.141) 3.919 4.171 ( 2.270 0.986 0.484) 2.522 4.197 ( -0.842 0.311 -3.708) 3.815 4.265 ( -1.192 3.123 4.652) 5.728 4.345 ( -2.352 0.479 0.200) 2.409 4.432 ( 2.672 -0.025 -3.062) 4.064 4.477 ( -3.060 -0.058 5.458) 6.257 4.714 ( 2.471 -1.262 4.567) 5.344 4.826 ( -7.399 -2.770 -0.310) 7.907 4.967 ( -1.571 0.053 -2.416) 2.882 5.115 ( -0.397 -0.369 -2.505) 2.563 9.211 ( 3.433 2.085 0.072) 4.017 9.386 ( -4.641 1.979 -0.422) 5.063 10.103 ( 37.344 15.667 6.860) 41.074 11.644 ( -8.533 -3.314 -4.554) 10.224 12.425 ( 2.307 -0.832 -0.149) 2.457 12.539 ( -4.412 -1.463 -0.119) 4.650 12.691 ( 4.213 1.246 0.323) 4.405 12.818 ( -1.837 0.440 -0.223) 1.903 13.494 ( 11.429 6.311 0.346) 13.060 14.418 ( -32.497 4.391 -5.124) 33.190 15.279 ( -1.411 1.432 2.222) 2.996 15.337 ( -0.602 0.985 -0.528) 1.270 17.122 ( -0.794 0.317 0.729) 1.123 17.216 ( 0.488 0.018 -1.614) 1.686 17.263 ( 0.438 -0.693 -0.129) 0.830 17.291 ( -1.651 -0.845 -0.066) 1.856 17.320 ( -1.263 -0.588 0.857) 1.635 17.387 ( 0.824 -0.900 0.186) 1.234 17.642 ( 6.783 -0.867 0.031) 6.838 17.806 ( -2.410 -0.619 0.207) 2.497 19.802 ( 1.128 3.229 4.565) 5.704 20.432 ( -6.369 -2.055 -3.428) 7.519 20.554 ( -2.282 -1.273 0.733) 2.714 20.712 ( 0.368 -2.116 -2.527) 3.316 27.107 ( 2.034 0.343 0.022) 2.063 27.182 ( -1.938 0.345 0.127) 1.973 27.608 ( 0.010 0.145 0.544) 0.563 27.662 ( -0.044 -0.045 -0.589) 0.592 30.403 ( 2.432 -1.171 1.085) 2.910 30.616 ( -1.482 -1.428 -1.284) 2.426 33.215 ( 0.722 -0.005 2.300) 2.411 33.258 ( -1.735 -1.242 1.697) 2.726 33.816 ( 1.930 3.380 -1.304) 4.104 33.914 ( -1.388 -3.925 -2.663) 4.942 34.366 ( 1.582 1.665 -0.819) 2.438 34.618 ( -4.049 1.428 0.548) 4.328 34.997 ( 2.874 5.054 3.344) 6.707 35.383 ( 0.752 -1.271 -7.162) 7.313 35.684 ( -0.317 -3.718 6.357) 7.371 36.109 ( 0.607 -1.076 -0.680) 1.410 39.988 ( -4.226 5.878 18.193) 19.580 41.863 ( 7.848 -6.101 -22.116) 24.247 46.268 ( -0.154 1.416 0.592) 1.542 46.397 ( -0.165 0.404 -2.319) 2.359 ======================= Grid point 101 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -2.524 8.875 -2.978) 9.696 1.297 ( -13.627 11.345 4.295) 18.244 1.591 ( 1.736 9.454 -3.145) 10.114 1.643 ( -2.921 16.247 4.245) 17.045 1.882 ( 1.603 2.166 4.970) 5.654 2.054 ( 6.906 -1.918 -6.546) 9.707 2.181 ( 6.878 4.846 -10.247) 13.259 2.340 ( 2.649 -4.420 -1.729) 5.435 2.495 ( 1.221 -2.688 2.235) 3.703 2.549 ( -4.418 8.060 -4.486) 10.227 2.630 ( -1.285 2.167 2.765) 3.741 2.765 ( 0.654 0.994 -0.178) 1.203 2.786 ( 1.731 1.468 -0.130) 2.273 2.844 ( 4.501 -3.295 -10.037) 11.483 3.013 ( -6.414 1.249 4.539) 7.956 3.100 ( 0.512 -3.083 -3.121) 4.416 3.133 ( -1.969 0.922 -1.890) 2.881 3.154 ( 0.307 -0.364 4.270) 4.296 3.235 ( 0.486 -3.668 1.923) 4.170 3.298 ( -3.107 -0.290 -2.050) 3.734 3.321 ( 0.282 -4.700 0.198) 4.713 3.388 ( 1.602 -1.691 -0.378) 2.360 3.494 ( 1.835 -1.626 1.455) 2.851 3.549 ( 0.027 -0.542 2.037) 2.108 3.598 ( -0.658 -2.584 -1.957) 3.308 3.646 ( 4.524 0.310 -0.036) 4.535 3.667 ( -0.227 -0.364 0.182) 0.466 3.812 ( 3.506 -4.006 -0.216) 5.328 3.980 ( 1.848 1.901 0.234) 2.662 4.112 ( -5.280 -0.979 -0.954) 5.454 4.130 ( -1.646 2.146 -1.005) 2.885 4.196 ( 0.691 0.843 0.249) 1.118 4.222 ( -0.811 1.959 5.297) 5.706 4.294 ( -0.933 3.070 0.949) 3.346 4.469 ( 2.891 0.150 1.854) 3.438 4.477 ( -0.360 -4.567 0.852) 4.659 4.751 ( 2.523 0.592 3.141) 4.072 4.827 ( -4.659 -2.097 0.078) 5.110 4.943 ( -2.131 0.403 -0.473) 2.220 5.119 ( -2.105 -1.504 -3.611) 4.442 9.189 ( 2.996 2.559 0.217) 3.946 9.293 ( -4.226 3.697 -0.329) 5.624 10.062 ( 30.084 16.980 9.948) 35.949 11.613 ( -14.472 -2.455 -10.852) 18.255 12.470 ( 3.410 -1.543 -0.170) 3.747 12.538 ( -4.105 -1.774 -0.232) 4.478 12.694 ( 2.943 1.402 0.805) 3.358 12.789 ( -1.917 0.911 -0.528) 2.187 13.443 ( 8.329 6.848 1.415) 10.875 14.094 ( -32.126 1.846 -8.513) 33.286 15.242 ( -0.552 1.905 1.256) 2.347 15.303 ( -0.438 1.928 -0.224) 1.990 17.106 ( -0.792 0.614 0.395) 1.077 17.195 ( -0.013 1.496 -2.602) 3.002 17.278 ( 1.447 -0.017 0.456) 1.517 17.299 ( -1.691 -1.334 -0.249) 2.168 17.335 ( -0.675 -0.953 1.189) 1.666 17.410 ( -0.258 -1.146 -0.052) 1.176 17.714 ( 5.441 -1.402 0.609) 5.652 17.805 ( -1.843 -1.121 -0.111) 2.160 19.765 ( -1.493 1.657 5.123) 5.587 20.454 ( -3.478 -4.356 -6.400) 8.488 20.577 ( -3.173 -2.811 0.796) 4.314 20.752 ( -2.894 -3.189 -5.129) 6.697 27.120 ( 2.550 -0.047 0.049) 2.551 27.160 ( -2.727 -0.031 0.124) 2.730 27.603 ( 0.077 0.452 0.381) 0.596 27.661 ( -0.199 -0.093 -0.993) 1.017 30.455 ( 1.409 -2.051 1.889) 3.124 30.651 ( -0.275 -3.031 -1.821) 3.546 33.205 ( -0.046 0.945 2.641) 2.805 33.316 ( -1.063 -4.412 2.846) 5.357 33.750 ( -0.195 3.046 -0.093) 3.053 34.009 ( 0.352 -5.672 -3.101) 6.474 34.327 ( 2.062 3.528 -0.209) 4.092 34.536 ( -3.608 3.790 -3.355) 6.216 34.880 ( 1.319 8.583 6.596) 10.905 35.383 ( 1.882 1.075 -7.962) 8.252 35.760 ( -0.041 -2.590 7.620) 8.048 36.142 ( 0.956 -2.161 -2.171) 3.209 39.785 ( -4.461 14.467 19.686) 24.834 41.975 ( 9.291 -2.642 -29.788) 31.315 46.230 ( -0.510 2.235 0.630) 2.378 46.371 ( -0.268 1.573 -3.199) 3.575 ======================= Grid point 102 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -7.774 4.329 3.167) 9.445 0.973 ( -3.132 16.301 3.454) 16.955 1.349 ( -3.422 4.342 7.586) 9.387 1.546 ( 11.928 8.760 6.356) 16.106 1.754 ( -3.244 8.861 9.688) 13.524 2.077 ( 2.920 4.331 -14.466) 15.381 2.145 ( 2.400 -2.623 -5.913) 6.899 2.378 ( 2.972 3.544 -7.808) 9.075 2.432 ( -1.761 -0.799 0.525) 2.004 2.552 ( -1.573 -2.450 -0.767) 3.011 2.586 ( 0.028 2.536 3.910) 4.661 2.707 ( 0.704 6.411 1.711) 6.672 2.803 ( -0.505 -4.227 3.481) 5.499 2.860 ( -1.425 3.189 -7.205) 8.007 2.974 ( -5.093 -1.518 2.090) 5.711 3.045 ( -1.240 0.637 -3.177) 3.470 3.111 ( -0.582 1.542 0.831) 1.846 3.223 ( -1.003 1.023 -0.548) 1.534 3.248 ( 1.714 1.909 -3.030) 3.970 3.275 ( 0.239 -1.456 -0.935) 1.747 3.388 ( 0.314 -1.161 -4.603) 4.758 3.401 ( 1.276 1.291 -1.642) 2.448 3.533 ( -1.426 3.994 0.685) 4.296 3.583 ( 1.412 2.990 -1.215) 3.523 3.604 ( 0.396 -7.796 4.700) 9.112 3.684 ( -1.261 -6.914 -4.580) 8.388 3.710 ( -2.714 -1.818 1.209) 3.483 3.872 ( 4.454 1.263 -1.661) 4.918 3.977 ( 0.513 -0.279 2.675) 2.738 4.075 ( 1.084 2.200 -3.604) 4.359 4.106 ( -2.801 -2.097 -1.627) 3.859 4.160 ( -2.656 1.001 1.840) 3.383 4.215 ( 0.768 0.317 5.716) 5.776 4.249 ( 1.389 1.024 0.992) 1.991 4.432 ( -2.204 3.039 4.959) 6.219 4.687 ( 7.114 -1.427 -3.402) 8.014 4.745 ( -0.010 -6.184 6.567) 9.020 4.843 ( -2.297 -2.527 0.182) 3.420 4.940 ( 1.478 -2.049 0.631) 2.604 5.140 ( -0.954 -3.235 -1.139) 3.560 9.158 ( 0.634 2.313 0.489) 2.447 9.195 ( -1.029 3.907 -0.555) 4.078 9.886 ( 3.139 18.024 10.415) 21.052 11.425 ( -9.506 10.717 -26.735) 30.331 12.531 ( 1.767 -2.080 0.096) 2.731 12.544 ( -1.614 -1.656 -0.446) 2.355 12.681 ( 0.451 1.503 1.145) 1.943 12.755 ( -0.398 1.490 -0.904) 1.788 13.354 ( -0.764 5.517 2.180) 5.981 13.859 ( -2.723 6.427 -15.814) 17.285 15.202 ( -0.174 1.992 0.687) 2.114 15.263 ( 1.059 2.199 0.063) 2.442 17.095 ( -0.775 -0.071 0.107) 0.785 17.160 ( -0.368 1.318 -2.722) 3.047 17.288 ( 0.742 -0.053 0.875) 1.149 17.309 ( -1.577 -0.777 -0.601) 1.858 17.343 ( 0.046 0.015 1.451) 1.451 17.423 ( -0.979 -0.602 -0.497) 1.252 17.768 ( 0.148 -1.798 0.971) 2.049 17.827 ( 0.512 -1.548 -0.531) 1.715 19.725 ( -1.633 2.206 4.722) 5.462 20.488 ( -0.413 -0.605 -13.600) 13.620 20.606 ( -4.119 -2.420 -0.410) 4.794 20.746 ( -2.088 1.074 -7.518) 7.876 27.142 ( -1.127 -0.399 0.209) 1.214 27.151 ( 0.904 -0.772 -0.033) 1.189 27.593 ( 0.017 0.600 0.290) 0.667 27.657 ( -0.319 0.218 -1.966) 2.004 30.501 ( -0.212 -1.752 2.438) 3.010 30.713 ( 0.834 -3.206 -2.152) 3.950 33.195 ( -0.930 0.247 3.543) 3.671 33.414 ( -0.315 -5.710 4.152) 7.068 33.702 ( -1.468 1.460 2.064) 2.923 34.105 ( 1.142 -3.769 -2.879) 4.879 34.270 ( 2.570 4.000 -0.119) 4.756 34.397 ( -3.117 6.857 -6.136) 9.715 34.757 ( 1.675 5.779 9.129) 10.934 35.326 ( 0.979 4.920 -10.764) 11.876 35.808 ( -3.872 -2.648 9.292) 10.409 36.195 ( -0.188 -2.995 -3.485) 4.599 39.475 ( -5.992 15.749 21.740) 27.506 41.910 ( 0.277 10.366 -46.513) 47.655 46.183 ( -0.225 2.246 0.583) 2.332 46.319 ( -0.121 3.092 -4.533) 5.489 ======================= Grid point 105 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 8.803 0.000 19.628) 21.512 1.044 ( 12.640 0.000 16.206) 20.553 1.394 ( -0.490 -0.000 -1.857) 1.921 1.414 ( -3.149 -0.000 -17.190) 17.476 1.759 ( -0.998 -0.000 -15.105) 15.138 1.817 ( 21.233 0.000 25.606) 33.264 2.303 ( -6.980 -0.000 -6.224) 9.352 2.345 ( -5.896 -0.000 1.969) 6.216 2.372 ( 0.698 0.000 0.068) 0.701 2.391 ( 0.205 0.000 -0.043) 0.209 2.481 ( -3.502 -0.000 -1.116) 3.676 2.600 ( -2.496 -0.000 2.256) 3.365 2.608 ( 0.471 0.000 4.522) 4.547 2.931 ( 0.107 0.000 -8.202) 8.203 2.988 ( 1.837 0.000 -1.081) 2.132 2.998 ( 1.544 0.000 -4.447) 4.708 3.019 ( 0.031 0.000 -0.203) 0.206 3.083 ( 3.754 0.000 -5.066) 6.305 3.238 ( 1.745 0.000 -6.905) 7.122 3.274 ( 1.810 0.000 1.634) 2.439 3.398 ( 3.337 0.000 -5.288) 6.253 3.410 ( -7.513 -0.000 -6.532) 9.956 3.465 ( -0.109 -0.000 0.153) 0.188 3.472 ( 1.392 0.000 -0.766) 1.589 3.601 ( -5.668 -0.000 -2.980) 6.403 3.679 ( 0.660 0.000 3.301) 3.367 3.814 ( 2.742 0.000 -1.648) 3.199 3.960 ( -4.031 -0.000 0.930) 4.137 3.966 ( -1.418 -0.000 -2.143) 2.570 4.056 ( 1.680 0.000 -2.265) 2.820 4.067 ( -1.482 -0.000 4.274) 4.524 4.166 ( -4.586 -0.000 -1.010) 4.696 4.239 ( 0.500 0.000 4.029) 4.060 4.306 ( -12.498 -0.000 9.972) 15.989 4.476 ( -1.678 -0.000 -4.088) 4.419 4.487 ( 6.046 0.000 -2.728) 6.633 4.758 ( -7.578 -0.000 2.764) 8.066 4.824 ( -2.494 -0.000 3.187) 4.047 4.971 ( -8.154 -0.000 4.356) 9.244 5.022 ( -3.911 -0.000 4.395) 5.883 9.195 ( 5.200 0.000 -0.169) 5.203 9.201 ( 5.075 0.000 0.082) 5.076 10.796 ( 51.652 0.000 27.805) 58.661 11.739 ( 33.907 0.000 -33.771) 47.856 12.456 ( -3.476 -0.000 0.155) 3.479 12.546 ( -3.326 -0.000 -0.251) 3.336 12.748 ( 3.095 0.000 0.799) 3.196 12.774 ( 3.543 0.000 -0.831) 3.639 13.864 ( 36.371 0.000 10.994) 37.997 14.966 ( 81.732 0.000 -70.892) 108.193 15.220 ( 11.287 0.000 -6.482) 13.016 15.248 ( 2.346 0.000 -0.099) 2.348 17.075 ( -0.902 -0.000 -0.823) 1.220 17.145 ( 0.253 0.000 0.596) 0.647 17.229 ( -3.270 -0.000 2.291) 3.993 17.276 ( -0.421 -0.000 -0.725) 0.839 17.323 ( 1.107 0.000 0.700) 1.310 17.428 ( 0.092 0.000 0.760) 0.766 17.720 ( -5.607 -0.000 -0.844) 5.670 17.819 ( -2.415 -0.000 -0.990) 2.610 19.997 ( 13.927 0.000 9.867) 17.068 20.454 ( 35.195 0.000 -34.590) 49.348 20.594 ( -1.289 -0.000 0.599) 1.422 20.945 ( 37.062 0.000 -22.384) 43.297 27.093 ( -2.700 -0.000 -0.278) 2.715 27.170 ( -1.291 -0.000 0.612) 1.429 27.590 ( 1.400 0.000 -0.926) 1.679 27.590 ( 0.284 0.000 0.142) 0.317 30.487 ( -3.500 -0.000 2.727) 4.437 30.783 ( 0.283 0.000 -2.411) 2.428 33.183 ( -2.099 -0.000 5.865) 6.229 33.564 ( -0.291 -0.000 -3.194) 3.207 33.725 ( -7.962 -0.000 11.326) 13.844 34.071 ( 3.334 0.000 -0.660) 3.399 34.095 ( -5.762 -0.000 2.790) 6.402 34.262 ( 1.925 0.000 -0.648) 2.031 34.563 ( -5.937 -0.000 8.714) 10.544 34.877 ( 2.534 0.000 0.505) 2.584 35.638 ( -8.154 -0.000 8.059) 11.465 36.087 ( -5.858 -0.000 0.342) 5.868 38.984 ( -9.311 -0.000 17.793) 20.082 40.199 ( -0.414 -0.000 -2.948) 2.977 46.205 ( 1.847 0.000 0.347) 1.879 46.248 ( 4.277 0.000 -3.621) 5.604 ======================= Grid point 106 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 12.683 4.191 7.297) 15.221 1.216 ( 14.905 -2.334 7.514) 16.854 1.397 ( 1.255 0.132 1.686) 2.106 1.508 ( 0.891 -4.020 -6.452) 7.654 1.799 ( -3.107 -12.865 -12.870) 18.461 2.022 ( 6.189 -4.434 7.413) 10.627 2.153 ( -9.889 1.226 -5.039) 11.167 2.352 ( 4.872 5.405 0.644) 7.305 2.394 ( -2.415 -2.028 3.209) 4.499 2.474 ( -3.750 -0.177 1.931) 4.222 2.519 ( 2.907 -12.812 8.076) 15.421 2.616 ( 1.135 -3.519 4.058) 5.490 2.668 ( 0.676 -2.682 -0.517) 2.813 2.877 ( 1.484 2.758 -7.029) 7.695 2.912 ( -6.234 2.839 -0.078) 6.851 2.988 ( 2.495 2.603 -0.928) 3.723 3.048 ( -0.469 -2.388 -1.778) 3.014 3.104 ( 2.963 -0.237 -6.175) 6.853 3.205 ( 1.344 2.091 -1.679) 2.999 3.306 ( -4.394 3.702 -4.367) 7.217 3.380 ( 1.895 -4.696 -0.906) 5.144 3.397 ( 2.743 0.074 -1.562) 3.157 3.457 ( -1.595 2.492 -1.488) 3.312 3.502 ( -1.156 -1.789 -3.645) 4.222 3.560 ( 0.584 -2.895 -2.390) 3.799 3.707 ( -0.295 0.471 0.557) 0.787 3.763 ( 1.136 6.396 1.764) 6.731 3.879 ( -0.004 1.190 -2.109) 2.422 3.969 ( -1.611 1.888 -0.549) 2.542 4.039 ( -3.915 -1.119 1.368) 4.296 4.117 ( -0.611 -1.415 -0.137) 1.548 4.178 ( -3.223 1.425 6.562) 7.448 4.219 ( -3.928 1.940 4.961) 6.618 4.231 ( -2.358 -7.044 -0.657) 7.457 4.417 ( -0.203 1.019 -0.612) 1.206 4.627 ( 0.049 -2.072 -1.311) 2.452 4.688 ( -0.490 2.323 0.652) 2.462 4.730 ( -8.375 -0.373 2.323) 8.699 4.897 ( -6.474 2.170 4.354) 8.098 5.141 ( -2.281 -6.563 -0.910) 7.008 9.205 ( 5.317 0.963 0.240) 5.409 9.292 ( 4.523 -3.125 0.066) 5.498 10.838 ( 55.999 27.803 10.103) 63.332 11.867 ( 8.275 1.219 -11.052) 13.861 12.430 ( -2.634 0.212 0.287) 2.658 12.528 ( -3.251 -0.608 -0.432) 3.335 12.750 ( 3.368 1.572 0.270) 3.726 12.808 ( 2.014 -0.781 -0.390) 2.195 13.903 ( 41.000 20.435 4.845) 46.066 15.163 ( 17.097 4.753 -11.652) 21.229 15.218 ( 2.044 -0.937 0.341) 2.274 15.549 ( 32.761 -1.403 -23.387) 40.277 17.070 ( -0.248 -0.143 -1.157) 1.192 17.130 ( 0.201 0.485 0.466) 0.702 17.233 ( -2.024 -0.844 0.460) 2.240 17.276 ( -0.012 -0.024 -0.358) 0.359 17.336 ( 0.920 -0.308 0.554) 1.117 17.427 ( -1.075 -0.052 0.431) 1.160 17.656 ( -5.270 2.110 -1.454) 5.860 17.785 ( -3.042 0.347 -0.265) 3.073 20.082 ( 18.212 3.104 3.864) 18.875 20.573 ( -1.632 1.065 0.558) 2.027 20.665 ( 5.378 -4.775 -5.863) 9.279 21.201 ( 40.374 6.356 -32.964) 52.508 27.068 ( -1.293 0.260 -0.481) 1.403 27.179 ( -1.250 -1.482 0.452) 1.991 27.593 ( 0.886 -0.112 0.039) 0.894 27.619 ( 0.278 -1.434 -1.303) 1.958 30.474 ( -2.437 -0.242 1.402) 2.822 30.763 ( -0.003 1.800 -2.176) 2.824 33.170 ( -2.311 0.550 5.904) 6.364 33.533 ( -0.807 3.665 -0.479) 3.783 33.674 ( -1.418 -0.785 8.021) 8.183 34.057 ( -3.041 -2.289 1.640) 4.144 34.212 ( 2.861 -3.986 -2.595) 5.551 34.360 ( 0.438 -8.495 -2.588) 8.892 34.636 ( -5.102 -8.371 5.274) 11.132 34.922 ( -0.654 -3.962 -0.853) 4.105 35.597 ( -5.139 0.344 6.011) 7.916 36.049 ( -6.428 -0.896 -0.577) 6.516 39.100 ( -5.584 -13.904 17.123) 22.753 40.514 ( -7.637 -29.288 -12.006) 32.562 46.225 ( 2.527 -0.593 0.084) 2.597 46.290 ( 2.102 -1.756 -2.534) 3.732 ======================= Grid point 107 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 20.425 -9.775 1.580) 22.698 1.377 ( 13.826 -3.230 3.422) 14.605 1.386 ( 3.244 1.721 1.941) 4.154 1.600 ( 0.784 -6.464 0.192) 6.515 2.002 ( -3.919 -9.031 -7.889) 12.616 2.093 ( -5.909 -2.679 -7.820) 10.161 2.162 ( -2.778 -6.471 -2.385) 7.436 2.316 ( -0.536 0.861 3.094) 3.256 2.403 ( -0.819 -1.329 2.388) 2.853 2.449 ( -2.759 -2.609 3.310) 5.037 2.674 ( 2.240 1.275 1.758) 3.120 2.751 ( 1.990 -6.279 -4.931) 8.229 2.768 ( 1.517 -0.851 2.620) 3.145 2.850 ( -0.015 -1.959 -1.447) 2.436 2.872 ( 0.150 -3.038 -3.473) 4.617 2.958 ( -0.534 0.967 1.791) 2.104 3.046 ( -2.540 1.182 -0.910) 2.945 3.109 ( -0.464 0.329 -2.339) 2.407 3.189 ( 2.401 1.452 1.510) 3.187 3.223 ( 0.993 0.279 0.061) 1.033 3.333 ( -1.213 3.981 -1.891) 4.572 3.391 ( 0.374 2.034 -1.641) 2.640 3.465 ( 0.572 -0.475 1.512) 1.685 3.545 ( 1.702 3.106 -4.350) 5.610 3.600 ( -1.263 0.709 -2.152) 2.594 3.635 ( -1.977 2.146 0.133) 2.921 3.695 ( 2.812 -3.584 -0.356) 4.570 3.874 ( -1.268 0.185 -1.613) 2.060 3.996 ( 4.681 -1.212 4.591) 6.668 4.004 ( -7.120 4.972 0.908) 8.731 4.067 ( -1.689 -3.344 -0.933) 3.860 4.184 ( -2.890 -1.674 6.779) 7.557 4.247 ( 0.095 -4.196 1.127) 4.346 4.307 ( -2.016 -1.394 -1.584) 2.918 4.440 ( -0.723 -3.612 1.148) 3.858 4.531 ( -1.192 4.454 -1.308) 4.793 4.625 ( -9.615 2.716 7.620) 12.565 4.784 ( -3.625 0.007 0.792) 3.710 4.841 ( -2.054 -4.916 -2.711) 5.978 5.185 ( -0.492 0.009 -3.004) 3.044 9.235 ( 5.484 0.376 0.390) 5.511 9.372 ( 1.870 -2.274 0.460) 2.980 10.786 ( 57.477 22.437 0.967) 61.708 11.807 ( -2.229 5.086 -2.991) 6.307 12.412 ( -1.169 0.177 0.263) 1.211 12.514 ( -3.352 -0.605 -0.465) 3.438 12.746 ( 3.715 1.659 0.029) 4.069 12.827 ( 0.354 -0.316 -0.150) 0.498 13.846 ( 36.671 15.704 1.424) 39.917 15.131 ( 8.408 7.297 -6.404) 12.844 15.264 ( 1.601 -1.571 -0.035) 2.243 15.564 ( 4.047 9.702 -5.310) 11.777 17.076 ( -0.925 -1.274 -0.329) 1.609 17.140 ( 0.532 -0.569 -0.547) 0.952 17.199 ( -5.084 0.655 0.361) 5.138 17.286 ( 1.725 -0.107 0.709) 1.868 17.347 ( 0.803 -0.110 0.157) 0.826 17.409 ( -2.581 0.569 -0.256) 2.656 17.594 ( 0.116 1.072 -1.157) 1.581 17.770 ( -3.316 -1.040 0.133) 3.478 20.147 ( 18.670 5.817 1.019) 19.582 20.532 ( -2.486 1.509 0.551) 2.959 20.719 ( 3.994 1.508 -0.308) 4.281 21.070 ( 7.735 18.584 -12.809) 23.859 27.075 ( 1.520 -0.846 -0.458) 1.799 27.197 ( -1.106 -0.960 0.269) 1.489 27.601 ( 0.496 -0.038 0.349) 0.608 27.640 ( -0.021 -0.993 -1.032) 1.432 30.453 ( -0.111 1.565 0.230) 1.586 30.708 ( -1.181 2.897 -1.528) 3.482 33.155 ( -2.078 0.121 4.889) 5.313 33.446 ( -0.085 4.482 1.055) 4.606 33.714 ( 0.345 -1.564 3.284) 3.654 34.081 ( -0.704 -0.868 0.329) 1.165 34.316 ( 2.711 -4.261 -4.162) 6.544 34.476 ( 0.367 -3.716 -0.541) 3.773 34.789 ( -0.230 -8.697 2.938) 9.183 35.031 ( -5.669 -9.746 -2.817) 11.621 35.571 ( -3.213 -0.034 4.886) 5.848 36.029 ( -4.761 -1.700 -1.105) 5.175 39.437 ( -4.537 -19.577 17.993) 26.974 41.002 ( -7.143 -27.980 -18.259) 34.166 46.262 ( 2.808 -0.883 -0.061) 2.944 46.331 ( 0.027 -2.077 -1.540) 2.586 ======================= Grid point 108 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 11.890 4.571 -0.990) 12.777 1.490 ( 4.980 -5.979 6.105) 9.890 1.653 ( 15.133 -10.389 -6.766) 19.564 1.701 ( -5.384 -5.128 4.460) 8.670 2.065 ( -2.299 -0.550 -3.009) 3.827 2.122 ( -4.346 3.946 0.104) 5.871 2.165 ( 5.106 -8.605 -5.998) 11.666 2.363 ( -4.042 -5.420 0.024) 6.761 2.454 ( 1.192 -0.069 0.720) 1.394 2.553 ( 1.506 -3.500 -5.733) 6.883 2.629 ( -0.770 5.098 -3.238) 6.088 2.669 ( -2.118 -3.564 2.731) 4.965 2.852 ( -5.292 1.183 -2.598) 6.013 2.869 ( 1.495 2.380 -2.253) 3.602 2.905 ( 5.128 -0.309 -8.753) 10.149 2.958 ( 0.880 0.890 2.441) 2.743 3.019 ( -3.773 -5.739 -4.548) 8.238 3.101 ( -0.829 -0.197 5.449) 5.516 3.206 ( 2.686 2.669 1.270) 3.994 3.251 ( 0.865 -1.454 0.897) 1.915 3.280 ( 1.095 1.429 1.072) 2.096 3.339 ( -1.051 0.948 3.777) 4.034 3.460 ( -0.501 2.361 -4.080) 4.741 3.472 ( 1.363 0.321 0.356) 1.445 3.578 ( 0.199 -1.224 -1.389) 1.862 3.602 ( -5.987 1.906 3.705) 7.294 3.795 ( 3.443 -0.718 -1.861) 3.979 3.813 ( -0.765 4.218 2.216) 4.826 3.928 ( 0.360 -1.807 -0.023) 1.843 4.064 ( -0.291 -1.041 2.883) 3.079 4.140 ( -0.308 -4.545 -2.537) 5.215 4.186 ( -1.493 -0.542 2.551) 3.006 4.300 ( -4.586 -2.082 1.501) 5.256 4.324 ( 0.400 -0.721 1.765) 1.948 4.451 ( -4.089 -0.324 -2.234) 4.671 4.487 ( -5.682 3.442 6.383) 9.213 4.543 ( -0.620 -3.797 3.832) 5.430 4.761 ( -3.382 -1.117 -0.963) 3.690 4.931 ( 0.980 -3.594 -3.003) 4.785 5.153 ( 0.023 1.946 -2.590) 3.240 9.268 ( 5.520 0.738 0.281) 5.576 9.402 ( -1.835 -0.738 0.331) 2.005 10.803 ( 51.783 19.652 -0.449) 55.389 11.657 ( -9.786 4.491 -1.027) 10.816 12.409 ( 0.546 -0.155 0.143) 0.585 12.499 ( -3.464 -0.607 -0.364) 3.536 12.744 ( 3.916 1.508 -0.019) 4.196 12.826 ( -1.170 0.082 -0.056) 1.174 13.839 ( 32.804 12.706 0.045) 35.178 14.871 ( -13.920 18.051 -5.977) 23.566 15.293 ( -0.337 -0.738 0.465) 0.935 15.385 ( -5.548 3.242 1.077) 6.516 17.105 ( -0.557 -1.708 0.310) 1.823 17.136 ( -2.549 -1.406 0.089) 2.912 17.195 ( -0.982 -1.834 0.269) 2.098 17.296 ( 0.972 0.384 0.214) 1.067 17.349 ( -0.070 0.615 -0.216) 0.656 17.378 ( -1.292 0.411 -0.373) 1.406 17.611 ( 4.679 -0.676 -0.396) 4.744 17.769 ( -3.510 -1.307 0.253) 3.754 20.117 ( 15.352 11.260 1.952) 19.139 20.474 ( -5.259 2.042 -0.261) 5.647 20.662 ( -0.292 7.570 -0.035) 7.576 20.760 ( -2.694 7.055 -2.831) 8.065 27.108 ( 2.746 -0.593 -0.116) 2.812 27.197 ( -1.361 -0.006 0.146) 1.369 27.604 ( -0.089 -0.125 0.645) 0.663 27.655 ( 0.317 -0.540 -0.744) 0.972 30.423 ( 1.823 1.852 0.292) 2.615 30.637 ( -2.323 2.469 -1.278) 3.623 33.156 ( -1.531 -0.840 3.774) 4.159 33.364 ( 0.313 4.165 0.407) 4.196 33.748 ( -0.030 -1.728 1.667) 2.402 34.058 ( 1.565 3.899 -2.776) 5.036 34.363 ( 1.751 -0.862 -3.547) 4.048 34.552 ( -3.320 -4.465 2.606) 6.144 34.972 ( 5.794 -6.485 1.754) 8.871 35.173 ( -5.695 -9.512 -4.037) 11.799 35.572 ( -1.620 -1.213 5.314) 5.686 36.040 ( -2.770 -2.423 -1.365) 3.926 39.786 ( -4.555 -15.319 17.989) 24.063 41.403 ( -0.420 -19.698 -19.096) 27.438 46.291 ( 1.721 -0.105 0.202) 1.736 46.367 ( -0.309 -1.923 -1.450) 2.428 ======================= Grid point 109 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 11.766 8.143 -2.729) 14.567 1.593 ( -5.515 1.353 -2.910) 6.381 1.686 ( -3.544 -0.112 1.657) 3.914 1.834 ( 1.637 -5.659 3.282) 6.744 2.011 ( 0.132 3.740 -1.835) 4.168 2.153 ( 4.108 -3.153 -4.454) 6.830 2.310 ( 4.002 8.458 -3.348) 9.938 2.363 ( 0.553 1.313 -4.901) 5.104 2.427 ( 0.724 -3.613 -3.326) 4.964 2.530 ( 2.310 -4.300 -0.191) 4.885 2.642 ( 4.128 2.206 -1.377) 4.878 2.755 ( -5.649 -4.109 -0.704) 7.021 2.777 ( -1.601 1.490 -4.599) 5.093 2.878 ( 3.293 -6.077 -3.776) 7.876 2.910 ( -0.532 0.125 5.137) 5.166 2.975 ( 2.409 -0.795 -2.947) 3.888 3.027 ( -5.699 2.380 -4.197) 7.467 3.140 ( -0.990 -4.269 -1.390) 4.598 3.167 ( 0.419 0.247 2.490) 2.537 3.295 ( 3.161 -0.459 -0.420) 3.222 3.318 ( 0.180 -1.494 1.469) 2.103 3.333 ( -3.105 -1.723 2.781) 4.510 3.432 ( -0.145 1.586 4.517) 4.790 3.471 ( 1.758 1.273 -1.083) 2.426 3.509 ( -3.422 0.356 4.643) 5.779 3.615 ( -0.066 -2.428 1.146) 2.685 3.738 ( 3.374 4.998 0.416) 6.045 3.809 ( -0.346 0.769 -1.327) 1.572 3.977 ( 1.831 -2.553 0.015) 3.142 4.055 ( -4.664 -0.894 2.432) 5.335 4.192 ( 2.482 -1.279 -2.729) 3.904 4.212 ( 0.096 1.407 -0.153) 1.419 4.293 ( -3.441 -1.984 2.705) 4.805 4.309 ( -2.549 0.663 0.569) 2.694 4.432 ( -5.117 -0.866 1.739) 5.473 4.461 ( 1.922 -0.207 1.023) 2.187 4.632 ( -3.294 -5.573 3.282) 7.258 4.756 ( -0.623 -0.261 0.103) 0.683 4.980 ( 2.221 -0.550 -1.681) 2.839 5.116 ( -0.551 1.092 -1.959) 2.309 9.284 ( 4.780 1.893 0.272) 5.148 9.377 ( -4.111 0.770 -0.350) 4.197 10.753 ( 34.741 20.483 4.540) 40.584 11.524 ( -11.575 -0.501 -4.079) 12.283 12.427 ( 1.958 -0.721 0.075) 2.088 12.486 ( -3.281 -0.797 -0.302) 3.390 12.745 ( 3.312 1.331 0.269) 3.580 12.809 ( -1.921 0.276 -0.229) 1.955 13.829 ( 29.761 13.254 -0.443) 32.582 14.337 ( -33.555 13.251 -3.020) 36.203 15.288 ( -1.555 0.382 1.276) 2.048 15.346 ( -0.476 0.312 -0.234) 0.615 17.118 ( -0.529 -0.392 0.862) 1.085 17.183 ( -0.419 -3.331 -0.494) 3.393 17.226 ( -0.405 -1.731 0.088) 1.780 17.287 ( -0.361 0.501 -0.850) 1.051 17.324 ( -0.369 1.178 0.567) 1.359 17.377 ( 0.008 -0.426 -0.259) 0.499 17.673 ( 6.231 -1.190 0.058) 6.344 17.764 ( -4.153 -1.088 0.339) 4.307 19.966 ( 4.508 11.017 4.650) 12.779 20.380 ( -4.651 1.712 -3.197) 5.898 20.552 ( -0.948 1.922 1.222) 2.467 20.703 ( 0.507 0.816 -1.934) 2.159 27.131 ( 2.475 0.225 0.102) 2.488 27.178 ( -1.844 0.655 0.057) 1.957 27.607 ( -0.158 -0.181 0.675) 0.716 27.662 ( 0.244 -0.051 -0.567) 0.619 30.416 ( 2.023 0.508 1.018) 2.321 30.588 ( -1.883 0.366 -1.514) 2.444 33.181 ( -0.867 -2.113 2.939) 3.722 33.292 ( -0.040 3.388 0.626) 3.446 33.800 ( 0.279 -3.577 -0.137) 3.590 33.953 ( 0.833 6.457 -3.510) 7.397 34.392 ( 2.388 -0.502 -0.147) 2.445 34.584 ( -4.442 -1.598 0.341) 4.733 35.074 ( 2.138 0.035 1.861) 2.834 35.301 ( 0.068 -6.371 -5.705) 8.553 35.622 ( 0.256 -3.388 7.447) 8.186 36.068 ( -1.800 -2.327 -1.912) 3.509 39.992 ( -4.392 -5.565 17.724) 19.089 41.691 ( 4.286 -12.280 -19.690) 23.598 46.292 ( 0.333 0.802 0.513) 1.009 46.390 ( 0.169 -0.757 -1.843) 1.999 ======================= Grid point 110 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 12.428 15.057 -5.185) 20.201 1.364 ( -15.630 7.899 1.335) 17.564 1.709 ( -1.173 0.980 1.092) 1.878 1.839 ( -6.260 8.172 -2.581) 10.613 1.972 ( 4.606 1.762 -3.197) 5.877 2.111 ( 7.857 5.216 -3.090) 9.924 2.227 ( 3.736 -3.840 0.044) 5.357 2.316 ( -4.521 2.191 -2.229) 5.496 2.517 ( 6.353 1.444 -4.023) 7.657 2.569 ( 3.393 -0.024 -6.374) 7.220 2.674 ( -0.403 0.183 -7.247) 7.260 2.751 ( 1.863 0.380 3.866) 4.308 2.808 ( -2.672 -1.807 -3.978) 5.122 2.864 ( 0.852 1.915 -0.356) 2.126 2.904 ( -7.400 -2.142 2.818) 8.203 3.044 ( -2.081 -5.547 2.718) 6.518 3.069 ( -1.366 -5.464 -0.162) 5.634 3.170 ( 1.052 0.170 -1.537) 1.870 3.216 ( 0.047 -1.740 -1.337) 2.195 3.241 ( -1.114 1.109 -0.374) 1.616 3.275 ( -1.404 1.767 1.451) 2.683 3.383 ( 1.815 -1.512 2.170) 3.208 3.458 ( -0.400 -2.258 2.517) 3.405 3.519 ( 0.378 -3.468 4.021) 5.324 3.552 ( 2.357 -1.924 0.201) 3.049 3.670 ( 0.632 0.849 -0.320) 1.106 3.706 ( 5.900 -3.206 1.129) 6.809 3.754 ( -3.012 2.205 1.467) 4.011 3.992 ( -0.628 0.615 -1.638) 1.859 4.095 ( 0.942 -1.161 0.577) 1.602 4.152 ( -2.071 2.022 -0.457) 2.930 4.229 ( 3.528 0.297 -2.716) 4.462 4.259 ( -1.912 1.876 5.178) 5.830 4.316 ( -0.720 -0.011 -0.208) 0.750 4.410 ( -2.646 -1.665 2.286) 3.873 4.484 ( 1.398 -0.497 -1.718) 2.270 4.701 ( -6.296 -4.320 1.905) 7.870 4.778 ( 3.296 -0.507 2.423) 4.122 4.979 ( 1.977 1.812 -0.137) 2.685 5.099 ( -0.109 0.006 -2.831) 2.833 9.259 ( 0.092 2.667 0.562) 2.727 9.327 ( -0.058 2.283 -0.951) 2.473 10.531 ( -0.855 17.416 11.408) 20.838 11.494 ( -0.170 -1.884 -9.871) 10.050 12.463 ( 0.652 -1.405 0.141) 1.555 12.485 ( -0.599 -1.114 -0.459) 1.345 12.734 ( 0.012 1.340 0.834) 1.578 12.793 ( 0.025 0.464 -0.628) 0.781 13.696 ( -1.143 13.231 1.835) 13.406 14.012 ( 2.192 4.487 -5.657) 7.546 15.266 ( -1.144 1.007 1.085) 1.871 15.335 ( 0.727 1.074 -0.211) 1.314 17.115 ( -0.403 0.497 0.645) 0.909 17.214 ( 0.120 0.388 -2.119) 2.158 17.255 ( -0.615 -1.664 -0.129) 1.779 17.286 ( 0.494 -0.775 -0.775) 1.202 17.313 ( -0.239 -0.298 1.959) 1.996 17.388 ( -0.445 -0.845 -0.314) 1.006 17.730 ( 1.379 -0.295 0.673) 1.562 17.761 ( -0.868 -1.797 -0.024) 1.996 19.826 ( -1.585 5.103 5.712) 7.821 20.363 ( 1.828 -1.915 -5.799) 6.374 20.538 ( -0.816 -0.387 1.592) 1.830 20.703 ( -0.271 -0.981 -2.693) 2.878 27.140 ( 0.197 0.225 0.186) 0.352 27.150 ( -0.263 0.822 -0.012) 0.863 27.609 ( -0.098 0.073 0.551) 0.564 27.660 ( 0.057 0.165 -0.623) 0.647 30.433 ( -0.035 -1.069 1.755) 2.055 30.595 ( 0.255 -1.996 -1.816) 2.711 33.236 ( -0.068 -3.390 2.529) 4.230 33.237 ( -0.841 2.071 1.535) 2.711 33.832 ( 0.391 5.431 -2.021) 5.808 33.893 ( 0.443 -5.634 -1.948) 5.978 34.402 ( 2.625 1.771 1.292) 3.420 34.555 ( -3.034 1.408 -2.390) 4.111 35.028 ( -0.934 4.890 3.733) 6.222 35.376 ( 1.922 -1.755 -6.918) 7.391 35.716 ( 0.453 -3.484 8.335) 9.045 36.093 ( -1.475 -2.119 -2.621) 3.679 39.990 ( -4.217 5.667 18.493) 19.796 41.874 ( 4.279 -7.047 -23.179) 24.602 46.269 ( -0.172 1.705 0.661) 1.837 46.390 ( 0.487 0.671 -2.427) 2.564 ======================= Grid point 111 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 9.856 17.648 -6.334) 21.183 1.138 ( -8.084 5.671 4.198) 10.730 1.532 ( -6.189 13.627 2.187) 15.125 1.645 ( 0.462 4.110 0.143) 4.138 2.007 ( 10.571 3.216 3.797) 11.683 2.113 ( 4.042 -0.381 -5.192) 6.592 2.189 ( -2.047 6.895 -9.252) 11.719 2.374 ( 1.795 -5.694 0.630) 6.004 2.485 ( -3.727 6.117 -0.499) 7.181 2.508 ( 4.146 1.532 -6.795) 8.106 2.652 ( 1.180 2.573 3.836) 4.767 2.693 ( -6.397 -1.108 -5.298) 8.379 2.807 ( 0.829 1.275 0.551) 1.617 2.882 ( 0.131 -2.657 0.578) 2.723 2.930 ( -2.514 0.975 1.949) 3.327 3.075 ( -0.482 5.086 -2.236) 5.577 3.124 ( 1.556 -3.827 -2.402) 4.779 3.155 ( -3.302 -3.938 2.260) 5.614 3.221 ( -2.459 -1.334 -0.251) 2.808 3.262 ( -1.346 -1.129 0.294) 1.782 3.322 ( -0.104 -3.823 -2.962) 4.838 3.428 ( 2.238 -0.463 1.389) 2.674 3.500 ( -1.623 -2.767 1.601) 3.585 3.567 ( 0.055 -1.680 1.980) 2.597 3.582 ( 1.792 -0.618 -2.969) 3.522 3.656 ( -3.135 0.532 1.126) 3.373 3.692 ( 3.256 2.163 0.097) 3.910 3.862 ( -2.415 -5.279 1.094) 5.907 3.994 ( 3.337 -0.032 -2.137) 3.962 4.047 ( -2.567 2.548 0.797) 3.704 4.113 ( 0.792 1.899 -4.022) 4.518 4.185 ( -1.361 2.626 0.825) 3.071 4.232 ( -0.617 1.102 5.142) 5.295 4.319 ( 2.154 1.974 2.790) 4.040 4.460 ( -1.462 -1.291 3.978) 4.431 4.561 ( 6.024 -6.686 1.229) 9.083 4.728 ( -5.800 -4.256 1.130) 7.282 4.799 ( 3.631 1.358 -0.554) 3.916 4.955 ( 1.515 1.879 0.398) 2.446 5.113 ( 3.241 -1.453 -3.871) 5.253 9.196 ( -3.095 2.508 0.352) 3.999 9.281 ( 3.560 3.989 -0.571) 5.377 10.091 ( -34.045 16.399 11.288) 39.438 11.543 ( 14.551 0.631 -13.047) 19.553 12.477 ( -3.260 -1.655 -0.099) 3.657 12.532 ( 4.210 -1.708 -0.295) 4.553 12.698 ( -2.996 1.264 0.844) 3.360 12.786 ( 1.975 1.043 -0.583) 2.308 13.443 ( -9.225 6.827 1.467) 11.570 14.067 ( 32.752 4.145 -8.895) 34.190 15.237 ( -0.399 1.526 0.826) 1.781 15.317 ( 2.235 1.759 0.268) 2.857 17.099 ( -0.286 0.809 0.196) 0.880 17.184 ( -0.181 1.719 -2.635) 3.151 17.276 ( -1.224 -1.019 0.098) 1.596 17.299 ( 1.216 -0.047 0.039) 1.217 17.335 ( -0.333 -1.005 1.161) 1.571 17.401 ( -0.649 -1.022 -0.171) 1.223 17.723 ( -4.603 -1.289 0.715) 4.833 17.807 ( 2.190 -1.304 -0.076) 2.550 19.762 ( -1.208 1.738 5.289) 5.697 20.448 ( 7.684 -3.885 -9.034) 12.480 20.552 ( -1.123 -1.291 1.591) 2.336 20.723 ( 0.493 -1.674 -4.322) 4.661 27.117 ( -2.841 0.109 0.010) 2.844 27.161 ( 2.595 -0.116 0.128) 2.601 27.604 ( -0.119 0.431 0.438) 0.626 27.656 ( 0.044 0.132 -1.079) 1.088 30.460 ( -1.714 -2.067 1.980) 3.336 30.652 ( 1.385 -3.208 -1.792) 3.927 33.204 ( -1.298 0.978 2.621) 3.084 33.320 ( 0.189 -4.643 2.806) 5.428 33.745 ( -0.351 3.354 -0.160) 3.376 34.011 ( 1.293 -5.843 -2.854) 6.631 34.373 ( 3.268 3.408 1.654) 5.003 34.472 ( -2.293 4.616 -5.169) 7.299 34.911 ( -0.581 6.875 6.926) 9.776 35.376 ( 1.074 1.674 -8.507) 8.737 35.762 ( -4.158 -0.942 7.965) 9.034 36.125 ( -1.252 -2.731 -2.682) 4.027 39.788 ( -4.589 14.722 20.096) 25.331 41.913 ( -2.275 0.432 -31.041) 31.127 46.230 ( 0.188 2.253 0.638) 2.349 46.364 ( 0.870 1.968 -3.225) 3.877 ======================= Grid point 115 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.944 0.000 11.199) 11.367 1.223 ( 5.072 0.000 0.589) 5.106 1.356 ( 7.510 0.000 -15.267) 17.015 1.416 ( 3.312 0.000 0.667) 3.378 1.697 ( 1.308 0.000 -12.790) 12.856 2.020 ( -9.256 -0.000 -2.445) 9.574 2.202 ( -6.301 -0.000 -5.268) 8.213 2.222 ( -1.178 -0.000 12.890) 12.944 2.448 ( -1.267 -0.000 1.895) 2.279 2.454 ( 1.121 0.000 6.673) 6.767 2.455 ( 10.021 0.000 7.591) 12.572 2.597 ( 4.233 0.000 1.983) 4.674 2.644 ( 2.079 0.000 7.001) 7.303 2.904 ( -0.496 -0.000 -7.290) 7.307 2.978 ( -3.289 0.000 -2.926) 4.402 2.978 ( -3.766 0.000 -2.225) 4.374 3.014 ( 0.470 0.000 1.579) 1.647 3.128 ( 4.696 0.000 -6.651) 8.142 3.232 ( 1.312 0.000 -8.126) 8.231 3.284 ( -1.941 -0.000 2.796) 3.403 3.348 ( 2.134 0.000 -3.827) 4.381 3.426 ( 2.410 0.000 -3.982) 4.654 3.452 ( -6.372 -0.000 -4.375) 7.729 3.473 ( 1.328 0.000 -0.595) 1.456 3.518 ( 1.802 0.000 -1.119) 2.121 3.705 ( 1.565 0.000 1.391) 2.094 3.861 ( 1.132 0.000 0.390) 1.197 3.917 ( -3.014 -0.000 -3.996) 5.005 3.927 ( -0.703 -0.000 2.327) 2.431 4.013 ( -6.891 -0.000 1.779) 7.117 4.090 ( 1.436 0.000 1.961) 2.430 4.106 ( -2.109 -0.000 -1.858) 2.810 4.175 ( -7.188 -0.000 9.892) 12.227 4.233 ( -3.786 -0.000 5.353) 6.556 4.441 ( -0.905 -0.000 -2.928) 3.065 4.542 ( 2.799 0.000 -2.402) 3.689 4.687 ( -3.095 -0.000 0.779) 3.192 4.803 ( -1.957 -0.000 0.323) 1.984 4.884 ( -4.971 -0.000 4.210) 6.514 5.034 ( 2.555 0.000 -1.383) 2.905 9.272 ( 4.768 0.000 -0.327) 4.779 9.276 ( 4.450 0.000 -0.003) 4.450 11.369 ( 16.109 0.000 17.508) 23.791 11.939 ( 9.323 0.000 -12.610) 15.683 12.412 ( -2.371 -0.000 0.450) 2.414 12.500 ( -2.409 -0.000 -0.617) 2.487 12.787 ( 1.762 0.000 0.526) 1.839 12.816 ( 2.354 0.000 -0.781) 2.480 14.520 ( 36.951 0.000 19.326) 41.700 15.214 ( 2.786 0.000 -1.138) 3.010 15.280 ( 1.421 0.000 0.353) 1.464 15.805 ( 46.337 0.000 -42.053) 62.575 17.073 ( 1.651 0.000 -2.502) 2.998 17.153 ( 0.496 0.000 0.716) 0.871 17.204 ( -0.721 -0.000 0.214) 0.752 17.281 ( 1.552 0.000 0.020) 1.553 17.340 ( 0.703 0.000 0.877) 1.124 17.412 ( -2.919 -0.000 -0.399) 2.946 17.628 ( -5.191 -0.000 -1.247) 5.338 17.773 ( -2.988 -0.000 -1.246) 3.237 20.245 ( 11.533 0.000 14.756) 18.729 20.571 ( -1.878 -0.000 0.386) 1.917 20.618 ( 5.641 0.000 -9.334) 10.906 21.634 ( 61.423 0.000 -48.289) 78.132 27.056 ( -1.943 -0.000 0.013) 1.943 27.148 ( -1.677 -0.000 0.487) 1.746 27.595 ( 0.244 0.000 0.096) 0.262 27.611 ( 1.922 0.000 -1.399) 2.378 30.443 ( -3.336 -0.000 2.809) 4.361 30.780 ( 0.663 0.000 -3.048) 3.120 33.172 ( -2.346 -0.000 7.122) 7.499 33.551 ( 0.022 0.000 -2.704) 2.704 33.677 ( -4.364 -0.000 12.776) 13.500 34.025 ( -4.626 -0.000 3.266) 5.662 34.114 ( 2.667 0.000 -1.186) 2.919 34.286 ( 1.441 0.000 -0.618) 1.568 34.536 ( -1.844 -0.000 4.763) 5.107 34.915 ( 2.337 0.000 -1.032) 2.555 35.577 ( -3.674 -0.000 4.934) 6.152 35.985 ( -6.985 -0.000 -1.011) 7.058 38.947 ( -4.163 -0.000 15.318) 15.874 40.166 ( -1.899 -0.000 -4.687) 5.057 46.233 ( 1.398 0.000 0.714) 1.570 46.291 ( 3.035 0.000 -2.670) 4.042 ======================= Grid point 116 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 8.627 -4.909 -2.816) 10.317 1.386 ( 4.386 0.216 -7.458) 8.655 1.429 ( 3.943 -7.309 3.221) 8.908 1.582 ( 5.228 -8.575 4.873) 11.163 1.711 ( 2.874 -4.613 -11.013) 12.282 1.941 ( -12.671 -3.930 -3.367) 13.688 2.051 ( -1.532 2.912 -5.794) 6.663 2.301 ( -7.731 -3.283 2.252) 8.695 2.424 ( -0.663 3.927 1.547) 4.272 2.444 ( 0.976 0.950 5.341) 5.512 2.621 ( -1.370 -7.696 8.488) 11.539 2.673 ( 1.584 -2.294 5.320) 6.006 2.757 ( 8.078 0.109 1.661) 8.247 2.796 ( -1.110 -1.010 3.063) 3.411 2.877 ( -0.058 0.906 -4.326) 4.420 3.012 ( 1.313 0.570 -2.478) 2.862 3.046 ( 0.986 -1.108 -2.248) 2.694 3.127 ( 3.166 1.846 -5.815) 6.874 3.215 ( 0.130 1.611 0.559) 1.710 3.294 ( 0.399 2.110 -1.352) 2.538 3.337 ( -2.980 0.294 -5.445) 6.214 3.416 ( 2.439 -2.646 -1.687) 3.975 3.440 ( 1.459 -0.606 -0.530) 1.666 3.531 ( 1.229 -3.437 -1.114) 3.816 3.553 ( 1.493 -2.087 -2.136) 3.339 3.716 ( 1.793 1.355 -1.220) 2.557 3.760 ( -1.902 7.984 0.567) 8.227 3.875 ( -1.408 0.651 -1.024) 1.859 3.924 ( -7.676 -0.016 1.840) 7.894 3.978 ( 0.922 -2.512 0.522) 2.727 4.089 ( -3.574 1.978 1.173) 4.250 4.149 ( -3.329 -1.076 7.167) 7.975 4.176 ( -2.571 -1.369 -0.577) 2.969 4.227 ( 0.478 -5.535 4.774) 7.325 4.406 ( -0.273 1.090 -1.441) 1.827 4.622 ( -0.495 4.212 -0.907) 4.337 4.643 ( -1.973 -2.786 -2.167) 4.044 4.700 ( -0.272 1.763 1.757) 2.504 4.829 ( -3.947 2.785 3.535) 5.986 5.133 ( 0.901 -4.782 -2.902) 5.666 9.283 ( 4.554 0.611 0.010) 4.595 9.342 ( 1.789 -2.099 -0.029) 2.758 11.397 ( 15.710 8.170 9.990) 20.331 11.915 ( 4.042 5.922 -6.929) 9.971 12.401 ( -1.470 -0.240 0.539) 1.584 12.486 ( -1.900 -0.242 -0.773) 2.065 12.792 ( 1.874 0.692 0.255) 2.014 12.828 ( 0.913 0.092 -0.515) 1.052 14.564 ( 34.746 20.421 12.359) 42.155 15.245 ( 1.255 -1.152 0.097) 1.706 15.264 ( 3.411 2.040 -1.300) 4.181 15.877 ( 19.758 14.976 -20.806) 32.366 17.072 ( 1.387 1.124 -1.775) 2.518 17.139 ( 0.551 0.221 1.129) 1.276 17.195 ( -2.661 1.628 -1.031) 3.285 17.300 ( 2.580 -0.132 0.528) 2.637 17.350 ( 0.597 -0.274 0.629) 0.910 17.384 ( -4.207 -0.307 -1.469) 4.466 17.601 ( -0.744 -0.269 -1.104) 1.358 17.736 ( -3.214 0.500 -0.434) 3.282 20.342 ( 11.242 0.724 7.474) 13.519 20.542 ( -2.405 1.461 0.201) 2.821 20.708 ( 2.408 -4.987 -1.025) 5.632 21.677 ( 38.251 29.032 -31.009) 57.162 27.061 ( 0.658 -1.431 -0.284) 1.600 27.156 ( -1.882 -1.681 0.416) 2.557 27.610 ( 1.018 -0.715 0.031) 1.245 27.618 ( 0.471 0.021 -1.066) 1.166 30.449 ( -1.380 -1.510 1.423) 2.491 30.754 ( 0.089 2.493 -2.787) 3.741 33.159 ( -2.103 0.702 6.735) 7.090 33.519 ( -0.867 3.060 0.122) 3.183 33.689 ( -0.362 -1.946 7.923) 8.167 34.026 ( -2.051 -2.801 2.481) 4.267 34.246 ( 2.680 -5.998 -2.262) 6.948 34.326 ( -2.970 -6.681 -1.167) 7.404 34.624 ( 0.686 -8.203 2.512) 8.607 34.916 ( -0.428 0.080 -0.831) 0.938 35.561 ( -2.299 0.113 4.163) 4.757 35.951 ( -5.476 -1.709 -1.899) 6.042 39.094 ( -3.219 -14.096 16.122) 21.656 40.396 ( -3.075 -23.898 -9.891) 26.046 46.259 ( 1.535 -1.467 0.451) 2.171 46.309 ( 1.583 -0.191 -1.722) 2.347 ======================= Grid point 117 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 7.103 -10.614 -4.606) 13.577 1.397 ( 1.136 -3.824 -3.605) 5.376 1.566 ( 1.496 -6.184 5.265) 8.259 1.649 ( 11.028 3.933 6.853) 13.566 1.945 ( 1.941 -14.148 -6.961) 15.887 1.988 ( -3.362 -5.069 -6.562) 8.947 2.088 ( -5.884 -9.248 -4.707) 11.929 2.233 ( -7.756 3.273 3.983) 9.313 2.373 ( -6.243 -4.750 0.342) 7.852 2.470 ( 3.891 -0.350 -0.516) 3.940 2.671 ( -1.280 0.007 1.212) 1.763 2.724 ( -1.450 -3.107 0.108) 3.430 2.785 ( 0.981 5.353 -6.343) 8.357 2.816 ( -3.229 -4.253 3.338) 6.298 2.935 ( 3.894 0.297 -0.101) 3.907 2.987 ( 5.923 -0.259 -5.639) 8.182 3.043 ( 0.906 3.907 0.844) 4.098 3.109 ( 0.019 -1.088 0.876) 1.397 3.220 ( -2.214 0.303 -2.035) 3.023 3.258 ( 4.440 -0.794 4.990) 6.727 3.331 ( 4.268 0.247 -0.858) 4.361 3.414 ( 0.888 4.983 -0.320) 5.072 3.469 ( -0.220 -0.572 0.728) 0.952 3.561 ( -0.237 1.936 -4.349) 4.766 3.584 ( 0.879 5.396 -0.560) 5.496 3.604 ( 0.577 2.798 1.161) 3.084 3.732 ( -0.376 -4.934 -0.404) 4.965 3.861 ( -0.447 0.335 -1.902) 1.983 3.912 ( -2.325 -1.869 0.605) 3.043 3.988 ( -7.672 -3.680 1.313) 8.609 4.072 ( 2.821 -0.638 4.234) 5.128 4.158 ( -3.235 -1.549 5.177) 6.298 4.224 ( -2.193 -2.573 -1.207) 3.589 4.301 ( 0.567 -1.624 1.492) 2.277 4.414 ( -2.278 -1.305 -0.903) 2.776 4.522 ( 0.749 3.751 -1.291) 4.037 4.554 ( -2.962 3.605 4.818) 6.707 4.753 ( -1.370 2.006 2.232) 3.299 4.828 ( 0.951 -7.043 -2.076) 7.404 5.174 ( 0.190 0.081 -3.600) 3.606 9.313 ( 4.369 -0.074 0.259) 4.377 9.372 ( -1.941 -0.958 0.280) 2.183 11.391 ( 19.750 7.004 3.260) 21.208 11.741 ( -3.013 12.039 -3.306) 12.843 12.403 ( -0.394 -0.598 0.510) 0.879 12.475 ( -1.334 -0.017 -0.832) 1.573 12.793 ( 2.405 0.835 0.037) 2.546 12.822 ( -0.947 0.514 -0.154) 1.088 14.438 ( 29.486 18.081 5.918) 35.091 15.200 ( 5.545 14.050 -4.953) 15.896 15.274 ( -0.176 -0.830 -0.277) 0.892 15.471 ( -9.472 19.962 -6.811) 23.122 17.065 ( 0.170 -0.675 -0.129) 0.708 17.127 ( -2.345 1.576 0.042) 2.826 17.162 ( 0.575 -1.382 0.737) 1.669 17.310 ( 0.470 0.517 -0.199) 0.726 17.357 ( 0.072 0.196 -0.351) 0.408 17.365 ( -1.542 -0.524 -0.722) 1.781 17.628 ( 4.099 -1.028 -0.544) 4.261 17.716 ( -3.823 -1.010 0.191) 3.959 20.402 ( 11.377 2.875 1.734) 11.862 20.474 ( -5.321 3.039 0.065) 6.128 20.778 ( 1.361 0.075 0.366) 1.411 21.126 ( 10.267 35.975 -8.407) 38.344 27.109 ( 2.946 -1.583 -0.254) 3.354 27.172 ( -2.143 -1.262 0.287) 2.503 27.608 ( 0.166 0.541 0.152) 0.586 27.640 ( 0.486 -1.213 -0.502) 1.400 30.462 ( 1.037 0.426 0.384) 1.185 30.681 ( -1.242 3.761 -2.158) 4.510 33.146 ( -1.552 0.174 5.244) 5.471 33.445 ( -0.421 3.897 0.723) 3.986 33.731 ( 0.081 -0.884 3.766) 3.869 34.077 ( -0.051 -2.138 0.750) 2.266 34.345 ( 2.447 -3.059 -3.173) 5.041 34.433 ( -3.785 -5.223 -2.266) 6.837 34.851 ( 6.735 -11.128 1.743) 13.123 34.948 ( -5.397 -6.481 0.569) 8.454 35.557 ( -1.027 -0.400 4.353) 4.490 35.960 ( -3.116 -2.822 -2.702) 4.998 39.438 ( -3.766 -19.176 17.305) 26.103 40.896 ( 1.038 -28.335 -14.979) 32.067 46.305 ( 2.842 -0.486 -0.123) 2.886 46.318 ( -1.175 -1.789 -0.754) 2.269 ======================= Grid point 118 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.382 0.601 -3.640) 3.709 1.608 ( 1.268 -7.063 2.458) 7.585 1.620 ( 0.215 -0.621 6.488) 6.521 1.757 ( -0.034 0.762 -5.706) 5.756 2.048 ( 2.458 -5.886 -1.529) 6.559 2.054 ( -3.996 -0.989 0.652) 4.168 2.248 ( 4.079 -11.388 -4.126) 12.781 2.318 ( 1.230 -8.344 0.387) 8.444 2.434 ( -4.400 -2.246 -0.907) 5.023 2.525 ( -1.198 -6.414 -4.045) 7.678 2.581 ( 0.823 8.653 -6.582) 10.903 2.682 ( -1.016 1.825 0.891) 2.271 2.790 ( -2.937 -4.167 -4.834) 7.025 2.860 ( -1.295 -4.915 -3.915) 6.415 2.893 ( 1.842 5.340 -2.456) 6.160 2.978 ( 0.679 3.381 5.036) 6.104 3.057 ( 5.530 -0.131 -5.130) 7.544 3.118 ( 1.326 2.138 2.281) 3.396 3.244 ( 1.467 -0.819 -2.045) 2.647 3.246 ( -0.911 1.956 3.599) 4.197 3.315 ( 3.693 2.631 -0.760) 4.598 3.354 ( -0.394 1.824 4.660) 5.020 3.454 ( 0.681 0.042 1.139) 1.328 3.501 ( 2.456 1.203 -4.229) 5.036 3.531 ( -3.469 2.081 4.775) 6.259 3.583 ( -0.337 -0.440 1.332) 1.442 3.786 ( -0.540 -1.622 -1.124) 2.046 3.840 ( 1.178 1.718 -0.975) 2.300 3.974 ( -0.928 -1.368 1.542) 2.261 4.002 ( -2.403 -1.142 3.180) 4.146 4.134 ( 0.399 -4.322 -0.705) 4.397 4.183 ( -0.553 -2.173 0.904) 2.418 4.235 ( -3.728 -2.925 2.193) 5.221 4.317 ( -0.120 1.975 -0.895) 2.171 4.385 ( -2.423 -0.075 2.809) 3.711 4.471 ( -0.698 0.523 -1.563) 1.790 4.562 ( 0.664 -1.891 5.098) 5.478 4.747 ( 1.322 -0.889 0.432) 1.651 4.947 ( 1.775 -4.182 -1.210) 4.701 5.142 ( -0.007 2.032 -3.289) 3.866 9.334 ( -0.847 0.852 0.553) 1.323 9.363 ( 0.348 -0.186 -0.096) 0.406 11.357 ( -2.689 22.546 0.371) 22.709 11.443 ( 3.951 0.135 -1.502) 4.229 12.418 ( -0.299 -0.970 0.395) 1.089 12.467 ( 0.197 0.042 -0.694) 0.723 12.790 ( 0.209 1.502 0.176) 1.527 12.802 ( -0.090 0.109 -0.196) 0.242 14.299 ( -6.481 11.082 1.252) 12.899 14.579 ( 11.352 34.964 -5.140) 37.118 15.277 ( -1.580 -0.339 0.539) 1.703 15.337 ( -1.053 -0.532 -0.386) 1.242 17.106 ( 0.884 -1.182 0.494) 1.557 17.113 ( -0.287 -2.431 0.550) 2.509 17.196 ( 0.572 -1.440 0.546) 1.643 17.292 ( -1.402 0.653 -1.266) 1.999 17.346 ( 0.268 0.815 0.035) 0.859 17.369 ( -0.092 -0.284 -0.369) 0.475 17.687 ( 3.890 -1.499 0.170) 4.172 17.710 ( -3.237 -1.215 0.145) 3.460 20.266 ( -7.132 14.201 1.589) 15.971 20.419 ( 7.164 3.117 -0.638) 7.839 20.652 ( -0.778 10.631 0.326) 10.665 20.754 ( 4.520 5.610 -0.690) 7.237 27.147 ( 1.294 -0.257 0.248) 1.342 27.173 ( -0.914 -0.241 -0.054) 0.947 27.604 ( -0.264 -0.069 0.584) 0.645 27.659 ( 0.539 -0.457 -0.537) 0.887 30.450 ( 0.560 1.526 0.828) 1.824 30.603 ( -0.507 2.554 -2.020) 3.295 33.151 ( -0.898 -0.872 3.907) 4.103 33.366 ( -0.187 4.026 0.233) 4.037 33.752 ( -0.356 -1.412 1.841) 2.347 34.067 ( 0.949 4.002 -3.029) 5.108 34.387 ( 1.930 -1.301 -1.327) 2.679 34.494 ( -3.338 -4.336 -0.691) 5.515 35.022 ( -3.685 -5.134 0.806) 6.371 35.144 ( 6.217 -10.623 -0.913) 12.342 35.586 ( 0.459 -2.069 6.498) 6.835 35.995 ( -1.695 -3.007 -3.314) 4.786 39.782 ( -4.365 -15.159 17.422) 23.503 41.380 ( 6.194 -20.547 -17.350) 27.597 46.305 ( -0.265 0.408 0.142) 0.507 46.364 ( 0.957 -1.950 -1.105) 2.437 ======================= Grid point 119 (54/115) ======================= q-point: (-0.22 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -7.680 3.446 -0.911) 8.467 1.529 ( 7.246 12.917 -5.631) 15.845 1.668 ( -2.172 -2.067 4.466) 5.379 1.824 ( -3.423 -11.695 1.824) 12.321 1.981 ( -2.606 7.524 -2.359) 8.305 2.191 ( 4.269 -2.626 -8.287) 9.685 2.309 ( -4.866 2.603 -0.637) 5.555 2.346 ( 1.019 6.394 -3.851) 7.533 2.519 ( -3.971 -5.676 -0.367) 6.937 2.521 ( 9.941 -4.098 -0.588) 10.768 2.639 ( 1.082 -1.490 -6.701) 6.949 2.700 ( -3.171 -7.554 -1.916) 8.414 2.791 ( 2.741 1.277 -1.628) 3.434 2.855 ( -5.327 -2.600 -0.552) 5.954 2.917 ( -1.520 2.887 1.987) 3.820 2.955 ( 2.810 -3.012 -1.382) 4.345 2.990 ( 0.847 5.824 -3.595) 6.896 3.133 ( 0.179 -3.357 -0.472) 3.394 3.189 ( 0.731 1.635 3.967) 4.353 3.271 ( -3.324 -0.125 -0.663) 3.392 3.329 ( 3.432 -0.186 -2.356) 4.167 3.362 ( 0.861 -0.495 3.397) 3.540 3.444 ( -0.345 1.585 2.658) 3.114 3.495 ( 2.007 -0.606 4.288) 4.773 3.540 ( 3.470 -2.117 -0.053) 4.065 3.604 ( -2.325 -2.316 1.984) 3.835 3.753 ( -3.063 2.673 0.890) 4.161 3.806 ( 1.225 2.686 -0.432) 2.984 3.989 ( -2.113 -1.138 -0.718) 2.505 4.055 ( 6.074 -3.700 2.602) 7.573 4.191 ( -1.063 0.239 -1.798) 2.103 4.218 ( 0.814 0.131 -0.047) 0.826 4.256 ( -1.580 -3.682 0.838) 4.093 4.310 ( 1.449 0.559 0.886) 1.788 4.370 ( -3.514 -0.472 2.882) 4.569 4.474 ( 0.949 -0.745 -2.838) 3.084 4.616 ( -0.845 -2.459 4.683) 5.356 4.791 ( 3.666 -1.241 0.953) 3.986 5.006 ( 1.542 -0.709 -0.083) 1.699 5.103 ( 0.377 1.120 -3.033) 3.255 9.278 ( -5.058 1.612 0.154) 5.311 9.381 ( 4.314 0.859 -0.249) 4.406 10.771 ( -35.803 20.357 4.944) 41.481 11.514 ( 13.392 0.382 -4.352) 14.086 12.428 ( -2.052 -0.900 0.049) 2.241 12.485 ( 3.296 -0.671 -0.300) 3.377 12.747 ( -3.257 1.338 0.315) 3.535 12.808 ( 2.058 0.284 -0.254) 2.093 13.814 ( -28.537 12.675 -0.746) 31.234 14.374 ( 36.709 15.099 -2.405) 39.766 15.269 ( -1.298 0.152 1.080) 1.696 15.347 ( 0.558 -0.347 -0.265) 0.709 17.118 ( 0.266 -0.246 0.900) 0.970 17.188 ( 1.410 -2.886 -0.368) 3.233 17.228 ( 0.446 -1.423 0.129) 1.497 17.269 ( -1.050 0.089 -1.116) 1.535 17.331 ( 0.565 1.057 0.635) 1.356 17.372 ( -0.529 -0.339 -0.424) 0.758 17.690 ( -5.661 -0.944 0.346) 5.749 17.757 ( 4.515 -1.319 0.209) 4.708 19.955 ( -7.410 10.077 4.092) 13.161 20.409 ( 8.885 3.173 -2.305) 9.712 20.552 ( 0.509 2.259 1.382) 2.697 20.697 ( -0.193 1.564 -2.197) 2.703 27.136 ( -2.295 0.503 0.223) 2.360 27.176 ( 1.886 0.549 -0.015) 1.965 27.607 ( -0.236 -0.242 0.645) 0.728 27.664 ( 0.270 0.133 -0.508) 0.590 30.422 ( -2.102 0.615 1.236) 2.515 30.581 ( 2.067 0.078 -1.760) 2.716 33.181 ( -0.479 -2.128 2.951) 3.670 33.292 ( -0.310 3.365 0.641) 3.439 33.799 ( -0.358 -3.549 -0.180) 3.572 33.954 ( 0.944 6.533 -3.534) 7.488 34.423 ( 0.037 -1.001 1.155) 1.529 34.540 ( 0.552 -1.560 -1.417) 2.179 35.051 ( -4.825 -0.960 1.632) 5.184 35.329 ( 4.779 -4.397 -4.939) 8.159 35.668 ( 1.264 -3.627 8.895) 9.688 36.032 ( -1.067 -2.481 -3.358) 4.309 39.989 ( -4.332 -5.797 17.573) 19.005 41.701 ( 6.333 -11.008 -19.394) 23.182 46.291 ( -0.641 0.759 0.480) 1.103 46.393 ( 1.049 -0.513 -1.775) 2.125 ======================= Grid point 120 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -11.165 4.878 1.285) 12.252 1.330 ( 15.931 16.501 -5.464) 23.578 1.688 ( -1.888 -0.278 2.836) 3.418 1.725 ( -6.287 11.984 -1.394) 13.605 2.032 ( 2.769 -8.008 -3.409) 9.133 2.175 ( -5.334 1.099 -1.996) 5.801 2.203 ( 5.726 5.180 -5.614) 9.547 2.326 ( 3.790 -0.481 -1.698) 4.180 2.546 ( -1.644 1.642 1.129) 2.584 2.581 ( -0.525 -0.511 -10.337) 10.363 2.658 ( -0.298 1.146 -8.752) 8.832 2.718 ( -0.605 2.963 2.190) 3.734 2.810 ( 2.649 -0.572 0.419) 2.742 2.850 ( 0.714 -2.360 1.346) 2.809 2.855 ( -3.845 0.414 4.168) 5.686 3.018 ( -2.658 -6.494 2.628) 7.492 3.053 ( 0.348 -5.251 -1.248) 5.408 3.181 ( -0.276 0.544 1.254) 1.395 3.195 ( -2.065 0.776 0.318) 2.229 3.236 ( 0.856 -1.776 -2.254) 2.994 3.287 ( 2.533 4.327 -0.805) 5.079 3.397 ( -0.775 -2.371 -0.060) 2.495 3.459 ( -1.068 -1.456 4.459) 4.811 3.542 ( 0.107 -1.695 2.878) 3.342 3.588 ( 1.137 -0.144 0.065) 1.148 3.652 ( -2.759 -2.577 0.980) 3.901 3.711 ( -1.803 -1.298 3.731) 4.343 3.762 ( 0.597 1.631 -1.577) 2.346 4.009 ( 3.365 -1.342 -4.082) 5.458 4.121 ( 0.334 4.647 0.633) 4.702 4.141 ( 1.815 0.263 -1.037) 2.107 4.238 ( -1.107 2.918 1.542) 3.481 4.246 ( -1.710 -0.373 2.583) 3.120 4.342 ( 2.304 -1.563 1.929) 3.387 4.398 ( -0.304 -3.520 2.893) 4.567 4.513 ( 4.294 -3.243 -3.961) 6.682 4.643 ( -3.321 -0.587 4.560) 5.671 4.837 ( 3.466 -0.225 0.152) 3.476 5.008 ( 2.159 1.392 0.207) 2.577 5.102 ( 2.005 -0.794 -3.637) 4.228 9.213 ( -3.520 1.750 0.105) 3.932 9.382 ( 4.668 2.751 -0.500) 5.441 10.124 ( -41.644 15.509 7.445) 45.057 11.608 ( 11.119 -1.417 -5.455) 12.465 12.429 ( -2.298 -1.045 -0.113) 2.527 12.535 ( 4.445 -1.352 -0.165) 4.649 12.694 ( -4.263 1.227 0.355) 4.450 12.816 ( 1.953 0.506 -0.238) 2.032 13.491 ( -11.339 6.026 0.275) 12.844 14.423 ( 34.325 6.699 -5.060) 35.337 15.257 ( -0.224 0.678 1.408) 1.579 15.355 ( 1.656 0.340 0.254) 1.709 17.117 ( 0.331 0.780 0.669) 1.080 17.207 ( -0.016 0.943 -1.930) 2.148 17.251 ( -0.022 -0.929 -0.202) 0.951 17.297 ( 1.446 -1.927 -0.401) 2.442 17.320 ( -0.109 0.352 1.422) 1.469 17.375 ( -0.979 -0.835 -0.168) 1.297 17.660 ( -6.283 -0.791 0.327) 6.341 17.806 ( 2.541 -0.831 0.206) 2.681 19.799 ( -3.236 3.039 4.532) 6.344 20.448 ( 9.434 -1.021 -3.867) 10.246 20.539 ( 0.827 0.005 1.008) 1.304 20.683 ( -1.050 -1.130 -2.873) 3.260 27.107 ( -2.206 0.652 0.022) 2.300 27.181 ( 1.914 0.297 0.109) 1.940 27.609 ( -0.225 0.049 0.588) 0.631 27.660 ( 0.172 0.286 -0.653) 0.733 30.410 ( -2.922 -1.266 1.251) 3.422 30.614 ( 2.281 -1.732 -1.354) 3.168 33.216 ( -1.841 0.153 2.281) 2.935 33.259 ( 0.999 -1.502 1.706) 2.483 33.814 ( -1.263 3.559 -1.356) 4.013 33.912 ( 2.497 -4.028 -2.521) 5.369 34.422 ( -1.268 0.621 0.126) 1.418 34.546 ( 3.439 2.772 -0.975) 4.523 35.003 ( -3.596 2.793 3.660) 5.842 35.386 ( 2.310 -0.358 -6.622) 7.022 35.730 ( -3.072 -1.047 7.236) 7.931 36.067 ( -0.149 -2.223 -2.006) 2.997 39.993 ( -4.275 5.445 18.577) 19.825 41.831 ( 1.403 -3.035 -22.981) 23.223 46.268 ( -0.123 1.392 0.591) 1.517 46.394 ( 1.072 0.844 -2.347) 2.715 ======================= Grid point 125 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.163 0.000 -3.411) 3.415 1.172 ( -8.607 -0.000 -11.113) 14.056 1.471 ( 5.183 0.000 -3.065) 6.022 1.512 ( 12.410 0.000 -5.160) 13.440 1.750 ( 8.779 0.000 -6.973) 11.212 1.766 ( -17.271 -0.000 -2.714) 17.483 2.152 ( 0.937 0.000 -0.281) 0.978 2.207 ( -4.961 -0.000 3.891) 6.305 2.442 ( -3.070 -0.000 6.742) 7.408 2.462 ( -0.712 -0.000 5.179) 5.228 2.542 ( 1.002 0.000 5.259) 5.353 2.728 ( 4.752 0.000 8.863) 10.057 2.780 ( -4.714 -0.000 2.410) 5.294 2.840 ( 8.645 0.000 -5.638) 10.321 2.894 ( -4.094 -0.000 -2.426) 4.759 2.926 ( -1.007 -0.000 -1.777) 2.042 3.029 ( 0.229 0.000 1.566) 1.582 3.176 ( 4.451 0.000 -3.534) 5.684 3.219 ( -5.111 -0.000 0.216) 5.116 3.239 ( 2.861 0.000 -5.020) 5.778 3.379 ( 1.763 0.000 -0.370) 1.801 3.400 ( 1.285 0.000 0.807) 1.518 3.452 ( 2.422 0.000 -2.840) 3.732 3.503 ( 2.614 0.000 -1.858) 3.207 3.553 ( 2.078 0.000 -3.093) 3.726 3.741 ( 3.542 0.000 -3.260) 4.814 3.793 ( -7.379 -0.000 -1.509) 7.532 3.856 ( -2.850 -0.000 -5.667) 6.343 3.920 ( -1.999 -0.000 8.133) 8.375 4.000 ( 3.790 0.000 -0.786) 3.870 4.043 ( -4.761 -0.000 2.277) 5.278 4.137 ( 1.143 0.000 1.975) 2.282 4.139 ( -3.037 -0.000 7.389) 7.989 4.182 ( -3.207 -0.000 4.412) 5.454 4.432 ( 0.867 0.000 -2.406) 2.557 4.562 ( 1.112 0.000 -2.177) 2.445 4.662 ( -0.386 -0.000 0.135) 0.409 4.748 ( -4.108 -0.000 -2.128) 4.626 4.867 ( -0.190 -0.000 4.536) 4.540 5.061 ( 1.714 0.000 -2.855) 3.330 9.324 ( 1.674 0.000 -0.128) 1.679 9.324 ( 2.079 0.000 -0.384) 2.114 11.508 ( -2.023 -0.000 10.346) 10.542 12.005 ( 4.859 0.000 -5.661) 7.461 12.389 ( -0.913 -0.000 0.656) 1.125 12.472 ( -0.939 -0.000 -0.877) 1.285 12.804 ( 0.343 0.000 0.288) 0.448 12.838 ( 1.010 0.000 -0.739) 1.252 14.954 ( 8.497 0.000 17.684) 19.619 15.238 ( 0.833 0.000 -0.232) 0.865 15.282 ( -1.384 -0.000 0.127) 1.390 16.191 ( 20.950 0.000 -18.385) 27.873 17.105 ( 3.038 0.000 -1.469) 3.374 17.158 ( -0.495 -0.000 0.300) 0.579 17.212 ( 2.879 0.000 -2.986) 4.148 17.324 ( 3.165 0.000 0.554) 3.213 17.333 ( -5.149 -0.000 -2.625) 5.780 17.350 ( 0.157 0.000 0.871) 0.886 17.583 ( -0.332 -0.000 0.141) 0.361 17.725 ( -2.465 -0.000 -1.733) 3.013 20.381 ( -2.727 -0.000 12.392) 12.689 20.567 ( 1.939 0.000 3.818) 4.282 20.648 ( 2.317 0.000 -4.654) 5.199 22.345 ( 53.033 0.000 -38.860) 65.746 27.040 ( -0.180 -0.000 0.648) 0.673 27.127 ( -1.189 -0.000 0.062) 1.190 27.598 ( 0.060 0.000 0.029) 0.066 27.638 ( 2.256 0.000 -1.384) 2.646 30.414 ( -1.740 -0.000 2.980) 3.451 30.781 ( 1.004 0.000 -3.866) 3.994 33.167 ( -1.887 -0.000 8.068) 8.286 33.546 ( 0.526 0.000 -2.337) 2.396 33.679 ( -1.977 -0.000 14.817) 14.948 33.984 ( -2.201 -0.000 3.005) 3.725 34.140 ( 1.347 0.000 -1.390) 1.936 34.297 ( 0.206 0.000 -0.963) 0.985 34.525 ( -1.691 -0.000 2.608) 3.109 34.930 ( 0.349 0.000 -3.177) 3.197 35.555 ( -1.509 -0.000 3.809) 4.096 35.892 ( -3.803 -0.000 -2.434) 4.515 38.961 ( -1.513 -0.000 15.751) 15.823 40.117 ( -1.560 -0.000 -7.223) 7.389 46.248 ( 0.221 0.000 0.719) 0.753 46.324 ( 2.393 0.000 -1.645) 2.904 ======================= Grid point 126 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -3.018 -9.426 -10.968) 14.773 1.307 ( -9.218 -9.160 -3.135) 13.368 1.500 ( 6.320 -1.744 0.230) 6.560 1.612 ( -7.388 -10.840 -7.535) 15.128 1.795 ( 3.331 -7.163 0.301) 7.906 1.840 ( 10.334 -3.265 -5.352) 12.087 2.048 ( 2.896 7.885 -1.292) 8.499 2.193 ( -7.229 -1.119 1.551) 7.478 2.375 ( -5.369 5.424 4.602) 8.912 2.474 ( -0.832 -0.898 2.718) 2.981 2.632 ( 0.077 -3.436 5.903) 6.830 2.651 ( -3.660 -3.071 2.873) 5.575 2.760 ( 1.006 1.823 2.520) 3.269 2.855 ( 0.960 0.220 -0.201) 1.005 2.948 ( 4.395 -2.044 1.392) 5.043 3.009 ( 0.535 -0.019 -6.085) 6.109 3.047 ( -0.337 -4.337 -2.558) 5.047 3.145 ( 0.086 2.990 -2.242) 3.738 3.220 ( 0.462 2.702 0.359) 2.765 3.276 ( 5.326 -3.230 -0.194) 6.232 3.371 ( 0.371 1.055 -1.842) 2.155 3.432 ( -0.220 1.872 1.506) 2.412 3.462 ( 3.792 -1.847 -3.255) 5.327 3.507 ( -0.423 -2.149 -1.606) 2.716 3.601 ( 2.120 -3.740 -0.839) 4.380 3.719 ( -0.594 2.437 -1.724) 3.044 3.757 ( 2.682 3.641 -0.445) 4.544 3.831 ( -3.790 -0.974 -3.746) 5.417 3.860 ( -1.767 2.897 2.341) 4.122 3.966 ( -2.519 2.380 5.157) 6.214 4.072 ( 0.779 -1.203 1.286) 1.925 4.124 ( -2.627 -0.435 4.936) 5.609 4.155 ( -0.395 -2.510 0.273) 2.555 4.251 ( 0.250 -4.974 3.165) 5.901 4.403 ( 0.781 2.006 -1.567) 2.663 4.595 ( -1.573 2.211 -0.353) 2.736 4.643 ( 0.892 4.551 -1.285) 4.813 4.696 ( 0.349 -4.865 -0.652) 4.921 4.810 ( -0.722 3.998 3.901) 5.632 5.132 ( 0.436 -3.881 -3.562) 5.286 9.332 ( 1.737 -0.361 -0.163) 1.782 9.341 ( -1.884 -0.652 -0.002) 1.994 11.473 ( -7.651 1.095 6.803) 10.296 11.964 ( 5.046 7.152 -3.853) 9.563 12.390 ( -0.170 -0.368 0.666) 0.780 12.468 ( -0.055 -0.134 -0.972) 0.982 12.804 ( -0.420 0.034 0.158) 0.450 12.836 ( 0.406 0.654 -0.505) 0.921 14.832 ( -8.819 12.921 12.553) 20.058 15.251 ( -0.559 -0.702 -0.171) 0.913 15.280 ( -0.308 -0.687 -0.410) 0.858 16.050 ( 12.697 24.828 -13.362) 30.923 17.096 ( 1.097 2.211 -0.575) 2.535 17.153 ( 0.617 -0.219 1.491) 1.628 17.169 ( 2.003 3.888 -2.460) 5.018 17.310 ( -2.572 -0.331 -2.097) 3.335 17.341 ( 0.386 -0.194 0.136) 0.453 17.364 ( 1.478 -0.192 0.077) 1.493 17.620 ( 2.727 -2.399 0.170) 3.636 17.692 ( -1.922 0.963 -1.084) 2.407 20.385 ( -8.309 -2.302 4.265) 9.619 20.552 ( 3.277 2.978 2.194) 4.941 20.724 ( -0.520 -4.470 0.862) 4.582 22.143 ( 35.907 45.877 -22.894) 62.595 27.083 ( 1.934 -3.096 0.257) 3.660 27.131 ( -1.405 -1.050 0.066) 1.755 27.609 ( -0.419 -0.797 -0.373) 0.974 27.639 ( 2.041 0.861 -0.490) 2.269 30.446 ( 0.165 -2.506 1.723) 3.046 30.746 ( 0.372 3.330 -3.599) 4.917 33.157 ( -1.488 0.896 7.205) 7.411 33.509 ( -0.699 3.115 0.799) 3.291 33.718 ( 0.061 -1.624 8.902) 9.049 34.014 ( -0.743 -3.333 2.722) 4.367 34.271 ( 0.579 -9.267 -2.046) 9.508 34.288 ( -0.122 -1.644 -1.109) 1.987 34.644 ( 0.034 -11.462 2.284) 11.688 34.898 ( -0.905 1.460 -2.232) 2.817 35.554 ( -0.594 -0.110 3.993) 4.038 35.889 ( -1.060 -1.952 -3.208) 3.902 39.118 ( -1.568 -13.161 17.012) 21.566 40.350 ( 1.999 -24.146 -10.394) 26.364 46.267 ( -0.569 -1.810 0.274) 1.917 46.332 ( 2.083 0.574 -0.891) 2.337 ======================= Grid point 127 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -15.207 -9.692 -1.018) 18.061 1.392 ( 0.434 -8.126 -5.814) 10.002 1.624 ( -3.308 -5.970 3.460) 7.653 1.777 ( -2.686 -2.875 4.729) 6.152 1.917 ( 0.209 -6.832 -2.988) 7.460 1.990 ( 4.169 -5.206 -3.082) 7.347 2.011 ( 0.422 -5.077 -5.774) 7.700 2.235 ( 8.405 -4.937 0.233) 9.751 2.285 ( -3.336 -2.773 -2.126) 4.832 2.465 ( -3.125 0.322 -3.966) 5.059 2.685 ( 0.227 -3.418 3.896) 5.188 2.696 ( -2.904 1.188 2.360) 3.926 2.761 ( -0.751 4.414 0.597) 4.517 2.819 ( 2.578 -0.028 -3.785) 4.580 2.981 ( 2.287 1.341 -0.145) 2.655 3.044 ( 1.609 1.628 -2.024) 3.056 3.086 ( 7.428 -1.912 -3.128) 8.283 3.100 ( -1.523 -1.406 1.621) 2.632 3.175 ( -2.082 0.677 -1.731) 2.791 3.309 ( -1.674 -2.450 4.136) 5.090 3.404 ( -0.549 1.213 1.250) 1.827 3.415 ( 5.959 2.054 -2.057) 6.630 3.474 ( -0.622 2.565 1.168) 2.886 3.534 ( -0.498 0.261 -4.882) 4.914 3.593 ( 0.337 4.274 2.313) 4.872 3.621 ( -1.731 5.807 1.199) 6.177 3.727 ( 3.793 -2.877 -1.114) 4.889 3.812 ( -4.172 -1.475 -4.661) 6.427 3.923 ( -0.763 0.909 3.282) 3.490 3.956 ( 4.528 -6.711 1.898) 8.315 4.110 ( -0.316 0.313 5.150) 5.169 4.132 ( -0.848 -3.689 2.412) 4.488 4.191 ( -1.591 -0.065 -1.545) 2.219 4.312 ( 0.320 -2.040 0.658) 2.167 4.388 ( -0.304 0.566 -0.734) 0.975 4.521 ( -1.443 5.724 0.569) 5.930 4.556 ( 1.152 0.107 2.896) 3.119 4.756 ( 0.892 0.751 0.302) 1.205 4.853 ( 2.768 -6.586 0.748) 7.183 5.163 ( 0.348 0.141 -4.149) 4.166 9.316 ( -4.908 0.384 0.315) 4.933 9.362 ( 1.350 -1.299 0.092) 1.876 11.331 ( -25.204 4.712 1.329) 25.675 11.801 ( 8.780 12.936 -1.373) 15.694 12.400 ( -0.125 -0.516 0.424) 0.679 12.473 ( 1.502 -0.162 -0.805) 1.712 12.790 ( -2.440 0.585 -0.047) 2.510 12.826 ( 1.137 0.675 -0.075) 1.325 14.397 ( -33.541 16.704 4.127) 37.697 15.250 ( -1.305 0.287 -1.132) 1.751 15.295 ( 1.113 0.062 0.154) 1.126 15.489 ( 17.311 35.311 -8.015) 40.134 17.084 ( 0.949 -0.634 0.569) 1.275 17.126 ( 4.048 1.822 -0.328) 4.451 17.183 ( 1.497 -0.938 1.468) 2.297 17.283 ( -2.579 0.411 -1.603) 3.064 17.349 ( -0.322 -0.441 -0.154) 0.567 17.372 ( 1.127 0.269 -0.512) 1.267 17.660 ( -3.562 -0.322 0.028) 3.577 17.696 ( 4.668 -1.719 -0.143) 4.977 20.310 ( -14.046 2.775 -0.284) 14.320 20.531 ( 3.847 2.347 1.505) 4.751 20.733 ( -4.442 1.845 -0.721) 4.863 21.378 ( 21.685 43.891 -4.200) 49.135 27.135 ( -2.114 -0.639 0.193) 2.217 27.155 ( 2.427 -2.088 -0.016) 3.201 27.605 ( -0.569 0.312 0.077) 0.653 27.653 ( 1.302 -0.566 -0.331) 1.458 30.476 ( 0.071 0.434 0.809) 0.921 30.665 ( 0.611 3.908 -2.813) 4.854 33.147 ( -0.860 0.221 5.336) 5.410 33.439 ( -0.839 3.628 1.000) 3.856 33.743 ( -0.424 -0.051 4.023) 4.046 34.081 ( 0.141 -2.382 0.411) 2.421 34.330 ( -2.715 -4.517 -2.556) 5.858 34.416 ( 3.043 -2.876 -3.121) 5.223 34.856 ( -6.757 -7.466 1.705) 10.213 34.989 ( 9.775 -11.277 1.177) 14.970 35.570 ( 0.485 -1.009 5.524) 5.636 35.928 ( 0.803 -2.566 -4.006) 4.825 39.448 ( -3.311 -18.072 17.535) 25.398 40.930 ( 10.678 -29.186 -14.353) 34.232 46.291 ( -2.010 -1.149 -0.359) 2.343 46.346 ( 2.469 -0.745 -0.312) 2.598 ======================= Grid point 128 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -9.402 -1.660 3.210) 10.072 1.549 ( -7.847 -10.096 1.204) 12.843 1.634 ( -6.009 -2.759 4.578) 8.042 1.748 ( 5.835 4.427 -7.406) 10.416 2.000 ( -4.535 -3.052 2.078) 5.848 2.105 ( 4.132 -3.654 -2.449) 6.035 2.191 ( -5.401 -12.395 -3.264) 13.909 2.338 ( -3.417 -2.052 -6.374) 7.518 2.431 ( 5.742 -4.685 0.268) 7.415 2.541 ( 5.399 -10.692 -3.294) 12.423 2.560 ( -3.938 6.120 -1.115) 7.363 2.676 ( 4.457 4.806 -8.214) 10.509 2.721 ( -2.268 -1.096 0.786) 2.639 2.880 ( 0.068 -1.543 -1.154) 1.928 2.902 ( 1.886 3.018 -1.425) 3.834 3.010 ( 1.588 3.424 3.767) 5.333 3.084 ( 0.076 -1.196 0.457) 1.282 3.140 ( 0.967 2.990 -1.607) 3.529 3.243 ( -1.411 3.606 4.098) 5.638 3.292 ( 5.544 -3.668 -2.059) 6.960 3.340 ( 0.262 6.601 0.169) 6.608 3.374 ( 1.538 0.403 0.353) 1.629 3.476 ( 0.308 1.225 0.813) 1.503 3.499 ( -0.032 -1.422 -1.709) 2.223 3.526 ( -0.273 0.966 1.429) 1.747 3.592 ( 1.440 0.651 3.159) 3.532 3.764 ( -3.916 1.648 -1.959) 4.679 3.824 ( -1.636 -2.210 0.326) 2.769 3.934 ( 2.431 -2.038 1.147) 3.373 4.076 ( 3.474 -1.753 3.035) 4.935 4.121 ( -1.522 -1.990 0.083) 2.506 4.174 ( -0.731 -2.272 0.758) 2.504 4.223 ( 0.881 -3.199 0.429) 3.346 4.327 ( 1.522 0.858 -0.683) 1.876 4.389 ( 1.252 1.482 4.683) 5.069 4.446 ( -1.432 -0.844 -2.587) 3.075 4.590 ( 0.891 -1.358 4.061) 4.373 4.788 ( 3.313 -1.804 -0.026) 3.773 4.976 ( 2.570 -3.717 0.305) 4.529 5.136 ( 1.352 1.951 -4.024) 4.672 9.260 ( -5.845 0.921 0.126) 5.919 9.399 ( 1.256 -1.367 0.267) 1.875 10.812 ( -50.003 17.433 -0.328) 52.955 11.683 ( 11.417 6.822 -0.467) 13.308 12.405 ( -0.733 -0.286 0.017) 0.787 12.498 ( 3.459 -0.609 -0.315) 3.526 12.746 ( -3.824 1.339 0.001) 4.052 12.827 ( 1.317 0.221 -0.039) 1.336 13.827 ( -31.246 12.447 -0.211) 33.634 15.000 ( 21.177 23.896 -5.478) 32.396 15.266 ( 0.404 0.414 2.749) 2.809 15.331 ( 0.202 -1.056 -0.714) 1.290 17.112 ( 0.406 -1.033 0.392) 1.177 17.161 ( 5.312 -1.376 0.691) 5.530 17.212 ( 1.195 -0.723 1.250) 1.874 17.259 ( -1.565 -0.038 -1.444) 2.129 17.349 ( -0.182 0.214 -0.041) 0.284 17.369 ( 0.298 0.484 -0.555) 0.794 17.636 ( -4.573 -0.411 0.104) 4.593 17.761 ( 3.833 -1.511 0.100) 4.121 20.071 ( -14.207 8.809 0.821) 16.736 20.516 ( 2.623 1.965 1.043) 3.439 20.648 ( 0.162 3.435 -0.660) 3.502 20.889 ( 10.887 20.507 -0.467) 23.223 27.124 ( -2.515 0.011 0.191) 2.523 27.192 ( 1.578 -0.262 0.036) 1.600 27.601 ( -0.325 -0.212 0.510) 0.641 27.666 ( 0.547 -0.103 -0.490) 0.742 30.435 ( -2.258 2.269 0.681) 3.272 30.618 ( 2.747 1.897 -1.880) 3.832 33.157 ( -0.239 -0.822 3.837) 3.931 33.360 ( -0.806 3.856 0.532) 3.975 33.751 ( -0.512 -1.179 1.707) 2.137 34.063 ( -0.007 4.138 -3.347) 5.322 34.374 ( -2.366 -2.657 -2.499) 4.348 34.499 ( 3.639 -3.971 0.884) 5.458 34.939 ( -6.397 -5.870 1.522) 8.814 35.258 ( 7.829 -7.300 -3.034) 11.126 35.629 ( 1.571 -2.894 8.280) 8.911 35.979 ( 1.678 -2.354 -3.757) 4.740 39.780 ( -4.230 -14.870 17.410) 23.283 41.465 ( 13.260 -17.909 -17.459) 28.308 46.288 ( -1.718 -0.286 0.103) 1.745 46.383 ( 1.616 -1.179 -1.161) 2.312 ======================= Grid point 129 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -12.505 4.503 3.999) 13.880 1.645 ( 2.957 0.884 1.903) 3.625 1.672 ( 6.005 4.410 -5.766) 9.421 1.781 ( -1.791 -12.059 0.045) 12.192 1.930 ( -3.185 8.939 -1.041) 9.547 2.176 ( -9.276 -6.571 0.608) 11.384 2.242 ( 5.151 2.051 -6.993) 8.924 2.349 ( 0.100 2.024 -5.510) 5.871 2.452 ( -3.133 -4.945 -4.933) 7.655 2.565 ( -5.769 -1.138 -4.092) 7.164 2.660 ( 4.768 -2.106 0.285) 5.221 2.684 ( 3.410 0.764 -3.999) 5.311 2.792 ( -0.358 -5.239 5.350) 7.496 2.835 ( 1.551 -2.027 -2.682) 3.702 2.918 ( 0.094 2.084 1.170) 2.392 2.986 ( 2.596 1.506 -2.126) 3.678 3.032 ( 5.092 6.986 0.277) 8.649 3.137 ( 0.255 -2.966 0.763) 3.073 3.212 ( 0.156 1.932 4.557) 4.952 3.219 ( -3.181 -0.004 -1.888) 3.699 3.371 ( 0.086 -1.154 -0.144) 1.166 3.381 ( 2.489 1.757 0.386) 3.071 3.437 ( -0.945 0.710 0.989) 1.541 3.516 ( -2.452 -0.397 1.261) 2.786 3.567 ( -0.061 -3.138 2.569) 4.056 3.603 ( 2.249 0.390 1.449) 2.704 3.691 ( -3.886 0.461 -0.082) 3.914 3.818 ( -0.030 1.810 0.769) 1.967 3.988 ( 1.382 -1.553 -1.190) 2.395 4.123 ( 1.742 -1.037 0.123) 2.031 4.179 ( -0.639 -3.525 -1.874) 4.043 4.234 ( 0.656 1.671 -0.746) 1.944 4.246 ( -0.191 -2.380 4.228) 4.856 4.337 ( 1.486 -0.510 0.164) 1.580 4.363 ( 0.957 0.533 2.393) 2.632 4.490 ( 1.996 -2.030 -0.383) 2.872 4.630 ( 0.501 -1.135 4.385) 4.557 4.845 ( 2.678 -1.379 -0.358) 3.034 5.035 ( 2.538 -0.399 -0.240) 2.580 5.110 ( 2.047 1.063 -3.772) 4.421 9.208 ( -3.584 0.514 -0.056) 3.621 9.431 ( 1.835 -0.580 0.015) 1.925 10.105 ( -43.656 14.617 3.710) 46.188 11.670 ( 7.141 2.051 -2.039) 7.704 12.403 ( -0.880 -0.280 -0.136) 0.933 12.545 ( 4.494 -1.069 -0.059) 4.620 12.686 ( -4.575 1.429 0.056) 4.794 12.833 ( 1.040 0.119 -0.101) 1.052 13.506 ( -12.298 4.692 -0.057) 13.163 14.791 ( 16.434 11.558 -5.565) 20.848 15.271 ( 0.871 0.219 2.997) 3.128 15.353 ( 0.080 -1.049 -0.084) 1.056 17.129 ( 0.405 -0.166 0.848) 0.954 17.213 ( 1.210 -0.162 -1.045) 1.607 17.237 ( 0.651 -0.993 0.063) 1.189 17.272 ( 2.926 -1.492 0.552) 3.331 17.337 ( -0.082 0.903 0.198) 0.928 17.359 ( -1.011 0.101 -0.328) 1.067 17.607 ( -4.891 -0.287 -0.017) 4.899 17.808 ( 2.177 -0.888 0.190) 2.359 19.849 ( -6.839 5.140 3.106) 9.102 20.504 ( 1.659 0.967 0.832) 2.093 20.606 ( 5.825 3.544 -0.370) 6.828 20.683 ( -0.210 5.150 -2.798) 5.864 27.103 ( -1.833 0.369 0.072) 1.871 27.198 ( 0.884 0.341 0.101) 0.953 27.606 ( -0.198 -0.265 0.605) 0.690 27.665 ( 0.166 0.255 -0.506) 0.590 30.386 ( -2.246 0.793 0.677) 2.476 30.615 ( 2.371 0.265 -1.193) 2.667 33.187 ( -0.090 -1.691 2.781) 3.256 33.287 ( -0.734 2.886 0.909) 3.113 33.792 ( -0.171 -2.865 -0.281) 2.883 33.953 ( 0.505 5.258 -3.518) 6.347 34.395 ( -2.388 -1.506 -1.521) 3.207 34.594 ( 4.700 -1.525 1.852) 5.277 34.979 ( -4.653 -2.270 2.041) 5.565 35.375 ( 3.559 -2.007 -5.673) 6.991 35.699 ( -1.366 -1.577 6.667) 6.986 36.032 ( 2.421 -1.978 -1.420) 3.434 39.988 ( -4.291 -5.959 17.621) 19.090 41.742 ( 8.416 -6.031 -19.649) 22.211 46.280 ( -0.878 0.111 0.438) 0.987 46.404 ( 0.991 -0.225 -1.856) 2.116 ======================= Grid point 135 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -15.184 -0.000 -12.779) 19.845 1.122 ( 5.805 0.000 -9.940) 11.511 1.365 ( -22.225 -0.000 -3.481) 22.496 1.541 ( 4.680 0.000 -4.527) 6.511 1.790 ( 14.269 0.000 -2.153) 14.430 1.871 ( 11.451 0.000 -8.028) 13.985 2.087 ( -13.619 -0.000 3.882) 14.161 2.175 ( -2.087 -0.000 5.074) 5.486 2.428 ( 0.282 0.000 7.035) 7.041 2.501 ( 2.533 0.000 7.496) 7.912 2.549 ( -5.948 -0.000 3.511) 6.907 2.623 ( -3.686 -0.000 0.895) 3.793 2.825 ( 2.816 0.000 8.068) 8.545 2.863 ( 1.600 0.000 -1.668) 2.311 2.873 ( -0.731 -0.000 -7.364) 7.400 2.972 ( 2.859 0.000 -5.859) 6.520 3.031 ( -0.279 -0.000 1.333) 1.362 3.172 ( -1.068 -0.000 1.004) 1.466 3.276 ( 7.197 0.000 0.965) 7.261 3.277 ( 3.415 0.000 -2.086) 4.002 3.383 ( -1.435 -0.000 -0.886) 1.686 3.455 ( 4.960 0.000 -3.020) 5.807 3.482 ( 2.002 0.000 -1.120) 2.294 3.530 ( 2.070 0.000 0.073) 2.072 3.533 ( -1.534 -0.000 -2.495) 2.929 3.716 ( -1.760 -0.000 -0.561) 1.847 3.762 ( -2.075 -0.000 -9.200) 9.431 3.765 ( -4.061 -0.000 -3.923) 5.647 3.947 ( 1.242 0.000 8.824) 8.911 4.009 ( -0.527 -0.000 4.511) 4.542 4.045 ( 1.555 0.000 1.048) 1.875 4.122 ( -2.357 -0.000 5.480) 5.965 4.130 ( -0.181 -0.000 0.784) 0.805 4.210 ( 3.166 0.000 2.249) 3.883 4.447 ( 2.350 0.000 -2.097) 3.150 4.563 ( -0.019 -0.000 -1.306) 1.306 4.679 ( 2.478 0.000 0.766) 2.594 4.687 ( -2.722 -0.000 -1.706) 3.213 4.888 ( 0.806 0.000 3.576) 3.666 5.058 ( -0.749 -0.000 -3.245) 3.331 9.321 ( -1.910 -0.000 -0.220) 1.923 9.327 ( -1.623 -0.000 -0.306) 1.652 11.407 ( -15.931 -0.000 6.717) 17.289 12.062 ( 4.994 0.000 -2.927) 5.789 12.391 ( 0.779 0.000 0.790) 1.109 12.466 ( 0.674 0.000 -1.067) 1.262 12.799 ( -1.071 -0.000 0.114) 1.077 12.841 ( -0.394 -0.000 -0.610) 0.726 14.840 ( -29.465 -0.000 11.740) 31.718 15.238 ( -0.795 -0.000 -0.151) 0.809 15.271 ( 0.206 0.000 -0.674) 0.705 16.342 ( 6.637 0.000 -9.482) 11.574 17.134 ( -2.192 -0.000 -0.958) 2.393 17.134 ( 0.862 0.000 0.789) 1.168 17.268 ( -1.017 -0.000 -2.358) 2.568 17.273 ( 5.787 0.000 -2.921) 6.483 17.351 ( -0.246 -0.000 0.453) 0.515 17.378 ( 2.454 0.000 0.090) 2.456 17.612 ( 3.562 0.000 1.304) 3.793 17.696 ( -0.011 -0.000 -2.939) 2.939 20.276 ( -13.389 -0.000 6.110) 14.717 20.623 ( 1.225 0.000 6.644) 6.756 20.663 ( 1.602 0.000 -3.051) 3.446 22.932 ( 40.888 0.000 -31.364) 51.532 27.055 ( 1.597 0.000 1.273) 2.042 27.116 ( -0.088 -0.000 -0.540) 0.547 27.597 ( -0.166 -0.000 -0.037) 0.170 27.669 ( 2.551 0.000 -1.441) 2.930 30.415 ( 0.443 0.000 3.164) 3.195 30.781 ( 1.031 0.000 -4.685) 4.797 33.174 ( -1.130 -0.000 8.293) 8.369 33.550 ( 1.122 0.000 -2.137) 2.414 33.724 ( -0.046 -0.000 19.382) 19.382 33.981 ( 0.374 0.000 3.425) 3.446 34.144 ( -0.325 -0.000 -1.075) 1.123 34.283 ( -1.326 -0.000 -2.078) 2.465 34.500 ( -2.751 -0.000 1.992) 3.396 34.902 ( -2.017 -0.000 -4.444) 4.881 35.559 ( 0.153 0.000 4.335) 4.337 35.867 ( 1.916 0.000 -3.397) 3.900 39.017 ( 1.018 0.000 18.611) 18.639 40.074 ( 0.104 0.000 -9.312) 9.312 46.244 ( -1.004 -0.000 0.449) 1.100 46.352 ( 1.973 0.000 -1.005) 2.214 ======================= Grid point 136 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -16.690 -9.637 -9.661) 21.559 1.238 ( -0.958 -5.543 0.073) 5.626 1.351 ( -17.075 -17.786 -11.376) 27.154 1.560 ( -0.632 -0.007 -0.823) 1.037 1.938 ( 11.627 -3.682 -3.234) 12.617 1.970 ( -1.329 -1.115 -1.068) 2.037 1.997 ( 3.036 -1.362 0.961) 3.463 2.153 ( -3.410 -0.562 3.218) 4.722 2.369 ( 5.424 4.542 0.594) 7.099 2.459 ( -1.926 3.321 2.840) 4.776 2.604 ( -3.205 -5.090 4.528) 7.529 2.674 ( 0.242 -3.715 5.482) 6.627 2.773 ( 0.967 2.546 0.119) 2.726 2.892 ( 1.494 1.854 4.228) 4.852 2.958 ( 1.598 -3.047 -5.905) 6.834 3.023 ( 1.195 -4.212 -0.032) 4.378 3.036 ( 2.253 -4.289 -2.567) 5.482 3.149 ( 0.952 2.582 0.780) 2.860 3.232 ( 0.934 3.601 -0.338) 3.736 3.277 ( -5.812 6.023 -6.110) 10.363 3.380 ( 4.463 -3.184 -0.339) 5.493 3.459 ( 0.257 -0.517 -4.332) 4.370 3.500 ( 1.477 -1.382 -3.474) 4.020 3.516 ( 2.191 1.989 1.861) 3.496 3.599 ( -1.015 -2.191 0.905) 2.578 3.698 ( -1.841 0.358 -2.955) 3.500 3.749 ( -3.150 -1.991 -1.077) 3.879 3.806 ( 2.823 1.841 -1.447) 3.668 3.870 ( 2.629 0.243 2.565) 3.681 4.008 ( 3.628 2.585 3.385) 5.595 4.077 ( -0.349 -2.101 2.195) 3.058 4.116 ( -1.598 -0.161 5.536) 5.764 4.164 ( 2.445 0.443 -0.838) 2.622 4.255 ( -0.448 -4.313 0.809) 4.411 4.423 ( 2.597 2.935 -0.946) 4.032 4.581 ( -0.363 1.402 0.724) 1.619 4.633 ( -1.536 3.537 1.126) 4.017 4.735 ( 4.714 -3.647 -1.586) 6.167 4.823 ( 0.455 2.885 3.624) 4.654 5.120 ( -0.207 -4.138 -3.293) 5.293 9.289 ( -4.796 0.614 0.112) 4.836 9.330 ( -1.902 -1.632 -0.237) 2.517 11.220 ( -30.083 4.391 3.822) 30.641 12.033 ( 5.219 6.489 -2.028) 8.571 12.401 ( 1.243 0.034 0.635) 1.396 12.477 ( 1.761 -0.479 -0.987) 2.075 12.783 ( -2.243 0.542 0.005) 2.307 12.834 ( -0.523 0.028 -0.328) 0.618 14.438 ( -41.587 14.288 6.128) 44.398 15.231 ( -1.739 -0.246 -0.391) 1.799 15.275 ( -0.321 -0.751 -0.515) 0.965 16.128 ( 1.199 22.233 -9.650) 24.266 17.091 ( -0.148 1.010 -0.433) 1.109 17.165 ( 0.272 -1.168 1.137) 1.652 17.243 ( 4.788 2.251 -1.568) 5.518 17.288 ( 2.463 2.219 -0.186) 3.320 17.336 ( -0.894 0.039 0.024) 0.895 17.387 ( 1.303 0.334 -0.632) 1.486 17.645 ( 0.247 0.486 -0.226) 0.590 17.701 ( 3.889 -0.976 -1.139) 4.168 20.205 ( -15.527 -1.745 1.903) 15.740 20.598 ( 1.482 2.440 2.293) 3.661 20.706 ( -1.549 -1.617 0.032) 2.240 22.537 ( 23.930 53.309 -20.915) 62.064 27.102 ( -0.128 -1.649 0.448) 1.713 27.131 ( 1.906 -1.895 -0.246) 2.699 27.600 ( -0.601 -0.265 -0.178) 0.681 27.669 ( 2.138 1.028 -0.910) 2.541 30.463 ( 1.165 -2.246 1.799) 3.105 30.740 ( 0.718 3.531 -4.109) 5.465 33.165 ( -0.859 1.131 7.093) 7.234 33.504 ( -0.508 3.787 1.644) 4.159 33.752 ( -0.299 0.375 10.090) 10.102 34.022 ( 0.625 -3.005 1.997) 3.662 34.248 ( -1.364 -1.058 -1.702) 2.424 34.321 ( 3.824 -10.129 -1.495) 10.929 34.628 ( -3.448 -11.851 3.258) 12.765 34.893 ( 2.061 -3.445 -1.838) 4.415 35.574 ( 1.133 -0.304 5.676) 5.796 35.900 ( 4.052 -1.476 -3.952) 5.849 39.169 ( -0.368 -10.732 19.440) 22.209 40.395 ( 9.874 -29.720 -11.259) 33.279 46.249 ( -1.736 -1.263 0.028) 2.147 46.360 ( 1.833 0.293 -0.729) 1.994 ======================= Grid point 137 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -11.599 -15.602 2.939) 19.662 1.365 ( -3.390 -10.066 1.722) 10.760 1.466 ( -15.331 2.552 3.936) 16.033 1.622 ( -11.920 -19.396 -8.292) 24.229 1.940 ( 0.191 2.268 -0.948) 2.465 2.025 ( 1.039 1.334 -0.955) 1.942 2.093 ( 9.384 -4.873 -3.036) 11.001 2.263 ( 4.175 -7.521 -2.942) 9.091 2.381 ( -3.393 -0.987 -4.906) 6.046 2.433 ( 11.387 -2.333 0.412) 11.631 2.631 ( -6.559 4.408 2.099) 8.176 2.684 ( -2.057 -2.934 5.134) 6.261 2.792 ( 3.770 2.094 0.602) 4.354 2.833 ( 0.148 0.095 -2.075) 2.082 3.009 ( 3.457 1.814 -4.234) 5.759 3.055 ( -1.856 2.008 -2.304) 3.576 3.078 ( 0.355 0.725 3.872) 3.955 3.147 ( -1.474 1.351 1.014) 2.241 3.209 ( 8.632 -6.746 -3.709) 11.566 3.275 ( -1.899 -3.972 1.672) 4.709 3.418 ( 1.410 0.582 -0.221) 1.541 3.430 ( -4.651 2.316 2.357) 5.705 3.472 ( 2.366 2.816 -4.402) 5.736 3.520 ( 0.840 0.570 -3.850) 3.982 3.586 ( 0.450 3.321 1.041) 3.510 3.655 ( 3.001 3.413 4.700) 6.538 3.748 ( -2.404 -1.980 -0.091) 3.116 3.759 ( 0.034 0.524 -4.449) 4.480 3.953 ( 1.109 0.417 1.157) 1.656 4.018 ( 3.360 -2.879 1.658) 4.725 4.114 ( 0.488 -0.400 4.295) 4.341 4.148 ( -0.164 -2.268 0.948) 2.463 4.178 ( 1.334 -1.624 -0.877) 2.277 4.320 ( 1.073 -2.091 -0.663) 2.442 4.404 ( 2.095 0.178 -0.820) 2.257 4.500 ( -1.660 5.909 4.364) 7.530 4.589 ( 1.844 0.009 2.435) 3.054 4.776 ( 1.950 -1.230 -1.721) 2.877 4.915 ( 4.477 -5.217 2.156) 7.204 5.164 ( 2.213 -0.397 -3.918) 4.517 9.232 ( -6.125 0.853 0.297) 6.191 9.354 ( -2.553 -2.476 0.133) 3.559 10.718 ( -55.059 14.306 -0.557) 56.890 11.907 ( 5.570 9.088 -0.678) 10.680 12.406 ( 0.970 0.324 0.122) 1.030 12.509 ( 3.308 -0.907 -0.475) 3.463 12.743 ( -3.647 1.267 -0.046) 3.861 12.833 ( -0.216 -0.146 -0.076) 0.272 13.833 ( -34.431 13.746 0.963) 37.086 15.217 ( -2.284 0.508 -2.051) 3.111 15.291 ( -0.978 -1.196 0.045) 1.545 15.607 ( -2.934 24.601 -5.549) 25.389 17.096 ( 0.820 -0.783 0.140) 1.142 17.187 ( 1.127 -0.596 0.472) 1.359 17.245 ( -1.077 0.260 -1.141) 1.590 17.263 ( 8.949 2.746 2.150) 9.604 17.340 ( -0.724 -0.588 -0.224) 0.960 17.384 ( 0.693 0.597 -0.833) 1.237 17.615 ( -1.790 1.100 -0.626) 2.192 17.760 ( 3.726 -1.469 -0.040) 4.005 20.074 ( -15.602 3.200 -0.324) 15.930 20.566 ( 0.617 2.134 1.557) 2.713 20.683 ( -1.741 1.653 -1.016) 2.607 21.603 ( 6.868 44.545 -5.944) 45.462 27.104 ( -1.636 -0.147 -0.022) 1.642 27.187 ( 1.435 -1.452 0.091) 2.043 27.596 ( -0.541 -0.056 0.193) 0.577 27.670 ( 1.095 0.175 -0.718) 1.321 30.470 ( -0.829 2.024 0.653) 2.282 30.679 ( 2.143 2.697 -2.550) 4.286 33.158 ( -0.239 0.236 5.105) 5.116 33.427 ( -1.251 3.749 1.778) 4.334 33.746 ( -1.054 0.489 3.867) 4.038 34.082 ( 0.143 -1.383 -0.755) 1.582 34.286 ( -1.428 -3.888 -3.627) 5.506 34.464 ( 3.940 -2.965 -1.173) 5.069 34.756 ( -7.044 -7.392 1.983) 10.402 35.144 ( 10.230 -11.306 -1.388) 15.310 35.616 ( 2.434 -1.507 8.274) 8.755 35.959 ( 5.212 -1.603 -3.889) 6.698 39.463 ( -3.369 -16.555 18.480) 25.039 41.124 ( 22.534 -28.838 -16.120) 39.991 46.257 ( -2.289 -1.110 -0.145) 2.548 46.374 ( 1.475 -0.653 -1.006) 1.901 ======================= Grid point 138 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -12.791 2.815 4.453) 13.833 1.450 ( -2.414 -15.421 3.126) 15.919 1.574 ( -4.804 -11.128 7.404) 14.203 1.762 ( -2.708 -1.081 -4.456) 5.325 1.941 ( -2.879 -0.842 -1.660) 3.428 2.060 ( -5.341 -11.354 -8.297) 15.043 2.162 ( 0.983 3.645 -1.746) 4.159 2.285 ( 0.183 0.131 -5.818) 5.822 2.469 ( -3.360 3.823 -2.742) 5.782 2.519 ( 5.226 -3.872 0.201) 6.507 2.617 ( 4.321 -10.596 0.397) 11.450 2.720 ( 0.466 0.032 -1.305) 1.386 2.761 ( 7.102 3.722 -3.437) 8.724 2.836 ( -3.348 1.858 -1.656) 4.171 2.938 ( 3.096 0.837 -1.547) 3.560 3.061 ( 4.493 3.059 0.541) 5.462 3.091 ( 0.404 -2.488 3.041) 3.950 3.137 ( -1.341 -0.215 0.269) 1.385 3.232 ( -1.186 5.382 3.152) 6.349 3.340 ( 1.449 0.355 -0.727) 1.660 3.363 ( 0.754 3.311 -0.946) 3.526 3.392 ( 0.637 1.343 -2.162) 2.624 3.457 ( 1.310 0.576 1.738) 2.251 3.485 ( -1.513 0.361 0.085) 1.558 3.557 ( 1.555 0.347 1.488) 2.180 3.637 ( 2.506 1.100 1.489) 3.116 3.694 ( -2.759 3.397 -2.889) 5.244 3.798 ( -2.175 -3.121 0.596) 3.850 3.974 ( 0.148 -1.256 0.478) 1.352 4.097 ( 0.637 -3.301 0.553) 3.408 4.148 ( 3.649 0.026 2.861) 4.637 4.179 ( 0.818 -3.009 1.681) 3.543 4.223 ( -1.304 -1.653 -0.220) 2.117 4.351 ( 1.608 -0.669 -0.266) 1.762 4.394 ( -2.349 1.486 -1.441) 3.132 4.465 ( 3.450 -1.070 3.514) 5.039 4.625 ( 2.217 -1.123 3.722) 4.475 4.825 ( 1.677 -1.997 -1.106) 2.833 5.022 ( 2.117 -2.674 0.901) 3.528 5.164 ( 4.283 2.233 -4.593) 6.665 9.180 ( -4.422 -0.211 -0.067) 4.427 9.388 ( -2.947 -3.170 0.698) 4.384 10.030 ( -45.140 11.286 0.719) 46.535 11.793 ( 4.129 6.275 -0.963) 7.573 12.405 ( 0.757 0.466 -0.157) 0.902 12.558 ( 4.313 -1.123 -0.018) 4.457 12.683 ( -4.445 1.685 -0.075) 4.755 12.835 ( -0.236 -0.256 -0.065) 0.354 13.490 ( -13.856 3.951 0.105) 14.409 15.048 ( -8.178 12.192 -8.686) 17.058 15.285 ( -2.580 0.159 4.632) 5.304 15.340 ( 0.232 0.981 -0.459) 1.108 17.119 ( 0.145 -0.938 0.520) 1.082 17.208 ( 0.264 -0.852 -1.327) 1.599 17.233 ( 0.624 0.015 0.655) 0.904 17.304 ( 7.700 0.717 1.891) 7.961 17.340 ( -0.843 -0.039 -0.229) 0.875 17.368 ( -0.372 1.106 -0.462) 1.255 17.583 ( -1.527 0.668 -0.577) 1.764 17.805 ( 2.012 -0.944 0.095) 2.225 19.889 ( -9.926 4.621 1.586) 11.063 20.530 ( -0.566 1.668 1.145) 2.101 20.646 ( -0.172 1.151 -0.893) 1.467 20.979 ( -0.041 22.520 -2.731) 22.685 27.093 ( -1.247 0.010 0.030) 1.247 27.205 ( 0.002 -0.052 0.121) 0.132 27.599 ( -0.136 -0.376 0.448) 0.601 27.670 ( 0.204 0.225 -0.629) 0.698 30.411 ( -0.711 2.674 0.514) 2.814 30.651 ( 1.954 1.757 -1.447) 3.000 33.171 ( 0.303 -0.724 3.563) 3.648 33.346 ( -1.417 3.752 1.217) 4.191 33.750 ( -0.297 -1.301 1.245) 1.825 34.045 ( -0.674 4.223 -3.485) 5.517 34.333 ( -1.353 -2.766 -3.350) 4.551 34.566 ( 3.310 -4.293 2.676) 6.045 34.859 ( -4.418 -6.859 1.988) 8.398 35.340 ( 5.054 -4.011 -5.777) 8.661 35.682 ( 1.380 -1.301 7.528) 7.763 36.024 ( 5.294 -1.442 -1.634) 5.725 39.780 ( -4.233 -14.576 17.934) 23.495 41.644 ( 18.814 -11.413 -19.806) 29.606 46.262 ( -1.688 -0.994 0.222) 1.972 46.396 ( 0.660 -0.830 -1.757) 2.052 ======================= Grid point 145 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -16.272 -0.000 -11.871) 20.142 0.933 ( -22.339 -0.000 -23.568) 32.473 1.218 ( -1.940 -0.000 11.162) 11.329 1.566 ( 1.180 0.000 -4.104) 4.270 1.870 ( -13.335 -0.000 5.704) 14.504 1.994 ( 13.411 0.000 -3.933) 13.976 2.049 ( 14.226 0.000 -4.041) 14.788 2.108 ( -7.152 -0.000 4.575) 8.490 2.471 ( -2.951 -0.000 1.330) 3.237 2.483 ( 2.172 0.000 5.018) 5.468 2.585 ( 3.403 0.000 10.392) 10.935 2.609 ( -3.089 -0.000 1.537) 3.450 2.855 ( -0.144 -0.000 3.358) 3.361 2.857 ( 3.173 0.000 -7.612) 8.247 2.923 ( 3.702 0.000 3.053) 4.798 2.985 ( 2.994 0.000 -4.546) 5.444 3.040 ( 0.858 0.000 1.351) 1.600 3.164 ( -0.373 -0.000 -0.316) 0.489 3.301 ( -1.880 -0.000 -3.956) 4.380 3.334 ( -0.977 -0.000 -1.303) 1.629 3.346 ( 2.677 0.000 -3.111) 4.104 3.419 ( -4.057 -0.000 -8.954) 9.830 3.497 ( 1.335 0.000 0.571) 1.452 3.573 ( 2.700 0.000 0.117) 2.703 3.607 ( 6.530 0.000 -1.346) 6.667 3.609 ( -8.664 -0.000 -3.610) 9.386 3.718 ( 1.938 0.000 0.987) 2.174 3.768 ( 4.282 0.000 -8.591) 9.599 3.996 ( -0.344 -0.000 7.426) 7.434 4.017 ( -0.578 -0.000 1.239) 1.368 4.062 ( 0.081 0.000 4.453) 4.454 4.113 ( -0.325 -0.000 4.153) 4.166 4.146 ( 0.911 0.000 0.765) 1.190 4.278 ( 4.694 0.000 1.374) 4.890 4.496 ( 5.164 0.000 -2.287) 5.648 4.554 ( -0.821 -0.000 -0.500) 0.961 4.666 ( 0.789 0.000 0.872) 1.176 4.737 ( 4.168 0.000 2.285) 4.753 4.914 ( 1.188 0.000 2.950) 3.180 5.018 ( -2.918 -0.000 -2.392) 3.773 9.270 ( -4.516 -0.000 -0.221) 4.522 9.278 ( -4.507 -0.000 -0.141) 4.509 11.022 ( -40.402 -0.000 4.261) 40.626 12.133 ( 5.464 0.000 -2.535) 6.023 12.418 ( 2.476 0.000 0.917) 2.640 12.483 ( 2.077 0.000 -1.218) 2.408 12.773 ( -2.399 -0.000 0.040) 2.399 12.823 ( -1.695 -0.000 -0.408) 1.744 14.277 ( -43.896 -0.000 4.873) 44.165 15.215 ( -1.936 -0.000 -0.261) 1.953 15.262 ( -1.199 -0.000 -0.639) 1.359 16.332 ( -2.875 -0.000 -13.287) 13.595 17.108 ( -0.355 -0.000 -1.362) 1.407 17.144 ( 0.281 0.000 0.516) 0.588 17.271 ( 1.674 0.000 -0.901) 1.901 17.316 ( -0.363 -0.000 -0.342) 0.499 17.369 ( 3.024 0.000 1.488) 3.370 17.394 ( 0.051 0.000 -0.689) 0.691 17.684 ( 4.753 0.000 1.271) 4.920 17.710 ( 3.540 0.000 -4.124) 5.435 20.062 ( -15.986 -0.000 2.976) 16.261 20.644 ( -0.807 -0.000 4.643) 4.713 20.676 ( 1.371 0.000 -2.250) 2.635 23.303 ( 23.517 0.000 -43.846) 49.754 27.092 ( 2.385 0.000 1.521) 2.828 27.120 ( 0.992 0.000 -1.090) 1.474 27.593 ( -0.296 -0.000 -0.064) 0.303 27.701 ( 2.467 0.000 -2.572) 3.564 30.446 ( 1.912 0.000 3.215) 3.741 30.777 ( 0.782 0.000 -5.242) 5.300 33.189 ( -0.723 -0.000 7.381) 7.416 33.563 ( 1.640 0.000 -2.135) 2.692 33.823 ( 2.991 0.000 22.571) 22.769 34.028 ( 3.729 0.000 8.094) 8.911 34.120 ( -2.553 -0.000 -0.804) 2.676 34.248 ( -1.601 -0.000 -3.260) 3.631 34.462 ( -3.315 -0.000 4.101) 5.273 34.852 ( -2.178 -0.000 -3.773) 4.357 35.596 ( 2.398 0.000 7.353) 7.735 35.916 ( 5.938 0.000 -3.858) 7.081 39.136 ( 5.023 0.000 24.561) 25.069 40.057 ( 2.256 0.000 -10.258) 10.504 46.224 ( -1.700 -0.000 0.121) 1.704 46.374 ( 1.394 0.000 -1.356) 1.945 ======================= Grid point 146 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -15.322 -14.326 -5.330) 21.642 1.045 ( -16.660 -23.650 -14.618) 32.413 1.202 ( -9.088 -1.926 14.261) 17.020 1.510 ( -3.047 4.984 -1.517) 6.036 1.866 ( -4.244 -5.132 1.349) 6.795 2.051 ( -3.811 0.290 0.572) 3.865 2.107 ( 9.859 -1.564 -2.843) 10.380 2.203 ( 12.850 -4.078 -1.548) 13.570 2.435 ( -2.376 7.777 1.262) 8.229 2.462 ( 4.677 -1.228 -1.892) 5.193 2.562 ( -5.493 -3.984 4.337) 8.053 2.679 ( -1.065 -0.516 6.210) 6.322 2.803 ( 2.241 0.986 0.371) 2.476 2.911 ( -0.254 2.631 3.246) 4.186 2.996 ( 4.989 -2.542 -4.096) 6.937 3.034 ( 0.886 -2.411 -1.598) 3.025 3.071 ( -0.515 -4.826 2.082) 5.281 3.178 ( -3.688 3.499 -7.336) 8.925 3.186 ( 4.572 -0.569 1.493) 4.843 3.246 ( 2.598 4.160 -3.638) 6.107 3.380 ( -5.163 -0.452 -3.381) 6.188 3.413 ( 1.121 -2.226 -4.040) 4.747 3.499 ( 0.375 -0.161 -1.732) 1.780 3.564 ( 1.932 -0.334 -0.132) 1.965 3.597 ( 0.466 -1.251 -0.869) 1.593 3.684 ( -0.859 0.421 -0.461) 1.062 3.729 ( 3.341 -1.375 -3.093) 4.756 3.848 ( 3.469 3.973 -1.737) 5.553 3.920 ( 1.425 -0.968 2.279) 2.857 4.027 ( -0.674 -0.697 -1.046) 1.426 4.088 ( -1.501 -2.195 3.507) 4.401 4.112 ( 0.043 -1.537 3.645) 3.956 4.223 ( 2.502 4.916 -0.289) 5.523 4.269 ( 3.882 -4.819 2.833) 6.806 4.469 ( 2.986 4.336 -1.511) 5.478 4.588 ( 0.661 0.430 0.857) 1.165 4.627 ( 0.021 3.093 5.510) 6.319 4.792 ( 3.187 2.494 -2.789) 4.915 4.862 ( 3.499 -3.241 3.676) 6.021 5.120 ( 2.225 -5.847 -0.919) 6.323 9.207 ( -5.840 1.303 0.269) 5.989 9.277 ( -4.774 -2.340 -0.197) 5.320 10.538 ( -61.350 11.716 0.949) 62.466 12.097 ( 3.881 6.731 -2.595) 8.192 12.432 ( 2.622 0.796 0.491) 2.783 12.512 ( 3.139 -1.113 -0.802) 3.426 12.740 ( -3.462 1.139 0.023) 3.645 12.817 ( -1.697 -0.699 -0.211) 1.848 13.831 ( -35.418 11.881 1.436) 37.385 15.199 ( -2.200 -0.016 -0.882) 2.371 15.261 ( -1.378 -0.999 -0.373) 1.742 15.971 ( -17.836 24.076 -15.483) 33.727 17.097 ( 0.924 0.248 -0.254) 0.990 17.168 ( -0.180 -1.386 -0.061) 1.399 17.261 ( 0.683 1.583 0.119) 1.729 17.318 ( -0.988 -0.838 -0.463) 1.376 17.370 ( 2.954 1.114 0.124) 3.160 17.405 ( 2.356 0.530 1.242) 2.715 17.664 ( 3.325 3.562 -1.675) 5.153 17.761 ( 3.991 -1.337 -0.489) 4.238 19.972 ( -14.848 -1.250 0.304) 14.903 20.615 ( -0.218 2.207 2.268) 3.172 20.688 ( -0.380 0.077 -1.091) 1.158 22.600 ( -6.777 57.904 -34.408) 67.696 27.103 ( 0.550 0.564 -0.301) 0.843 27.161 ( 1.652 -2.311 0.147) 2.844 27.591 ( -0.529 -0.026 0.013) 0.530 27.691 ( 1.298 1.291 -2.172) 2.840 30.488 ( 1.143 -0.635 1.566) 2.040 30.739 ( 1.146 2.668 -3.810) 4.791 33.179 ( -0.581 1.153 6.282) 6.413 33.506 ( -0.196 4.960 2.543) 5.578 33.773 ( -1.933 3.402 10.039) 10.775 34.046 ( 1.978 -2.285 0.279) 3.035 34.222 ( -0.929 -0.680 -2.895) 3.116 34.377 ( 3.104 -9.591 -2.161) 10.309 34.585 ( -2.874 -7.243 5.637) 9.618 34.964 ( 7.883 -13.810 -0.197) 15.903 35.639 ( 4.209 -0.326 10.291) 11.123 35.975 ( 7.550 -1.359 -3.727) 8.529 39.242 ( -0.274 -5.821 22.572) 23.312 40.598 ( 24.208 -41.068 -12.990) 49.410 46.220 ( -2.054 -0.842 -0.111) 2.223 46.376 ( 0.647 0.159 -1.960) 2.070 ======================= Grid point 147 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -7.076 -18.880 4.813) 20.729 1.237 ( -13.242 -5.341 8.705) 16.723 1.327 ( -6.177 -11.284 1.350) 12.935 1.442 ( -6.346 -12.480 -3.076) 14.335 1.906 ( -5.208 1.138 2.616) 5.938 2.032 ( 3.436 -0.128 -8.002) 8.709 2.205 ( 4.088 -1.306 -2.044) 4.753 2.286 ( -0.410 2.195 -4.712) 5.215 2.374 ( 5.876 -6.327 -5.053) 10.005 2.533 ( -4.583 2.071 2.868) 5.790 2.574 ( 5.254 -2.759 1.883) 6.227 2.674 ( -2.498 -1.728 6.948) 7.583 2.807 ( -2.205 1.418 -1.266) 2.911 2.866 ( 5.612 1.101 -1.863) 6.014 3.016 ( -0.182 0.856 -4.509) 4.593 3.065 ( 5.326 1.274 -4.958) 7.387 3.092 ( -0.832 -2.076 3.866) 4.467 3.139 ( -0.644 0.053 3.089) 3.155 3.277 ( 1.223 -2.583 -3.759) 4.722 3.288 ( 3.587 -2.239 -2.627) 4.978 3.367 ( -1.545 -1.227 -0.764) 2.115 3.433 ( 0.117 0.318 -3.580) 3.596 3.515 ( 3.853 -0.282 -0.364) 3.880 3.535 ( 2.785 6.328 1.771) 7.137 3.602 ( -0.718 2.562 5.030) 5.690 3.663 ( -5.059 -3.661 -1.208) 6.361 3.731 ( 2.672 4.751 -1.392) 5.626 3.771 ( 3.643 1.889 -2.895) 5.022 3.934 ( -2.405 -0.716 0.337) 2.532 4.065 ( 1.312 -2.442 4.063) 4.918 4.125 ( -0.315 -2.047 0.416) 2.112 4.165 ( 0.795 -2.399 -0.341) 2.550 4.203 ( 1.474 -0.192 1.362) 2.016 4.352 ( 2.654 0.438 1.393) 3.029 4.391 ( -2.384 1.469 -2.453) 3.723 4.530 ( 2.183 4.072 4.741) 6.620 4.636 ( 3.360 -0.561 3.426) 4.831 4.799 ( 2.292 -1.484 -2.706) 3.844 4.976 ( 1.561 -3.622 1.537) 4.232 5.220 ( 6.039 -0.288 -2.088) 6.396 9.139 ( -6.141 0.324 0.092) 6.150 9.288 ( -6.051 -3.181 0.672) 6.869 9.856 ( -47.734 6.851 -1.042) 48.234 11.953 ( 0.251 8.277 -2.274) 8.587 12.432 ( 2.355 1.118 -0.059) 2.607 12.564 ( 4.036 -1.432 -0.106) 4.284 12.683 ( -4.231 1.649 -0.041) 4.541 12.819 ( -1.567 -0.743 -0.114) 1.738 13.462 ( -15.456 4.864 0.255) 16.205 15.130 ( -13.902 7.902 -9.282) 18.490 15.258 ( -4.967 0.336 1.465) 5.189 15.370 ( -18.344 8.112 -2.979) 20.278 17.107 ( 0.303 -0.449 0.354) 0.647 17.186 ( -0.435 -1.015 -1.303) 1.708 17.245 ( 0.973 0.554 0.876) 1.422 17.328 ( -0.609 -0.616 -0.138) 0.877 17.371 ( 0.827 0.462 -1.335) 1.637 17.405 ( 3.640 2.041 2.783) 5.016 17.622 ( 3.882 2.903 -1.144) 4.981 17.805 ( 2.272 -0.714 -0.067) 2.382 19.871 ( -10.888 1.260 0.510) 10.973 20.568 ( -0.949 2.483 1.189) 2.911 20.667 ( -0.179 1.283 -1.006) 1.640 21.477 ( -19.331 36.321 -12.349) 42.959 27.092 ( 0.225 0.502 -0.175) 0.577 27.197 ( -0.267 -0.715 0.138) 0.775 27.591 ( -0.197 -0.350 0.257) 0.476 27.677 ( 0.282 0.544 -1.349) 1.482 30.467 ( 0.257 2.684 0.929) 2.852 30.701 ( 1.625 2.193 -2.143) 3.470 33.174 ( 0.076 0.133 4.554) 4.557 33.415 ( -1.376 4.276 2.880) 5.336 33.738 ( -1.696 0.268 3.258) 3.683 34.084 ( 0.824 0.519 -1.939) 2.170 34.259 ( -0.406 -3.309 -3.715) 4.992 34.507 ( 1.303 -4.353 -1.728) 4.861 34.678 ( -3.664 -7.463 4.536) 9.471 35.267 ( 7.442 -7.698 -6.113) 12.330 35.701 ( 3.936 -0.357 10.098) 10.844 36.053 ( 8.247 -0.577 -2.336) 8.590 39.476 ( -4.022 -15.205 19.807) 25.292 41.480 ( 32.690 -23.074 -23.004) 46.154 46.223 ( -2.107 -1.294 0.038) 2.473 46.378 ( -0.228 -0.738 -2.478) 2.595 ======================= Grid point 155 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -13.334 -0.000 -4.403) 14.042 0.482 ( -25.451 -0.000 -21.642) 33.409 1.129 ( -17.462 -0.000 23.890) 29.591 1.567 ( 0.389 0.000 -0.977) 1.052 1.812 ( 2.977 0.000 -0.344) 2.997 2.008 ( -6.386 -0.000 2.878) 7.004 2.157 ( 10.221 0.000 -5.574) 11.642 2.261 ( 13.305 0.000 -1.439) 13.383 2.459 ( 0.726 0.000 -2.356) 2.466 2.488 ( -5.462 -0.000 5.100) 7.473 2.548 ( -3.717 -0.000 1.448) 3.989 2.653 ( 1.462 0.000 8.369) 8.495 2.831 ( -6.165 -0.000 7.201) 9.479 2.895 ( 4.131 0.000 -6.260) 7.501 2.966 ( 1.743 0.000 -4.081) 4.438 3.042 ( 5.577 0.000 -4.528) 7.184 3.044 ( -1.183 -0.000 -0.017) 1.183 3.169 ( 1.686 0.000 2.322) 2.870 3.259 ( 1.973 0.000 -1.498) 2.477 3.328 ( -3.472 -0.000 -9.204) 9.837 3.353 ( 0.884 0.000 -6.302) 6.363 3.355 ( 2.442 0.000 -2.773) 3.695 3.510 ( -2.139 -0.000 -3.783) 4.346 3.512 ( -0.092 -0.000 2.812) 2.814 3.591 ( 1.554 0.000 -5.913) 6.114 3.635 ( -1.006 -0.000 -4.936) 5.038 3.788 ( 5.943 0.000 -0.054) 5.943 3.849 ( 8.802 0.000 -4.616) 9.939 3.977 ( -3.883 -0.000 4.679) 6.080 4.008 ( -0.694 -0.000 0.259) 0.741 4.060 ( -2.054 -0.000 4.024) 4.518 4.150 ( -0.042 -0.000 -0.894) 0.895 4.174 ( 4.498 0.000 7.077) 8.385 4.340 ( 2.333 0.000 2.104) 3.141 4.523 ( -3.572 -0.000 -1.227) 3.776 4.563 ( 4.101 0.000 -3.444) 5.355 4.737 ( 7.054 0.000 4.227) 8.224 4.814 ( 4.466 0.000 2.755) 5.247 4.958 ( 3.945 0.000 4.227) 5.782 4.978 ( -0.808 -0.000 2.867) 2.979 9.195 ( -4.961 -0.000 -0.144) 4.964 9.201 ( -5.224 -0.000 0.027) 5.224 10.182 ( -70.289 -0.000 1.200) 70.299 12.191 ( 3.135 0.000 -5.779) 6.575 12.470 ( 3.877 0.000 1.063) 4.020 12.518 ( 3.077 0.000 -1.284) 3.334 12.729 ( -3.507 -0.000 0.118) 3.509 12.788 ( -2.676 -0.000 -0.203) 2.684 13.712 ( -29.050 -0.000 0.491) 29.054 15.181 ( -2.283 -0.000 -0.762) 2.406 15.235 ( -1.787 -0.000 -0.647) 1.900 16.101 ( -21.138 -0.000 -34.920) 40.819 17.111 ( 1.039 0.000 -0.914) 1.384 17.147 ( -0.039 -0.000 -0.004) 0.039 17.295 ( -1.394 -0.000 -1.007) 1.720 17.302 ( 2.409 0.000 0.078) 2.410 17.381 ( -1.136 -0.000 -1.124) 1.598 17.419 ( 2.126 0.000 2.797) 3.513 17.753 ( 3.804 0.000 0.821) 3.891 17.764 ( 4.976 0.000 -3.298) 5.970 19.847 ( -12.645 -0.000 0.664) 12.662 20.640 ( -1.341 -0.000 3.025) 3.308 20.688 ( 1.226 0.000 -1.721) 2.113 23.157 ( -19.591 -0.000 -95.082) 97.079 27.131 ( 1.970 0.000 1.326) 2.375 27.136 ( 1.539 0.000 -1.238) 1.975 27.588 ( -0.278 -0.000 -0.029) 0.279 27.713 ( 0.417 0.000 -5.684) 5.700 30.489 ( 2.023 0.000 3.101) 3.702 30.769 ( 0.727 0.000 -4.768) 4.823 33.200 ( -1.022 -0.000 5.780) 5.870 33.582 ( 1.789 0.000 -2.423) 3.012 33.940 ( 3.638 0.000 9.012) 9.719 34.065 ( -3.812 -0.000 -1.356) 4.046 34.163 ( 6.020 0.000 12.372) 13.759 34.221 ( -0.473 -0.000 -2.793) 2.833 34.484 ( 5.162 0.000 19.476) 20.148 34.817 ( -0.985 -0.000 -2.095) 2.315 35.709 ( 8.703 0.000 15.469) 17.749 36.003 ( 6.927 0.000 -3.455) 7.741 39.375 ( 14.345 0.000 33.242) 36.205 40.069 ( 4.157 0.000 -9.785) 10.631 46.198 ( -1.650 -0.000 -0.154) 1.658 46.374 ( -0.688 -0.000 -4.251) 4.307 ======================= Grid point 156 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -2.176 -23.375 5.173) 24.039 0.768 ( -13.917 -25.240 -7.129) 29.691 1.087 ( -12.837 -5.753 25.504) 29.126 1.483 ( -1.894 7.124 2.904) 7.923 1.834 ( -1.922 -1.426 -0.365) 2.421 2.004 ( 0.296 -2.763 -4.755) 5.508 2.233 ( 7.396 -0.353 -5.391) 9.159 2.335 ( -2.855 2.683 -7.199) 8.196 2.387 ( 2.747 2.912 4.075) 5.713 2.502 ( -1.870 -0.558 5.983) 6.293 2.515 ( 3.097 -4.466 0.258) 5.440 2.682 ( -1.890 1.119 4.541) 5.045 2.813 ( -1.919 -0.968 0.489) 2.204 2.925 ( 1.337 0.782 -1.365) 2.065 3.002 ( -1.002 -2.408 -4.458) 5.165 3.011 ( -3.458 -0.925 0.923) 3.697 3.096 ( 5.414 -2.577 -5.744) 8.303 3.140 ( 1.342 3.590 -2.139) 4.389 3.271 ( 0.006 2.671 -3.113) 4.102 3.291 ( 6.574 -2.441 1.234) 7.120 3.339 ( 1.801 -1.135 -2.167) 3.037 3.402 ( 0.664 -2.219 -5.874) 6.314 3.488 ( -2.530 -2.128 -1.475) 3.620 3.562 ( -1.844 -1.811 1.305) 2.895 3.611 ( 3.771 -1.930 -1.854) 4.624 3.689 ( 2.169 -0.684 -3.041) 3.798 3.790 ( 4.437 3.106 -0.821) 5.478 3.887 ( -0.432 6.144 0.877) 6.221 3.932 ( 2.789 -0.621 -1.315) 3.146 4.014 ( -0.186 -2.094 -1.539) 2.606 4.071 ( -1.490 -1.990 3.277) 4.113 4.133 ( 1.427 -1.149 0.831) 2.011 4.226 ( -0.537 2.011 0.086) 2.083 4.354 ( 2.292 -2.633 4.090) 5.377 4.460 ( -3.394 6.821 0.444) 7.632 4.588 ( -0.073 -3.224 -2.611) 4.149 4.706 ( 6.429 5.946 8.432) 12.157 4.831 ( 4.035 3.299 -1.980) 5.576 4.920 ( 1.790 -2.978 1.894) 3.957 5.220 ( 9.582 -6.627 4.872) 12.628 9.111 ( -8.577 2.713 0.298) 9.001 9.193 ( -6.019 -1.717 0.112) 6.260 9.574 ( -52.209 2.709 -1.420) 52.299 12.090 ( -5.423 8.075 -8.576) 12.968 12.482 ( 3.696 1.583 0.314) 4.033 12.563 ( 3.855 -1.672 -0.400) 4.221 12.681 ( -4.248 1.497 0.129) 4.506 12.783 ( -2.570 -1.205 -0.183) 2.845 13.451 ( -15.891 5.955 -0.231) 16.972 15.140 ( -10.329 4.376 -9.259) 14.546 15.234 ( -2.168 -0.529 -0.558) 2.300 15.386 ( -48.694 22.564 -25.142) 59.265 17.109 ( 0.499 0.376 0.100) 0.633 17.161 ( -0.357 -1.004 -1.293) 1.676 17.273 ( 0.567 1.330 0.474) 1.521 17.311 ( 0.430 -0.535 0.544) 0.876 17.369 ( -1.093 0.063 -1.403) 1.779 17.447 ( 0.969 0.034 1.515) 1.799 17.730 ( 5.267 3.624 -0.609) 6.423 17.812 ( 2.862 -0.598 -0.423) 2.954 19.786 ( -9.305 -1.550 0.010) 9.433 20.610 ( -1.391 2.256 1.620) 3.106 20.687 ( 0.653 0.769 -1.243) 1.601 21.961 ( -57.501 45.255 -56.088) 92.197 27.118 ( 1.608 1.329 -0.363) 2.118 27.176 ( 0.242 -1.299 0.175) 1.333 27.585 ( -0.280 -0.069 0.158) 0.329 27.687 ( -0.580 0.665 -3.609) 3.715 30.508 ( 0.746 0.781 1.900) 2.186 30.747 ( 1.457 1.732 -3.009) 3.765 33.190 ( -0.716 0.732 5.176) 5.276 33.517 ( 0.299 6.236 2.864) 6.869 33.762 ( -3.897 5.099 8.971) 11.030 34.084 ( 3.295 -1.709 -1.650) 4.062 34.202 ( -0.162 -1.215 -3.038) 3.276 34.360 ( -3.349 -8.106 -3.802) 9.559 34.612 ( 2.359 -0.601 7.330) 7.724 35.102 ( 9.907 -16.067 -5.342) 19.617 35.781 ( 7.772 2.797 14.400) 16.600 36.100 ( 10.383 -2.261 -2.165) 10.845 39.308 ( -2.896 0.777 24.645) 24.827 41.050 ( 43.219 -50.853 -26.416) 71.775 46.189 ( -1.964 -0.494 -0.121) 2.029 46.352 ( -2.622 -0.471 -5.234) 5.873 ======================= Grid point 165 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 5.248 0.000 18.746) 19.467 0.301 ( 1.126 0.000 16.840) 16.877 0.953 ( -17.526 -0.000 36.277) 40.288 1.558 ( -2.990 -0.000 4.435) 5.348 1.850 ( 1.279 0.000 -8.083) 8.184 1.947 ( -2.195 -0.000 -1.236) 2.519 2.261 ( 6.340 0.000 -5.157) 8.172 2.339 ( -11.637 -0.000 0.595) 11.653 2.426 ( 6.110 0.000 3.456) 7.020 2.465 ( 2.343 0.000 -2.673) 3.554 2.550 ( 1.988 0.000 2.911) 3.525 2.702 ( 1.060 0.000 4.929) 5.042 2.747 ( -6.507 -0.000 3.794) 7.533 2.929 ( 3.681 0.000 -7.357) 8.227 2.963 ( 0.961 0.000 -5.430) 5.514 3.020 ( -1.771 -0.000 -0.814) 1.949 3.066 ( 0.087 0.000 -4.691) 4.692 3.221 ( -1.709 -0.000 -3.439) 3.840 3.285 ( 4.626 0.000 -4.235) 6.272 3.315 ( 3.960 0.000 1.080) 4.104 3.345 ( 2.404 0.000 -3.386) 4.153 3.352 ( -1.201 -0.000 -5.250) 5.386 3.508 ( -4.226 -0.000 -1.553) 4.503 3.527 ( 4.739 0.000 -4.971) 6.868 3.540 ( -7.968 -0.000 -0.749) 8.004 3.612 ( 4.932 0.000 -4.367) 6.588 3.866 ( 3.349 0.000 -0.611) 3.404 3.945 ( -0.089 -0.000 2.668) 2.669 3.954 ( 4.371 0.000 -3.034) 5.321 4.013 ( 3.403 0.000 -1.665) 3.788 4.052 ( -0.597 -0.000 5.572) 5.604 4.145 ( 0.010 0.000 -1.363) 1.363 4.267 ( 4.043 0.000 5.679) 6.971 4.365 ( 0.029 0.000 2.079) 2.079 4.416 ( -9.309 -0.000 -3.858) 10.077 4.587 ( 0.653 0.000 -3.374) 3.436 4.842 ( 4.181 0.000 0.686) 4.237 4.862 ( 1.043 0.000 0.038) 1.043 5.104 ( 10.896 0.000 11.038) 15.510 5.127 ( 21.144 0.000 15.782) 26.385 9.115 ( -30.399 -0.000 0.958) 30.414 9.131 ( -3.143 -0.000 -0.049) 3.144 9.152 ( -30.601 -0.000 -0.469) 30.604 12.064 ( -26.547 -0.000 -27.883) 38.499 12.540 ( 4.692 0.000 1.174) 4.837 12.564 ( 3.521 0.000 -1.110) 3.692 12.669 ( -4.552 -0.000 0.115) 4.554 12.743 ( -3.068 -0.000 -0.195) 3.074 13.420 ( -10.725 -0.000 -1.209) 10.793 14.984 ( -87.942 -0.000 -75.321) 115.789 15.210 ( -1.104 -0.000 -0.577) 1.246 15.213 ( -26.535 -0.000 -16.783) 31.397 17.125 ( 1.083 0.000 -0.491) 1.189 17.140 ( -0.881 -0.000 -0.251) 0.916 17.279 ( -0.206 -0.000 -0.644) 0.676 17.337 ( 1.236 0.000 0.755) 1.448 17.359 ( -0.395 -0.000 -1.305) 1.364 17.442 ( -0.422 -0.000 -0.173) 0.457 17.801 ( 2.021 0.000 0.584) 2.104 17.826 ( 4.069 0.000 -1.328) 4.280 19.706 ( -5.709 -0.000 -0.063) 5.709 20.629 ( -1.275 -0.000 2.078) 2.438 20.700 ( 1.122 0.000 -1.212) 1.652 21.659 (-126.562 -0.000 -126.289) 178.792 27.156 ( 1.534 0.000 -0.734) 1.700 27.156 ( 0.698 0.000 0.846) 1.097 27.585 ( -0.155 -0.000 0.047) 0.162 27.663 ( -3.810 -0.000 -5.297) 6.525 30.523 ( 0.977 0.000 2.920) 3.079 30.770 ( 1.416 0.000 -3.146) 3.450 33.200 ( -1.428 -0.000 4.860) 5.065 33.596 ( 1.242 0.000 -3.056) 3.299 33.992 ( 0.723 0.000 0.636) 0.963 34.012 ( -2.170 -0.000 -1.256) 2.507 34.194 ( -2.085 -0.000 0.328) 2.111 34.212 ( 0.380 0.000 -1.776) 1.816 34.762 ( 14.546 0.000 13.688) 19.973 34.806 ( 0.155 0.000 -0.534) 0.556 36.004 ( 19.754 0.000 15.890) 25.352 36.089 ( 5.472 0.000 -2.097) 5.861 39.790 ( 19.992 0.000 20.324) 28.509 40.108 ( 5.105 0.000 -7.927) 9.429 46.177 ( -0.939 -0.000 -0.349) 1.001 46.285 ( -9.313 -0.000 -8.576) 12.661 ======================= Grid point 166 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 11.321 0.000 21.152) 23.991 1.034 ( 10.984 0.000 21.002) 23.701 1.420 ( -6.249 -0.000 -17.521) 18.602 1.460 ( -8.458 -0.000 -13.146) 15.631 1.802 ( 0.257 0.000 36.620) 36.621 1.887 ( -9.944 -0.000 9.645) 13.853 2.152 ( 7.679 0.000 -12.272) 14.477 2.311 ( 5.779 0.000 1.993) 6.113 2.439 ( -13.533 -0.000 -4.074) 14.133 2.442 ( -0.332 -0.000 -13.924) 13.928 2.575 ( 6.968 0.000 3.210) 7.672 2.651 ( -7.060 -0.000 -2.030) 7.346 2.683 ( -5.882 -0.000 2.097) 6.244 2.803 ( 6.799 0.000 -7.361) 10.020 2.909 ( 2.038 0.000 0.315) 2.062 2.964 ( 1.189 0.000 -3.908) 4.085 3.008 ( -4.960 -0.000 -1.249) 5.115 3.047 ( -2.580 -0.000 3.623) 4.447 3.071 ( 1.659 0.000 -6.263) 6.479 3.194 ( 2.518 0.000 -6.341) 6.823 3.351 ( -7.079 -0.000 3.555) 7.922 3.398 ( 3.436 0.000 -0.312) 3.450 3.470 ( 0.435 0.000 0.536) 0.690 3.493 ( 2.210 0.000 -2.065) 3.025 3.682 ( 0.244 0.000 8.029) 8.033 3.765 ( 6.722 0.000 5.279) 8.547 3.862 ( -1.798 -0.000 -6.903) 7.134 3.867 ( -5.498 -0.000 -0.945) 5.579 3.943 ( 5.218 0.000 -3.516) 6.292 3.959 ( 0.792 0.000 -3.545) 3.632 4.185 ( 2.958 0.000 1.320) 3.239 4.198 ( -2.120 -0.000 0.218) 2.131 4.257 ( 1.808 0.000 5.459) 5.750 4.342 ( -4.231 -0.000 -2.085) 4.717 4.415 ( 3.710 0.000 2.113) 4.270 4.470 ( -3.716 -0.000 -3.445) 5.067 4.862 ( -1.415 -0.000 -0.124) 1.421 4.865 ( 1.995 0.000 -0.468) 2.049 5.485 ( -10.807 -0.000 12.177) 16.281 5.707 ( 20.107 0.000 -8.737) 21.923 9.107 ( 0.092 0.000 0.012) 0.093 9.107 ( 0.553 0.000 0.050) 0.555 9.125 ( 44.101 0.000 16.421) 47.059 9.467 ( -82.086 -0.000 -15.083) 83.460 12.590 ( -4.691 -0.000 0.331) 4.702 12.599 ( 3.541 0.000 -0.465) 3.572 12.647 ( 3.781 0.000 1.540) 4.083 12.679 ( -2.645 -0.000 -1.397) 2.991 13.283 ( -8.007 -0.000 1.159) 8.090 13.313 ( 3.249 0.000 -1.655) 3.647 15.170 ( -0.436 -0.000 0.842) 0.948 15.188 ( 0.509 0.000 -0.797) 0.946 17.126 ( -1.213 -0.000 0.279) 1.245 17.132 ( 0.953 0.000 -0.268) 0.990 17.289 ( 1.487 0.000 0.403) 1.541 17.301 ( -1.751 -0.000 -0.786) 1.920 17.396 ( -3.219 -0.000 0.273) 3.230 17.396 ( 2.318 0.000 0.303) 2.338 17.828 ( -0.851 -0.000 0.739) 1.127 17.845 ( 1.086 0.000 -0.876) 1.395 19.717 ( 6.912 0.000 1.956) 7.183 19.759 ( -17.550 -0.000 -1.914) 17.654 20.656 ( -1.889 -0.000 1.998) 2.750 20.694 ( 2.084 0.000 -1.450) 2.538 27.164 ( -1.476 -0.000 0.366) 1.520 27.170 ( 1.493 0.000 -0.244) 1.513 27.588 ( 0.169 0.000 0.205) 0.266 27.592 ( -0.773 -0.000 -0.225) 0.805 30.615 ( -1.389 -0.000 4.467) 4.678 30.711 ( 1.764 0.000 -4.282) 4.631 33.328 ( -1.651 -0.000 7.427) 7.608 33.483 ( 0.914 0.000 -6.777) 6.838 33.965 ( -3.515 -0.000 0.809) 3.607 33.983 ( 1.965 0.000 -0.841) 2.137 34.178 ( -0.964 -0.000 0.447) 1.063 34.194 ( 1.385 0.000 -1.041) 1.733 34.830 ( 1.999 0.000 0.764) 2.140 34.845 ( -2.991 -0.000 -0.602) 3.051 36.119 ( -7.657 -0.000 0.648) 7.684 36.133 ( 4.539 0.000 -0.640) 4.583 39.813 ( -19.050 -0.000 9.052) 21.091 40.007 ( 10.049 0.000 -8.768) 13.337 46.145 ( -0.942 -0.000 0.592) 1.112 46.158 ( 0.448 0.000 -0.607) 0.754 ======================= Grid point 167 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -3.119 10.204 16.623) 19.753 1.132 ( 1.332 1.879 15.483) 15.653 1.267 ( 2.004 -5.256 -7.013) 8.990 1.484 ( -1.352 -4.439 -18.627) 19.197 1.818 ( -8.897 1.850 9.176) 12.914 1.975 ( 10.794 -6.957 24.726) 27.862 2.141 ( 1.702 0.572 -7.432) 7.646 2.198 ( -3.289 4.580 -10.099) 11.567 2.348 ( 5.654 -0.505 3.679) 6.764 2.459 ( -0.629 -0.734 -9.878) 9.926 2.649 ( -3.329 1.231 1.583) 3.886 2.692 ( -2.229 -3.298 4.497) 6.006 2.744 ( 1.414 -5.287 -0.997) 5.563 2.835 ( -1.174 -3.721 -4.662) 6.080 2.922 ( -4.556 -2.087 -0.425) 5.029 3.026 ( 2.591 -3.152 0.262) 4.089 3.031 ( -3.417 -2.987 0.147) 4.541 3.086 ( -1.120 -5.155 0.594) 5.309 3.100 ( 1.820 -3.383 -2.697) 4.693 3.210 ( 2.418 -0.744 -6.698) 7.160 3.304 ( -1.618 0.637 2.782) 3.281 3.392 ( 2.209 1.832 -0.548) 2.921 3.511 ( -3.502 -2.921 -1.243) 4.727 3.534 ( 3.347 -2.674 2.762) 5.097 3.602 ( -6.410 3.049 -0.386) 7.109 3.706 ( 1.433 6.511 -2.875) 7.260 3.821 ( -5.852 0.346 2.473) 6.362 3.910 ( -0.885 0.068 0.390) 0.969 3.954 ( 1.291 0.002 -4.413) 4.598 3.970 ( 4.422 -0.231 -2.378) 5.026 4.183 ( -2.148 -0.521 0.832) 2.362 4.219 ( 2.355 -0.530 0.888) 2.572 4.276 ( 2.797 3.203 4.102) 5.909 4.292 ( -1.414 0.989 -1.083) 2.038 4.437 ( -2.779 -2.496 2.418) 4.450 4.527 ( 3.836 -6.108 -2.322) 7.577 4.815 ( -5.660 2.146 -0.211) 6.056 4.887 ( 2.742 -0.240 -0.584) 2.813 5.199 ( -16.088 12.626 3.911) 20.822 5.504 ( 10.512 19.304 0.196) 21.981 9.095 ( -5.420 -1.746 -0.635) 5.730 9.146 ( 3.621 -2.462 0.325) 4.391 9.371 ( -36.358 -23.709 -3.135) 43.518 10.407 ( 86.689 -46.100 1.071) 98.190 12.539 ( -4.288 1.407 0.259) 4.521 12.604 ( 2.856 1.353 -0.076) 3.161 12.661 ( -2.252 -0.658 -0.209) 2.356 12.713 ( 3.847 -1.931 -0.083) 4.305 13.294 ( -1.001 -2.123 1.188) 2.630 13.508 ( 26.442 -11.259 -2.218) 28.825 15.185 ( -0.010 -1.379 0.834) 1.611 15.218 ( 2.127 -2.181 -0.968) 3.196 17.105 ( -1.143 0.890 0.413) 1.507 17.124 ( 0.579 0.948 -0.211) 1.131 17.290 ( -1.372 -0.149 -0.484) 1.462 17.304 ( 1.375 -0.142 0.387) 1.436 17.366 ( -3.754 -0.018 0.952) 3.872 17.416 ( 1.900 -0.074 0.111) 1.904 17.803 ( -3.205 1.393 0.374) 3.515 17.839 ( 0.024 0.607 -0.654) 0.893 19.748 ( -4.703 -5.474 2.794) 7.739 19.967 ( 16.699 -13.329 -2.427) 21.504 20.639 ( -1.829 0.749 1.765) 2.650 20.699 ( 2.451 0.863 -1.344) 2.925 27.140 ( -2.675 0.881 0.201) 2.823 27.177 ( 1.616 0.259 -0.079) 1.639 27.591 ( -0.187 -0.497 0.468) 0.707 27.602 ( 0.024 -0.959 -0.584) 1.123 30.597 ( -2.369 1.322 3.937) 4.781 30.699 ( 1.505 1.514 -4.046) 4.575 33.319 ( -1.492 1.030 7.131) 7.358 33.458 ( 1.071 1.983 -6.185) 6.583 33.880 ( -3.387 3.729 7.265) 8.841 34.043 ( 3.628 -1.124 -5.721) 6.867 34.173 ( -3.637 -2.244 0.624) 4.319 34.241 ( 3.749 -3.001 -0.837) 4.874 34.860 ( 0.025 -4.234 5.489) 6.932 34.937 ( -2.761 -7.943 -6.046) 10.357 36.005 ( -9.821 3.333 5.097) 11.556 36.144 ( 0.911 1.400 -2.378) 2.906 39.775 ( -13.671 -11.267 26.740) 32.076 40.380 ( 2.079 -25.866 -27.687) 37.947 46.162 ( 0.377 -1.536 0.654) 1.712 46.191 ( 1.869 -2.431 -1.056) 3.243 ======================= Grid point 168 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -1.112 0.877 15.054) 15.121 1.150 ( 4.682 2.570 2.405) 5.857 1.460 ( 3.465 -10.664 -1.456) 11.307 1.551 ( 0.352 -5.431 -4.678) 7.177 1.747 ( -3.756 -1.287 -1.492) 4.241 2.072 ( 9.485 4.547 -3.196) 10.994 2.215 ( -2.373 -8.475 -2.784) 9.231 2.263 ( 1.061 -2.397 5.399) 6.002 2.391 ( 2.931 1.002 -0.648) 3.165 2.501 ( 0.740 -5.052 -3.381) 6.124 2.569 ( 3.970 5.136 3.239) 7.255 2.681 ( 2.101 2.565 -6.862) 7.621 2.801 ( -2.657 -4.421 5.540) 7.569 2.894 ( -10.747 -4.765 0.628) 11.772 2.931 ( -1.514 -0.058 -0.347) 1.555 3.044 ( -4.748 -2.826 -1.637) 5.763 3.082 ( 2.265 -1.870 0.049) 2.937 3.156 ( 2.941 0.040 2.373) 3.779 3.169 ( -0.049 -0.072 -0.692) 0.698 3.241 ( -0.743 -4.712 -2.243) 5.271 3.329 ( -0.381 -0.252 1.762) 1.820 3.404 ( 2.865 -2.176 -1.716) 3.986 3.488 ( -5.261 0.911 -2.304) 5.815 3.537 ( -2.566 -1.535 0.005) 2.990 3.589 ( -4.344 1.907 -0.415) 4.762 3.650 ( 2.515 -0.582 1.066) 2.793 3.722 ( -4.706 4.592 1.235) 6.690 3.891 ( 0.800 -0.597 1.275) 1.619 3.951 ( 0.562 0.697 -4.844) 4.926 4.009 ( 2.857 -1.206 0.065) 3.101 4.145 ( -2.753 3.196 3.612) 5.553 4.226 ( 1.202 0.652 1.067) 1.735 4.258 ( 1.672 -1.053 1.548) 2.510 4.315 ( 1.810 -2.710 -0.955) 3.396 4.486 ( -2.819 -2.467 2.174) 4.331 4.642 ( -2.799 0.405 -3.663) 4.627 4.723 ( -1.752 -2.114 0.514) 2.794 4.900 ( -1.957 -1.275 -1.751) 2.919 5.000 ( 0.802 4.654 1.965) 5.115 5.215 ( 7.147 16.252 -0.103) 17.755 9.108 ( -3.772 -3.124 -0.231) 4.903 9.244 ( 5.350 -3.653 0.762) 6.523 9.586 ( -24.964 -20.472 0.914) 32.297 11.413 ( 40.471 -9.801 -1.632) 41.673 12.480 ( -3.303 1.634 -0.118) 3.687 12.598 ( 3.287 1.538 0.067) 3.629 12.655 ( -3.256 -0.878 -0.152) 3.376 12.773 ( 3.114 -1.449 -0.004) 3.435 13.336 ( -0.194 -2.512 0.628) 2.597 14.049 ( 48.601 -10.128 -3.396) 49.761 15.222 ( 0.473 -2.037 0.866) 2.263 15.291 ( 4.403 -2.732 -1.242) 5.328 17.094 ( -0.284 -0.434 0.934) 1.068 17.120 ( 0.516 -0.397 -0.537) 0.844 17.281 ( -0.835 0.323 -0.155) 0.908 17.313 ( 1.266 0.235 0.263) 1.314 17.344 ( -3.486 -0.340 0.757) 3.583 17.426 ( 1.493 0.581 0.407) 1.653 17.726 ( -6.325 2.501 -0.215) 6.805 17.828 ( 0.039 0.331 -0.254) 0.419 19.827 ( -1.454 -3.696 2.869) 4.899 20.320 ( 23.157 -4.823 -3.571) 23.922 20.610 ( -1.473 1.056 2.100) 2.774 20.695 ( 3.116 1.658 -1.351) 3.779 27.102 ( -2.858 0.622 0.163) 2.930 27.186 ( 1.917 0.192 0.033) 1.927 27.604 ( -0.182 -0.762 0.511) 0.935 27.620 ( 0.331 -0.789 -0.750) 1.138 30.538 ( -3.739 2.807 2.135) 5.140 30.669 ( 1.999 2.156 -2.567) 3.903 33.295 ( -1.604 1.352 5.947) 6.306 33.405 ( 0.900 3.178 -4.375) 5.481 33.817 ( -1.842 2.128 8.041) 8.520 34.017 ( 3.364 4.459 -6.921) 8.894 34.238 ( -3.107 -5.770 -2.030) 6.861 34.359 ( 5.500 -5.666 1.453) 8.029 34.960 ( -3.200 -5.259 4.879) 7.855 35.069 ( -1.123 -8.134 -6.122) 10.242 35.887 ( -10.019 1.955 5.456) 11.575 36.108 ( 0.243 1.769 -2.133) 2.782 40.058 ( -11.341 -18.864 34.145) 40.625 40.789 ( -0.149 -20.414 -36.138) 41.505 46.205 ( 0.497 -2.310 0.600) 2.438 46.260 ( 2.544 -2.785 -1.360) 4.010 ======================= Grid point 169 (74/115) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 7.151 -7.760 6.050) 12.164 1.183 ( 8.702 -4.300 0.749) 9.735 1.634 ( -3.578 -3.594 10.662) 11.806 1.690 ( 4.728 -8.560 -1.524) 9.897 1.843 ( 2.139 -8.510 -11.330) 14.331 2.057 ( 5.064 1.602 -1.809) 5.611 2.165 ( -3.023 4.873 -0.175) 5.737 2.345 ( 0.605 3.861 -9.432) 10.210 2.415 ( 4.757 0.881 -4.280) 6.460 2.463 ( -0.437 -5.785 1.755) 6.061 2.563 ( 0.640 3.245 5.227) 6.185 2.694 ( -1.484 -1.609 -2.976) 3.694 2.839 ( -6.519 1.514 -1.360) 6.830 2.905 ( -1.046 -3.727 1.876) 4.302 2.958 ( -0.217 -5.180 -0.316) 5.194 3.070 ( 0.752 2.032 -1.939) 2.907 3.076 ( -7.352 0.201 1.452) 7.496 3.147 ( 3.065 1.014 0.848) 3.337 3.186 ( 3.147 0.606 3.709) 4.902 3.268 ( -2.717 1.130 0.893) 3.075 3.295 ( -0.426 0.537 3.041) 3.117 3.415 ( -1.487 2.548 -4.084) 5.038 3.482 ( -4.435 -4.885 0.997) 6.673 3.559 ( -2.363 -0.104 1.522) 2.813 3.574 ( 0.808 0.285 -0.199) 0.879 3.617 ( -2.013 -1.896 -2.664) 3.840 3.679 ( 0.907 -0.535 0.032) 1.054 3.893 ( 0.356 3.236 0.915) 3.382 3.959 ( 6.602 -0.354 -3.741) 7.597 4.010 ( -4.455 0.424 2.917) 5.342 4.123 ( -0.832 -2.579 1.516) 3.105 4.237 ( -1.009 -0.985 -0.985) 1.720 4.308 ( 3.444 -0.349 3.479) 4.908 4.388 ( 2.228 -2.947 -0.757) 3.771 4.432 ( -3.938 2.865 -2.229) 5.356 4.627 ( -1.403 -2.924 0.240) 3.252 4.802 ( 2.184 -0.528 -1.509) 2.706 4.831 ( -1.405 7.668 7.254) 10.649 4.926 ( -0.291 1.014 -4.129) 4.262 5.088 ( 2.700 1.178 -1.559) 3.333 9.149 ( -1.373 -2.742 -0.065) 3.067 9.354 ( 4.843 -3.200 0.619) 5.838 9.758 ( -14.049 -11.863 2.329) 18.535 11.640 ( 13.404 2.036 -0.719) 13.577 12.430 ( -2.147 1.246 -0.222) 2.492 12.597 ( 3.720 1.324 0.119) 3.950 12.643 ( -3.884 -0.722 -0.074) 3.952 12.814 ( 1.902 -0.803 -0.019) 2.065 13.385 ( 0.622 -2.072 0.284) 2.182 14.478 ( 34.506 -1.912 -2.709) 34.665 15.270 ( 1.259 -1.873 1.131) 2.524 15.367 ( 5.164 -1.001 -1.060) 5.366 17.118 ( 0.400 -1.462 1.434) 2.087 17.143 ( 0.546 -1.504 -0.904) 1.838 17.264 ( -0.549 0.658 -0.056) 0.859 17.315 ( 1.429 0.624 -0.132) 1.565 17.331 ( -2.515 -0.585 0.952) 2.752 17.412 ( 0.622 1.806 0.453) 1.962 17.630 ( -7.033 1.607 -0.608) 7.240 17.826 ( 0.131 -0.043 -0.043) 0.144 19.866 ( 0.327 -0.369 2.537) 2.585 20.469 ( 15.350 2.317 -2.530) 15.729 20.593 ( 0.229 0.711 2.662) 2.765 20.662 ( 1.709 3.523 -1.488) 4.189 27.083 ( -1.547 -0.350 0.166) 1.594 27.197 ( 1.571 0.144 0.082) 1.580 27.617 ( -0.132 -0.580 0.632) 0.868 27.634 ( 0.296 -0.548 -0.667) 0.913 30.453 ( -3.582 2.941 0.773) 4.699 30.638 ( 1.658 2.079 -1.307) 2.963 33.269 ( -1.575 0.868 4.205) 4.574 33.342 ( 0.532 3.053 -1.906) 3.638 33.794 ( -0.463 0.708 4.809) 4.883 33.932 ( 2.600 4.877 -5.977) 8.141 34.309 ( -2.295 -3.892 -2.526) 5.176 34.533 ( 6.730 -6.373 2.634) 9.636 35.015 ( -5.210 -3.066 2.155) 6.418 35.196 ( 0.323 -5.756 -3.899) 6.959 35.800 ( -8.340 0.747 3.482) 9.069 36.085 ( 0.623 0.605 -0.630) 1.073 40.368 ( -9.640 -13.530 33.654) 37.531 41.041 ( 1.383 -12.256 -34.620) 36.752 46.254 ( 0.448 -2.026 0.629) 2.168 46.322 ( 1.901 -1.938 -1.378) 3.045 ======================= Grid point 170 (75/115) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.810 -1.698 2.151) 2.857 1.400 ( 8.355 -5.763 -3.909) 10.877 1.700 ( -1.733 -4.162 4.667) 6.489 1.800 ( 2.019 -1.062 -0.958) 2.474 1.940 ( 1.849 0.620 1.148) 2.263 2.092 ( 2.798 -0.131 -4.489) 5.291 2.130 ( 1.800 -3.575 0.431) 4.026 2.259 ( -1.950 1.801 -10.200) 10.540 2.343 ( -1.038 3.508 0.318) 3.673 2.527 ( 2.771 1.617 -3.806) 4.977 2.629 ( 1.359 -3.965 2.502) 4.882 2.693 ( -4.110 -2.724 -0.179) 4.934 2.800 ( -0.095 -1.685 -1.820) 2.482 2.880 ( -2.350 5.451 2.633) 6.494 2.957 ( -0.488 1.404 1.057) 1.823 3.043 ( -2.766 -2.397 -1.166) 3.841 3.092 ( -0.008 0.772 0.866) 1.160 3.126 ( 0.775 3.073 -1.763) 3.626 3.164 ( 0.531 -0.558 2.963) 3.062 3.272 ( 0.088 1.074 0.550) 1.210 3.315 ( 0.052 -0.217 0.868) 0.897 3.359 ( -0.109 -3.914 -0.647) 3.969 3.487 ( -3.857 1.809 0.585) 4.301 3.543 ( -1.659 -0.316 1.455) 2.230 3.570 ( -0.220 -0.005 -2.024) 2.036 3.670 ( 1.012 1.267 0.784) 1.801 3.725 ( 2.439 -5.313 -1.644) 6.073 3.801 ( -1.601 5.261 4.140) 6.883 3.996 ( -2.195 -0.934 0.793) 2.514 4.007 ( 2.804 -1.229 -3.776) 4.861 4.173 ( 0.260 -0.923 -0.008) 0.959 4.218 ( -2.019 1.099 -1.737) 2.881 4.332 ( 1.620 -1.587 1.290) 2.609 4.377 ( -0.321 1.761 -0.346) 1.823 4.442 ( -0.046 -0.358 1.402) 1.447 4.633 ( 3.888 3.417 4.674) 6.974 4.726 ( -2.013 -0.639 4.808) 5.252 4.852 ( 2.840 -0.164 -2.362) 3.698 4.896 ( -4.875 -1.482 -5.558) 7.540 5.101 ( 1.277 -0.040 -0.012) 1.278 9.182 ( -0.248 -1.080 -0.011) 1.108 9.429 ( 1.966 -1.453 0.016) 2.444 9.841 ( -4.947 -3.735 3.022) 6.896 11.651 ( 3.527 1.516 -1.058) 3.982 12.401 ( -0.751 0.488 -0.137) 0.906 12.603 ( 3.253 0.837 0.163) 3.363 12.627 ( -3.365 -0.596 -0.142) 3.420 12.834 ( 0.657 -0.258 -0.045) 0.707 13.419 ( 0.470 -0.778 0.111) 0.916 14.660 ( 11.546 -0.299 -2.981) 11.929 15.315 ( 1.246 -1.425 1.154) 2.217 15.391 ( 1.872 1.132 -0.079) 2.189 17.148 ( -0.078 -0.918 1.441) 1.710 17.173 ( 0.572 -1.120 -1.176) 1.722 17.253 ( -0.085 0.187 0.065) 0.216 17.314 ( 1.296 0.387 -0.272) 1.379 17.333 ( -0.890 -0.866 0.753) 1.453 17.373 ( -0.252 2.017 0.256) 2.048 17.570 ( -3.458 0.291 -0.514) 3.508 17.829 ( 0.068 -0.066 0.079) 0.124 19.867 ( 0.132 0.560 2.488) 2.554 20.516 ( 7.145 0.294 -1.098) 7.235 20.570 ( -1.604 2.267 0.318) 2.795 20.613 ( 0.391 0.462 -0.771) 0.980 27.086 ( -0.390 -0.428 0.068) 0.583 27.203 ( 0.608 0.054 0.086) 0.617 27.624 ( -0.185 -0.093 0.840) 0.865 27.644 ( 0.232 -0.391 -0.768) 0.893 30.390 ( -1.626 1.267 0.395) 2.098 30.614 ( 0.750 0.987 -0.755) 1.451 33.254 ( -0.959 0.239 2.117) 2.337 33.299 ( 0.120 1.254 0.443) 1.336 33.792 ( -0.001 0.025 0.426) 0.427 33.866 ( 1.423 2.180 -2.965) 3.946 34.342 ( -1.256 -1.269 -1.541) 2.359 34.681 ( 4.636 -2.950 2.574) 6.068 35.017 ( -3.307 -0.544 1.015) 3.501 35.271 ( 0.367 -2.237 -3.151) 3.881 35.749 ( -4.651 -0.239 1.921) 5.038 36.086 ( 1.166 0.247 0.317) 1.233 40.528 ( -8.125 -3.723 30.965) 32.229 41.177 ( 5.474 -5.507 -32.047) 32.974 46.286 ( 0.107 -0.769 0.687) 1.037 46.356 ( 0.873 -0.794 -1.487) 1.899 ======================= Grid point 171 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -7.244 1.022 3.527) 8.121 1.471 ( 0.850 -0.111 -10.339) 10.375 1.720 ( 1.801 3.851 0.082) 4.252 1.848 ( -3.938 -4.084 -2.485) 6.194 1.934 ( 5.942 2.158 4.727) 7.893 2.067 ( -1.146 3.773 -0.442) 3.968 2.122 ( -7.884 5.678 -2.184) 9.958 2.200 ( 0.990 1.460 -4.494) 4.827 2.342 ( 3.932 -3.531 0.548) 5.313 2.482 ( -1.082 -0.755 -2.000) 2.396 2.657 ( 1.674 2.333 0.459) 2.908 2.717 ( -3.200 -1.077 0.698) 3.448 2.767 ( 3.964 2.802 -2.181) 5.322 2.920 ( -1.321 1.759 2.590) 3.398 2.974 ( 4.976 -5.496 -2.825) 7.934 2.980 ( 1.911 2.198 1.461) 3.259 3.088 ( -0.187 0.573 -0.993) 1.161 3.136 ( 1.009 -4.615 0.840) 4.798 3.231 ( 3.081 -1.452 0.264) 3.416 3.272 ( -1.254 -3.213 -1.202) 3.653 3.298 ( -2.216 2.246 0.876) 3.275 3.384 ( -0.310 2.436 -2.824) 3.742 3.483 ( 2.261 -2.148 3.509) 4.695 3.522 ( -0.087 -0.046 1.283) 1.287 3.566 ( 0.102 -0.165 -0.901) 0.921 3.642 ( -2.626 2.312 1.669) 3.876 3.709 ( -1.335 2.236 1.450) 2.980 3.825 ( -0.417 -2.245 0.959) 2.477 3.994 ( -3.291 -0.342 0.551) 3.355 4.045 ( 5.532 -1.181 -5.132) 7.638 4.164 ( -1.181 -1.365 0.291) 1.828 4.199 ( -1.012 1.337 -0.464) 1.740 4.324 ( 0.802 3.211 1.340) 3.571 4.379 ( -0.686 -1.161 0.037) 1.350 4.420 ( -0.504 1.947 3.235) 3.810 4.609 ( -1.364 1.994 5.324) 5.846 4.750 ( 2.466 -1.080 3.525) 4.436 4.855 ( 2.610 2.337 -1.024) 3.650 4.915 ( -3.106 -5.300 -7.890) 10.000 5.097 ( -0.199 0.888 0.331) 0.968 9.181 ( 0.256 1.108 0.028) 1.137 9.432 ( -1.797 1.222 -0.245) 2.187 9.841 ( 2.514 3.428 3.056) 5.235 11.664 ( -1.876 -2.684 -2.173) 3.930 12.400 ( 0.759 -0.350 -0.013) 0.836 12.605 ( -2.711 -0.728 0.009) 2.807 12.626 ( 2.801 0.437 -0.022) 2.835 12.834 ( -0.604 0.213 -0.090) 0.646 13.419 ( -0.371 0.828 0.116) 0.915 14.670 ( -11.200 -1.391 -3.892) 11.938 15.333 ( -0.284 0.656 -0.602) 0.934 15.365 ( -2.522 0.720 2.324) 3.504 17.150 ( -0.672 0.556 1.044) 1.360 17.182 ( 0.323 0.488 -1.663) 1.763 17.254 ( 0.553 -0.024 0.057) 0.556 17.315 ( -1.438 -0.470 -0.395) 1.563 17.341 ( -0.021 0.097 -0.079) 0.127 17.369 ( 2.146 -1.380 0.734) 2.655 17.564 ( 2.222 -0.221 -0.031) 2.233 17.828 ( -0.098 0.169 0.154) 0.249 19.864 ( -0.959 -0.129 2.632) 2.805 20.509 ( -6.840 -0.802 -0.216) 6.890 20.584 ( -0.597 -3.310 -0.743) 3.444 20.635 ( 2.352 -2.220 -2.942) 4.372 27.088 ( 0.248 0.157 -0.112) 0.314 27.203 ( -0.610 -0.045 0.077) 0.617 27.621 ( -0.173 0.366 0.830) 0.924 27.648 ( 0.082 -0.084 -0.913) 0.921 30.389 ( 1.074 -1.212 0.559) 1.713 30.612 ( -0.145 -0.665 -0.594) 0.903 33.254 ( -0.074 -0.246 2.091) 2.107 33.299 ( -0.364 -1.279 0.493) 1.418 33.792 ( -0.067 -0.108 0.451) 0.469 33.866 ( -0.059 -1.952 -2.986) 3.568 34.333 ( 0.298 1.564 -0.655) 1.721 34.697 ( -2.444 2.562 1.202) 3.740 35.002 ( 2.305 2.233 2.058) 3.813 35.279 ( 0.275 0.871 -3.568) 3.683 35.753 ( 0.517 -1.549 1.552) 2.253 36.087 ( 1.586 0.768 0.204) 1.774 40.504 ( -6.436 6.008 29.953) 31.221 41.222 ( 10.166 1.061 -32.741) 34.299 46.285 ( -0.393 0.833 0.696) 1.154 46.360 ( -0.204 0.394 -1.754) 1.809 ======================= Grid point 172 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -13.705 -2.406 5.003) 14.787 1.355 ( -5.658 9.388 -14.387) 18.086 1.560 ( 3.042 14.419 5.879) 15.866 1.774 ( -5.893 11.934 -1.490) 13.393 1.834 ( -2.908 -0.100 -4.356) 5.238 2.024 ( 5.595 -1.649 10.003) 11.580 2.073 ( -6.567 -2.060 -2.839) 7.445 2.219 ( 4.075 -2.572 0.647) 4.862 2.487 ( 3.167 -3.037 -4.115) 6.016 2.512 ( 0.748 7.797 -3.165) 8.448 2.566 ( 1.502 -5.035 -1.822) 5.561 2.696 ( 0.706 1.030 -1.436) 1.903 2.766 ( 2.245 0.369 4.411) 4.963 2.863 ( -2.969 1.979 2.733) 4.495 2.983 ( 5.199 1.408 -2.009) 5.749 3.056 ( 3.422 3.029 -0.104) 4.571 3.109 ( -0.289 -2.502 -3.033) 3.943 3.226 ( 0.609 -1.109 1.345) 1.846 3.254 ( 0.878 -2.621 -4.075) 4.924 3.277 ( 3.266 -0.822 1.413) 3.652 3.311 ( -4.886 -0.010 1.063) 5.000 3.354 ( -0.265 -0.927 -2.821) 2.981 3.522 ( 0.236 0.944 -2.249) 2.450 3.543 ( 1.799 -1.435 2.554) 3.439 3.577 ( 3.171 -0.518 1.159) 3.415 3.609 ( 1.083 -0.908 -1.207) 1.858 3.686 ( -1.714 0.112 0.249) 1.736 3.811 ( -0.729 1.034 3.552) 3.771 3.954 ( -2.334 1.800 -0.298) 2.962 4.118 ( 0.785 -1.846 -5.592) 5.941 4.144 ( 1.524 1.660 -0.411) 2.291 4.195 ( -0.680 -0.429 1.876) 2.041 4.316 ( 0.359 -0.210 4.896) 4.914 4.342 ( -2.704 2.752 0.798) 3.940 4.394 ( 1.709 -0.799 0.730) 2.023 4.582 ( -0.868 0.964 3.850) 4.063 4.790 ( 1.844 -0.010 4.006) 4.410 4.810 ( 3.066 3.642 0.050) 4.760 5.004 ( -4.733 -6.114 -4.755) 9.078 5.080 ( -0.282 -1.440 -1.749) 2.283 9.149 ( 1.350 2.688 -0.057) 3.008 9.360 ( -4.127 3.532 0.156) 5.434 9.755 ( 10.445 11.147 2.440) 15.470 11.692 ( -10.568 -4.315 -4.950) 12.442 12.426 ( 2.179 -1.172 0.107) 2.476 12.600 ( -3.546 -1.250 -0.128) 3.763 12.641 ( 3.725 0.738 0.156) 3.800 12.816 ( -1.842 0.720 -0.180) 1.985 13.387 ( -0.797 1.873 0.153) 2.041 14.521 ( -33.902 -1.036 -6.419) 34.520 15.288 ( -1.632 2.278 -0.218) 2.810 15.332 ( -4.252 1.137 1.813) 4.760 17.129 ( -0.739 1.001 0.569) 1.368 17.157 ( -0.422 1.361 -2.158) 2.586 17.263 ( 1.033 -0.280 0.171) 1.084 17.315 ( -1.456 -0.811 -0.276) 1.690 17.346 ( 0.951 -0.025 -0.370) 1.021 17.416 ( 0.040 -1.883 0.198) 1.893 17.616 ( 7.223 -1.499 0.510) 7.394 17.824 ( -0.145 0.130 0.171) 0.259 19.860 ( -1.337 0.564 2.800) 3.154 20.487 ( -10.028 -3.285 -2.479) 10.839 20.622 ( -0.810 -1.696 0.165) 1.887 20.713 ( -6.750 -6.636 -7.066) 11.812 27.088 ( 1.288 0.170 -0.269) 1.327 27.196 ( -1.589 -0.088 0.104) 1.595 27.612 ( -0.057 0.634 0.669) 0.923 27.644 ( -0.148 0.273 -1.158) 1.199 30.449 ( 2.915 -3.008 1.148) 4.343 30.632 ( -0.727 -1.741 -0.865) 2.076 33.269 ( -0.391 -0.855 4.027) 4.135 33.342 ( 0.250 -3.099 -1.589) 3.491 33.804 ( -2.005 -1.556 4.917) 5.533 33.918 ( 0.538 -3.819 -6.052) 7.176 34.287 ( 1.745 3.740 -0.243) 4.134 34.575 ( -5.746 6.001 -1.265) 8.404 34.954 ( 3.981 6.017 5.697) 9.192 35.237 ( 1.028 3.039 -5.579) 6.436 35.818 ( 4.502 -2.662 1.920) 5.571 36.085 ( 2.050 0.557 -0.661) 2.225 40.319 ( -4.870 13.820 30.853) 34.156 41.162 ( 14.065 8.495 -37.880) 41.290 46.253 ( -0.735 2.005 0.619) 2.224 46.332 ( -1.361 1.531 -2.193) 3.001 ======================= Grid point 173 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -15.734 -1.906 9.981) 18.730 1.031 ( -0.775 9.577 -0.143) 9.610 1.322 ( 7.268 11.950 2.735) 14.252 1.625 ( -0.882 1.384 -9.597) 9.736 1.798 ( -1.968 1.570 5.570) 6.113 2.041 ( -8.186 -1.839 -3.878) 9.243 2.115 ( 2.688 2.361 10.070) 10.686 2.201 ( 4.515 5.521 -1.999) 7.407 2.404 ( 2.194 -3.740 1.593) 4.619 2.553 ( -7.133 4.782 -5.078) 9.977 2.618 ( 1.865 -1.855 -6.166) 6.703 2.718 ( 4.435 -0.551 7.701) 8.903 2.741 ( -2.847 -0.570 -5.226) 5.978 2.891 ( 1.217 -1.987 5.303) 5.793 2.943 ( 4.747 4.398 -5.443) 8.456 3.020 ( 4.015 1.842 -1.625) 4.707 3.108 ( -1.461 1.237 -0.370) 1.950 3.185 ( -3.774 6.448 3.036) 8.065 3.214 ( 0.282 1.597 -4.187) 4.491 3.271 ( -0.507 0.042 -5.817) 5.839 3.346 ( 1.535 -0.916 1.596) 2.397 3.378 ( -0.953 -0.105 0.122) 0.967 3.480 ( 2.170 4.909 -2.502) 5.922 3.563 ( 2.551 1.116 -0.635) 2.856 3.612 ( 2.099 -2.274 -3.347) 4.558 3.674 ( -0.206 -4.141 -0.296) 4.157 3.732 ( 6.740 -3.546 -0.412) 7.627 3.832 ( -4.652 -3.038 5.524) 7.835 3.919 ( 2.528 1.027 -1.309) 3.026 4.044 ( -2.731 4.106 -2.680) 5.613 4.166 ( 0.879 0.519 1.341) 1.686 4.215 ( 0.477 -0.282 2.656) 2.713 4.261 ( -0.142 2.733 1.680) 3.211 4.292 ( -4.086 -0.843 0.021) 4.172 4.527 ( 5.007 -4.356 -0.721) 6.676 4.547 ( -0.499 2.428 3.599) 4.371 4.758 ( 2.204 1.233 -2.314) 3.425 4.837 ( 5.336 -1.732 4.336) 7.090 4.992 ( -3.172 0.316 1.497) 3.522 5.224 ( -5.671 -13.060 -0.503) 14.247 9.107 ( 3.936 3.499 -0.075) 5.267 9.248 ( -4.448 4.284 0.499) 6.196 9.571 ( 19.369 19.833 1.867) 27.785 11.562 ( -34.634 2.556 -13.399) 37.223 12.477 ( 3.353 -1.848 0.137) 3.831 12.599 ( -2.993 -1.264 -0.073) 3.250 12.650 ( 2.994 1.064 0.341) 3.195 12.778 ( -2.932 1.247 -0.402) 3.212 13.343 ( -0.505 1.963 0.053) 2.027 14.144 ( -51.514 5.445 -11.905) 53.151 15.233 ( -1.165 2.187 0.375) 2.507 15.268 ( -3.046 2.396 0.479) 3.905 17.110 ( -0.454 0.372 0.052) 0.589 17.128 ( -0.752 0.512 -1.771) 1.991 17.277 ( 0.954 -0.233 0.187) 1.000 17.320 ( -1.154 -0.601 -0.384) 1.357 17.352 ( 1.960 0.403 0.048) 2.001 17.435 ( -1.663 -0.817 -0.442) 1.905 17.718 ( 7.053 -2.672 0.505) 7.559 17.824 ( 0.042 -0.231 0.085) 0.250 19.821 ( -0.173 3.446 2.793) 4.439 20.431 ( -20.197 -1.410 -10.595) 22.851 20.648 ( 0.243 -1.267 -0.602) 1.423 20.713 ( -9.876 -1.370 -6.262) 11.774 27.106 ( 2.557 -0.658 -0.247) 2.652 27.185 ( -1.914 -0.082 0.167) 1.923 27.600 ( 0.047 0.684 0.508) 0.853 27.632 ( -0.360 0.598 -1.484) 1.640 30.537 ( 2.603 -3.082 2.454) 4.722 30.660 ( -0.313 -1.780 -1.998) 2.694 33.293 ( -1.083 -1.220 5.592) 5.825 33.408 ( 0.897 -3.517 -3.885) 5.317 33.842 ( -3.479 -3.270 8.163) 9.457 33.987 ( 1.706 -3.136 -6.920) 7.786 34.223 ( 2.623 4.131 -0.281) 4.901 34.399 ( -5.531 6.861 -2.412) 9.137 34.866 ( 3.870 6.678 7.820) 10.987 35.149 ( 1.048 5.938 -7.574) 9.681 35.920 ( 5.416 -3.381 3.019) 7.063 36.104 ( 2.526 -1.142 -2.308) 3.607 40.040 ( -3.790 15.949 30.347) 34.492 40.937 ( 13.830 19.113 -43.972) 49.901 46.206 ( -0.801 2.191 0.496) 2.385 46.273 ( -2.441 2.542 -2.529) 4.338 ======================= Grid point 174 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 7.795 4.091 16.032) 18.290 1.010 ( 5.430 7.114 23.013) 24.692 1.329 ( -4.092 -9.271 -6.061) 11.808 1.572 ( -0.368 2.283 -17.416) 17.569 1.803 ( -0.884 1.646 24.173) 24.245 1.932 ( -8.783 1.394 6.136) 10.805 2.104 ( 4.915 -0.356 -10.788) 11.861 2.244 ( 2.172 -2.497 5.586) 6.493 2.406 ( -10.823 -1.594 -13.203) 17.147 2.475 ( 1.158 -0.958 -2.552) 2.962 2.630 ( 4.699 3.344 -0.378) 5.779 2.688 ( 2.128 0.824 5.065) 5.555 2.738 ( -3.616 1.357 0.283) 3.872 2.854 ( 1.236 5.247 -6.096) 8.137 2.942 ( 2.907 2.665 0.858) 4.036 3.006 ( -2.137 2.198 -1.192) 3.289 3.057 ( 2.287 0.791 -3.721) 4.439 3.080 ( -0.538 2.742 2.437) 3.708 3.164 ( -4.237 5.117 -6.567) 9.342 3.206 ( 1.018 3.810 -7.189) 8.200 3.353 ( 1.742 -0.876 -1.047) 2.213 3.363 ( -4.100 -2.135 1.657) 4.911 3.454 ( 4.301 0.615 4.324) 6.130 3.551 ( -1.197 1.659 0.199) 2.056 3.609 ( 4.795 2.827 -2.735) 6.202 3.763 ( -5.012 -7.846 -5.593) 10.861 3.807 ( 6.761 3.743 4.520) 8.953 3.883 ( 2.777 -2.479 1.191) 3.908 3.936 ( 0.373 -0.583 -0.854) 1.100 3.961 ( -0.219 1.575 -2.562) 3.015 4.172 ( 1.480 0.392 1.632) 2.238 4.191 ( 2.050 1.561 4.053) 4.803 4.264 ( -1.740 -2.076 0.675) 2.792 4.310 ( -3.533 -2.223 0.765) 4.243 4.492 ( -0.565 1.178 -2.487) 2.809 4.504 ( -2.544 5.608 0.143) 6.159 4.821 ( 5.590 -2.004 -0.996) 6.021 4.880 ( -2.220 0.523 0.070) 2.282 5.185 ( 17.995 -16.476 5.843) 25.088 5.440 ( -8.171 -13.297 5.113) 16.423 9.077 ( 9.062 4.691 0.918) 10.245 9.146 ( -3.022 2.943 0.424) 4.239 9.300 ( 23.074 23.880 2.261) 33.284 10.773 ( -95.635 29.599 -30.516) 104.658 12.544 ( 4.141 -1.974 -0.153) 4.590 12.601 ( -2.683 -1.074 0.137) 2.893 12.646 ( 2.121 1.342 0.837) 2.646 12.724 ( -3.573 1.503 -0.882) 3.975 13.309 ( -0.532 1.008 -0.173) 1.153 13.576 ( -36.940 11.070 -9.370) 39.685 15.190 ( -0.964 1.477 0.829) 1.949 15.209 ( -0.778 1.875 -0.641) 2.129 17.113 ( 0.388 -0.751 -0.181) 0.865 17.124 ( -0.823 -0.725 -0.433) 1.179 17.284 ( 1.074 0.337 0.134) 1.134 17.316 ( -1.610 -0.124 -0.737) 1.775 17.368 ( 2.655 -0.184 0.816) 2.783 17.424 ( -2.330 0.179 -0.697) 2.438 17.805 ( 3.328 -1.755 0.360) 3.780 17.832 ( 0.528 -0.343 -0.250) 0.677 19.743 ( 1.924 4.991 2.205) 5.786 20.109 ( -29.549 10.677 -15.511) 35.039 20.667 ( -2.993 -0.302 1.467) 3.347 20.674 ( 1.595 -0.552 -1.537) 2.283 27.144 ( 2.517 -1.003 -0.136) 2.713 27.173 ( -1.545 -0.071 0.241) 1.565 27.590 ( 0.074 0.416 0.364) 0.558 27.611 ( -0.612 0.874 -1.218) 1.620 30.600 ( 0.082 -1.514 4.213) 4.478 30.690 ( 1.503 -1.320 -3.801) 4.295 33.317 ( -1.580 -1.010 6.757) 7.012 33.465 ( 1.007 -2.274 -6.088) 6.576 33.906 ( -3.316 -4.302 6.982) 8.846 34.020 ( 2.125 0.521 -5.650) 6.059 34.184 ( 2.614 1.617 -0.279) 3.086 34.242 ( -3.953 4.473 -1.097) 6.070 34.809 ( 3.155 2.707 5.672) 7.032 34.992 ( -0.635 8.646 -6.638) 10.919 36.036 ( 3.895 -4.177 2.974) 6.439 36.145 ( 0.957 -1.365 -3.252) 3.655 39.823 ( -4.503 6.024 23.090) 24.284 40.451 ( 5.697 29.839 -35.702) 46.877 46.165 ( -0.867 1.277 0.402) 1.596 46.197 ( -2.227 2.656 -1.693) 3.858 ======================= Grid point 176 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -7.873 -0.000 -3.845) 8.762 1.196 ( 5.422 0.000 16.675) 17.535 1.264 ( -3.647 -0.000 -18.044) 18.409 1.324 ( -3.511 -0.000 1.557) 3.841 1.785 ( -8.449 -0.000 10.976) 13.851 2.024 ( 11.159 0.000 28.483) 30.591 2.175 ( 1.708 0.000 -6.052) 6.289 2.305 ( 1.272 0.000 -2.794) 3.070 2.320 ( -3.059 -0.000 -19.546) 19.783 2.457 ( 5.248 0.000 9.657) 10.991 2.509 ( -8.483 -0.000 -3.501) 9.177 2.661 ( 0.534 0.000 3.180) 3.225 2.674 ( 3.606 0.000 4.912) 6.094 2.850 ( 0.629 0.000 -6.733) 6.762 2.926 ( -1.323 -0.000 -2.794) 3.091 2.929 ( 0.919 0.000 -1.582) 1.830 2.998 ( 1.794 0.000 0.010) 1.794 3.027 ( -0.932 -0.000 1.876) 2.094 3.094 ( 2.419 0.000 -1.060) 2.641 3.212 ( 2.602 0.000 -5.862) 6.413 3.305 ( -0.090 -0.000 1.889) 1.891 3.435 ( -0.186 -0.000 0.310) 0.361 3.455 ( -1.115 -0.000 -0.434) 1.197 3.475 ( -3.069 -0.000 -3.017) 4.303 3.654 ( -6.403 -0.000 0.085) 6.404 3.745 ( -4.549 -0.000 0.343) 4.561 3.810 ( -1.324 -0.000 1.773) 2.213 3.893 ( 2.549 0.000 -3.858) 4.624 3.960 ( -1.424 -0.000 -2.872) 3.206 3.969 ( 3.881 0.000 -2.140) 4.432 4.163 ( -0.655 -0.000 1.448) 1.589 4.204 ( -3.300 -0.000 -1.761) 3.741 4.295 ( 1.338 0.000 2.421) 2.766 4.363 ( 6.241 0.000 2.096) 6.584 4.425 ( -0.772 -0.000 -3.298) 3.387 4.467 ( 1.315 0.000 2.873) 3.160 4.828 ( -2.725 -0.000 -0.960) 2.889 4.873 ( -0.850 -0.000 -0.188) 0.871 5.257 ( -17.649 -0.000 5.968) 18.630 5.505 ( -32.812 -0.000 -1.521) 32.847 9.129 ( 3.064 0.000 0.040) 3.065 9.135 ( 3.432 0.000 -0.021) 3.432 9.635 ( 91.087 0.000 -27.133) 95.043 10.372 ( 84.884 0.000 37.255) 92.700 12.521 ( -4.321 -0.000 0.679) 4.374 12.591 ( -3.604 -0.000 -0.690) 3.670 12.695 ( 4.401 0.000 -1.155) 4.550 12.712 ( 3.756 0.000 1.088) 3.910 13.397 ( 22.806 0.000 -3.076) 23.012 13.532 ( 28.288 0.000 6.703) 29.071 15.180 ( 1.270 0.000 0.696) 1.448 15.205 ( 2.116 0.000 -0.718) 2.234 17.105 ( -1.758 -0.000 0.419) 1.807 17.143 ( 0.654 0.000 -0.011) 0.654 17.276 ( -1.189 -0.000 -0.575) 1.321 17.314 ( 1.132 0.000 0.657) 1.309 17.335 ( -4.238 -0.000 1.261) 4.421 17.428 ( 1.402 0.000 0.457) 1.475 17.792 ( -4.236 -0.000 0.291) 4.246 17.835 ( -1.685 -0.000 -0.892) 1.907 19.720 ( 10.666 0.000 -0.694) 10.688 19.939 ( 19.251 0.000 10.619) 21.985 20.637 ( -1.633 -0.000 1.654) 2.324 20.728 ( 3.426 0.000 -1.620) 3.790 27.134 ( -2.536 -0.000 0.256) 2.549 27.182 ( 0.140 0.000 -0.177) 0.226 27.584 ( -0.261 -0.000 0.186) 0.321 27.592 ( 0.244 0.000 0.444) 0.507 30.599 ( -2.844 -0.000 4.280) 5.139 30.713 ( 0.675 0.000 -4.633) 4.682 33.333 ( -1.400 -0.000 7.939) 8.061 33.474 ( 1.041 0.000 -6.324) 6.409 33.915 ( -3.569 -0.000 2.898) 4.597 34.016 ( 2.493 0.000 -0.580) 2.560 34.164 ( -1.363 -0.000 0.339) 1.405 34.215 ( 2.012 0.000 -0.996) 2.245 34.777 ( -5.823 -0.000 1.715) 6.071 34.858 ( 1.296 0.000 0.595) 1.427 35.958 ( -13.110 -0.000 4.844) 13.976 36.152 ( -2.113 -0.000 -0.118) 2.117 39.562 ( -18.472 -0.000 17.327) 25.327 40.096 ( 4.497 0.000 -5.803) 7.341 46.161 ( 2.395 0.000 -0.020) 2.395 46.178 ( 2.268 0.000 0.113) 2.271 ======================= Grid point 177 (81/115) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -6.365 10.834 -0.208) 12.567 1.123 ( -4.065 -8.421 -2.452) 9.667 1.361 ( 9.208 -2.777 4.510) 10.622 1.441 ( 1.420 -6.162 -9.362) 11.298 1.737 ( -5.825 1.015 9.366) 11.076 2.087 ( -2.266 -1.137 -3.483) 4.308 2.182 ( -0.166 -1.881 -1.741) 2.569 2.269 ( 12.130 2.845 8.190) 14.911 2.410 ( 0.238 -0.236 -5.724) 5.734 2.451 ( 4.868 -1.382 3.363) 6.076 2.566 ( -0.697 -9.500 -1.789) 9.692 2.687 ( -0.160 -1.009 2.656) 2.846 2.752 ( -3.168 -0.105 6.672) 7.386 2.786 ( -1.492 1.814 -3.701) 4.383 2.904 ( 2.014 -0.821 -2.703) 3.470 2.967 ( -4.048 1.541 -1.297) 4.522 3.048 ( -2.221 -7.447 -0.246) 7.775 3.060 ( 0.425 -2.111 3.946) 4.495 3.157 ( 3.566 -3.785 2.282) 5.679 3.224 ( 2.356 0.577 -6.904) 7.318 3.333 ( 2.267 -1.120 -0.816) 2.657 3.395 ( -1.898 0.154 -0.682) 2.023 3.445 ( -1.800 -1.940 -0.435) 2.682 3.513 ( -2.933 0.951 -1.594) 3.471 3.532 ( -4.857 0.501 -1.266) 5.044 3.732 ( -2.002 1.361 0.690) 2.517 3.760 ( 1.900 4.038 2.387) 5.062 3.875 ( -3.344 1.142 -1.065) 3.690 3.935 ( -0.474 -1.349 -3.886) 4.140 4.027 ( 3.195 -0.189 -1.555) 3.559 4.158 ( -1.651 0.487 0.688) 1.854 4.216 ( -2.507 -4.056 -2.894) 5.578 4.281 ( 0.867 1.673 2.040) 2.777 4.337 ( 2.451 4.341 4.001) 6.392 4.434 ( 0.009 -1.003 2.697) 2.878 4.569 ( 1.779 -6.471 -2.225) 7.070 4.730 ( -4.643 4.546 -0.020) 6.498 4.872 ( -5.270 1.001 -0.422) 5.381 5.040 ( -5.620 3.274 0.676) 6.540 5.372 ( -21.406 -0.528 1.405) 21.459 9.135 ( 5.160 1.528 -0.030) 5.381 9.215 ( 4.923 -3.594 -0.308) 6.103 9.719 ( 74.214 27.892 -6.140) 79.520 11.443 ( 40.488 -19.500 6.897) 45.465 12.481 ( -3.411 1.017 0.374) 3.579 12.574 ( -4.102 -1.217 -0.692) 4.335 12.694 ( 4.228 2.095 -0.126) 4.720 12.768 ( 3.055 -1.543 0.149) 3.426 13.431 ( 20.152 7.464 -0.019) 21.490 14.182 ( 57.764 -18.842 1.925) 60.790 15.199 ( 1.436 -1.041 0.639) 1.885 15.263 ( 4.493 -3.364 -0.999) 5.701 17.088 ( -1.329 0.129 0.619) 1.472 17.133 ( 0.639 1.069 0.351) 1.294 17.274 ( -0.540 -0.381 -0.177) 0.684 17.305 ( -3.982 -0.503 1.175) 4.182 17.329 ( 1.134 0.106 0.516) 1.251 17.439 ( 0.728 -0.140 0.542) 0.919 17.729 ( -6.283 2.441 -0.514) 6.760 17.819 ( -2.207 -0.193 -0.491) 2.269 19.811 ( 12.660 -0.397 -0.587) 12.679 20.334 ( 26.650 -13.596 7.747) 30.904 20.619 ( -1.631 0.729 1.681) 2.453 20.750 ( 5.866 0.560 -1.208) 6.015 27.099 ( -2.696 1.126 0.241) 2.932 27.190 ( 0.173 -0.665 -0.103) 0.695 27.590 ( -0.033 -0.561 0.215) 0.602 27.605 ( 0.348 -0.873 0.087) 0.944 30.564 ( -3.407 1.900 3.156) 5.017 30.701 ( 0.597 0.725 -3.890) 4.001 33.322 ( -1.589 1.354 7.603) 7.884 33.454 ( 1.212 1.814 -5.927) 6.316 33.862 ( -2.384 2.474 7.372) 8.133 34.083 ( 4.041 -2.044 -5.037) 6.773 34.128 ( -2.679 -0.348 0.945) 2.862 34.296 ( 3.535 -4.872 -0.413) 6.034 34.801 ( -7.016 -6.290 -0.475) 9.435 34.921 ( 0.348 -5.263 1.533) 5.493 35.854 ( -11.359 1.624 6.255) 13.069 36.114 ( -4.387 0.808 -1.612) 4.743 39.647 ( -14.121 -16.802 24.922) 33.209 40.317 ( -0.815 -19.203 -16.844) 25.556 46.184 ( 2.214 -0.786 0.001) 2.350 46.229 ( 2.964 -2.385 -0.070) 3.805 ======================= Grid point 178 (82/115) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 9.070 -8.379 7.936) 14.678 1.234 ( 6.590 0.600 2.423) 7.047 1.477 ( 0.615 -8.706 -7.130) 11.269 1.589 ( 4.313 -6.864 5.635) 9.873 1.730 ( 2.086 -2.463 -5.064) 6.005 2.133 ( -3.265 0.622 -3.444) 4.786 2.185 ( 0.798 -4.413 0.190) 4.489 2.284 ( 1.354 -0.025 -4.048) 4.268 2.443 ( 3.743 1.398 -1.539) 4.282 2.510 ( 2.975 0.726 -0.923) 3.199 2.642 ( -2.819 2.526 7.455) 8.361 2.664 ( -0.799 -0.731 -5.471) 5.578 2.763 ( -1.764 -1.638 -0.534) 2.466 2.795 ( 1.028 -3.148 2.611) 4.218 2.874 ( -6.607 -1.772 -4.940) 8.438 2.985 ( 0.107 -2.939 -0.414) 2.970 3.100 ( -2.629 -1.948 1.556) 3.623 3.175 ( 0.612 -0.763 0.997) 1.396 3.208 ( 2.362 -0.868 4.229) 4.922 3.245 ( -1.403 -3.933 5.322) 6.765 3.307 ( 1.574 2.137 -0.423) 2.688 3.401 ( -4.913 -0.045 -1.636) 5.178 3.444 ( 2.091 1.755 -1.426) 3.080 3.526 ( -3.035 -1.037 -0.190) 3.213 3.534 ( 3.231 -5.502 -0.596) 6.408 3.641 ( -4.607 6.240 -1.153) 7.842 3.680 ( 0.243 1.305 -0.129) 1.333 3.866 ( -3.021 -1.586 -1.597) 3.767 3.985 ( 4.302 -0.922 -0.157) 4.402 4.050 ( 1.888 -2.472 0.511) 3.152 4.110 ( -3.655 4.312 1.893) 5.961 4.247 ( 1.216 2.542 -1.194) 3.060 4.276 ( -0.150 -3.400 0.619) 3.459 4.328 ( -0.067 -3.500 1.813) 3.942 4.476 ( -0.190 0.585 2.097) 2.186 4.548 ( -5.259 1.223 -2.100) 5.794 4.742 ( 1.754 -4.188 -0.735) 4.599 4.820 ( -5.777 -2.056 -2.944) 6.803 5.001 ( -5.258 2.075 3.932) 6.886 5.172 ( -8.048 6.419 -2.123) 10.511 9.153 ( 6.370 1.030 -0.172) 6.455 9.326 ( 4.490 -3.673 -0.043) 5.801 9.828 ( 52.594 11.102 -0.568) 53.756 11.754 ( 8.877 0.321 1.769) 9.057 12.438 ( -2.124 1.195 -0.064) 2.438 12.567 ( -4.440 -1.447 -0.320) 4.681 12.684 ( 4.297 2.138 -0.013) 4.799 12.810 ( 1.746 -0.974 0.053) 2.000 13.454 ( 16.188 4.526 0.411) 16.814 14.730 ( 35.187 -0.047 -0.703) 35.194 15.244 ( 1.771 -1.992 0.776) 2.777 15.383 ( 8.758 -2.713 -1.694) 9.324 17.094 ( -0.507 -1.284 0.985) 1.695 17.129 ( 0.882 -0.145 0.327) 0.952 17.267 ( -1.840 0.416 -0.382) 1.925 17.298 ( -2.003 -0.957 1.679) 2.783 17.334 ( 1.188 0.327 0.124) 1.238 17.438 ( -0.637 0.670 0.389) 1.003 17.620 ( -6.229 2.730 -1.034) 6.879 17.811 ( -2.093 -0.700 -0.170) 2.213 19.907 ( 11.025 0.439 0.009) 11.034 20.574 ( 2.083 1.415 0.521) 2.571 20.628 ( 6.614 0.042 1.275) 6.736 20.809 ( 13.968 3.750 2.839) 14.738 27.071 ( -1.055 0.069 0.317) 1.104 27.204 ( 0.403 -0.405 -0.014) 0.572 27.604 ( 0.092 -0.775 0.314) 0.841 27.624 ( 0.299 -0.695 -0.272) 0.804 30.492 ( -2.773 3.140 1.320) 4.392 30.678 ( 0.143 1.513 -2.329) 2.781 33.290 ( -1.875 1.662 6.405) 6.877 33.403 ( 0.971 3.114 -4.514) 5.569 33.826 ( -0.839 1.571 7.799) 8.000 34.041 ( 2.647 4.870 -5.843) 8.054 34.205 ( -0.069 -5.193 -2.250) 5.660 34.445 ( 4.561 -7.169 1.496) 8.628 34.880 ( -6.483 -6.679 -1.688) 9.459 35.051 ( -1.018 -7.551 1.147) 7.705 35.762 ( -8.320 1.069 5.524) 10.044 36.070 ( -4.218 -0.351 -2.185) 4.764 39.997 ( -11.514 -21.490 30.411) 38.977 40.659 ( -1.985 -19.961 -27.050) 33.676 46.225 ( 1.892 -1.701 0.102) 2.546 46.295 ( 2.136 -2.202 -0.353) 3.088 ======================= Grid point 179 (83/115) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 10.503 0.172 5.105) 11.680 1.336 ( 10.642 -7.337 -1.285) 12.990 1.621 ( -2.299 -4.763 10.748) 11.979 1.762 ( 5.781 -5.441 -5.584) 9.707 1.873 ( 4.723 -9.810 -4.799) 11.899 2.078 ( -1.552 0.347 -0.220) 1.605 2.165 ( 3.050 4.036 -0.896) 5.137 2.339 ( 2.867 7.614 -9.204) 12.284 2.420 ( -4.894 -4.049 -1.481) 6.522 2.472 ( 2.577 -1.118 -0.575) 2.868 2.600 ( 4.984 2.000 -1.964) 5.719 2.665 ( -1.212 -0.318 -0.285) 1.285 2.751 ( -5.185 -0.974 -0.812) 5.338 2.867 ( -3.452 -4.111 0.918) 5.446 2.913 ( -6.376 -4.077 -4.374) 8.742 2.996 ( -2.136 0.889 0.412) 2.350 3.073 ( -0.924 -0.524 3.233) 3.403 3.172 ( -1.001 1.369 2.123) 2.717 3.211 ( -0.055 2.795 1.152) 3.023 3.258 ( 0.253 -3.149 1.102) 3.346 3.321 ( 1.035 3.672 3.380) 5.097 3.365 ( -2.333 4.474 -3.313) 6.036 3.446 ( -0.521 -3.600 5.009) 6.191 3.523 ( -1.617 -0.133 0.088) 1.625 3.536 ( -2.004 -1.973 -1.331) 3.112 3.668 ( 4.854 -3.523 -0.939) 6.070 3.704 ( 2.359 -0.745 -0.102) 2.476 3.879 ( -2.214 -2.994 -3.367) 5.020 3.944 ( -5.085 7.906 4.762) 10.537 4.039 ( 4.924 -1.299 -0.910) 5.173 4.129 ( 0.502 -3.184 1.472) 3.543 4.220 ( -0.703 0.699 -0.955) 1.377 4.356 ( 0.883 -2.665 1.604) 3.234 4.371 ( -2.644 3.066 -1.738) 4.405 4.407 ( 0.583 -2.447 -0.972) 2.697 4.601 ( -2.521 -5.639 0.501) 6.197 4.782 ( -3.397 2.568 0.540) 4.292 4.821 ( -12.199 3.345 3.461) 13.114 4.846 ( 2.167 -2.200 -1.898) 3.625 5.105 ( 0.508 0.159 -2.100) 2.167 9.186 ( 5.110 0.252 -0.206) 5.120 9.409 ( 1.827 -2.127 0.230) 2.813 10.016 ( 43.155 7.831 1.144) 43.875 11.723 ( -0.548 4.322 0.319) 4.368 12.408 ( -0.610 0.718 -0.172) 0.957 12.559 ( -4.746 -1.278 -0.103) 4.917 12.678 ( 4.594 1.844 0.030) 4.950 12.831 ( 0.381 -0.366 0.007) 0.528 13.491 ( 13.895 3.706 0.084) 14.381 14.812 ( 10.689 7.037 -1.338) 12.868 15.294 ( 1.064 -1.718 0.748) 2.155 15.432 ( 1.902 1.775 -1.155) 2.846 17.125 ( -0.440 -1.771 1.041) 2.101 17.149 ( 0.535 -1.077 -0.007) 1.203 17.243 ( -2.731 -0.311 0.081) 2.750 17.304 ( -1.283 -0.317 1.236) 1.809 17.336 ( 1.097 0.301 -0.232) 1.161 17.400 ( -2.506 1.532 -0.560) 2.990 17.563 ( 0.013 0.452 -0.285) 0.534 17.812 ( -1.912 -0.928 -0.027) 2.126 19.945 ( 9.185 3.432 0.727) 9.832 20.546 ( -1.561 1.180 1.206) 2.299 20.638 ( 2.185 1.508 -0.990) 2.833 20.728 ( 5.005 10.775 1.954) 12.040 27.079 ( 1.014 -0.570 0.315) 1.205 27.209 ( 0.034 0.085 0.037) 0.099 27.619 ( 0.026 -0.520 0.659) 0.840 27.636 ( 0.247 -0.489 -0.548) 0.775 30.421 ( -0.674 2.597 0.565) 2.742 30.638 ( -1.052 1.723 -1.398) 2.456 33.261 ( -1.636 0.933 4.666) 5.032 33.342 ( 0.566 2.872 -2.405) 3.788 33.808 ( -0.221 1.144 5.044) 5.177 33.949 ( 2.482 5.105 -6.089) 8.324 34.289 ( 0.801 -3.563 -1.700) 4.028 34.616 ( 1.547 -6.366 1.731) 6.776 34.952 ( -1.718 -4.530 -0.411) 4.862 35.179 ( -1.672 -6.134 -0.774) 6.405 35.713 ( -4.591 -0.262 4.440) 6.392 36.060 ( -3.327 -1.719 -1.787) 4.149 40.335 ( -9.923 -14.845 31.285) 36.022 40.946 ( 1.846 -15.032 -30.348) 33.917 46.270 ( 1.434 -1.401 0.301) 2.027 46.340 ( 0.889 -1.345 -0.761) 1.782 ======================= Grid point 180 (84/115) ======================= q-point: ( 0.56 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.279 5.140 4.159) 7.876 1.469 ( 3.375 -0.078 -7.497) 8.222 1.711 ( 0.966 -3.946 5.146) 6.556 1.814 ( 2.310 1.179 -4.762) 5.423 2.002 ( 1.389 -1.402 2.717) 3.358 2.123 ( 2.761 1.311 -5.876) 6.624 2.162 ( 2.817 1.092 3.165) 4.376 2.219 ( 1.963 2.583 -6.697) 7.441 2.361 ( 3.526 0.282 -0.547) 3.579 2.521 ( -1.484 4.506 -2.500) 5.363 2.624 ( -3.339 -4.402 2.834) 6.210 2.691 ( 4.935 -1.149 -2.052) 5.467 2.797 ( -3.185 1.851 -0.634) 3.738 2.815 ( -3.230 -6.990 -3.196) 8.337 2.946 ( -1.034 -1.378 2.630) 3.144 2.999 ( -2.765 -2.394 -3.619) 5.145 3.089 ( -2.229 -1.257 4.692) 5.345 3.134 ( -1.443 0.583 -1.236) 1.988 3.153 ( 1.133 2.241 0.057) 2.512 3.282 ( 1.185 0.181 0.366) 1.254 3.320 ( 1.232 0.378 0.429) 1.358 3.339 ( -2.639 -4.739 -1.592) 5.653 3.480 ( 0.647 0.105 3.023) 3.093 3.522 ( -1.771 0.056 2.582) 3.131 3.564 ( 0.721 -0.544 -2.621) 2.772 3.691 ( 0.900 2.151 0.744) 2.448 3.761 ( -0.295 -1.372 4.060) 4.295 3.781 ( -0.722 4.091 1.334) 4.363 3.923 ( -1.894 -2.950 -3.193) 4.742 4.089 ( 5.359 0.227 -0.752) 5.416 4.154 ( -2.987 1.006 0.298) 3.166 4.205 ( 0.357 -0.046 -0.124) 0.381 4.331 ( -0.979 -1.745 -1.174) 2.320 4.379 ( -0.502 1.107 1.062) 1.614 4.436 ( -1.173 -0.197 0.601) 1.333 4.619 ( -8.069 0.974 1.881) 8.343 4.722 ( -0.511 -3.311 3.126) 4.582 4.779 ( -5.064 -2.102 -2.599) 6.068 4.900 ( 3.787 -0.493 -0.375) 3.837 5.101 ( -0.889 0.122 -0.971) 1.322 9.211 ( 3.935 0.749 -0.113) 4.007 9.428 ( -2.080 0.163 0.049) 2.087 10.162 ( 41.042 10.234 2.762) 42.389 11.626 ( -6.302 2.295 -1.388) 6.849 12.403 ( 0.962 -0.048 -0.093) 0.967 12.546 ( -4.775 -1.176 -0.105) 4.919 12.684 ( 4.805 1.313 0.115) 4.982 12.831 ( -0.969 0.118 -0.059) 0.978 13.510 ( 12.290 4.564 -0.126) 13.111 14.648 ( -12.138 8.540 -1.779) 14.947 15.325 ( -0.258 -0.931 0.511) 1.093 15.377 ( -3.360 2.056 -0.120) 3.941 17.147 ( -0.647 -0.549 1.347) 1.592 17.175 ( 0.025 -1.268 -0.960) 1.591 17.245 ( -1.105 -1.097 0.123) 1.562 17.290 ( -2.465 0.100 -0.437) 2.505 17.338 ( 0.011 0.036 0.390) 0.391 17.369 ( 0.047 0.174 -0.521) 0.552 17.587 ( 5.008 -0.518 0.401) 5.051 17.814 ( -2.041 -0.767 0.067) 2.182 19.929 ( 6.824 4.228 2.076) 8.292 20.471 ( -8.882 3.865 0.315) 9.692 20.581 ( 0.564 2.254 0.972) 2.519 20.641 ( 2.339 1.013 -2.236) 3.391 27.098 ( 1.844 -0.002 0.167) 1.851 27.201 ( -0.884 0.364 0.042) 0.957 27.625 ( -0.128 -0.042 0.922) 0.932 27.645 ( 0.245 -0.282 -0.805) 0.887 30.395 ( 1.983 0.571 0.617) 2.154 30.600 ( -2.184 0.531 -1.004) 2.461 33.251 ( -0.694 -0.203 2.635) 2.733 33.299 ( -0.144 1.394 -0.128) 1.407 33.799 ( 0.495 0.285 0.807) 0.988 33.871 ( 0.803 3.042 -3.364) 4.606 34.346 ( 2.260 -1.179 -0.309) 2.567 34.679 ( -5.451 -1.384 0.296) 5.631 35.034 ( 4.956 -2.091 0.773) 5.434 35.250 ( -1.896 -2.803 -1.975) 3.918 35.725 ( 0.172 -1.983 4.206) 4.654 36.070 ( -2.768 -1.783 -1.741) 3.725 40.515 ( -8.110 -4.966 30.113) 31.578 41.152 ( 6.254 -8.474 -30.957) 32.700 46.295 ( 0.755 -0.100 0.659) 1.007 46.357 ( -0.049 -0.302 -1.372) 1.405 ======================= Grid point 181 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.939 8.572 5.247) 10.094 1.402 ( -4.548 4.386 -11.607) 13.216 1.758 ( 1.412 2.702 0.528) 3.094 1.799 ( -0.357 -0.342 -2.325) 2.376 1.972 ( -4.620 11.236 -2.301) 12.364 1.998 ( -2.125 0.510 0.226) 2.197 2.138 ( 7.530 3.009 3.737) 8.929 2.250 ( 7.806 1.333 -5.081) 9.409 2.403 ( 2.687 -1.867 -1.566) 3.627 2.439 ( -3.872 -1.560 -2.063) 4.656 2.676 ( -1.042 -3.217 1.465) 3.685 2.701 ( 2.442 1.910 -2.271) 3.843 2.810 ( 2.521 0.124 -0.256) 2.538 2.872 ( -4.394 0.158 2.678) 5.148 2.969 ( -0.299 -2.204 -0.382) 2.256 3.045 ( 1.929 -3.765 0.580) 4.270 3.121 ( 0.682 0.982 -2.197) 2.501 3.148 ( 2.647 -3.116 0.902) 4.187 3.180 ( -5.528 -5.211 -2.095) 7.880 3.271 ( -1.225 0.757 -1.879) 2.367 3.319 ( 4.222 0.457 1.331) 4.450 3.360 ( -1.945 0.511 -0.836) 2.178 3.516 ( -0.040 -2.241 3.668) 4.299 3.525 ( 0.296 -1.368 2.517) 2.880 3.583 ( 1.027 -1.586 -0.237) 1.904 3.636 ( 2.391 4.487 2.487) 5.660 3.682 ( -2.317 1.344 -0.019) 2.678 3.827 ( -0.592 -0.192 2.256) 2.340 3.951 ( 0.297 -1.323 -4.002) 4.226 4.109 ( -0.125 0.103 -3.269) 3.273 4.133 ( 0.045 -1.378 1.725) 2.208 4.200 ( 0.946 0.607 2.176) 2.449 4.325 ( -1.709 2.590 -0.459) 3.137 4.364 ( -0.099 -0.744 1.761) 1.914 4.415 ( -1.532 1.548 1.392) 2.585 4.559 ( -6.547 -1.463 0.575) 6.733 4.787 ( 1.026 -1.406 1.629) 2.384 4.808 ( -5.589 -4.760 -1.426) 7.478 4.914 ( 4.776 1.953 -0.445) 5.179 5.080 ( -1.830 0.808 -0.970) 2.223 9.213 ( 3.720 1.977 0.132) 4.215 9.377 ( -4.963 2.107 -0.397) 5.406 10.254 ( 43.848 13.754 5.554) 46.289 11.531 ( -15.710 -0.667 -4.777) 16.434 12.424 ( 2.357 -0.828 0.012) 2.498 12.535 ( -4.577 -1.416 -0.187) 4.795 12.698 ( 4.728 1.069 0.263) 4.854 12.813 ( -2.173 0.543 -0.165) 2.245 13.500 ( 11.951 5.700 0.137) 13.242 14.323 ( -31.487 6.877 -2.823) 32.352 15.319 ( -1.245 1.853 -0.360) 2.261 15.326 ( -2.270 0.376 1.113) 2.556 17.141 ( -0.859 0.717 1.098) 1.568 17.178 ( -0.004 0.903 -1.902) 2.105 17.260 ( 0.294 -0.731 -0.270) 0.833 17.280 ( -1.999 -1.170 -0.378) 2.347 17.343 ( 0.137 -0.569 1.005) 1.163 17.383 ( -0.003 -1.223 -0.586) 1.356 17.650 ( 7.176 -0.993 0.581) 7.267 17.810 ( -2.426 -0.551 0.122) 2.491 19.909 ( 4.887 2.822 4.144) 7.002 20.341 ( -12.566 -0.014 -3.953) 13.173 20.582 ( -0.405 -0.995 1.819) 2.113 20.646 ( 0.786 -0.603 -3.322) 3.467 27.107 ( 2.194 0.461 0.010) 2.242 27.184 ( -1.975 0.298 0.050) 1.998 27.623 ( -0.062 0.349 0.826) 0.899 27.646 ( 0.023 0.115 -0.894) 0.902 30.431 ( 3.725 -1.648 1.181) 4.241 30.586 ( -2.674 -1.267 -1.137) 3.170 33.264 ( 0.370 -0.431 1.750) 1.840 33.292 ( -0.921 -1.394 0.945) 1.919 33.798 ( 0.662 0.827 0.054) 1.061 33.850 ( -0.508 -1.893 -2.686) 3.325 34.363 ( 3.635 1.781 0.628) 4.096 34.610 ( -7.442 2.834 -1.347) 8.077 35.077 ( 4.565 2.284 3.571) 6.230 35.259 ( -0.796 -0.011 -4.153) 4.229 35.801 ( 4.100 -3.005 4.419) 6.736 36.075 ( -2.581 -1.126 -2.365) 3.677 40.517 ( -6.413 4.667 30.813) 31.817 41.247 ( 8.927 -1.247 -34.051) 35.224 46.287 ( 0.134 1.394 1.027) 1.737 46.345 ( -0.619 0.957 -2.064) 2.358 ======================= Grid point 182 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -6.120 4.291 9.637) 12.196 1.203 ( -6.530 7.763 -12.671) 16.232 1.619 ( 0.722 11.360 4.853) 12.374 1.700 ( -3.578 8.703 -0.301) 9.415 1.832 ( 5.401 0.552 -2.829) 6.122 1.972 ( -4.186 1.726 -5.687) 7.269 2.148 ( 6.048 0.247 7.467) 9.612 2.310 ( 7.115 -3.142 0.637) 7.804 2.428 ( -5.120 1.574 -7.461) 9.185 2.513 ( 0.346 -5.931 -6.981) 9.168 2.582 ( -2.778 5.541 4.161) 7.466 2.700 ( 2.206 3.384 -7.524) 8.540 2.827 ( 0.053 2.311 8.082) 8.406 2.857 ( 3.298 -3.568 5.288) 7.181 3.022 ( 0.677 1.614 -2.148) 2.771 3.064 ( -0.915 -1.686 -2.042) 2.802 3.088 ( -2.020 1.601 -0.048) 2.578 3.197 ( -1.495 -2.004 -3.893) 4.627 3.259 ( 0.757 2.349 -2.027) 3.193 3.285 ( -4.084 0.072 0.145) 4.087 3.306 ( 1.444 -3.289 2.909) 4.622 3.366 ( 3.419 -2.412 -0.579) 4.224 3.535 ( 1.269 0.288 -0.198) 1.316 3.561 ( -0.047 -1.990 2.312) 3.051 3.615 ( 1.559 0.113 -0.551) 1.658 3.620 ( -0.563 1.412 0.889) 1.761 3.696 ( 3.861 -3.906 0.718) 5.539 3.786 ( -2.678 1.462 -0.913) 3.184 3.964 ( 3.198 0.849 -1.093) 3.484 4.062 ( -4.158 1.698 -3.900) 5.948 4.171 ( -0.154 -1.063 4.163) 4.300 4.221 ( 1.294 0.390 3.071) 3.355 4.268 ( -3.138 1.395 -0.609) 3.488 4.337 ( -0.171 3.461 -1.030) 3.615 4.454 ( 5.784 -6.537 2.557) 9.095 4.568 ( -3.349 -1.393 3.184) 4.827 4.791 ( -0.194 1.044 -0.461) 1.157 4.837 ( -6.520 -2.652 0.062) 7.039 4.929 ( 3.571 -0.837 0.335) 3.683 5.048 ( -2.512 -0.263 -2.462) 3.527 9.196 ( 4.019 2.797 0.322) 4.907 9.282 ( -5.375 3.258 -0.631) 6.317 10.311 ( 48.804 18.367 10.972) 53.288 11.327 ( -33.980 3.371 -13.036) 36.550 12.469 ( 3.441 -1.570 0.089) 3.784 12.533 ( -4.320 -1.793 -0.257) 4.685 12.710 ( 4.174 1.324 0.538) 4.411 12.777 ( -3.010 1.039 -0.453) 3.216 13.478 ( 13.203 6.495 1.388) 14.780 13.921 ( -35.494 6.885 -5.883) 36.631 15.272 ( -0.899 2.149 1.158) 2.601 15.293 ( -0.924 1.751 -0.481) 2.038 17.117 ( -0.881 1.017 0.700) 1.516 17.145 ( -0.166 1.630 -2.075) 2.643 17.277 ( 0.973 -0.573 -0.181) 1.143 17.293 ( -1.328 -1.137 -0.198) 1.759 17.363 ( 0.924 -0.660 1.060) 1.553 17.402 ( -1.104 -1.150 -0.616) 1.709 17.729 ( 6.237 -1.571 0.613) 6.461 17.803 ( -2.676 -0.844 -0.032) 2.806 19.904 ( 3.711 2.378 7.121) 8.374 20.255 ( -12.331 -1.207 -10.213) 16.056 20.606 ( -1.437 -1.768 1.884) 2.956 20.658 ( -0.018 -0.849 -3.509) 3.610 27.120 ( 2.793 0.010 -0.049) 2.794 27.163 ( -2.778 -0.065 0.093) 2.780 27.615 ( 0.051 0.618 0.692) 0.929 27.638 ( -0.170 0.464 -1.085) 1.192 30.506 ( 2.947 -2.691 2.467) 4.692 30.604 ( -1.774 -2.560 -2.213) 3.821 33.276 ( -0.638 -0.682 3.785) 3.898 33.340 ( 0.242 -3.366 -1.314) 3.622 33.793 ( -1.678 -0.752 4.647) 4.997 33.910 ( 1.360 -4.207 -5.924) 7.392 34.335 ( 4.317 4.245 1.001) 6.137 34.471 ( -6.398 5.372 -2.642) 8.762 35.031 ( 2.296 5.698 7.274) 9.521 35.223 ( 0.358 2.730 -7.113) 7.627 35.902 ( 3.851 -2.898 5.343) 7.196 36.074 ( -1.865 -1.471 -3.854) 4.527 40.356 ( -5.797 12.804 33.489) 36.319 41.194 ( 8.789 7.444 -40.776) 42.372 46.251 ( -0.153 2.380 1.297) 2.714 46.304 ( -0.766 2.270 -2.683) 3.596 ======================= Grid point 183 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -11.655 -6.113 15.613) 20.420 1.068 ( 4.820 2.456 -0.072) 5.410 1.413 ( 3.082 10.952 1.958) 11.544 1.574 ( -0.211 2.754 -9.123) 9.532 1.823 ( -2.265 1.012 3.492) 4.284 1.949 ( 3.024 -1.436 -2.814) 4.373 2.195 ( 2.408 3.700 11.295) 12.127 2.256 ( 1.787 7.334 -1.772) 7.753 2.407 ( -4.203 3.613 -4.629) 7.221 2.459 ( 2.472 -1.430 -3.099) 4.214 2.598 ( -3.757 0.949 -4.129) 5.663 2.671 ( 1.525 -6.682 -7.856) 10.426 2.801 ( -0.062 3.646 7.963) 8.758 2.927 ( 0.347 1.304 2.201) 2.582 2.990 ( 1.899 0.684 1.763) 2.680 3.052 ( -0.839 1.371 3.256) 3.631 3.070 ( -0.287 1.244 -1.125) 1.702 3.168 ( -1.838 1.355 -3.994) 4.600 3.196 ( -0.860 4.332 -4.561) 6.349 3.250 ( 1.274 0.507 -5.629) 5.794 3.320 ( -2.497 1.670 4.089) 5.074 3.383 ( 0.895 2.575 -1.162) 2.963 3.533 ( 3.462 3.132 0.068) 4.669 3.565 ( -2.612 -0.719 -1.394) 3.047 3.615 ( -0.368 -1.894 0.272) 1.948 3.656 ( -2.073 -0.913 -1.369) 2.646 3.772 ( -4.203 -5.388 4.200) 8.021 3.835 ( 6.900 -3.954 -1.685) 8.129 3.962 ( 1.373 1.144 -1.033) 2.064 3.991 ( -1.180 2.055 -3.527) 4.249 4.181 ( -2.634 -0.891 5.722) 6.362 4.206 ( -0.853 0.258 2.222) 2.394 4.242 ( -0.220 0.507 -0.541) 0.774 4.287 ( 1.980 1.348 -1.105) 2.638 4.532 ( -3.435 3.298 3.994) 6.216 4.606 ( 5.900 2.282 -3.580) 7.268 4.824 ( -1.881 -3.372 1.027) 3.995 4.836 ( 1.497 -2.233 -0.578) 2.750 5.013 ( 3.280 -9.446 5.262) 11.299 5.101 ( -2.819 -8.831 -2.823) 9.690 9.168 ( 1.698 2.781 0.513) 3.298 9.181 ( -1.959 3.403 -0.689) 3.987 10.221 ( 8.433 24.918 21.501) 33.975 10.779 ( -12.940 25.606 -30.827) 42.112 12.534 ( 2.481 -2.109 0.147) 3.259 12.538 ( -2.449 -1.907 -0.222) 3.112 12.705 ( 0.691 1.672 1.183) 2.161 12.731 ( -0.646 1.614 -1.253) 2.143 13.427 ( -0.314 6.767 4.941) 8.385 13.578 ( -1.319 8.754 -9.999) 13.355 15.224 ( -0.946 2.227 1.309) 2.751 15.251 ( 1.330 2.382 -1.103) 2.942 17.100 ( -0.813 0.040 0.472) 0.941 17.118 ( 0.130 0.572 -1.311) 1.437 17.294 ( 1.077 -0.223 0.100) 1.104 17.299 ( -1.209 -0.476 -0.374) 1.352 17.379 ( -0.229 -0.214 1.652) 1.681 17.407 ( -0.427 -0.351 -1.027) 1.166 17.791 ( -0.257 -1.540 1.072) 1.894 17.812 ( 0.609 -1.438 -0.895) 1.800 19.873 ( -0.897 4.396 9.424) 10.437 20.131 ( -2.192 6.136 -15.513) 16.825 20.629 ( -2.122 -1.498 1.750) 3.132 20.670 ( 1.312 -0.751 -2.130) 2.612 27.146 ( -1.615 -0.519 0.213) 1.710 27.150 ( 1.505 -0.663 -0.093) 1.647 27.603 ( 0.040 0.709 0.641) 0.957 27.622 ( -0.164 0.775 -1.255) 1.484 30.569 ( -0.827 -2.209 3.810) 4.481 30.650 ( 1.181 -2.803 -3.647) 4.748 33.296 ( -1.286 -1.160 5.622) 5.883 33.407 ( 0.867 -3.338 -4.128) 5.379 33.823 ( -2.833 -2.811 8.305) 9.214 33.995 ( 2.828 -3.683 -7.298) 8.650 34.277 ( 3.921 5.083 0.906) 6.483 34.310 ( -4.487 5.769 -2.463) 7.713 34.940 ( 1.726 6.176 8.422) 10.586 35.120 ( -0.936 6.515 -8.955) 11.113 35.976 ( -2.492 -3.015 6.813) 7.856 36.102 ( 0.817 -2.528 -5.244) 5.878 40.076 ( -7.372 16.385 34.469) 38.871 40.909 ( 4.558 19.892 -44.788) 49.218 46.203 ( -0.307 2.503 1.322) 2.848 46.243 ( 0.191 3.090 -2.618) 4.054 ======================= Grid point 186 (88/115) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.478 -0.000 -20.441) 20.494 1.033 ( -7.902 -0.000 -22.601) 23.942 1.296 ( -1.491 -0.000 8.131) 8.267 1.426 ( 9.077 0.000 9.624) 13.229 1.709 ( -7.264 -0.000 10.816) 13.029 2.048 ( -5.998 -0.000 1.203) 6.118 2.193 ( -4.843 -0.000 -11.967) 12.910 2.338 ( 2.595 0.000 -4.301) 5.024 2.420 ( -0.511 -0.000 -4.946) 4.973 2.458 ( 20.327 0.000 20.223) 28.673 2.562 ( 3.826 0.000 9.184) 9.949 2.690 ( -4.867 -0.000 4.937) 6.933 2.698 ( 2.589 0.000 2.080) 3.321 2.803 ( -1.105 -0.000 -2.698) 2.916 2.925 ( -0.391 -0.000 -3.905) 3.924 2.936 ( 2.425 0.000 -2.856) 3.747 3.014 ( 0.653 0.000 -1.023) 1.214 3.038 ( 1.290 0.000 2.780) 3.065 3.123 ( 1.439 0.000 0.489) 1.520 3.233 ( 3.127 0.000 -6.611) 7.313 3.329 ( -7.757 -0.000 -2.818) 8.253 3.343 ( 3.102 0.000 0.610) 3.162 3.453 ( 1.298 0.000 -0.992) 1.633 3.478 ( 1.069 0.000 1.388) 1.752 3.524 ( -8.194 -0.000 -3.874) 9.063 3.705 ( -1.265 -0.000 -1.674) 2.099 3.833 ( 2.480 0.000 3.564) 4.342 3.871 ( -1.918 -0.000 -4.874) 5.237 3.906 ( -3.675 -0.000 -3.721) 5.230 4.045 ( 5.128 0.000 0.723) 5.179 4.132 ( -3.908 -0.000 -1.721) 4.270 4.162 ( -1.398 -0.000 2.751) 3.086 4.341 ( 1.747 0.000 2.774) 3.279 4.415 ( -0.091 -0.000 -0.394) 0.404 4.427 ( 1.109 0.000 -2.369) 2.616 4.457 ( -3.236 -0.000 4.452) 5.503 4.766 ( -5.412 -0.000 -0.834) 5.476 4.841 ( -3.076 -0.000 -0.623) 3.139 5.062 ( -10.355 -0.000 2.772) 10.720 5.114 ( -15.435 -0.000 2.026) 15.568 9.192 ( 4.946 0.000 -0.046) 4.947 9.201 ( 5.027 0.000 -0.021) 5.027 10.939 ( 76.988 0.000 -35.320) 84.703 11.422 ( 33.746 0.000 29.354) 44.726 12.467 ( -3.321 -0.000 0.860) 3.430 12.530 ( -3.645 -0.000 -1.196) 3.836 12.755 ( 3.647 0.000 -0.927) 3.763 12.765 ( 2.710 0.000 0.786) 2.821 13.989 ( 61.550 0.000 -21.870) 65.320 14.260 ( 54.057 0.000 28.264) 61.000 15.210 ( 2.399 0.000 0.397) 2.432 15.246 ( 3.468 0.000 0.076) 3.469 17.077 ( -1.993 -0.000 0.550) 2.068 17.153 ( 0.664 0.000 0.188) 0.690 17.266 ( 0.228 0.000 -0.094) 0.247 17.269 ( -4.154 -0.000 1.486) 4.412 17.342 ( 1.299 0.000 0.986) 1.631 17.438 ( -0.612 -0.000 0.158) 0.632 17.706 ( -6.759 -0.000 -0.334) 6.767 17.796 ( -2.896 -0.000 -1.137) 3.111 20.010 ( 27.757 0.000 -9.560) 29.358 20.345 ( 24.175 0.000 25.742) 35.314 20.617 ( -1.807 -0.000 1.513) 2.357 20.802 ( 8.914 0.000 -3.638) 9.628 27.095 ( -2.585 -0.000 0.439) 2.622 27.173 ( -1.177 -0.000 -0.309) 1.217 27.586 ( 0.393 0.000 0.086) 0.403 27.598 ( 0.211 0.000 0.654) 0.687 30.564 ( -3.701 -0.000 4.403) 5.752 30.700 ( 0.046 0.000 -5.293) 5.293 33.341 ( -1.491 -0.000 8.318) 8.450 33.469 ( 1.174 0.000 -5.661) 5.781 33.890 ( -1.616 -0.000 6.148) 6.357 34.049 ( 2.305 0.000 -1.515) 2.759 34.135 ( -2.913 -0.000 1.298) 3.189 34.246 ( 2.250 0.000 -0.688) 2.353 34.699 ( -5.577 -0.000 4.361) 7.080 34.870 ( 0.361 0.000 -1.423) 1.468 35.798 ( -10.383 -0.000 6.635) 12.322 36.070 ( -7.773 -0.000 -2.206) 8.080 39.404 ( -11.597 -0.000 20.302) 23.381 40.088 ( -2.219 -0.000 -7.457) 7.780 46.204 ( 3.281 0.000 -0.958) 3.419 46.221 ( 2.683 0.000 1.347) 3.002 ======================= Grid point 187 (89/115) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.375 -0.082 -8.191) 8.529 1.084 ( 3.690 -13.805 -16.116) 21.539 1.425 ( 0.011 -8.449 -1.846) 8.648 1.505 ( 5.911 1.501 2.124) 6.457 1.716 ( -1.727 -3.222 9.575) 10.249 2.024 ( -6.406 -3.734 -0.065) 7.415 2.082 ( -7.062 0.836 -2.988) 7.713 2.364 ( 3.783 4.398 -5.841) 8.232 2.431 ( 1.414 -3.494 -2.129) 4.329 2.538 ( 3.924 0.421 7.058) 8.086 2.656 ( -0.409 -0.196 2.407) 2.450 2.674 ( -0.840 3.567 0.593) 3.712 2.763 ( 9.465 -3.470 4.138) 10.897 2.787 ( 0.411 -1.479 3.648) 3.958 2.886 ( -4.823 6.034 -1.637) 7.896 2.952 ( 2.939 -1.033 -1.061) 3.291 2.996 ( -3.182 -2.902 -2.452) 4.956 3.100 ( 1.748 -5.287 6.104) 8.263 3.210 ( 2.873 -3.599 1.813) 4.949 3.225 ( 1.036 0.696 -3.312) 3.540 3.310 ( 0.286 -1.980 -3.547) 4.072 3.373 ( -6.808 0.895 -1.466) 7.022 3.456 ( 1.331 -1.485 1.462) 2.473 3.470 ( 3.627 -1.988 -0.415) 4.157 3.506 ( 0.865 -0.577 -1.459) 1.792 3.685 ( -2.725 1.624 -2.472) 4.022 3.789 ( -2.379 7.001 -0.479) 7.410 3.832 ( -0.630 0.376 -1.747) 1.895 3.935 ( 2.362 -4.974 -0.161) 5.509 4.053 ( 0.650 1.001 -1.494) 1.912 4.121 ( -4.324 1.535 1.475) 4.819 4.173 ( -1.425 -4.961 -2.004) 5.537 4.302 ( 0.981 2.444 1.073) 2.844 4.354 ( -2.353 3.690 3.809) 5.802 4.438 ( -1.719 -2.325 5.424) 6.147 4.555 ( -0.908 -2.798 -4.774) 5.608 4.684 ( -2.705 0.169 0.362) 2.735 4.763 ( -6.619 3.018 -0.354) 7.283 4.983 ( -4.590 0.404 1.762) 4.933 5.117 ( -9.321 -3.231 -0.889) 9.905 9.211 ( 5.133 0.645 0.194) 5.177 9.288 ( 4.491 -3.317 -0.390) 5.597 10.881 ( 66.882 34.653 -7.814) 75.730 11.778 ( 7.169 -4.760 5.230) 10.070 12.440 ( -2.309 0.571 0.535) 2.438 12.511 ( -3.589 -0.917 -0.967) 3.829 12.752 ( 3.425 1.685 -0.177) 3.821 12.804 ( 1.725 -1.031 0.029) 2.010 13.956 ( 50.216 25.668 -1.653) 56.420 14.953 ( 34.070 -5.357 3.073) 34.625 15.229 ( 1.961 -0.895 0.709) 2.270 15.372 ( 12.325 -6.829 0.122) 14.091 17.069 ( -1.459 -0.528 0.630) 1.675 17.147 ( 0.960 0.807 0.882) 1.533 17.247 ( -3.633 -0.150 0.604) 3.686 17.281 ( 1.099 -0.743 0.784) 1.541 17.349 ( 0.989 0.301 0.576) 1.184 17.429 ( -3.047 -0.143 -0.232) 3.060 17.629 ( -5.440 2.360 -0.827) 5.988 17.775 ( -3.222 -0.588 -0.638) 3.337 20.090 ( 23.472 6.183 -3.407) 24.510 20.595 ( -1.730 0.916 1.440) 2.429 20.678 ( 11.174 -3.125 9.749) 15.155 20.940 ( 19.587 -4.131 2.754) 20.207 27.069 ( -1.265 0.456 0.509) 1.437 27.182 ( -1.204 -1.473 -0.248) 1.919 27.594 ( 0.545 -0.444 0.025) 0.703 27.610 ( 0.165 -0.801 0.349) 0.889 30.526 ( -2.837 1.800 3.128) 4.590 30.688 ( -0.388 0.344 -4.392) 4.422 33.325 ( -1.827 1.767 7.939) 8.336 33.452 ( 1.275 1.777 -5.523) 5.940 33.867 ( -0.581 1.895 8.459) 8.688 34.098 ( -1.813 -0.971 1.983) 2.857 34.126 ( 3.874 -2.038 -5.432) 6.976 34.331 ( 0.790 -6.469 -0.112) 6.518 34.706 ( -4.734 -4.546 1.092) 6.654 34.920 ( -1.273 -5.039 0.704) 5.245 35.732 ( -7.629 0.743 6.255) 9.893 36.007 ( -7.946 -0.644 -3.588) 8.742 39.555 ( -9.406 -17.955 23.497) 31.031 40.222 ( -4.000 -16.391 -14.775) 22.427 46.223 ( 2.941 -0.296 -0.271) 2.968 46.269 ( 2.015 -1.975 0.638) 2.893 ======================= Grid point 188 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 13.174 -13.570 0.251) 18.914 1.386 ( 12.757 -4.205 -1.757) 13.547 1.436 ( -4.217 -6.686 -0.261) 7.909 1.667 ( 3.360 -11.678 -6.316) 13.696 1.767 ( 5.246 0.775 3.369) 6.282 2.022 ( -8.500 -2.999 1.283) 9.104 2.162 ( -4.952 -9.001 1.096) 10.331 2.307 ( 4.514 1.773 -6.006) 7.719 2.487 ( 3.388 1.270 -5.124) 6.272 2.555 ( -6.203 3.328 7.019) 9.940 2.587 ( 4.126 1.915 -3.752) 5.897 2.593 ( -6.862 -0.908 -3.001) 7.544 2.725 ( -3.684 3.766 -1.575) 5.499 2.811 ( 0.758 -2.059 0.185) 2.202 2.878 ( 6.197 2.017 0.202) 6.520 2.976 ( -4.595 -0.075 -2.484) 5.224 3.036 ( -1.932 -3.412 3.123) 5.012 3.192 ( 1.012 0.130 1.921) 2.175 3.228 ( -2.183 -1.137 0.656) 2.548 3.263 ( 3.156 0.163 3.034) 4.381 3.353 ( -0.504 -3.743 3.829) 5.378 3.370 ( 3.137 -2.237 1.143) 4.019 3.474 ( 1.837 3.337 1.432) 4.069 3.498 ( -0.006 1.012 -1.181) 1.555 3.545 ( -2.314 3.450 -1.887) 4.563 3.645 ( 4.888 -2.138 0.279) 5.343 3.667 ( -0.160 -1.263 -1.285) 1.808 3.825 ( -1.277 -0.716 -2.521) 2.915 3.993 ( -5.319 0.802 -0.453) 5.398 4.057 ( -0.706 -1.087 -0.677) 1.462 4.091 ( 1.550 -1.083 2.499) 3.133 4.237 ( -1.614 -0.516 -2.182) 2.763 4.276 ( 0.154 -1.057 0.943) 1.425 4.330 ( -0.842 -3.391 2.858) 4.514 4.463 ( -2.176 4.812 -0.358) 5.293 4.489 ( -3.036 -2.214 -0.132) 3.760 4.700 ( -6.402 -1.830 -0.408) 6.671 4.767 ( -0.286 -4.950 -3.052) 5.822 4.889 ( -6.758 4.696 7.152) 10.903 5.101 ( -1.155 -0.239 -4.533) 4.684 9.242 ( 5.592 0.529 0.112) 5.618 9.374 ( 1.812 -2.747 -0.251) 3.300 10.775 ( 60.285 24.662 -1.846) 65.160 11.791 ( -3.049 3.506 1.715) 4.953 12.417 ( -0.704 0.579 0.082) 0.915 12.502 ( -3.830 -1.079 -0.483) 4.008 12.745 ( 3.700 1.690 -0.061) 4.068 12.826 ( 0.294 -0.439 0.033) 0.530 13.869 ( 39.547 18.110 0.328) 43.497 15.045 ( 9.801 7.750 0.109) 12.495 15.269 ( 0.915 -1.626 0.490) 1.930 15.488 ( 1.678 3.097 -1.655) 3.892 17.080 ( -1.487 -1.683 0.559) 2.314 17.151 ( 1.340 0.171 1.321) 1.890 17.211 ( -4.756 0.248 0.624) 4.803 17.301 ( 0.652 -0.080 0.683) 0.948 17.348 ( 0.374 0.352 -0.300) 0.595 17.390 ( -4.432 0.338 -1.330) 4.640 17.580 ( 1.313 0.501 0.065) 1.407 17.769 ( -3.279 -1.305 -0.221) 3.536 20.138 ( 18.961 5.543 -1.694) 19.827 20.557 ( -2.771 1.399 1.518) 3.455 20.712 ( 5.739 3.679 -0.502) 6.835 20.995 ( 4.283 10.797 6.036) 13.091 27.076 ( 1.510 -0.882 0.558) 1.835 27.198 ( -1.122 -0.970 -0.137) 1.489 27.609 ( 0.455 -0.626 0.268) 0.819 27.626 ( 0.053 -0.659 -0.138) 0.676 30.474 ( -0.236 2.571 1.508) 2.989 30.656 ( -1.723 1.526 -2.845) 3.660 33.285 ( -1.941 1.912 6.762) 7.291 33.402 ( 1.061 3.109 -4.532) 5.598 33.846 ( -0.286 1.710 7.966) 8.153 34.052 ( 1.323 4.099 -4.742) 6.407 34.220 ( 3.180 -4.254 -2.541) 5.888 34.473 ( -2.296 -7.885 -0.204) 8.215 34.816 ( 0.262 -8.122 -0.346) 8.133 35.029 ( -2.983 -7.104 2.198) 8.012 35.687 ( -4.213 0.046 5.648) 7.046 35.975 ( -6.422 -2.346 -4.029) 7.936 39.944 ( -9.211 -22.081 27.804) 36.681 40.542 ( -0.936 -20.840 -23.695) 31.570 46.260 ( 2.581 -1.139 -0.170) 2.826 46.316 ( 0.559 -1.629 0.194) 1.734 ======================= Grid point 189 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 5.166 2.626 3.944) 7.009 1.468 ( 8.126 -3.219 -7.026) 11.214 1.664 ( 2.922 -5.816 8.147) 10.427 1.809 ( 4.201 -2.539 -7.562) 9.015 1.907 ( -2.033 -8.304 5.476) 10.153 2.081 ( 5.022 -7.333 -1.036) 8.948 2.221 ( 2.461 1.464 2.546) 3.832 2.317 ( -3.317 1.384 -6.483) 7.413 2.357 ( 1.122 4.764 -6.774) 8.357 2.503 ( -0.633 -1.066 -0.681) 1.415 2.585 ( -7.249 -4.447 1.112) 8.577 2.672 ( 1.176 -5.803 -7.526) 9.576 2.704 ( 2.254 -0.735 -0.631) 2.454 2.820 ( -1.747 2.642 -0.505) 3.207 2.848 ( -0.640 2.030 0.605) 2.213 2.925 ( -5.618 -3.372 -2.238) 6.925 3.082 ( -0.109 0.217 5.853) 5.858 3.172 ( 0.388 1.617 0.281) 1.686 3.209 ( -0.904 2.732 1.745) 3.366 3.266 ( 1.182 1.117 -2.189) 2.727 3.324 ( -0.744 4.599 2.832) 5.452 3.358 ( 2.420 2.425 -1.272) 3.654 3.465 ( -1.489 -2.476 2.933) 4.117 3.504 ( -1.861 -1.260 1.518) 2.712 3.545 ( 4.532 -1.923 -0.956) 5.015 3.683 ( -2.692 -2.636 3.942) 5.452 3.749 ( 1.907 -0.526 -2.233) 2.984 3.835 ( -2.205 -0.126 -0.977) 2.415 3.922 ( 2.950 2.402 0.099) 3.806 4.092 ( 0.450 -3.202 -1.482) 3.557 4.129 ( -0.914 -0.439 2.621) 2.810 4.207 ( -0.852 -0.098 -0.183) 0.877 4.326 ( -1.593 0.387 -1.300) 2.092 4.353 ( -3.217 0.451 1.435) 3.552 4.402 ( -0.107 -2.839 -1.129) 3.057 4.513 ( -7.578 -3.017 -1.591) 8.310 4.692 ( -4.330 -0.555 4.847) 6.523 4.742 ( -1.463 0.838 -0.506) 1.760 4.895 ( 3.586 -2.632 1.740) 4.776 5.089 ( -1.178 -0.046 -3.291) 3.495 9.270 ( 5.887 1.025 -0.088) 5.976 9.408 ( -2.054 -0.660 0.107) 2.160 10.798 ( 50.973 16.981 -0.024) 53.728 11.646 ( -10.024 5.898 0.185) 11.632 12.411 ( 1.017 0.084 -0.036) 1.021 12.492 ( -3.960 -0.949 -0.227) 4.078 12.744 ( 3.951 1.406 0.038) 4.194 12.825 ( -1.201 0.141 -0.012) 1.209 13.836 ( 32.519 13.755 -0.367) 35.311 14.799 ( -13.417 16.762 -0.282) 21.472 15.301 ( -0.317 -1.313 0.484) 1.435 15.382 ( -6.001 2.137 -1.323) 6.506 17.114 ( -0.874 -2.472 0.392) 2.651 17.148 ( -1.577 -0.388 0.972) 1.893 17.205 ( -0.995 -1.474 0.713) 1.916 17.287 ( -1.430 0.821 -1.222) 2.052 17.344 ( 0.252 0.237 -0.048) 0.350 17.367 ( -0.832 0.003 -0.534) 0.989 17.613 ( 5.151 -0.896 0.580) 5.260 17.771 ( -3.493 -1.443 -0.094) 3.780 20.136 ( 15.420 7.907 -0.422) 17.334 20.490 ( -6.987 3.368 1.710) 7.942 20.661 ( 1.842 4.652 -0.522) 5.031 20.742 ( -3.367 10.479 1.742) 11.144 27.112 ( 2.830 -0.581 0.431) 2.922 27.198 ( -1.479 -0.024 -0.083) 1.481 27.622 ( -0.089 -0.354 0.917) 0.987 27.638 ( 0.373 -0.521 -0.779) 1.008 30.439 ( 2.448 1.865 1.041) 3.249 30.598 ( -3.202 1.738 -1.935) 4.125 33.254 ( -1.481 0.870 5.039) 5.323 33.342 ( 0.646 2.881 -2.781) 4.056 33.821 ( -0.512 1.583 5.281) 5.537 33.960 ( 1.968 5.202 -6.280) 8.389 34.322 ( 3.953 -3.555 -0.257) 5.323 34.567 ( -6.949 -5.101 -1.128) 8.694 34.993 ( 6.118 -6.590 0.232) 8.995 35.139 ( -3.540 -6.106 0.716) 7.094 35.697 ( -0.101 -1.859 5.972) 6.256 35.981 ( -5.246 -3.331 -4.088) 7.439 40.300 ( -9.043 -15.595 29.298) 34.400 40.888 ( 4.605 -17.212 -28.278) 33.423 46.296 ( 1.798 -0.728 0.224) 1.953 46.342 ( -0.315 -1.012 -0.605) 1.220 ======================= Grid point 190 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 5.359 7.473 3.517) 9.845 1.450 ( -1.774 5.019 -8.404) 9.948 1.748 ( 0.522 -1.453 4.951) 5.187 1.848 ( 4.386 1.228 -4.890) 6.683 1.971 ( -4.726 -1.287 2.780) 5.632 2.105 ( -0.849 5.504 -7.942) 9.700 2.233 ( 1.720 1.966 3.861) 4.662 2.290 ( 8.973 -2.096 -4.811) 10.395 2.395 ( -0.404 -2.059 2.639) 3.372 2.494 ( 0.128 3.394 -3.019) 4.544 2.632 ( 3.676 1.145 0.176) 3.855 2.704 ( -5.657 0.212 -0.972) 5.744 2.740 ( -4.327 -8.261 -0.269) 9.330 2.770 ( 4.189 -3.544 -5.901) 8.057 2.934 ( -3.880 -2.771 -1.374) 4.962 2.959 ( 0.905 -6.741 0.173) 6.804 3.061 ( -2.814 0.915 6.243) 6.909 3.111 ( -0.479 2.004 -0.867) 2.235 3.190 ( 3.294 -0.058 -1.522) 3.630 3.274 ( -3.622 -0.957 -3.966) 5.456 3.310 ( 0.911 -1.673 2.668) 3.279 3.358 ( 2.613 1.001 -0.327) 2.817 3.480 ( 0.024 -1.175 1.200) 1.680 3.502 ( -2.747 -0.725 2.617) 3.862 3.595 ( 3.456 0.329 0.470) 3.504 3.668 ( -4.228 -0.188 1.896) 4.637 3.770 ( 2.221 4.689 3.325) 6.162 3.805 ( 0.373 -1.851 1.570) 2.455 3.938 ( 5.887 -0.154 -3.808) 7.013 4.069 ( -8.586 1.130 -1.324) 8.760 4.162 ( 4.175 -0.818 0.377) 4.271 4.207 ( -0.479 0.078 0.179) 0.517 4.308 ( -1.474 -1.939 1.160) 2.698 4.370 ( -1.558 -1.344 1.754) 2.704 4.418 ( -0.182 0.457 -1.116) 1.220 4.472 ( -7.768 0.277 -2.047) 8.038 4.718 ( -1.530 -2.866 4.602) 5.633 4.763 ( 1.406 -2.043 -0.362) 2.506 4.962 ( 4.218 -0.697 0.830) 4.355 5.070 ( -2.308 0.188 -2.294) 3.260 9.287 ( 5.676 1.816 -0.010) 5.959 9.372 ( -4.999 1.344 -0.075) 5.177 10.861 ( 41.688 13.478 4.270) 44.020 11.428 ( -19.502 4.578 -3.811) 20.391 12.429 ( 2.481 -0.565 0.035) 2.544 12.480 ( -3.815 -0.954 -0.208) 3.938 12.751 ( 3.883 1.006 0.234) 4.018 12.805 ( -2.469 0.491 -0.180) 2.524 13.815 ( 28.670 12.059 -0.732) 31.112 14.292 ( -31.973 14.543 -0.713) 35.133 15.313 ( -1.533 -0.330 1.059) 1.892 15.334 ( -0.980 0.585 -0.961) 1.492 17.142 ( -0.557 -0.516 1.321) 1.524 17.168 ( -0.203 -1.751 -0.885) 1.973 17.231 ( -0.406 -1.457 0.438) 1.575 17.260 ( -1.094 0.283 -1.425) 1.818 17.341 ( 0.194 0.138 0.938) 0.968 17.367 ( -0.144 -0.380 -0.716) 0.823 17.681 ( 6.234 -1.258 0.549) 6.383 17.768 ( -4.132 -1.180 -0.018) 4.297 20.073 ( 9.376 8.138 3.943) 13.026 20.307 ( -10.372 5.508 -2.564) 12.020 20.589 ( -0.138 1.664 2.206) 2.766 20.651 ( 0.485 1.342 -2.763) 3.109 27.135 ( 2.733 0.352 0.253) 2.767 27.178 ( -2.111 0.578 -0.075) 2.190 27.626 ( -0.247 -0.072 1.017) 1.049 27.646 ( 0.342 -0.111 -0.910) 0.978 30.446 ( 3.585 0.069 1.538) 3.901 30.548 ( -3.481 0.212 -1.888) 3.966 33.251 ( -0.679 -0.677 3.144) 3.287 33.296 ( 0.010 1.707 -0.673) 1.835 33.809 ( 0.091 -0.117 1.290) 1.299 33.869 ( 0.726 4.132 -3.838) 5.686 34.406 ( 5.267 -1.155 1.420) 5.576 34.566 ( -7.800 -1.089 -1.955) 8.114 35.120 ( 3.648 -1.703 2.087) 4.535 35.210 ( -1.292 -3.479 -2.680) 4.578 35.778 ( 3.598 -3.502 6.833) 8.479 35.999 ( -4.603 -2.951 -4.469) 7.062 40.503 ( -7.695 -6.248 29.476) 31.098 41.144 ( 7.380 -9.508 -30.485) 32.775 46.309 ( 0.479 0.462 1.077) 1.266 46.349 ( -0.082 -0.063 -1.788) 1.791 ======================= Grid point 191 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.694 12.442 5.043) 14.583 1.271 ( -6.531 7.415 -9.047) 13.398 1.746 ( -2.002 2.406 2.338) 3.907 1.793 ( -1.874 5.288 -1.970) 5.946 1.922 ( 0.341 2.550 0.561) 2.633 2.008 ( 3.896 3.452 -6.103) 8.021 2.257 ( 5.832 0.764 2.485) 6.385 2.312 ( -7.839 0.191 1.203) 7.933 2.388 ( 3.724 5.817 -5.115) 8.595 2.406 ( 2.878 -2.851 -6.148) 7.363 2.649 ( -3.092 0.778 2.283) 3.922 2.741 ( 3.614 -2.594 -5.247) 6.879 2.831 ( -1.796 -2.035 1.891) 3.308 2.839 ( 0.481 -1.807 1.777) 2.579 2.986 ( 1.559 -5.058 4.132) 6.714 3.042 ( -1.030 -1.157 2.295) 2.769 3.088 ( -3.195 -4.901 -4.645) 7.470 3.121 ( -0.232 1.617 -2.920) 3.346 3.192 ( -0.045 -2.760 2.578) 3.777 3.241 ( -0.508 -1.542 -0.927) 1.870 3.319 ( -3.360 2.270 1.976) 4.510 3.366 ( 2.539 0.230 -2.323) 3.449 3.526 ( -0.047 -1.858 2.881) 3.428 3.551 ( 1.830 -2.948 0.169) 3.474 3.597 ( -0.634 0.204 2.911) 2.986 3.658 ( 0.630 -0.219 -2.356) 2.449 3.718 ( 5.458 3.197 3.073) 7.032 3.805 ( -1.025 1.270 -1.686) 2.346 3.951 ( -5.952 -0.877 1.373) 6.171 4.043 ( 2.518 -0.983 -5.033) 5.713 4.184 ( 1.137 1.280 3.318) 3.733 4.217 ( 0.494 -1.278 0.221) 1.388 4.318 ( 1.733 2.463 1.568) 3.395 4.382 ( -1.278 -2.834 3.013) 4.329 4.390 ( 1.451 1.954 -1.758) 3.002 4.455 ( -4.625 -4.628 -1.914) 6.818 4.758 ( -2.240 -1.443 3.220) 4.180 4.805 ( 1.177 -0.616 -0.584) 1.451 4.989 ( 4.031 1.239 1.471) 4.467 5.037 ( -2.401 0.758 -2.791) 3.759 9.277 ( 0.116 2.552 1.069) 2.769 9.302 ( -0.102 2.419 -1.288) 2.742 10.844 ( -0.840 11.653 17.273) 20.853 11.209 ( 0.237 4.281 -16.455) 17.004 12.467 ( 0.905 -1.268 0.283) 1.583 12.475 ( -0.877 -1.150 -0.461) 1.518 12.755 ( -0.024 0.994 1.035) 1.435 12.776 ( 0.043 0.704 -0.946) 1.180 13.760 ( -2.153 11.223 4.295) 12.209 13.876 ( 2.768 8.223 -6.533) 10.861 15.295 ( -1.567 1.025 1.478) 2.385 15.322 ( 1.335 0.978 -0.997) 1.932 17.136 ( -0.382 0.958 1.338) 1.689 17.171 ( 0.105 1.118 -1.941) 2.242 17.256 ( -0.693 -1.443 0.293) 1.627 17.268 ( 0.633 -1.183 -0.809) 1.566 17.351 ( 0.077 -0.783 1.547) 1.735 17.376 ( -0.374 -0.892 -0.852) 1.289 17.746 ( 1.756 -0.817 0.733) 2.070 17.758 ( -1.472 -1.317 -0.352) 2.006 19.989 ( -2.427 4.197 9.365) 10.546 20.195 ( 2.428 1.564 -9.572) 9.998 20.582 ( -0.589 -0.371 2.498) 2.593 20.640 ( 0.082 -0.376 -2.978) 3.002 27.145 ( 0.357 0.413 0.252) 0.601 27.149 ( -0.396 0.642 -0.141) 0.767 27.624 ( -0.141 0.257 0.865) 0.914 27.643 ( 0.119 0.334 -0.898) 0.966 30.483 ( -0.194 -1.540 2.821) 3.220 30.544 ( 0.325 -1.871 -2.860) 3.433 33.274 ( -0.315 0.420 1.575) 1.660 33.282 ( -0.317 -2.368 1.141) 2.647 33.805 ( -0.110 2.067 0.064) 2.071 33.839 ( 0.734 -2.784 -2.707) 3.952 34.440 ( 4.649 2.127 2.325) 5.617 34.496 ( -5.022 2.445 -2.919) 6.302 35.125 ( -1.247 2.086 5.232) 5.768 35.242 ( 1.753 -0.079 -5.909) 6.164 35.881 ( 1.657 -2.794 7.209) 7.907 36.012 ( -2.095 -2.324 -5.117) 5.998 40.530 ( -6.862 3.505 31.523) 32.451 41.243 ( 6.917 -0.873 -34.379) 35.079 46.291 ( -0.372 1.588 1.548) 2.248 46.334 ( 0.551 1.308 -2.517) 2.889 ======================= Grid point 192 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 1.907 11.336 10.546) 15.600 1.114 ( 0.713 2.772 -6.967) 7.532 1.635 ( 0.054 7.746 4.710) 9.066 1.661 ( -1.950 6.399 2.535) 7.154 1.879 ( -0.385 6.157 -9.170) 11.052 1.964 ( 7.472 0.608 -4.178) 8.582 2.223 ( -1.985 -0.925 5.014) 5.472 2.340 ( 0.772 -0.782 -6.824) 6.912 2.411 ( 1.545 -5.621 -0.654) 5.866 2.457 ( -0.252 0.781 -5.306) 5.369 2.544 ( -2.574 3.443 3.859) 5.777 2.707 ( 1.624 5.068 -5.450) 7.617 2.876 ( 2.307 0.564 6.257) 6.693 2.905 ( -0.290 -3.203 2.206) 3.900 2.987 ( -4.226 3.070 0.886) 5.298 3.052 ( 1.911 0.077 -1.643) 2.521 3.109 ( 2.956 -1.667 2.317) 4.109 3.144 ( -2.604 -2.629 -4.868) 6.115 3.189 ( -6.558 3.267 1.102) 7.410 3.282 ( 1.054 0.081 0.399) 1.130 3.317 ( -2.361 -4.261 2.611) 5.527 3.413 ( 3.520 -2.281 -3.208) 5.280 3.534 ( -2.701 1.611 1.495) 3.482 3.554 ( -0.206 0.181 1.189) 1.220 3.588 ( -1.497 1.045 -0.107) 1.829 3.666 ( 2.459 0.765 -1.940) 3.224 3.683 ( -4.637 -0.469 0.997) 4.766 3.845 ( 9.853 -1.477 -4.541) 10.949 3.933 ( -6.611 -2.125 1.403) 7.084 4.035 ( 1.538 2.413 -2.172) 3.593 4.154 ( -4.677 1.100 5.046) 6.968 4.229 ( 2.122 0.900 2.734) 3.576 4.269 ( -0.077 1.725 0.307) 1.754 4.350 ( 3.169 2.891 -2.604) 5.018 4.503 ( -4.925 -3.517 -0.426) 6.067 4.587 ( 8.684 -8.532 1.173) 12.230 4.763 ( -0.967 -1.897 2.118) 3.004 4.801 ( 1.022 -0.042 1.115) 1.513 4.962 ( -2.604 1.932 -0.515) 3.284 5.036 ( 4.126 -0.996 -2.209) 4.785 9.200 ( -4.331 2.786 -0.019) 5.150 9.274 ( 5.258 3.424 0.020) 6.275 10.347 ( -54.611 17.459 9.103) 58.052 11.266 ( 37.407 5.951 -9.086) 38.952 12.473 ( -3.384 -1.614 -0.230) 3.756 12.529 ( 4.390 -1.769 0.032) 4.733 12.712 ( -4.321 1.235 0.366) 4.509 12.775 ( 3.166 1.136 -0.312) 3.378 13.479 ( -14.146 6.393 1.355) 15.582 13.906 ( 36.229 8.136 -4.585) 37.413 15.260 ( -0.677 1.843 1.262) 2.334 15.309 ( 2.920 1.819 -0.993) 3.581 17.111 ( -0.253 1.279 1.070) 1.687 17.140 ( 0.370 1.570 -1.515) 2.213 17.274 ( -0.903 -0.985 0.024) 1.337 17.295 ( 1.308 -0.715 -0.300) 1.520 17.363 ( -1.823 -0.424 1.103) 2.172 17.397 ( 0.914 -1.226 -0.202) 1.543 17.734 ( -5.831 -1.474 0.178) 6.017 17.804 ( 2.928 -0.966 -0.122) 3.085 19.911 ( -7.025 2.055 7.397) 10.406 20.229 ( 14.550 0.586 -9.055) 17.147 20.595 ( -1.153 -1.027 2.483) 2.923 20.654 ( 0.739 -1.298 -2.552) 2.957 27.118 ( -2.962 0.091 0.097) 2.965 27.163 ( 2.703 -0.112 0.065) 2.706 27.617 ( -0.105 0.575 0.746) 0.948 27.633 ( 0.124 0.593 -0.970) 1.144 30.509 ( -3.769 -2.618 2.207) 5.092 30.604 ( 3.077 -2.743 -2.299) 4.720 33.276 ( -1.190 -0.689 3.859) 4.097 33.340 ( 0.431 -3.347 -1.464) 3.678 33.789 ( -1.083 -0.461 4.636) 4.783 33.916 ( 2.191 -4.592 -5.919) 7.805 34.372 ( -4.606 4.323 -2.468) 6.782 34.424 ( 6.095 5.489 1.626) 8.362 35.059 ( -2.173 4.169 6.675) 8.165 35.205 ( 0.925 4.036 -7.439) 8.514 35.910 ( -6.639 -1.467 5.352) 8.653 36.057 ( 2.735 -2.404 -3.150) 4.815 40.377 ( -7.868 12.569 34.794) 37.822 41.140 ( 3.698 9.360 -39.293) 40.561 46.251 ( -0.433 2.374 1.355) 2.767 46.300 ( 1.504 2.428 -2.436) 3.753 ======================= Grid point 196 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.805 -0.000 -23.838) 23.852 0.882 ( 2.376 0.000 -20.921) 21.055 1.351 ( 5.519 0.000 4.644) 7.213 1.536 ( 3.816 0.000 -1.257) 4.018 1.625 ( -9.312 -0.000 9.954) 13.631 1.919 ( -11.663 -0.000 -1.459) 11.754 2.148 ( 2.903 0.000 0.031) 2.903 2.333 ( -1.632 -0.000 -0.292) 1.658 2.443 ( 4.651 0.000 -3.519) 5.832 2.620 ( -3.804 -0.000 1.453) 4.072 2.633 ( 0.747 0.000 8.160) 8.194 2.747 ( 3.530 0.000 0.476) 3.562 2.763 ( 6.872 0.000 11.582) 13.467 2.790 ( 1.874 0.000 -2.053) 2.780 2.877 ( -3.794 -0.000 -4.448) 5.846 2.960 ( -1.108 -0.000 2.198) 2.461 3.038 ( 5.987 0.000 -1.209) 6.108 3.076 ( 1.367 0.000 4.165) 4.383 3.152 ( 2.501 0.000 1.313) 2.824 3.257 ( 3.344 0.000 -6.805) 7.582 3.263 ( 1.305 0.000 -3.221) 3.475 3.320 ( -6.029 -0.000 -0.992) 6.110 3.460 ( 1.934 0.000 2.487) 3.151 3.490 ( 2.571 0.000 -1.841) 3.162 3.497 ( 0.588 0.000 2.259) 2.335 3.673 ( -1.921 -0.000 -4.535) 4.925 3.815 ( -5.554 -0.000 -5.122) 7.556 3.817 ( -2.914 -0.000 -3.991) 4.942 3.908 ( 5.218 0.000 1.404) 5.404 4.067 ( -2.263 -0.000 -1.639) 2.794 4.126 ( -5.162 -0.000 5.331) 7.421 4.129 ( 3.519 0.000 1.929) 4.013 4.354 ( -6.892 -0.000 5.299) 8.693 4.359 ( 0.902 0.000 -3.411) 3.528 4.401 ( -3.675 -0.000 7.355) 8.222 4.465 ( 2.050 0.000 -4.518) 4.961 4.685 ( -3.914 -0.000 -0.606) 3.961 4.779 ( -4.392 -0.000 -1.868) 4.773 4.962 ( -4.158 -0.000 2.392) 4.797 5.013 ( -1.550 -0.000 -0.854) 1.770 9.267 ( 4.561 0.000 -0.145) 4.563 9.275 ( 4.334 0.000 -0.067) 4.334 11.600 ( 29.232 0.000 -18.411) 34.546 11.737 ( 3.421 0.000 16.082) 16.442 12.428 ( -2.185 -0.000 1.050) 2.424 12.478 ( -2.532 -0.000 -1.403) 2.895 12.797 ( 2.411 0.000 -0.937) 2.587 12.799 ( 1.454 0.000 0.595) 1.571 14.916 ( 63.491 0.000 -28.799) 69.717 15.040 ( 27.287 0.000 23.719) 36.155 15.262 ( 7.119 0.000 -2.594) 7.577 15.332 ( 8.164 0.000 9.725) 12.697 17.058 ( -0.308 -0.000 0.515) 0.600 17.163 ( 0.522 0.000 0.171) 0.549 17.220 ( -2.895 -0.000 1.092) 3.094 17.288 ( 2.569 0.000 0.682) 2.657 17.361 ( 0.691 0.000 1.023) 1.235 17.391 ( -6.160 -0.000 -1.354) 6.307 17.613 ( -4.084 -0.000 0.064) 4.085 17.743 ( -3.427 -0.000 -1.518) 3.748 20.373 ( 21.036 0.000 -11.419) 23.936 20.590 ( -2.707 -0.000 1.642) 3.166 20.769 ( 13.883 0.000 37.419) 39.912 21.041 ( 29.916 0.000 -16.057) 33.953 27.066 ( -1.408 -0.000 0.893) 1.667 27.147 ( -1.892 -0.000 -0.619) 1.990 27.596 ( 1.005 0.000 -0.320) 1.055 27.602 ( 0.028 0.000 0.733) 0.734 30.526 ( -3.334 -0.000 4.908) 5.933 30.679 ( 0.011 0.000 -6.248) 6.248 33.346 ( -1.790 -0.000 8.296) 8.487 33.469 ( 1.284 0.000 -5.080) 5.239 33.916 ( 1.310 0.000 9.999) 10.084 34.074 ( 2.095 0.000 -2.636) 3.367 34.092 ( -3.501 -0.000 2.856) 4.518 34.271 ( 1.131 0.000 -0.796) 1.383 34.645 ( -3.985 -0.000 5.338) 6.662 34.856 ( -0.792 -0.000 -5.019) 5.081 35.697 ( -6.064 -0.000 6.034) 8.555 35.927 ( -8.538 -0.000 -4.663) 9.728 39.349 ( -5.811 -0.000 20.930) 21.722 39.994 ( -4.907 -0.000 -11.889) 12.862 46.249 ( 3.177 0.000 -1.348) 3.451 46.259 ( 1.382 0.000 1.927) 2.371 ======================= Grid point 197 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 6.458 -11.761 -7.609) 15.425 1.089 ( 3.962 -16.510 -16.822) 23.901 1.455 ( 5.433 -4.275 -2.235) 7.266 1.545 ( 0.492 0.545 -3.257) 3.339 1.698 ( -4.891 -10.842 4.648) 12.770 1.875 ( -11.763 -7.084 -1.476) 13.810 2.069 ( 4.716 8.728 8.107) 12.812 2.389 ( -3.208 -3.732 0.860) 4.996 2.437 ( 3.983 2.963 -1.233) 5.115 2.576 ( -3.624 1.550 4.795) 6.207 2.618 ( 1.959 3.786 -3.400) 5.452 2.722 ( 4.485 4.736 -2.794) 7.096 2.774 ( -7.281 2.321 -0.322) 7.649 2.792 ( -0.764 -0.102 2.996) 3.094 2.882 ( 0.211 -2.675 0.749) 2.786 2.962 ( 0.291 -2.192 -1.235) 2.533 3.023 ( 5.788 4.096 -1.843) 7.326 3.126 ( -1.040 -4.149 3.880) 5.775 3.213 ( -0.023 0.294 -1.694) 1.720 3.285 ( 1.213 -1.224 2.422) 2.972 3.309 ( 2.757 -1.621 0.262) 3.209 3.338 ( 4.877 -4.805 0.184) 6.849 3.478 ( 1.029 0.430 0.597) 1.265 3.506 ( -2.589 -1.387 -1.147) 3.153 3.535 ( 3.860 -3.259 1.525) 5.277 3.647 ( 0.561 -0.728 -4.022) 4.126 3.744 ( -1.962 4.423 -0.926) 4.927 3.800 ( -2.158 -0.303 -4.087) 4.631 3.979 ( 0.213 -0.351 1.512) 1.566 4.017 ( -3.379 2.186 1.366) 4.250 4.070 ( -1.135 -0.569 -0.373) 1.323 4.157 ( -0.531 -2.959 -0.563) 3.058 4.301 ( -4.358 1.095 5.523) 7.120 4.330 ( 1.287 2.664 -2.403) 3.811 4.419 ( -3.621 -2.555 7.894) 9.053 4.537 ( 1.374 -0.531 -6.015) 6.193 4.634 ( -3.021 -0.108 0.801) 3.127 4.700 ( -2.413 1.230 -1.730) 3.214 4.926 ( -3.198 2.072 4.591) 5.967 5.052 ( -0.627 -2.927 -4.367) 5.294 9.285 ( 4.330 0.241 0.177) 4.340 9.337 ( 1.893 -2.280 -0.359) 2.985 11.536 ( 25.204 15.895 -1.703) 29.846 11.812 ( -2.027 0.446 1.563) 2.598 12.416 ( -1.107 0.021 0.859) 1.402 12.463 ( -2.164 -0.423 -1.206) 2.513 12.794 ( 2.203 0.973 -0.136) 2.412 12.820 ( 0.449 -0.425 -0.111) 0.629 14.793 ( 52.007 32.861 2.570) 61.573 15.212 ( 7.801 2.257 -1.628) 8.282 15.255 ( 1.208 0.260 0.370) 1.290 15.571 ( 7.113 1.698 -0.972) 7.377 17.059 ( 0.435 0.143 0.465) 0.652 17.168 ( 1.117 0.016 1.328) 1.735 17.191 ( -4.293 1.110 0.426) 4.455 17.312 ( 1.351 0.352 0.430) 1.461 17.335 ( -5.160 -0.693 -2.557) 5.800 17.364 ( -0.391 0.172 0.521) 0.674 17.594 ( 0.732 -0.017 0.547) 0.914 17.720 ( -3.584 -0.746 -0.973) 3.788 20.402 ( 16.276 6.097 -3.611) 17.751 20.560 ( -3.647 0.970 1.716) 4.145 20.871 ( 9.636 4.058 15.136) 18.396 21.221 ( 18.224 6.497 -8.349) 21.071 27.068 ( 0.885 -0.945 0.876) 1.563 27.155 ( -2.042 -1.877 -0.527) 2.823 27.606 ( 1.066 -0.302 -0.346) 1.161 27.612 ( -0.189 -0.646 0.405) 0.786 30.507 ( -1.281 0.716 3.881) 4.149 30.661 ( -0.698 0.779 -5.439) 5.539 33.325 ( -1.963 2.029 7.934) 8.421 33.452 ( 1.345 1.830 -5.122) 5.603 33.903 ( 0.784 2.714 9.753) 10.153 34.081 ( -1.497 -0.365 1.610) 2.228 34.167 ( 4.089 -4.727 -4.174) 7.516 34.312 ( -3.055 -4.694 -0.349) 5.611 34.683 ( 0.621 -5.786 2.661) 6.399 34.884 ( -3.152 -4.748 -2.020) 6.046 35.669 ( -3.569 0.010 5.726) 6.748 35.875 ( -6.535 -1.578 -5.262) 8.537 39.531 ( -5.012 -17.036 23.245) 29.251 40.108 ( -2.901 -16.576 -17.072) 23.972 46.266 ( 2.670 -0.289 -0.284) 2.700 46.290 ( 0.433 -1.312 0.574) 1.497 ======================= Grid point 198 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 7.468 -11.035 -2.419) 13.542 1.357 ( -5.337 -11.954 -0.487) 13.100 1.555 ( 8.074 -5.486 -3.044) 10.225 1.657 ( 1.524 -10.576 -10.675) 15.104 1.893 ( 7.684 -7.950 1.556) 11.165 1.968 ( 0.925 3.426 11.977) 12.492 2.042 ( -9.565 -15.990 -0.032) 18.633 2.336 ( -2.117 5.928 -2.909) 6.934 2.428 ( -11.896 -2.832 7.126) 14.153 2.463 ( -3.076 4.552 -0.549) 5.522 2.555 ( 5.638 8.060 -9.524) 13.691 2.646 ( 3.970 2.183 -8.615) 9.734 2.713 ( 2.934 -0.731 2.422) 3.874 2.832 ( 0.363 -1.911 -1.490) 2.450 2.877 ( -4.303 0.842 2.792) 5.198 2.944 ( 1.995 5.411 -2.339) 6.223 3.059 ( 2.881 -3.972 0.945) 4.997 3.165 ( -4.554 -1.017 -1.748) 4.983 3.224 ( 0.386 -1.580 5.691) 5.918 3.332 ( 4.339 1.306 -0.254) 4.538 3.383 ( 0.724 -3.017 2.969) 4.294 3.405 ( 1.768 -0.972 -1.774) 2.687 3.462 ( -1.711 3.232 1.765) 4.061 3.500 ( 0.713 1.076 -0.922) 1.586 3.578 ( 5.142 5.261 0.182) 7.359 3.652 ( 1.194 -0.400 2.494) 2.794 3.704 ( -2.289 -2.740 -1.265) 3.787 3.780 ( -3.962 -1.779 -4.252) 6.078 3.936 ( 1.574 -2.617 1.684) 3.488 4.026 ( -3.317 -0.754 0.283) 3.414 4.119 ( 1.263 -2.483 0.844) 2.911 4.196 ( -2.883 -0.156 -1.435) 3.224 4.278 ( -1.556 -1.034 4.473) 4.847 4.331 ( 0.761 -3.309 0.104) 3.397 4.404 ( -5.015 2.887 2.282) 6.220 4.467 ( 1.566 3.241 -4.385) 5.673 4.643 ( -2.070 -1.946 3.264) 4.327 4.732 ( -1.527 -1.944 -3.619) 4.382 4.887 ( 1.070 -0.116 6.894) 6.978 5.070 ( -0.645 -0.499 -5.952) 6.008 9.320 ( 4.409 -0.176 0.261) 4.420 9.374 ( -1.811 -1.250 -0.141) 2.205 11.437 ( 27.544 14.344 -0.100) 31.056 11.694 ( -9.936 7.084 0.065) 12.203 12.416 ( 0.334 -0.230 0.641) 0.759 12.454 ( -1.998 -0.404 -0.920) 2.236 12.793 ( 2.546 0.976 -0.076) 2.728 12.820 ( -1.144 0.210 -0.010) 1.163 14.564 ( 43.873 27.927 3.554) 52.129 15.079 ( -6.482 20.159 -3.092) 21.400 15.274 ( -0.166 -1.293 0.322) 1.343 15.368 ( -11.870 4.457 -2.714) 12.967 17.071 ( 0.729 -1.189 0.760) 1.588 17.129 ( -3.974 0.503 -0.052) 4.006 17.190 ( 1.548 -0.631 1.891) 2.524 17.284 ( -2.542 0.396 -2.421) 3.532 17.345 ( 0.637 -0.435 -0.066) 0.775 17.360 ( -0.321 -0.054 -0.130) 0.350 17.630 ( 4.336 -1.208 0.696) 4.555 17.712 ( -3.956 -1.398 -0.467) 4.222 20.403 ( 14.337 5.604 -1.935) 15.515 20.498 ( -6.606 2.353 2.034) 7.302 20.831 ( 6.985 7.835 3.089) 10.942 20.983 ( -1.171 18.951 -2.408) 19.139 27.114 ( 2.921 -1.572 0.660) 3.382 27.171 ( -2.271 -1.304 -0.385) 2.647 27.616 ( -0.067 -0.269 0.590) 0.652 27.627 ( 0.534 -0.800 -0.645) 1.158 30.494 ( 1.594 1.388 2.517) 3.287 30.612 ( -2.182 2.229 -3.891) 4.987 33.281 ( -1.783 2.014 6.856) 7.365 33.402 ( 1.139 3.152 -4.441) 5.564 33.871 ( -0.504 2.628 8.425) 8.839 34.048 ( 0.521 3.103 -4.910) 5.832 34.278 ( 5.138 -4.064 -1.406) 6.700 34.391 ( -6.495 -6.717 -1.748) 9.506 34.881 ( 6.856 -9.737 0.894) 11.942 34.973 ( -5.299 -7.370 1.471) 9.196 35.675 ( -0.390 -1.334 6.371) 6.521 35.869 ( -4.492 -2.942 -5.742) 7.862 39.921 ( -6.943 -20.897 26.789) 34.678 40.475 ( 3.896 -22.891 -24.051) 33.431 46.298 ( 2.523 -0.753 -0.482) 2.676 46.313 ( -1.017 -1.300 0.296) 1.677 ======================= Grid point 199 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 1.457 0.095 3.052) 3.383 1.506 ( 1.237 -0.000 -10.608) 10.680 1.689 ( -5.245 -7.083 5.741) 10.519 1.860 ( 5.835 -4.386 -7.697) 10.608 1.908 ( -0.589 0.465 11.582) 11.607 2.137 ( -3.606 1.568 -1.168) 4.102 2.234 ( 4.206 -8.493 1.899) 9.666 2.302 ( -0.324 -8.501 -3.091) 9.052 2.363 ( 1.215 1.535 -5.160) 5.519 2.398 ( -3.395 -1.000 -5.529) 6.565 2.517 ( -4.202 -7.404 4.793) 9.770 2.646 ( -0.874 0.856 -4.183) 4.358 2.769 ( 0.998 1.559 0.285) 1.873 2.794 ( 2.222 1.745 -3.068) 4.171 2.852 ( 1.418 2.487 -0.367) 2.887 2.896 ( 2.854 -1.918 -4.778) 5.887 3.104 ( 0.346 0.846 5.045) 5.127 3.175 ( 0.833 -1.334 -1.840) 2.420 3.197 ( -1.570 5.148 2.423) 5.902 3.276 ( 0.916 5.156 -3.419) 6.254 3.339 ( 0.559 2.899 3.766) 4.786 3.401 ( 2.869 0.919 -1.317) 3.288 3.447 ( -2.166 -1.467 1.266) 2.907 3.467 ( -0.541 -0.938 -0.834) 1.367 3.613 ( -0.406 -1.042 3.712) 3.877 3.657 ( 0.008 1.743 2.068) 2.705 3.751 ( 1.260 -4.301 0.081) 4.482 3.807 ( -1.048 -2.678 -2.922) 4.100 3.993 ( -3.923 -0.012 0.999) 4.048 4.021 ( 2.968 0.159 -1.012) 3.140 4.157 ( 1.795 -0.645 1.794) 2.619 4.186 ( -1.577 -1.645 -0.801) 2.415 4.293 ( -4.418 -1.125 2.840) 5.372 4.319 ( 1.012 1.658 0.579) 2.027 4.413 ( 1.749 -2.813 0.302) 3.326 4.435 ( -2.542 0.092 -1.603) 3.007 4.672 ( -1.515 -1.676 4.444) 4.985 4.739 ( 1.482 -1.180 -1.757) 2.584 4.958 ( 3.177 -2.726 3.018) 5.161 5.052 ( -1.380 0.254 -4.951) 5.146 9.348 ( -1.161 0.733 0.629) 1.510 9.358 ( 0.851 0.341 -0.347) 0.980 11.372 ( -5.488 15.257 1.146) 16.254 11.405 ( 6.281 7.056 -1.884) 9.633 12.430 ( -0.532 -0.708 0.783) 1.182 12.449 ( 0.472 -0.296 -0.946) 1.097 12.793 ( 0.252 1.039 0.164) 1.081 12.797 ( -0.184 0.498 -0.201) 0.567 14.349 ( -11.683 17.949 3.699) 21.734 14.454 ( 14.427 26.768 -5.981) 30.991 15.296 ( -0.279 -0.816 1.157) 1.442 15.321 ( -1.080 -0.863 -1.102) 1.768 17.118 ( 1.288 -1.899 0.540) 2.358 17.123 ( -0.933 -1.882 0.188) 2.109 17.217 ( 1.251 -0.566 1.444) 1.993 17.255 ( -1.786 0.359 -2.009) 2.712 17.350 ( 0.368 0.223 0.354) 0.557 17.360 ( -0.244 -0.141 -0.500) 0.574 17.696 ( 4.456 -1.603 0.616) 4.775 17.708 ( -4.065 -1.407 -0.412) 4.322 20.319 ( -10.700 9.629 3.262) 14.760 20.385 ( 10.830 6.497 -2.584) 12.891 20.674 ( -2.523 7.635 1.838) 8.248 20.721 ( 4.662 7.558 -2.273) 9.167 27.156 ( 1.608 -0.329 0.577) 1.740 27.168 ( -1.378 -0.212 -0.461) 1.469 27.621 ( -0.479 -0.329 0.996) 1.153 27.643 ( 0.644 -0.433 -0.995) 1.262 30.484 ( 0.729 1.344 2.423) 2.865 30.546 ( -0.720 1.919 -3.193) 3.794 33.252 ( -1.219 0.818 5.134) 5.340 33.342 ( 0.730 2.933 -2.887) 4.180 33.829 ( -1.134 2.012 5.475) 5.942 33.962 ( 1.268 4.997 -6.469) 8.272 34.397 ( 3.544 -3.981 2.051) 5.711 34.453 ( -4.372 -4.556 -2.809) 6.911 35.060 ( -3.734 -5.433 2.465) 7.038 35.111 ( 5.023 -7.087 -2.164) 8.952 35.744 ( 2.253 -3.510 7.832) 8.873 35.894 ( -2.680 -3.441 -6.160) 7.548 40.277 ( -7.690 -15.727 28.093) 33.101 40.887 ( 8.822 -17.790 -28.079) 34.390 46.314 ( -0.593 -0.248 0.747) 0.985 46.337 ( 0.997 -1.016 -1.336) 1.952 ======================= Grid point 200 (99/115) ======================= q-point: (-0.22 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -2.121 5.825 1.191) 6.313 1.396 ( 2.209 7.836 -6.304) 10.297 1.745 ( -2.517 -0.946 3.274) 4.237 1.894 ( 2.260 4.007 -7.471) 8.774 1.906 ( -4.331 -2.722 7.416) 9.009 2.075 ( 0.166 1.605 -3.562) 3.910 2.218 ( -2.393 3.369 -0.960) 4.242 2.355 ( -1.605 1.663 -3.980) 4.603 2.408 ( 0.349 -0.721 0.230) 0.834 2.494 ( 0.842 -2.274 -3.436) 4.205 2.624 ( -0.459 -4.431 1.445) 4.683 2.668 ( -1.898 -2.206 1.112) 3.116 2.741 ( 6.378 -2.330 -2.508) 7.238 2.800 ( 0.951 -3.384 -5.527) 6.550 2.911 ( 0.817 -2.637 2.664) 3.836 2.949 ( -1.117 -4.487 -0.777) 4.689 3.069 ( 0.815 3.342 5.857) 6.793 3.116 ( 1.371 0.597 0.109) 1.499 3.198 ( -2.840 0.314 -4.059) 4.964 3.252 ( 4.139 -0.777 -1.962) 4.646 3.312 ( -1.563 -0.097 2.432) 2.892 3.386 ( 1.793 1.806 -1.501) 2.954 3.462 ( -2.838 -2.833 1.577) 4.309 3.526 ( 4.164 -1.961 0.536) 4.634 3.602 ( -4.537 -0.752 0.475) 4.623 3.647 ( 1.851 0.460 2.264) 2.961 3.796 ( -2.536 -0.348 2.174) 3.358 3.821 ( 2.335 2.119 2.203) 3.846 3.921 ( -5.717 1.853 -4.783) 7.681 4.063 ( 9.142 0.101 -0.976) 9.194 4.168 ( -3.471 -1.536 -0.073) 3.796 4.220 ( 1.942 -0.972 -0.611) 2.256 4.314 ( 0.162 -2.985 3.696) 4.753 4.348 ( 0.141 -2.584 1.474) 2.978 4.386 ( -3.007 2.693 -0.127) 4.039 4.451 ( 3.945 0.909 0.364) 4.065 4.713 ( -1.218 -2.585 3.975) 4.896 4.789 ( 2.385 -1.969 -1.581) 3.473 5.008 ( -1.497 -0.165 -1.196) 1.923 5.037 ( 2.228 -0.244 -1.103) 2.498 9.284 ( -5.750 1.636 0.281) 5.985 9.375 ( 5.038 1.411 -0.315) 5.241 10.873 ( -43.216 13.144 3.341) 45.294 11.420 ( 21.492 5.373 -3.264) 22.392 12.429 ( -2.550 -0.687 0.048) 2.642 12.479 ( 3.838 -0.862 -0.150) 3.937 12.752 ( -3.894 1.007 0.100) 4.024 12.804 ( 2.590 0.500 -0.124) 2.640 13.806 ( -27.893 11.753 0.054) 30.268 14.314 ( 33.645 15.553 -2.537) 37.153 15.302 ( -0.115 0.271 1.713) 1.739 15.336 ( 1.174 -0.485 -0.782) 1.491 17.142 ( 0.040 -0.680 1.237) 1.412 17.172 ( 1.179 -1.066 -1.134) 1.952 17.236 ( 0.506 -0.592 0.696) 1.044 17.247 ( 0.150 -0.897 -0.894) 1.275 17.348 ( 0.179 0.113 0.954) 0.977 17.360 ( -0.425 -0.300 -0.737) 0.902 17.691 ( -5.896 -1.094 -0.282) 6.003 17.763 ( 4.340 -1.325 0.347) 4.551 20.058 ( -11.576 7.146 4.604) 14.362 20.334 ( 13.496 6.929 -4.136) 15.725 20.594 ( -0.240 1.783 2.476) 3.061 20.642 ( -0.291 1.765 -2.743) 3.275 27.139 ( -2.690 0.544 -0.027) 2.744 27.176 ( 2.204 0.490 0.075) 2.259 27.625 ( -0.391 -0.194 0.979) 1.072 27.648 ( 0.373 0.082 -0.946) 1.020 30.452 ( -4.085 0.239 1.236) 4.274 30.541 ( 4.036 -0.078 -1.532) 4.317 33.251 ( -0.797 -0.684 3.102) 3.275 33.296 ( 0.343 1.727 -0.655) 1.879 33.807 ( -0.874 -0.050 1.333) 1.595 33.869 ( 1.141 4.024 -3.817) 5.662 34.437 ( -5.727 -1.417 -0.715) 5.943 34.526 ( 7.131 -1.061 0.941) 7.271 35.103 ( -5.374 -2.309 2.852) 6.507 35.233 ( 4.261 -2.474 -3.915) 6.293 35.832 ( -2.509 -3.040 5.182) 6.511 35.950 ( 3.060 -3.421 -3.242) 5.619 40.496 ( -7.191 -7.002 29.226) 30.901 41.155 ( 8.691 -8.118 -30.608) 32.837 46.308 ( -1.089 0.378 1.069) 1.572 46.351 ( 1.218 0.134 -1.889) 2.251 ======================= Grid point 201 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -3.925 7.803 -1.478) 8.859 1.264 ( 9.169 9.882 -0.182) 13.482 1.722 ( -2.567 3.384 2.245) 4.804 1.768 ( 0.291 4.381 1.929) 4.796 1.942 ( 0.701 0.020 -1.186) 1.378 2.054 ( 4.821 2.770 -6.285) 8.391 2.165 ( -7.978 -0.538 0.501) 8.012 2.318 ( 0.276 -1.570 -4.279) 4.566 2.355 ( -0.304 2.568 -4.924) 5.562 2.483 ( 4.575 1.587 -3.261) 5.838 2.618 ( -1.579 2.849 3.098) 4.495 2.745 ( -1.351 0.016 -3.368) 3.629 2.815 ( -0.898 -3.549 1.183) 3.848 2.863 ( 1.599 -3.189 2.624) 4.428 2.992 ( -4.456 -5.495 0.442) 7.088 3.051 ( 1.790 -4.882 1.535) 5.422 3.069 ( 2.059 0.296 5.260) 5.656 3.124 ( 1.327 3.138 -4.509) 5.652 3.160 ( -2.374 -1.714 -0.795) 3.034 3.259 ( 1.406 -0.571 0.982) 1.807 3.299 ( 0.109 2.037 1.768) 2.699 3.378 ( -0.644 -0.808 -1.285) 1.649 3.532 ( -0.798 -3.408 2.233) 4.152 3.563 ( -0.955 -0.200 -1.105) 1.474 3.583 ( -0.787 0.608 -0.327) 1.047 3.666 ( -0.087 -1.205 -0.267) 1.237 3.721 ( -1.506 5.859 -1.825) 6.319 3.828 ( -5.333 -3.348 5.668) 8.472 3.894 ( 8.424 -0.083 -4.757) 9.674 4.079 ( -1.689 2.169 -0.865) 2.882 4.164 ( -0.294 0.674 -0.003) 0.735 4.254 ( 0.606 -1.914 -0.601) 2.095 4.298 ( -0.997 3.722 1.213) 4.039 4.392 ( -0.611 -2.934 -2.125) 3.674 4.426 ( 1.184 -0.490 2.512) 2.820 4.494 ( 10.292 -5.321 3.589) 12.130 4.741 ( -2.052 -0.205 4.294) 4.763 4.824 ( 1.863 -0.083 -1.480) 2.381 4.967 ( -3.172 1.153 -3.894) 5.153 5.063 ( 3.414 0.248 0.369) 3.443 9.215 ( -3.804 1.798 0.032) 4.208 9.374 ( 5.011 2.537 -0.176) 5.619 10.270 ( -47.180 13.447 4.404) 49.256 11.505 ( 18.050 0.716 -2.795) 18.279 12.425 ( -2.343 -0.951 -0.150) 2.533 12.533 ( 4.594 -1.355 0.020) 4.790 12.700 ( -4.766 1.075 0.097) 4.886 12.812 ( 2.248 0.573 -0.101) 2.322 13.498 ( -11.896 5.514 0.318) 13.115 14.325 ( 32.486 8.173 -3.047) 33.636 15.291 ( 0.517 1.248 1.605) 2.098 15.351 ( 2.739 0.260 -0.700) 2.840 17.140 ( 0.224 1.158 1.533) 1.934 17.169 ( 0.532 1.146 -1.558) 2.006 17.252 ( -0.054 -0.799 0.325) 0.864 17.284 ( 1.814 -1.459 -0.573) 2.397 17.349 ( -1.002 0.013 0.864) 1.323 17.372 ( 0.105 -1.517 0.015) 1.520 17.661 ( -6.847 -0.927 -0.306) 6.916 17.810 ( 2.502 -0.681 0.131) 2.596 19.907 ( -6.754 2.319 4.307) 8.339 20.343 ( 14.727 1.673 -4.345) 15.446 20.581 ( -0.829 -0.157 2.666) 2.797 20.627 ( -0.565 -0.794 -2.410) 2.599 27.107 ( -2.300 0.646 0.022) 2.389 27.183 ( 1.962 0.268 0.095) 1.983 27.625 ( -0.242 0.161 0.848) 0.896 27.643 ( 0.231 0.434 -0.835) 0.969 30.436 ( -4.260 -1.653 0.801) 4.639 30.584 ( 3.399 -1.509 -1.021) 3.857 33.264 ( -1.205 -0.401 1.738) 2.152 33.292 ( 0.476 -1.408 0.908) 1.742 33.797 ( -0.643 0.920 0.114) 1.128 33.851 ( 1.765 -2.090 -2.693) 3.838 34.392 ( -4.407 1.566 -1.980) 5.079 34.568 ( 7.811 3.057 2.251) 8.685 35.084 ( -5.272 0.575 3.208) 6.198 35.262 ( 2.502 1.380 -4.521) 5.348 35.837 ( -7.089 -1.227 1.924) 7.447 36.038 ( 4.392 -2.210 0.084) 4.918 40.534 ( -7.603 3.124 31.586) 32.638 41.214 ( 5.562 1.856 -33.470) 33.979 46.287 ( -0.612 1.323 1.047) 1.794 46.344 ( 1.451 1.241 -1.942) 2.724 ======================= Grid point 206 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.744 0.000 -16.046) 16.063 0.846 ( 0.590 0.000 -14.578) 14.590 1.473 ( 7.924 0.000 -0.876) 7.972 1.525 ( -6.444 -0.000 6.085) 8.863 1.577 ( 5.543 0.000 -6.832) 8.798 1.705 ( -13.206 -0.000 -2.138) 13.378 2.244 ( 5.917 0.000 5.891) 8.349 2.303 ( -3.624 -0.000 4.684) 5.922 2.511 ( 4.465 0.000 -0.607) 4.506 2.590 ( -0.875 -0.000 -2.984) 3.110 2.639 ( -2.085 -0.000 7.931) 8.200 2.729 ( -4.929 -0.000 2.055) 5.340 2.806 ( -2.398 -0.000 -2.700) 3.611 2.820 ( 5.469 0.000 -0.512) 5.493 2.858 ( 2.277 0.000 -3.362) 4.061 2.881 ( -8.318 -0.000 0.228) 8.321 3.093 ( -0.951 -0.000 4.292) 4.396 3.154 ( 3.734 0.000 -0.876) 3.835 3.213 ( 4.554 0.000 2.122) 5.024 3.265 ( -0.093 -0.000 1.365) 1.369 3.312 ( 6.869 0.000 0.591) 6.894 3.321 ( 5.848 0.000 -2.932) 6.542 3.485 ( -3.565 -0.000 -2.705) 4.475 3.512 ( 2.732 0.000 2.904) 3.987 3.515 ( 0.784 0.000 2.204) 2.340 3.613 ( -2.671 -0.000 -8.260) 8.681 3.721 ( -2.924 -0.000 -3.544) 4.594 3.758 ( -3.192 -0.000 -3.081) 4.436 3.992 ( 4.585 0.000 0.025) 4.585 4.034 ( -1.337 -0.000 -1.092) 1.727 4.079 ( -2.314 -0.000 6.697) 7.085 4.173 ( 1.235 0.000 0.287) 1.268 4.294 ( -4.307 -0.000 5.713) 7.155 4.334 ( -3.935 -0.000 2.391) 4.605 4.380 ( -0.723 -0.000 3.009) 3.095 4.485 ( 3.362 0.000 -5.686) 6.605 4.652 ( -0.211 -0.000 -0.409) 0.460 4.706 ( -3.820 -0.000 -2.100) 4.359 4.941 ( -0.457 -0.000 2.613) 2.653 5.002 ( 0.121 0.000 -2.446) 2.449 9.318 ( 2.023 0.000 -0.192) 2.032 9.321 ( 1.557 0.000 -0.113) 1.562 11.747 ( -7.234 -0.000 11.321) 13.435 11.839 ( 12.315 0.000 -9.947) 15.831 12.410 ( -0.791 -0.000 1.241) 1.471 12.446 ( -0.960 -0.000 -1.459) 1.747 12.812 ( 0.110 0.000 0.513) 0.525 12.821 ( 1.182 0.000 -0.854) 1.458 15.235 ( 1.967 0.000 -0.047) 1.967 15.239 ( 3.123 0.000 1.083) 3.306 15.482 ( -7.084 -0.000 25.447) 26.415 15.709 ( 40.307 0.000 -24.957) 47.408 17.090 ( 4.791 0.000 0.337) 4.803 17.166 ( -0.941 -0.000 0.589) 1.110 17.189 ( -1.623 -0.000 0.323) 1.655 17.259 ( -7.460 -0.000 -3.786) 8.366 17.340 ( 3.255 0.000 0.723) 3.334 17.367 ( -0.392 -0.000 0.692) 0.795 17.598 ( 1.228 0.000 1.318) 1.801 17.685 ( -3.290 -0.000 -1.982) 3.841 20.539 ( 7.189 0.000 -5.318) 8.942 20.539 ( -5.560 -0.000 2.955) 6.297 20.969 ( -5.193 -0.000 35.392) 35.771 21.536 ( 43.313 0.000 -36.194) 56.445 27.062 ( 0.456 0.000 1.396) 1.468 27.116 ( -1.678 -0.000 -1.062) 1.985 27.603 ( -0.259 -0.000 0.601) 0.654 27.612 ( 1.373 0.000 -0.965) 1.678 30.505 ( -1.772 -0.000 5.615) 5.888 30.657 ( 0.455 0.000 -7.133) 7.148 33.347 ( -1.929 -0.000 7.863) 8.097 33.472 ( 1.476 0.000 -4.739) 4.964 33.991 ( 2.136 0.000 11.710) 11.903 34.065 ( -0.689 -0.000 5.116) 5.162 34.094 ( 1.869 0.000 -3.061) 3.586 34.264 ( -1.490 -0.000 -2.455) 2.872 34.614 ( -2.759 -0.000 6.198) 6.784 34.814 ( -1.350 -0.000 -8.061) 8.174 35.657 ( -2.068 -0.000 5.556) 5.928 35.809 ( -4.089 -0.000 -5.346) 6.731 39.374 ( -1.032 -0.000 21.532) 21.557 39.878 ( -3.345 -0.000 -15.512) 15.868 46.273 ( -0.439 -0.000 1.649) 1.706 46.289 ( 2.664 0.000 -1.596) 3.106 ======================= Grid point 207 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -4.750 -17.099 -1.586) 17.817 1.079 ( 0.941 -17.846 -13.578) 22.444 1.474 ( -7.819 -2.394 -0.431) 8.189 1.540 ( 3.078 -1.848 -2.541) 4.398 1.700 ( 6.917 -8.351 -2.139) 11.053 1.752 ( 0.964 -9.374 -3.938) 10.213 2.202 ( 4.305 7.404 11.160) 14.068 2.304 ( -7.338 -1.116 4.757) 8.816 2.447 ( -6.123 6.817 2.699) 9.552 2.555 ( 1.221 4.546 1.946) 5.093 2.638 ( 1.907 -1.247 -5.257) 5.730 2.702 ( -0.028 0.483 -1.971) 2.030 2.774 ( 2.768 4.796 -2.562) 6.101 2.812 ( 2.540 -2.329 4.223) 5.451 2.836 ( -3.811 0.631 -1.685) 4.215 2.959 ( 0.411 -6.026 -5.205) 7.973 3.065 ( 0.675 3.174 3.319) 4.642 3.132 ( 0.547 1.574 -1.232) 2.072 3.223 ( 1.018 0.880 1.679) 2.152 3.314 ( -0.191 -2.904 -3.255) 4.366 3.341 ( 0.648 -1.806 3.017) 3.575 3.423 ( -3.178 -1.609 -2.265) 4.221 3.426 ( 3.403 -0.571 2.413) 4.210 3.493 ( 1.684 0.991 -1.314) 2.355 3.602 ( 3.588 -5.149 0.956) 6.348 3.647 ( -1.049 -3.853 -3.316) 5.191 3.726 ( -0.541 0.692 -0.679) 1.110 3.759 ( -0.662 -1.031 -2.942) 3.187 3.945 ( -2.096 5.958 4.013) 7.484 4.011 ( 0.324 2.529 -1.797) 3.119 4.090 ( 2.836 -2.442 2.118) 4.300 4.136 ( -1.759 -1.076 -1.533) 2.569 4.256 ( -3.521 0.448 5.516) 6.559 4.350 ( 2.469 1.586 -3.316) 4.427 4.386 ( -4.810 -1.907 8.851) 10.252 4.562 ( 4.787 -0.099 -6.685) 8.223 4.615 ( 0.004 1.348 1.954) 2.374 4.663 ( -1.313 -0.941 -2.075) 2.630 4.917 ( -1.051 1.564 5.710) 6.013 5.035 ( 0.689 -2.021 -5.359) 5.769 9.332 ( 1.555 -0.744 0.171) 1.732 9.338 ( -1.646 -0.916 -0.267) 1.903 11.653 ( -11.084 4.289 9.545) 15.244 11.841 ( 9.434 6.380 -7.751) 13.776 12.411 ( -0.180 -0.246 1.293) 1.328 12.441 ( 0.052 -0.172 -1.449) 1.460 12.810 ( -0.656 0.138 0.456) 0.811 12.823 ( 0.642 0.326 -0.671) 0.985 15.184 ( -10.994 16.424 17.310) 26.273 15.251 ( -0.912 -0.060 0.225) 0.941 15.279 ( -7.966 1.553 3.053) 8.671 15.669 ( 22.625 24.042 -21.486) 39.390 17.097 ( 2.407 1.775 0.812) 3.098 17.125 ( -0.788 2.129 -1.683) 2.826 17.192 ( 0.705 -1.175 2.236) 2.623 17.249 ( -1.759 -1.385 -3.151) 3.865 17.350 ( 0.575 0.456 0.555) 0.920 17.361 ( 0.266 0.319 -0.369) 0.555 17.634 ( 3.435 -1.521 1.169) 3.934 17.664 ( -3.010 -0.579 -1.498) 3.411 20.478 ( -8.659 1.444 3.878) 9.597 20.547 ( 5.490 2.434 -2.542) 6.521 20.938 ( -10.802 3.045 20.715) 23.560 21.524 ( 30.748 23.009 -32.307) 50.186 27.097 ( 2.207 -2.199 1.068) 3.294 27.121 ( -1.934 -1.567 -0.955) 2.666 27.607 ( -0.511 -0.477 0.302) 0.761 27.622 ( 1.277 -0.187 -0.955) 1.606 30.513 ( -0.136 -0.434 4.732) 4.754 30.634 ( 0.216 1.561 -6.266) 6.461 33.323 ( -1.908 2.081 7.596) 8.104 33.456 ( 1.478 1.973 -4.830) 5.423 33.951 ( 0.570 4.150 9.939) 10.785 34.061 ( -1.534 -0.197 -0.017) 1.547 34.226 ( 5.062 -6.193 -1.123) 8.077 34.251 ( -3.901 -1.876 -2.256) 4.881 34.720 ( 0.982 -10.035 4.835) 11.182 34.826 ( -1.572 -3.894 -4.589) 6.220 35.665 ( 0.252 -0.687 6.172) 6.215 35.794 ( -1.281 -1.408 -5.651) 5.963 39.566 ( -1.754 -14.666 23.571) 27.817 40.032 ( 2.221 -19.146 -19.477) 27.402 46.280 ( -1.264 -1.033 0.963) 1.896 46.306 ( 2.153 -0.227 -1.398) 2.577 ======================= Grid point 208 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -8.140 -18.911 0.155) 20.589 1.303 ( -0.955 -6.557 2.060) 6.939 1.569 ( -2.602 -1.232 -5.498) 6.206 1.653 ( -0.724 -18.182 -8.735) 20.184 1.904 ( -1.265 -10.381 -1.848) 10.620 2.043 ( 6.533 -12.540 1.451) 14.214 2.080 ( 2.344 7.813 14.073) 16.266 2.230 ( -6.839 2.302 -6.568) 9.758 2.314 ( -2.386 0.700 9.010) 9.347 2.430 ( -2.858 4.989 0.410) 5.764 2.621 ( 6.715 8.543 -7.237) 13.055 2.681 ( 3.478 0.662 -6.500) 7.402 2.768 ( -2.685 1.784 -0.100) 3.225 2.788 ( 2.329 -2.890 1.168) 3.891 2.909 ( 5.472 -0.938 -2.112) 5.940 2.946 ( 0.562 3.924 -3.051) 5.002 3.078 ( -3.918 -1.977 -0.581) 4.427 3.132 ( 3.473 -3.370 1.201) 4.986 3.238 ( -1.572 -0.751 5.960) 6.209 3.344 ( -0.916 -0.765 -4.676) 4.826 3.393 ( -0.540 -0.318 0.444) 0.768 3.418 ( 0.856 -0.044 -1.381) 1.625 3.455 ( -0.463 -0.578 2.657) 2.758 3.507 ( 0.419 3.279 0.023) 3.306 3.593 ( -5.495 5.214 -1.472) 7.717 3.688 ( 3.045 -2.382 2.826) 4.788 3.700 ( 4.406 -0.525 -0.903) 4.528 3.722 ( -1.028 -0.856 -2.379) 2.729 3.963 ( -2.515 -0.478 0.277) 2.575 4.001 ( 2.466 -4.431 1.411) 5.264 4.150 ( -1.528 -0.730 -1.476) 2.246 4.155 ( 2.458 -1.337 1.586) 3.216 4.256 ( -3.295 -1.466 5.120) 6.263 4.355 ( 0.656 -1.626 2.802) 3.305 4.358 ( -0.666 1.122 -0.390) 1.361 4.493 ( 3.749 5.767 -3.459) 7.699 4.642 ( -0.296 -1.693 4.234) 4.569 4.714 ( 0.852 -2.565 -3.022) 4.054 4.932 ( 1.422 -2.102 5.673) 6.215 5.046 ( 0.955 0.287 -6.602) 6.676 9.322 ( -4.772 0.106 0.107) 4.774 9.368 ( 1.474 -1.454 0.358) 2.101 11.386 ( -29.304 10.997 3.461) 31.490 11.745 ( 11.913 9.530 -3.498) 15.651 12.414 ( -0.872 -0.114 0.771) 1.170 12.454 ( 2.332 -0.554 -0.857) 2.545 12.790 ( -2.550 0.782 0.101) 2.669 12.822 ( 1.226 0.351 -0.210) 1.293 14.516 ( -44.831 25.008 6.177) 51.705 15.163 ( 8.527 16.797 -7.873) 20.417 15.288 ( -0.284 -1.569 -0.846) 1.805 15.352 ( 17.193 12.057 -1.988) 21.093 17.088 ( -0.720 -0.924 -0.454) 1.256 17.124 ( 5.444 0.471 0.243) 5.470 17.221 ( 0.455 -0.881 1.455) 1.761 17.243 ( -0.295 0.474 -1.296) 1.411 17.347 ( -0.724 -0.353 -0.063) 0.808 17.361 ( 0.762 0.169 -0.391) 0.873 17.649 ( -3.973 -0.838 -0.897) 4.158 17.701 ( 4.447 -1.767 0.531) 4.815 20.343 ( -15.274 4.622 2.946) 16.228 20.536 ( 5.115 2.427 -1.111) 5.769 20.770 ( -8.898 6.615 4.282) 11.886 21.164 ( 19.598 25.780 -13.653) 35.144 27.130 ( -2.624 -1.139 -0.662) 2.936 27.160 ( 2.607 -1.700 0.476) 3.148 27.611 ( -0.651 -0.362 0.544) 0.922 27.637 ( 0.928 -0.536 -1.033) 1.489 30.511 ( -1.501 1.502 2.236) 3.083 30.591 ( 2.198 2.088 -3.364) 4.529 33.281 ( -1.502 1.967 6.662) 7.107 33.404 ( 1.155 3.260 -4.249) 5.478 33.887 ( -1.499 3.748 8.718) 9.607 34.033 ( -0.006 2.380 -5.677) 6.156 34.285 ( -4.950 -4.925 -1.323) 7.107 34.372 ( 6.255 -5.293 -0.512) 8.210 34.884 ( -6.725 -7.993 0.685) 10.468 34.996 ( 7.538 -9.591 -0.495) 12.209 35.714 ( 1.753 -2.156 6.997) 7.528 35.821 ( 1.748 -2.485 -5.568) 6.343 39.924 ( -5.298 -19.005 25.881) 32.544 40.498 ( 11.238 -24.563 -25.346) 37.041 46.289 ( -2.034 -1.066 0.211) 2.306 46.329 ( 1.756 -0.769 -1.045) 2.183 ======================= Grid point 209 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -3.094 2.259 3.878) 5.451 1.461 ( -0.327 -2.495 -10.343) 10.645 1.587 ( -8.418 -10.896 4.610) 14.520 1.894 ( 1.828 -2.263 -8.990) 9.449 1.912 ( -3.619 3.861 12.573) 13.641 2.069 ( -6.345 -10.223 -4.027) 12.688 2.201 ( -4.566 -0.794 4.627) 6.549 2.240 ( -3.619 -4.550 -3.964) 7.036 2.370 ( 4.430 -5.544 -4.194) 8.243 2.475 ( 3.940 7.327 -2.086) 8.576 2.556 ( 8.299 -11.530 2.071) 14.356 2.603 ( -1.965 4.856 1.271) 5.391 2.721 ( -2.427 0.610 -0.924) 2.667 2.852 ( -0.611 2.377 -1.779) 3.031 2.901 ( 6.163 -1.446 0.579) 6.357 2.927 ( 3.714 0.565 -7.129) 8.058 3.123 ( 0.216 -1.356 2.574) 2.918 3.187 ( -0.634 4.722 2.459) 5.362 3.207 ( 4.852 -1.252 -3.009) 5.845 3.263 ( -1.165 5.527 -2.127) 6.036 3.355 ( 1.094 3.807 -0.430) 3.984 3.386 ( -3.292 0.244 -1.077) 3.472 3.443 ( 2.821 -0.258 1.124) 3.048 3.517 ( 2.632 -2.290 1.327) 3.733 3.542 ( -4.829 -1.067 0.378) 4.960 3.695 ( 0.712 2.223 3.250) 4.001 3.741 ( -5.001 -2.477 -0.132) 5.582 3.807 ( 2.071 -3.922 -0.726) 4.495 3.937 ( 1.279 1.653 -0.771) 2.228 4.082 ( 0.129 -3.197 -0.239) 3.208 4.169 ( 1.369 -0.260 -0.947) 1.685 4.193 ( 1.275 -0.164 1.633) 2.078 4.252 ( -2.254 -1.467 3.650) 4.534 4.354 ( 2.030 -0.150 2.658) 3.347 4.397 ( -1.415 -0.196 -1.631) 2.168 4.469 ( 5.018 -1.300 2.516) 5.762 4.673 ( -0.016 -1.435 3.574) 3.851 4.769 ( 3.017 -2.008 -1.666) 3.989 4.988 ( 0.398 -0.807 -2.107) 2.291 5.042 ( 2.263 -0.552 -1.734) 2.904 9.266 ( -6.073 1.119 0.312) 6.183 9.406 ( 1.690 -1.049 0.278) 2.008 10.802 ( -49.880 15.703 -0.438) 52.295 11.663 ( 11.045 7.309 -1.176) 13.296 12.408 ( -1.117 -0.023 0.201) 1.135 12.492 ( 3.950 -0.914 -0.218) 4.061 12.745 ( -3.895 1.300 -0.067) 4.107 12.826 ( 1.280 0.221 -0.061) 1.300 13.828 ( -31.503 13.533 0.274) 34.287 14.863 ( 15.914 19.134 -5.837) 25.562 15.315 ( 0.574 -1.000 -0.638) 1.318 15.336 ( 4.421 1.271 2.911) 5.444 17.117 ( 0.537 -1.831 0.073) 1.910 17.166 ( 3.434 -0.691 -0.388) 3.525 17.227 ( -0.503 -0.583 -1.340) 1.546 17.249 ( 2.628 0.226 1.999) 3.310 17.348 ( -0.620 -0.168 -0.207) 0.675 17.361 ( 0.460 0.339 -0.040) 0.573 17.629 ( -5.033 -0.706 -0.701) 5.130 17.766 ( 3.691 -1.566 0.313) 4.022 20.105 ( -14.592 6.841 2.065) 16.248 20.523 ( 5.092 2.838 -0.750) 5.878 20.644 ( -1.573 2.803 0.511) 3.254 20.823 ( 8.060 17.786 -4.826) 20.114 27.121 ( -2.733 -0.222 -0.374) 2.768 27.195 ( 1.646 -0.186 0.171) 1.665 27.616 ( -0.540 -0.463 0.862) 1.117 27.648 ( 0.513 -0.237 -1.105) 1.241 30.450 ( -3.202 2.258 0.355) 3.934 30.582 ( 3.926 1.190 -0.830) 4.185 33.255 ( -0.888 0.856 4.899) 5.052 33.343 ( 0.689 2.923 -2.643) 4.000 33.826 ( -1.745 2.326 5.517) 6.237 33.952 ( 0.594 4.431 -6.488) 7.879 34.337 ( -4.728 -4.069 -1.338) 6.380 34.527 ( 7.212 -4.759 1.998) 8.869 34.978 ( -6.404 -6.228 1.650) 9.084 35.186 ( 4.839 -5.288 -3.312) 7.896 35.769 ( -1.426 -1.893 2.162) 3.209 35.911 ( 6.371 -3.940 -0.363) 7.500 40.272 ( -6.304 -15.457 27.777) 32.407 40.950 ( 13.204 -15.998 -29.598) 36.143 46.293 ( -1.821 -0.809 0.384) 2.029 46.352 ( 1.077 -0.620 -1.393) 1.866 ======================= Grid point 210 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -8.767 5.584 1.130) 10.455 1.453 ( 5.196 3.703 -6.764) 9.299 1.717 ( -1.524 -3.090 0.913) 3.564 1.860 ( -0.019 -0.797 2.393) 2.522 1.910 ( -1.665 2.751 0.102) 3.217 2.073 ( -0.028 1.123 -0.219) 1.145 2.200 ( 0.787 3.072 -2.550) 4.069 2.264 ( -6.803 -4.199 -6.779) 10.481 2.347 ( -5.202 1.034 1.008) 5.399 2.492 ( 0.244 -1.708 -1.876) 2.549 2.647 ( -1.155 -3.083 2.396) 4.072 2.696 ( 6.523 -4.236 -1.950) 8.019 2.768 ( -2.560 0.282 -1.138) 2.815 2.851 ( 8.089 -2.643 -3.161) 9.077 2.914 ( 0.525 0.702 2.327) 2.487 2.970 ( 1.145 -2.951 2.095) 3.795 3.110 ( 1.315 2.856 2.870) 4.257 3.138 ( -3.104 1.739 -4.049) 5.390 3.159 ( 4.319 0.624 2.122) 4.852 3.288 ( 0.610 0.384 -2.407) 2.512 3.309 ( 0.567 -0.524 0.287) 0.824 3.391 ( 0.699 -1.392 -3.513) 3.843 3.453 ( -0.243 0.068 5.311) 5.317 3.534 ( -2.702 -1.407 -1.015) 3.211 3.573 ( 0.863 -0.947 -0.880) 1.555 3.667 ( -0.667 1.062 2.457) 2.759 3.735 ( -4.714 -2.485 3.280) 6.258 3.831 ( -0.613 3.554 0.419) 3.631 3.935 ( 6.975 -0.219 -4.288) 8.190 4.089 ( -5.151 1.034 -0.611) 5.289 4.159 ( 2.383 0.051 -0.769) 2.505 4.222 ( -1.161 -1.021 -1.023) 1.854 4.313 ( -0.051 -4.234 0.632) 4.281 4.372 ( 0.489 2.336 1.981) 3.102 4.401 ( 2.089 -2.272 3.553) 4.707 4.545 ( 6.691 -0.683 4.349) 8.010 4.714 ( 0.058 -1.669 3.204) 3.613 4.822 ( 2.804 -1.439 -2.374) 3.946 4.963 ( -1.357 1.588 -5.581) 5.959 5.080 ( 2.085 -0.858 0.804) 2.394 9.209 ( -3.771 0.538 0.095) 3.811 9.430 ( 2.057 0.137 -0.119) 2.065 10.172 ( -42.567 10.590 1.842) 43.903 11.627 ( 7.744 3.300 -1.477) 8.546 12.402 ( -0.973 -0.186 -0.019) 0.991 12.545 ( 4.743 -1.118 0.027) 4.873 12.686 ( -4.787 1.314 -0.085) 4.964 12.831 ( 1.040 0.152 -0.062) 1.053 13.507 ( -12.013 4.512 0.129) 12.833 14.675 ( 13.057 10.164 -4.165) 17.063 15.324 ( 1.476 0.786 1.111) 2.008 15.359 ( 1.758 -0.735 1.009) 2.156 17.150 ( 0.205 -0.740 1.064) 1.312 17.182 ( 0.519 0.065 -1.584) 1.668 17.245 ( 0.561 -0.532 0.279) 0.822 17.279 ( 4.221 -0.638 0.337) 4.282 17.348 ( -0.644 -0.618 -0.153) 0.906 17.353 ( -0.166 0.655 0.582) 0.892 17.599 ( -5.332 -0.454 -0.606) 5.386 17.813 ( 2.071 -0.874 0.200) 2.257 19.919 ( -7.456 3.637 2.725) 8.732 20.501 ( 7.765 3.979 -1.559) 8.863 20.604 ( 1.033 3.840 0.651) 4.029 20.619 ( -1.590 2.419 -2.423) 3.775 27.102 ( -1.900 0.277 -0.153) 1.927 27.201 ( 0.920 0.336 0.094) 0.984 27.622 ( -0.345 -0.309 0.890) 1.003 27.649 ( 0.241 0.164 -0.938) 0.983 30.399 ( -2.567 0.610 0.360) 2.663 30.594 ( 2.775 0.172 -0.548) 2.834 33.251 ( -0.567 -0.210 2.566) 2.637 33.300 ( 0.201 1.432 -0.088) 1.449 33.797 ( -0.863 0.353 0.914) 1.305 33.872 ( 0.771 2.864 -3.372) 4.491 34.360 ( -3.268 -1.524 -1.439) 3.883 34.648 ( 6.723 -1.386 2.703) 7.378 35.025 ( -5.187 -2.822 1.696) 6.143 35.272 ( 2.425 -1.580 -3.647) 4.656 35.776 ( -3.654 -0.728 0.173) 3.730 36.029 ( 5.276 -2.755 1.441) 6.123 40.496 ( -6.753 -6.911 29.381) 30.929 41.185 ( 9.896 -4.818 -31.382) 33.256 46.294 ( -1.030 -0.173 0.702) 1.258 46.362 ( 0.785 0.064 -1.674) 1.850 ======================= Grid point 216 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -9.159 -0.000 -4.600) 10.249 0.756 ( -7.712 -0.000 -12.449) 14.644 1.455 ( -6.527 -0.000 5.068) 8.263 1.473 ( -2.436 -0.000 -1.569) 2.898 1.692 ( 11.242 0.000 -7.416) 13.468 1.711 ( 15.161 0.000 -4.048) 15.692 2.228 ( -10.342 -0.000 7.881) 13.002 2.303 ( -1.669 -0.000 4.928) 5.203 2.527 ( -5.756 -0.000 -4.429) 7.262 2.552 ( 1.770 0.000 2.545) 3.101 2.696 ( 5.134 0.000 8.415) 9.857 2.703 ( 1.416 0.000 1.908) 2.376 2.759 ( -7.420 -0.000 1.422) 7.555 2.780 ( 0.033 0.000 -1.366) 1.366 2.868 ( 1.969 0.000 -5.476) 5.819 2.910 ( 6.378 0.000 -0.982) 6.453 3.088 ( -1.567 -0.000 4.100) 4.389 3.159 ( -0.327 -0.000 -1.075) 1.124 3.267 ( 0.091 0.000 -3.590) 3.591 3.267 ( 0.688 0.000 -1.807) 1.934 3.366 ( -6.462 -0.000 -5.590) 8.544 3.370 ( 0.363 0.000 2.327) 2.355 3.454 ( 6.414 0.000 5.125) 8.210 3.523 ( -1.330 -0.000 -6.632) 6.764 3.549 ( 1.471 0.000 -0.363) 1.516 3.562 ( 1.429 0.000 -3.681) 3.949 3.696 ( -3.625 -0.000 -1.643) 3.980 3.716 ( 1.700 0.000 1.033) 1.989 4.010 ( -1.658 -0.000 -1.766) 2.422 4.028 ( 1.206 0.000 -0.250) 1.231 4.120 ( 3.028 0.000 5.323) 6.124 4.188 ( 2.969 0.000 -2.650) 3.980 4.252 ( -3.915 -0.000 5.522) 6.770 4.284 ( -4.797 -0.000 7.934) 9.272 4.402 ( 3.183 0.000 -1.151) 3.385 4.519 ( 2.987 0.000 -4.175) 5.133 4.663 ( -0.790 -0.000 -1.059) 1.321 4.678 ( 3.740 0.000 -0.052) 3.741 4.953 ( 0.512 0.000 2.567) 2.618 4.991 ( -0.359 -0.000 -2.627) 2.652 9.317 ( -1.954 -0.000 -0.125) 1.958 9.321 ( -1.516 -0.000 -0.161) 1.525 11.608 ( -17.563 -0.000 11.274) 20.871 11.951 ( 7.429 0.000 -7.672) 10.680 12.415 ( 0.853 0.000 1.412) 1.650 12.439 ( 0.671 0.000 -1.440) 1.589 12.806 ( -1.226 -0.000 0.517) 1.330 12.826 ( -0.136 -0.000 -0.727) 0.739 15.179 ( -36.252 -0.000 15.525) 39.437 15.238 ( -1.074 -0.000 0.224) 1.097 15.274 ( -5.265 -0.000 5.167) 7.377 16.011 ( 10.662 0.000 -21.784) 24.254 17.110 ( -3.951 -0.000 -1.246) 4.143 17.165 ( -0.528 -0.000 1.705) 1.784 17.216 ( 1.551 0.000 -2.157) 2.657 17.217 ( 9.958 0.000 -1.240) 10.035 17.352 ( -1.723 -0.000 -0.313) 1.751 17.377 ( 1.308 0.000 -0.220) 1.326 17.638 ( -1.509 -0.000 -2.412) 2.845 17.645 ( 3.775 0.000 1.767) 4.168 20.421 ( -13.364 -0.000 6.359) 14.800 20.597 ( 3.314 0.000 -2.941) 4.431 20.907 ( -13.911 -0.000 22.054) 26.074 21.944 ( 28.429 0.000 -53.785) 60.836 27.087 ( 1.881 0.000 1.612) 2.478 27.094 ( -0.584 -0.000 -1.449) 1.562 27.599 ( -0.459 -0.000 0.317) 0.558 27.628 ( 1.259 0.000 -1.822) 2.215 30.513 ( 0.023 0.000 6.052) 6.052 30.644 ( 1.246 0.000 -7.282) 7.388 33.345 ( -1.928 -0.000 7.284) 7.535 33.479 ( 1.738 0.000 -4.720) 5.029 34.011 ( -1.710 -0.000 5.324) 5.592 34.106 ( 0.955 0.000 -2.623) 2.792 34.149 ( 5.421 0.000 10.152) 11.509 34.208 ( -3.572 -0.000 -5.458) 6.523 34.613 ( -0.626 -0.000 9.178) 9.199 34.771 ( -0.223 -0.000 -7.665) 7.668 35.679 ( 2.341 0.000 6.558) 6.963 35.774 ( 1.834 0.000 -5.256) 5.566 39.474 ( 3.860 0.000 22.228) 22.560 39.793 ( 0.155 0.000 -17.248) 17.248 46.260 ( -1.795 -0.000 1.075) 2.092 46.315 ( 1.612 0.000 -2.187) 2.716 ======================= Grid point 217 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -12.348 -18.388 2.617) 22.303 0.983 ( -7.854 -22.233 -8.506) 25.067 1.374 ( -2.630 -1.153 2.803) 4.012 1.550 ( -0.669 -2.753 -1.045) 3.019 1.813 ( 9.618 -4.174 -5.774) 11.970 1.903 ( 15.770 -8.053 -3.660) 18.081 2.124 ( -12.739 1.354 7.431) 14.810 2.273 ( -6.079 4.733 4.655) 9.002 2.402 ( 0.951 2.432 1.727) 3.130 2.539 ( -3.566 10.235 5.537) 12.171 2.652 ( 1.333 -4.201 -1.383) 4.620 2.734 ( 0.578 -0.489 -2.123) 2.254 2.797 ( 2.056 0.548 0.932) 2.323 2.812 ( 4.475 1.403 -2.937) 5.533 2.901 ( 6.517 -1.800 -1.069) 6.845 2.944 ( 0.287 -2.432 -2.191) 3.286 3.061 ( -3.631 1.725 -1.667) 4.352 3.136 ( 1.679 2.929 -0.591) 3.428 3.205 ( -4.610 -1.479 1.216) 4.992 3.258 ( -1.174 -1.241 -1.334) 2.167 3.349 ( -1.185 -2.479 -2.160) 3.495 3.412 ( -0.836 -1.083 2.499) 2.849 3.460 ( 1.241 1.289 -2.290) 2.906 3.541 ( 5.191 -2.026 -1.438) 5.755 3.581 ( -4.936 -3.179 -3.284) 6.728 3.615 ( -2.797 -2.993 -1.745) 4.453 3.713 ( 0.236 -1.381 0.867) 1.648 3.767 ( 2.119 -0.032 -1.240) 2.456 3.958 ( 1.293 2.393 3.818) 4.688 4.021 ( 0.488 1.502 -1.119) 1.935 4.123 ( 2.253 2.582 -2.970) 4.534 4.136 ( 1.545 -1.684 1.608) 2.794 4.235 ( -1.932 0.527 5.445) 5.801 4.344 ( -2.185 -2.898 5.463) 6.559 4.398 ( 3.681 2.746 0.351) 4.606 4.596 ( 1.297 -2.925 -3.188) 4.517 4.652 ( 1.945 1.533 -0.006) 2.477 4.662 ( 4.405 2.036 -1.471) 5.071 4.924 ( -0.561 0.124 5.003) 5.036 5.041 ( 2.640 -1.865 -3.777) 4.972 9.289 ( -4.476 0.243 -0.105) 4.484 9.330 ( -1.964 -2.005 0.209) 2.814 11.370 ( -32.614 9.503 9.565) 35.291 11.939 ( 6.289 4.786 -6.609) 10.302 12.419 ( 0.798 0.523 0.869) 1.290 12.456 ( 2.274 -0.901 -0.812) 2.577 12.787 ( -2.350 0.724 0.356) 2.485 12.825 ( -0.300 -0.287 -0.465) 0.624 14.632 ( -54.048 21.560 11.429) 59.301 15.222 ( -2.732 0.645 -0.686) 2.890 15.263 ( -0.127 -0.607 -0.491) 0.791 15.820 ( 1.168 16.455 -17.795) 24.265 17.077 ( -0.293 0.277 -0.950) 1.032 17.182 ( -0.911 -1.022 0.149) 1.378 17.210 ( 4.486 1.297 -1.305) 4.849 17.286 ( 7.525 1.143 0.837) 7.657 17.330 ( -1.941 -0.089 -0.605) 2.035 17.374 ( 0.846 0.581 -0.493) 1.138 17.620 ( -1.320 0.392 -1.632) 2.135 17.700 ( 4.219 -1.686 0.753) 4.606 20.290 ( -18.419 2.315 5.583) 19.385 20.598 ( 2.765 1.491 -1.651) 3.549 20.806 ( -10.537 3.547 9.070) 14.348 21.759 ( 13.876 22.233 -43.292) 50.607 27.092 ( -1.009 -0.697 -1.132) 1.669 27.139 ( 2.379 -2.411 0.838) 3.489 27.600 ( -0.590 -0.333 0.164) 0.697 27.634 ( 0.945 -0.197 -1.706) 1.960 30.528 ( -0.081 0.366 3.948) 3.966 30.631 ( 2.100 1.020 -4.993) 5.512 33.322 ( -1.806 1.947 7.121) 7.601 33.462 ( 1.584 2.215 -4.749) 5.474 33.983 ( -1.236 5.002 9.198) 10.543 34.036 ( -1.205 0.317 -2.108) 2.449 34.184 ( -2.795 -1.781 -3.801) 5.043 34.306 ( 4.778 -6.179 0.076) 7.811 34.700 ( -3.523 -5.531 2.053) 6.871 34.858 ( 5.702 -9.325 -0.550) 10.945 35.722 ( 4.125 -0.428 6.796) 7.962 35.801 ( 4.872 -1.396 -4.536) 6.801 39.636 ( -0.221 -10.546 21.718) 24.144 40.054 ( 10.534 -24.062 -19.605) 32.777 46.254 ( -2.278 -0.763 0.474) 2.449 46.324 ( 0.872 -0.473 -2.142) 2.361 ======================= Grid point 218 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -7.769 -21.905 3.155) 23.455 1.288 ( -3.192 -13.527 -0.523) 13.908 1.450 ( -8.693 0.857 -2.755) 9.160 1.590 ( -3.118 -13.017 -0.698) 13.403 1.931 ( 2.051 -0.802 -5.973) 6.366 2.006 ( -5.811 0.475 10.377) 11.902 2.122 ( -1.372 -0.001 -3.210) 3.491 2.234 ( 6.703 -8.223 -0.018) 10.608 2.333 ( -3.002 8.457 5.260) 10.402 2.459 ( 6.897 -4.634 2.234) 8.604 2.665 ( 0.045 5.401 -3.210) 6.283 2.702 ( 1.877 2.699 -2.655) 4.225 2.741 ( 3.052 3.949 -2.900) 5.772 2.820 ( -0.201 -0.367 1.772) 1.821 2.939 ( 0.897 -0.002 -6.159) 6.224 2.949 ( -2.004 1.869 -1.934) 3.354 3.079 ( 6.401 -5.465 -1.318) 8.519 3.179 ( 1.310 -2.846 1.513) 3.479 3.221 ( -1.869 0.143 2.746) 3.325 3.308 ( -1.607 -3.223 -2.186) 4.213 3.383 ( -1.269 -1.521 -0.774) 2.127 3.390 ( -2.678 0.818 -0.243) 2.811 3.467 ( 1.715 -0.845 0.406) 1.955 3.520 ( 0.409 3.998 2.361) 4.661 3.571 ( 2.942 5.338 -3.771) 7.167 3.665 ( -1.119 -4.149 -1.812) 4.664 3.688 ( -4.466 -1.340 -4.220) 6.289 3.768 ( 2.369 -0.134 3.355) 4.109 3.978 ( 1.802 0.820 1.092) 2.261 4.038 ( 2.791 -2.176 0.717) 3.611 4.129 ( -0.148 -1.835 -1.476) 2.359 4.189 ( 0.369 -1.523 1.925) 2.482 4.235 ( -1.088 -1.359 4.312) 4.650 4.357 ( 0.511 0.266 2.287) 2.358 4.383 ( 1.173 0.663 1.129) 1.757 4.553 ( 4.450 4.883 -1.230) 6.720 4.658 ( 1.137 -1.262 3.474) 3.867 4.733 ( 2.140 -3.657 -0.880) 4.327 4.973 ( 2.702 -2.424 2.164) 4.226 5.066 ( 4.674 1.223 -4.151) 6.370 9.239 ( -6.009 0.833 0.312) 6.074 9.364 ( -2.236 -2.857 0.626) 3.681 10.731 ( -58.347 18.993 1.738) 61.385 11.857 ( 4.941 6.646 -3.614) 9.036 12.413 ( 0.573 0.706 0.380) 0.986 12.500 ( 3.835 -1.285 -0.264) 4.053 12.744 ( -3.660 1.446 0.089) 3.937 12.829 ( -0.222 -0.329 -0.215) 0.452 13.858 ( -37.696 16.377 1.125) 41.116 15.129 ( -5.821 6.813 -5.887) 10.722 15.282 ( -0.561 -1.595 -0.678) 1.822 15.500 ( -1.726 10.782 -3.115) 11.355 17.092 ( 1.234 -1.248 -0.455) 1.813 17.181 ( -1.018 0.066 -1.174) 1.556 17.223 ( 3.183 0.225 -0.678) 3.262 17.302 ( 5.391 1.465 1.177) 5.709 17.336 ( -0.155 -0.471 0.141) 0.516 17.374 ( 1.883 0.449 -0.008) 1.936 17.595 ( -2.256 0.488 -1.115) 2.564 17.763 ( 3.511 -1.530 0.287) 3.841 20.094 ( -16.902 3.798 1.965) 17.435 20.582 ( 1.801 1.818 -0.457) 2.600 20.685 ( -3.956 3.318 1.351) 5.338 21.290 ( 2.018 24.225 -18.977) 30.839 27.093 ( -1.635 -0.578 -0.871) 1.941 27.192 ( 1.326 -1.252 0.337) 1.854 27.603 ( -0.548 -0.490 0.482) 0.879 27.643 ( 0.512 -0.377 -1.437) 1.571 30.489 ( -1.071 3.096 0.589) 3.329 30.630 ( 3.024 0.900 -1.113) 3.346 33.284 ( -1.226 1.780 6.277) 6.638 33.406 ( 1.089 3.420 -4.001) 5.375 33.886 ( -2.801 4.178 8.441) 9.826 34.011 ( 0.001 2.212 -6.007) 6.402 34.223 ( -2.315 -4.205 -1.850) 5.144 34.462 ( 4.507 -6.543 0.635) 7.970 34.794 ( -4.671 -7.557 1.497) 9.009 35.091 ( 5.640 -8.100 -3.150) 10.361 35.761 ( 2.824 0.186 1.876) 3.396 35.895 ( 8.179 -3.224 0.469) 8.804 39.946 ( -3.921 -17.501 25.118) 30.864 40.628 ( 18.252 -24.076 -28.357) 41.436 46.257 ( -2.277 -1.239 0.080) 2.594 46.339 ( 0.126 -0.924 -1.803) 2.030 ======================= Grid point 219 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -14.624 5.961 1.932) 15.910 1.440 ( 0.474 -8.295 -11.577) 14.250 1.530 ( -1.880 -12.907 6.153) 14.422 1.867 ( -3.668 -10.680 -3.629) 11.861 1.914 ( -2.028 0.251 -1.283) 2.413 1.936 ( -3.749 -3.545 6.254) 8.108 2.171 ( -4.282 0.948 -3.611) 5.681 2.191 ( -1.061 3.759 5.058) 6.391 2.425 ( 4.285 -3.860 -1.127) 5.877 2.493 ( 1.593 3.105 -3.675) 5.068 2.574 ( 0.474 1.909 -2.590) 3.252 2.681 ( 1.312 -1.170 3.317) 3.754 2.736 ( 3.763 -0.659 -2.145) 4.381 2.844 ( 2.528 -2.935 1.674) 4.220 2.938 ( 0.611 -1.111 -2.022) 2.387 2.986 ( 5.595 -0.475 -1.861) 5.916 3.126 ( -0.637 1.145 -0.656) 1.465 3.199 ( 0.689 0.389 3.208) 3.304 3.240 ( 0.625 2.305 -1.579) 2.863 3.264 ( 1.782 1.764 -3.376) 4.205 3.355 ( 0.469 0.416 -1.881) 1.982 3.373 ( -1.081 4.171 -0.873) 4.397 3.470 ( 2.690 -0.591 1.590) 3.180 3.519 ( 1.879 -0.341 1.120) 2.214 3.549 ( 0.669 -1.547 -1.214) 2.077 3.650 ( -5.134 -0.058 -0.520) 5.160 3.708 ( -1.136 0.763 1.565) 2.079 3.806 ( -0.772 -3.642 1.971) 4.212 3.991 ( 0.918 -0.309 0.326) 1.022 4.063 ( 2.350 1.110 -2.711) 3.755 4.172 ( -1.057 -2.495 -2.089) 3.421 4.204 ( -0.314 0.605 0.147) 0.698 4.266 ( 1.780 -0.473 5.645) 5.937 4.376 ( -1.298 -1.098 0.048) 1.701 4.380 ( 0.101 -1.566 2.364) 2.838 4.559 ( 3.124 -1.108 3.948) 5.155 4.710 ( 3.539 -1.504 4.232) 5.718 4.800 ( 1.166 -2.133 -0.782) 2.553 5.009 ( 4.669 2.839 -6.362) 8.386 5.071 ( 1.353 -0.764 0.071) 1.556 9.181 ( -4.845 0.056 0.172) 4.849 9.404 ( -2.022 -2.729 0.659) 3.459 10.034 ( -43.051 8.012 -0.396) 43.792 11.754 ( 2.225 5.943 -2.257) 6.736 12.404 ( 0.598 0.616 0.129) 0.868 12.558 ( 4.704 -1.295 0.024) 4.879 12.680 ( -4.553 1.756 -0.121) 4.881 12.833 ( -0.314 -0.293 -0.116) 0.445 13.491 ( -13.689 3.942 0.033) 14.245 14.872 ( -9.575 9.513 -6.606) 15.027 15.310 ( -0.759 -1.836 -0.712) 2.111 15.386 ( -1.926 1.786 3.109) 4.070 17.129 ( 0.537 -1.516 0.366) 1.649 17.174 ( -0.729 -0.474 -1.813) 2.011 17.243 ( 1.587 -0.260 0.209) 1.621 17.321 ( 4.151 0.714 -0.211) 4.218 17.335 ( -0.869 -0.157 -0.263) 0.921 17.378 ( 2.744 1.267 1.265) 3.276 17.568 ( -1.554 0.356 -0.652) 1.722 17.809 ( 1.918 -1.003 0.204) 2.174 19.930 ( -8.947 2.958 1.846) 9.603 20.552 ( -0.623 1.538 0.636) 1.777 20.630 ( -0.429 1.265 -0.378) 1.388 20.848 ( -3.113 17.010 -7.969) 19.041 27.088 ( -1.177 -0.257 -0.446) 1.285 27.208 ( 0.017 -0.005 0.126) 0.127 27.612 ( -0.326 -0.581 0.742) 0.998 27.649 ( 0.147 -0.167 -1.185) 1.206 30.424 ( -0.140 2.792 0.444) 2.831 30.626 ( 1.882 1.248 -0.483) 2.309 33.261 ( -0.551 0.916 4.463) 4.589 33.343 ( 0.479 2.928 -2.132) 3.653 33.817 ( -2.051 2.227 5.298) 6.102 33.935 ( 0.248 3.870 -6.293) 7.392 34.286 ( -1.381 -3.711 -1.126) 4.117 34.614 ( 1.782 -5.740 1.637) 6.230 34.912 ( -1.840 -6.209 2.633) 6.991 35.228 ( 2.649 -3.971 -4.462) 6.535 35.768 ( 1.476 0.850 0.131) 1.708 36.018 ( 6.207 -2.914 1.426) 7.004 40.287 ( -5.218 -14.819 28.673) 32.695 41.060 ( 15.699 -12.224 -33.159) 38.670 46.269 ( -1.512 -1.392 0.366) 2.088 46.353 ( -0.294 -0.852 -1.796) 2.009 ======================= Grid point 226 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -13.224 -0.000 -1.727) 13.336 0.565 ( -9.527 -0.000 5.936) 11.225 1.435 ( -0.336 -0.000 -5.714) 5.724 1.466 ( 4.084 0.000 7.090) 8.182 1.842 ( 11.275 0.000 -9.200) 14.552 1.959 ( 17.569 0.000 -3.487) 17.911 2.055 ( -15.320 -0.000 9.815) 18.194 2.249 ( -6.718 -0.000 6.571) 9.398 2.425 ( -4.884 -0.000 -4.191) 6.436 2.604 ( 2.531 0.000 4.597) 5.247 2.674 ( -5.206 -0.000 4.247) 6.719 2.744 ( 2.793 0.000 -2.744) 3.915 2.779 ( 1.937 0.000 1.083) 2.219 2.803 ( 2.905 0.000 2.180) 3.632 2.895 ( 4.104 0.000 -4.001) 5.732 3.005 ( 5.541 0.000 1.144) 5.658 3.060 ( -5.147 -0.000 0.569) 5.178 3.158 ( 0.949 0.000 -1.071) 1.431 3.204 ( -5.168 -0.000 -4.075) 6.581 3.233 ( -2.812 -0.000 -6.550) 7.128 3.267 ( -2.141 -0.000 -4.438) 4.927 3.370 ( -0.502 -0.000 0.050) 0.505 3.454 ( -3.170 -0.000 -5.272) 6.152 3.530 ( -5.158 -0.000 -3.486) 6.225 3.534 ( 0.933 0.000 1.047) 1.402 3.577 ( 3.380 0.000 1.082) 3.549 3.717 ( 6.492 0.000 3.102) 7.195 3.756 ( 2.502 0.000 2.249) 3.364 3.973 ( -1.499 -0.000 -3.922) 4.199 4.045 ( 1.066 0.000 0.554) 1.201 4.144 ( -2.482 -0.000 1.412) 2.856 4.210 ( -1.735 -0.000 -0.951) 1.979 4.245 ( 0.874 0.000 6.558) 6.616 4.295 ( 4.425 0.000 5.084) 6.740 4.461 ( 4.910 0.000 -1.363) 5.096 4.532 ( -0.003 -0.000 -3.059) 3.059 4.681 ( 3.674 0.000 0.008) 3.674 4.752 ( 5.439 0.000 0.103) 5.440 4.978 ( 2.070 0.000 2.644) 3.358 4.986 ( 1.398 0.000 -0.557) 1.504 9.266 ( -4.473 -0.000 -0.102) 4.474 9.275 ( -4.320 -0.000 -0.081) 4.321 11.234 ( -41.701 -0.000 14.977) 44.309 12.008 ( 3.633 0.000 -9.413) 10.090 12.446 ( 2.517 0.000 1.539) 2.950 12.455 ( 2.082 0.000 -1.392) 2.504 12.780 ( -2.439 -0.000 0.592) 2.510 12.812 ( -1.413 -0.000 -0.612) 1.540 14.470 ( -56.884 -0.000 14.095) 58.604 15.206 ( -3.157 -0.000 -0.954) 3.298 15.251 ( -1.637 -0.000 -0.269) 1.659 15.873 ( -17.566 -0.000 -29.371) 34.223 17.079 ( 0.173 0.000 -1.278) 1.290 17.158 ( -0.529 -0.000 0.631) 0.823 17.246 ( 2.987 0.000 -1.324) 3.267 17.305 ( -1.978 -0.000 -0.744) 2.113 17.373 ( 7.184 0.000 0.022) 7.184 17.380 ( -0.498 -0.000 -0.745) 0.896 17.638 ( 3.200 0.000 -2.355) 3.973 17.712 ( 4.081 0.000 1.413) 4.319 20.175 ( -21.353 -0.000 7.476) 22.624 20.628 ( 2.167 0.000 -2.102) 3.019 20.786 ( -8.411 -0.000 9.142) 12.423 21.909 ( -5.968 -0.000 -69.851) 70.105 27.091 ( 0.939 0.000 -1.455) 1.731 27.124 ( 2.196 0.000 1.462) 2.638 27.593 ( -0.429 -0.000 0.057) 0.433 27.634 ( 0.530 0.000 -2.525) 2.580 30.544 ( 1.037 0.000 5.935) 6.024 30.645 ( 2.216 0.000 -6.343) 6.719 33.341 ( -1.980 -0.000 6.861) 7.141 33.489 ( 1.858 0.000 -5.094) 5.423 34.008 ( -0.818 -0.000 3.680) 3.770 34.077 ( -3.682 -0.000 -4.338) 5.690 34.159 ( 0.434 0.000 -4.292) 4.314 34.235 ( 1.758 0.000 3.936) 4.310 34.678 ( 4.189 0.000 12.265) 12.960 34.756 ( 1.246 0.000 -5.138) 5.287 35.783 ( 8.046 0.000 8.863) 11.970 35.818 ( 6.345 0.000 -5.341) 8.294 39.650 ( 8.958 0.000 21.233) 23.046 39.763 ( 4.142 0.000 -17.439) 17.924 46.230 ( -2.388 -0.000 0.543) 2.450 46.316 ( -0.432 -0.000 -3.298) 3.326 ======================= Grid point 227 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -5.532 -19.779 9.773) 22.744 0.846 ( -6.326 -22.265 1.263) 23.180 1.413 ( 4.987 -0.985 -2.071) 5.489 1.523 ( -2.156 1.285 4.701) 5.329 1.918 ( -0.525 -3.119 0.976) 3.310 1.949 ( -3.987 2.184 -1.718) 4.860 2.118 ( 10.343 -5.020 -6.166) 13.046 2.192 ( -5.442 2.762 6.894) 9.207 2.415 ( 2.558 -2.764 -1.401) 4.018 2.527 ( -2.405 9.085 7.463) 12.001 2.658 ( -1.462 -2.172 3.618) 4.466 2.699 ( -1.822 1.609 -4.847) 5.423 2.844 ( 3.922 -0.385 -1.037) 4.075 2.890 ( -1.139 -4.467 -1.009) 4.719 2.921 ( 5.565 4.760 -1.382) 7.453 2.946 ( -7.368 3.362 -7.973) 11.365 3.015 ( 5.550 -3.339 -2.714) 7.023 3.141 ( -2.808 -1.086 2.400) 3.850 3.198 ( 2.118 -1.979 -1.638) 3.329 3.246 ( 0.818 -0.837 2.420) 2.688 3.293 ( -3.097 -4.660 -4.303) 7.058 3.398 ( -3.318 0.371 3.361) 4.738 3.450 ( 1.666 -3.018 -6.720) 7.552 3.492 ( -3.778 -2.698 -2.939) 5.495 3.563 ( -0.319 -1.503 -3.502) 3.824 3.630 ( 4.601 -1.442 1.079) 4.941 3.754 ( 3.537 3.188 2.910) 5.580 3.804 ( 3.267 0.173 -0.672) 3.340 3.979 ( -1.050 -3.636 -2.279) 4.418 3.997 ( -1.918 3.201 2.687) 4.599 4.138 ( -0.253 -2.283 1.321) 2.649 4.155 ( 0.279 2.364 -0.632) 2.463 4.247 ( 1.077 1.399 3.715) 4.113 4.368 ( 2.452 -0.962 3.483) 4.366 4.462 ( 3.815 3.142 1.891) 5.292 4.575 ( -2.419 -3.310 -3.916) 5.670 4.694 ( 3.616 -0.125 -0.023) 3.618 4.745 ( 6.374 5.564 0.124) 8.461 4.946 ( 1.424 -1.396 4.020) 4.488 5.113 ( 9.221 -2.795 -0.035) 9.636 9.212 ( -5.444 0.861 0.116) 5.513 9.279 ( -4.641 -2.855 0.336) 5.459 10.657 ( -67.609 19.941 9.812) 71.168 11.967 ( -0.036 3.493 -9.245) 9.883 12.444 ( 2.204 1.299 0.337) 2.581 12.499 ( 3.648 -1.598 -0.109) 3.985 12.745 ( -3.431 1.338 0.395) 3.704 12.809 ( -1.578 -0.867 -0.399) 1.844 13.883 ( -42.952 15.921 3.511) 45.942 15.145 ( -8.893 2.726 -6.219) 11.189 15.247 ( -1.600 -1.020 -0.888) 2.095 15.550 ( -26.434 6.039 -19.118) 33.177 17.086 ( 1.393 -0.413 -0.818) 1.668 17.162 ( -1.301 -0.397 -0.481) 1.443 17.257 ( 2.391 0.780 -0.382) 2.544 17.303 ( -0.720 -1.100 -1.038) 1.675 17.359 ( -0.105 0.854 -0.454) 0.973 17.423 ( 4.945 0.160 0.326) 4.958 17.630 ( 4.178 2.864 -1.030) 5.169 17.762 ( 3.641 -1.326 0.442) 3.900 20.011 ( -18.720 1.306 3.201) 19.036 20.626 ( 1.713 1.398 -1.282) 2.556 20.713 ( -5.133 2.744 3.079) 6.585 21.547 ( -20.478 11.786 -49.551) 54.896 27.086 ( 0.789 0.555 -0.997) 1.387 27.171 ( 1.439 -1.929 0.647) 2.492 27.592 ( -0.409 -0.285 0.115) 0.512 27.636 ( 0.167 -0.363 -2.142) 2.179 30.544 ( 0.726 2.114 2.860) 3.629 30.654 ( 2.554 -0.081 -3.010) 3.949 33.320 ( -1.757 1.650 6.744) 7.162 33.468 ( 1.507 2.465 -5.000) 5.775 33.972 ( -3.709 5.371 5.925) 8.816 34.018 ( 0.074 -0.318 -2.073) 2.099 34.149 ( -0.153 -1.516 -3.056) 3.415 34.345 ( 0.056 -7.037 -1.144) 7.129 34.684 ( 0.775 -1.288 3.062) 3.411 34.945 ( 5.394 -10.721 -1.321) 12.073 35.822 ( 6.720 2.000 1.540) 7.179 35.914 ( 10.243 -2.323 1.758) 10.649 39.707 ( 0.378 -7.193 17.163) 18.613 40.207 ( 18.255 -27.994 -19.904) 38.898 46.219 ( -2.415 -0.677 0.084) 2.510 46.311 ( -1.558 -0.948 -3.098) 3.595 ======================= Grid point 228 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -3.311 -21.465 -0.452) 21.724 1.208 ( -7.710 -15.587 7.172) 18.810 1.289 ( -8.882 5.868 -2.239) 10.878 1.617 ( 4.424 -7.114 -0.428) 8.389 1.857 ( -6.750 -0.299 0.930) 6.820 2.034 ( 4.107 -0.514 2.304) 4.737 2.135 ( 0.966 0.483 -0.163) 1.093 2.200 ( -5.764 -3.842 -1.609) 7.112 2.366 ( 1.428 5.127 5.156) 7.410 2.556 ( 6.518 -5.024 -2.469) 8.592 2.643 ( -1.489 4.190 3.729) 5.804 2.689 ( -4.035 -2.182 -5.012) 6.794 2.783 ( 1.792 5.784 -2.503) 6.552 2.840 ( 3.752 2.180 1.174) 4.496 2.904 ( 0.989 -2.070 -4.671) 5.204 2.964 ( 3.248 -3.274 -2.203) 5.111 3.127 ( -0.630 -2.113 -0.525) 2.267 3.195 ( 1.983 -4.529 -2.262) 5.438 3.245 ( 0.094 1.994 3.399) 3.941 3.281 ( 0.556 -3.850 1.184) 4.067 3.323 ( -3.362 -1.338 -3.334) 4.921 3.381 ( -0.058 0.272 0.748) 0.798 3.507 ( 0.671 -1.390 -2.516) 2.952 3.525 ( 1.226 -1.428 -3.509) 3.982 3.592 ( -0.473 -2.666 -3.303) 4.271 3.630 ( 5.355 6.928 -1.410) 8.869 3.678 ( 1.078 0.998 -0.531) 1.562 3.817 ( 2.485 1.439 3.622) 4.622 3.951 ( -4.537 -0.366 1.680) 4.852 4.073 ( 0.241 -4.733 -1.233) 4.896 4.144 ( 2.230 0.016 -0.894) 2.403 4.196 ( -0.024 -1.348 3.161) 3.436 4.250 ( 0.611 -1.359 2.562) 2.964 4.350 ( -2.366 0.687 -0.999) 2.659 4.433 ( 4.611 4.201 4.976) 7.980 4.568 ( -1.304 0.155 -1.608) 2.076 4.727 ( 5.290 0.123 2.775) 5.975 4.755 ( 1.151 -2.791 0.600) 3.078 5.012 ( 0.313 -2.684 1.776) 3.234 5.176 ( 10.060 5.320 -1.850) 11.529 9.146 ( -6.643 0.875 0.431) 6.714 9.310 ( -4.767 -3.961 1.190) 6.311 9.833 ( -48.985 7.428 -0.880) 49.553 11.853 ( -4.789 4.837 -6.198) 9.206 12.434 ( 2.130 1.365 0.242) 2.541 12.563 ( 4.466 -1.707 0.038) 4.781 12.683 ( -4.254 1.917 0.073) 4.667 12.814 ( -1.643 -0.861 -0.255) 1.872 13.462 ( -15.798 4.738 -0.270) 16.495 14.869 ( -30.222 6.519 -12.275) 33.265 15.261 ( -1.912 -1.900 -0.633) 2.768 15.355 ( -10.348 -0.795 0.798) 10.409 17.109 ( 0.778 -1.008 -0.223) 1.293 17.152 ( -1.536 -0.295 -1.684) 2.299 17.259 ( 1.541 0.439 0.458) 1.666 17.323 ( 0.499 -0.781 -0.521) 1.063 17.344 ( -0.174 0.423 -1.007) 1.106 17.439 ( 2.480 1.250 0.526) 2.826 17.608 ( 5.481 2.683 -0.007) 6.102 17.806 ( 2.114 -0.817 0.180) 2.274 19.892 ( -9.900 0.004 1.204) 9.973 20.585 ( -2.059 2.758 0.041) 3.442 20.650 ( -0.909 1.335 -0.496) 1.690 21.064 ( -20.732 13.755 -20.381) 32.162 27.082 ( 0.651 0.190 -0.644) 0.935 27.201 ( -0.325 -0.593 0.231) 0.714 27.599 ( -0.232 -0.606 0.468) 0.800 27.641 ( -0.061 -0.420 -1.613) 1.668 30.495 ( 1.544 3.542 1.225) 4.053 30.660 ( 1.275 0.964 -1.043) 1.908 33.289 ( -1.065 1.486 5.858) 6.136 33.408 ( 0.984 3.548 -3.831) 5.313 33.866 ( -3.556 3.760 8.026) 9.550 33.993 ( 0.646 2.648 -6.256) 6.824 34.203 ( 0.395 -3.934 -1.371) 4.185 34.476 ( -2.749 -7.470 -1.367) 8.076 34.787 ( 2.228 -6.743 5.370) 8.904 35.141 ( 3.213 -6.563 -5.642) 9.232 35.827 ( 5.419 2.342 0.770) 5.953 36.026 ( 7.677 -1.591 0.870) 7.888 39.987 ( -3.010 -16.551 26.401) 31.305 40.814 ( 20.293 -21.284 -35.594) 46.171 46.225 ( -1.822 -1.648 0.089) 2.459 46.318 ( -1.864 -1.543 -2.420) 3.422 ======================= Grid point 236 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 3.186 0.000 23.370) 23.586 0.546 ( 2.694 0.000 15.835) 16.063 1.444 ( 5.349 0.000 -7.687) 9.365 1.565 ( 4.291 0.000 4.359) 6.117 1.840 ( -13.714 -0.000 13.036) 18.921 1.983 ( 8.160 0.000 -11.498) 14.099 2.102 ( -3.085 -0.000 1.083) 3.270 2.239 ( 7.311 0.000 2.019) 7.584 2.379 ( 1.396 0.000 -2.094) 2.517 2.609 ( -6.662 -0.000 4.982) 8.319 2.629 ( -3.063 -0.000 4.186) 5.187 2.754 ( 1.199 0.000 -6.619) 6.727 2.798 ( 0.211 0.000 -0.303) 0.369 2.829 ( 0.536 0.000 -3.090) 3.136 2.903 ( -10.276 -0.000 -1.740) 10.422 2.944 ( 3.336 0.000 -4.128) 5.308 3.064 ( 1.118 0.000 1.430) 1.815 3.147 ( -1.906 -0.000 -7.012) 7.267 3.150 ( -1.114 -0.000 -7.057) 7.145 3.191 ( 0.663 0.000 -3.513) 3.575 3.275 ( 4.665 0.000 1.185) 4.813 3.354 ( -1.925 -0.000 0.386) 1.964 3.429 ( 1.714 0.000 -0.456) 1.774 3.484 ( 2.742 0.000 -1.312) 3.039 3.520 ( -1.931 -0.000 -2.207) 2.932 3.625 ( 1.105 0.000 4.138) 4.283 3.804 ( 3.086 0.000 1.660) 3.504 3.839 ( 7.164 0.000 2.221) 7.501 3.940 ( -0.643 -0.000 -5.585) 5.622 4.044 ( -3.520 -0.000 1.590) 3.862 4.108 ( -0.235 -0.000 0.920) 0.950 4.175 ( -2.271 -0.000 1.404) 2.670 4.294 ( 2.467 0.000 4.399) 5.044 4.368 ( 2.441 0.000 1.943) 3.120 4.482 ( -5.348 -0.000 -3.310) 6.290 4.524 ( 3.434 0.000 -1.565) 3.774 4.763 ( 5.679 0.000 -0.350) 5.690 4.826 ( 3.912 0.000 0.271) 3.921 5.061 ( 9.019 0.000 2.847) 9.458 5.076 ( 11.346 0.000 5.064) 12.425 9.193 ( -4.875 -0.000 -0.066) 4.876 9.201 ( -5.047 -0.000 0.002) 5.047 10.381 ( -78.258 -0.000 17.761) 80.248 11.938 ( -10.387 -0.000 -18.531) 21.244 12.490 ( 3.202 0.000 -1.299) 3.455 12.500 ( 3.826 0.000 1.553) 4.130 12.737 ( -3.525 -0.000 0.667) 3.588 12.780 ( -2.518 -0.000 -0.595) 2.587 13.757 ( -37.760 -0.000 4.542) 38.032 15.012 ( -39.036 -0.000 -31.570) 50.204 15.221 ( -1.883 -0.000 -0.622) 1.983 15.317 ( -24.024 -0.000 -16.358) 29.064 17.092 ( 1.656 0.000 -0.816) 1.846 17.152 ( -0.618 -0.000 0.269) 0.674 17.274 ( -1.083 -0.000 -0.818) 1.357 17.293 ( 3.659 0.000 -0.844) 3.755 17.361 ( -1.455 -0.000 -0.862) 1.691 17.437 ( 1.431 0.000 0.121) 1.437 17.714 ( 6.826 0.000 -1.299) 6.948 17.773 ( 3.332 0.000 1.024) 3.486 19.890 ( -17.387 -0.000 3.409) 17.718 20.651 ( 1.762 0.000 -1.785) 2.508 20.718 ( -4.203 -0.000 4.183) 5.930 21.256 ( -44.719 -0.000 -66.517) 80.152 27.110 ( 2.109 0.000 -1.031) 2.347 27.158 ( 1.456 0.000 1.100) 1.825 27.588 ( -0.223 -0.000 -0.051) 0.229 27.626 ( -0.428 -0.000 -2.325) 2.364 30.581 ( 0.969 0.000 5.435) 5.520 30.664 ( 2.907 0.000 -5.000) 5.784 33.335 ( -2.053 -0.000 6.770) 7.074 33.496 ( 1.581 0.000 -5.871) 6.080 34.005 ( -2.800 -0.000 -4.504) 5.304 34.010 ( -0.396 -0.000 2.056) 2.094 34.165 ( 1.342 0.000 -1.987) 2.398 34.235 ( -2.079 -0.000 0.534) 2.146 34.768 ( 2.084 0.000 -2.615) 3.344 34.794 ( 5.103 0.000 7.075) 8.724 35.917 ( 8.791 0.000 -4.810) 10.020 35.973 ( 11.855 0.000 7.931) 14.263 39.794 ( 8.004 0.000 -16.220) 18.088 39.870 ( 9.863 0.000 14.647) 17.658 46.196 ( -2.225 -0.000 0.044) 2.225 46.273 ( -3.571 -0.000 -3.876) 5.270 ======================= Grid point 237 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 5.416 -12.535 14.089) 19.620 0.849 ( 3.629 -18.434 15.062) 24.080 1.399 ( -4.228 8.343 -0.363) 9.361 1.588 ( 6.841 -1.257 -7.715) 10.387 1.795 ( -9.192 -1.279 15.680) 18.221 1.993 ( 1.896 -1.275 -3.344) 4.050 2.108 ( -2.711 -2.143 -4.408) 5.601 2.217 ( 1.644 4.385 1.199) 4.834 2.490 ( -4.365 4.566 4.795) 7.931 2.503 ( 7.316 -4.474 -2.391) 8.903 2.604 ( -6.074 -0.871 -4.388) 7.544 2.665 ( -0.837 2.274 1.303) 2.751 2.817 ( -5.839 -0.511 -2.642) 6.429 2.855 ( 0.042 -2.646 -4.562) 5.274 2.899 ( 3.352 -2.252 -2.337) 4.665 3.003 ( 5.016 3.824 -2.475) 6.776 3.045 ( -0.875 -6.579 -1.169) 6.740 3.098 ( -2.646 -0.303 2.087) 3.384 3.199 ( 0.723 -1.061 -5.372) 5.523 3.243 ( -1.431 -6.284 -5.928) 8.756 3.311 ( 4.574 -0.352 0.847) 4.665 3.375 ( -0.453 -0.883 2.202) 2.415 3.430 ( -1.300 -0.159 -1.391) 1.911 3.512 ( 5.283 -0.702 -0.985) 5.420 3.569 ( 2.733 -4.158 -5.116) 7.137 3.692 ( 3.823 -2.352 3.744) 5.845 3.812 ( 2.267 6.050 0.577) 6.486 3.858 ( 2.670 0.679 -0.863) 2.887 3.916 ( -2.375 -0.428 -2.164) 3.242 3.990 ( -1.635 -0.581 1.292) 2.164 4.150 ( 0.791 -2.475 3.123) 4.063 4.156 ( 0.507 0.108 1.066) 1.185 4.266 ( -0.113 1.808 2.571) 3.146 4.383 ( -2.741 2.681 -0.685) 3.895 4.511 ( -0.870 -4.266 -0.929) 4.452 4.520 ( 0.057 0.238 -0.031) 0.246 4.748 ( 4.265 2.560 -1.575) 5.218 4.852 ( 6.088 3.506 1.544) 7.193 4.995 ( 4.417 3.150 4.504) 7.051 5.331 ( 15.936 -1.410 4.555) 16.634 9.125 ( -7.340 2.506 0.829) 7.800 9.203 ( -5.274 -2.915 0.718) 6.069 9.598 ( -60.820 10.607 3.860) 61.859 11.776 ( -25.315 -1.709 -19.232) 31.838 12.487 ( 3.384 1.755 -0.003) 3.812 12.561 ( 4.311 -1.885 0.309) 4.715 12.688 ( -4.275 1.730 0.382) 4.628 12.775 ( -2.727 -1.288 -0.479) 3.054 13.440 ( -17.450 5.817 -0.675) 18.407 14.531 ( -64.028 -3.397 -29.607) 70.624 15.213 ( -2.156 -1.069 -0.728) 2.514 15.249 ( -5.571 -2.447 0.116) 6.086 17.103 ( 1.079 -0.124 -0.673) 1.278 17.141 ( -1.144 0.460 -0.529) 1.342 17.273 ( 0.408 -0.137 -0.123) 0.448 17.321 ( 2.813 -0.247 -0.034) 2.824 17.342 ( -1.275 0.262 -0.972) 1.624 17.450 ( -0.470 -0.375 -0.493) 0.777 17.723 ( 6.832 3.140 0.005) 7.519 17.810 ( 2.405 -0.672 0.238) 2.509 19.797 ( -9.661 -1.754 0.776) 9.850 20.614 ( -8.775 3.606 -4.770) 10.619 20.663 ( -0.553 0.682 -1.627) 1.849 20.888 ( -36.429 -4.293 -30.989) 48.019 27.107 ( 2.302 1.214 -0.516) 2.653 27.184 ( -0.025 -0.974 0.439) 1.069 27.589 ( -0.119 -0.329 0.186) 0.396 27.625 ( -0.496 -0.641 -1.867) 2.035 30.572 ( 1.381 2.385 3.326) 4.320 30.678 ( 1.846 0.198 -2.841) 3.394 33.318 ( -1.701 1.277 6.612) 6.945 33.470 ( 1.219 2.508 -5.574) 6.232 33.934 ( -3.511 4.293 5.244) 7.633 34.016 ( 0.784 -0.009 -3.384) 3.474 34.153 ( 1.628 -1.117 -1.503) 2.481 34.308 ( -3.648 -6.360 -1.470) 7.478 34.736 ( 3.622 -1.131 4.607) 5.968 34.997 ( 2.721 -9.517 -4.520) 10.882 35.935 ( 7.685 3.254 -0.051) 8.346 36.076 ( 8.723 -0.156 1.107) 8.795 39.775 ( 0.282 -5.834 17.186) 18.152 40.401 ( 16.593 -29.134 -28.534) 44.027 46.186 ( -1.865 -0.801 -0.143) 2.035 46.257 ( -3.822 -1.911 -2.894) 5.161 ======================= Grid point 246 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 10.072 0.000 20.730) 23.047 0.736 ( 13.920 0.000 27.263) 30.611 1.520 ( 5.751 0.000 -8.204) 10.019 1.568 ( -3.601 -0.000 -12.215) 12.735 1.732 ( -8.155 -0.000 30.674) 31.739 2.007 ( -9.251 -0.000 6.608) 11.368 2.069 ( 8.954 0.000 -13.000) 15.785 2.304 ( -2.140 -0.000 -2.225) 3.088 2.451 ( 7.143 0.000 1.416) 7.282 2.478 ( -3.439 -0.000 -5.726) 6.680 2.592 ( -4.353 -0.000 -0.507) 4.383 2.751 ( 2.848 0.000 -7.869) 8.369 2.752 ( -6.578 -0.000 -0.598) 6.605 2.773 ( -3.919 -0.000 -1.418) 4.167 2.872 ( 2.176 0.000 0.063) 2.177 2.960 ( 1.304 0.000 -4.437) 4.625 3.064 ( -1.823 -0.000 4.096) 4.484 3.086 ( -3.284 -0.000 -4.946) 5.937 3.100 ( -0.994 -0.000 -9.440) 9.493 3.187 ( 1.334 0.000 -5.886) 6.035 3.351 ( 2.276 0.000 -0.970) 2.474 3.396 ( 7.921 0.000 3.642) 8.718 3.456 ( -5.959 -0.000 -0.856) 6.020 3.457 ( 2.618 0.000 -1.295) 2.921 3.605 ( 10.359 0.000 3.045) 10.797 3.645 ( -0.300 -0.000 6.895) 6.901 3.863 ( 4.382 0.000 0.300) 4.392 3.909 ( -0.853 -0.000 -5.333) 5.401 3.932 ( 4.233 0.000 -0.914) 4.330 3.965 ( -5.971 -0.000 -0.583) 5.999 4.144 ( 3.078 0.000 3.599) 4.735 4.159 ( -0.265 -0.000 1.268) 1.296 4.342 ( -0.950 -0.000 -0.712) 1.187 4.365 ( -4.815 -0.000 1.438) 5.025 4.383 ( -0.767 -0.000 0.081) 0.771 4.533 ( -1.656 -0.000 -2.740) 3.202 4.825 ( 3.364 0.000 -0.831) 3.465 4.865 ( 1.103 0.000 0.360) 1.160 5.307 ( 23.223 0.000 2.139) 23.322 5.357 ( 18.068 0.000 10.935) 21.119 9.130 ( -3.062 -0.000 -0.032) 3.062 9.134 ( -3.765 -0.000 0.127) 3.767 9.262 ( -61.308 -0.000 11.188) 62.320 11.239 ( -84.709 -0.000 -44.148) 95.523 12.541 ( 4.038 0.000 -1.078) 4.179 12.568 ( 4.390 0.000 1.346) 4.592 12.676 ( -4.933 -0.000 0.598) 4.969 12.733 ( -3.323 -0.000 -0.792) 3.416 13.392 ( -13.089 -0.000 -1.208) 13.145 13.832 ( -67.261 -0.000 -26.553) 72.313 15.190 ( -2.715 -0.000 0.670) 2.797 15.195 ( -1.050 -0.000 -0.745) 1.288 17.115 ( 1.506 0.000 -0.497) 1.586 17.141 ( -0.908 -0.000 0.157) 0.921 17.270 ( 0.704 0.000 -0.072) 0.708 17.331 ( -1.561 -0.000 -1.017) 1.863 17.348 ( 3.301 0.000 -0.065) 3.301 17.435 ( -1.471 -0.000 -0.242) 1.491 17.803 ( 4.857 0.000 -0.833) 4.927 17.816 ( 1.814 0.000 0.867) 2.010 19.712 ( -6.369 -0.000 0.404) 6.382 20.313 ( -48.069 -0.000 -29.126) 56.204 20.671 ( 1.676 0.000 -1.569) 2.295 20.681 ( -2.582 -0.000 2.625) 3.682 27.142 ( 2.294 0.000 -0.540) 2.357 27.173 ( 0.054 0.000 0.689) 0.691 27.586 ( 0.009 0.000 0.015) 0.017 27.608 ( -0.914 -0.000 -1.240) 1.540 30.608 ( 0.035 0.000 4.879) 4.879 30.691 ( 2.738 0.000 -4.285) 5.085 33.329 ( -1.954 -0.000 6.995) 7.263 33.493 ( 1.086 0.000 -6.636) 6.724 33.972 ( 0.019 0.000 -2.460) 2.461 34.002 ( -1.582 -0.000 0.615) 1.697 34.179 ( 1.183 0.000 -1.166) 1.661 34.200 ( -2.242 -0.000 0.468) 2.290 34.796 ( 2.320 0.000 -0.514) 2.377 34.859 ( 1.392 0.000 0.898) 1.656 36.037 ( 8.486 0.000 -2.952) 8.985 36.136 ( 5.364 0.000 1.837) 5.670 39.884 ( 10.736 0.000 -13.226) 17.035 39.975 ( -3.191 -0.000 5.511) 6.369 46.168 ( -1.283 -0.000 -0.447) 1.358 46.193 ( -4.757 -0.000 -1.662) 5.039 =================== 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 3/34020 10.0 8.158 6.834 8.699 0.000 4.258 0.000 3/34020 20.0 2.271 2.114 2.820 0.000 0.939 0.000 3/34020 30.0 1.223 1.173 1.531 0.000 0.428 0.000 3/34020 40.0 0.842 0.813 1.048 0.000 0.256 0.000 3/34020 50.0 0.654 0.629 0.804 0.000 0.176 0.000 3/34020 60.0 0.542 0.517 0.658 0.000 0.133 0.000 3/34020 70.0 0.468 0.441 0.559 0.000 0.106 0.000 3/34020 80.0 0.415 0.385 0.486 0.000 0.088 0.000 3/34020 90.0 0.374 0.343 0.431 0.000 0.075 0.000 3/34020 100.0 0.342 0.309 0.388 0.000 0.066 0.000 3/34020 110.0 0.316 0.281 0.352 0.000 0.058 0.000 3/34020 120.0 0.294 0.258 0.323 0.000 0.052 0.000 3/34020 130.0 0.275 0.238 0.298 0.000 0.048 0.000 3/34020 140.0 0.259 0.222 0.277 0.000 0.043 0.000 3/34020 150.0 0.245 0.207 0.258 0.000 0.040 0.000 3/34020 160.0 0.232 0.194 0.243 0.000 0.037 0.000 3/34020 170.0 0.221 0.183 0.229 0.000 0.035 0.000 3/34020 180.0 0.211 0.173 0.216 0.000 0.032 0.000 3/34020 190.0 0.202 0.165 0.205 0.000 0.030 0.000 3/34020 200.0 0.194 0.157 0.195 0.000 0.029 0.000 3/34020 210.0 0.187 0.150 0.186 0.000 0.027 0.000 3/34020 220.0 0.180 0.143 0.178 0.000 0.026 0.000 3/34020 230.0 0.173 0.137 0.171 0.000 0.024 0.000 3/34020 240.0 0.167 0.132 0.164 0.000 0.023 0.000 3/34020 250.0 0.162 0.127 0.158 0.000 0.022 0.000 3/34020 260.0 0.157 0.122 0.152 0.000 0.021 0.000 3/34020 270.0 0.152 0.118 0.147 0.000 0.020 0.000 3/34020 280.0 0.147 0.114 0.142 0.000 0.019 0.000 3/34020 290.0 0.143 0.111 0.138 0.000 0.019 0.000 3/34020 300.0 0.139 0.107 0.134 0.000 0.018 0.000 3/34020 310.0 0.135 0.104 0.130 0.000 0.017 0.000 3/34020 320.0 0.132 0.101 0.127 0.000 0.017 0.000 3/34020 330.0 0.128 0.099 0.123 0.000 0.016 0.000 3/34020 340.0 0.125 0.096 0.120 0.000 0.015 0.000 3/34020 350.0 0.122 0.094 0.117 0.000 0.015 0.000 3/34020 360.0 0.119 0.091 0.114 0.000 0.014 0.000 3/34020 370.0 0.116 0.089 0.112 0.000 0.014 0.000 3/34020 380.0 0.114 0.087 0.109 0.000 0.013 0.000 3/34020 390.0 0.111 0.085 0.107 0.000 0.013 0.000 3/34020 400.0 0.109 0.083 0.105 0.000 0.013 0.000 3/34020 410.0 0.107 0.082 0.103 0.000 0.012 0.000 3/34020 420.0 0.104 0.080 0.100 0.000 0.012 0.000 3/34020 430.0 0.102 0.078 0.099 0.000 0.012 0.000 3/34020 440.0 0.100 0.077 0.097 0.000 0.011 0.000 3/34020 450.0 0.098 0.075 0.095 0.000 0.011 0.000 3/34020 460.0 0.097 0.074 0.093 0.000 0.011 0.000 3/34020 470.0 0.095 0.073 0.092 0.000 0.010 0.000 3/34020 480.0 0.093 0.071 0.090 0.000 0.010 0.000 3/34020 490.0 0.091 0.070 0.089 0.000 0.010 0.000 3/34020 500.0 0.090 0.069 0.087 0.000 0.010 0.000 3/34020 510.0 0.088 0.068 0.086 0.000 0.009 0.000 3/34020 520.0 0.087 0.067 0.084 0.000 0.009 0.000 3/34020 530.0 0.085 0.066 0.083 0.000 0.009 0.000 3/34020 540.0 0.084 0.064 0.082 0.000 0.009 0.000 3/34020 550.0 0.083 0.063 0.081 0.000 0.008 0.000 3/34020 560.0 0.081 0.062 0.079 0.000 0.008 0.000 3/34020 570.0 0.080 0.062 0.078 0.000 0.008 0.000 3/34020 580.0 0.079 0.061 0.077 0.000 0.008 0.000 3/34020 590.0 0.078 0.060 0.076 0.000 0.008 0.000 3/34020 600.0 0.076 0.059 0.075 0.000 0.008 0.000 3/34020 610.0 0.075 0.058 0.074 0.000 0.007 0.000 3/34020 620.0 0.074 0.057 0.073 0.000 0.007 0.000 3/34020 630.0 0.073 0.056 0.072 0.000 0.007 0.000 3/34020 640.0 0.072 0.056 0.071 0.000 0.007 0.000 3/34020 650.0 0.071 0.055 0.070 0.000 0.007 0.000 3/34020 660.0 0.070 0.054 0.069 0.000 0.007 0.000 3/34020 670.0 0.069 0.054 0.068 0.000 0.007 0.000 3/34020 680.0 0.068 0.053 0.068 0.000 0.006 0.000 3/34020 690.0 0.067 0.052 0.067 0.000 0.006 0.000 3/34020 700.0 0.066 0.052 0.066 0.000 0.006 0.000 3/34020 710.0 0.066 0.051 0.065 0.000 0.006 0.000 3/34020 720.0 0.065 0.050 0.064 0.000 0.006 0.000 3/34020 730.0 0.064 0.050 0.064 0.000 0.006 0.000 3/34020 740.0 0.063 0.049 0.063 0.000 0.006 0.000 3/34020 750.0 0.062 0.048 0.062 0.000 0.006 0.000 3/34020 760.0 0.062 0.048 0.061 0.000 0.006 0.000 3/34020 770.0 0.061 0.047 0.061 0.000 0.006 0.000 3/34020 780.0 0.060 0.047 0.060 0.000 0.005 0.000 3/34020 790.0 0.059 0.046 0.059 0.000 0.005 0.000 3/34020 800.0 0.059 0.046 0.059 0.000 0.005 0.000 3/34020 810.0 0.058 0.045 0.058 0.000 0.005 0.000 3/34020 820.0 0.057 0.045 0.058 0.000 0.005 0.000 3/34020 830.0 0.057 0.044 0.057 0.000 0.005 0.000 3/34020 840.0 0.056 0.044 0.056 0.000 0.005 0.000 3/34020 850.0 0.056 0.043 0.056 0.000 0.005 0.000 3/34020 860.0 0.055 0.043 0.055 0.000 0.005 0.000 3/34020 870.0 0.054 0.042 0.055 0.000 0.005 0.000 3/34020 880.0 0.054 0.042 0.054 0.000 0.005 0.000 3/34020 890.0 0.053 0.042 0.054 0.000 0.005 0.000 3/34020 900.0 0.053 0.041 0.053 0.000 0.005 0.000 3/34020 910.0 0.052 0.041 0.053 0.000 0.005 0.000 3/34020 920.0 0.052 0.040 0.052 0.000 0.004 0.000 3/34020 930.0 0.051 0.040 0.052 0.000 0.004 0.000 3/34020 940.0 0.051 0.040 0.051 0.000 0.004 0.000 3/34020 950.0 0.050 0.039 0.051 0.000 0.004 0.000 3/34020 960.0 0.050 0.039 0.050 0.000 0.004 0.000 3/34020 970.0 0.049 0.038 0.050 0.000 0.004 0.000 3/34020 980.0 0.049 0.038 0.049 0.000 0.004 0.000 3/34020 990.0 0.048 0.038 0.049 0.000 0.004 0.000 3/34020 1000.0 0.048 0.037 0.048 0.000 0.004 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:46:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|