----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:57:04]------------------------- 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: [3 1 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: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.504286000043851 -5.148201899999999 0.000000000000000 b 2.504286000043851 5.148201899999999 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): *1 Fe 0.07497357636197 0.92502642363803 0.25000000000000 55.845 2 Fe 0.92502642363803 0.07497357636197 0.75000000000000 55.845 *3 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 4 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 *5 P 0.66298932629429 0.45504364793204 0.52384757543249 30.974 6 P 0.45504364793204 0.66298932629429 0.02384757543249 30.974 *7 P 0.94379991815953 0.13106010166471 0.55051394960282 30.974 8 P 0.86893989833529 0.05620008184047 0.94948605039718 30.974 9 P 0.33701067370571 0.54495635206796 0.47615242456751 30.974 *10 P 0.77586739099391 0.62996128632615 0.71608978399649 30.974 11 P 0.62996128632615 0.77586739099390 0.21608978399649 30.974 12 P 0.13106010166471 0.94379991815953 0.05051394960282 30.974 *13 P 0.93264244750123 0.47231855762473 0.20629903395541 30.974 14 P 0.22413260900609 0.37003871367385 0.28391021600351 30.974 15 P 0.54495635206796 0.33701067370571 0.97615242456751 30.974 16 P 0.37003871367385 0.22413260900610 0.78391021600351 30.974 17 P 0.47231855762473 0.93264244750123 0.70629903395542 30.974 18 P 0.05620008184047 0.86893989833529 0.44948605039718 30.974 19 P 0.52768144237527 0.06735755249877 0.29370096604459 30.974 20 P 0.06735755249877 0.52768144237527 0.79370096604458 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.008572000087701 0.000000000000000 0.000000000000000 b 0.000000000000000 10.296403799999998 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): *1 Fe 0.50000000000000 0.42502642363803 0.25000000000000 55.845 > 1 2 Fe 0.00000000000000 0.07497357636197 0.75000000000000 55.845 > 2 *3 Fe 0.75000000000000 0.25000000000000 0.50000000000000 55.845 > 3 4 Fe 0.25000000000000 0.25000000000000 0.00000000000000 55.845 > 4 5 Fe 0.00000000000000 0.92502642363803 0.25000000000000 55.845 > 1 6 Fe 0.50000000000000 0.57497357636197 0.75000000000000 55.845 > 2 7 Fe 0.25000000000000 0.75000000000000 0.50000000000000 55.845 > 3 8 Fe 0.75000000000000 0.75000000000000 0.00000000000000 55.845 > 4 *9 P 0.05901648711316 0.39602716081887 0.52384757543249 30.974 > 5 10 P 0.55901648711316 0.10397283918113 0.02384757543249 30.974 > 6 *11 P 0.03743000991212 0.09363009175259 0.55051394960282 30.974 > 7 12 P 0.96256999008788 0.09363009175259 0.94948605039718 30.974 > 8 13 P 0.44098351288684 0.10397283918113 0.47615242456751 30.974 > 9 *14 P 0.20291433866003 0.42704694766612 0.71608978399649 30.974 > 10 15 P 0.70291433866003 0.07295305233388 0.21608978399649 30.974 > 11 16 P 0.53743000991212 0.40636990824741 0.05051394960282 30.974 > 12 *17 P 0.20248050256298 0.26983805506175 0.20629903395541 30.974 > 13 18 P 0.29708566133997 0.07295305233388 0.28391021600351 30.974 > 14 19 P 0.94098351288684 0.39602716081887 0.97615242456751 30.974 > 15 20 P 0.79708566133997 0.42704694766612 0.78391021600351 30.974 > 16 21 P 0.70248050256298 0.23016194493825 0.70629903395542 30.974 > 17 22 P 0.46256999008788 0.40636990824741 0.44948605039718 30.974 > 18 23 P 0.79751949743702 0.26983805506175 0.29370096604459 30.974 > 19 24 P 0.29751949743702 0.23016194493825 0.79370096604458 30.974 > 20 25 P 0.55901648711316 0.89602716081887 0.52384757543249 30.974 > 5 26 P 0.05901648711316 0.60397283918113 0.02384757543249 30.974 > 6 27 P 0.53743000991212 0.59363009175259 0.55051394960282 30.974 > 7 28 P 0.46256999008788 0.59363009175259 0.94948605039718 30.974 > 8 29 P 0.94098351288684 0.60397283918113 0.47615242456751 30.974 > 9 30 P 0.70291433866003 0.92704694766612 0.71608978399649 30.974 > 10 31 P 0.20291433866003 0.57295305233388 0.21608978399649 30.974 > 11 32 P 0.03743000991212 0.90636990824741 0.05051394960282 30.974 > 12 33 P 0.70248050256298 0.76983805506175 0.20629903395541 30.974 > 13 34 P 0.79708566133997 0.57295305233388 0.28391021600351 30.974 > 14 35 P 0.44098351288684 0.89602716081887 0.97615242456751 30.974 > 15 36 P 0.29708566133997 0.92704694766612 0.78391021600351 30.974 > 16 37 P 0.20248050256298 0.73016194493825 0.70629903395542 30.974 > 17 38 P 0.96256999008788 0.90636990824741 0.44948605039718 30.974 > 18 39 P 0.29751949743702 0.76983805506175 0.29370096604459 30.974 > 19 40 P 0.79751949743702 0.73016194493825 0.79370096604458 30.974 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.025716000263104 0.000000000000000 0.000000000000000 b 0.000000000000000 10.296403799999998 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): *1 Fe 0.16666666666667 0.42502642363803 0.25000000000000 55.845 > 1 2 Fe 0.50000000000000 0.42502642363803 0.25000000000000 55.845 > 1 3 Fe 0.83333333333333 0.42502642363803 0.25000000000000 55.845 > 1 4 Fe 0.00000000000000 0.07497357636197 0.75000000000000 55.845 > 2 5 Fe 0.33333333333333 0.07497357636197 0.75000000000000 55.845 > 2 6 Fe 0.66666666666667 0.07497357636197 0.75000000000000 55.845 > 2 *7 Fe 0.25000000000000 0.25000000000000 0.50000000000000 55.845 > 3 8 Fe 0.58333333333333 0.25000000000000 0.50000000000000 55.845 > 3 9 Fe 0.91666666666667 0.25000000000000 0.50000000000000 55.845 > 3 10 Fe 0.08333333333333 0.25000000000000 0.00000000000000 55.845 > 4 11 Fe 0.41666666666667 0.25000000000000 0.00000000000000 55.845 > 4 12 Fe 0.75000000000000 0.25000000000000 0.00000000000000 55.845 > 4 13 Fe 0.00000000000000 0.92502642363803 0.25000000000000 55.845 > 1 14 Fe 0.33333333333333 0.92502642363803 0.25000000000000 55.845 > 1 15 Fe 0.66666666666667 0.92502642363803 0.25000000000000 55.845 > 1 16 Fe 0.16666666666667 0.57497357636197 0.75000000000000 55.845 > 2 17 Fe 0.50000000000000 0.57497357636197 0.75000000000000 55.845 > 2 18 Fe 0.83333333333333 0.57497357636197 0.75000000000000 55.845 > 2 19 Fe 0.08333333333333 0.75000000000000 0.50000000000000 55.845 > 3 20 Fe 0.41666666666667 0.75000000000000 0.50000000000000 55.845 > 3 21 Fe 0.75000000000000 0.75000000000000 0.50000000000000 55.845 > 3 22 Fe 0.25000000000000 0.75000000000000 0.00000000000000 55.845 > 4 23 Fe 0.58333333333333 0.75000000000000 0.00000000000000 55.845 > 4 24 Fe 0.91666666666667 0.75000000000000 0.00000000000000 55.845 > 4 *25 P 0.01967216237105 0.39602716081887 0.52384757543249 30.974 > 5 26 P 0.35300549570439 0.39602716081887 0.52384757543249 30.974 > 5 27 P 0.68633882903772 0.39602716081887 0.52384757543249 30.974 > 5 28 P 0.18633882903772 0.10397283918113 0.02384757543249 30.974 > 6 29 P 0.51967216237105 0.10397283918113 0.02384757543249 30.974 > 6 30 P 0.85300549570439 0.10397283918113 0.02384757543249 30.974 > 6 *31 P 0.01247666997071 0.09363009175259 0.55051394960282 30.974 > 7 32 P 0.34581000330404 0.09363009175259 0.55051394960282 30.974 > 7 33 P 0.67914333663737 0.09363009175259 0.55051394960282 30.974 > 7 34 P 0.32085666336263 0.09363009175259 0.94948605039718 30.974 > 8 35 P 0.65418999669596 0.09363009175259 0.94948605039718 30.974 > 8 36 P 0.98752333002929 0.09363009175259 0.94948605039718 30.974 > 8 37 P 0.14699450429561 0.10397283918113 0.47615242456751 30.974 > 9 38 P 0.48032783762895 0.10397283918113 0.47615242456751 30.974 > 9 39 P 0.81366117096228 0.10397283918113 0.47615242456751 30.974 > 9 *40 P 0.06763811288668 0.42704694766612 0.71608978399649 30.974 > 10 41 P 0.40097144622001 0.42704694766612 0.71608978399649 30.974 > 10 42 P 0.73430477955334 0.42704694766612 0.71608978399649 30.974 > 10 43 P 0.23430477955334 0.07295305233388 0.21608978399649 30.974 > 11 44 P 0.56763811288668 0.07295305233388 0.21608978399649 30.974 > 11 45 P 0.90097144622001 0.07295305233388 0.21608978399649 30.974 > 11 46 P 0.17914333663737 0.40636990824741 0.05051394960282 30.974 > 12 47 P 0.51247666997071 0.40636990824741 0.05051394960282 30.974 > 12 48 P 0.84581000330404 0.40636990824741 0.05051394960282 30.974 > 12 *49 P 0.06749350085433 0.26983805506175 0.20629903395541 30.974 > 13 50 P 0.40082683418766 0.26983805506175 0.20629903395541 30.974 > 13 51 P 0.73416016752099 0.26983805506175 0.20629903395541 30.974 > 13 52 P 0.09902855377999 0.07295305233388 0.28391021600351 30.974 > 14 53 P 0.43236188711332 0.07295305233388 0.28391021600351 30.974 > 14 54 P 0.76569522044666 0.07295305233388 0.28391021600351 30.974 > 14 55 P 0.31366117096228 0.39602716081887 0.97615242456751 30.974 > 15 56 P 0.64699450429561 0.39602716081887 0.97615242456751 30.974 > 15 57 P 0.98032783762895 0.39602716081887 0.97615242456751 30.974 > 15 58 P 0.26569522044666 0.42704694766612 0.78391021600351 30.974 > 16 59 P 0.59902855377999 0.42704694766612 0.78391021600351 30.974 > 16 60 P 0.93236188711332 0.42704694766612 0.78391021600351 30.974 > 16 61 P 0.23416016752099 0.23016194493825 0.70629903395542 30.974 > 17 62 P 0.56749350085433 0.23016194493825 0.70629903395542 30.974 > 17 63 P 0.90082683418766 0.23016194493825 0.70629903395542 30.974 > 17 64 P 0.15418999669596 0.40636990824741 0.44948605039718 30.974 > 18 65 P 0.48752333002929 0.40636990824741 0.44948605039718 30.974 > 18 66 P 0.82085666336263 0.40636990824741 0.44948605039718 30.974 > 18 67 P 0.26583983247901 0.26983805506175 0.29370096604459 30.974 > 19 68 P 0.59917316581234 0.26983805506175 0.29370096604459 30.974 > 19 69 P 0.93250649914567 0.26983805506175 0.29370096604459 30.974 > 19 70 P 0.09917316581234 0.23016194493825 0.79370096604458 30.974 > 20 71 P 0.43250649914567 0.23016194493825 0.79370096604458 30.974 > 20 72 P 0.76583983247901 0.23016194493825 0.79370096604458 30.974 > 20 73 P 0.18633882903772 0.89602716081887 0.52384757543249 30.974 > 5 74 P 0.51967216237105 0.89602716081887 0.52384757543249 30.974 > 5 75 P 0.85300549570439 0.89602716081887 0.52384757543249 30.974 > 5 76 P 0.01967216237105 0.60397283918113 0.02384757543249 30.974 > 6 77 P 0.35300549570439 0.60397283918113 0.02384757543249 30.974 > 6 78 P 0.68633882903772 0.60397283918113 0.02384757543249 30.974 > 6 79 P 0.17914333663737 0.59363009175259 0.55051394960282 30.974 > 7 80 P 0.51247666997071 0.59363009175259 0.55051394960282 30.974 > 7 81 P 0.84581000330404 0.59363009175259 0.55051394960282 30.974 > 7 82 P 0.15418999669596 0.59363009175259 0.94948605039718 30.974 > 8 83 P 0.48752333002929 0.59363009175259 0.94948605039718 30.974 > 8 84 P 0.82085666336263 0.59363009175259 0.94948605039718 30.974 > 8 85 P 0.31366117096228 0.60397283918113 0.47615242456751 30.974 > 9 86 P 0.64699450429561 0.60397283918113 0.47615242456751 30.974 > 9 87 P 0.98032783762895 0.60397283918113 0.47615242456751 30.974 > 9 88 P 0.23430477955334 0.92704694766612 0.71608978399649 30.974 > 10 89 P 0.56763811288668 0.92704694766612 0.71608978399649 30.974 > 10 90 P 0.90097144622001 0.92704694766612 0.71608978399649 30.974 > 10 91 P 0.06763811288668 0.57295305233388 0.21608978399649 30.974 > 11 92 P 0.40097144622001 0.57295305233388 0.21608978399649 30.974 > 11 93 P 0.73430477955334 0.57295305233388 0.21608978399649 30.974 > 11 94 P 0.01247666997071 0.90636990824741 0.05051394960282 30.974 > 12 95 P 0.34581000330404 0.90636990824741 0.05051394960282 30.974 > 12 96 P 0.67914333663737 0.90636990824741 0.05051394960282 30.974 > 12 97 P 0.23416016752099 0.76983805506175 0.20629903395541 30.974 > 13 98 P 0.56749350085433 0.76983805506175 0.20629903395541 30.974 > 13 99 P 0.90082683418766 0.76983805506175 0.20629903395541 30.974 > 13 100 P 0.26569522044666 0.57295305233388 0.28391021600351 30.974 > 14 101 P 0.59902855377999 0.57295305233388 0.28391021600351 30.974 > 14 102 P 0.93236188711332 0.57295305233388 0.28391021600351 30.974 > 14 103 P 0.14699450429561 0.89602716081887 0.97615242456751 30.974 > 15 104 P 0.48032783762895 0.89602716081887 0.97615242456751 30.974 > 15 105 P 0.81366117096228 0.89602716081887 0.97615242456751 30.974 > 15 106 P 0.09902855377999 0.92704694766612 0.78391021600351 30.974 > 16 107 P 0.43236188711332 0.92704694766612 0.78391021600351 30.974 > 16 108 P 0.76569522044666 0.92704694766612 0.78391021600351 30.974 > 16 109 P 0.06749350085433 0.73016194493825 0.70629903395542 30.974 > 17 110 P 0.40082683418766 0.73016194493825 0.70629903395542 30.974 > 17 111 P 0.73416016752099 0.73016194493825 0.70629903395542 30.974 > 17 112 P 0.32085666336263 0.90636990824741 0.44948605039718 30.974 > 18 113 P 0.65418999669596 0.90636990824741 0.44948605039718 30.974 > 18 114 P 0.98752333002929 0.90636990824741 0.44948605039718 30.974 > 18 115 P 0.09917316581234 0.76983805506175 0.29370096604459 30.974 > 19 116 P 0.43250649914567 0.76983805506175 0.29370096604459 30.974 > 19 117 P 0.76583983247901 0.76983805506175 0.29370096604459 30.974 > 19 118 P 0.26583983247901 0.73016194493825 0.79370096604458 30.974 > 20 119 P 0.59917316581234 0.73016194493825 0.79370096604458 30.974 > 20 120 P 0.93250649914567 0.73016194493825 0.79370096604458 30.974 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.9069825 0.0000000 0.1736472 0.0000000 18.2443167 0.0000000 0.1736446 0.0000000 21.3475762 -------------------------- Born effective charges -------------------------- 1 Fe -5.5686289 -0.0000000 0.1697754 0.0000000 -6.0404783 0.0000000 -0.1010286 -0.0000000 -4.8834144 2 Fe -5.5686289 -0.0000000 0.1697754 0.0000000 -6.0404783 0.0000000 -0.1010286 -0.0000000 -4.8834144 3 Fe -5.6066462 -0.5798872 -0.1498067 -0.6820877 -6.2680816 -1.2273577 0.3709026 -1.7058977 -4.5162964 4 Fe -5.6066462 0.5798872 -0.1498067 0.6820877 -6.2680816 1.2273577 0.3709026 1.7058977 -4.5162964 5 P 1.1896893 0.2543823 -0.1497517 0.4630936 1.4617549 0.1119828 0.1060490 0.2962024 1.0897137 6 P 1.1896893 -0.2543823 -0.1497517 -0.4630936 1.4617549 -0.1119828 0.1060490 -0.2962024 1.0897137 7 P 1.4709697 0.1116452 -0.0856937 -0.1166755 1.6790747 0.2394781 -0.1845867 -0.0643405 1.6904006 8 P 1.4709697 -0.1116452 -0.0856937 0.1166755 1.6790747 -0.2394781 -0.1845867 0.0643405 1.6904006 9 P 1.1896893 0.2543823 -0.1497517 0.4630936 1.4617549 0.1119828 0.1060490 0.2962024 1.0897137 10 P 1.2322960 0.5327056 0.1532703 0.5558876 0.9914906 0.0099527 0.0914391 0.2975821 0.6864336 11 P 1.2322960 -0.5327056 0.1532703 -0.5558876 0.9914906 -0.0099527 0.0914391 -0.2975821 0.6864336 12 P 1.4709697 -0.1116452 -0.0856937 0.1166755 1.6790747 -0.2394781 -0.1845867 0.0643405 1.6904006 13 P 1.6946826 -0.0154515 0.0721907 0.3493965 2.0219598 -0.1053212 -0.1478384 -0.4779509 1.2333075 14 P 1.2322960 0.5327056 0.1532703 0.5558876 0.9914906 0.0099527 0.0914391 0.2975821 0.6864336 15 P 1.1896893 -0.2543823 -0.1497517 -0.4630936 1.4617549 -0.1119828 0.1060490 -0.2962024 1.0897137 16 P 1.2322960 -0.5327056 0.1532703 -0.5558876 0.9914906 -0.0099527 0.0914391 -0.2975821 0.6864336 17 P 1.6946826 0.0154515 0.0721907 -0.3493965 2.0219598 0.1053212 -0.1478384 0.4779509 1.2333075 18 P 1.4709697 0.1116452 -0.0856937 -0.1166755 1.6790747 0.2394781 -0.1845867 -0.0643405 1.6904006 19 P 1.6946826 0.0154515 0.0721907 -0.3493965 2.0219598 0.1053212 -0.1478384 0.4779509 1.2333075 20 P 1.6946826 -0.0154515 0.0721907 0.3493965 2.0219598 -0.1053212 -0.1478384 -0.4779509 1.2333075 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 14622/14622 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2830 Number of blocks in projector: 2830 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: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 604 / 604 (1) 99 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 342 Use standard eigh solver. Tree of FC basis block matrices: - (2830, 2781), data: False |-- (342, 336), data: True |-- (342, 336), data: True |-- (342, 336), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 240), data: True |-- (250, 242), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 240), data: True |-- (250, 242), data: True |-- (604, 593), data: False |-- (604, 5), data: (604, 16) @ (16, 5) |-- (104, 99), data: True |-- (500, 489), data: False |-- (500, 7), data: (500, 18) @ (18, 7) |-- (250, 243), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 1.081 Solver_block: 200 / 640 - Time: 0.875 Solver_block: 300 / 640 - Time: 0.866 Solver_block: 400 / 640 - Time: 0.863 Solver_block: 500 / 640 - Time: 0.866 Solver_block: 600 / 640 - Time: 0.859 Solver_block: 640 / 640 - Time: 0.429 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.956 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 14622/14622 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2830 Number of blocks in projector: 2830 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: 604 Use submatrix version of eigh solver. (1) Block: 500 / 604 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 604 / 604 (1) 99 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 600 Use submatrix version of eigh solver. (1) Block: 500 / 600 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 600 / 600 (1) 90 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 342 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 342 Use standard eigh solver. Tree of FC basis block matrices: - (2830, 2781), data: False |-- (342, 336), data: True |-- (342, 336), data: True |-- (342, 336), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 240), data: True |-- (250, 242), data: True |-- (600, 590), data: False |-- (600, 10), data: (600, 20) @ (20, 10) |-- (100, 90), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 240), data: True |-- (250, 242), data: True |-- (604, 593), data: False |-- (604, 5), data: (604, 16) @ (16, 5) |-- (104, 99), data: True |-- (500, 489), data: False |-- (500, 7), data: (500, 18) @ (18, 7) |-- (250, 243), data: True |-- (250, 239), 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 18:57:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:57:39]------------------------- 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): [3 1 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 2.504286000043851 -5.148201899999999 0.000000000000000 b 2.504286000043851 5.148201899999999 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): 1 Fe 0.07497357636197 0.92502642363803 0.25000000000000 55.845 2 Fe 0.92502642363803 0.07497357636197 0.75000000000000 55.845 3 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 4 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 5 P 0.66298932629429 0.45504364793204 0.52384757543249 30.974 6 P 0.45504364793204 0.66298932629429 0.02384757543249 30.974 7 P 0.94379991815953 0.13106010166471 0.55051394960282 30.974 8 P 0.86893989833529 0.05620008184047 0.94948605039718 30.974 9 P 0.33701067370571 0.54495635206796 0.47615242456751 30.974 10 P 0.77586739099391 0.62996128632615 0.71608978399649 30.974 11 P 0.62996128632615 0.77586739099390 0.21608978399649 30.974 12 P 0.13106010166471 0.94379991815953 0.05051394960282 30.974 13 P 0.93264244750123 0.47231855762473 0.20629903395541 30.974 14 P 0.22413260900609 0.37003871367385 0.28391021600351 30.974 15 P 0.54495635206796 0.33701067370571 0.97615242456751 30.974 16 P 0.37003871367385 0.22413260900610 0.78391021600351 30.974 17 P 0.47231855762473 0.93264244750123 0.70629903395542 30.974 18 P 0.05620008184047 0.86893989833529 0.44948605039718 30.974 19 P 0.52768144237527 0.06735755249877 0.29370096604459 30.974 20 P 0.06735755249877 0.52768144237527 0.79370096604458 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.025716000263104 0.000000000000000 0.000000000000000 b 0.000000000000000 10.296403799999998 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): 1 Fe 0.16666666666667 0.42502642363803 0.25000000000000 55.845 > 1 2 Fe 0.50000000000000 0.42502642363803 0.25000000000000 55.845 > 1 3 Fe 0.83333333333333 0.42502642363803 0.25000000000000 55.845 > 1 4 Fe 0.00000000000000 0.07497357636197 0.75000000000000 55.845 > 4 5 Fe 0.33333333333333 0.07497357636197 0.75000000000000 55.845 > 4 6 Fe 0.66666666666667 0.07497357636197 0.75000000000000 55.845 > 4 7 Fe 0.25000000000000 0.25000000000000 0.50000000000000 55.845 > 7 8 Fe 0.58333333333333 0.25000000000000 0.50000000000000 55.845 > 7 9 Fe 0.91666666666667 0.25000000000000 0.50000000000000 55.845 > 7 10 Fe 0.08333333333333 0.25000000000000 0.00000000000000 55.845 > 10 11 Fe 0.41666666666667 0.25000000000000 0.00000000000000 55.845 > 10 12 Fe 0.75000000000000 0.25000000000000 0.00000000000000 55.845 > 10 13 Fe 0.00000000000000 0.92502642363803 0.25000000000000 55.845 > 1 14 Fe 0.33333333333333 0.92502642363803 0.25000000000000 55.845 > 1 15 Fe 0.66666666666667 0.92502642363803 0.25000000000000 55.845 > 1 16 Fe 0.16666666666667 0.57497357636197 0.75000000000000 55.845 > 4 17 Fe 0.50000000000000 0.57497357636197 0.75000000000000 55.845 > 4 18 Fe 0.83333333333333 0.57497357636197 0.75000000000000 55.845 > 4 19 Fe 0.08333333333333 0.75000000000000 0.50000000000000 55.845 > 7 20 Fe 0.41666666666667 0.75000000000000 0.50000000000000 55.845 > 7 21 Fe 0.75000000000000 0.75000000000000 0.50000000000000 55.845 > 7 22 Fe 0.25000000000000 0.75000000000000 0.00000000000000 55.845 > 10 23 Fe 0.58333333333333 0.75000000000000 0.00000000000000 55.845 > 10 24 Fe 0.91666666666667 0.75000000000000 0.00000000000000 55.845 > 10 25 P 0.01967216237105 0.39602716081887 0.52384757543249 30.974 > 25 26 P 0.35300549570439 0.39602716081887 0.52384757543249 30.974 > 25 27 P 0.68633882903772 0.39602716081887 0.52384757543249 30.974 > 25 28 P 0.18633882903772 0.10397283918113 0.02384757543249 30.974 > 28 29 P 0.51967216237105 0.10397283918113 0.02384757543249 30.974 > 28 30 P 0.85300549570439 0.10397283918113 0.02384757543249 30.974 > 28 31 P 0.01247666997071 0.09363009175259 0.55051394960282 30.974 > 31 32 P 0.34581000330404 0.09363009175259 0.55051394960282 30.974 > 31 33 P 0.67914333663737 0.09363009175259 0.55051394960282 30.974 > 31 34 P 0.32085666336263 0.09363009175259 0.94948605039718 30.974 > 34 35 P 0.65418999669596 0.09363009175259 0.94948605039718 30.974 > 34 36 P 0.98752333002929 0.09363009175259 0.94948605039718 30.974 > 34 37 P 0.14699450429561 0.10397283918113 0.47615242456751 30.974 > 37 38 P 0.48032783762895 0.10397283918113 0.47615242456751 30.974 > 37 39 P 0.81366117096228 0.10397283918113 0.47615242456751 30.974 > 37 40 P 0.06763811288668 0.42704694766612 0.71608978399649 30.974 > 40 41 P 0.40097144622001 0.42704694766612 0.71608978399649 30.974 > 40 42 P 0.73430477955334 0.42704694766612 0.71608978399649 30.974 > 40 43 P 0.23430477955334 0.07295305233388 0.21608978399649 30.974 > 43 44 P 0.56763811288668 0.07295305233388 0.21608978399649 30.974 > 43 45 P 0.90097144622001 0.07295305233388 0.21608978399649 30.974 > 43 46 P 0.17914333663737 0.40636990824741 0.05051394960282 30.974 > 46 47 P 0.51247666997071 0.40636990824741 0.05051394960282 30.974 > 46 48 P 0.84581000330404 0.40636990824741 0.05051394960282 30.974 > 46 49 P 0.06749350085433 0.26983805506175 0.20629903395541 30.974 > 49 50 P 0.40082683418766 0.26983805506175 0.20629903395541 30.974 > 49 51 P 0.73416016752099 0.26983805506175 0.20629903395541 30.974 > 49 52 P 0.09902855377999 0.07295305233388 0.28391021600351 30.974 > 52 53 P 0.43236188711332 0.07295305233388 0.28391021600351 30.974 > 52 54 P 0.76569522044666 0.07295305233388 0.28391021600351 30.974 > 52 55 P 0.31366117096228 0.39602716081887 0.97615242456751 30.974 > 55 56 P 0.64699450429561 0.39602716081887 0.97615242456751 30.974 > 55 57 P 0.98032783762895 0.39602716081887 0.97615242456751 30.974 > 55 58 P 0.26569522044666 0.42704694766612 0.78391021600351 30.974 > 58 59 P 0.59902855377999 0.42704694766612 0.78391021600351 30.974 > 58 60 P 0.93236188711332 0.42704694766612 0.78391021600351 30.974 > 58 61 P 0.23416016752099 0.23016194493825 0.70629903395542 30.974 > 61 62 P 0.56749350085433 0.23016194493825 0.70629903395542 30.974 > 61 63 P 0.90082683418766 0.23016194493825 0.70629903395542 30.974 > 61 64 P 0.15418999669596 0.40636990824741 0.44948605039718 30.974 > 64 65 P 0.48752333002929 0.40636990824741 0.44948605039718 30.974 > 64 66 P 0.82085666336263 0.40636990824741 0.44948605039718 30.974 > 64 67 P 0.26583983247901 0.26983805506175 0.29370096604459 30.974 > 67 68 P 0.59917316581234 0.26983805506175 0.29370096604459 30.974 > 67 69 P 0.93250649914567 0.26983805506175 0.29370096604459 30.974 > 67 70 P 0.09917316581234 0.23016194493825 0.79370096604458 30.974 > 70 71 P 0.43250649914567 0.23016194493825 0.79370096604458 30.974 > 70 72 P 0.76583983247901 0.23016194493825 0.79370096604458 30.974 > 70 73 P 0.18633882903772 0.89602716081887 0.52384757543249 30.974 > 25 74 P 0.51967216237105 0.89602716081887 0.52384757543249 30.974 > 25 75 P 0.85300549570439 0.89602716081887 0.52384757543249 30.974 > 25 76 P 0.01967216237105 0.60397283918113 0.02384757543249 30.974 > 28 77 P 0.35300549570439 0.60397283918113 0.02384757543249 30.974 > 28 78 P 0.68633882903772 0.60397283918113 0.02384757543249 30.974 > 28 79 P 0.17914333663737 0.59363009175259 0.55051394960282 30.974 > 31 80 P 0.51247666997071 0.59363009175259 0.55051394960282 30.974 > 31 81 P 0.84581000330404 0.59363009175259 0.55051394960282 30.974 > 31 82 P 0.15418999669596 0.59363009175259 0.94948605039718 30.974 > 34 83 P 0.48752333002929 0.59363009175259 0.94948605039718 30.974 > 34 84 P 0.82085666336263 0.59363009175259 0.94948605039718 30.974 > 34 85 P 0.31366117096228 0.60397283918113 0.47615242456751 30.974 > 37 86 P 0.64699450429561 0.60397283918113 0.47615242456751 30.974 > 37 87 P 0.98032783762895 0.60397283918113 0.47615242456751 30.974 > 37 88 P 0.23430477955334 0.92704694766612 0.71608978399649 30.974 > 40 89 P 0.56763811288668 0.92704694766612 0.71608978399649 30.974 > 40 90 P 0.90097144622001 0.92704694766612 0.71608978399649 30.974 > 40 91 P 0.06763811288668 0.57295305233388 0.21608978399649 30.974 > 43 92 P 0.40097144622001 0.57295305233388 0.21608978399649 30.974 > 43 93 P 0.73430477955334 0.57295305233388 0.21608978399649 30.974 > 43 94 P 0.01247666997071 0.90636990824741 0.05051394960282 30.974 > 46 95 P 0.34581000330404 0.90636990824741 0.05051394960282 30.974 > 46 96 P 0.67914333663737 0.90636990824741 0.05051394960282 30.974 > 46 97 P 0.23416016752099 0.76983805506175 0.20629903395541 30.974 > 49 98 P 0.56749350085433 0.76983805506175 0.20629903395541 30.974 > 49 99 P 0.90082683418766 0.76983805506175 0.20629903395541 30.974 > 49 100 P 0.26569522044666 0.57295305233388 0.28391021600351 30.974 > 52 101 P 0.59902855377999 0.57295305233388 0.28391021600351 30.974 > 52 102 P 0.93236188711332 0.57295305233388 0.28391021600351 30.974 > 52 103 P 0.14699450429561 0.89602716081887 0.97615242456751 30.974 > 55 104 P 0.48032783762895 0.89602716081887 0.97615242456751 30.974 > 55 105 P 0.81366117096228 0.89602716081887 0.97615242456751 30.974 > 55 106 P 0.09902855377999 0.92704694766612 0.78391021600351 30.974 > 58 107 P 0.43236188711332 0.92704694766612 0.78391021600351 30.974 > 58 108 P 0.76569522044666 0.92704694766612 0.78391021600351 30.974 > 58 109 P 0.06749350085433 0.73016194493825 0.70629903395542 30.974 > 61 110 P 0.40082683418766 0.73016194493825 0.70629903395542 30.974 > 61 111 P 0.73416016752099 0.73016194493825 0.70629903395542 30.974 > 61 112 P 0.32085666336263 0.90636990824741 0.44948605039718 30.974 > 64 113 P 0.65418999669596 0.90636990824741 0.44948605039718 30.974 > 64 114 P 0.98752333002929 0.90636990824741 0.44948605039718 30.974 > 64 115 P 0.09917316581234 0.76983805506175 0.29370096604459 30.974 > 67 116 P 0.43250649914567 0.76983805506175 0.29370096604459 30.974 > 67 117 P 0.76583983247901 0.76983805506175 0.29370096604459 30.974 > 67 118 P 0.26583983247901 0.73016194493825 0.79370096604458 30.974 > 70 119 P 0.59917316581234 0.73016194493825 0.79370096604458 30.974 > 70 120 P 0.93250649914567 0.73016194493825 0.79370096604458 30.974 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.9069825 0.0000000 0.1736472 0.0000000 18.2443167 0.0000000 0.1736446 0.0000000 21.3475762 -------------------------- Born effective charges -------------------------- 1 Fe -5.5686289 -0.0000000 0.1697754 0.0000000 -6.0404783 0.0000000 -0.1010286 -0.0000000 -4.8834144 2 Fe -5.5686289 -0.0000000 0.1697754 0.0000000 -6.0404783 0.0000000 -0.1010286 -0.0000000 -4.8834144 3 Fe -5.6066462 -0.5798872 -0.1498067 -0.6820877 -6.2680816 -1.2273577 0.3709026 -1.7058977 -4.5162964 4 Fe -5.6066462 0.5798872 -0.1498067 0.6820877 -6.2680816 1.2273577 0.3709026 1.7058977 -4.5162964 5 P 1.1896893 0.2543823 -0.1497517 0.4630936 1.4617549 0.1119828 0.1060490 0.2962024 1.0897137 6 P 1.1896893 -0.2543823 -0.1497517 -0.4630936 1.4617549 -0.1119828 0.1060490 -0.2962024 1.0897137 7 P 1.4709697 0.1116452 -0.0856937 -0.1166755 1.6790747 0.2394781 -0.1845867 -0.0643405 1.6904006 8 P 1.4709697 -0.1116452 -0.0856937 0.1166755 1.6790747 -0.2394781 -0.1845867 0.0643405 1.6904006 9 P 1.1896893 0.2543823 -0.1497517 0.4630936 1.4617549 0.1119828 0.1060490 0.2962024 1.0897137 10 P 1.2322960 0.5327056 0.1532703 0.5558876 0.9914906 0.0099527 0.0914391 0.2975821 0.6864336 11 P 1.2322960 -0.5327056 0.1532703 -0.5558876 0.9914906 -0.0099527 0.0914391 -0.2975821 0.6864336 12 P 1.4709697 -0.1116452 -0.0856937 0.1166755 1.6790747 -0.2394781 -0.1845867 0.0643405 1.6904006 13 P 1.6946826 -0.0154515 0.0721907 0.3493965 2.0219598 -0.1053212 -0.1478384 -0.4779509 1.2333075 14 P 1.2322960 0.5327056 0.1532703 0.5558876 0.9914906 0.0099527 0.0914391 0.2975821 0.6864336 15 P 1.1896893 -0.2543823 -0.1497517 -0.4630936 1.4617549 -0.1119828 0.1060490 -0.2962024 1.0897137 16 P 1.2322960 -0.5327056 0.1532703 -0.5558876 0.9914906 -0.0099527 0.0914391 -0.2975821 0.6864336 17 P 1.6946826 0.0154515 0.0721907 -0.3493965 2.0219598 0.1053212 -0.1478384 0.4779509 1.2333075 18 P 1.4709697 0.1116452 -0.0856937 -0.1166755 1.6790747 0.2394781 -0.1845867 -0.0643405 1.6904006 19 P 1.6946826 0.0154515 0.0721907 -0.3493965 2.0219598 0.1053212 -0.1478384 0.4779509 1.2333075 20 P 1.6946826 -0.0154515 0.0721907 0.3493965 2.0219598 -0.1053212 -0.1478384 -0.4779509 1.2333075 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 18:58:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:58:09]------------------------- 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): [3 1 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 2.504286000043851 -5.148201899999999 0.000000000000000 b 2.504286000043851 5.148201899999999 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): 1 Fe 0.07497357636197 0.92502642363803 0.25000000000000 55.845 2 Fe 0.92502642363803 0.07497357636197 0.75000000000000 55.845 3 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 4 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 5 P 0.66298932629429 0.45504364793204 0.52384757543249 30.974 6 P 0.45504364793204 0.66298932629429 0.02384757543249 30.974 7 P 0.94379991815953 0.13106010166471 0.55051394960282 30.974 8 P 0.86893989833529 0.05620008184047 0.94948605039718 30.974 9 P 0.33701067370571 0.54495635206796 0.47615242456751 30.974 10 P 0.77586739099391 0.62996128632615 0.71608978399649 30.974 11 P 0.62996128632615 0.77586739099390 0.21608978399649 30.974 12 P 0.13106010166471 0.94379991815953 0.05051394960282 30.974 13 P 0.93264244750123 0.47231855762473 0.20629903395541 30.974 14 P 0.22413260900609 0.37003871367385 0.28391021600351 30.974 15 P 0.54495635206796 0.33701067370571 0.97615242456751 30.974 16 P 0.37003871367385 0.22413260900610 0.78391021600351 30.974 17 P 0.47231855762473 0.93264244750123 0.70629903395542 30.974 18 P 0.05620008184047 0.86893989833529 0.44948605039718 30.974 19 P 0.52768144237527 0.06735755249877 0.29370096604459 30.974 20 P 0.06735755249877 0.52768144237527 0.79370096604458 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.025716000263104 0.000000000000000 0.000000000000000 b 0.000000000000000 10.296403799999998 0.000000000000000 c -0.176303699702175 0.000000000000000 10.971932763531754 Atomic positions (fractional): 1 Fe 0.16666666666667 0.42502642363803 0.25000000000000 55.845 > 1 2 Fe 0.50000000000000 0.42502642363803 0.25000000000000 55.845 > 1 3 Fe 0.83333333333333 0.42502642363803 0.25000000000000 55.845 > 1 4 Fe 0.00000000000000 0.07497357636197 0.75000000000000 55.845 > 4 5 Fe 0.33333333333333 0.07497357636197 0.75000000000000 55.845 > 4 6 Fe 0.66666666666667 0.07497357636197 0.75000000000000 55.845 > 4 7 Fe 0.25000000000000 0.25000000000000 0.50000000000000 55.845 > 7 8 Fe 0.58333333333333 0.25000000000000 0.50000000000000 55.845 > 7 9 Fe 0.91666666666667 0.25000000000000 0.50000000000000 55.845 > 7 10 Fe 0.08333333333333 0.25000000000000 0.00000000000000 55.845 > 10 11 Fe 0.41666666666667 0.25000000000000 0.00000000000000 55.845 > 10 12 Fe 0.75000000000000 0.25000000000000 0.00000000000000 55.845 > 10 13 Fe 0.00000000000000 0.92502642363803 0.25000000000000 55.845 > 1 14 Fe 0.33333333333333 0.92502642363803 0.25000000000000 55.845 > 1 15 Fe 0.66666666666667 0.92502642363803 0.25000000000000 55.845 > 1 16 Fe 0.16666666666667 0.57497357636197 0.75000000000000 55.845 > 4 17 Fe 0.50000000000000 0.57497357636197 0.75000000000000 55.845 > 4 18 Fe 0.83333333333333 0.57497357636197 0.75000000000000 55.845 > 4 19 Fe 0.08333333333333 0.75000000000000 0.50000000000000 55.845 > 7 20 Fe 0.41666666666667 0.75000000000000 0.50000000000000 55.845 > 7 21 Fe 0.75000000000000 0.75000000000000 0.50000000000000 55.845 > 7 22 Fe 0.25000000000000 0.75000000000000 0.00000000000000 55.845 > 10 23 Fe 0.58333333333333 0.75000000000000 0.00000000000000 55.845 > 10 24 Fe 0.91666666666667 0.75000000000000 0.00000000000000 55.845 > 10 25 P 0.01967216237105 0.39602716081887 0.52384757543249 30.974 > 25 26 P 0.35300549570439 0.39602716081887 0.52384757543249 30.974 > 25 27 P 0.68633882903772 0.39602716081887 0.52384757543249 30.974 > 25 28 P 0.18633882903772 0.10397283918113 0.02384757543249 30.974 > 28 29 P 0.51967216237105 0.10397283918113 0.02384757543249 30.974 > 28 30 P 0.85300549570439 0.10397283918113 0.02384757543249 30.974 > 28 31 P 0.01247666997071 0.09363009175259 0.55051394960282 30.974 > 31 32 P 0.34581000330404 0.09363009175259 0.55051394960282 30.974 > 31 33 P 0.67914333663737 0.09363009175259 0.55051394960282 30.974 > 31 34 P 0.32085666336263 0.09363009175259 0.94948605039718 30.974 > 34 35 P 0.65418999669596 0.09363009175259 0.94948605039718 30.974 > 34 36 P 0.98752333002929 0.09363009175259 0.94948605039718 30.974 > 34 37 P 0.14699450429561 0.10397283918113 0.47615242456751 30.974 > 37 38 P 0.48032783762895 0.10397283918113 0.47615242456751 30.974 > 37 39 P 0.81366117096228 0.10397283918113 0.47615242456751 30.974 > 37 40 P 0.06763811288668 0.42704694766612 0.71608978399649 30.974 > 40 41 P 0.40097144622001 0.42704694766612 0.71608978399649 30.974 > 40 42 P 0.73430477955334 0.42704694766612 0.71608978399649 30.974 > 40 43 P 0.23430477955334 0.07295305233388 0.21608978399649 30.974 > 43 44 P 0.56763811288668 0.07295305233388 0.21608978399649 30.974 > 43 45 P 0.90097144622001 0.07295305233388 0.21608978399649 30.974 > 43 46 P 0.17914333663737 0.40636990824741 0.05051394960282 30.974 > 46 47 P 0.51247666997071 0.40636990824741 0.05051394960282 30.974 > 46 48 P 0.84581000330404 0.40636990824741 0.05051394960282 30.974 > 46 49 P 0.06749350085433 0.26983805506175 0.20629903395541 30.974 > 49 50 P 0.40082683418766 0.26983805506175 0.20629903395541 30.974 > 49 51 P 0.73416016752099 0.26983805506175 0.20629903395541 30.974 > 49 52 P 0.09902855377999 0.07295305233388 0.28391021600351 30.974 > 52 53 P 0.43236188711332 0.07295305233388 0.28391021600351 30.974 > 52 54 P 0.76569522044666 0.07295305233388 0.28391021600351 30.974 > 52 55 P 0.31366117096228 0.39602716081887 0.97615242456751 30.974 > 55 56 P 0.64699450429561 0.39602716081887 0.97615242456751 30.974 > 55 57 P 0.98032783762895 0.39602716081887 0.97615242456751 30.974 > 55 58 P 0.26569522044666 0.42704694766612 0.78391021600351 30.974 > 58 59 P 0.59902855377999 0.42704694766612 0.78391021600351 30.974 > 58 60 P 0.93236188711332 0.42704694766612 0.78391021600351 30.974 > 58 61 P 0.23416016752099 0.23016194493825 0.70629903395542 30.974 > 61 62 P 0.56749350085433 0.23016194493825 0.70629903395542 30.974 > 61 63 P 0.90082683418766 0.23016194493825 0.70629903395542 30.974 > 61 64 P 0.15418999669596 0.40636990824741 0.44948605039718 30.974 > 64 65 P 0.48752333002929 0.40636990824741 0.44948605039718 30.974 > 64 66 P 0.82085666336263 0.40636990824741 0.44948605039718 30.974 > 64 67 P 0.26583983247901 0.26983805506175 0.29370096604459 30.974 > 67 68 P 0.59917316581234 0.26983805506175 0.29370096604459 30.974 > 67 69 P 0.93250649914567 0.26983805506175 0.29370096604459 30.974 > 67 70 P 0.09917316581234 0.23016194493825 0.79370096604458 30.974 > 70 71 P 0.43250649914567 0.23016194493825 0.79370096604458 30.974 > 70 72 P 0.76583983247901 0.23016194493825 0.79370096604458 30.974 > 70 73 P 0.18633882903772 0.89602716081887 0.52384757543249 30.974 > 25 74 P 0.51967216237105 0.89602716081887 0.52384757543249 30.974 > 25 75 P 0.85300549570439 0.89602716081887 0.52384757543249 30.974 > 25 76 P 0.01967216237105 0.60397283918113 0.02384757543249 30.974 > 28 77 P 0.35300549570439 0.60397283918113 0.02384757543249 30.974 > 28 78 P 0.68633882903772 0.60397283918113 0.02384757543249 30.974 > 28 79 P 0.17914333663737 0.59363009175259 0.55051394960282 30.974 > 31 80 P 0.51247666997071 0.59363009175259 0.55051394960282 30.974 > 31 81 P 0.84581000330404 0.59363009175259 0.55051394960282 30.974 > 31 82 P 0.15418999669596 0.59363009175259 0.94948605039718 30.974 > 34 83 P 0.48752333002929 0.59363009175259 0.94948605039718 30.974 > 34 84 P 0.82085666336263 0.59363009175259 0.94948605039718 30.974 > 34 85 P 0.31366117096228 0.60397283918113 0.47615242456751 30.974 > 37 86 P 0.64699450429561 0.60397283918113 0.47615242456751 30.974 > 37 87 P 0.98032783762895 0.60397283918113 0.47615242456751 30.974 > 37 88 P 0.23430477955334 0.92704694766612 0.71608978399649 30.974 > 40 89 P 0.56763811288668 0.92704694766612 0.71608978399649 30.974 > 40 90 P 0.90097144622001 0.92704694766612 0.71608978399649 30.974 > 40 91 P 0.06763811288668 0.57295305233388 0.21608978399649 30.974 > 43 92 P 0.40097144622001 0.57295305233388 0.21608978399649 30.974 > 43 93 P 0.73430477955334 0.57295305233388 0.21608978399649 30.974 > 43 94 P 0.01247666997071 0.90636990824741 0.05051394960282 30.974 > 46 95 P 0.34581000330404 0.90636990824741 0.05051394960282 30.974 > 46 96 P 0.67914333663737 0.90636990824741 0.05051394960282 30.974 > 46 97 P 0.23416016752099 0.76983805506175 0.20629903395541 30.974 > 49 98 P 0.56749350085433 0.76983805506175 0.20629903395541 30.974 > 49 99 P 0.90082683418766 0.76983805506175 0.20629903395541 30.974 > 49 100 P 0.26569522044666 0.57295305233388 0.28391021600351 30.974 > 52 101 P 0.59902855377999 0.57295305233388 0.28391021600351 30.974 > 52 102 P 0.93236188711332 0.57295305233388 0.28391021600351 30.974 > 52 103 P 0.14699450429561 0.89602716081887 0.97615242456751 30.974 > 55 104 P 0.48032783762895 0.89602716081887 0.97615242456751 30.974 > 55 105 P 0.81366117096228 0.89602716081887 0.97615242456751 30.974 > 55 106 P 0.09902855377999 0.92704694766612 0.78391021600351 30.974 > 58 107 P 0.43236188711332 0.92704694766612 0.78391021600351 30.974 > 58 108 P 0.76569522044666 0.92704694766612 0.78391021600351 30.974 > 58 109 P 0.06749350085433 0.73016194493825 0.70629903395542 30.974 > 61 110 P 0.40082683418766 0.73016194493825 0.70629903395542 30.974 > 61 111 P 0.73416016752099 0.73016194493825 0.70629903395542 30.974 > 61 112 P 0.32085666336263 0.90636990824741 0.44948605039718 30.974 > 64 113 P 0.65418999669596 0.90636990824741 0.44948605039718 30.974 > 64 114 P 0.98752333002929 0.90636990824741 0.44948605039718 30.974 > 64 115 P 0.09917316581234 0.76983805506175 0.29370096604459 30.974 > 67 116 P 0.43250649914567 0.76983805506175 0.29370096604459 30.974 > 67 117 P 0.76583983247901 0.76983805506175 0.29370096604459 30.974 > 67 118 P 0.26583983247901 0.73016194493825 0.79370096604458 30.974 > 70 119 P 0.59917316581234 0.73016194493825 0.79370096604458 30.974 > 70 120 P 0.93250649914567 0.73016194493825 0.79370096604458 30.974 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.9069825 0.0000000 0.1736472 0.0000000 18.2443167 0.0000000 0.1736446 0.0000000 21.3475762 -------------------------- Born effective charges -------------------------- 1 Fe -5.5686289 -0.0000000 0.1697754 0.0000000 -6.0404783 0.0000000 -0.1010286 -0.0000000 -4.8834144 2 Fe -5.5686289 -0.0000000 0.1697754 0.0000000 -6.0404783 0.0000000 -0.1010286 -0.0000000 -4.8834144 3 Fe -5.6066462 -0.5798872 -0.1498067 -0.6820877 -6.2680816 -1.2273577 0.3709026 -1.7058977 -4.5162964 4 Fe -5.6066462 0.5798872 -0.1498067 0.6820877 -6.2680816 1.2273577 0.3709026 1.7058977 -4.5162964 5 P 1.1896893 0.2543823 -0.1497517 0.4630936 1.4617549 0.1119828 0.1060490 0.2962024 1.0897137 6 P 1.1896893 -0.2543823 -0.1497517 -0.4630936 1.4617549 -0.1119828 0.1060490 -0.2962024 1.0897137 7 P 1.4709697 0.1116452 -0.0856937 -0.1166755 1.6790747 0.2394781 -0.1845867 -0.0643405 1.6904006 8 P 1.4709697 -0.1116452 -0.0856937 0.1166755 1.6790747 -0.2394781 -0.1845867 0.0643405 1.6904006 9 P 1.1896893 0.2543823 -0.1497517 0.4630936 1.4617549 0.1119828 0.1060490 0.2962024 1.0897137 10 P 1.2322960 0.5327056 0.1532703 0.5558876 0.9914906 0.0099527 0.0914391 0.2975821 0.6864336 11 P 1.2322960 -0.5327056 0.1532703 -0.5558876 0.9914906 -0.0099527 0.0914391 -0.2975821 0.6864336 12 P 1.4709697 -0.1116452 -0.0856937 0.1166755 1.6790747 -0.2394781 -0.1845867 0.0643405 1.6904006 13 P 1.6946826 -0.0154515 0.0721907 0.3493965 2.0219598 -0.1053212 -0.1478384 -0.4779509 1.2333075 14 P 1.2322960 0.5327056 0.1532703 0.5558876 0.9914906 0.0099527 0.0914391 0.2975821 0.6864336 15 P 1.1896893 -0.2543823 -0.1497517 -0.4630936 1.4617549 -0.1119828 0.1060490 -0.2962024 1.0897137 16 P 1.2322960 -0.5327056 0.1532703 -0.5558876 0.9914906 -0.0099527 0.0914391 -0.2975821 0.6864336 17 P 1.6946826 0.0154515 0.0721907 -0.3493965 2.0219598 0.1053212 -0.1478384 0.4779509 1.2333075 18 P 1.4709697 0.1116452 -0.0856937 -0.1166755 1.6790747 0.2394781 -0.1845867 -0.0643405 1.6904006 19 P 1.6946826 0.0154515 0.0721907 -0.3493965 2.0219598 0.1053212 -0.1478384 0.4779509 1.2333075 20 P 1.6946826 -0.0154515 0.0721907 0.3493965 2.0219598 -0.1053212 -0.1478384 -0.4779509 1.2333075 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 11 11 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: 0.63, Number of G-points: 301, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 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 3.654 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 11.034 ( 0.000 0.000 0.000) 0.000 11.330 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.179 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 13.060 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 13.530 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 15.102 ( 0.000 0.000 0.000) 0.000 15.302 ( 0.000 0.000 0.000) 0.000 15.999 ( 0.000 0.000 0.000) 0.000 16.080 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 45.754 -14.771 10.134) 49.136 1.107 ( 58.768 -3.653 -1.112) 58.891 1.891 ( 77.420 -49.901 0.909) 92.113 3.794 ( 12.638 -5.813 -21.409) 25.531 3.886 ( 17.514 0.374 18.592) 25.545 4.033 ( 28.635 -13.664 -17.234) 36.107 4.096 ( 27.382 -20.648 17.186) 38.360 4.975 ( 23.250 -2.128 -1.115) 23.373 5.480 ( 6.838 -11.939 -1.635) 13.855 6.241 ( -3.325 4.833 -4.752) 7.549 6.600 ( -4.190 3.339 -2.630) 5.968 6.694 ( -3.477 -2.026 -16.790) 17.265 6.935 ( -2.541 3.232 -7.101) 8.205 7.016 ( -5.172 -0.377 -3.000) 5.991 7.377 ( 8.738 -0.961 37.270) 38.293 7.509 ( 0.221 -3.368 11.166) 11.665 8.210 ( -10.545 6.683 14.062) 18.805 8.411 ( 1.079 8.782 -11.488) 14.500 8.466 ( -3.102 17.085 -6.674) 18.603 8.664 ( -4.686 -4.530 -1.950) 6.803 8.747 ( -4.849 2.207 2.304) 5.805 8.903 ( -2.253 0.944 -3.672) 4.410 9.210 ( -4.411 10.647 -8.993) 14.619 9.404 ( -7.998 -9.160 -10.043) 15.771 9.551 ( -9.815 -1.390 3.794) 10.614 9.631 ( 1.435 -3.560 -0.432) 3.862 9.843 ( 2.324 -2.349 3.025) 4.480 10.106 ( -1.666 -1.043 -1.665) 2.576 10.275 ( 5.469 -0.415 4.706) 7.227 10.445 ( -7.670 0.799 -1.939) 7.951 10.575 ( -0.868 1.870 -4.104) 4.592 10.658 ( -0.598 -0.010 -3.084) 3.142 10.824 ( 7.597 0.276 1.919) 7.840 11.025 ( -1.426 -1.024 -0.401) 1.800 11.412 ( -2.039 5.123 0.291) 5.522 11.913 ( -9.097 -0.841 -19.488) 21.524 12.070 ( -2.858 -1.943 1.110) 3.629 12.162 ( -0.999 0.971 -2.891) 3.209 12.308 ( -1.366 5.654 15.501) 16.557 12.348 ( -4.996 1.209 -1.244) 5.288 12.412 ( -1.405 -1.735 0.268) 2.248 12.747 ( -0.387 1.215 0.030) 1.276 12.790 ( 3.283 0.087 -0.954) 3.420 12.837 ( -2.944 5.915 2.703) 7.139 12.847 ( 2.787 -0.281 0.783) 2.908 12.884 ( 1.474 2.018 -2.175) 3.313 13.042 ( 2.614 4.259 -0.388) 5.012 13.149 ( -3.334 -8.891 -2.180) 9.743 13.163 ( -0.169 -7.779 0.159) 7.782 13.424 ( -1.776 0.230 6.804) 7.036 13.471 ( -4.353 2.054 0.292) 4.822 13.509 ( -3.021 -2.711 1.240) 4.245 13.677 ( -1.137 -4.774 8.036) 9.416 14.113 ( -4.324 0.928 -1.497) 4.669 14.346 ( 4.563 -1.408 0.019) 4.775 14.691 ( 3.655 -3.005 -0.942) 4.824 15.115 ( 1.666 0.855 -0.085) 1.875 15.322 ( 2.652 1.056 -0.861) 2.981 15.977 ( -2.255 0.560 1.714) 2.887 16.095 ( 1.934 0.670 -1.318) 2.434 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 44.285 -13.692 7.192) 46.908 2.188 ( 56.216 -4.315 -0.973) 56.390 3.637 ( 67.581 -41.973 1.226) 79.564 4.189 ( 24.082 -9.184 -21.821) 33.771 4.313 ( 27.597 -1.640 19.452) 33.803 4.775 ( 34.459 -15.119 -21.957) 43.567 4.919 ( 35.129 -25.175 18.226) 46.905 5.420 ( 19.662 3.538 -3.589) 20.298 5.791 ( 12.793 -12.076 -3.661) 17.969 6.244 ( 9.816 -5.774 -1.728) 11.519 6.473 ( -5.456 4.581 -0.329) 7.132 6.659 ( -2.008 -4.018 -17.437) 18.006 6.869 ( 0.126 3.435 -6.233) 7.118 6.900 ( -7.859 -1.440 -4.273) 9.060 7.442 ( -5.612 6.376 19.787) 21.534 7.592 ( 8.223 -2.951 34.999) 36.073 7.958 ( -12.098 1.579 14.434) 18.899 8.122 ( -9.554 25.304 -15.659) 31.253 8.341 ( -3.653 8.941 -5.416) 11.073 8.556 ( -8.118 1.880 -7.869) 11.461 8.632 ( -7.025 -1.045 7.887) 10.613 8.811 ( -4.978 4.779 -3.660) 7.811 8.984 ( -10.429 5.208 1.292) 11.728 9.253 ( -15.589 -4.660 -6.869) 17.662 9.413 ( -5.789 -1.977 -1.766) 6.367 9.682 ( 0.897 -4.678 -1.455) 4.981 9.898 ( 1.499 0.731 1.660) 2.353 10.089 ( 1.934 4.580 -3.432) 6.041 10.347 ( -3.935 -2.853 3.161) 5.798 10.390 ( 5.787 -0.890 3.416) 6.779 10.531 ( -1.589 2.231 -5.394) 6.049 10.664 ( 1.010 -0.707 -2.591) 2.869 10.931 ( 4.120 1.284 0.680) 4.368 11.015 ( -0.355 -2.657 -1.438) 3.042 11.298 ( -7.040 1.328 1.367) 7.293 11.714 ( -10.491 3.173 -7.878) 13.498 11.971 ( -7.927 2.041 1.792) 8.379 12.110 ( -4.715 2.064 -2.882) 5.899 12.228 ( -2.243 3.832 7.173) 8.436 12.248 ( -3.054 0.871 -2.929) 4.320 12.399 ( -2.091 -1.975 0.063) 2.877 12.692 ( -2.495 7.302 -0.845) 7.762 12.720 ( -4.183 1.171 2.759) 5.146 12.829 ( -3.299 2.598 -1.155) 4.355 12.867 ( 4.145 -0.161 0.672) 4.202 12.923 ( 2.824 0.079 1.132) 3.044 13.074 ( 2.250 3.374 -0.890) 4.152 13.141 ( -1.286 -0.496 -0.170) 1.389 13.226 ( -1.070 -7.684 -1.440) 7.891 13.312 ( -8.153 -1.959 0.836) 8.427 13.469 ( -5.251 -6.649 0.894) 8.520 13.481 ( 4.434 -0.754 -2.825) 5.311 13.703 ( -1.642 -5.573 10.945) 12.391 14.046 ( -1.391 -0.005 -2.993) 3.300 14.473 ( 7.798 -1.256 0.251) 7.902 14.797 ( 6.043 -0.387 -1.115) 6.157 15.138 ( 1.790 1.682 0.161) 2.462 15.375 ( 4.540 1.981 -1.437) 5.158 15.915 ( -3.708 1.084 3.246) 5.046 16.133 ( 3.310 1.619 -2.300) 4.343 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 41.902 -11.980 4.353) 43.798 3.210 ( 51.325 -5.301 -0.584) 51.601 4.658 ( 24.542 -12.005 -18.911) 33.228 4.834 ( 31.483 -1.398 18.996) 36.797 5.120 ( 41.724 -17.751 -11.926) 46.885 5.440 ( 27.031 -14.039 -18.368) 35.569 5.541 ( 6.792 -0.044 -0.190) 6.795 5.665 ( 21.637 -18.549 17.672) 33.534 6.083 ( 11.137 4.483 0.241) 12.008 6.308 ( -7.451 4.433 3.240) 9.256 6.592 ( 11.148 -6.813 -8.876) 15.795 6.759 ( 0.217 -5.312 -7.141) 8.903 6.773 ( 5.263 -1.987 -1.753) 5.892 6.964 ( 9.453 3.164 3.644) 10.614 7.225 ( -7.741 0.456 8.220) 11.301 7.593 ( -12.353 16.476 -11.693) 23.680 7.733 ( -8.102 -3.099 11.975) 14.787 7.864 ( -0.357 4.790 18.193) 18.817 8.127 ( -11.029 5.790 -1.406) 12.536 8.401 ( -10.145 3.133 2.759) 10.971 8.481 ( -1.308 3.754 -1.218) 4.158 8.664 ( -9.536 -0.715 3.672) 10.244 8.792 ( -10.617 -4.544 1.009) 11.593 9.017 ( -10.624 -1.990 -2.951) 11.204 9.350 ( -1.190 1.759 -4.673) 5.133 9.756 ( 3.411 -3.721 0.719) 5.099 9.885 ( -0.378 2.817 -1.191) 3.081 10.109 ( 4.885 4.193 -4.605) 7.915 10.315 ( -4.205 -4.548 2.141) 6.554 10.439 ( -1.472 3.532 -3.171) 4.970 10.519 ( 2.011 -1.336 0.698) 2.514 10.712 ( 3.738 -1.052 0.480) 3.913 10.940 ( -0.284 2.888 1.202) 3.141 11.065 ( 1.104 -3.584 -4.470) 5.835 11.151 ( -7.863 -0.824 -0.101) 7.907 11.499 ( -8.961 4.182 -3.528) 10.500 11.784 ( -7.755 4.213 2.104) 9.073 11.988 ( -4.572 3.641 -3.427) 6.775 12.154 ( -1.792 4.103 3.479) 5.670 12.226 ( -0.978 -1.608 -1.574) 2.454 12.359 ( -3.348 0.610 -0.039) 3.403 12.571 ( -4.781 5.174 4.173) 8.188 12.634 ( -3.294 1.883 -3.618) 5.243 12.747 ( -3.656 1.320 1.795) 4.281 12.894 ( -3.019 2.027 -0.187) 3.641 12.931 ( 0.091 -2.232 0.777) 2.365 13.046 ( -0.687 3.646 2.121) 4.274 13.131 ( 0.092 2.691 -1.511) 3.088 13.198 ( -7.121 -5.974 -2.411) 9.603 13.290 ( 0.833 -5.323 0.168) 5.390 13.447 ( -3.691 -8.995 0.586) 9.740 13.588 ( 2.682 -3.804 -4.343) 6.366 13.735 ( 1.776 -3.159 11.162) 11.736 14.078 ( 4.297 -1.230 -3.660) 5.776 14.640 ( 9.358 -0.512 -0.420) 9.381 14.909 ( 5.912 -0.077 -0.588) 5.941 15.142 ( 0.355 2.081 0.483) 2.165 15.442 ( 4.897 2.701 -1.896) 5.905 15.828 ( -4.535 1.670 4.440) 6.563 16.180 ( 3.580 2.119 -2.610) 4.911 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 38.719 -9.617 3.241) 40.027 4.122 ( 42.511 -6.533 0.655) 43.015 5.080 ( 12.844 -4.715 -15.891) 20.970 5.316 ( -1.342 -0.967 -10.561) 10.689 5.411 ( 18.691 -1.806 4.537) 19.318 5.665 ( 10.027 1.414 -1.809) 10.287 5.870 ( -0.275 4.343 -0.258) 4.359 6.102 ( -6.175 -2.796 14.238) 15.769 6.194 ( 3.820 2.239 2.426) 5.049 6.376 ( 33.075 -11.742 5.345) 35.502 6.671 ( -4.431 -2.877 0.809) 5.345 6.765 ( -1.587 5.405 3.744) 6.763 6.863 ( -1.408 14.746 -10.368) 18.081 7.005 ( 12.239 -4.004 -5.935) 14.180 7.206 ( -6.267 -2.412 -2.419) 7.138 7.389 ( 3.478 3.830 -4.576) 6.907 7.642 ( -12.977 -0.027 6.158) 14.364 7.814 ( 3.426 -1.604 6.277) 7.328 7.960 ( -1.722 2.705 0.271) 3.219 8.184 ( -6.840 -3.701 5.963) 9.800 8.376 ( -18.930 0.888 -0.394) 18.955 8.538 ( -3.257 -4.564 -2.607) 6.183 8.807 ( 5.841 -10.751 11.507) 16.796 8.923 ( -2.360 -2.097 -1.638) 3.557 9.342 ( 3.092 3.671 -4.840) 6.816 9.843 ( -2.927 -1.268 2.876) 4.295 9.883 ( 7.036 -1.047 -1.305) 7.232 10.161 ( 0.972 -0.551 1.062) 1.542 10.286 ( -0.688 -0.756 -5.466) 5.561 10.372 ( -0.174 1.835 -0.725) 1.981 10.551 ( 0.805 -0.074 -0.191) 0.830 10.790 ( 1.629 -0.470 2.482) 3.006 10.862 ( -3.366 3.791 -0.350) 5.082 11.080 ( -1.305 -1.941 -1.060) 2.568 11.086 ( -1.439 -2.388 -6.593) 7.158 11.313 ( -7.465 4.575 -0.990) 8.811 11.648 ( -3.550 4.436 2.180) 6.086 11.902 ( -1.959 1.311 -0.695) 2.458 12.113 ( 0.586 1.608 -0.696) 1.848 12.213 ( -2.092 -0.090 1.155) 2.392 12.278 ( -2.496 2.645 -2.207) 4.254 12.437 ( -4.513 4.467 6.588) 9.150 12.588 ( -0.850 0.145 -3.888) 3.983 12.672 ( -3.650 0.133 2.280) 4.306 12.802 ( -5.347 2.574 -3.529) 6.904 12.935 ( -3.093 -5.822 1.028) 6.672 12.976 ( -2.109 3.811 5.002) 6.632 13.110 ( -0.123 2.811 -2.800) 3.970 13.148 ( -3.730 -6.295 -3.489) 8.106 13.345 ( 1.330 -1.781 1.937) 2.948 13.488 ( -1.968 -9.769 -1.184) 10.035 13.593 ( -2.281 0.597 1.634) 2.869 13.851 ( 6.189 -3.077 3.772) 7.874 14.202 ( 6.870 -2.189 -2.697) 7.698 14.808 ( 8.714 0.260 -0.989) 8.774 15.003 ( 4.068 -0.231 -0.110) 4.076 15.113 ( -1.794 1.586 0.685) 2.490 15.498 ( 3.874 2.667 -2.385) 5.274 15.730 ( -4.470 1.850 4.885) 6.875 16.219 ( 2.642 1.885 -2.071) 3.850 ======================= Grid point 5 (6/168) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.387 ( 34.467 -6.259 4.827) 35.361 4.819 ( 24.154 -7.466 3.114) 25.472 5.000 ( -24.729 0.754 -8.232) 26.074 5.169 ( -4.159 4.855 -10.959) 12.688 5.661 ( 4.723 3.843 -5.138) 7.967 5.758 ( 8.556 2.552 10.135) 13.507 5.895 ( 0.335 1.948 -5.736) 6.068 6.032 ( -7.085 -1.750 12.987) 14.897 6.205 ( 3.559 -4.336 4.939) 7.474 6.534 ( -10.303 11.706 -9.812) 18.425 6.711 ( 10.803 -4.837 3.222) 12.267 6.794 ( 4.300 -7.538 6.327) 10.740 6.827 ( 5.749 2.540 -10.430) 12.177 7.096 ( -5.305 5.793 -3.715) 8.689 7.211 ( -11.958 12.484 7.122) 18.697 7.357 ( 11.313 -7.235 -1.102) 13.474 7.544 ( 1.896 -7.101 -1.042) 7.423 7.830 ( -1.797 3.343 5.605) 6.769 7.976 ( 2.126 1.753 -3.189) 4.215 8.049 ( -12.081 -1.271 -2.449) 12.392 8.276 ( 5.726 -6.397 6.221) 10.602 8.437 ( -8.311 -1.087 -3.536) 9.097 8.928 ( 0.581 -2.792 1.099) 3.056 9.033 ( 5.411 -4.852 3.403) 8.025 9.380 ( 3.896 3.424 -3.426) 6.216 9.754 ( -6.458 -1.874 2.346) 7.122 10.020 ( 4.740 -0.668 -0.543) 4.817 10.184 ( 0.131 -1.166 3.875) 4.049 10.290 ( 4.697 0.321 -1.618) 4.978 10.403 ( -1.896 -0.190 -4.061) 4.486 10.580 ( 2.755 -1.285 1.551) 3.413 10.715 ( -3.772 1.516 -1.625) 4.378 10.856 ( 1.040 0.757 0.210) 1.303 11.063 ( -1.689 -0.152 -4.474) 4.785 11.092 ( 0.382 -0.382 2.808) 2.860 11.159 ( -4.388 2.448 -1.303) 5.191 11.570 ( -1.379 2.241 0.706) 2.724 11.882 ( -0.204 0.198 0.371) 0.467 12.140 ( -0.436 -0.618 -2.408) 2.524 12.168 ( 0.993 -0.915 1.862) 2.300 12.236 ( -0.897 3.588 -2.462) 4.443 12.369 ( -0.346 0.309 6.530) 6.547 12.589 ( 0.529 -0.700 -2.870) 3.001 12.618 ( -1.957 1.233 2.524) 3.423 12.666 ( -5.474 0.871 -3.972) 6.819 12.934 ( -2.082 -3.814 0.299) 4.356 12.939 ( 0.868 2.573 2.631) 3.781 13.076 ( -1.091 0.622 -1.428) 1.902 13.152 ( -0.760 -2.323 -1.604) 2.924 13.377 ( 1.439 0.312 1.920) 2.420 13.494 ( -3.937 -4.343 -2.032) 6.204 13.570 ( 1.017 1.216 1.820) 2.413 13.964 ( 2.912 -1.658 0.852) 3.458 14.321 ( 3.392 -1.266 -0.952) 3.743 14.937 ( 5.471 0.530 -0.911) 5.571 15.052 ( -0.294 0.062 -0.646) 0.712 15.059 ( -1.398 0.209 1.319) 1.934 15.532 ( 1.764 1.247 -1.813) 2.820 15.652 ( -2.356 0.807 2.949) 3.860 16.240 ( 0.964 0.769 -0.791) 1.466 ======================= Grid point 12 (7/168) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 48.464 0.000 7.581) 49.053 2.227 ( 57.592 0.000 6.987) 58.015 3.180 ( 82.512 0.000 -2.952) 82.565 4.109 ( 24.545 0.000 -27.756) 37.053 4.363 ( 27.658 0.000 22.313) 35.537 4.591 ( 40.411 0.000 7.711) 41.140 4.665 ( 40.790 0.000 -9.210) 41.817 5.541 ( 4.447 0.000 -3.479) 5.646 5.571 ( 39.376 0.000 -1.910) 39.422 6.207 ( 1.080 0.000 -4.125) 4.264 6.523 ( -6.825 -0.000 -2.184) 7.166 6.620 ( -1.063 -0.000 -19.451) 19.480 6.883 ( -8.203 -0.000 -5.402) 9.822 6.902 ( -2.741 -0.000 -8.158) 8.607 7.498 ( -2.138 -0.000 18.780) 18.902 7.566 ( 10.475 0.000 44.186) 45.410 7.979 ( -17.796 -0.000 15.773) 23.780 8.425 ( -5.222 -0.000 -15.189) 16.062 8.489 ( -3.098 -0.000 -8.551) 9.095 8.494 ( -11.769 -0.000 0.990) 11.810 8.552 ( -13.430 -0.000 -3.837) 13.968 8.880 ( -2.510 -0.000 -4.549) 5.195 9.090 ( -14.943 -0.000 2.403) 15.135 9.157 ( -14.358 -0.000 -8.933) 16.910 9.376 ( -4.437 -0.000 0.372) 4.452 9.639 ( 1.192 0.000 -0.682) 1.373 9.898 ( 3.306 0.000 3.142) 4.561 10.136 ( 3.696 0.000 -4.424) 5.765 10.320 ( -5.390 -0.000 -0.305) 5.399 10.378 ( 5.563 0.000 6.049) 8.218 10.571 ( -0.838 -0.000 -3.296) 3.401 10.638 ( -0.814 -0.000 -4.709) 4.778 10.940 ( 4.835 0.000 0.635) 4.877 10.995 ( -1.265 -0.000 1.025) 1.628 11.309 ( -9.093 -0.000 1.051) 9.153 11.738 ( -10.023 -0.000 -10.745) 14.694 12.000 ( -6.146 -0.000 4.823) 7.812 12.115 ( -3.524 -0.000 -4.845) 5.991 12.255 ( -4.644 -0.000 -6.171) 7.723 12.283 ( -3.417 -0.000 10.473) 11.016 12.368 ( -1.833 -0.000 -1.515) 2.378 12.726 ( -2.412 -0.000 1.761) 2.986 12.812 ( -4.358 -0.000 -0.343) 4.371 12.819 ( -3.430 -0.000 -0.784) 3.519 12.891 ( 3.294 0.000 5.859) 6.722 12.931 ( 0.949 0.000 -2.519) 2.691 13.076 ( 2.213 0.000 -3.030) 3.752 13.120 ( 1.847 0.000 -1.641) 2.470 13.140 ( 2.669 0.000 0.215) 2.677 13.313 ( -9.555 -0.000 5.226) 10.891 13.391 ( -7.224 -0.000 -1.025) 7.297 13.477 ( 2.451 0.000 -3.340) 4.143 13.654 ( 0.509 0.000 12.827) 12.837 14.047 ( -1.972 -0.000 -3.404) 3.934 14.462 ( 8.408 0.000 0.218) 8.411 14.793 ( 6.764 0.000 -1.205) 6.871 15.153 ( 1.767 0.000 0.216) 1.780 15.392 ( 4.484 0.000 -1.591) 4.757 15.925 ( -3.676 -0.000 3.275) 4.923 16.148 ( 3.352 0.000 -2.309) 4.071 ======================= Grid point 13 (8/168) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 46.084 -3.867 5.830) 46.612 3.206 ( 51.849 2.395 5.367) 52.181 4.482 ( 37.234 -7.090 -15.174) 40.827 4.787 ( 57.515 -7.775 -6.346) 58.384 4.895 ( 34.476 0.279 14.718) 37.487 5.281 ( 23.355 -4.073 -31.789) 39.656 5.385 ( 30.912 -10.566 17.618) 37.116 5.559 ( 2.688 0.436 5.316) 5.972 6.183 ( 15.094 6.070 4.002) 16.754 6.366 ( 2.249 0.698 0.318) 2.377 6.465 ( 16.526 -6.236 -12.025) 21.368 6.640 ( 1.976 -3.943 -11.620) 12.429 6.759 ( -1.999 -0.465 -2.620) 3.328 6.920 ( 8.842 -3.202 -10.546) 14.130 7.345 ( -12.936 7.585 19.256) 24.406 7.651 ( -18.767 -4.626 15.315) 24.661 7.749 ( 5.459 1.844 29.886) 30.436 8.107 ( -12.375 18.754 -13.715) 26.324 8.226 ( -12.658 4.461 4.200) 14.063 8.363 ( -11.911 -8.164 -13.799) 19.974 8.466 ( -4.980 -4.465 -1.242) 6.803 8.728 ( -16.833 0.136 0.729) 16.849 8.759 ( -14.556 6.079 7.035) 17.272 8.948 ( -7.814 -4.928 -2.131) 9.481 9.367 ( 1.859 0.304 -4.889) 5.239 9.691 ( 3.554 -2.416 2.026) 4.751 9.921 ( -0.488 1.045 -0.535) 1.271 10.202 ( 4.701 4.361 -5.693) 8.575 10.257 ( -2.665 -1.829 0.510) 3.272 10.478 ( 4.424 -0.623 2.201) 4.980 10.523 ( -2.343 3.301 -0.227) 4.054 10.658 ( 1.315 -4.086 -1.717) 4.623 10.976 ( 0.304 1.254 2.755) 3.042 11.013 ( 1.706 -2.026 -2.522) 3.657 11.126 ( -10.711 -1.168 -0.135) 10.776 11.547 ( -9.636 1.365 -5.525) 11.191 11.850 ( -7.712 2.534 2.315) 8.441 12.037 ( -4.555 1.444 -5.544) 7.319 12.196 ( -2.246 -0.948 -5.063) 5.619 12.224 ( -1.591 2.623 6.097) 6.826 12.342 ( -2.071 -1.675 0.487) 2.708 12.647 ( -5.161 2.848 5.308) 7.933 12.703 ( -3.346 5.679 -2.969) 7.229 12.720 ( -6.650 -2.883 0.512) 7.266 12.922 ( -0.762 -0.194 -2.730) 2.841 12.950 ( -0.193 0.872 1.866) 2.069 13.094 ( -7.549 -0.754 2.188) 7.896 13.108 ( -1.309 1.358 0.081) 1.888 13.171 ( -0.287 1.183 -1.113) 1.649 13.198 ( 0.878 -4.526 -1.129) 4.746 13.305 ( -2.916 -5.595 -0.396) 6.322 13.540 ( 3.090 -1.465 -3.828) 5.133 13.703 ( 3.935 -0.839 13.552) 14.136 14.063 ( 3.696 -0.433 -4.454) 5.804 14.634 ( 10.028 -0.144 -0.523) 10.043 14.907 ( 5.581 -0.076 -0.656) 5.620 15.169 ( 0.107 0.808 0.659) 1.048 15.474 ( 4.708 0.914 -2.399) 5.362 15.849 ( -4.434 0.628 4.587) 6.410 16.207 ( 3.368 0.816 -2.556) 4.306 ======================= Grid point 14 (9/168) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( 42.704 -4.391 5.241) 43.248 4.064 ( 42.794 -0.595 3.898) 42.975 5.005 ( 20.262 -3.280 -15.577) 25.767 5.290 ( -6.566 -0.988 -15.515) 16.876 5.413 ( 27.333 0.809 12.527) 30.077 5.694 ( 11.792 2.054 -8.376) 14.610 5.887 ( 11.029 -1.926 14.349) 18.200 6.068 ( -5.519 -0.133 9.043) 10.595 6.116 ( 48.135 -14.269 0.220) 50.206 6.313 ( -4.043 9.653 -7.533) 12.895 6.604 ( -6.937 -5.207 -7.495) 11.463 6.784 ( 14.635 -7.735 2.404) 16.727 6.869 ( -12.482 3.649 7.575) 15.050 7.087 ( -8.502 -4.957 -2.397) 10.129 7.215 ( 9.979 7.378 -5.359) 13.518 7.441 ( -1.195 3.426 -6.561) 7.498 7.648 ( 3.360 3.319 -6.845) 8.316 7.869 ( -7.016 3.807 2.684) 8.422 8.023 ( -4.227 3.576 9.844) 11.294 8.165 ( -14.587 1.345 4.017) 15.190 8.351 ( -19.008 -3.400 3.162) 19.567 8.442 ( -8.008 -6.182 -5.599) 11.562 8.655 ( 7.784 -5.301 16.077) 18.632 8.893 ( -2.554 -1.516 0.259) 2.981 9.416 ( 5.738 4.166 -5.385) 8.904 9.783 ( -0.367 -4.295 4.077) 5.934 9.898 ( 2.555 1.488 -0.697) 3.038 10.189 ( -0.315 2.696 0.878) 2.853 10.283 ( 3.531 0.507 -6.704) 7.594 10.424 ( -3.626 3.801 1.506) 5.465 10.545 ( 1.703 -0.239 -1.423) 2.232 10.745 ( 2.321 -4.799 1.080) 5.439 10.916 ( -6.012 2.214 2.254) 6.791 11.027 ( -0.764 -3.045 -0.450) 3.172 11.038 ( -1.179 -2.429 -6.037) 6.614 11.369 ( -8.342 2.004 -1.664) 8.739 11.717 ( -4.207 2.673 1.199) 5.126 11.932 ( -4.118 2.533 -4.661) 6.715 12.159 ( -1.438 1.593 0.055) 2.147 12.195 ( -0.805 -0.202 0.349) 0.900 12.309 ( -2.475 0.151 0.538) 2.537 12.527 ( -4.304 4.927 6.076) 8.929 12.597 ( -4.039 0.639 -3.165) 5.171 12.648 ( -3.685 -1.096 0.508) 3.878 12.865 ( -7.697 -0.924 1.303) 7.861 12.869 ( -2.444 2.793 -2.762) 4.626 13.020 ( -4.275 -5.895 -1.742) 7.487 13.044 ( -1.447 2.155 3.032) 3.991 13.161 ( 1.396 2.302 -2.936) 3.984 13.295 ( 2.682 -6.302 0.337) 6.857 13.340 ( 0.622 -3.535 -1.266) 3.806 13.594 ( 1.942 -0.437 1.630) 2.572 13.810 ( 5.976 -1.465 7.695) 9.853 14.170 ( 6.567 -1.392 -4.275) 7.958 14.812 ( 9.217 0.197 -1.171) 9.294 14.993 ( 3.469 -0.671 0.151) 3.537 15.139 ( -2.414 1.213 0.891) 2.845 15.536 ( 3.251 1.539 -3.297) 4.879 15.757 ( -4.919 1.147 5.308) 7.327 16.247 ( 1.997 1.203 -2.025) 3.088 ======================= Grid point 15 (10/168) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( 38.434 -3.512 6.849) 39.197 4.732 ( 27.293 -2.606 3.081) 27.589 5.030 ( -17.345 2.999 -6.314) 18.701 5.263 ( 3.878 4.215 -10.313) 11.796 5.714 ( -2.467 2.087 2.909) 4.348 5.805 ( 2.002 3.032 3.146) 4.807 5.936 ( 0.896 -2.001 0.080) 2.194 5.965 ( 3.745 1.030 10.079) 10.802 6.183 ( -9.553 1.229 2.404) 9.927 6.533 ( -1.429 -14.050 -2.523) 14.346 6.606 ( -5.206 -6.528 11.024) 13.829 6.711 ( -12.412 4.503 -2.194) 13.385 6.986 ( 4.136 10.230 -22.088) 24.691 7.108 ( 9.319 -3.166 -6.701) 11.907 7.209 ( 13.590 -7.748 -0.871) 15.668 7.426 ( -3.241 0.344 -12.584) 12.999 7.489 ( -10.734 11.256 6.144) 16.723 7.899 ( 1.882 2.624 5.563) 6.433 8.007 ( 1.724 1.777 1.389) 2.839 8.017 ( -13.933 -1.872 -0.949) 14.090 8.166 ( 10.334 -6.078 8.474) 14.681 8.389 ( -1.759 -3.723 -4.452) 6.064 8.886 ( 2.962 -1.712 5.195) 6.221 8.966 ( 13.831 -2.859 10.110) 17.369 9.470 ( 2.680 6.228 -1.499) 6.943 9.728 ( -2.748 -1.645 -1.503) 3.538 10.024 ( 8.044 0.976 1.068) 8.173 10.190 ( 1.438 2.027 6.121) 6.606 10.300 ( 0.886 0.417 -0.587) 1.142 10.394 ( 0.536 -0.785 -4.289) 4.393 10.565 ( 1.561 0.216 -1.971) 2.524 10.724 ( -5.842 -1.041 -0.642) 5.968 10.866 ( 0.434 0.463 0.199) 0.665 11.023 ( -2.158 -3.380 -7.656) 8.642 11.059 ( 0.455 -2.806 2.740) 3.948 11.197 ( -8.747 1.735 0.652) 8.941 11.632 ( -2.808 3.165 0.239) 4.238 11.864 ( -2.274 -0.732 -1.920) 3.065 12.138 ( 0.622 0.599 -0.518) 1.006 12.171 ( -2.031 0.337 0.975) 2.278 12.280 ( 0.502 1.042 -2.215) 2.499 12.406 ( -4.225 3.779 7.398) 9.320 12.554 ( -2.460 -2.717 -2.170) 4.259 12.612 ( -0.911 -0.189 0.958) 1.335 12.721 ( -4.544 3.061 -3.259) 6.374 12.846 ( -1.272 -2.621 -2.258) 3.686 12.993 ( -3.011 -5.416 -1.505) 6.377 13.045 ( 3.307 4.311 4.111) 6.814 13.181 ( 3.347 2.798 -2.646) 5.102 13.363 ( -1.863 -4.880 -3.348) 6.204 13.387 ( 2.721 -2.385 2.262) 4.267 13.627 ( 3.068 3.117 3.569) 5.645 13.929 ( 4.409 -2.139 3.508) 6.027 14.292 ( 4.567 -1.756 -2.998) 5.738 14.946 ( 5.171 0.477 -1.210) 5.332 15.041 ( 0.684 -1.183 0.432) 1.433 15.069 ( -3.501 0.911 0.943) 3.739 15.558 ( 0.605 1.517 -2.556) 3.033 15.663 ( -4.089 0.517 3.396) 5.341 16.255 ( -0.174 0.810 -0.777) 1.135 ======================= Grid point 16 (11/168) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.532 ( -27.242 10.373 -1.721) 29.201 4.955 ( 19.096 1.531 9.093) 21.206 5.011 ( -12.459 7.518 1.181) 14.599 5.126 ( 11.954 0.208 4.445) 12.755 5.591 ( -11.352 -4.682 13.494) 18.245 5.689 ( -11.633 -5.650 -6.504) 14.476 5.877 ( -4.251 -0.078 2.446) 4.905 6.007 ( 8.435 -2.391 -4.449) 9.831 6.281 ( 3.657 -1.644 2.631) 4.796 6.376 ( -10.399 -0.638 -7.743) 12.981 6.634 ( -4.173 -10.930 7.477) 13.884 6.773 ( -8.895 -2.917 -17.209) 19.590 6.863 ( 5.866 -10.320 -5.423) 13.050 7.043 ( -12.081 10.603 0.705) 16.089 7.117 ( 0.652 -1.549 -2.961) 3.405 7.438 ( -0.730 2.435 -2.325) 3.445 7.632 ( 3.030 2.115 -6.804) 7.743 7.840 ( 1.257 4.644 -1.690) 5.099 7.937 ( 7.271 -2.907 8.292) 11.405 8.068 ( 6.399 1.128 2.277) 6.885 8.342 ( 0.081 -2.301 -0.849) 2.454 8.457 ( 10.236 4.399 0.093) 11.142 8.974 ( 4.844 2.116 3.707) 6.456 9.133 ( 3.654 6.031 3.354) 7.808 9.364 ( -6.256 1.645 4.180) 7.702 9.804 ( 8.866 3.601 -5.652) 11.114 10.054 ( -2.820 3.457 -0.863) 4.544 10.202 ( 2.558 0.634 6.909) 7.395 10.317 ( -6.262 3.359 -4.962) 8.667 10.395 ( 5.065 -1.247 4.959) 7.198 10.588 ( -2.310 -0.450 -2.846) 3.693 10.683 ( 1.366 -2.375 1.181) 2.983 10.847 ( -2.596 0.197 -0.544) 2.660 11.021 ( -0.991 -4.029 -1.817) 4.530 11.061 ( -2.238 -3.780 -2.039) 4.844 11.112 ( 0.569 -2.879 4.215) 5.136 11.572 ( -0.775 1.642 -1.031) 2.088 11.848 ( -1.493 -2.813 -0.341) 3.203 12.146 ( 1.173 0.787 -3.218) 3.515 12.174 ( 1.314 -2.803 2.618) 4.054 12.225 ( -4.462 3.958 2.734) 6.561 12.370 ( 0.469 -0.441 -2.036) 2.135 12.540 ( -1.159 -4.175 -0.569) 4.371 12.609 ( 0.654 0.376 1.161) 1.385 12.699 ( 4.674 3.032 -0.303) 5.580 12.853 ( -0.655 -3.744 -5.735) 6.880 13.013 ( 0.458 -3.682 1.738) 4.097 13.075 ( 5.114 7.476 2.575) 9.417 13.217 ( 2.727 2.971 -0.194) 4.038 13.369 ( 0.826 -0.699 -3.365) 3.535 13.457 ( 2.523 -3.751 0.915) 4.613 13.650 ( 3.680 5.985 2.739) 7.541 13.981 ( -0.245 0.231 1.236) 1.282 14.332 ( -1.546 -0.028 -1.127) 1.913 14.929 ( -5.843 -0.348 0.554) 5.880 15.041 ( -2.088 -1.465 0.598) 2.620 15.059 ( 2.402 0.628 -0.652) 2.567 15.519 ( -3.829 -0.194 2.483) 4.568 15.635 ( 0.908 -1.005 -3.789) 4.024 16.229 ( -2.257 -0.392 0.854) 2.445 ======================= Grid point 17 (12/168) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( -31.427 16.336 0.760) 35.427 4.296 ( -39.111 12.733 2.977) 41.239 5.152 ( -5.376 3.131 15.358) 16.570 5.301 ( -7.325 -2.290 4.261) 8.778 5.485 ( -6.137 4.116 -1.390) 7.519 5.626 ( 6.344 -3.290 6.946) 9.966 5.782 ( -7.257 -3.119 2.654) 8.332 6.148 ( 0.563 2.223 -12.782) 12.986 6.191 ( 2.565 -1.505 -7.556) 8.120 6.436 ( -12.405 -8.536 -2.050) 15.197 6.500 ( -3.419 -10.796 -1.677) 11.448 6.638 ( -4.226 -6.156 -1.116) 7.550 6.839 ( -1.871 8.577 -5.185) 10.195 7.098 ( -10.874 -5.177 7.298) 14.082 7.165 ( -0.394 -3.257 -3.349) 4.688 7.311 ( 6.933 1.123 0.079) 7.024 7.647 ( 5.692 -1.045 -9.009) 10.707 7.906 ( 5.385 6.439 -3.997) 9.297 7.993 ( 1.004 7.496 7.035) 10.329 8.266 ( 2.813 3.286 -0.569) 4.363 8.344 ( 13.932 -1.230 -4.429) 14.671 8.586 ( 3.690 0.770 2.940) 4.781 8.961 ( -1.923 6.155 -2.528) 6.926 9.032 ( -2.017 10.865 0.576) 11.066 9.303 ( -1.189 -0.270 4.370) 4.537 9.858 ( -0.985 1.829 -2.007) 2.888 9.914 ( -8.323 1.526 1.200) 8.547 10.211 ( 1.061 4.505 -1.915) 5.009 10.310 ( 6.697 1.986 4.225) 8.164 10.364 ( -4.788 1.004 1.878) 5.240 10.540 ( -2.207 -1.432 -0.653) 2.711 10.780 ( -3.728 -1.464 -1.884) 4.426 10.783 ( 3.194 -4.915 2.743) 6.471 11.062 ( -0.311 -4.500 2.253) 5.042 11.099 ( 2.346 -1.458 0.264) 2.775 11.212 ( 5.916 -6.165 3.351) 9.178 11.590 ( 2.796 -1.958 -2.615) 4.300 11.862 ( 0.346 -3.189 -0.197) 3.214 12.118 ( -3.439 1.444 2.161) 4.311 12.194 ( 3.198 -1.346 -3.997) 5.292 12.235 ( 2.747 -2.290 3.425) 4.952 12.391 ( 2.601 -0.717 -5.422) 6.056 12.574 ( 0.407 -2.758 2.726) 3.900 12.639 ( 1.881 -1.596 -1.242) 2.762 12.782 ( 4.533 -0.415 -0.226) 4.557 12.908 ( 3.762 -2.701 -3.807) 5.996 13.057 ( 1.672 -0.625 1.069) 2.081 13.084 ( 2.620 7.145 4.319) 8.750 13.231 ( 2.761 2.878 -1.765) 4.361 13.392 ( 2.183 3.680 0.568) 4.316 13.547 ( 2.790 -2.802 -3.290) 5.144 13.662 ( 4.913 7.590 3.363) 9.646 13.915 ( -4.283 3.973 -1.234) 5.971 14.241 ( -6.598 2.048 0.858) 6.962 14.804 ( -7.925 -0.175 0.769) 7.964 14.995 ( -4.353 -1.283 0.377) 4.554 15.090 ( 0.682 -0.914 -0.532) 1.259 15.448 ( -5.295 -2.782 2.018) 6.313 15.695 ( 3.892 -2.016 -5.008) 6.655 16.185 ( -3.574 -1.807 2.240) 4.589 ======================= Grid point 18 (13/168) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -33.006 22.188 0.541) 39.774 3.412 ( -43.134 16.789 4.988) 46.555 4.895 ( -15.701 13.134 17.270) 26.782 4.910 ( -24.151 7.396 -17.043) 30.471 5.339 ( -19.582 8.580 18.859) 28.508 5.464 ( -3.048 -3.551 5.047) 6.883 5.818 ( -21.248 17.014 0.652) 27.228 5.983 ( -11.634 10.835 -0.322) 15.901 6.051 ( -13.517 8.042 -15.495) 22.079 6.238 ( 5.982 -3.107 -11.538) 13.363 6.643 ( -0.268 -17.722 2.220) 17.863 6.703 ( -5.351 2.699 4.063) 7.240 6.777 ( -0.252 -5.388 -0.434) 5.411 6.885 ( 2.193 1.692 1.236) 3.033 7.229 ( -0.494 -4.710 -2.952) 5.581 7.424 ( 4.512 0.748 9.545) 10.585 7.806 ( 1.005 1.879 -11.266) 11.466 7.839 ( 3.680 5.390 0.164) 6.529 8.043 ( 7.345 -3.007 0.325) 7.943 8.313 ( 8.101 -4.623 -11.394) 14.725 8.450 ( -11.253 1.989 -4.682) 12.349 8.701 ( 14.522 0.925 7.323) 16.290 8.883 ( 1.967 5.333 -8.751) 10.435 9.024 ( 7.479 0.274 3.567) 8.290 9.314 ( 1.772 -1.733 4.307) 4.969 9.782 ( -4.442 -0.954 0.853) 4.623 9.832 ( -1.099 -2.747 1.197) 3.192 10.098 ( -6.762 2.808 4.547) 8.619 10.382 ( 2.782 -2.359 3.016) 4.733 10.405 ( 3.890 4.346 -3.107) 6.609 10.531 ( 0.930 -0.074 0.600) 1.109 10.684 ( -7.593 -4.120 -0.716) 8.668 10.880 ( 1.129 -3.821 1.433) 4.234 11.113 ( 0.675 -0.558 7.177) 7.231 11.139 ( 4.185 -0.533 -2.806) 5.067 11.398 ( 7.437 -7.114 3.121) 10.754 11.711 ( 7.896 -4.144 -2.820) 9.352 11.923 ( 3.061 -3.580 0.620) 4.751 12.097 ( 0.610 -2.143 -1.359) 2.610 12.243 ( 1.475 0.058 -0.836) 1.697 12.325 ( 4.394 -2.495 0.454) 5.073 12.487 ( 4.748 -4.215 -3.644) 7.321 12.609 ( 1.867 -1.393 3.897) 4.540 12.689 ( 0.805 -3.602 -2.011) 4.203 12.865 ( 3.569 -2.258 -2.728) 5.028 12.989 ( 1.898 -0.898 -0.714) 2.218 13.036 ( 0.248 7.076 2.600) 7.543 13.089 ( 0.450 -1.410 1.289) 1.963 13.286 ( 6.376 4.121 -1.315) 7.705 13.371 ( -0.633 3.828 1.706) 4.239 13.569 ( 1.467 3.948 -3.337) 5.374 13.663 ( -2.588 4.287 5.112) 7.156 13.829 ( 2.971 7.434 -6.214) 10.134 14.105 ( -5.096 1.789 2.463) 5.936 14.653 ( -7.970 1.073 0.210) 8.045 14.907 ( -5.895 -0.400 0.472) 5.927 15.101 ( -1.030 -2.454 -0.206) 2.669 15.381 ( -5.493 -4.082 1.220) 6.952 15.794 ( 4.696 -2.148 -4.346) 6.750 16.137 ( -3.937 -2.641 2.810) 5.511 ======================= Grid point 19 (14/168) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -31.149 29.600 -0.584) 42.974 2.466 ( -39.897 25.208 5.161) 47.474 4.377 ( -30.115 31.355 1.406) 43.497 4.400 ( -18.938 15.152 -10.771) 26.538 4.572 ( -37.094 32.438 5.391) 49.570 5.091 ( -24.335 19.811 22.874) 38.832 5.348 ( -18.621 9.355 -4.752) 21.374 5.463 ( -20.662 18.973 -9.181) 29.516 5.897 ( -4.551 1.384 3.869) 6.131 6.373 ( 3.686 -6.247 -4.433) 8.501 6.466 ( -12.778 16.337 1.439) 20.791 6.687 ( -3.191 -4.674 3.233) 6.518 6.820 ( 1.971 -1.761 0.908) 2.795 6.952 ( 5.396 6.492 10.614) 13.561 7.295 ( 4.504 -9.066 -19.315) 21.807 7.604 ( 5.250 -12.673 10.479) 17.262 7.738 ( -2.837 -3.628 -12.746) 13.553 7.938 ( 6.186 -0.935 -9.105) 11.048 8.158 ( -2.971 -10.674 7.822) 13.563 8.375 ( 1.188 -13.002 -3.806) 13.600 8.598 ( 13.395 -7.359 -8.928) 17.700 8.816 ( 3.743 5.248 4.779) 8.025 8.933 ( 5.279 -1.217 -2.796) 6.096 9.273 ( 14.382 -2.713 5.037) 15.478 9.409 ( 6.909 -1.970 2.014) 7.462 9.762 ( 0.941 2.244 1.806) 3.030 9.857 ( -0.186 -3.821 0.735) 3.896 10.012 ( -1.704 -2.825 3.023) 4.475 10.377 ( -5.056 -2.028 -4.070) 6.800 10.399 ( -0.639 1.390 -1.476) 2.125 10.534 ( -0.770 1.489 5.513) 5.762 10.637 ( -0.473 -2.739 0.773) 2.885 10.891 ( -3.441 -3.264 0.569) 4.776 11.086 ( 0.401 4.869 4.677) 6.764 11.258 ( 4.838 -3.102 -2.004) 6.086 11.616 ( 9.448 -7.842 4.425) 13.052 11.933 ( 11.289 -3.085 -0.438) 11.711 12.032 ( 4.707 -5.428 0.553) 7.206 12.151 ( 1.710 -4.232 -5.791) 7.374 12.257 ( 1.140 1.197 0.397) 1.700 12.411 ( 2.793 -0.867 -0.406) 2.953 12.586 ( 1.741 -5.011 -1.173) 5.433 12.688 ( 3.629 -3.173 2.408) 5.388 12.725 ( -0.856 -5.452 -1.541) 5.729 12.900 ( -1.638 3.326 -0.727) 3.779 12.976 ( -2.086 -0.259 0.309) 2.125 13.013 ( 1.375 0.823 1.901) 2.486 13.123 ( 3.109 -0.453 -1.216) 3.369 13.325 ( -0.346 3.469 0.006) 3.486 13.364 ( 5.314 3.302 1.412) 6.414 13.507 ( -6.129 1.965 0.060) 6.437 13.584 ( 1.545 5.578 -0.098) 5.789 13.837 ( 4.726 8.440 -5.504) 11.129 14.053 ( 0.259 1.143 1.793) 2.142 14.507 ( -6.147 2.551 -0.372) 6.666 14.806 ( -4.625 0.587 0.900) 4.748 15.097 ( -1.932 -2.880 0.012) 3.469 15.322 ( -4.824 -3.955 0.981) 6.315 15.889 ( 3.787 -1.775 -3.127) 5.222 16.095 ( -3.156 -2.601 2.374) 4.728 ======================= Grid point 20 (15/168) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -28.371 35.297 0.476) 45.288 1.595 ( -16.725 46.955 3.623) 49.977 2.967 ( -56.594 66.098 -4.696) 87.143 3.999 ( -7.798 17.499 -18.142) 26.384 4.072 ( -7.791 19.918 16.340) 26.915 4.427 ( -24.350 28.881 24.689) 45.128 4.601 ( -27.199 34.125 -19.758) 47.902 5.072 ( -15.468 8.714 0.892) 17.776 5.820 ( -2.732 20.413 3.523) 20.895 6.121 ( -6.046 -3.328 1.440) 7.050 6.515 ( 4.995 -6.279 -2.297) 8.346 6.696 ( -1.992 -4.714 6.267) 8.091 6.862 ( 3.425 -0.679 11.802) 12.308 7.022 ( 3.724 -0.226 5.029) 6.262 7.394 ( -3.773 -0.458 -33.195) 33.412 7.575 ( 1.780 2.903 -4.530) 5.667 8.004 ( 4.519 -27.941 7.490) 29.279 8.069 ( 4.910 -7.473 -9.872) 13.320 8.218 ( -3.791 -14.824 10.200) 18.389 8.539 ( 0.553 -17.190 -2.138) 17.331 8.765 ( 3.805 4.739 -1.445) 6.247 8.899 ( 6.414 -1.307 1.405) 6.695 9.063 ( 4.179 -6.109 0.247) 7.406 9.492 ( 8.621 0.165 8.022) 11.778 9.584 ( 8.867 0.887 -1.597) 9.054 9.723 ( -0.713 6.191 1.795) 6.485 9.874 ( -0.358 -0.104 -1.626) 1.668 10.081 ( 4.534 -4.036 1.571) 6.270 10.279 ( -5.707 -0.558 -5.806) 8.161 10.411 ( 2.438 -3.323 0.947) 4.229 10.525 ( -1.557 -4.218 3.700) 5.822 10.656 ( 1.019 0.337 1.873) 2.159 10.817 ( -5.926 -0.465 -0.602) 5.975 11.069 ( 1.701 4.233 2.187) 5.059 11.331 ( -0.595 -3.622 0.213) 3.676 11.868 ( 10.232 -6.536 8.649) 14.907 12.098 ( 6.293 0.103 2.840) 6.905 12.139 ( -0.025 -1.677 -3.840) 4.190 12.224 ( 0.917 -3.943 -7.982) 8.950 12.312 ( 6.203 -2.386 -0.709) 6.684 12.432 ( -0.157 0.837 -0.244) 0.886 12.667 ( 0.418 -8.435 -0.291) 8.450 12.736 ( -0.181 -3.547 -0.830) 3.647 12.765 ( -1.220 -5.273 1.614) 5.647 12.824 ( -2.356 1.724 -0.047) 2.920 12.933 ( 0.091 4.696 2.628) 5.382 13.004 ( -1.950 -0.468 -0.618) 2.099 13.211 ( 4.453 0.634 -0.539) 4.530 13.286 ( -0.114 4.917 -1.383) 5.109 13.388 ( -3.649 -1.652 2.263) 4.600 13.455 ( 4.526 -0.012 -0.339) 4.539 13.565 ( 0.144 2.740 -0.809) 2.861 13.837 ( 4.151 10.848 -5.055) 12.668 14.076 ( 1.217 -2.741 0.757) 3.093 14.392 ( -3.252 3.677 -0.287) 4.917 14.746 ( 0.061 2.765 0.755) 2.867 15.086 ( -1.574 -2.361 0.099) 2.839 15.282 ( -3.054 -3.425 0.769) 4.653 15.956 ( 1.955 -1.715 -1.590) 3.048 16.074 ( -1.329 -1.724 1.159) 2.466 ======================= Grid point 21 (16/168) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 44.206 -0.000) 44.206 1.106 ( 0.000 61.824 -0.000) 61.824 1.514 ( 0.000 84.842 -0.000) 84.842 3.826 ( 0.000 16.123 -0.000) 16.123 3.833 ( 0.000 16.446 -0.000) 16.446 3.916 ( 0.000 26.119 -0.000) 26.119 3.998 ( 0.000 26.802 -0.000) 26.802 4.819 ( 0.000 10.123 -0.000) 10.123 5.559 ( 0.000 21.240 -0.000) 21.240 6.193 ( -0.000 -11.670 0.000) 11.670 6.625 ( -0.000 -3.189 0.000) 3.189 6.712 ( -0.000 -4.384 0.000) 4.384 6.945 ( -0.000 -6.071 0.000) 6.071 7.059 ( -0.000 -0.092 0.000) 0.092 7.296 ( 0.000 3.452 -0.000) 3.452 7.562 ( 0.000 6.641 -0.000) 6.641 8.244 ( -0.000 -13.534 0.000) 13.534 8.258 ( -0.000 -13.674 0.000) 13.674 8.305 ( -0.000 -23.826 0.000) 23.826 8.686 ( -0.000 -14.165 0.000) 14.165 8.751 ( 0.000 5.195 -0.000) 5.195 8.957 ( 0.000 2.546 -0.000) 2.546 9.146 ( -0.000 -5.796 0.000) 5.796 9.576 ( 0.000 7.412 -0.000) 7.412 9.614 ( 0.000 1.531 -0.000) 1.531 9.676 ( 0.000 3.545 -0.000) 3.545 9.860 ( 0.000 3.144 -0.000) 3.144 10.196 ( -0.000 -4.211 0.000) 4.211 10.217 ( -0.000 -0.181 0.000) 0.181 10.512 ( -0.000 -3.687 0.000) 3.687 10.544 ( -0.000 -7.026 0.000) 7.026 10.684 ( -0.000 -0.249 0.000) 0.249 10.718 ( 0.000 2.839 -0.000) 2.839 11.056 ( 0.000 2.638 -0.000) 2.638 11.317 ( -0.000 -1.370 0.000) 1.370 12.073 ( -0.000 -7.002 0.000) 7.002 12.091 ( 0.000 2.192 -0.000) 2.192 12.201 ( -0.000 -0.356 0.000) 0.356 12.209 ( -0.000 -1.177 0.000) 1.177 12.393 ( 0.000 0.688 -0.000) 0.688 12.425 ( -0.000 -0.606 0.000) 0.606 12.718 ( -0.000 -5.041 0.000) 5.041 12.773 ( -0.000 -4.056 0.000) 4.056 12.777 ( 0.000 1.688 -0.000) 1.688 12.845 ( -0.000 -9.063 0.000) 9.063 12.892 ( 0.000 2.886 -0.000) 2.886 12.991 ( -0.000 -0.170 0.000) 0.170 13.225 ( 0.000 6.432 -0.000) 6.432 13.242 ( 0.000 2.210 -0.000) 2.210 13.387 ( -0.000 -6.010 0.000) 6.010 13.521 ( 0.000 0.219 -0.000) 0.219 13.553 ( -0.000 -0.853 0.000) 0.853 13.783 ( 0.000 10.858 -0.000) 10.858 14.125 ( -0.000 -4.482 0.000) 4.482 14.328 ( 0.000 3.557 -0.000) 3.557 14.754 ( 0.000 1.664 -0.000) 1.664 15.088 ( -0.000 -1.570 0.000) 1.570 15.279 ( -0.000 -2.588 0.000) 2.588 15.991 ( -0.000 -1.765 0.000) 1.765 16.073 ( -0.000 -0.767 0.000) 0.767 ======================= Grid point 24 (17/168) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 43.938 0.000 5.740) 44.311 4.067 ( 41.698 0.000 5.281) 42.031 4.974 ( 23.432 0.000 -15.198) 27.930 5.285 ( -8.099 -0.000 -15.364) 17.368 5.419 ( 26.481 0.000 13.574) 29.757 5.726 ( 10.308 0.000 -13.049) 16.629 5.861 ( 19.012 0.000 21.033) 28.352 5.960 ( 61.934 0.000 -1.779) 61.960 6.081 ( -11.640 -0.000 6.281) 13.227 6.476 ( -10.319 -0.000 -1.493) 10.426 6.492 ( -6.173 -0.000 -18.517) 19.519 6.693 ( 14.841 0.000 1.892) 14.961 6.910 ( -17.064 -0.000 11.479) 20.566 7.032 ( -4.920 -0.000 -4.101) 6.405 7.254 ( 17.027 0.000 -1.711) 17.113 7.485 ( 8.399 0.000 2.354) 8.723 7.728 ( -4.718 -0.000 -8.453) 9.680 7.884 ( -16.622 -0.000 -16.851) 23.669 8.066 ( -6.577 -0.000 12.283) 13.933 8.190 ( -7.366 -0.000 4.847) 8.818 8.309 ( -24.299 -0.000 8.309) 25.681 8.361 ( -5.354 -0.000 -1.836) 5.660 8.616 ( 4.353 0.000 15.434) 16.036 8.877 ( -1.475 -0.000 0.158) 1.484 9.461 ( 7.755 0.000 -6.629) 10.202 9.735 ( -0.454 -0.000 5.471) 5.490 9.913 ( 1.871 0.000 -0.125) 1.875 10.215 ( -0.786 -0.000 1.634) 1.813 10.295 ( 3.058 0.000 -8.967) 9.474 10.475 ( -5.212 -0.000 4.219) 6.705 10.550 ( 3.556 0.000 -1.600) 3.899 10.669 ( 2.266 0.000 -1.548) 2.744 10.936 ( -7.100 -0.000 2.443) 7.508 11.000 ( 0.505 0.000 1.556) 1.636 11.013 ( -0.955 -0.000 -4.676) 4.772 11.388 ( -8.620 -0.000 -3.100) 9.160 11.739 ( -5.654 -0.000 -0.140) 5.656 11.966 ( -3.918 -0.000 -5.287) 6.580 12.148 ( -2.254 -0.000 -3.175) 3.894 12.221 ( -0.528 -0.000 3.651) 3.689 12.298 ( -2.041 -0.000 1.583) 2.583 12.584 ( -5.372 -0.000 -1.603) 5.607 12.587 ( -4.464 -0.000 8.106) 9.254 12.661 ( -3.289 -0.000 -2.872) 4.367 12.854 ( -8.568 -0.000 4.550) 9.701 12.875 ( -2.510 -0.000 -8.740) 9.093 12.996 ( -7.504 -0.000 0.251) 7.508 13.049 ( 0.743 0.000 2.442) 2.552 13.184 ( 1.580 0.000 -3.011) 3.400 13.218 ( 3.671 0.000 0.704) 3.738 13.319 ( 3.006 0.000 -1.518) 3.367 13.588 ( 3.431 0.000 1.185) 3.630 13.798 ( 5.681 0.000 9.712) 11.251 14.157 ( 6.369 0.000 -4.912) 8.043 14.814 ( 9.407 0.000 -1.262) 9.491 14.986 ( 3.128 0.000 0.259) 3.139 15.151 ( -2.592 -0.000 0.995) 2.776 15.550 ( 3.079 0.000 -3.740) 4.844 15.768 ( -5.064 -0.000 5.552) 7.515 16.258 ( 1.770 0.000 -2.025) 2.689 ======================= Grid point 25 (18/168) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( 39.849 -1.232 7.845) 40.633 4.712 ( 28.417 -0.164 2.060) 28.492 5.100 ( -10.244 3.881 -4.862) 11.985 5.277 ( 6.572 -1.955 -2.772) 7.396 5.762 ( 1.008 1.761 2.928) 3.563 5.854 ( 2.066 4.461 -4.847) 6.903 5.894 ( -7.979 -0.317 5.591) 9.748 6.002 ( 10.328 -2.408 -1.607) 10.726 6.234 ( -18.439 4.317 2.765) 19.139 6.351 ( -6.363 -4.332 6.855) 10.308 6.466 ( -15.981 -7.962 9.597) 20.270 6.737 ( -9.172 -0.500 3.528) 9.840 7.039 ( 39.491 -2.307 -4.794) 39.848 7.058 ( 9.181 -2.711 -5.514) 11.048 7.213 ( -12.184 7.197 -27.769) 31.166 7.399 ( -5.258 -2.218 -27.766) 28.346 7.713 ( -16.548 10.935 7.998) 21.386 7.877 ( -7.874 -4.727 2.260) 9.458 8.010 ( -0.425 0.641 12.000) 12.025 8.033 ( 0.374 0.909 2.867) 3.030 8.066 ( 10.049 -4.263 8.372) 13.757 8.334 ( 6.549 -1.856 -6.085) 9.130 8.871 ( 2.740 -0.170 4.206) 5.023 8.929 ( 20.132 -1.253 16.422) 26.010 9.582 ( -0.307 6.003 0.004) 6.010 9.679 ( 3.150 -3.943 -3.696) 6.256 10.046 ( 10.924 1.068 5.666) 12.353 10.223 ( 2.213 0.668 1.601) 2.812 10.325 ( -2.310 2.864 0.058) 3.680 10.373 ( -1.401 -1.719 -1.480) 2.666 10.587 ( 1.541 1.641 -5.432) 5.880 10.676 ( -4.864 -3.362 -1.891) 6.208 10.877 ( 0.615 0.757 1.332) 1.652 10.972 ( -3.850 -1.969 -5.425) 6.937 11.016 ( 0.049 -1.490 3.544) 3.845 11.221 ( -9.730 0.872 -1.143) 9.836 11.647 ( -4.753 -0.619 -0.668) 4.839 11.890 ( -2.786 2.534 -4.346) 5.751 12.121 ( -1.461 -1.842 0.338) 2.375 12.198 ( -0.831 2.011 0.277) 2.193 12.276 ( -0.487 -1.080 1.345) 1.792 12.472 ( -7.276 2.656 5.346) 9.412 12.517 ( -2.618 -1.151 -1.712) 3.334 12.618 ( -0.864 0.558 0.037) 1.029 12.749 ( -2.244 0.592 2.451) 3.375 12.832 ( -2.445 -0.685 -9.966) 10.284 12.911 ( -1.717 -1.939 2.153) 3.368 13.095 ( 4.407 0.498 0.981) 4.543 13.217 ( 2.770 1.075 -4.678) 5.542 13.288 ( 2.058 -1.544 2.589) 3.650 13.370 ( 2.598 -0.729 -0.921) 2.851 13.664 ( 4.948 1.007 3.504) 6.146 13.899 ( 4.628 -0.935 6.102) 7.715 14.268 ( 4.942 -0.814 -4.350) 6.634 14.953 ( 5.035 0.243 -1.526) 5.267 15.021 ( 0.348 -0.741 1.061) 1.340 15.083 ( -3.758 0.489 0.959) 3.910 15.578 ( 0.304 0.608 -3.838) 3.898 15.670 ( -5.363 0.221 4.432) 6.960 16.265 ( -0.818 0.347 -0.795) 1.192 ======================= Grid point 26 (19/168) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.750 ( -17.776 13.797 1.697) 22.566 4.933 ( 30.481 -1.379 12.703) 33.051 5.113 ( 11.837 1.072 2.592) 12.165 5.225 ( -13.991 8.246 -1.520) 16.312 5.435 ( -16.375 -10.939 15.683) 25.174 5.617 ( -23.670 -1.883 4.518) 24.171 5.875 ( -6.114 -1.234 -4.270) 7.558 5.999 ( 6.238 1.941 -7.432) 9.895 6.222 ( 3.604 -0.341 5.341) 6.452 6.387 ( -3.036 -6.991 0.548) 7.642 6.482 ( -8.387 -1.578 -4.295) 9.554 6.532 ( 6.575 -13.875 -5.515) 16.315 6.874 ( -16.810 2.768 -27.140) 32.044 7.046 ( -4.667 -3.292 -4.363) 7.187 7.256 ( -13.295 10.505 -0.378) 16.948 7.462 ( 3.030 -0.097 -10.117) 10.562 7.648 ( 3.224 0.718 0.406) 3.328 7.865 ( 18.487 -4.511 5.443) 19.792 7.948 ( -0.202 5.878 -0.001) 5.882 8.088 ( 5.998 0.867 4.845) 7.759 8.239 ( 1.872 -6.927 5.950) 9.321 8.558 ( 12.227 5.128 -3.139) 13.626 8.996 ( 9.595 0.434 5.149) 10.899 9.228 ( 10.422 4.161 8.811) 14.268 9.419 ( -7.196 3.519 3.810) 8.870 9.864 ( 9.872 2.724 -6.255) 12.000 10.145 ( -0.002 6.536 -1.555) 6.718 10.221 ( 0.878 1.600 9.431) 9.606 10.349 ( 4.625 -2.936 2.449) 6.000 10.380 ( 0.342 1.710 -0.962) 1.992 10.579 ( -3.163 -0.517 -5.626) 6.475 10.625 ( -0.340 -3.587 -0.177) 3.608 10.856 ( -2.193 0.362 -1.072) 2.467 10.956 ( -1.281 -3.389 -5.118) 6.270 10.993 ( -8.188 -2.030 2.717) 8.862 11.058 ( -2.623 -3.039 2.686) 4.830 11.576 ( -4.149 -1.933 -0.930) 4.671 11.833 ( -1.033 1.831 -2.465) 3.240 12.129 ( 0.316 -2.338 2.973) 3.795 12.171 ( 0.271 1.825 -2.507) 3.113 12.286 ( -3.442 2.271 1.708) 4.463 12.338 ( -1.554 -2.398 2.740) 3.959 12.489 ( -1.690 -1.561 -2.315) 3.264 12.615 ( 0.777 0.342 1.362) 1.605 12.755 ( 3.799 2.931 -0.841) 4.871 12.806 ( -0.518 -1.717 -8.824) 9.004 12.951 ( 2.709 -2.798 3.855) 5.480 13.188 ( 7.009 4.021 -0.872) 8.128 13.255 ( 1.810 2.169 0.349) 2.846 13.333 ( 3.288 -2.783 -2.062) 4.776 13.427 ( 2.896 -0.120 1.247) 3.155 13.735 ( 4.579 3.386 3.667) 6.774 13.976 ( 2.464 -0.571 2.805) 3.777 14.324 ( 0.073 -0.657 -2.794) 2.871 14.926 ( -6.204 -0.077 0.086) 6.205 15.011 ( -2.589 -1.577 1.194) 3.259 15.075 ( 1.951 0.887 -0.592) 2.223 15.521 ( -6.008 0.170 4.028) 7.235 15.620 ( 0.127 -0.673 -5.402) 5.446 16.226 ( -3.256 -0.087 0.913) 3.383 ======================= Grid point 27 (20/168) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( -22.005 22.195 5.785) 31.785 4.551 ( -34.271 15.480 6.570) 38.175 5.177 ( -11.065 -1.692 14.357) 18.205 5.250 ( -1.197 -2.520 6.581) 7.148 5.414 ( -3.315 -10.198 0.937) 10.764 5.591 ( 17.683 -5.237 5.267) 19.179 5.787 ( -3.729 2.970 5.184) 7.042 6.019 ( -9.343 -9.118 -3.187) 13.438 6.231 ( 2.445 3.580 -14.953) 15.569 6.271 ( -2.425 -3.903 -4.628) 6.522 6.489 ( -16.087 2.123 -16.323) 23.016 6.530 ( 0.648 -4.741 -0.724) 4.839 6.846 ( -0.016 -12.868 0.883) 12.899 6.957 ( -0.158 -4.738 -14.074) 14.851 7.104 ( -1.647 2.154 1.356) 3.032 7.467 ( 2.520 8.126 -1.370) 8.618 7.598 ( -1.085 -0.335 0.598) 1.284 7.991 ( 10.201 2.642 -1.330) 10.621 8.159 ( 2.212 7.080 1.596) 7.587 8.261 ( 11.483 -1.647 0.402) 11.608 8.321 ( 7.498 -3.020 0.679) 8.111 8.622 ( 1.266 4.842 3.052) 5.862 9.088 ( 0.209 7.366 1.323) 7.487 9.194 ( -1.295 6.112 2.395) 6.691 9.353 ( 0.054 6.235 3.650) 7.225 9.888 ( -4.817 -0.085 0.048) 4.818 9.970 ( -9.658 6.661 1.020) 11.777 10.294 ( -0.101 3.783 -5.412) 6.604 10.353 ( 11.480 2.849 3.015) 12.207 10.402 ( -5.231 2.847 3.546) 6.931 10.503 ( -4.873 -2.269 -1.680) 5.632 10.673 ( -3.006 -6.695 1.419) 7.475 10.764 ( -3.974 -0.796 0.255) 4.061 10.932 ( -1.390 -8.954 0.588) 9.080 11.045 ( 5.391 -3.899 -2.667) 7.168 11.115 ( 3.671 -4.758 5.765) 8.327 11.548 ( -1.026 -3.785 -2.181) 4.487 11.824 ( 1.052 -0.076 -0.724) 1.279 12.139 ( -3.631 0.515 3.592) 5.133 12.184 ( 2.090 0.396 -3.214) 3.855 12.207 ( 2.010 -0.711 0.994) 2.352 12.382 ( 1.239 -1.488 -0.928) 2.147 12.502 ( 0.690 -3.718 -0.599) 3.829 12.635 ( 1.620 0.395 1.433) 2.199 12.777 ( 1.090 -0.160 -8.547) 8.618 12.881 ( 6.219 -0.489 -0.260) 6.244 13.031 ( 3.575 -0.952 3.915) 5.387 13.225 ( 0.743 6.552 5.952) 8.883 13.270 ( 5.119 2.652 -6.451) 8.652 13.460 ( 2.239 3.197 2.193) 4.477 13.479 ( 6.852 -4.195 -2.924) 8.550 13.766 ( 2.235 4.019 4.194) 6.224 13.984 ( 0.018 3.581 -0.418) 3.606 14.270 ( -5.460 1.175 -0.712) 5.630 14.803 ( -6.895 0.085 0.364) 6.905 14.961 ( -4.558 -2.306 0.628) 5.147 15.082 ( -0.566 0.075 -0.447) 0.725 15.404 ( -7.338 -2.094 2.664) 8.083 15.662 ( 3.445 -1.560 -5.890) 7.000 16.159 ( -4.512 -1.173 2.506) 5.292 ======================= Grid point 28 (21/168) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( -22.552 29.706 7.210) 37.987 3.772 ( -31.830 23.273 7.140) 40.072 4.985 ( -11.124 -1.271 4.602) 12.105 5.107 ( -10.692 9.124 -1.940) 14.190 5.429 ( -0.282 0.294 8.383) 8.393 5.499 ( -16.947 10.885 9.668) 22.342 5.893 ( 7.844 -2.063 7.846) 11.285 6.115 ( -4.309 2.261 -10.566) 11.633 6.157 ( -2.435 -18.308 -0.212) 18.470 6.218 ( -6.120 1.149 -13.893) 15.225 6.323 ( -6.168 -0.014 -8.613) 10.594 6.586 ( 3.705 -6.447 -13.067) 15.035 6.800 ( -9.778 1.096 9.704) 13.819 6.998 ( 5.643 8.110 -2.037) 10.087 7.083 ( -2.323 -10.047 -2.681) 10.655 7.511 ( 9.361 8.780 2.295) 13.038 7.729 ( 7.862 -6.293 -0.390) 10.077 8.037 ( -3.672 2.656 -4.888) 6.665 8.072 ( 1.658 13.459 7.624) 15.557 8.283 ( 0.112 0.844 -10.023) 10.059 8.525 ( -7.702 5.152 -3.097) 9.770 8.671 ( 17.373 -4.055 5.762) 18.747 8.962 ( -2.862 5.389 -2.403) 6.558 9.099 ( -1.652 7.872 -1.079) 8.116 9.306 ( -0.156 0.993 3.642) 3.778 9.740 ( -9.021 -3.224 0.281) 9.584 9.812 ( -3.523 0.953 2.847) 4.629 10.172 ( -9.972 4.752 3.778) 11.674 10.338 ( 1.138 -2.671 3.031) 4.197 10.432 ( -4.381 -3.091 -4.279) 6.859 10.535 ( 6.020 0.568 -0.845) 6.105 10.590 ( -7.381 -4.782 0.545) 8.812 10.793 ( -0.909 -6.397 1.984) 6.759 11.016 ( 2.740 -7.916 1.111) 8.451 11.168 ( 5.970 2.118 3.683) 7.327 11.264 ( 5.846 -7.364 2.105) 9.635 11.621 ( 4.371 -6.666 -3.633) 8.760 11.873 ( 3.362 -1.628 0.538) 3.774 12.082 ( -0.881 0.457 0.944) 1.370 12.230 ( 2.521 -0.952 -3.408) 4.345 12.289 ( 3.840 -1.726 0.735) 4.274 12.428 ( 2.643 -2.778 -1.366) 4.071 12.554 ( 0.752 -4.273 0.431) 4.360 12.662 ( 1.428 0.171 1.487) 2.069 12.820 ( 2.825 -2.167 -7.007) 7.860 12.983 ( 3.785 0.145 0.528) 3.824 13.083 ( 1.779 1.173 3.674) 4.247 13.176 ( 0.935 7.121 3.077) 7.813 13.341 ( 4.703 2.060 -4.517) 6.839 13.438 ( -0.434 4.051 2.596) 4.831 13.595 ( 2.313 -0.336 -4.120) 4.737 13.729 ( -3.505 2.959 5.362) 7.056 13.969 ( 4.823 7.460 -2.965) 9.365 14.138 ( -5.832 1.837 1.234) 6.238 14.678 ( -5.884 1.767 -0.116) 6.145 14.891 ( -4.944 -1.417 0.293) 5.151 15.062 ( -2.255 -1.832 0.050) 2.906 15.304 ( -6.710 -4.375 0.893) 8.060 15.756 ( 4.929 -1.946 -4.592) 7.013 16.092 ( -4.404 -2.271 3.207) 5.903 ======================= Grid point 29 (22/168) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -25.821 32.567 7.068) 42.158 3.049 ( -15.502 40.036 5.456) 43.278 4.705 ( -9.302 19.120 -20.930) 29.836 4.819 ( -8.343 20.527 17.314) 28.120 5.099 ( -16.832 15.621 7.504) 24.158 5.376 ( -5.725 3.201 12.456) 14.078 5.543 ( -28.387 32.318 5.613) 43.379 5.885 ( -16.994 20.743 -23.638) 35.746 5.926 ( -5.474 2.474 4.811) 7.697 6.255 ( 1.717 -6.479 -12.545) 14.223 6.463 ( -0.326 -19.692 -3.388) 19.984 6.624 ( -2.385 -1.744 11.254) 11.636 6.797 ( 6.136 -6.297 -6.218) 10.769 7.018 ( 3.741 1.962 -0.616) 4.269 7.208 ( 4.869 0.866 1.180) 5.084 7.474 ( -3.635 6.961 9.233) 12.121 7.842 ( -1.153 5.510 -3.297) 6.524 7.917 ( 0.620 1.734 7.338) 7.566 8.035 ( -4.500 -2.791 -6.189) 8.145 8.228 ( -11.700 0.258 -8.857) 14.677 8.430 ( 12.353 -10.531 -10.737) 19.462 8.883 ( 3.571 0.877 11.231) 11.818 8.962 ( 1.718 4.859 -8.764) 10.167 9.174 ( 12.284 -7.492 0.316) 14.392 9.358 ( 5.606 -3.472 3.260) 7.356 9.707 ( 0.301 -7.211 -1.705) 7.416 9.798 ( -0.230 -2.745 5.552) 6.198 10.003 ( -5.241 0.934 2.244) 5.777 10.310 ( -7.336 -5.375 -0.034) 9.094 10.388 ( -4.603 -4.215 -2.919) 6.890 10.471 ( -7.993 -6.276 2.024) 10.362 10.642 ( 3.017 0.468 2.783) 4.131 10.815 ( -1.667 -4.767 0.585) 5.084 11.140 ( 3.916 -2.095 3.856) 5.882 11.232 ( 4.864 3.599 0.611) 6.082 11.446 ( 5.785 -10.769 2.220) 12.424 11.822 ( 9.505 -9.669 -3.945) 14.121 11.965 ( 4.535 -2.309 1.350) 5.265 12.096 ( 1.328 -1.374 -1.994) 2.762 12.275 ( 1.865 0.440 -2.056) 2.811 12.368 ( 2.645 -3.560 -1.502) 4.683 12.502 ( 0.482 -4.274 0.618) 4.346 12.609 ( 1.128 -4.795 -0.448) 4.947 12.684 ( 0.948 -0.377 2.100) 2.335 12.905 ( 3.589 -3.144 -3.440) 5.882 12.978 ( -2.081 3.984 0.905) 4.584 13.074 ( -0.634 2.981 3.154) 4.386 13.164 ( 3.766 4.791 -0.700) 6.134 13.363 ( -0.395 1.185 0.746) 1.455 13.428 ( 3.449 4.066 0.154) 5.335 13.539 ( -6.529 1.499 -1.785) 6.933 13.658 ( -0.962 2.809 0.734) 3.058 13.954 ( -0.418 4.107 -0.918) 4.229 14.104 ( 3.654 4.638 -0.301) 5.912 14.562 ( -4.103 3.668 -0.614) 5.538 14.816 ( -3.076 0.569 0.618) 3.189 15.041 ( -2.374 -3.249 0.290) 4.034 15.239 ( -5.258 -5.279 0.357) 7.460 15.857 ( 4.038 -1.756 -3.021) 5.340 16.046 ( -3.100 -2.816 2.645) 4.953 ======================= Grid point 30 (23/168) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -19.972 38.263 3.472) 43.301 2.530 ( 4.758 54.855 5.328) 55.318 4.129 ( -38.216 63.456 -5.117) 74.252 4.397 ( -1.201 26.424 -23.651) 35.483 4.514 ( -3.925 28.463 19.180) 34.546 4.968 ( -12.587 29.743 26.268) 41.630 5.165 ( -12.157 16.117 -1.980) 20.285 5.286 ( -18.553 24.466 -15.830) 34.545 5.848 ( -1.088 -4.882 3.940) 6.368 6.365 ( 2.516 -6.064 -5.490) 8.558 6.467 ( -5.024 15.859 -2.038) 16.761 6.555 ( -4.635 0.690 1.596) 4.950 6.861 ( 4.466 -6.548 -4.308) 9.022 7.074 ( -3.836 11.178 20.872) 23.986 7.273 ( 8.231 -15.132 -20.591) 26.846 7.534 ( 1.779 -19.482 9.541) 21.766 7.657 ( -9.603 7.924 -9.277) 15.527 7.952 ( -2.447 -12.704 9.486) 16.043 8.019 ( 4.384 -2.181 0.081) 4.897 8.231 ( -3.085 -14.443 -11.463) 18.695 8.763 ( 11.156 -7.436 -6.522) 14.909 8.887 ( 0.466 2.108 7.185) 7.502 8.985 ( 2.277 -3.051 -2.611) 4.617 9.432 ( 8.900 -6.037 3.037) 11.175 9.554 ( 7.972 -4.641 0.226) 9.227 9.800 ( -0.402 1.707 2.942) 3.425 9.821 ( 2.719 -6.025 -0.638) 6.641 9.991 ( 1.762 -5.168 1.043) 5.559 10.223 ( -6.027 -6.630 -4.398) 9.981 10.348 ( -2.795 -3.260 0.435) 4.316 10.410 ( -5.625 -8.227 1.050) 10.022 10.641 ( -3.723 -4.159 3.656) 6.673 10.824 ( 0.639 1.688 0.022) 1.805 11.169 ( 2.107 5.960 3.651) 7.300 11.284 ( 1.054 -0.819 0.148) 1.343 11.676 ( 6.578 -14.655 2.618) 16.275 12.059 ( 3.186 -4.892 0.539) 5.863 12.105 ( 10.708 -5.968 -3.442) 12.733 12.131 ( 0.498 -2.755 -3.538) 4.512 12.294 ( 2.015 0.654 -0.528) 2.183 12.430 ( 0.408 -2.518 -2.222) 3.383 12.510 ( -4.512 -7.003 1.349) 8.439 12.660 ( -0.343 -4.307 0.015) 4.321 12.710 ( 0.918 -1.504 1.471) 2.295 12.879 ( -3.040 3.674 1.141) 4.903 12.991 ( 2.972 0.431 0.451) 3.036 13.022 ( -1.401 3.817 0.314) 4.078 13.214 ( 4.271 0.763 -1.506) 4.592 13.352 ( 0.611 2.847 1.826) 3.437 13.399 ( -4.814 2.224 0.736) 5.354 13.467 ( 2.549 1.311 -1.927) 3.454 13.605 ( -2.703 1.919 -0.354) 3.334 13.950 ( 1.977 -0.605 0.017) 2.067 14.092 ( 0.255 7.167 -1.447) 7.316 14.469 ( -1.908 4.842 -0.518) 5.230 14.789 ( 1.155 2.079 0.675) 2.472 15.035 ( -1.473 -3.358 0.173) 3.671 15.205 ( -3.478 -5.128 0.416) 6.211 15.922 ( 1.473 -1.892 -1.250) 2.705 16.036 ( -0.724 -2.503 1.067) 2.816 ======================= Grid point 31 (24/168) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 43.523 -0.000) 43.523 2.170 ( 0.000 58.272 -0.000) 58.272 2.980 ( 0.000 80.649 -0.000) 80.649 4.202 ( 0.000 25.408 -0.000) 25.408 4.228 ( 0.000 27.010 -0.000) 27.010 4.526 ( 0.000 40.175 -0.000) 40.175 4.605 ( 0.000 39.045 -0.000) 39.045 5.041 ( 0.000 12.863 -0.000) 12.863 5.951 ( -0.000 -14.009 0.000) 14.009 6.073 ( 0.000 35.242 -0.000) 35.242 6.527 ( -0.000 -7.774 0.000) 7.774 6.561 ( -0.000 -11.266 0.000) 11.266 6.928 ( 0.000 4.755 -0.000) 4.755 7.018 ( -0.000 -6.103 0.000) 6.103 7.389 ( 0.000 7.295 -0.000) 7.295 7.571 ( -0.000 -9.191 0.000) 9.191 7.788 ( -0.000 -29.550 0.000) 29.550 8.045 ( -0.000 -11.923 0.000) 11.923 8.069 ( -0.000 -2.044 0.000) 2.044 8.357 ( -0.000 -21.239 0.000) 21.239 8.831 ( 0.000 3.485 -0.000) 3.485 8.954 ( -0.000 -3.257 0.000) 3.257 9.047 ( -0.000 -5.095 0.000) 5.095 9.607 ( -0.000 -3.832 0.000) 3.832 9.622 ( -0.000 -1.636 0.000) 1.636 9.766 ( 0.000 4.594 -0.000) 4.594 9.871 ( -0.000 -1.793 0.000) 1.793 10.089 ( -0.000 -7.540 0.000) 7.540 10.208 ( -0.000 -1.457 0.000) 1.457 10.401 ( -0.000 -8.367 0.000) 8.367 10.409 ( -0.000 -8.100 0.000) 8.100 10.643 ( -0.000 -4.635 0.000) 4.635 10.795 ( 0.000 5.120 -0.000) 5.120 11.134 ( 0.000 6.054 -0.000) 6.054 11.290 ( -0.000 -1.121 0.000) 1.121 11.888 ( -0.000 -14.503 0.000) 14.503 12.109 ( -0.000 -1.303 0.000) 1.303 12.166 ( -0.000 -2.974 0.000) 2.974 12.204 ( 0.000 1.482 -0.000) 1.482 12.405 ( -0.000 -1.836 0.000) 1.836 12.417 ( 0.000 1.473 -0.000) 1.473 12.520 ( -0.000 -15.821 0.000) 15.821 12.693 ( -0.000 -4.416 0.000) 4.416 12.738 ( -0.000 -2.626 0.000) 2.626 12.820 ( 0.000 3.094 -0.000) 3.094 12.961 ( 0.000 4.772 -0.000) 4.772 13.014 ( 0.000 1.482 -0.000) 1.482 13.294 ( -0.000 -4.208 0.000) 4.208 13.297 ( 0.000 3.811 -0.000) 3.811 13.326 ( 0.000 4.860 -0.000) 4.860 13.530 ( 0.000 0.962 -0.000) 0.962 13.534 ( -0.000 -0.710 0.000) 0.710 13.988 ( 0.000 11.597 -0.000) 11.597 14.026 ( -0.000 -6.294 0.000) 6.294 14.407 ( 0.000 5.117 -0.000) 5.117 14.791 ( 0.000 2.288 -0.000) 2.288 15.049 ( -0.000 -2.818 0.000) 2.818 15.214 ( -0.000 -4.645 0.000) 4.645 15.953 ( -0.000 -2.362 0.000) 2.362 16.051 ( -0.000 -1.768 0.000) 1.768 ======================= Grid point 36 (25/168) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.917 ( 30.247 0.000 13.435) 33.096 4.943 ( -7.190 -0.000 0.361) 7.199 5.121 ( 13.467 0.000 0.597) 13.480 5.180 ( -10.543 -0.000 12.791) 16.576 5.411 ( -29.073 -0.000 5.932) 29.672 5.596 ( -30.124 -0.000 7.982) 31.164 5.851 ( -5.032 -0.000 -4.795) 6.951 6.039 ( 5.262 0.000 -10.628) 11.859 6.249 ( -1.281 -0.000 -11.423) 11.495 6.276 ( 13.883 0.000 7.774) 15.911 6.375 ( 3.508 0.000 5.197) 6.270 6.493 ( -15.228 -0.000 -0.460) 15.235 6.902 ( -17.538 -0.000 -37.163) 41.093 7.012 ( -4.682 -0.000 -5.239) 7.026 7.409 ( -16.672 -0.000 5.592) 17.585 7.410 ( -0.975 -0.000 -17.328) 17.355 7.662 ( 2.164 0.000 7.454) 7.762 7.809 ( 32.026 0.000 -0.449) 32.029 8.020 ( -3.415 -0.000 2.308) 4.122 8.087 ( 3.442 0.000 1.390) 3.712 8.163 ( 4.541 0.000 10.804) 11.720 8.607 ( 14.282 0.000 -3.388) 14.678 8.998 ( 10.766 0.000 5.287) 11.994 9.266 ( 12.910 0.000 10.897) 16.894 9.454 ( -6.763 -0.000 3.538) 7.632 9.889 ( 10.260 0.000 -5.819) 11.795 10.232 ( -2.145 -0.000 4.295) 4.800 10.269 ( 0.670 0.000 1.292) 1.455 10.270 ( 9.301 0.000 5.717) 10.917 10.394 ( 1.620 0.000 -1.484) 2.197 10.568 ( -3.636 -0.000 -0.505) 3.670 10.590 ( -1.983 -0.000 -6.634) 6.924 10.865 ( -5.652 -0.000 -4.203) 7.043 10.909 ( 1.785 0.000 -0.392) 1.828 10.998 ( -0.736 -0.000 4.771) 4.827 11.019 ( -13.006 -0.000 -1.004) 13.045 11.546 ( -5.410 -0.000 -0.796) 5.468 11.865 ( -1.254 -0.000 -3.550) 3.765 12.102 ( 0.536 0.000 1.507) 1.600 12.194 ( -0.211 -0.000 -1.259) 1.277 12.285 ( 1.966 0.000 2.727) 3.362 12.332 ( -8.413 -0.000 3.252) 9.020 12.476 ( -1.261 -0.000 -2.327) 2.647 12.619 ( 0.689 0.000 1.396) 1.557 12.786 ( 4.259 0.000 1.697) 4.585 12.790 ( -1.273 -0.000 -11.976) 12.043 12.924 ( 3.739 0.000 3.372) 5.035 13.218 ( 8.648 0.000 -0.387) 8.656 13.269 ( 2.821 0.000 -6.721) 7.289 13.320 ( 0.986 0.000 6.439) 6.514 13.425 ( 4.240 0.000 -0.642) 4.288 13.766 ( 4.642 0.000 4.032) 6.149 13.970 ( 3.674 0.000 3.465) 5.051 14.317 ( 0.680 0.000 -3.472) 3.538 14.925 ( -6.361 -0.000 -0.214) 6.365 14.996 ( -2.831 -0.000 1.652) 3.278 15.083 ( 1.932 0.000 -0.664) 2.043 15.522 ( -7.022 -0.000 4.889) 8.556 15.614 ( -0.050 -0.000 -6.278) 6.278 16.225 ( -3.626 -0.000 0.934) 3.744 ======================= Grid point 37 (26/168) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( -12.647 24.265 10.130) 29.178 4.813 ( -28.237 12.801 9.549) 32.440 5.042 ( -17.722 -15.228 19.423) 30.384 5.112 ( -12.067 -13.335 2.324) 18.133 5.323 ( 8.583 2.817 5.470) 10.560 5.433 ( 11.970 -8.285 7.854) 16.541 5.836 ( 3.669 1.475 -0.057) 3.955 5.958 ( -11.906 -0.350 -16.049) 19.986 6.241 ( 2.721 0.697 -4.148) 5.010 6.292 ( -3.640 1.916 -13.911) 14.507 6.468 ( 3.268 0.473 4.609) 5.669 6.552 ( -4.324 -0.328 -18.997) 19.486 6.622 ( -0.684 -7.421 -12.655) 14.686 6.859 ( -10.617 -4.368 -2.210) 11.691 7.187 ( -3.126 4.136 -2.098) 5.593 7.443 ( 4.294 -3.929 -3.387) 6.734 7.758 ( 4.597 10.854 2.826) 12.121 8.016 ( 9.027 1.047 -0.575) 9.106 8.108 ( -2.021 -9.865 0.582) 10.087 8.205 ( 9.734 -0.948 3.573) 10.413 8.369 ( 16.821 3.612 2.320) 17.360 8.713 ( -1.026 3.602 2.343) 4.418 9.171 ( 6.292 1.716 3.938) 7.618 9.274 ( -3.560 3.095 -0.178) 4.721 9.465 ( 2.289 4.327 5.948) 7.703 9.874 ( -8.652 -0.736 5.196) 10.119 10.128 ( -8.975 10.004 -2.783) 13.725 10.282 ( -5.923 -5.828 -4.462) 9.432 10.395 ( 13.797 1.059 -0.413) 13.844 10.447 ( -0.753 1.649 6.819) 7.056 10.495 ( -4.765 2.408 -1.999) 5.701 10.568 ( -4.312 -5.019 -2.293) 7.003 10.761 ( -12.436 0.549 0.840) 12.476 10.799 ( -2.199 -4.522 -1.753) 5.325 10.982 ( 5.680 -2.630 -2.331) 6.679 11.050 ( 6.016 -2.197 6.249) 8.948 11.474 ( -3.394 -3.037 -0.367) 4.569 11.847 ( 0.373 1.481 -2.420) 2.862 12.135 ( 1.782 -0.439 2.207) 2.870 12.203 ( -3.177 0.091 -1.883) 3.694 12.205 ( 1.219 1.332 0.975) 2.052 12.335 ( 1.427 -2.558 3.126) 4.284 12.466 ( -0.002 -0.740 -2.234) 2.354 12.641 ( 1.691 0.197 1.909) 2.557 12.774 ( -0.032 -0.149 -12.278) 12.279 12.882 ( 6.186 0.272 0.644) 6.225 13.023 ( 6.061 -0.090 4.259) 7.408 13.296 ( 1.746 3.203 -0.206) 3.654 13.331 ( 2.005 1.435 0.633) 2.545 13.403 ( 8.351 -2.919 -1.523) 8.976 13.504 ( 4.402 1.214 0.185) 4.570 13.809 ( 0.437 1.071 5.179) 5.307 14.030 ( 3.227 1.437 -0.230) 3.540 14.283 ( -4.261 0.307 -1.674) 4.589 14.806 ( -5.890 0.183 -0.256) 5.898 14.926 ( -5.034 -1.272 1.147) 5.318 15.088 ( -1.426 0.312 -0.505) 1.544 15.377 ( -8.842 -0.883 3.497) 9.549 15.643 ( 3.180 -0.567 -6.733) 7.468 16.145 ( -5.096 -0.386 2.707) 5.783 ======================= Grid point 38 (27/168) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( -22.524 26.641 14.258) 37.688 4.235 ( -12.325 29.831 7.628) 33.166 4.836 ( -13.007 -13.671 13.491) 23.196 5.188 ( 0.469 -5.040 -5.945) 7.808 5.427 ( 4.074 -0.364 12.651) 13.296 5.636 ( 2.172 -10.447 4.619) 11.628 5.738 ( -8.862 -0.939 -7.876) 11.893 5.918 ( 3.705 1.100 12.614) 13.193 6.133 ( -9.380 2.191 -15.372) 18.141 6.260 ( -7.072 -0.636 -17.877) 19.235 6.356 ( 2.060 3.459 -6.361) 7.528 6.527 ( -1.280 -2.595 -17.576) 17.813 6.757 ( 2.041 -5.197 9.784) 11.265 6.839 ( -1.843 -11.379 -6.868) 13.418 7.191 ( 7.452 7.799 -3.314) 11.284 7.602 ( 8.328 -4.222 2.154) 9.582 7.735 ( 9.765 12.695 1.974) 16.137 8.085 ( -8.399 0.440 -5.263) 9.922 8.239 ( 9.468 4.155 2.700) 10.687 8.296 ( 2.106 0.246 -0.404) 2.159 8.579 ( -5.107 0.679 8.450) 9.897 8.635 ( 13.713 1.799 -3.339) 14.228 9.104 ( -5.185 9.487 0.232) 10.814 9.235 ( -1.818 4.907 -1.078) 5.343 9.352 ( -6.772 4.678 3.137) 8.809 9.682 ( -13.176 -3.144 3.052) 13.885 9.878 ( -7.961 6.695 1.139) 10.464 10.230 ( -7.395 -7.810 -0.553) 10.769 10.268 ( -11.442 3.725 4.262) 12.765 10.369 ( -7.953 -1.702 -1.771) 8.324 10.466 ( -9.642 -6.074 -2.687) 11.708 10.563 ( 1.008 -2.800 0.884) 3.105 10.687 ( 1.496 -3.512 -0.589) 3.863 10.882 ( 5.912 -5.939 1.340) 8.486 11.140 ( 6.865 -4.575 -0.589) 8.271 11.215 ( 9.369 0.931 4.497) 10.434 11.490 ( 0.647 -6.670 -0.351) 6.710 11.861 ( 1.984 -0.152 -0.916) 2.191 12.112 ( -0.304 2.706 0.653) 2.800 12.225 ( 2.438 -0.425 -0.059) 2.476 12.259 ( 3.976 -0.843 -1.491) 4.330 12.372 ( 0.286 -3.578 1.307) 3.820 12.490 ( 0.775 -2.559 -1.159) 2.914 12.671 ( 1.635 0.552 2.017) 2.654 12.796 ( 2.503 -0.792 -8.899) 9.278 12.988 ( 5.127 0.294 0.636) 5.175 13.119 ( 4.736 2.329 2.972) 6.057 13.275 ( 0.125 3.999 4.208) 5.806 13.363 ( 1.570 0.494 -2.955) 3.382 13.503 ( 2.057 2.524 -1.351) 3.525 13.579 ( 3.559 -0.736 -2.360) 4.334 13.765 ( -4.248 1.218 5.884) 7.359 14.074 ( 4.930 4.244 -1.918) 6.782 14.165 ( -6.731 1.114 0.297) 6.829 14.714 ( -3.454 2.071 -0.568) 4.067 14.859 ( -3.693 -2.070 0.103) 4.235 15.039 ( -3.654 -0.785 0.205) 3.743 15.236 ( -8.211 -3.002 1.105) 8.812 15.728 ( 5.168 -1.147 -5.102) 7.353 16.060 ( -4.837 -1.254 3.658) 6.193 ======================= Grid point 39 (28/168) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( -21.178 31.737 10.322) 39.526 3.800 ( -0.460 43.270 7.991) 44.004 4.814 ( -3.336 -12.180 10.190) 16.227 5.110 ( -0.339 18.935 -17.691) 25.916 5.370 ( -9.307 13.142 11.787) 19.957 5.521 ( 3.010 14.583 15.237) 21.305 5.896 ( -2.923 -11.086 3.343) 11.943 5.943 ( -3.139 -3.765 8.590) 9.891 6.049 ( -2.386 -8.371 -14.896) 17.252 6.121 ( -2.341 1.566 -18.972) 19.180 6.258 ( -7.884 11.088 -9.185) 16.415 6.560 ( 0.878 -6.556 -9.670) 11.716 6.691 ( -4.760 2.503 -2.000) 5.738 6.960 ( 0.760 -10.551 -0.032) 10.579 7.279 ( 11.486 9.174 9.072) 17.274 7.755 ( 4.457 7.010 2.491) 8.673 7.820 ( 2.042 10.737 7.420) 13.210 7.943 ( -1.010 -3.405 -9.788) 10.412 8.171 ( -3.017 10.364 10.091) 14.776 8.264 ( -6.443 -1.644 -7.842) 10.281 8.400 ( -7.699 13.287 -9.726) 18.177 8.910 ( 3.208 2.933 8.334) 9.400 8.993 ( 9.768 -4.110 -4.603) 11.554 9.088 ( -3.877 1.399 -3.891) 5.668 9.299 ( 0.300 -3.045 4.159) 5.163 9.560 ( -4.286 -8.993 -2.036) 10.168 9.753 ( -3.542 -1.804 5.758) 6.997 10.025 ( -8.855 1.646 2.016) 9.230 10.166 ( -11.903 -10.884 2.135) 16.270 10.268 ( -6.347 -6.541 -4.764) 10.284 10.366 ( -8.451 -7.831 0.344) 11.526 10.547 ( -7.553 -10.145 4.559) 13.445 10.774 ( 5.112 -0.336 -1.046) 5.229 11.064 ( 7.802 -4.197 0.499) 8.873 11.281 ( 3.294 -6.385 1.256) 7.294 11.336 ( 6.625 5.529 2.908) 9.106 11.621 ( 4.756 -11.871 -2.246) 12.984 11.921 ( 3.029 -2.748 0.036) 4.091 12.113 ( 2.693 2.715 -0.208) 3.829 12.264 ( 1.743 -1.176 -3.797) 4.340 12.322 ( 1.183 -1.468 1.373) 2.332 12.432 ( 1.806 -3.791 0.851) 4.285 12.528 ( 0.430 -4.081 -1.107) 4.250 12.689 ( 0.948 0.652 2.203) 2.486 12.869 ( 4.325 -1.144 -3.554) 5.714 13.041 ( 1.703 2.835 1.151) 3.502 13.136 ( 0.289 4.103 -0.709) 4.174 13.248 ( 1.029 3.956 1.438) 4.333 13.373 ( 0.489 0.093 2.093) 2.151 13.501 ( 1.533 3.539 -2.883) 4.815 13.562 ( -5.323 1.505 -0.530) 5.557 13.685 ( -2.573 0.346 1.535) 3.016 13.998 ( -6.310 1.539 0.348) 6.504 14.188 ( 7.296 4.144 -0.833) 8.432 14.633 ( -2.320 4.311 -0.925) 4.982 14.823 ( -1.375 0.009 0.193) 1.389 14.988 ( -3.243 -2.642 0.630) 4.230 15.144 ( -5.905 -5.181 -0.104) 7.857 15.830 ( 4.558 -1.170 -3.156) 5.666 16.001 ( -3.316 -2.157 3.135) 5.047 ======================= Grid point 40 (29/168) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -13.774 38.251 5.103) 40.975 3.469 ( 9.159 50.631 6.320) 51.839 4.846 ( 2.778 16.256 -8.854) 18.718 4.941 ( 1.950 16.240 -4.957) 17.092 5.055 ( -6.646 24.812 10.801) 27.865 5.306 ( -18.722 30.440 3.453) 35.903 5.484 ( -4.747 28.224 20.176) 35.017 5.780 ( -14.142 22.865 -23.495) 35.705 5.869 ( -3.795 4.983 4.443) 7.679 6.212 ( 1.633 -8.077 -12.753) 15.183 6.295 ( -0.725 -15.730 -0.307) 15.750 6.568 ( 1.824 -13.722 5.399) 14.858 6.885 ( 12.286 -12.532 -13.560) 22.178 7.022 ( 0.885 0.242 1.197) 1.508 7.384 ( -0.154 18.172 12.878) 22.273 7.419 ( -11.671 11.762 5.276) 17.390 7.811 ( -5.784 -0.655 7.459) 9.462 7.856 ( -6.219 5.211 -0.887) 8.162 7.928 ( -6.633 4.764 -6.821) 10.641 8.163 ( 3.312 4.389 -8.047) 9.746 8.554 ( 13.555 -14.813 -5.898) 20.928 8.918 ( -0.185 0.222 7.439) 7.445 8.954 ( -4.424 -0.195 -5.096) 6.751 9.304 ( 8.795 -7.921 -1.339) 11.911 9.427 ( 4.355 -9.171 2.354) 10.422 9.669 ( 5.662 -10.536 -2.026) 12.132 9.772 ( 1.230 -5.003 5.322) 7.407 9.914 ( -5.192 -3.571 -0.534) 6.324 10.060 ( -7.556 -10.963 0.577) 13.327 10.236 ( -5.722 -9.467 -5.398) 12.309 10.290 ( -6.375 -6.147 2.887) 9.314 10.498 ( -7.417 -11.148 4.505) 14.128 10.851 ( 3.022 0.674 0.392) 3.121 11.204 ( 3.925 -1.033 0.476) 4.087 11.363 ( 3.127 7.860 2.090) 8.714 11.403 ( 1.710 -13.799 0.898) 13.934 11.853 ( 6.264 -15.907 -3.105) 17.376 12.003 ( 1.993 -4.477 -0.711) 4.952 12.150 ( 4.103 2.287 0.178) 4.701 12.314 ( 2.045 -0.185 -2.431) 3.182 12.330 ( -2.666 -4.718 -0.452) 5.438 12.457 ( -1.439 -1.254 1.645) 2.519 12.583 ( 0.813 -4.696 -0.305) 4.776 12.699 ( 0.697 0.247 1.268) 1.468 12.930 ( 0.374 1.666 2.113) 2.717 13.015 ( 1.356 3.311 -2.366) 4.290 13.097 ( -0.110 4.104 0.241) 4.113 13.243 ( 1.268 2.069 -0.667) 2.517 13.392 ( 1.943 1.565 2.645) 3.636 13.435 ( -5.446 1.330 -0.810) 5.664 13.503 ( 1.875 2.843 -0.759) 3.489 13.633 ( -3.178 1.166 -0.647) 3.447 13.912 ( -3.028 -2.069 0.289) 3.679 14.238 ( 3.258 7.749 -0.945) 8.459 14.558 ( -1.207 5.095 -0.674) 5.279 14.819 ( 1.526 1.252 0.584) 2.058 14.972 ( -1.556 -3.590 0.338) 3.928 15.107 ( -3.708 -5.826 -0.109) 6.906 15.895 ( 1.323 -1.084 -0.895) 1.930 15.989 ( -0.412 -2.722 1.059) 2.950 ======================= Grid point 41 (30/168) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 0.000 42.113 -0.000) 42.113 3.150 ( 0.000 52.432 -0.000) 52.432 4.343 ( 0.000 72.949 -0.000) 72.949 4.676 ( 0.000 26.714 -0.000) 26.714 4.742 ( 0.000 29.926 -0.000) 29.926 5.145 ( -0.000 -4.963 0.000) 4.963 5.245 ( 0.000 38.881 -0.000) 38.881 5.269 ( 0.000 33.387 -0.000) 33.387 5.802 ( 0.000 0.263 -0.000) 0.263 6.332 ( -0.000 -10.746 0.000) 10.746 6.362 ( -0.000 -10.483 0.000) 10.483 6.777 ( 0.000 39.272 -0.000) 39.272 6.791 ( -0.000 -19.774 0.000) 19.774 7.112 ( 0.000 13.526 -0.000) 13.526 7.295 ( -0.000 -21.726 0.000) 21.726 7.302 ( -0.000 -13.977 0.000) 13.977 7.610 ( 0.000 15.401 -0.000) 15.401 7.870 ( -0.000 -9.484 0.000) 9.484 7.994 ( -0.000 -17.043 0.000) 17.043 8.143 ( 0.000 7.340 -0.000) 7.340 8.834 ( -0.000 -10.571 0.000) 10.571 8.867 ( 0.000 0.323 -0.000) 0.323 8.968 ( -0.000 -3.941 0.000) 3.941 9.469 ( -0.000 -10.473 0.000) 10.473 9.538 ( -0.000 -7.512 0.000) 7.512 9.807 ( -0.000 -1.189 0.000) 1.189 9.815 ( -0.000 -2.993 0.000) 2.993 9.924 ( -0.000 -11.482 0.000) 11.482 10.138 ( -0.000 -6.377 0.000) 6.377 10.217 ( -0.000 -13.893 0.000) 13.893 10.286 ( -0.000 -4.616 0.000) 4.616 10.517 ( -0.000 -9.533 0.000) 9.533 10.865 ( 0.000 2.274 -0.000) 2.274 11.226 ( 0.000 2.262 -0.000) 2.262 11.323 ( 0.000 6.622 -0.000) 6.622 11.579 ( -0.000 -18.962 0.000) 18.962 12.055 ( -0.000 -4.109 0.000) 4.109 12.058 ( -0.000 -12.659 0.000) 12.659 12.245 ( 0.000 2.239 -0.000) 2.239 12.272 ( -0.000 -7.888 0.000) 7.888 12.360 ( -0.000 -2.979 0.000) 2.979 12.436 ( 0.000 0.429 -0.000) 0.429 12.629 ( -0.000 -3.761 0.000) 3.761 12.708 ( -0.000 -0.564 0.000) 0.564 12.884 ( 0.000 4.167 -0.000) 4.167 13.030 ( 0.000 0.605 -0.000) 0.605 13.053 ( 0.000 5.308 -0.000) 5.308 13.254 ( -0.000 -0.420 0.000) 0.420 13.361 ( 0.000 2.824 -0.000) 2.824 13.393 ( 0.000 2.737 -0.000) 2.737 13.534 ( 0.000 0.625 -0.000) 0.625 13.557 ( 0.000 2.174 -0.000) 2.174 13.922 ( -0.000 -5.055 0.000) 5.055 14.181 ( 0.000 10.120 -0.000) 10.120 14.501 ( 0.000 5.352 -0.000) 5.352 14.828 ( 0.000 1.712 -0.000) 1.712 14.992 ( -0.000 -3.568 0.000) 3.568 15.120 ( -0.000 -5.789 0.000) 5.789 15.915 ( -0.000 -1.771 0.000) 1.771 16.013 ( -0.000 -2.450 0.000) 2.450 ======================= Grid point 48 (31/168) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.481 ( -22.899 -0.000 22.795) 32.311 4.542 ( -14.050 -0.000 7.703) 16.023 4.767 ( 0.862 0.000 11.842) 11.873 4.862 ( -1.893 -0.000 4.543) 4.921 5.463 ( 1.874 0.000 2.609) 3.212 5.490 ( 6.254 0.000 3.076) 6.969 5.774 ( -6.255 -0.000 -18.933) 19.940 5.936 ( 2.807 0.000 9.004) 9.432 6.207 ( -7.072 -0.000 0.999) 7.142 6.241 ( -3.074 -0.000 -23.079) 23.283 6.413 ( -10.612 -0.000 6.001) 12.191 6.458 ( -0.233 -0.000 -34.984) 34.985 6.710 ( -0.855 -0.000 0.048) 0.857 6.717 ( 8.671 0.000 4.776) 9.900 7.261 ( 10.389 0.000 -5.857) 11.926 7.555 ( 8.329 0.000 3.699) 9.113 7.953 ( 5.501 0.000 -4.773) 7.283 7.993 ( -0.650 -0.000 2.063) 2.162 8.253 ( 15.298 0.000 -0.402) 15.303 8.309 ( 1.501 0.000 4.314) 4.568 8.603 ( -10.632 -0.000 8.986) 13.921 8.655 ( 12.922 0.000 -3.528) 13.395 9.222 ( -2.134 -0.000 3.721) 4.290 9.249 ( -1.063 -0.000 -5.621) 5.721 9.418 ( -10.619 -0.000 4.429) 11.505 9.647 ( -14.940 -0.000 6.190) 16.171 10.024 ( -12.633 -0.000 -5.326) 13.710 10.056 ( -7.261 -0.000 4.583) 8.586 10.346 ( -10.957 -0.000 5.720) 12.360 10.371 ( -11.068 -0.000 -2.510) 11.349 10.375 ( -11.985 -0.000 -6.068) 13.434 10.499 ( -8.246 -0.000 3.215) 8.851 10.668 ( 5.789 0.000 -3.097) 6.566 10.832 ( 9.528 0.000 0.884) 9.569 11.096 ( 7.582 0.000 -0.569) 7.603 11.218 ( 10.041 0.000 1.445) 10.144 11.429 ( 0.414 0.000 3.918) 3.939 11.860 ( 0.569 0.000 -1.627) 1.724 12.154 ( -0.494 -0.000 -0.827) 0.963 12.196 ( 3.787 0.000 1.171) 3.964 12.276 ( 4.647 0.000 -1.998) 5.058 12.324 ( -1.382 -0.000 3.183) 3.470 12.468 ( 0.500 0.000 -1.500) 1.582 12.676 ( 1.792 0.000 2.170) 2.814 12.788 ( 2.338 0.000 -9.545) 9.827 12.991 ( 5.570 0.000 0.750) 5.620 13.143 ( 6.026 0.000 2.743) 6.621 13.314 ( -0.773 -0.000 4.147) 4.219 13.364 ( 0.914 0.000 -2.312) 2.486 13.517 ( 3.893 0.000 -3.549) 5.268 13.580 ( 3.272 0.000 -0.992) 3.419 13.775 ( -4.692 -0.000 6.318) 7.870 14.113 ( 5.495 0.000 -1.657) 5.740 14.175 ( -7.713 -0.000 -0.046) 7.713 14.737 ( -1.926 -0.000 -0.942) 2.144 14.835 ( -3.477 -0.000 0.138) 3.480 15.032 ( -4.349 -0.000 0.248) 4.356 15.208 ( -8.892 -0.000 1.331) 8.991 15.718 ( 5.266 0.000 -5.371) 7.521 16.049 ( -5.013 -0.000 3.862) 6.328 ======================= Grid point 50 (32/168) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( -16.105 26.684 13.637) 34.020 4.492 ( -5.821 -19.498 9.470) 22.444 4.544 ( 4.248 38.816 9.962) 40.298 5.187 ( 9.098 -28.117 7.319) 30.445 5.463 ( 1.322 11.920 -8.080) 14.461 5.600 ( 3.005 -4.067 5.390) 7.390 5.742 ( 3.415 -2.286 -7.202) 8.292 5.949 ( -0.118 1.924 8.377) 8.595 6.006 ( -7.174 10.822 -3.582) 13.469 6.165 ( -3.069 -0.261 -15.418) 15.722 6.317 ( -4.143 -7.344 -1.074) 8.501 6.476 ( 2.059 -1.551 -23.730) 23.869 6.782 ( -0.973 3.599 -0.168) 3.732 6.790 ( 6.169 -5.190 1.078) 8.133 7.484 ( 11.197 10.109 3.069) 15.394 7.713 ( 6.126 -2.563 4.542) 8.046 7.907 ( -8.566 0.815 -9.548) 12.853 8.000 ( 5.114 -3.082 -3.267) 6.806 8.260 ( -3.694 10.979 4.003) 12.256 8.399 ( -3.129 4.476 9.756) 11.181 8.579 ( 11.515 4.568 -0.662) 12.406 8.875 ( 10.988 -3.287 -5.162) 12.578 9.059 ( -9.300 8.547 4.282) 13.337 9.146 ( -13.698 2.937 1.778) 14.122 9.244 ( -2.078 -2.557 -2.846) 4.353 9.403 ( -11.585 -7.726 0.541) 13.935 9.762 ( -10.547 2.887 1.340) 11.017 9.977 ( -10.397 -8.666 7.562) 15.504 10.077 ( -12.804 4.315 1.256) 13.570 10.182 ( -9.523 -3.365 -6.562) 12.044 10.198 ( -10.791 -8.276 -2.304) 13.793 10.368 ( -9.812 -7.816 4.323) 13.269 10.770 ( 5.269 -0.168 -0.726) 5.322 11.029 ( 9.736 0.076 0.275) 9.741 11.218 ( 4.337 -1.386 0.992) 4.660 11.364 ( 5.635 -3.195 -9.317) 11.348 11.489 ( 3.979 -1.071 11.487) 12.204 11.881 ( 1.427 -1.376 -0.902) 2.178 12.162 ( 2.383 2.151 -1.397) 3.501 12.251 ( -0.093 -0.547 -1.260) 1.377 12.301 ( 1.197 -0.677 2.453) 2.813 12.378 ( 4.519 -1.894 -0.953) 4.992 12.477 ( -0.225 -1.495 -0.452) 1.578 12.700 ( 0.949 0.435 1.931) 2.195 12.856 ( 4.848 -0.377 -3.832) 6.191 13.076 ( 3.961 1.037 1.324) 4.303 13.199 ( 0.206 2.304 -3.033) 3.814 13.295 ( -0.532 1.353 1.802) 2.316 13.372 ( 1.168 -0.110 3.515) 3.706 13.527 ( -2.105 0.032 -5.276) 5.681 13.611 ( -0.451 3.255 0.234) 3.294 13.672 ( -4.539 -1.634 3.091) 5.730 14.016 ( -8.580 0.526 0.426) 8.607 14.238 ( 8.335 1.408 -0.715) 8.483 14.704 ( -0.994 3.051 -1.134) 3.403 14.813 ( 0.050 -1.010 -0.350) 1.070 14.954 ( -4.089 -1.000 0.867) 4.298 15.072 ( -6.827 -2.407 -0.121) 7.240 15.816 ( 5.071 -0.394 -3.449) 6.146 15.974 ( -3.628 -0.800 3.611) 5.180 ======================= Grid point 51 (33/168) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -9.756 34.888 6.660) 36.834 4.293 ( 6.399 40.686 6.796) 41.743 4.639 ( 1.360 -20.118 5.658) 20.943 5.309 ( -2.046 14.743 -8.082) 16.936 5.412 ( 3.649 14.577 0.620) 15.040 5.738 ( 2.343 0.219 7.754) 8.104 5.771 ( 3.098 1.567 15.262) 15.652 5.878 ( -0.952 -3.796 -3.316) 5.129 5.975 ( -1.333 -1.701 -4.453) 4.950 6.124 ( 1.281 5.984 -14.141) 15.409 6.264 ( -0.507 13.013 -6.061) 14.364 6.560 ( -4.406 13.934 3.670) 15.068 6.625 ( 2.646 -10.020 -21.453) 23.825 6.944 ( 1.748 -3.910 8.760) 9.751 7.386 ( -1.015 -3.401 2.048) 4.097 7.789 ( -0.003 -0.620 -0.303) 0.690 7.845 ( -12.511 2.087 0.879) 12.714 8.052 ( -6.784 25.321 5.843) 26.857 8.142 ( 4.256 7.386 0.470) 8.537 8.276 ( 11.474 1.011 1.110) 11.572 8.454 ( -5.116 18.981 -6.920) 20.841 8.916 ( -1.918 0.381 2.257) 2.987 8.949 ( -10.604 -0.986 -4.273) 11.475 9.161 ( 11.747 -8.868 -1.328) 14.778 9.261 ( 0.328 -8.017 3.926) 8.932 9.450 ( 4.092 -14.653 -3.371) 15.583 9.658 ( -1.139 -6.005 4.400) 7.531 9.830 ( -13.357 -10.062 0.925) 16.749 9.887 ( -6.862 -3.796 3.204) 8.472 10.053 ( -11.461 -11.335 -3.437) 16.482 10.160 ( -2.342 -6.510 -1.500) 7.079 10.288 ( -7.632 -10.912 3.498) 13.767 10.850 ( 2.983 -0.360 0.417) 3.033 11.168 ( 5.420 -1.590 -1.279) 5.791 11.268 ( -0.093 -1.929 1.739) 2.599 11.482 ( 4.645 2.751 -5.233) 7.519 11.583 ( 2.290 -11.262 5.603) 12.785 11.932 ( 1.434 -3.367 -0.462) 3.689 12.191 ( 2.485 1.910 -0.209) 3.141 12.242 ( -1.264 -3.132 -1.918) 3.884 12.336 ( 1.179 0.482 0.978) 1.606 12.444 ( 0.806 -0.100 0.557) 0.985 12.503 ( 1.016 -3.886 -0.377) 4.034 12.710 ( 0.773 0.658 0.930) 1.377 12.948 ( 4.528 0.608 1.581) 4.835 13.091 ( -0.861 4.396 -2.071) 4.935 13.153 ( -0.295 1.851 -1.695) 2.527 13.275 ( -0.342 1.358 -0.018) 1.400 13.409 ( 2.073 0.560 3.043) 3.724 13.442 ( -5.594 -0.274 -1.450) 5.785 13.555 ( -0.247 2.512 0.833) 2.658 13.648 ( -1.360 0.581 -1.004) 1.788 13.889 ( -4.913 -0.682 -0.115) 4.962 14.348 ( 5.503 4.493 -0.462) 7.119 14.645 ( -1.357 4.507 -0.655) 4.752 14.831 ( 1.325 0.068 0.222) 1.345 14.916 ( -1.820 -2.479 0.585) 3.130 15.009 ( -3.805 -4.797 -0.520) 6.145 15.886 ( 1.776 0.084 -0.893) 1.990 15.944 ( -0.673 -2.194 1.326) 2.651 ======================= Grid point 52 (34/168) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 0.000 39.281 -0.000) 39.281 4.006 ( 0.000 43.847 -0.000) 43.847 4.848 ( -0.000 -19.313 0.000) 19.313 5.142 ( 0.000 19.013 -0.000) 19.013 5.242 ( 0.000 25.404 -0.000) 25.404 5.479 ( 0.000 48.116 -0.000) 48.116 5.763 ( 0.000 26.080 -0.000) 26.080 5.799 ( 0.000 17.183 -0.000) 17.183 5.873 ( 0.000 2.888 -0.000) 2.888 6.162 ( -0.000 -10.802 0.000) 10.802 6.185 ( -0.000 -1.645 0.000) 1.645 6.458 ( -0.000 -9.985 0.000) 9.985 6.895 ( -0.000 -17.710 0.000) 17.710 6.985 ( -0.000 -13.461 0.000) 13.461 7.452 ( 0.000 27.909 -0.000) 27.909 7.605 ( -0.000 -16.293 0.000) 16.293 7.607 ( 0.000 31.346 -0.000) 31.346 7.848 ( -0.000 -0.885 0.000) 0.885 8.001 ( 0.000 24.628 -0.000) 24.628 8.286 ( 0.000 9.409 -0.000) 9.409 8.587 ( -0.000 -15.649 0.000) 15.649 8.830 ( -0.000 -4.289 0.000) 4.289 8.913 ( -0.000 -2.080 0.000) 2.080 9.293 ( -0.000 -8.179 0.000) 8.179 9.390 ( -0.000 -8.169 0.000) 8.169 9.679 ( -0.000 -16.323 0.000) 16.323 9.727 ( -0.000 -4.648 0.000) 4.648 9.777 ( -0.000 -5.285 0.000) 5.285 9.921 ( -0.000 -17.739 0.000) 17.739 10.000 ( -0.000 -9.923 0.000) 9.923 10.195 ( -0.000 -6.006 0.000) 6.006 10.316 ( -0.000 -12.394 0.000) 12.394 10.880 ( -0.000 -0.123 0.000) 0.123 11.247 ( 0.000 0.961 -0.000) 0.961 11.294 ( -0.000 -11.120 0.000) 11.120 11.466 ( 0.000 7.778 -0.000) 7.778 11.756 ( -0.000 -18.166 0.000) 18.166 11.979 ( -0.000 -4.161 0.000) 4.161 12.223 ( -0.000 -0.347 0.000) 0.347 12.245 ( -0.000 -2.542 0.000) 2.542 12.336 ( 0.000 0.936 -0.000) 0.936 12.442 ( 0.000 0.405 -0.000) 0.405 12.552 ( -0.000 -4.429 0.000) 4.429 12.713 ( 0.000 0.766 -0.000) 0.766 12.963 ( 0.000 4.528 -0.000) 4.528 13.049 ( 0.000 1.529 -0.000) 1.529 13.135 ( 0.000 3.547 -0.000) 3.547 13.263 ( 0.000 0.957 -0.000) 0.957 13.383 ( -0.000 -0.182 0.000) 0.182 13.426 ( 0.000 1.150 -0.000) 1.150 13.549 ( 0.000 0.906 -0.000) 0.906 13.606 ( 0.000 3.055 -0.000) 3.055 13.858 ( -0.000 -2.191 0.000) 2.191 14.340 ( 0.000 7.736 -0.000) 7.736 14.591 ( 0.000 4.704 -0.000) 4.704 14.848 ( 0.000 0.467 -0.000) 0.467 14.928 ( -0.000 -3.462 0.000) 3.462 15.017 ( -0.000 -5.617 0.000) 5.617 15.895 ( -0.000 -0.456 0.000) 0.456 15.968 ( -0.000 -2.492 0.000) 2.492 ======================= Grid point 61 (35/168) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( -8.209 -0.000 9.522) 12.572 4.263 ( -3.427 -0.000 3.540) 4.927 4.943 ( 1.031 0.000 5.446) 5.542 5.106 ( 11.227 0.000 7.558) 13.534 5.638 ( 1.322 0.000 9.550) 9.642 5.681 ( 6.923 0.000 -9.754) 11.961 5.694 ( 1.114 0.000 -15.549) 15.589 5.930 ( -1.167 -0.000 3.476) 3.666 6.008 ( -5.647 -0.000 4.306) 7.102 6.228 ( 11.756 0.000 13.262) 17.722 6.253 ( 2.863 0.000 -13.624) 13.921 6.515 ( 2.608 0.000 -23.469) 23.613 6.788 ( 0.236 0.000 4.240) 4.247 6.964 ( 13.097 0.000 2.368) 13.309 7.500 ( -16.606 -0.000 -1.383) 16.664 7.576 ( -20.414 -0.000 -11.403) 23.383 7.803 ( 3.429 0.000 3.629) 4.993 8.126 ( 18.276 0.000 7.508) 19.758 8.341 ( -7.880 -0.000 6.452) 10.184 8.451 ( 8.992 0.000 0.812) 9.029 8.791 ( -12.449 -0.000 -3.798) 13.016 8.865 ( 3.867 0.000 -2.423) 4.563 8.970 ( -10.160 -0.000 -6.815) 12.234 9.000 ( 8.916 0.000 9.990) 13.390 9.197 ( -1.239 -0.000 6.777) 6.889 9.243 ( 1.666 0.000 -12.506) 12.616 9.617 ( -3.427 -0.000 0.760) 3.510 9.684 ( -17.020 -0.000 9.067) 19.284 9.883 ( -10.547 -0.000 2.574) 10.857 9.905 ( -12.288 -0.000 -5.205) 13.345 10.103 ( -0.893 -0.000 -3.097) 3.224 10.182 ( -6.188 -0.000 2.813) 6.797 10.846 ( 2.986 0.000 0.438) 3.018 11.174 ( 5.366 0.000 0.014) 5.366 11.259 ( 0.825 0.000 1.222) 1.475 11.403 ( 2.963 0.000 -10.533) 10.941 11.564 ( 2.405 0.000 10.905) 11.167 11.899 ( 1.227 0.000 -0.761) 1.444 12.209 ( 1.659 0.000 -1.128) 2.006 12.214 ( -2.095 -0.000 -0.549) 2.165 12.338 ( 2.292 0.000 0.907) 2.464 12.454 ( 3.519 0.000 -0.430) 3.545 12.458 ( -0.905 -0.000 0.412) 0.994 12.716 ( 0.772 0.000 0.894) 1.181 12.953 ( 5.719 0.000 1.295) 5.864 13.145 ( 2.712 0.000 1.248) 2.985 13.157 ( -4.547 -0.000 -5.877) 7.431 13.287 ( -0.800 -0.000 0.265) 0.843 13.415 ( 2.418 0.000 3.934) 4.618 13.437 ( -6.082 -0.000 -1.805) 6.344 13.579 ( -2.113 -0.000 0.918) 2.304 13.653 ( 0.515 0.000 -0.974) 1.102 13.884 ( -5.344 -0.000 -0.293) 5.352 14.389 ( 6.719 0.000 -0.294) 6.725 14.694 ( -1.925 -0.000 -0.453) 1.977 14.825 ( 1.267 0.000 -0.220) 1.286 14.895 ( -1.798 -0.000 0.567) 1.885 14.960 ( -3.946 -0.000 -0.466) 3.973 15.891 ( 3.092 0.000 -1.690) 3.524 15.920 ( -1.899 -0.000 2.219) 2.921 ======================= Grid point 63 (36/168) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 0.000 30.388 -0.000) 30.388 4.362 ( -0.000 -19.919 0.000) 19.919 4.768 ( 0.000 28.771 -0.000) 28.771 5.313 ( -0.000 -8.730 0.000) 8.730 5.581 ( 0.000 11.166 -0.000) 11.166 5.703 ( -0.000 -3.347 0.000) 3.347 5.817 ( -0.000 -8.975 0.000) 8.975 5.892 ( 0.000 9.657 -0.000) 9.657 5.944 ( -0.000 -1.693 0.000) 1.693 6.246 ( 0.000 10.586 -0.000) 10.586 6.438 ( -0.000 -0.652 0.000) 0.652 6.501 ( 0.000 1.433 -0.000) 1.433 6.835 ( 0.000 33.988 -0.000) 33.988 6.844 ( -0.000 -1.688 0.000) 1.688 7.371 ( -0.000 -8.640 0.000) 8.640 7.496 ( -0.000 -24.332 0.000) 24.332 7.837 ( -0.000 -0.180 0.000) 0.180 8.129 ( 0.000 20.799 -0.000) 20.799 8.405 ( -0.000 -2.993 0.000) 2.993 8.435 ( 0.000 17.765 -0.000) 17.765 8.564 ( 0.000 19.194 -0.000) 19.194 8.777 ( 0.000 1.188 -0.000) 1.188 8.882 ( -0.000 -1.879 0.000) 1.879 9.200 ( -0.000 -2.282 0.000) 2.282 9.257 ( -0.000 -9.338 0.000) 9.338 9.382 ( -0.000 -11.840 0.000) 11.840 9.489 ( -0.000 -18.168 0.000) 18.168 9.671 ( -0.000 -1.859 0.000) 1.859 9.780 ( -0.000 -11.583 0.000) 11.583 9.785 ( -0.000 -1.762 0.000) 1.762 10.110 ( -0.000 -2.639 0.000) 2.639 10.147 ( -0.000 -5.134 0.000) 5.134 10.875 ( -0.000 -0.218 0.000) 0.218 11.215 ( 0.000 0.780 -0.000) 0.780 11.261 ( 0.000 0.461 -0.000) 0.461 11.485 ( -0.000 -10.640 0.000) 10.640 11.569 ( 0.000 3.333 -0.000) 3.333 11.920 ( -0.000 -2.035 0.000) 2.035 12.201 ( -0.000 -1.592 0.000) 1.592 12.224 ( 0.000 0.158 -0.000) 0.158 12.358 ( 0.000 0.834 -0.000) 0.834 12.447 ( 0.000 0.069 -0.000) 0.069 12.493 ( -0.000 -1.722 0.000) 1.722 12.725 ( 0.000 0.419 -0.000) 0.419 13.030 ( 0.000 2.504 -0.000) 2.504 13.074 ( 0.000 0.901 -0.000) 0.901 13.170 ( 0.000 0.549 -0.000) 0.549 13.276 ( 0.000 0.440 -0.000) 0.440 13.373 ( -0.000 -0.467 0.000) 0.467 13.438 ( 0.000 0.300 -0.000) 0.300 13.561 ( 0.000 0.354 -0.000) 0.354 13.649 ( 0.000 1.402 -0.000) 1.402 13.837 ( -0.000 -0.422 0.000) 0.422 14.442 ( 0.000 3.343 -0.000) 3.343 14.658 ( 0.000 2.423 -0.000) 2.423 14.843 ( -0.000 -0.794 0.000) 0.794 14.884 ( -0.000 -1.062 0.000) 1.062 14.936 ( -0.000 -2.892 0.000) 2.892 15.898 ( 0.000 0.729 -0.000) 0.729 15.929 ( -0.000 -1.752 0.000) 1.752 ======================= Grid point 125 (37/168) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 9.057 0.000 43.897) 44.821 0.869 ( -1.061 -0.000 46.978) 46.990 1.628 ( 0.722 0.000 88.069) 88.072 3.083 ( -5.270 -0.000 -36.169) 36.551 3.159 ( 2.142 0.000 -32.812) 32.882 4.082 ( -0.368 -0.000 17.476) 17.479 4.194 ( 0.769 0.000 21.705) 21.718 4.756 ( -0.164 -0.000 3.650) 3.654 5.303 ( -1.363 -0.000 -6.919) 7.052 5.909 ( -7.508 -0.000 -57.775) 58.261 6.448 ( -2.791 -0.000 4.647) 5.421 6.733 ( -1.819 -0.000 3.252) 3.726 6.924 ( -0.676 -0.000 0.484) 0.831 7.034 ( -0.730 -0.000 -5.879) 5.925 7.512 ( 10.409 0.000 4.222) 11.232 7.782 ( 17.274 0.000 26.779) 31.867 8.139 ( 6.389 0.000 -13.952) 15.345 8.442 ( -4.885 -0.000 -3.255) 5.870 8.568 ( 2.191 0.000 -16.585) 16.729 8.707 ( -6.738 -0.000 12.342) 14.061 8.712 ( -3.623 -0.000 -1.845) 4.066 9.046 ( -5.214 -0.000 5.209) 7.370 9.463 ( -0.102 -0.000 0.617) 0.626 9.470 ( -18.343 -0.000 0.986) 18.369 9.661 ( 4.714 0.000 -1.502) 4.948 9.663 ( -2.980 -0.000 8.656) 9.154 9.803 ( 3.837 0.000 1.122) 3.998 10.125 ( 0.634 0.000 3.697) 3.751 10.166 ( 3.197 0.000 -4.100) 5.199 10.602 ( -16.578 -0.000 -5.275) 17.397 10.634 ( 4.744 0.000 0.990) 4.846 10.669 ( -3.941 -0.000 -0.009) 3.941 10.759 ( 2.535 0.000 6.788) 7.246 11.029 ( -0.267 -0.000 -0.681) 0.731 11.340 ( -2.086 -0.000 1.125) 2.370 11.475 ( 0.650 0.000 -1.501) 1.635 12.072 ( 2.245 0.000 0.518) 2.304 12.166 ( -3.301 -0.000 -1.430) 3.598 12.373 ( -2.402 -0.000 -0.873) 2.555 12.416 ( 9.782 0.000 -2.163) 10.018 12.486 ( 0.095 0.000 5.050) 5.051 12.738 ( -0.498 -0.000 -1.450) 1.533 12.790 ( -2.064 -0.000 1.628) 2.629 12.800 ( 1.117 0.000 0.725) 1.332 12.877 ( -3.170 -0.000 1.014) 3.328 12.916 ( 3.010 0.000 0.720) 3.095 13.041 ( -0.420 -0.000 -1.799) 1.847 13.069 ( -1.170 -0.000 -0.876) 1.462 13.119 ( -0.209 -0.000 -1.898) 1.909 13.265 ( 10.921 0.000 -5.426) 12.195 13.534 ( -0.880 -0.000 1.310) 1.578 13.542 ( 1.897 0.000 0.951) 2.122 13.735 ( 3.123 0.000 6.684) 7.377 14.137 ( -1.571 -0.000 -3.585) 3.914 14.364 ( 0.805 0.000 3.623) 3.712 14.595 ( -1.170 -0.000 -2.336) 2.612 15.111 ( -0.208 -0.000 0.938) 0.961 15.267 ( -0.581 -0.000 -3.491) 3.539 16.012 ( 1.490 0.000 1.247) 1.943 16.074 ( -1.000 -0.000 -0.568) 1.150 ======================= Grid point 126 (38/168) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 49.115 3.822 27.992) 56.661 1.695 ( 33.742 -18.011 46.142) 59.933 2.295 ( 57.444 -37.049 46.374) 82.602 3.215 ( 13.481 -10.406 -33.810) 37.857 3.534 ( 31.002 -12.331 -31.094) 45.607 4.294 ( 17.611 0.856 18.527) 25.576 4.470 ( 22.937 -18.248 16.674) 33.721 4.984 ( 20.839 -2.660 2.988) 21.219 5.395 ( 6.164 -11.309 -8.595) 15.484 5.836 ( 1.064 -4.984 -47.584) 47.856 6.346 ( -4.164 6.804 0.825) 8.019 6.660 ( -5.577 -1.525 3.755) 6.894 6.874 ( -2.833 3.964 -0.866) 4.949 6.961 ( -5.635 0.591 -3.226) 6.520 7.678 ( 6.057 0.261 6.429) 8.837 8.064 ( 10.331 1.713 20.220) 22.771 8.205 ( 6.025 6.895 -11.648) 14.816 8.235 ( -8.918 16.123 -3.747) 18.801 8.413 ( -9.347 10.484 1.153) 14.093 8.603 ( -6.130 -4.405 -6.590) 10.020 8.641 ( -6.691 -3.755 -0.450) 7.686 9.002 ( -0.127 -0.866 3.975) 4.071 9.148 ( -11.724 3.526 6.399) 13.814 9.403 ( -6.560 -0.639 5.686) 8.705 9.620 ( -3.881 -2.426 -0.512) 4.605 9.637 ( -6.703 -1.787 4.360) 8.193 9.902 ( 5.241 -1.281 3.025) 6.186 10.118 ( -3.035 1.202 4.481) 5.544 10.275 ( 6.888 -0.960 -3.314) 7.704 10.379 ( -5.167 -0.254 -5.996) 7.919 10.586 ( -3.295 1.503 -1.345) 3.863 10.642 ( -2.761 -1.010 5.796) 6.499 10.845 ( 5.414 0.865 1.218) 5.616 11.016 ( -1.313 -0.140 -0.587) 1.445 11.405 ( 0.444 5.348 -1.161) 5.491 11.555 ( 0.400 -6.234 -13.286) 14.681 12.082 ( -3.998 1.539 -1.874) 4.676 12.128 ( 1.190 -2.983 0.918) 3.340 12.317 ( -5.042 0.008 -2.546) 5.648 12.420 ( -5.636 0.875 5.102) 7.653 12.496 ( -0.139 1.817 3.067) 3.567 12.722 ( -2.050 0.873 -2.910) 3.665 12.782 ( 3.069 1.607 0.576) 3.512 12.842 ( 0.134 -0.124 -1.776) 1.786 12.871 ( 3.674 -0.376 1.646) 4.044 12.902 ( -0.784 6.341 3.115) 7.108 13.021 ( 1.763 1.859 -1.339) 2.891 13.097 ( -1.701 -8.463 -2.739) 9.056 13.142 ( 0.175 -5.297 -2.080) 5.694 13.352 ( 0.395 2.818 -7.379) 7.909 13.480 ( -4.562 1.321 0.595) 4.786 13.540 ( -2.950 -1.693 1.575) 3.748 13.835 ( 4.284 -2.158 6.546) 8.115 14.057 ( -5.345 0.563 -4.595) 7.071 14.406 ( 3.964 -0.983 5.549) 6.890 14.644 ( 4.274 -1.990 -3.710) 5.999 15.120 ( 1.569 0.863 0.715) 1.928 15.273 ( 1.895 1.029 -3.914) 4.469 16.019 ( -0.406 0.737 2.577) 2.710 16.062 ( 0.187 0.501 -1.943) 2.016 ======================= Grid point 127 (39/168) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 49.868 -3.026 18.734) 53.356 2.406 ( 37.662 -5.105 37.923) 53.690 3.673 ( 25.790 -12.165 -26.715) 39.075 3.849 ( 62.803 -41.187 17.721) 77.166 4.266 ( 32.295 -16.262 -31.132) 47.714 4.680 ( 23.968 -0.618 16.298) 28.991 5.206 ( 31.611 -23.320 10.590) 40.684 5.372 ( 18.500 3.811 -0.989) 18.914 5.726 ( 18.751 -11.402 -5.053) 22.519 6.108 ( 18.651 -18.454 -23.585) 35.280 6.252 ( 2.100 3.600 -7.905) 8.936 6.565 ( -6.602 -2.589 6.147) 9.385 6.762 ( -5.068 3.768 -4.642) 7.838 6.849 ( -6.467 -0.979 -0.681) 6.576 7.673 ( -2.160 12.103 5.203) 13.350 7.792 ( -15.890 21.979 -13.985) 30.515 8.107 ( -7.326 4.962 -4.040) 9.727 8.161 ( -2.400 8.395 -2.293) 9.028 8.295 ( 4.481 5.780 22.151) 23.327 8.466 ( -13.220 -5.533 1.206) 14.382 8.626 ( -1.310 -6.954 -6.128) 9.361 8.886 ( -10.901 4.224 8.244) 14.305 8.983 ( -3.373 4.847 -0.776) 5.956 9.256 ( -9.957 -0.839 8.745) 13.279 9.461 ( -10.203 1.065 5.542) 11.659 9.639 ( 1.641 -4.289 -3.260) 5.632 9.958 ( 0.697 2.834 3.988) 4.942 10.035 ( -1.728 3.898 -0.121) 4.265 10.311 ( -3.136 -4.728 -4.249) 7.088 10.422 ( 5.084 0.974 -4.764) 7.035 10.540 ( -1.076 0.649 5.625) 5.764 10.622 ( 0.977 -2.235 -0.128) 2.442 10.913 ( 2.957 0.953 -2.345) 3.893 10.985 ( -1.262 1.240 -0.981) 2.023 11.326 ( -6.063 0.510 1.842) 6.357 11.506 ( -5.433 1.745 -12.351) 13.606 11.973 ( -5.792 3.196 -2.228) 6.980 12.114 ( -8.949 0.126 3.300) 9.539 12.200 ( -2.509 -2.716 -1.655) 4.050 12.332 ( -3.260 3.391 3.473) 5.847 12.440 ( -3.673 -0.240 3.962) 5.408 12.644 ( -3.146 4.430 -3.094) 6.253 12.769 ( -4.571 3.321 0.545) 5.676 12.838 ( -0.718 1.337 1.993) 2.505 12.864 ( 3.605 1.156 -0.871) 3.885 12.932 ( 0.929 1.167 -0.330) 1.528 13.058 ( 2.136 1.547 -0.617) 2.708 13.133 ( 0.201 -2.925 -0.191) 2.938 13.189 ( -0.600 -5.933 -1.629) 6.182 13.301 ( -4.628 0.899 -2.519) 5.346 13.422 ( 1.046 -3.295 -2.156) 4.075 13.495 ( -5.175 -5.256 1.376) 7.503 13.892 ( 0.930 -0.732 7.077) 7.176 13.985 ( -2.118 -1.790 -2.766) 3.917 14.520 ( 6.891 -1.178 4.833) 8.499 14.755 ( 6.564 -0.563 -3.390) 7.409 15.145 ( 2.102 1.783 0.627) 2.827 15.312 ( 3.594 1.643 -4.760) 6.186 15.992 ( -1.689 1.274 4.533) 5.002 16.073 ( 2.082 1.497 -3.898) 4.666 ======================= Grid point 128 (40/168) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 35.107 -9.140 25.160) 44.148 3.311 ( 51.572 0.207 11.938) 52.936 4.278 ( 28.358 -11.649 -21.912) 37.683 4.688 ( 15.378 -8.360 -31.284) 35.848 5.101 ( 23.256 0.336 8.229) 24.671 5.385 ( 52.249 -30.383 9.853) 61.238 5.546 ( 8.764 -0.172 3.459) 9.424 5.913 ( 20.673 -7.350 6.948) 23.015 6.114 ( 13.991 -2.460 4.840) 15.008 6.363 ( -2.963 -4.128 1.102) 5.199 6.427 ( 6.973 -3.753 -10.654) 13.275 6.691 ( 6.961 -0.219 -5.782) 9.052 6.748 ( 5.195 -10.150 4.242) 12.166 6.820 ( 13.846 -10.583 -11.818) 21.056 7.258 ( -15.108 20.293 -16.979) 30.469 7.471 ( -9.978 11.002 13.690) 20.199 7.854 ( -10.258 4.254 -1.348) 11.187 8.058 ( -7.257 4.739 -4.661) 9.841 8.175 ( -14.001 0.981 4.876) 14.858 8.379 ( -0.105 -0.068 4.385) 4.387 8.530 ( -13.874 -4.968 -4.277) 15.345 8.711 ( -7.475 3.955 3.405) 9.116 8.902 ( 0.601 1.407 12.534) 12.627 9.089 ( -8.171 0.065 8.416) 11.731 9.307 ( -4.445 2.058 1.565) 5.142 9.715 ( 3.971 0.159 -5.064) 6.437 9.932 ( 0.099 1.096 6.053) 6.152 10.024 ( 4.015 2.184 -2.628) 5.272 10.275 ( -4.936 -3.480 -6.503) 8.875 10.423 ( -2.457 2.074 1.028) 3.376 10.554 ( 1.967 0.062 2.774) 3.401 10.721 ( 5.862 -2.927 0.286) 6.559 10.928 ( -1.558 -0.422 -7.285) 7.461 10.966 ( 1.466 3.350 0.158) 3.660 11.174 ( -10.144 -1.699 1.941) 10.467 11.385 ( -4.265 3.527 -7.270) 9.137 11.809 ( -7.560 4.120 -0.490) 8.624 11.966 ( -5.683 -0.574 1.417) 5.885 12.194 ( -2.460 -0.966 0.051) 2.644 12.221 ( -3.481 4.041 1.659) 5.585 12.383 ( -3.309 0.850 2.607) 4.298 12.555 ( -2.286 2.704 -3.301) 4.841 12.653 ( -4.415 3.692 2.927) 6.457 12.791 ( -3.551 1.456 2.280) 4.464 12.857 ( -6.129 0.377 -3.550) 7.093 12.902 ( 0.172 0.385 -3.389) 3.416 13.063 ( 1.703 2.692 -0.421) 3.213 13.125 ( -2.447 1.597 1.679) 3.370 13.199 ( -4.004 -3.715 1.773) 5.743 13.296 ( 2.347 -6.392 -0.028) 6.809 13.450 ( -5.604 -9.106 -0.042) 10.693 13.525 ( 4.070 -3.694 -2.649) 6.102 13.927 ( 2.209 -0.048 8.415) 8.700 14.007 ( 3.236 -2.247 -3.321) 5.153 14.667 ( 8.037 -0.607 3.448) 8.767 14.882 ( 6.807 -0.329 -2.277) 7.185 15.155 ( 0.857 2.376 0.921) 2.688 15.361 ( 3.612 2.032 -5.867) 7.183 15.939 ( -2.717 1.900 6.720) 7.494 16.105 ( 3.261 2.161 -5.284) 6.574 ======================= Grid point 129 (41/168) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 35.967 -6.873 15.750) 39.861 4.198 ( 43.726 -2.957 8.180) 44.582 4.792 ( 16.676 -4.926 -15.011) 22.971 4.909 ( 3.751 -6.179 -25.674) 26.672 5.365 ( 13.285 6.212 -9.864) 17.674 5.777 ( 9.093 -3.949 7.250) 12.282 5.898 ( -3.576 12.836 5.063) 14.254 6.166 ( -6.904 -2.365 -2.378) 7.676 6.310 ( 11.727 -3.297 5.809) 13.496 6.434 ( 10.106 1.118 -7.147) 12.429 6.651 ( 5.100 -0.593 2.092) 5.544 6.687 ( 1.526 -9.186 3.171) 9.837 6.868 ( 11.218 3.361 -1.672) 11.830 7.003 ( -0.115 1.675 5.024) 5.297 7.237 ( -5.773 -9.294 4.610) 11.872 7.346 ( 15.079 -0.160 -1.456) 15.150 7.760 ( -0.734 -3.020 1.430) 3.421 7.808 ( -13.707 -4.507 1.458) 14.503 7.996 ( -2.277 7.263 0.543) 7.631 8.193 ( -13.679 0.180 -0.057) 13.681 8.418 ( -10.382 -5.573 -7.764) 14.111 8.528 ( -6.929 -0.929 8.168) 10.751 8.891 ( -1.677 4.604 0.877) 4.978 9.042 ( 1.597 -3.570 9.702) 10.460 9.261 ( 1.926 3.729 -2.588) 4.931 9.819 ( 8.108 -0.272 -3.330) 8.770 9.940 ( -0.292 -1.126 5.046) 5.179 10.092 ( -0.200 -0.629 -7.299) 7.329 10.237 ( 2.158 -2.279 -2.072) 3.760 10.366 ( -0.592 2.060 3.310) 3.943 10.574 ( 0.386 -0.761 1.766) 1.961 10.831 ( -2.904 3.128 -3.438) 5.481 10.847 ( -0.339 -2.225 1.635) 2.781 10.945 ( -0.347 2.496 -2.773) 3.747 11.096 ( -0.657 -4.496 0.251) 4.551 11.273 ( -4.507 4.610 -3.040) 7.128 11.660 ( -5.100 3.345 -0.902) 6.165 11.906 ( -2.240 -0.547 0.979) 2.505 12.106 ( -2.053 2.304 0.328) 3.103 12.197 ( -0.751 -0.119 -3.308) 3.394 12.296 ( -3.950 2.331 4.075) 6.136 12.512 ( -1.854 2.242 -1.939) 3.496 12.559 ( -1.232 2.846 3.817) 4.918 12.711 ( -3.917 -1.185 1.859) 4.495 12.728 ( -6.520 2.935 -4.262) 8.324 12.878 ( -4.055 -4.299 -6.010) 8.429 13.044 ( -3.997 2.017 1.614) 4.759 13.073 ( 1.591 2.470 0.145) 2.942 13.184 ( -1.560 -5.307 5.441) 7.759 13.384 ( 1.833 -2.415 2.169) 3.728 13.441 ( -4.362 -9.083 -3.367) 10.624 13.595 ( 1.120 -0.507 -1.139) 1.676 13.974 ( 3.602 0.676 8.286) 9.060 14.142 ( 7.256 -3.894 -3.910) 9.115 14.814 ( 7.517 0.013 1.791) 7.728 14.992 ( 4.732 -0.151 -1.057) 4.851 15.132 ( -1.227 1.989 1.364) 2.705 15.399 ( 2.582 1.851 -6.826) 7.529 15.865 ( -3.566 2.100 8.325) 9.297 16.146 ( 3.295 1.973 -5.720) 6.890 ======================= Grid point 130 (42/168) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( 35.238 -3.966 10.068) 36.862 4.778 ( -11.172 -0.116 -10.449) 15.298 4.927 ( 24.303 -2.487 3.192) 24.638 5.002 ( 1.963 -0.390 -5.768) 6.105 5.450 ( 3.678 8.448 -13.558) 16.393 5.727 ( -9.017 2.226 -8.601) 12.659 5.872 ( 10.022 1.579 -1.780) 10.301 6.075 ( -13.189 7.864 -9.180) 17.890 6.260 ( 1.914 -2.877 1.297) 3.691 6.522 ( -2.135 3.162 4.920) 6.226 6.610 ( -4.561 2.460 -6.345) 8.193 6.784 ( 4.061 -6.647 9.652) 12.403 6.990 ( -1.144 -8.133 3.850) 9.071 7.105 ( 7.594 -8.204 7.010) 13.195 7.367 ( -6.661 10.369 7.452) 14.402 7.422 ( 4.220 -3.476 9.588) 11.037 7.672 ( -1.647 -14.139 10.791) 17.862 7.850 ( 2.685 4.133 -5.299) 7.237 7.942 ( 1.380 4.181 -1.874) 4.785 8.003 ( -7.702 0.530 2.629) 8.155 8.309 ( -4.800 -6.030 -7.009) 10.418 8.442 ( -3.352 -0.224 7.513) 8.230 8.857 ( 2.016 3.619 -5.467) 6.860 9.076 ( -0.869 1.811 -2.911) 3.537 9.318 ( 7.864 3.570 -1.936) 8.851 9.810 ( -10.491 -4.768 3.397) 12.014 10.025 ( 4.138 -2.109 0.629) 4.687 10.078 ( 4.216 4.479 -8.808) 10.743 10.323 ( 0.970 0.903 -4.927) 5.102 10.408 ( 5.546 -2.307 9.648) 11.365 10.606 ( 0.284 -1.679 0.757) 1.864 10.701 ( -2.369 0.715 -0.151) 2.479 10.855 ( -0.746 0.840 -0.441) 1.207 10.953 ( 0.321 -1.630 -4.488) 4.786 11.142 ( -3.180 4.172 -1.197) 5.381 11.168 ( 2.673 -2.669 4.096) 5.573 11.568 ( -2.639 1.208 -0.989) 3.066 11.875 ( -1.215 0.317 -0.540) 1.367 12.112 ( 1.257 -3.420 -1.255) 3.854 12.159 ( -0.183 4.427 -4.497) 6.312 12.250 ( -0.561 -0.214 4.850) 4.887 12.411 ( -5.580 4.536 -0.713) 7.226 12.553 ( -0.810 -1.126 -1.077) 1.757 12.621 ( -0.146 2.193 -0.303) 2.219 12.687 ( -0.415 -2.865 3.920) 4.873 12.842 ( -3.989 -4.911 -6.964) 9.409 12.966 ( -2.211 2.817 -0.567) 3.625 13.088 ( 2.106 0.922 2.787) 3.612 13.219 ( 0.918 -2.154 6.284) 6.706 13.376 ( -4.644 -3.231 -2.200) 6.070 13.463 ( 0.932 -2.501 -0.506) 2.717 13.589 ( 0.084 3.077 -0.143) 3.081 14.031 ( 2.104 1.061 5.979) 6.427 14.286 ( 4.011 -3.331 -2.913) 5.973 14.929 ( 4.876 0.162 0.190) 4.882 15.044 ( 0.768 0.282 -0.313) 0.876 15.089 ( -1.494 0.702 2.074) 2.651 15.419 ( 1.199 0.833 -7.483) 7.624 15.786 ( -3.569 0.899 8.735) 9.478 16.184 ( 2.387 0.816 -5.142) 5.727 ======================= Grid point 131 (43/168) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( -26.835 8.346 1.258) 28.131 4.768 ( -20.613 6.896 -1.790) 21.810 5.161 ( 30.002 0.765 8.800) 31.275 5.247 ( 5.263 -1.678 -6.308) 8.385 5.506 ( -14.382 -3.157 -16.116) 21.830 5.612 ( 10.907 -2.599 -1.233) 11.280 5.821 ( -6.598 3.856 -9.348) 12.075 5.978 ( -8.106 -1.126 -3.481) 8.893 6.131 ( 0.749 0.341 -3.137) 3.243 6.465 ( -0.116 1.603 -4.428) 4.711 6.663 ( 2.834 -8.036 3.869) 9.358 6.950 ( -3.733 -1.533 -3.042) 5.053 6.982 ( -12.303 -1.750 11.289) 16.789 7.225 ( 3.546 -8.166 7.399) 11.576 7.231 ( 6.911 -12.260 14.806) 20.427 7.383 ( -7.533 5.075 4.318) 10.057 7.693 ( -11.682 1.384 7.652) 14.033 7.776 ( -0.828 -0.668 2.093) 2.348 7.947 ( 2.827 2.432 -4.727) 6.021 8.067 ( 9.184 3.733 -0.566) 9.930 8.211 ( -0.754 4.044 -1.910) 4.535 8.494 ( 5.097 -0.432 3.841) 6.397 8.840 ( 0.383 8.057 -4.284) 9.133 8.962 ( -4.466 8.755 -7.170) 12.166 9.413 ( 1.257 -1.124 -0.552) 1.774 9.724 ( 0.558 -1.812 -0.843) 2.075 10.044 ( -4.959 1.305 1.946) 5.484 10.093 ( 2.531 1.311 -2.866) 4.042 10.264 ( -1.628 2.596 -5.307) 6.129 10.519 ( 1.005 -0.432 7.178) 7.261 10.566 ( -1.222 0.197 0.031) 1.238 10.749 ( 1.725 -0.433 1.627) 2.411 10.853 ( -0.089 -1.417 -0.184) 1.432 10.990 ( 3.724 -2.522 -5.337) 6.979 11.113 ( 1.716 -2.827 -0.599) 3.361 11.240 ( 3.277 1.436 5.853) 6.860 11.545 ( -0.305 -2.185 -1.889) 2.905 11.869 ( 0.185 -2.148 -0.323) 2.179 12.132 ( 1.167 0.357 -1.047) 1.608 12.171 ( -0.558 3.733 -8.376) 9.187 12.243 ( 1.451 -2.317 4.014) 4.856 12.310 ( -1.008 -1.778 3.373) 3.944 12.572 ( 1.715 -1.725 -2.117) 3.225 12.624 ( 0.768 0.794 0.525) 1.223 12.762 ( 4.387 -2.827 4.868) 7.137 12.825 ( -0.446 -2.115 -6.491) 6.842 12.914 ( -0.197 3.580 -2.001) 4.106 13.134 ( 2.239 -1.124 4.456) 5.112 13.247 ( 1.868 2.662 6.331) 7.117 13.320 ( -2.363 -0.975 -3.965) 4.718 13.504 ( 1.326 -1.362 -0.833) 2.076 13.549 ( 0.317 6.359 -0.412) 6.381 14.002 ( -3.391 3.726 4.563) 6.797 14.318 ( -2.500 -0.909 -1.438) 3.024 14.952 ( -3.675 -0.746 0.464) 3.779 15.041 ( -0.185 0.223 -0.646) 0.708 15.078 ( 0.714 0.045 2.539) 2.638 15.428 ( 0.024 -1.089 -8.436) 8.506 15.738 ( -1.837 -1.161 7.852) 8.147 16.212 ( 0.719 -0.742 -3.785) 3.924 ======================= Grid point 132 (44/168) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -33.739 12.328 9.681) 37.202 4.158 ( -36.949 9.461 4.283) 38.381 5.057 ( -31.432 -0.874 -20.012) 37.272 5.263 ( -4.034 2.756 -4.442) 6.603 5.440 ( -2.908 4.102 -3.568) 6.165 5.692 ( -0.917 7.900 -9.177) 12.144 5.886 ( 14.618 -4.271 3.680) 15.667 5.948 ( -3.616 -6.082 9.405) 11.769 6.185 ( 1.386 -10.813 0.760) 10.928 6.367 ( -24.730 4.061 3.290) 25.276 6.547 ( -8.358 0.155 -6.233) 10.427 6.794 ( -3.768 0.133 4.955) 6.227 7.010 ( 0.022 6.387 2.430) 6.833 7.032 ( -11.704 -10.568 -4.952) 16.528 7.311 ( 1.178 5.735 9.644) 11.282 7.440 ( -12.847 0.642 -11.641) 17.349 7.687 ( 1.953 -6.609 11.475) 13.385 7.720 ( 5.757 -3.046 12.684) 14.258 7.967 ( 8.943 -1.088 -13.262) 16.032 8.011 ( 0.934 9.887 0.219) 9.933 8.372 ( 10.528 4.400 -6.611) 13.187 8.570 ( 0.207 0.356 1.946) 1.990 8.752 ( 7.754 5.406 7.072) 11.806 8.924 ( 5.237 3.566 -1.272) 6.462 9.410 ( -2.037 -3.918 1.988) 4.843 9.782 ( 0.637 1.107 -3.737) 3.949 9.905 ( -2.570 3.042 0.774) 4.057 10.134 ( 0.926 0.603 -1.604) 1.948 10.304 ( 6.797 -0.730 -2.918) 7.433 10.428 ( -6.972 -0.756 5.147) 8.699 10.579 ( 0.304 0.423 2.146) 2.208 10.759 ( -1.765 0.517 -1.308) 2.257 10.869 ( 2.062 -0.633 0.552) 2.226 11.055 ( 1.456 -0.213 -1.347) 1.995 11.200 ( 0.454 0.272 2.663) 2.715 11.297 ( 7.153 -1.732 -3.033) 7.961 11.600 ( 3.762 -4.241 -2.124) 6.054 11.936 ( 3.247 -5.789 2.973) 7.272 12.096 ( -1.845 0.666 -3.192) 3.747 12.185 ( 4.153 0.590 -2.389) 4.828 12.322 ( 2.723 -2.145 2.504) 4.276 12.383 ( 4.658 -4.898 2.076) 7.071 12.627 ( 2.341 -0.657 -1.198) 2.711 12.649 ( 2.633 -1.318 0.916) 3.083 12.814 ( 1.390 -0.850 -3.364) 3.738 12.889 ( 1.051 -2.389 -3.564) 4.418 12.918 ( 6.431 4.079 1.239) 7.716 13.172 ( -0.209 -2.126 4.028) 4.559 13.234 ( -0.305 1.356 2.857) 3.177 13.323 ( 3.588 5.330 0.356) 6.435 13.471 ( -1.619 4.670 -2.626) 5.598 13.550 ( 3.971 5.262 -1.990) 6.886 13.860 ( -7.332 5.047 3.966) 9.745 14.234 ( -5.977 0.231 0.527) 6.005 14.841 ( -8.405 -0.419 2.331) 8.732 14.996 ( -3.820 0.710 -0.894) 3.987 15.115 ( 1.474 -1.486 1.273) 2.450 15.429 ( -1.913 -2.894 -8.143) 8.851 15.749 ( 1.153 -2.126 5.490) 5.999 16.217 ( -1.289 -1.800 -2.212) 3.129 ======================= Grid point 133 (45/168) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -37.988 13.856 16.554) 43.693 3.318 ( -44.569 11.228 10.676) 47.185 4.430 ( -35.695 -0.275 -24.079) 43.058 4.963 ( -25.155 11.193 14.414) 31.078 5.174 ( -18.763 13.561 -30.276) 38.113 5.332 ( -47.540 17.988 12.377) 52.314 5.596 ( -9.492 8.644 5.119) 13.821 5.850 ( -15.672 0.425 17.700) 23.645 6.113 ( -7.855 -0.820 3.936) 8.824 6.267 ( 2.832 -4.275 -0.311) 5.137 6.682 ( 5.850 -11.913 -13.492) 18.926 6.711 ( -8.897 5.674 -11.938) 15.933 6.783 ( -5.255 1.419 3.457) 6.449 6.926 ( -14.941 0.201 -3.014) 15.243 6.992 ( -8.239 5.462 -8.744) 13.197 7.489 ( 10.837 4.747 -1.988) 11.997 7.543 ( 1.662 13.233 -2.753) 13.618 7.929 ( 7.059 -6.690 -0.060) 9.726 8.215 ( 11.907 -10.871 5.399) 17.003 8.268 ( 13.610 -11.930 1.043) 18.128 8.542 ( 14.077 0.100 -6.346) 15.441 8.572 ( 0.983 -7.373 4.855) 8.882 8.951 ( 8.345 3.657 13.029) 15.898 9.069 ( 13.995 -1.076 2.306) 14.225 9.432 ( 1.233 -2.889 3.409) 4.636 9.724 ( -1.046 2.886 -2.783) 4.143 9.911 ( 0.814 0.599 0.717) 1.239 10.130 ( -1.516 -1.739 -3.003) 3.787 10.304 ( -4.016 0.818 2.759) 4.941 10.482 ( 7.561 -1.523 0.740) 7.748 10.538 ( -4.090 2.545 2.512) 5.433 10.706 ( -1.655 -0.063 -0.119) 1.661 10.927 ( 2.808 -0.013 -0.262) 2.820 11.042 ( -2.646 2.549 -5.423) 6.551 11.178 ( 2.827 2.453 0.547) 3.783 11.493 ( 9.105 -6.318 -3.336) 11.574 11.757 ( 9.071 -3.416 -1.053) 9.750 12.067 ( 3.829 -6.030 4.145) 8.258 12.086 ( 0.288 -1.768 -3.033) 3.523 12.263 ( 3.816 -1.608 1.959) 4.581 12.383 ( 3.096 0.631 2.540) 4.054 12.515 ( 5.239 -3.226 -1.363) 6.301 12.672 ( 1.976 -1.322 -0.202) 2.386 12.737 ( 4.300 -3.419 0.613) 5.528 12.878 ( 3.150 -2.436 -1.456) 4.240 12.907 ( 1.330 1.200 -0.743) 1.939 12.995 ( 2.689 -0.607 -3.001) 4.075 13.159 ( -2.047 -1.129 1.645) 2.859 13.249 ( 2.223 1.185 1.660) 3.017 13.302 ( -0.036 6.580 1.114) 6.674 13.434 ( 3.696 7.009 -0.332) 7.930 13.544 ( 0.779 8.021 -7.883) 11.273 13.691 ( -5.113 3.787 5.782) 8.598 14.132 ( -4.459 0.122 2.020) 4.896 14.674 ( -9.623 0.351 3.117) 10.121 14.903 ( -5.629 0.192 -1.233) 5.766 15.143 ( -0.246 -1.889 0.717) 2.036 15.400 ( -3.819 -3.000 -6.080) 7.781 15.811 ( 3.269 -1.854 2.494) 4.511 16.195 ( -2.936 -1.955 -0.998) 3.666 ======================= Grid point 134 (46/168) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -40.198 12.211 23.164) 47.974 2.393 ( -43.465 15.254 21.786) 50.956 3.758 ( -47.596 15.630 -6.974) 50.580 3.866 ( -51.529 17.593 -0.944) 54.458 4.481 ( -35.044 26.614 -26.209) 51.218 4.634 ( -22.112 6.200 19.587) 30.183 5.126 ( -30.283 16.826 13.491) 37.177 5.481 ( -25.912 -1.189 2.535) 26.063 5.856 ( -15.576 15.596 2.121) 22.144 6.214 ( -5.124 2.229 -11.686) 12.953 6.432 ( -5.733 -3.294 -26.821) 27.624 6.594 ( -3.376 -1.319 -3.833) 5.276 6.831 ( 0.154 -8.553 -2.356) 8.873 7.028 ( 5.567 -4.263 -6.517) 9.572 7.088 ( 14.376 -0.309 11.533) 18.433 7.446 ( 2.917 12.378 5.430) 13.828 7.692 ( 12.613 -1.968 -11.090) 16.910 8.191 ( 9.408 -11.962 -7.258) 16.860 8.442 ( 2.742 -7.804 -3.085) 8.828 8.536 ( 6.170 -9.618 8.662) 14.339 8.677 ( 5.999 -8.536 3.703) 11.071 8.933 ( 11.867 -10.303 7.482) 17.406 9.036 ( 8.037 -1.240 6.033) 10.126 9.320 ( 13.026 4.271 2.095) 13.868 9.525 ( 6.776 -0.781 6.692) 9.556 9.705 ( 1.665 5.618 1.174) 5.976 9.873 ( -3.310 1.425 -1.785) 4.021 10.119 ( -2.729 -4.825 -1.015) 5.636 10.253 ( -1.919 0.583 -1.954) 2.800 10.407 ( -3.130 2.851 2.208) 4.774 10.632 ( 7.047 0.693 4.139) 8.202 10.699 ( -1.217 -2.536 1.477) 3.178 10.892 ( -6.215 1.466 -3.818) 7.440 11.001 ( 2.854 3.175 -2.430) 4.912 11.275 ( 6.910 -0.997 -1.180) 7.080 11.719 ( 8.191 -7.200 -7.060) 12.991 11.940 ( 8.197 0.111 -2.528) 8.578 12.096 ( 0.771 -1.441 -1.689) 2.350 12.182 ( 2.829 -2.553 1.968) 4.289 12.349 ( 2.078 -4.246 6.810) 8.289 12.427 ( 2.705 1.292 2.836) 4.127 12.633 ( 5.769 -2.032 -4.234) 7.439 12.717 ( 1.246 -2.050 -0.436) 2.438 12.851 ( 3.635 -2.996 0.419) 4.729 12.877 ( -2.369 -1.789 1.923) 3.537 12.908 ( -1.156 3.200 0.531) 3.444 13.066 ( 0.314 -5.233 -2.724) 5.908 13.142 ( -0.366 -0.613 0.337) 0.789 13.202 ( -2.128 5.376 -2.847) 6.444 13.316 ( 6.475 7.903 1.104) 10.277 13.403 ( -3.801 4.370 -7.683) 9.622 13.478 ( 3.107 3.361 0.651) 4.623 13.656 ( 3.150 4.157 4.628) 6.973 14.086 ( -0.582 -0.451 1.227) 1.431 14.504 ( -8.034 1.146 3.376) 8.790 14.794 ( -6.102 0.238 -1.475) 6.282 15.141 ( -1.478 -1.584 0.651) 2.262 15.347 ( -4.089 -2.078 -4.374) 6.338 15.892 ( 3.823 -1.226 0.777) 4.089 16.150 ( -3.461 -1.437 -0.410) 3.769 ======================= Grid point 135 (47/168) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -38.896 10.046 27.931) 48.928 1.545 ( -32.207 24.186 38.859) 55.967 2.290 ( -62.872 27.239 46.548) 82.834 3.321 ( -21.088 -2.197 -32.682) 38.957 3.588 ( -31.147 24.520 -29.659) 49.508 4.278 ( -14.780 0.716 19.934) 24.826 4.437 ( -23.096 17.256 19.341) 34.717 4.998 ( -22.875 2.657 1.302) 23.065 5.455 ( -9.742 12.222 -4.404) 16.238 6.084 ( -8.240 0.984 -52.257) 52.911 6.441 ( 0.032 -5.494 0.942) 5.575 6.672 ( 3.982 -5.829 4.594) 8.423 6.902 ( 0.400 -5.430 0.080) 5.446 7.054 ( -0.907 1.367 -3.605) 3.960 7.343 ( 12.093 5.144 1.845) 13.270 7.495 ( 12.403 3.184 19.297) 23.160 7.954 ( 11.028 -5.864 -12.400) 17.600 8.416 ( 3.052 -11.793 -8.885) 15.077 8.506 ( 1.553 -1.494 -4.946) 5.395 8.671 ( -0.776 -9.643 7.316) 12.129 8.811 ( 0.395 -1.342 6.342) 6.495 9.044 ( 2.600 -2.607 6.220) 7.228 9.336 ( 9.376 -10.171 4.279) 14.480 9.499 ( 11.342 3.064 -1.820) 11.889 9.594 ( -0.664 4.567 4.548) 6.479 9.693 ( 2.923 1.045 7.297) 7.930 9.803 ( -1.820 3.690 -0.782) 4.188 10.122 ( -0.299 -1.947 -1.816) 2.679 10.177 ( -2.883 2.168 -2.797) 4.564 10.467 ( 8.373 -1.687 0.716) 8.571 10.693 ( -3.028 -4.803 1.193) 5.802 10.724 ( 3.385 0.850 7.381) 8.165 10.765 ( -5.334 1.473 -2.730) 6.171 11.025 ( 1.718 1.668 -0.591) 2.466 11.397 ( 3.471 -3.463 -1.202) 5.049 11.768 ( -11.833 2.138 -23.423) 26.329 12.027 ( 3.505 1.020 -1.730) 4.040 12.175 ( 4.936 0.078 3.419) 6.005 12.236 ( 3.988 -2.213 0.392) 4.577 12.400 ( -0.008 -1.417 4.236) 4.466 12.453 ( 1.570 0.443 3.461) 3.826 12.738 ( 1.724 0.356 -1.107) 2.079 12.765 ( 3.848 -2.254 -1.766) 4.797 12.824 ( -1.066 1.505 -0.177) 1.853 12.861 ( -2.241 -2.601 2.209) 4.083 12.933 ( -0.495 -1.120 3.049) 3.285 13.032 ( -3.563 -3.168 -1.028) 4.877 13.125 ( -0.153 6.171 -3.793) 7.245 13.156 ( 1.757 4.750 -0.786) 5.125 13.215 ( -4.172 6.183 -6.677) 10.011 13.466 ( 6.166 -1.025 -0.095) 6.251 13.521 ( 2.348 0.602 1.650) 2.932 13.690 ( 3.124 1.733 5.221) 6.327 14.114 ( 2.052 -1.337 -1.390) 2.816 14.384 ( -3.516 1.211 3.537) 5.132 14.678 ( -5.465 1.667 -1.971) 6.044 15.124 ( -1.494 -0.872 0.852) 1.928 15.295 ( -2.804 -1.027 -3.574) 4.658 15.966 ( 3.185 -0.663 0.515) 3.294 16.102 ( -2.522 -0.599 -0.242) 2.604 ======================= Grid point 137 (48/168) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 37.544 0.000 37.748) 53.240 2.475 ( 53.852 0.000 19.286) 57.202 3.386 ( 75.628 0.000 25.961) 79.960 3.573 ( 29.265 0.000 -29.732) 41.719 4.114 ( 35.305 0.000 -33.261) 48.505 4.729 ( 23.821 0.000 16.945) 29.233 4.936 ( 36.350 0.000 11.579) 38.149 5.489 ( 11.321 0.000 -2.348) 11.562 5.537 ( 36.635 0.000 -0.896) 36.646 5.935 ( 15.467 0.000 -32.793) 36.257 6.306 ( -2.241 -0.000 -3.406) 4.077 6.530 ( -6.992 -0.000 2.274) 7.352 6.802 ( -6.482 -0.000 -3.026) 7.153 6.834 ( -7.994 -0.000 -0.430) 8.005 7.767 ( 1.272 0.000 9.312) 9.398 8.107 ( -11.295 -0.000 -9.299) 14.630 8.143 ( -5.800 -0.000 -3.316) 6.681 8.217 ( -16.864 -0.000 -20.719) 26.714 8.317 ( -12.045 -0.000 11.393) 16.579 8.412 ( 9.099 0.000 20.213) 22.167 8.527 ( -9.236 -0.000 -6.442) 11.260 8.930 ( -8.244 -0.000 8.716) 11.997 9.041 ( -1.722 -0.000 -1.844) 2.523 9.238 ( -11.306 -0.000 11.936) 16.440 9.465 ( -9.991 -0.000 7.345) 12.400 9.596 ( 2.211 0.000 -4.359) 4.888 9.984 ( 1.659 0.000 6.138) 6.359 10.081 ( -0.759 -0.000 -0.085) 0.764 10.257 ( -3.713 -0.000 -5.396) 6.550 10.433 ( 6.686 0.000 -4.654) 8.147 10.556 ( -0.142 -0.000 -4.122) 4.125 10.586 ( -2.408 -0.000 7.392) 7.774 10.922 ( 2.385 0.000 -1.466) 2.799 10.998 ( -0.956 -0.000 -1.125) 1.476 11.325 ( -8.075 -0.000 1.420) 8.199 11.522 ( -3.823 -0.000 -11.384) 12.009 12.017 ( -4.262 -0.000 -5.081) 6.632 12.101 ( -7.097 -0.000 5.534) 9.000 12.173 ( -4.933 -0.000 -2.722) 5.634 12.365 ( -1.459 -0.000 1.464) 2.067 12.436 ( -5.612 -0.000 5.966) 8.190 12.696 ( -1.963 -0.000 -3.633) 4.129 12.790 ( -4.745 -0.000 -2.063) 5.174 12.851 ( 0.956 0.000 2.768) 2.929 12.882 ( -3.152 -0.000 -1.908) 3.684 12.965 ( 1.756 0.000 1.354) 2.218 13.047 ( 4.456 0.000 -0.502) 4.484 13.084 ( 1.803 0.000 -1.485) 2.336 13.137 ( 2.361 0.000 -0.308) 2.381 13.340 ( -2.747 -0.000 -2.591) 3.776 13.375 ( -7.628 -0.000 -0.971) 7.690 13.444 ( -3.770 -0.000 1.249) 3.972 13.885 ( 2.293 0.000 10.228) 10.482 13.969 ( -2.873 -0.000 -5.062) 5.820 14.510 ( 7.385 0.000 4.963) 8.898 14.750 ( 7.146 0.000 -3.475) 7.946 15.161 ( 2.136 0.000 0.658) 2.235 15.326 ( 3.441 0.000 -4.874) 5.966 16.003 ( -1.698 -0.000 4.679) 4.977 16.086 ( 2.234 0.000 -4.008) 4.588 ======================= Grid point 138 (49/168) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 38.602 -3.315 26.152) 46.744 3.388 ( 49.628 5.295 14.288) 51.915 4.142 ( 32.051 -3.852 -20.879) 38.445 4.604 ( 22.465 -0.212 -32.946) 39.877 4.869 ( 66.121 -19.167 9.612) 69.511 5.173 ( 26.187 2.419 12.100) 28.949 5.494 ( 12.971 -4.844 -0.034) 13.846 5.813 ( 26.464 -1.756 15.540) 30.739 6.127 ( 18.501 1.423 -6.678) 19.720 6.319 ( 9.891 -0.411 -4.667) 10.944 6.377 ( 9.590 -1.673 -12.736) 16.030 6.493 ( 11.519 -9.968 6.187) 16.442 6.702 ( 3.040 -1.587 -9.197) 9.815 6.721 ( -2.019 -1.550 -1.963) 3.214 7.623 ( -17.576 13.591 -8.388) 23.749 7.688 ( -13.940 15.720 2.491) 21.158 7.864 ( -18.192 -2.138 0.156) 18.318 8.006 ( -20.575 -12.286 -5.494) 24.586 8.207 ( -3.534 4.952 -7.561) 9.704 8.336 ( -7.247 -5.455 -3.621) 9.767 8.507 ( -2.288 1.750 17.905) 18.135 8.769 ( -9.446 2.046 2.353) 9.947 8.961 ( -3.809 4.746 13.497) 14.805 9.057 ( -9.119 -3.577 11.696) 15.256 9.333 ( -3.211 0.755 2.187) 3.958 9.695 ( 7.254 -1.465 -2.959) 7.970 9.934 ( -3.984 0.218 5.002) 6.398 10.106 ( 3.355 4.192 -4.053) 6.728 10.213 ( -2.700 -2.609 -5.528) 6.682 10.490 ( 0.604 4.564 -2.491) 5.234 10.554 ( 0.858 0.286 4.452) 4.543 10.626 ( 3.252 -6.384 -1.931) 7.420 10.934 ( -0.949 1.101 -4.330) 4.567 10.981 ( -0.735 -1.436 -3.166) 3.553 11.166 ( -8.702 0.702 5.113) 10.117 11.420 ( -5.674 0.660 -7.801) 9.669 11.882 ( -9.147 3.136 0.275) 9.674 11.943 ( -5.817 -1.232 -3.333) 6.816 12.160 ( -0.704 -1.520 0.713) 1.821 12.305 ( -4.080 4.344 2.984) 6.665 12.371 ( -1.961 -2.317 2.419) 3.881 12.625 ( -3.371 4.315 -3.673) 6.593 12.683 ( -5.988 -0.378 -0.807) 6.054 12.792 ( -3.907 0.910 3.198) 5.131 12.836 ( -4.820 -2.654 -2.895) 6.217 12.963 ( -1.508 3.443 -1.346) 3.993 13.098 ( 1.357 0.992 -0.112) 1.685 13.145 ( -3.457 1.056 0.599) 3.664 13.170 ( 3.301 -3.746 1.226) 5.142 13.202 ( -4.184 1.192 1.713) 4.675 13.304 ( -4.182 -6.977 0.511) 8.150 13.477 ( 4.686 -1.521 -3.171) 5.859 13.933 ( 3.127 0.496 10.190) 10.671 13.976 ( 2.966 -1.202 -4.453) 5.484 14.660 ( 8.589 -0.185 3.462) 9.262 14.877 ( 6.628 -0.170 -2.546) 7.103 15.185 ( 0.706 0.920 1.138) 1.624 15.385 ( 3.309 0.674 -6.183) 7.045 15.963 ( -2.601 0.712 6.861) 7.372 16.132 ( 3.080 0.792 -5.350) 6.224 ======================= Grid point 139 (50/168) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 39.115 -3.532 16.796) 42.715 4.188 ( 40.287 0.957 9.135) 41.321 4.720 ( 26.397 -2.810 -14.850) 30.417 4.853 ( 8.483 -0.604 -27.549) 28.832 5.485 ( 11.914 6.724 -5.448) 14.726 5.688 ( 11.028 -5.386 5.811) 13.579 6.103 ( -4.895 7.977 8.670) 12.757 6.130 ( -5.946 -0.212 -4.817) 7.655 6.158 ( 48.552 -11.932 7.906) 50.618 6.343 ( 8.136 -2.811 7.378) 11.337 6.523 ( 2.288 -8.028 0.513) 8.364 6.793 ( -2.737 5.872 -11.734) 13.404 6.811 ( 13.853 -4.834 3.224) 15.022 7.037 ( 4.465 -8.113 -7.507) 11.921 7.173 ( -12.877 12.306 -5.611) 18.674 7.388 ( -3.458 3.744 9.546) 10.822 7.671 ( -5.236 -4.419 6.507) 9.449 7.725 ( -7.367 -8.477 -12.770) 17.007 8.075 ( -4.507 2.900 -4.405) 6.938 8.252 ( -13.680 0.767 -1.982) 13.844 8.351 ( -6.805 2.091 2.692) 7.611 8.533 ( -12.324 0.783 10.012) 15.898 8.938 ( -1.990 0.525 7.655) 7.927 8.994 ( 3.248 -1.806 14.125) 14.605 9.330 ( 4.292 3.394 -3.235) 6.356 9.833 ( 4.371 1.344 -5.352) 7.040 9.885 ( -0.841 -3.363 6.995) 7.807 10.136 ( 3.743 3.729 -7.551) 9.216 10.201 ( 1.659 -1.605 -1.677) 2.853 10.433 ( -1.139 5.096 0.866) 5.293 10.555 ( -1.353 -1.108 1.975) 2.638 10.745 ( 0.467 -7.605 -2.359) 7.976 10.867 ( -2.554 1.830 -4.226) 5.266 10.999 ( -3.483 -4.758 -0.843) 5.956 11.037 ( 0.251 4.843 3.252) 5.839 11.316 ( -5.531 0.363 -3.861) 6.755 11.722 ( -5.786 2.484 -0.788) 6.346 11.868 ( -3.658 -1.673 -1.986) 4.486 12.154 ( -1.442 -0.324 -0.351) 1.519 12.196 ( -2.850 3.152 0.134) 4.252 12.344 ( -2.282 1.545 2.977) 4.057 12.538 ( -2.221 1.759 -2.893) 4.049 12.601 ( -3.305 0.291 1.022) 3.472 12.695 ( -5.008 1.787 3.832) 6.554 12.768 ( -4.192 -1.586 -5.754) 7.293 12.848 ( -7.379 2.199 -2.011) 7.958 13.044 ( -4.786 -2.265 2.609) 5.903 13.109 ( -0.582 1.651 -1.976) 2.640 13.138 ( 0.371 -0.482 5.347) 5.381 13.293 ( 1.536 -6.092 -0.478) 6.300 13.335 ( 2.138 -3.036 0.564) 3.756 13.579 ( 4.505 -1.079 -2.293) 5.168 13.992 ( 3.597 1.072 10.246) 10.912 14.082 ( 6.521 -2.580 -5.191) 8.724 14.815 ( 7.897 0.004 1.555) 8.048 14.984 ( 4.564 -0.585 -1.140) 4.740 15.165 ( -1.807 1.521 1.892) 3.026 15.424 ( 1.867 0.942 -7.372) 7.663 15.897 ( -3.922 1.364 8.453) 9.418 16.174 ( 2.568 1.168 -5.768) 6.420 ======================= Grid point 140 (51/168) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( 38.550 -2.363 11.043) 40.170 4.749 ( 10.836 -2.326 -5.759) 12.490 4.936 ( 9.517 2.799 -0.604) 9.939 5.053 ( 10.856 5.264 -8.697) 14.873 5.600 ( 3.247 7.714 -12.991) 15.453 5.730 ( -8.592 -0.481 -7.245) 11.249 5.901 ( -1.708 0.609 -4.475) 4.828 6.207 ( 4.294 -0.628 5.027) 6.641 6.238 ( -8.167 5.575 0.767) 9.918 6.402 ( -9.812 -10.586 0.267) 14.436 6.642 ( -15.499 4.563 -3.607) 16.555 6.798 ( -3.853 0.062 -3.379) 5.126 6.863 ( -1.737 -4.999 5.653) 7.743 6.972 ( -2.848 -5.952 4.083) 7.759 7.244 ( 15.251 -7.547 6.632) 18.263 7.397 ( 8.601 -16.103 9.296) 20.487 7.639 ( -7.770 11.746 4.761) 14.866 7.912 ( 6.902 2.100 -3.495) 8.017 8.000 ( -4.124 2.833 -0.193) 5.007 8.041 ( 1.400 2.894 2.439) 4.035 8.218 ( -0.046 -3.099 -5.469) 6.287 8.418 ( -3.367 -2.435 8.940) 9.858 8.908 ( 2.287 1.598 -0.076) 2.791 9.116 ( 6.666 2.571 1.707) 7.345 9.413 ( 8.808 6.228 -3.761) 11.424 9.740 ( -9.448 -3.159 2.920) 10.381 10.016 ( 7.108 1.112 -1.240) 7.301 10.155 ( 3.425 3.757 -10.569) 11.728 10.323 ( 6.683 -1.157 0.949) 6.848 10.388 ( 0.784 0.927 6.125) 6.244 10.559 ( 0.391 -3.225 1.379) 3.529 10.702 ( -5.536 -1.522 -2.305) 6.187 10.867 ( -1.483 0.173 0.232) 1.511 10.926 ( -1.973 -0.398 -1.970) 2.817 11.101 ( 3.650 -3.654 1.891) 5.500 11.191 ( -7.532 0.983 -1.247) 7.698 11.613 ( -3.630 2.925 -2.102) 5.113 11.841 ( -2.399 -3.598 -0.798) 4.398 12.100 ( -0.967 2.430 -1.709) 3.124 12.193 ( 1.009 -2.352 -1.558) 2.996 12.276 ( -1.335 4.446 3.052) 5.556 12.485 ( -3.736 2.351 -0.125) 4.416 12.533 ( -4.442 -0.302 0.334) 4.464 12.648 ( 0.525 -0.983 1.680) 2.016 12.667 ( -3.733 2.330 -1.658) 4.702 12.760 ( -2.782 -3.441 -3.755) 5.803 13.002 ( -1.170 -0.484 0.101) 1.270 13.087 ( -0.102 0.526 1.162) 1.280 13.204 ( 4.914 -0.982 4.178) 6.524 13.318 ( -1.513 -2.094 -1.178) 2.840 13.417 ( 2.867 -2.212 1.004) 3.758 13.643 ( 3.238 2.320 -1.455) 4.241 14.047 ( 2.769 0.832 8.400) 8.884 14.222 ( 5.039 -3.550 -4.626) 7.707 14.932 ( 4.461 0.080 -0.222) 4.467 15.043 ( 1.014 -0.490 -0.134) 1.134 15.105 ( -2.696 1.119 2.780) 4.031 15.433 ( 0.216 0.663 -8.056) 8.086 15.804 ( -5.206 0.980 8.881) 10.341 16.198 ( 1.163 0.729 -5.219) 5.397 ======================= Grid point 141 (52/168) ======================= q-point: (-0.55 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( -17.913 12.144 1.556) 21.697 4.937 ( -13.499 11.777 -3.518) 18.256 5.170 ( 29.635 0.111 8.730) 30.894 5.202 ( 13.335 -2.810 0.939) 13.660 5.473 ( -15.057 -0.715 -13.903) 20.506 5.590 ( 2.578 0.008 -7.513) 7.943 5.887 ( -12.815 0.869 -6.867) 14.564 5.965 ( -4.312 2.504 -5.909) 7.732 6.160 ( -7.292 1.317 -5.256) 9.085 6.419 ( -11.375 -7.876 -8.341) 16.155 6.468 ( -3.785 -11.098 7.178) 13.748 6.715 ( 2.675 -14.198 -0.174) 14.449 6.916 ( 2.330 -13.197 16.112) 20.957 7.089 ( -3.614 -5.903 -0.779) 6.965 7.224 ( -12.976 8.372 9.595) 18.181 7.440 ( 2.921 1.401 5.996) 6.816 7.704 ( 4.097 -0.965 9.340) 10.245 7.804 ( -6.933 5.423 -1.582) 8.943 8.028 ( 4.516 3.468 -5.534) 7.940 8.092 ( 13.571 0.926 8.082) 15.822 8.314 ( -0.852 6.106 -2.634) 6.704 8.467 ( 9.182 -1.807 1.027) 9.415 8.970 ( 5.210 5.936 -1.833) 8.108 9.134 ( 0.502 10.091 -5.601) 11.552 9.425 ( -3.967 2.551 1.535) 4.960 9.712 ( 6.470 0.545 -3.770) 7.508 10.041 ( -1.140 0.836 -0.732) 1.592 10.175 ( 0.830 5.149 -3.674) 6.379 10.306 ( -3.205 2.331 -1.972) 4.427 10.497 ( 2.819 -1.740 5.456) 6.383 10.573 ( -0.436 -0.349 1.989) 2.066 10.717 ( 4.555 -3.471 2.333) 6.184 10.829 ( -2.513 -0.702 -1.424) 2.972 10.922 ( 0.557 -4.159 -5.423) 6.857 11.063 ( -5.183 -2.965 -0.282) 5.978 11.206 ( 3.261 -4.284 5.175) 7.467 11.546 ( -1.173 1.546 -1.506) 2.457 11.829 ( -1.722 -2.894 -1.652) 3.751 12.098 ( 0.946 -1.586 -1.005) 2.102 12.236 ( 2.817 1.487 -4.406) 5.437 12.254 ( 1.758 0.959 3.883) 4.369 12.317 ( -8.330 4.550 1.496) 9.608 12.519 ( 0.341 -3.770 -1.307) 4.005 12.634 ( 0.242 0.643 0.046) 0.689 12.690 ( 0.018 -4.832 -2.149) 5.288 12.787 ( 3.992 -0.989 0.562) 4.150 13.004 ( 2.891 3.831 -2.899) 5.607 13.102 ( 1.257 -1.175 3.027) 3.483 13.288 ( -0.563 2.006 3.374) 3.965 13.325 ( 6.721 0.389 0.577) 6.757 13.469 ( 1.243 -1.336 0.447) 1.879 13.662 ( 3.179 5.665 -1.641) 6.700 14.055 ( -1.540 2.171 6.273) 6.814 14.291 ( -0.583 -2.026 -3.349) 3.957 14.939 ( -4.138 -0.694 0.314) 4.207 15.040 ( -0.709 -0.327 -0.233) 0.814 15.080 ( -0.115 0.186 2.622) 2.631 15.418 ( -1.285 -0.098 -8.647) 8.743 15.717 ( -4.035 -1.218 7.923) 8.974 16.201 ( -0.529 -0.430 -3.853) 3.913 ======================= Grid point 142 (53/168) ======================= q-point: (-0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( -25.678 19.695 11.506) 34.346 4.379 ( -31.712 15.156 5.687) 35.605 5.069 ( -25.944 2.006 -19.389) 32.451 5.310 ( 1.602 2.218 -9.447) 9.835 5.490 ( -4.602 1.128 2.816) 5.512 5.774 ( -3.326 -0.349 -15.165) 15.529 5.829 ( 10.222 -3.078 -3.352) 11.189 5.864 ( 12.281 -1.574 9.274) 15.470 6.019 ( -7.307 -6.627 -4.178) 10.713 6.369 ( -12.509 -2.995 3.788) 13.409 6.484 ( -6.003 -11.300 -0.346) 12.800 6.724 ( -9.936 -9.930 1.249) 14.102 6.856 ( -2.323 1.073 3.011) 3.951 7.102 ( -7.847 -0.877 -0.809) 7.937 7.311 ( 8.070 -19.468 16.527) 26.782 7.440 ( -3.292 7.814 10.438) 13.448 7.525 ( 3.753 5.835 -3.024) 7.568 7.852 ( 4.766 5.354 0.159) 7.170 8.021 ( -0.887 7.337 -6.821) 10.056 8.203 ( -0.144 9.636 -1.168) 9.708 8.387 ( 14.443 -1.701 4.036) 15.092 8.590 ( 2.565 1.652 -1.999) 3.648 8.897 ( -3.278 10.880 -2.823) 11.708 9.026 ( 1.319 8.338 -1.396) 8.556 9.361 ( -1.762 -1.390 1.559) 2.732 9.791 ( 0.049 0.470 -4.762) 4.785 9.954 ( -6.201 2.609 2.674) 7.240 10.177 ( 6.725 3.597 -1.535) 7.779 10.295 ( 3.142 -0.139 -4.761) 5.706 10.442 ( -6.016 2.137 5.976) 8.745 10.576 ( -1.289 -1.091 3.295) 3.703 10.751 ( -3.893 -1.383 -1.695) 4.466 10.831 ( 2.962 -3.654 2.187) 5.187 11.019 ( 0.853 -3.546 -3.693) 5.191 11.110 ( 5.443 -7.794 -0.777) 9.538 11.280 ( 1.295 -2.896 1.580) 3.544 11.559 ( 3.706 -0.619 0.397) 3.778 11.850 ( 1.334 -3.790 -0.766) 4.090 12.135 ( -2.002 2.488 -1.353) 3.468 12.169 ( 0.149 -1.778 0.186) 1.794 12.284 ( 3.074 -0.674 -0.434) 3.177 12.322 ( 4.422 -1.939 2.614) 5.490 12.577 ( 1.514 -4.339 -1.316) 4.780 12.645 ( 1.522 0.822 0.485) 1.796 12.735 ( 0.206 -5.865 -2.885) 6.540 12.886 ( 5.281 0.060 -0.912) 5.360 13.032 ( 5.048 6.983 -2.195) 8.892 13.143 ( 1.888 -0.884 2.797) 3.489 13.253 ( -0.455 2.139 2.959) 3.679 13.432 ( 5.501 5.764 3.057) 8.534 13.491 ( 0.700 -1.213 -2.142) 2.559 13.678 ( 5.704 7.592 -1.899) 9.684 13.948 ( -6.713 4.658 4.665) 9.409 14.238 ( -5.390 0.096 -1.427) 5.576 14.833 ( -7.650 -0.466 2.128) 7.954 14.997 ( -4.385 -0.743 -0.208) 4.453 15.092 ( 0.490 -0.984 1.215) 1.638 15.382 ( -3.360 -2.114 -7.917) 8.856 15.704 ( 0.391 -2.964 4.945) 5.779 16.186 ( -2.075 -1.684 -2.177) 3.446 ======================= Grid point 143 (54/168) ======================= q-point: (-0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -28.773 25.928 17.357) 42.443 3.592 ( -37.073 19.334 13.903) 44.063 4.503 ( -28.698 8.254 -24.433) 38.583 5.171 ( -12.843 12.412 7.680) 19.442 5.343 ( -6.975 4.678 -23.805) 25.243 5.550 ( -20.815 5.952 -0.851) 21.666 5.791 ( -10.558 3.032 11.598) 15.974 5.915 ( -20.462 13.495 4.940) 25.004 6.050 ( -4.293 -7.654 -0.342) 8.782 6.215 ( 3.976 0.261 9.662) 10.452 6.453 ( 3.521 -11.838 -12.609) 17.650 6.679 ( -2.586 -6.272 -5.136) 8.509 6.904 ( 2.686 1.989 -2.658) 4.270 6.932 ( -10.774 4.893 5.798) 13.177 7.117 ( -12.788 6.026 -6.013) 15.363 7.571 ( 9.823 2.366 0.359) 10.110 7.680 ( -0.411 -2.897 5.922) 6.605 7.851 ( 3.804 9.354 4.480) 11.048 8.040 ( 4.174 -8.791 -6.862) 11.907 8.179 ( 9.997 0.532 0.615) 10.030 8.425 ( -7.209 -2.237 1.621) 7.720 8.641 ( 7.013 5.612 -8.775) 12.557 8.968 ( 13.734 -4.148 10.138) 17.567 9.032 ( 3.440 1.147 0.503) 3.661 9.381 ( 1.722 -2.598 2.334) 3.894 9.729 ( -3.583 -1.839 -4.424) 5.983 9.909 ( 0.562 -0.685 4.442) 4.530 10.146 ( -4.802 2.931 -1.781) 5.901 10.335 ( -3.305 2.296 -0.255) 4.032 10.458 ( 9.517 -1.431 2.599) 9.969 10.559 ( -1.294 -0.226 2.549) 2.867 10.676 ( -5.910 -3.396 -0.128) 6.818 10.910 ( 1.509 -2.451 1.407) 3.203 11.058 ( 1.862 -1.194 -6.487) 6.854 11.195 ( -0.394 -0.443 1.286) 1.416 11.386 ( 6.878 -6.125 -3.692) 9.922 11.703 ( 10.046 -2.912 1.698) 10.597 11.944 ( 3.602 -6.205 1.865) 7.413 12.073 ( -1.063 0.617 -1.253) 1.755 12.238 ( 2.353 -2.422 0.650) 3.439 12.362 ( 3.503 -2.760 2.755) 5.241 12.445 ( 5.965 -3.306 -0.136) 6.822 12.640 ( 0.883 -5.079 -1.498) 5.368 12.674 ( 2.293 0.353 0.996) 2.524 12.805 ( 2.124 -5.337 -2.615) 6.312 12.968 ( 5.018 2.037 -2.838) 6.114 13.032 ( 0.937 5.715 -0.452) 5.809 13.157 ( -1.178 1.150 3.878) 4.213 13.270 ( 4.187 1.564 0.305) 4.480 13.399 ( -1.956 4.385 0.014) 4.801 13.528 ( 3.303 3.687 -0.145) 4.952 13.720 ( 4.137 10.690 -5.561) 12.740 13.765 ( -5.517 4.337 5.834) 9.126 14.136 ( -4.515 0.324 0.719) 4.583 14.684 ( -8.382 0.703 2.826) 8.874 14.904 ( -5.949 -0.235 -0.786) 6.006 15.105 ( -0.835 -2.268 0.834) 2.556 15.336 ( -4.367 -4.014 -5.811) 8.303 15.770 ( 3.452 -2.754 1.798) 4.768 16.155 ( -3.177 -2.377 -0.814) 4.051 ======================= Grid point 144 (55/168) ======================= q-point: (-0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -25.298 33.821 21.152) 47.236 2.749 ( -33.860 24.402 25.791) 49.063 3.920 ( -22.526 14.044 -28.560) 38.992 4.529 ( -46.602 41.351 12.814) 63.607 4.833 ( -21.761 17.449 11.236) 30.071 4.960 ( -22.364 24.140 -27.077) 42.616 5.435 ( -14.845 14.092 12.601) 24.036 5.547 ( -22.402 9.330 10.482) 26.434 5.982 ( -0.871 -1.587 4.052) 4.438 6.282 ( -0.755 -0.819 -2.894) 3.101 6.486 ( -14.278 9.056 -21.410) 27.282 6.580 ( -11.729 2.466 -3.641) 12.526 6.672 ( -6.265 -4.086 -17.864) 19.367 6.884 ( 8.059 -10.523 -4.061) 13.863 7.163 ( 16.003 7.536 10.758) 20.703 7.635 ( 1.330 3.287 4.351) 5.612 7.709 ( 3.943 6.978 -14.600) 16.655 7.874 ( 1.076 -16.921 9.091) 19.239 8.228 ( 2.925 -14.988 -4.344) 15.876 8.356 ( 0.014 -11.337 5.900) 12.781 8.565 ( 11.166 -7.782 4.227) 14.252 8.761 ( 11.795 -3.867 -3.136) 12.803 9.049 ( 0.911 1.009 6.816) 6.950 9.326 ( 16.000 -5.020 3.656) 17.163 9.467 ( 4.939 -3.598 2.408) 6.568 9.751 ( 3.517 -1.935 -2.479) 4.718 9.899 ( -3.369 1.467 1.902) 4.137 10.063 ( -2.168 -1.667 1.848) 3.300 10.260 ( -3.670 0.440 -3.933) 5.397 10.440 ( -5.783 0.228 3.002) 6.520 10.618 ( -5.321 -6.622 -0.205) 8.498 10.669 ( 9.270 3.353 5.206) 11.148 10.893 ( -5.459 -1.776 -0.708) 5.785 11.084 ( 3.129 5.611 -5.299) 8.328 11.239 ( 4.355 -3.003 0.141) 5.292 11.585 ( 7.767 -7.914 -6.087) 12.650 11.932 ( 10.937 -1.625 -1.035) 11.105 12.054 ( 1.882 -3.803 0.779) 4.314 12.098 ( 2.936 -5.111 1.582) 6.104 12.287 ( 0.970 -2.356 3.073) 3.992 12.436 ( 2.156 -1.083 2.838) 3.725 12.571 ( 4.069 -3.943 -0.232) 5.671 12.695 ( 0.910 -3.152 -1.453) 3.588 12.729 ( 1.635 -4.492 1.070) 4.899 12.881 ( 1.406 -0.780 -0.945) 1.865 12.979 ( -2.054 -0.994 -0.107) 2.284 13.034 ( 4.100 6.364 -0.646) 7.598 13.120 ( -0.594 -1.013 1.550) 1.944 13.290 ( -1.104 4.370 -2.165) 5.000 13.365 ( 2.718 1.312 -2.425) 3.871 13.520 ( -3.455 2.745 2.281) 4.967 13.571 ( -0.655 8.457 -2.479) 8.837 13.773 ( 5.605 8.386 -0.305) 10.091 14.080 ( -1.699 0.062 0.993) 1.969 14.534 ( -6.452 2.168 3.083) 7.472 14.801 ( -4.883 0.504 -1.458) 5.121 15.103 ( -1.706 -2.665 0.782) 3.260 15.292 ( -4.171 -4.017 -4.092) 7.091 15.862 ( 3.979 -2.060 0.289) 4.490 16.115 ( -3.344 -2.344 -0.147) 4.087 ======================= Grid point 145 (56/168) ======================= q-point: (-0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -9.654 46.277 23.649) 52.858 2.009 ( -21.075 28.373 44.055) 56.481 3.104 ( -54.055 58.200 21.842) 82.379 3.473 ( -9.175 18.375 -31.822) 37.874 4.153 ( -30.144 36.744 -26.659) 54.494 4.438 ( -8.992 16.572 16.178) 24.844 4.863 ( -21.743 29.017 19.744) 41.287 5.114 ( -14.569 10.644 3.618) 18.402 5.826 ( -8.940 26.883 -3.483) 28.544 6.102 ( -7.205 -0.451 -27.351) 28.288 6.311 ( -3.843 -5.033 -20.316) 21.280 6.512 ( 2.025 -11.084 -0.208) 11.270 6.754 ( 0.972 -10.329 -0.419) 10.383 7.040 ( 0.751 -4.577 -4.802) 6.676 7.436 ( 17.538 4.014 15.506) 23.751 7.610 ( 3.819 7.911 6.004) 10.641 7.808 ( 6.136 -8.091 -14.192) 17.451 8.066 ( -1.810 -23.777 -0.090) 23.846 8.352 ( -2.070 -12.946 2.400) 13.328 8.512 ( 1.418 -16.402 1.151) 16.504 8.718 ( 4.575 -0.523 -0.175) 4.608 9.036 ( 3.460 -0.372 7.590) 8.350 9.105 ( 6.410 -12.443 4.408) 14.675 9.567 ( 8.951 2.823 0.344) 9.392 9.628 ( 6.678 -4.457 4.750) 9.329 9.751 ( -4.580 6.410 0.608) 7.901 9.858 ( 2.685 0.639 -0.532) 2.810 10.079 ( 1.056 -2.902 -2.147) 3.761 10.182 ( -3.995 -1.521 -1.923) 4.687 10.426 ( 4.195 -2.680 1.334) 5.153 10.575 ( -6.686 -8.263 -0.780) 10.658 10.758 ( 0.501 2.017 8.939) 9.178 10.789 ( -2.772 1.741 -2.405) 4.062 11.081 ( 1.542 4.633 -1.241) 5.038 11.336 ( 1.381 -3.171 0.401) 3.482 11.747 ( 1.217 -5.162 -16.219) 17.064 12.053 ( 3.992 1.593 -2.203) 4.830 12.167 ( 6.313 -1.496 2.453) 6.936 12.188 ( 2.939 -3.057 0.807) 4.317 12.343 ( 1.667 -4.560 3.941) 6.253 12.462 ( 0.970 0.368 3.378) 3.534 12.679 ( 2.741 -7.143 1.000) 7.716 12.729 ( 0.481 -2.056 -0.228) 2.123 12.779 ( -1.255 -5.012 0.072) 5.167 12.843 ( -2.422 2.434 2.024) 3.985 12.985 ( -2.419 -2.902 -1.818) 4.193 12.993 ( 0.264 5.733 3.630) 6.791 13.166 ( 2.670 -0.354 -3.560) 4.464 13.232 ( 0.425 5.236 -3.900) 6.543 13.353 ( -4.117 3.338 -5.105) 7.359 13.471 ( 4.586 1.039 1.308) 4.880 13.544 ( 0.916 3.442 -0.471) 3.593 13.787 ( 4.149 9.107 0.890) 10.047 14.072 ( -0.474 -2.965 -1.078) 3.190 14.425 ( -2.757 3.238 3.430) 5.463 14.721 ( -2.349 2.745 -2.934) 4.654 15.095 ( -1.503 -2.334 0.872) 2.910 15.257 ( -2.947 -3.222 -3.249) 5.443 15.943 ( 3.043 -1.734 0.305) 3.516 16.081 ( -2.225 -1.721 -0.236) 2.823 ======================= Grid point 146 (57/168) ======================= q-point: (-0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -17.426 48.795 27.244) 58.539 1.496 ( 11.696 41.833 40.031) 59.070 1.995 ( 6.485 49.245 59.587) 77.575 3.302 ( 11.155 20.168 -32.492) 39.836 3.401 ( -14.113 29.179 -31.613) 45.276 4.217 ( -0.704 14.774 17.037) 22.561 4.404 ( 0.727 22.487 18.935) 29.406 4.863 ( 0.151 11.837 5.473) 13.042 5.492 ( -1.799 20.635 -7.632) 22.075 5.948 ( -5.771 4.306 -52.250) 52.744 6.333 ( -3.437 -10.877 1.869) 11.559 6.673 ( 2.957 -6.847 3.066) 8.064 6.845 ( -0.553 -8.727 0.437) 8.755 7.026 ( -2.650 0.041 -4.669) 5.368 7.587 ( 6.269 5.807 2.428) 8.883 7.786 ( 16.135 -0.009 24.452) 29.296 8.017 ( 6.264 -11.901 -13.447) 19.018 8.204 ( -6.078 -22.904 -5.209) 24.263 8.414 ( -3.808 -13.204 4.066) 14.331 8.618 ( -0.430 -5.097 -5.408) 7.444 8.772 ( -1.584 -2.745 3.622) 4.813 9.031 ( -2.491 0.154 3.771) 4.522 9.258 ( -4.298 -10.987 8.549) 14.569 9.527 ( -6.238 4.183 -2.868) 8.040 9.687 ( 2.400 4.009 1.111) 4.803 9.747 ( -1.158 1.400 9.746) 9.914 9.838 ( 1.956 3.615 -2.423) 4.772 10.149 ( 4.506 -1.787 -5.143) 7.067 10.179 ( -0.544 -0.059 0.053) 0.549 10.502 ( -9.460 -7.044 -3.429) 12.283 10.577 ( 4.629 -4.760 2.526) 7.104 10.681 ( -3.070 -0.003 -0.406) 3.097 10.779 ( 1.019 2.673 6.987) 7.550 11.053 ( -1.048 2.432 -0.614) 2.719 11.326 ( -1.680 -1.386 1.209) 2.491 11.675 ( -4.150 8.323 -18.493) 20.700 12.103 ( 3.153 2.877 0.137) 4.271 12.157 ( -3.408 -1.008 -1.175) 3.743 12.366 ( -1.126 -2.233 1.111) 2.737 12.379 ( 8.438 -1.457 0.378) 8.571 12.484 ( -0.148 -0.228 5.231) 5.238 12.735 ( -0.306 -2.319 0.761) 2.459 12.769 ( -1.771 -1.669 -0.380) 2.463 12.790 ( -0.092 -2.883 1.080) 3.080 12.839 ( 1.577 -6.401 0.587) 6.619 12.902 ( -2.686 1.719 0.566) 3.239 12.998 ( 0.137 0.799 0.987) 1.277 13.175 ( 0.228 3.947 -3.127) 5.041 13.222 ( -1.217 8.153 -4.049) 9.184 13.264 ( 4.304 0.354 -7.764) 8.885 13.526 ( -1.510 -0.284 1.013) 1.840 13.552 ( 2.543 0.254 0.460) 2.597 13.784 ( 4.364 6.760 3.461) 8.759 14.098 ( -1.175 -4.067 -3.118) 5.258 14.381 ( 0.464 2.436 4.380) 5.033 14.658 ( -0.783 4.929 -5.534) 7.452 15.096 ( -0.181 -1.625 0.932) 1.882 15.246 ( -0.632 -2.277 -3.230) 4.003 16.000 ( 1.433 -1.506 1.058) 2.332 16.065 ( -0.967 -0.971 -0.742) 1.559 ======================= Grid point 149 (58/168) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 40.244 0.000 17.038) 43.703 4.201 ( 37.007 0.000 8.356) 37.938 4.695 ( 29.962 0.000 -14.625) 33.341 4.856 ( 10.284 0.000 -27.164) 29.045 5.576 ( 1.213 0.000 -4.755) 4.907 5.610 ( 20.575 0.000 6.168) 21.480 6.026 ( 62.196 0.000 9.504) 62.918 6.112 ( -9.496 -0.000 -6.564) 11.544 6.185 ( 4.776 0.000 10.971) 11.966 6.378 ( -8.094 -0.000 10.616) 13.350 6.419 ( 4.842 0.000 -2.809) 5.598 6.707 ( 24.144 0.000 2.182) 24.243 6.874 ( -4.084 -0.000 -11.197) 11.919 6.956 ( 8.577 0.000 -7.756) 11.564 7.367 ( -26.980 -0.000 -13.476) 30.158 7.428 ( -20.913 -0.000 16.651) 26.733 7.575 ( 2.651 0.000 -15.584) 15.808 7.627 ( 3.415 0.000 3.835) 5.135 8.116 ( -6.875 -0.000 -5.228) 8.637 8.219 ( -5.143 -0.000 -8.873) 10.256 8.411 ( -11.617 -0.000 12.106) 16.778 8.541 ( -15.006 -0.000 10.946) 18.574 8.935 ( -2.681 -0.000 7.922) 8.363 8.978 ( 5.029 0.000 17.088) 17.813 9.363 ( 5.262 0.000 -3.648) 6.403 9.840 ( -6.034 -0.000 1.548) 6.230 9.861 ( 10.522 0.000 -0.439) 10.531 10.178 ( -0.126 -0.000 -6.658) 6.659 10.183 ( 3.789 0.000 -2.158) 4.360 10.509 ( -1.823 -0.000 -1.398) 2.297 10.545 ( -1.953 -0.000 2.344) 3.051 10.643 ( 1.819 0.000 -1.212) 2.186 10.903 ( -2.703 -0.000 -3.663) 4.552 10.930 ( -1.278 -0.000 -3.356) 3.591 11.092 ( -1.702 -0.000 6.437) 6.659 11.311 ( -6.227 -0.000 -5.134) 8.070 11.734 ( -7.030 -0.000 0.554) 7.052 11.866 ( -3.390 -0.000 -5.490) 6.452 12.137 ( -1.186 -0.000 1.263) 1.733 12.247 ( -4.174 -0.000 -0.062) 4.175 12.345 ( -0.550 -0.000 3.000) 3.050 12.557 ( -5.423 -0.000 -1.126) 5.538 12.603 ( -2.269 -0.000 -3.124) 3.861 12.726 ( -4.194 -0.000 5.184) 6.668 12.737 ( -3.863 -0.000 -5.210) 6.486 12.880 ( -8.418 -0.000 -0.973) 8.474 13.019 ( -6.366 -0.000 2.206) 6.738 13.117 ( -2.024 -0.000 5.417) 5.782 13.128 ( 0.039 0.000 -3.159) 3.159 13.253 ( 6.116 0.000 2.143) 6.481 13.299 ( 2.817 0.000 -0.695) 2.902 13.567 ( 5.660 0.000 -2.491) 6.184 14.003 ( 3.609 0.000 10.946) 11.526 14.058 ( 6.185 0.000 -5.820) 8.493 14.815 ( 8.008 0.000 1.454) 8.138 14.978 ( 4.412 0.000 -1.161) 4.562 15.179 ( -1.942 -0.000 2.116) 2.872 15.432 ( 1.626 0.000 -7.582) 7.755 15.910 ( -4.020 -0.000 8.494) 9.397 16.185 ( 2.315 0.000 -5.825) 6.268 ======================= Grid point 150 (59/168) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.444 ( 40.163 -0.828 11.484) 41.781 4.718 ( 18.061 -0.890 -4.948) 18.747 4.992 ( 6.565 2.467 -3.616) 7.891 5.143 ( 18.340 3.519 -7.867) 20.264 5.645 ( 6.810 -0.974 -12.294) 14.088 5.808 ( -3.041 7.544 -10.945) 13.636 5.895 ( -13.124 0.633 0.907) 13.171 6.057 ( -6.240 -13.113 8.473) 16.813 6.261 ( -3.955 1.951 8.794) 9.838 6.450 ( -18.804 6.984 -10.989) 22.872 6.667 ( 0.719 -5.921 6.886) 9.110 6.760 ( -21.053 2.055 -19.726) 28.923 6.835 ( -9.396 1.906 7.577) 12.220 6.925 ( -16.805 -1.117 2.903) 17.091 7.127 ( 25.905 -9.745 5.337) 28.187 7.170 ( 21.377 -3.736 8.480) 23.299 7.780 ( 1.823 3.959 0.671) 4.410 7.937 ( 1.801 1.092 0.736) 2.231 8.031 ( -3.671 0.142 -2.462) 4.422 8.073 ( 8.162 0.811 -1.214) 8.292 8.220 ( -2.279 2.356 -0.898) 3.399 8.365 ( -3.514 -2.965 13.974) 14.711 8.918 ( 2.218 0.045 2.465) 3.316 9.155 ( 11.540 1.357 4.884) 12.604 9.502 ( 11.106 3.083 -6.051) 13.018 9.698 ( -9.435 -1.451 4.019) 10.358 10.056 ( 10.350 2.606 -4.476) 11.574 10.185 ( 1.160 -0.472 -9.528) 9.610 10.296 ( 8.440 -0.998 3.709) 9.273 10.439 ( -3.281 3.617 3.370) 5.933 10.513 ( -1.065 -1.494 -0.158) 1.841 10.646 ( -3.342 -3.647 -0.796) 5.010 10.875 ( -1.719 1.265 -1.827) 2.809 10.918 ( -1.290 -1.468 0.469) 2.010 11.072 ( 0.411 0.283 2.412) 2.463 11.185 ( -8.486 -0.978 -2.680) 8.953 11.633 ( -4.814 -0.536 -0.182) 4.847 11.810 ( -2.163 0.377 -4.292) 4.821 12.131 ( -0.027 -1.497 0.422) 1.556 12.170 ( -2.636 2.033 -2.084) 3.927 12.330 ( -0.620 0.981 3.750) 3.926 12.486 ( -2.979 -0.514 -1.076) 3.209 12.550 ( -4.539 0.972 0.801) 4.711 12.649 ( -2.632 1.431 0.227) 3.005 12.683 ( -3.592 -1.397 -1.503) 4.137 12.739 ( -3.183 0.847 -3.090) 4.516 12.968 ( -0.247 -1.877 3.854) 4.294 13.111 ( 0.766 1.946 -1.125) 2.375 13.159 ( 3.067 -3.302 0.558) 4.542 13.330 ( 3.320 2.629 1.550) 4.510 13.379 ( 4.349 -2.405 1.629) 5.230 13.667 ( 5.314 0.536 -2.303) 5.816 14.060 ( 2.448 0.472 9.889) 10.199 14.174 ( 5.364 -1.569 -5.822) 8.070 14.932 ( 4.214 0.012 -0.569) 4.252 15.033 ( 1.307 -0.421 0.180) 1.385 15.123 ( -3.410 0.632 3.263) 4.762 15.440 ( -0.209 0.215 -8.487) 8.493 15.817 ( -6.183 0.437 8.969) 10.903 16.208 ( 0.491 0.290 -5.369) 5.400 ======================= Grid point 151 (60/168) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( -6.443 12.086 -1.393) 13.767 5.125 ( 12.720 4.372 -3.253) 13.838 5.160 ( 13.347 -0.240 1.480) 13.430 5.193 ( 10.484 4.364 9.872) 15.047 5.476 ( -18.422 1.671 -6.314) 19.545 5.620 ( -2.676 3.556 -9.586) 10.568 5.853 ( -10.443 -3.508 -5.229) 12.195 5.988 ( -6.016 -4.505 3.200) 8.168 6.139 ( -10.686 -5.761 -11.130) 16.470 6.239 ( -13.432 -6.938 -16.566) 22.427 6.352 ( -17.159 0.385 6.613) 18.394 6.519 ( 2.659 -7.628 -1.339) 8.188 6.712 ( -3.130 -9.793 15.383) 18.502 6.961 ( 1.839 -6.504 -4.709) 8.237 7.381 ( -14.148 7.131 5.736) 16.850 7.448 ( 8.412 -0.057 11.465) 14.220 7.717 ( 9.093 3.209 4.562) 10.667 7.920 ( -8.973 6.801 -1.448) 11.351 8.003 ( 10.016 -4.270 3.658) 11.486 8.115 ( 8.796 -1.099 3.999) 9.725 8.361 ( -1.144 -0.148 5.810) 5.923 8.490 ( 16.770 4.003 -4.954) 17.939 9.037 ( 9.277 1.830 0.109) 9.457 9.293 ( 5.899 7.171 -3.432) 9.899 9.484 ( -8.325 3.103 3.633) 9.599 9.740 ( 12.011 2.159 -7.314) 14.228 10.087 ( -1.851 4.175 -5.308) 7.002 10.242 ( 3.157 1.893 -5.370) 6.511 10.350 ( -3.588 2.495 2.185) 4.886 10.462 ( 4.938 -1.832 3.621) 6.391 10.540 ( 0.773 -2.945 1.673) 3.474 10.642 ( 1.549 -4.246 3.010) 5.430 10.814 ( -2.271 -1.140 -2.792) 3.775 10.888 ( -1.922 0.458 -2.405) 3.112 11.013 ( -10.861 -2.290 -0.132) 11.100 11.123 ( 2.058 -4.479 3.707) 6.167 11.562 ( -3.059 -0.376 0.030) 3.082 11.784 ( -1.010 -1.138 -2.967) 3.334 12.109 ( -0.184 2.184 -2.811) 3.564 12.183 ( 1.313 -3.782 1.963) 4.459 12.322 ( 1.740 3.266 1.486) 3.987 12.393 ( -8.376 2.883 2.771) 9.281 12.462 ( -0.917 -2.133 -0.414) 2.359 12.625 ( -1.300 -2.002 -6.310) 6.746 12.647 ( 0.397 0.612 1.293) 1.484 12.768 ( 4.156 -1.298 -1.091) 4.489 13.022 ( 4.156 -0.722 4.252) 5.989 13.116 ( 2.300 2.290 -3.648) 4.882 13.284 ( 6.048 -3.952 -0.512) 7.243 13.354 ( 3.052 4.687 4.892) 7.431 13.464 ( 3.549 -0.268 2.289) 4.232 13.740 ( 4.587 3.045 -3.015) 6.277 14.081 ( -0.277 0.887 7.761) 7.816 14.253 ( 1.193 -1.981 -4.895) 5.414 14.929 ( -4.599 -0.396 0.073) 4.617 15.030 ( -2.013 -0.662 0.763) 2.252 15.088 ( 0.043 0.588 2.319) 2.393 15.420 ( -1.704 0.164 -9.085) 9.245 15.699 ( -6.332 -0.732 8.223) 10.405 16.196 ( -1.437 -0.155 -4.026) 4.278 ======================= Grid point 152 (61/168) ======================= q-point: (-0.55 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.387 ( -15.671 24.044 11.557) 30.940 4.671 ( -26.450 16.973 5.882) 31.973 5.112 ( -18.840 2.196 -14.939) 24.144 5.329 ( 6.061 -0.133 -10.237) 11.897 5.481 ( -7.525 -1.667 8.798) 11.697 5.698 ( -2.665 -5.929 -2.214) 6.867 5.803 ( 3.038 0.112 -18.233) 18.484 5.839 ( 6.397 -1.861 -1.114) 6.754 5.974 ( -5.789 -0.112 -11.031) 12.458 6.140 ( -7.620 -22.065 1.457) 23.389 6.298 ( 0.686 -6.450 6.721) 9.340 6.613 ( -5.678 -3.633 3.105) 7.422 6.860 ( -4.749 -3.319 0.820) 5.852 6.971 ( 5.902 -14.748 12.834) 20.422 7.125 ( -4.734 3.313 0.269) 5.784 7.569 ( 7.064 2.910 10.891) 13.303 7.633 ( -6.009 9.279 3.252) 11.524 7.933 ( 8.578 3.201 -4.102) 10.033 8.114 ( 1.647 1.167 -5.231) 5.607 8.286 ( -0.201 -0.902 0.358) 0.991 8.408 ( 13.590 4.993 8.732) 16.908 8.639 ( 4.582 4.728 -2.018) 6.886 9.086 ( -2.450 9.321 -1.068) 9.697 9.200 ( -2.764 9.206 -2.936) 10.051 9.375 ( -1.412 3.640 -0.257) 3.913 9.814 ( -3.181 2.388 -7.396) 8.397 10.008 ( -5.693 3.581 2.629) 7.221 10.234 ( 6.286 2.288 -0.947) 6.756 10.307 ( -0.054 1.681 -6.064) 6.293 10.484 ( -1.428 1.650 5.466) 5.885 10.546 ( -3.836 -1.549 3.548) 5.450 10.676 ( -8.107 -7.275 -1.051) 10.943 10.783 ( 0.781 -0.541 1.338) 1.641 10.922 ( -2.865 -8.681 -1.505) 9.265 10.983 ( 9.707 -4.549 -3.119) 11.165 11.199 ( 0.809 -5.427 1.872) 5.797 11.549 ( 1.447 -1.019 3.135) 3.600 11.796 ( 1.155 -2.179 -2.440) 3.469 12.118 ( 1.772 -0.648 -1.680) 2.526 12.213 ( -4.880 2.760 2.358) 6.082 12.255 ( 1.273 -2.077 2.883) 3.775 12.339 ( 2.742 2.716 -2.223) 4.454 12.504 ( 1.633 -3.616 0.570) 4.009 12.641 ( 0.899 -3.482 -4.929) 6.102 12.664 ( 1.575 0.435 1.375) 2.135 12.874 ( 5.581 -1.265 -1.484) 5.912 13.103 ( 3.841 0.976 4.468) 5.973 13.163 ( 5.656 3.063 -4.805) 8.029 13.321 ( 0.254 4.778 3.580) 5.976 13.449 ( 4.922 -2.635 0.535) 5.609 13.515 ( 3.772 3.212 3.406) 6.012 13.791 ( 5.714 4.995 -2.524) 7.998 14.019 ( -4.890 3.302 4.816) 7.616 14.236 ( -3.984 -0.323 -3.154) 5.091 14.825 ( -6.689 -0.456 1.723) 6.922 14.973 ( -5.029 -1.657 0.669) 5.337 15.083 ( -0.649 -0.092 0.887) 1.103 15.357 ( -5.188 -0.737 -7.352) 9.028 15.650 ( -0.372 -2.878 4.382) 5.256 16.161 ( -2.811 -1.078 -2.208) 3.733 ======================= Grid point 153 (62/168) ======================= q-point: (-0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( -17.285 33.302 17.755) 41.510 3.978 ( -29.187 23.723 14.346) 40.255 4.697 ( -18.129 12.766 -22.124) 31.323 5.336 ( -8.185 -4.280 5.048) 10.526 5.381 ( 0.690 9.492 -7.959) 12.406 5.613 ( -12.076 2.240 -21.945) 25.148 5.745 ( -2.271 -5.428 -2.661) 6.457 5.867 ( 0.658 -10.835 -2.636) 11.170 6.055 ( -9.501 -3.634 1.746) 10.321 6.244 ( 3.218 -2.846 6.300) 7.625 6.353 ( -5.558 2.127 6.142) 8.552 6.485 ( -2.339 -9.459 0.247) 9.747 6.919 ( -0.464 -5.710 1.247) 5.863 7.003 ( 8.030 7.532 1.007) 11.055 7.130 ( -8.304 -5.584 8.399) 13.064 7.578 ( 7.874 5.096 5.484) 10.865 7.725 ( 9.107 3.421 1.288) 9.813 7.930 ( -3.154 -0.649 -6.738) 7.468 8.056 ( -0.203 8.730 -4.412) 9.783 8.248 ( -1.075 6.382 1.396) 6.621 8.489 ( -10.173 7.612 0.108) 12.706 8.709 ( 12.518 0.475 -3.112) 12.908 8.923 ( -0.532 3.143 -2.074) 3.803 9.096 ( -0.956 5.570 2.831) 6.321 9.352 ( 0.658 -0.498 1.314) 1.551 9.681 ( -8.127 -3.056 -4.716) 9.880 9.904 ( -1.292 0.482 5.065) 5.249 10.202 ( -8.368 2.756 -2.875) 9.268 10.371 ( -5.898 1.419 -0.333) 6.075 10.412 ( 4.575 -4.308 3.744) 7.315 10.528 ( -1.325 -3.374 0.459) 3.654 10.600 ( -2.974 -4.391 0.824) 5.367 10.828 ( -1.435 -6.390 1.278) 6.673 10.997 ( 4.450 -5.058 -3.178) 7.449 11.183 ( 4.922 -1.093 -1.825) 5.362 11.265 ( 3.496 -7.271 -2.287) 8.386 11.642 ( 6.287 -3.665 5.752) 9.276 11.868 ( 4.072 -2.988 -1.185) 5.188 12.104 ( -2.627 1.855 1.257) 3.453 12.183 ( 2.752 -1.727 -0.596) 3.303 12.325 ( 2.879 -1.709 1.652) 3.734 12.398 ( 4.315 -2.267 -0.964) 4.969 12.561 ( 0.893 -3.717 0.086) 3.823 12.688 ( 2.143 0.894 0.229) 2.333 12.718 ( 3.407 -3.881 -2.511) 5.742 12.977 ( 4.788 -0.190 -1.521) 5.027 13.129 ( 0.804 3.481 2.486) 4.353 13.211 ( 1.428 5.066 -2.043) 5.646 13.307 ( 3.521 2.456 2.322) 4.881 13.459 ( -2.127 2.266 -0.420) 3.136 13.575 ( 3.392 2.033 2.159) 4.506 13.834 ( -4.177 3.329 5.881) 7.945 13.893 ( 3.757 8.442 -5.102) 10.555 14.143 ( -4.657 0.401 -0.865) 4.754 14.700 ( -6.596 1.159 2.225) 7.056 14.891 ( -5.367 -1.335 -0.280) 5.537 15.068 ( -1.845 -1.771 0.819) 2.686 15.267 ( -5.959 -3.577 -4.902) 8.505 15.718 ( 4.001 -2.970 0.672) 5.028 16.116 ( -3.504 -1.957 -0.644) 4.065 ======================= Grid point 154 (63/168) ======================= q-point: (-0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -19.825 34.569 26.911) 48.086 3.252 ( -16.638 38.571 16.284) 45.053 4.257 ( -11.183 22.781 -26.349) 36.583 5.094 ( -11.138 20.697 11.320) 26.087 5.223 ( -19.640 16.655 6.787) 26.630 5.292 ( -9.876 15.621 -33.541) 38.296 5.599 ( -16.150 9.640 7.567) 20.273 5.761 ( -8.396 11.201 11.605) 18.183 5.952 ( -3.149 0.118 -1.745) 3.602 6.175 ( -2.021 -6.497 4.111) 7.950 6.351 ( 0.873 -13.770 -6.916) 15.434 6.628 ( 1.024 -11.558 -10.416) 15.593 6.796 ( -10.079 5.537 5.896) 12.924 6.857 ( -8.452 13.734 -13.187) 20.831 7.321 ( 18.979 9.073 7.512) 22.338 7.557 ( -10.076 -0.304 0.962) 10.126 7.709 ( 2.279 0.662 -8.167) 8.505 7.970 ( 0.384 -6.914 -3.137) 7.602 7.997 ( -1.467 11.742 1.959) 11.994 8.203 ( -12.829 -4.139 5.525) 14.569 8.366 ( 16.243 -11.970 3.969) 20.564 8.789 ( 3.504 4.258 -8.400) 10.048 9.057 ( -0.707 -0.824 1.205) 1.622 9.168 ( 14.195 -10.112 5.303) 18.217 9.416 ( 4.931 -3.005 2.307) 6.219 9.657 ( 0.497 -7.663 -3.309) 8.362 9.907 ( -1.291 -0.883 4.583) 4.843 10.049 ( -5.111 -0.226 1.865) 5.445 10.253 ( -7.362 -1.966 -3.476) 8.375 10.397 ( -7.237 -5.942 2.140) 9.605 10.481 ( -7.740 -7.781 -0.872) 11.010 10.723 ( 9.168 1.601 5.280) 10.700 10.823 ( -4.809 -5.679 -0.118) 7.443 11.146 ( 7.492 -2.187 -4.477) 8.997 11.206 ( 1.187 2.397 -2.433) 3.616 11.434 ( 5.105 -9.010 -2.578) 10.672 11.837 ( 8.566 -8.446 4.727) 12.925 11.984 ( 5.669 -2.866 0.535) 6.374 12.072 ( 0.408 1.016 -0.168) 1.108 12.247 ( 1.721 -2.421 0.390) 2.996 12.389 ( 1.927 -3.045 2.223) 4.234 12.507 ( 3.205 -3.823 0.282) 4.996 12.604 ( 0.221 -4.597 -0.366) 4.617 12.716 ( 1.506 0.346 1.082) 1.887 12.829 ( 5.027 -3.132 -3.892) 7.087 13.009 ( -1.757 3.007 1.912) 3.973 13.110 ( 1.774 1.531 0.027) 2.343 13.160 ( -0.376 5.606 0.563) 5.647 13.352 ( 1.339 2.576 -0.732) 2.994 13.396 ( -0.825 2.217 -3.554) 4.269 13.568 ( -2.233 2.970 4.426) 5.779 13.681 ( -4.304 4.252 1.296) 6.187 13.911 ( 2.998 6.269 -3.250) 7.672 14.098 ( 0.127 2.142 -0.327) 2.171 14.579 ( -4.466 2.949 2.334) 5.839 14.810 ( -3.349 0.521 -1.225) 3.604 15.052 ( -2.172 -2.967 0.974) 3.804 15.209 ( -4.606 -5.147 -3.469) 7.730 15.823 ( 4.485 -2.279 -0.529) 5.059 16.072 ( -3.370 -2.463 0.114) 4.176 ======================= Grid point 155 (64/168) ======================= q-point: (-0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -17.818 32.989 35.863) 51.884 2.757 ( 3.614 52.660 18.960) 56.086 3.911 ( 0.004 29.333 -28.407) 40.834 4.185 ( -36.902 61.324 12.232) 72.608 4.760 ( -15.403 27.870 -15.955) 35.617 4.847 ( -9.792 29.651 0.336) 31.228 5.289 ( -13.969 11.840 4.794) 18.929 5.425 ( -7.693 26.388 22.691) 35.643 5.947 ( -1.448 -7.219 5.818) 9.384 6.258 ( 2.802 -9.707 -4.292) 10.977 6.367 ( -9.429 18.885 -30.041) 36.715 6.471 ( -5.536 15.361 -12.275) 20.428 6.573 ( -0.824 -2.991 -4.508) 5.472 6.873 ( 3.944 -13.413 -8.404) 16.313 7.411 ( -3.518 -13.791 5.171) 15.143 7.578 ( 5.538 -3.476 6.422) 9.165 7.778 ( 3.582 -2.427 -7.532) 8.686 7.854 ( -1.485 8.149 4.929) 9.638 8.104 ( -0.784 -14.623 -0.948) 14.674 8.184 ( 0.775 -16.475 8.870) 18.727 8.718 ( 7.058 -2.517 -0.865) 7.544 8.895 ( 9.203 -9.279 0.219) 13.071 9.035 ( -1.718 -1.237 3.582) 4.161 9.487 ( 9.022 -9.973 2.596) 13.697 9.573 ( 6.982 -3.153 1.913) 7.896 9.789 ( 3.506 -6.770 -3.836) 8.535 9.836 ( -1.515 1.614 0.536) 2.278 10.020 ( -3.786 -4.302 1.616) 5.955 10.143 ( -5.296 -2.913 -1.925) 6.344 10.368 ( 0.295 -4.572 2.737) 5.337 10.409 ( -8.289 -9.624 -2.218) 12.894 10.735 ( -6.993 -4.319 3.963) 9.125 10.851 ( 4.651 3.718 3.332) 6.823 11.182 ( 1.005 6.177 -3.432) 7.137 11.281 ( 2.725 -3.066 0.493) 4.131 11.595 ( 2.484 -11.392 -8.952) 14.700 12.060 ( 6.986 -4.560 -0.009) 8.342 12.093 ( 1.321 -4.781 1.813) 5.281 12.133 ( 7.838 -2.034 1.943) 8.328 12.285 ( 1.638 -1.099 0.567) 2.053 12.446 ( 1.071 -3.465 3.244) 4.866 12.550 ( -2.479 -5.641 2.857) 6.791 12.658 ( 0.459 -4.601 -0.528) 4.653 12.735 ( 0.113 -1.179 1.346) 1.792 12.904 ( -1.454 3.314 0.085) 3.620 12.936 ( 0.131 -1.124 -2.855) 3.071 13.080 ( -1.369 3.500 3.577) 5.188 13.175 ( 3.553 1.835 -2.252) 4.590 13.309 ( -0.783 3.390 -4.170) 5.430 13.382 ( -1.335 1.112 -3.442) 3.856 13.502 ( 0.618 3.052 4.373) 5.369 13.607 ( -1.916 2.958 0.616) 3.578 13.927 ( 3.649 2.783 -2.349) 5.156 14.057 ( -1.809 4.194 -1.798) 4.909 14.493 ( -1.571 4.298 2.923) 5.430 14.768 ( -0.199 2.434 -2.744) 3.673 15.045 ( -1.574 -3.227 0.946) 3.713 15.183 ( -3.087 -4.972 -2.607) 6.407 15.909 ( 2.869 -1.972 -0.066) 3.482 16.043 ( -2.005 -2.489 -0.239) 3.204 ======================= Grid point 156 (65/168) ======================= q-point: (-0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -0.998 32.022 46.387) 56.375 2.316 ( -10.399 53.729 15.810) 56.964 3.184 ( 9.067 74.381 22.926) 78.360 3.754 ( 11.107 30.056 -27.211) 42.038 4.065 ( -14.319 41.646 -28.303) 52.350 4.574 ( -0.999 24.594 15.794) 29.245 4.891 ( -1.573 27.939 7.496) 28.970 5.171 ( 2.705 23.650 15.976) 28.668 5.911 ( -9.805 7.708 -15.488) 19.885 6.050 ( 4.429 17.247 -1.137) 17.843 6.227 ( -1.937 8.595 -35.458) 36.536 6.491 ( 6.499 -12.959 -2.308) 14.680 6.682 ( 0.686 -9.052 4.982) 10.355 6.986 ( -1.104 -5.989 -5.823) 8.426 7.528 ( -3.102 -19.548 -6.961) 20.981 7.725 ( 3.976 -10.883 2.367) 11.825 7.823 ( 0.425 -5.441 -4.656) 7.174 7.897 ( 6.504 -3.779 17.768) 19.295 8.171 ( -4.161 -12.988 4.278) 14.293 8.413 ( 5.805 -14.386 3.426) 15.887 8.754 ( -1.231 0.192 -5.172) 5.320 9.003 ( -2.454 -3.733 -1.822) 4.825 9.116 ( 1.304 -6.463 10.975) 12.803 9.569 ( -5.708 -0.985 -3.270) 6.652 9.707 ( 1.516 -4.944 5.736) 7.723 9.760 ( 0.025 2.580 -0.233) 2.591 9.866 ( -2.528 -1.124 -0.133) 2.770 10.091 ( 7.135 -6.660 -3.373) 10.327 10.126 ( -0.953 -2.466 -1.594) 3.087 10.358 ( -5.905 -9.904 -2.720) 11.848 10.486 ( 5.723 -5.417 3.643) 8.681 10.655 ( -4.483 -3.055 1.126) 5.541 10.851 ( -0.171 4.736 5.515) 7.271 11.118 ( -2.360 4.921 -1.749) 5.731 11.297 ( -1.632 -1.648 1.159) 2.593 11.681 ( -2.266 -6.186 -14.864) 16.259 12.125 ( -0.472 -2.009 0.406) 2.103 12.155 ( 1.134 1.621 -0.812) 2.138 12.282 ( 3.177 -5.413 4.313) 7.615 12.373 ( 5.953 -1.019 -1.560) 6.238 12.482 ( -2.086 -0.160 4.917) 5.343 12.575 ( -0.275 -14.055 5.183) 14.982 12.690 ( -0.679 -3.622 -0.702) 3.752 12.743 ( -1.051 -2.651 1.015) 3.027 12.835 ( -0.999 3.098 1.336) 3.518 12.929 ( -1.293 1.245 -2.861) 3.378 13.041 ( -0.141 3.263 2.402) 4.054 13.221 ( 3.017 1.103 -4.410) 5.456 13.266 ( -1.693 1.207 -3.612) 4.168 13.332 ( -0.505 4.305 -2.334) 4.923 13.539 ( -2.092 1.841 1.310) 3.079 13.549 ( 2.938 0.123 1.700) 3.397 13.953 ( 2.754 10.802 -2.503) 11.425 14.009 ( -0.789 -5.593 -1.900) 5.959 14.446 ( 0.538 4.580 3.890) 6.033 14.736 ( -0.644 3.783 -5.004) 6.306 15.056 ( -0.171 -2.863 0.869) 2.997 15.188 ( -0.523 -4.171 -2.559) 4.921 15.963 ( 1.028 -2.442 1.046) 2.849 16.040 ( -0.737 -1.890 -1.086) 2.300 ======================= Grid point 157 (66/168) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 15.439 39.535 19.425) 46.677 2.029 ( 19.430 22.162 50.108) 58.134 3.239 ( 52.264 61.821 25.150) 84.769 3.556 ( 5.217 27.004 -29.849) 40.588 3.918 ( 26.771 28.515 -29.549) 49.020 4.428 ( 8.671 15.184 18.224) 25.256 4.875 ( 22.657 23.375 7.427) 33.390 5.137 ( 13.710 17.339 9.851) 24.200 5.688 ( 1.822 16.815 -15.356) 22.844 6.034 ( 9.251 17.990 -25.058) 32.204 6.197 ( -0.412 -5.541 -10.986) 12.311 6.652 ( -0.850 -3.738 5.513) 6.715 6.747 ( -0.665 -8.842 1.510) 8.995 6.956 ( -4.623 -0.714 -5.275) 7.050 7.601 ( -2.765 -12.733 -4.199) 13.690 7.829 ( -8.430 -20.184 -5.085) 22.457 7.983 ( 6.154 -12.068 -10.469) 17.120 8.096 ( 10.142 -3.154 26.618) 28.658 8.192 ( -6.774 -13.255 6.499) 16.243 8.589 ( 2.952 -5.056 -1.065) 5.951 8.687 ( -5.762 0.733 -2.679) 6.396 8.989 ( -1.700 -2.528 -3.087) 4.337 9.074 ( -10.362 -4.252 8.715) 14.192 9.432 ( -8.029 2.104 1.525) 8.438 9.621 ( -9.047 -2.842 2.212) 9.738 9.706 ( -3.370 4.566 0.596) 5.706 9.908 ( 2.181 -1.640 0.738) 2.827 10.073 ( -5.286 -3.573 2.575) 6.880 10.284 ( 8.886 -0.457 -4.076) 9.787 10.369 ( -0.897 -2.479 -2.929) 3.941 10.550 ( -1.751 -2.552 2.670) 4.088 10.654 ( -1.119 -0.339 2.002) 2.319 10.831 ( 3.095 0.028 1.871) 3.616 11.030 ( -3.278 1.759 -1.449) 3.993 11.323 ( 1.700 -3.837 -0.680) 4.252 11.618 ( -6.124 -0.045 -13.383) 14.718 12.062 ( -5.607 -0.766 -1.684) 5.904 12.174 ( 0.893 1.355 1.120) 1.972 12.304 ( -4.008 -1.656 -0.380) 4.353 12.388 ( -7.453 -3.209 6.528) 10.414 12.466 ( 1.600 -0.865 2.655) 3.218 12.667 ( -3.473 -5.550 -1.636) 6.748 12.740 ( 3.671 -4.121 0.282) 5.526 12.773 ( 0.128 -6.145 2.218) 6.534 12.832 ( 1.676 -0.189 0.815) 1.873 12.904 ( 1.100 2.398 -0.522) 2.690 13.019 ( 0.958 1.618 1.407) 2.348 13.196 ( -2.502 2.512 -1.620) 3.898 13.255 ( -0.665 3.457 -4.350) 5.596 13.312 ( 2.130 1.327 -5.287) 5.852 13.468 ( -3.468 0.833 1.176) 3.755 13.581 ( 0.048 2.651 0.873) 2.791 13.904 ( 0.465 4.674 2.398) 5.274 14.038 ( -1.242 -0.837 -3.314) 3.637 14.443 ( 3.349 3.251 4.938) 6.795 14.694 ( 1.208 3.072 -4.372) 5.479 15.091 ( 1.454 -2.398 0.702) 2.891 15.237 ( 2.289 -2.935 -3.578) 5.163 15.992 ( -0.154 -2.194 2.008) 2.978 16.044 ( -0.208 -1.486 -1.703) 2.270 ======================= Grid point 161 (67/168) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.889 ( 2.583 0.000 -6.252) 6.765 5.137 ( 9.110 0.000 -0.813) 9.146 5.159 ( 37.472 0.000 9.184) 38.581 5.251 ( -10.291 -0.000 -0.945) 10.334 5.527 ( -26.795 -0.000 8.517) 28.116 5.698 ( -4.857 -0.000 -5.637) 7.441 5.771 ( 2.901 0.000 -15.476) 15.745 5.921 ( -20.992 -0.000 16.839) 26.911 5.995 ( 2.425 0.000 -20.923) 21.063 6.248 ( -26.633 -0.000 -22.310) 34.742 6.385 ( -26.450 -0.000 -4.284) 26.794 6.448 ( 7.201 0.000 4.863) 8.690 6.603 ( -0.519 -0.000 18.504) 18.511 6.898 ( 3.453 0.000 -6.030) 6.949 7.446 ( -7.561 -0.000 0.018) 7.561 7.446 ( 9.125 0.000 15.321) 17.832 7.777 ( -1.680 -0.000 3.408) 3.800 7.938 ( 18.651 0.000 9.575) 20.965 8.018 ( -7.985 -0.000 -0.966) 8.043 8.060 ( 4.017 0.000 0.109) 4.018 8.361 ( 2.253 0.000 8.618) 8.908 8.533 ( 18.528 0.000 -5.506) 19.329 9.050 ( 10.545 0.000 0.765) 10.573 9.361 ( 7.848 0.000 -2.146) 8.136 9.513 ( -8.845 -0.000 4.025) 9.718 9.764 ( 14.149 0.000 -8.335) 16.422 10.149 ( -3.675 -0.000 -10.345) 10.979 10.241 ( 5.716 0.000 -4.051) 7.006 10.377 ( -4.193 -0.000 6.859) 8.040 10.449 ( 6.940 0.000 1.148) 7.034 10.505 ( 0.591 0.000 -1.126) 1.272 10.597 ( 0.029 0.000 4.784) 4.784 10.804 ( -4.402 -0.000 -2.453) 5.039 10.898 ( -1.867 -0.000 -0.667) 1.983 10.995 ( -11.474 -0.000 -1.630) 11.589 11.075 ( 0.539 0.000 3.562) 3.603 11.550 ( -3.565 -0.000 1.994) 4.085 11.783 ( -0.965 -0.000 -5.296) 5.384 12.139 ( -1.226 -0.000 -3.317) 3.536 12.140 ( 1.753 0.000 2.212) 2.822 12.345 ( 1.710 0.000 3.340) 3.752 12.419 ( -8.716 -0.000 4.376) 9.753 12.445 ( -1.172 -0.000 -0.821) 1.431 12.613 ( -2.064 -0.000 -6.590) 6.905 12.652 ( 0.652 0.000 2.189) 2.284 12.753 ( 3.817 0.000 -4.285) 5.738 13.013 ( 4.968 0.000 6.254) 7.987 13.152 ( 2.275 0.000 -5.912) 6.335 13.229 ( 6.792 0.000 1.652) 6.990 13.429 ( 2.546 0.000 5.021) 5.630 13.435 ( 5.657 0.000 1.741) 5.919 13.767 ( 5.234 0.000 -3.510) 6.302 14.088 ( 0.073 0.000 8.413) 8.414 14.233 ( 1.866 0.000 -5.555) 5.860 14.926 ( -4.789 -0.000 -0.045) 4.790 15.023 ( -2.363 -0.000 1.261) 2.679 15.094 ( 0.013 0.000 2.151) 2.151 15.421 ( -1.725 -0.000 -9.305) 9.464 15.692 ( -7.352 -0.000 8.385) 11.151 16.195 ( -1.762 -0.000 -4.122) 4.483 ======================= Grid point 162 (68/168) ======================= q-point: (-0.64 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.791 ( -5.217 18.754 4.742) 20.035 4.929 ( -19.408 10.262 1.281) 21.991 5.107 ( -16.079 -4.064 0.250) 16.586 5.319 ( 8.517 -0.367 -8.163) 11.803 5.448 ( -17.802 -1.673 19.364) 26.357 5.610 ( -4.739 -3.369 4.731) 7.497 5.761 ( -7.463 -10.357 0.646) 12.782 5.814 ( 5.972 -0.068 -18.454) 19.396 5.849 ( -6.908 -2.776 -23.658) 24.802 5.967 ( -2.598 -0.957 -13.846) 14.121 6.192 ( 4.311 -3.977 3.572) 6.868 6.589 ( 5.221 1.036 4.321) 6.855 6.722 ( 6.883 -8.168 14.076) 17.670 6.831 ( -9.090 -2.525 -2.866) 9.860 7.218 ( -9.151 4.408 3.138) 10.631 7.568 ( 6.823 -1.104 14.143) 15.742 7.821 ( -1.725 9.379 3.750) 10.247 7.962 ( 10.906 0.811 -5.594) 12.284 8.066 ( -0.339 -5.429 -4.453) 7.030 8.240 ( 5.430 -2.478 2.897) 6.634 8.487 ( 11.356 2.780 7.899) 14.109 8.733 ( 5.325 3.893 -1.706) 6.813 9.201 ( 4.362 3.298 0.132) 5.470 9.289 ( -7.784 1.819 1.608) 8.154 9.476 ( 0.663 4.936 -4.346) 6.610 9.865 ( -6.040 2.395 -9.464) 11.480 10.071 ( -2.406 2.849 -0.757) 3.805 10.241 ( -3.421 -1.140 0.518) 3.643 10.352 ( 3.515 2.416 -3.260) 5.368 10.486 ( -1.994 -0.192 0.992) 2.235 10.518 ( -3.554 -2.883 -0.963) 4.676 10.583 ( -5.350 -1.178 4.487) 7.081 10.768 ( -5.094 -5.785 -0.293) 7.713 10.802 ( -2.572 1.171 2.177) 3.567 10.925 ( 5.968 -2.270 -3.819) 7.440 11.114 ( 1.721 -3.328 0.521) 3.782 11.527 ( 0.902 -0.956 6.191) 6.329 11.778 ( 0.786 -0.197 -5.049) 5.114 12.128 ( 0.482 1.121 -2.627) 2.896 12.190 ( 2.386 -2.256 2.474) 4.112 12.279 ( -5.132 1.924 3.733) 6.632 12.370 ( 0.570 0.530 0.272) 0.824 12.457 ( 1.852 -1.419 1.703) 2.889 12.602 ( 1.126 -0.874 -5.709) 5.884 12.674 ( 1.704 0.372 1.257) 2.150 12.854 ( 6.326 -0.712 -2.988) 7.033 13.112 ( 4.986 0.280 5.158) 7.179 13.211 ( 5.618 1.906 -4.702) 7.570 13.354 ( 3.739 -1.250 -0.265) 3.951 13.446 ( 1.984 2.159 4.535) 5.400 13.544 ( 5.126 0.327 3.903) 6.451 13.850 ( 5.050 1.671 -2.346) 5.814 14.060 ( -3.039 1.240 4.617) 5.665 14.229 ( -2.545 -0.307 -4.251) 4.964 14.819 ( -5.938 -0.211 1.305) 6.084 14.949 ( -5.783 -0.797 1.412) 6.006 15.085 ( -1.432 0.165 0.556) 1.545 15.351 ( -6.404 -0.108 -6.813) 9.351 15.611 ( -0.862 -1.250 4.006) 4.284 16.148 ( -3.237 -0.356 -2.271) 3.970 ======================= Grid point 163 (69/168) ======================= q-point: (-0.55 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( -21.188 24.230 14.863) 35.453 4.435 ( -7.315 32.699 13.500) 36.125 4.910 ( -6.200 9.264 -13.390) 17.423 5.193 ( -13.812 -10.751 14.299) 22.601 5.460 ( 5.309 -2.141 -13.620) 14.774 5.633 ( -4.423 -3.168 -13.570) 14.620 5.659 ( -6.862 -0.086 -30.762) 31.518 5.699 ( 4.139 -9.714 -0.520) 10.572 5.803 ( -7.823 -17.918 -4.939) 20.166 6.195 ( -2.482 -0.692 13.943) 14.179 6.333 ( 10.467 -0.010 7.595) 12.932 6.515 ( -5.557 4.992 4.594) 8.769 6.795 ( -0.176 -6.200 1.630) 6.413 6.941 ( 3.382 -11.748 11.583) 16.841 7.147 ( 8.510 5.815 -3.011) 10.738 7.724 ( 8.368 -2.060 6.805) 10.980 7.741 ( 5.694 10.939 2.892) 12.667 7.987 ( -8.169 4.037 -5.394) 10.589 8.175 ( 4.539 4.093 -4.713) 7.718 8.304 ( 3.882 -0.386 -3.320) 5.123 8.631 ( -0.642 6.413 2.801) 7.027 8.706 ( 4.919 1.551 4.474) 6.827 9.055 ( -6.958 8.672 -5.287) 12.311 9.221 ( -3.776 6.737 -0.121) 7.724 9.366 ( -4.721 2.485 -0.945) 5.418 9.637 ( -13.881 -1.621 -6.494) 15.411 9.937 ( -5.283 3.408 4.033) 7.469 10.216 ( -5.693 -2.368 -2.714) 6.736 10.310 ( -8.977 -5.650 0.690) 10.629 10.386 ( -12.595 -0.107 2.812) 12.905 10.439 ( -7.700 -5.098 0.420) 9.244 10.550 ( 7.522 -1.386 -1.049) 7.720 10.715 ( -2.809 -5.480 2.520) 6.654 10.913 ( 7.290 -3.668 1.877) 8.374 11.117 ( 9.114 -5.163 -2.220) 10.707 11.171 ( 1.140 -3.655 -6.085) 7.190 11.597 ( 4.825 -1.097 9.077) 10.338 11.821 ( 3.105 -2.212 -3.421) 5.122 12.115 ( -0.891 0.825 -0.099) 1.219 12.218 ( 0.846 3.636 0.799) 3.817 12.273 ( 3.713 -3.703 1.189) 5.377 12.374 ( 0.354 -0.815 -0.596) 1.070 12.508 ( 1.296 -2.259 2.292) 3.469 12.673 ( 5.439 -1.298 -3.507) 6.601 12.703 ( 1.861 0.639 0.906) 2.166 12.972 ( 5.964 -0.182 -1.835) 6.243 13.170 ( 1.889 1.758 3.261) 4.158 13.292 ( 3.631 3.253 -4.272) 6.482 13.349 ( -0.079 2.060 2.918) 3.572 13.474 ( -0.403 -0.291 -1.345) 1.434 13.610 ( 3.327 1.909 5.139) 6.413 13.879 ( -4.523 1.707 6.130) 7.807 14.010 ( 4.386 4.621 -4.949) 8.068 14.148 ( -5.319 0.209 -2.247) 5.778 14.723 ( -4.332 1.400 1.440) 4.775 14.859 ( -4.708 -2.004 0.068) 5.117 15.045 ( -3.008 -0.836 0.656) 3.190 15.216 ( -8.011 -1.990 -3.456) 8.948 15.672 ( 4.722 -2.010 -0.534) 5.160 16.089 ( -3.786 -1.037 -0.540) 3.963 ======================= Grid point 164 (70/168) ======================= q-point: (-0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -20.653 31.133 22.569) 43.648 4.021 ( -0.834 43.552 15.221) 46.142 4.681 ( -1.607 24.096 -22.125) 32.752 5.113 ( -7.791 -13.520 16.905) 23.005 5.456 ( -7.581 8.906 -27.193) 29.602 5.530 ( 2.004 12.306 -14.916) 19.441 5.699 ( 1.950 -3.055 -2.254) 4.268 5.782 ( 1.079 -7.599 -4.091) 8.698 5.953 ( 4.904 -10.194 2.019) 11.491 6.095 ( -7.167 -5.719 2.762) 9.576 6.305 ( -9.977 15.561 6.359) 19.548 6.427 ( 0.729 -4.989 6.799) 8.464 6.803 ( -5.215 -1.986 8.180) 9.902 6.984 ( -1.602 -1.940 0.615) 2.590 7.425 ( 18.900 4.955 5.187) 20.215 7.699 ( -1.487 2.200 -10.014) 10.360 7.801 ( -6.871 11.721 -3.195) 13.957 7.898 ( 1.391 6.481 1.369) 6.769 8.115 ( 8.742 -7.837 -3.151) 12.156 8.278 ( -18.243 15.627 -0.387) 24.024 8.346 ( -1.730 11.321 2.490) 11.720 8.879 ( -1.137 5.925 -7.340) 9.502 8.944 ( 7.495 -9.027 -4.755) 12.660 9.102 ( -0.769 1.199 6.730) 6.879 9.342 ( 0.115 -6.026 0.297) 6.034 9.511 ( -3.150 -7.957 -2.254) 8.849 9.869 ( -3.348 -3.333 4.554) 6.562 10.043 ( -10.401 -0.996 -1.022) 10.498 10.186 ( -11.647 -4.701 0.785) 12.585 10.245 ( -6.646 -8.947 2.381) 11.397 10.350 ( -8.513 -8.303 -2.091) 12.074 10.644 ( -4.726 -9.663 5.198) 11.947 10.774 ( 7.003 -0.018 1.015) 7.077 11.083 ( 7.026 -3.122 1.409) 7.816 11.229 ( 3.090 -1.759 -10.375) 10.967 11.294 ( 4.445 -6.129 -0.307) 7.577 11.713 ( 5.433 -4.119 8.135) 10.614 11.921 ( 4.023 -4.386 -0.071) 5.952 12.105 ( 1.563 2.039 -0.438) 2.607 12.224 ( 1.813 0.606 0.220) 1.924 12.355 ( 1.472 -1.215 1.497) 2.426 12.425 ( 3.032 -4.831 -1.187) 5.827 12.540 ( -0.093 -2.681 1.911) 3.294 12.722 ( 0.597 0.303 1.154) 1.334 12.802 ( 7.426 -0.246 -3.250) 8.110 13.052 ( 2.435 1.783 0.354) 3.039 13.146 ( -1.663 2.287 2.287) 3.637 13.249 ( -1.100 4.366 -2.005) 4.929 13.383 ( 2.271 1.062 -0.793) 2.630 13.431 ( -2.712 1.399 -3.558) 4.688 13.626 ( 0.094 3.496 6.568) 7.441 13.732 ( -6.521 1.683 3.168) 7.443 13.983 ( -4.500 2.297 -2.022) 5.442 14.150 ( 5.957 3.158 -3.141) 7.438 14.637 ( -2.656 3.507 1.244) 4.572 14.814 ( -1.648 -0.301 -1.033) 1.968 15.003 ( -2.901 -2.387 1.122) 3.921 15.120 ( -5.597 -4.644 -2.433) 7.669 15.785 ( 5.299 -1.820 -1.521) 5.806 16.033 ( -3.579 -1.764 0.358) 4.006 ======================= Grid point 165 (71/168) ======================= q-point: (-0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -14.954 34.853 28.866) 47.661 3.661 ( 5.042 48.799 14.030) 51.025 4.450 ( 4.333 30.423 -24.625) 39.379 5.064 ( -6.944 15.093 12.740) 20.936 5.177 ( -7.739 20.677 -19.792) 29.650 5.319 ( -7.625 20.907 -4.352) 22.676 5.440 ( -14.398 26.526 8.766) 31.429 5.786 ( -1.073 9.757 8.489) 12.977 5.936 ( 0.711 3.274 -2.701) 4.303 6.109 ( 0.503 -1.103 8.005) 8.096 6.282 ( 5.842 -14.873 -1.164) 16.022 6.567 ( 5.813 -10.692 -16.804) 20.748 6.667 ( -6.907 -0.341 3.924) 7.951 6.952 ( 3.650 16.846 -12.231) 21.135 7.328 ( -19.462 17.390 -6.423) 26.878 7.526 ( -5.256 -5.821 2.116) 8.124 7.774 ( -4.946 -1.944 -7.868) 9.495 7.903 ( 5.794 -0.539 0.920) 5.891 7.994 ( -1.891 2.576 12.119) 12.533 8.110 ( 1.508 12.217 1.584) 12.411 8.555 ( 16.611 -14.446 5.606) 22.716 8.812 ( -2.185 -1.545 -8.461) 8.874 9.000 ( -3.828 -2.781 0.267) 4.739 9.300 ( 10.557 -10.177 1.247) 14.717 9.453 ( 1.652 -10.695 -0.408) 10.829 9.635 ( 7.564 -9.253 -1.080) 12.000 9.836 ( -3.464 -2.039 -0.072) 4.021 9.902 ( -10.633 -9.054 0.152) 13.966 10.067 ( -5.643 -5.988 1.120) 8.304 10.213 ( -7.481 -10.092 1.146) 12.614 10.302 ( -1.699 -5.141 -0.101) 5.415 10.609 ( -7.683 -9.884 5.867) 13.825 10.889 ( 4.374 0.390 3.159) 5.409 11.208 ( 3.006 -3.669 -0.356) 4.756 11.286 ( 3.114 2.883 -8.148) 9.186 11.395 ( 0.209 -9.202 -1.475) 9.322 11.889 ( 6.728 -10.167 5.111) 13.219 12.016 ( 1.397 -5.261 1.945) 5.781 12.147 ( 5.331 2.159 -0.591) 5.782 12.275 ( 2.940 -1.622 0.243) 3.367 12.362 ( -2.496 -2.956 2.207) 4.454 12.494 ( -0.504 -2.250 2.003) 3.054 12.576 ( 1.199 -4.569 -0.376) 4.738 12.719 ( -0.911 -0.421 0.726) 1.238 12.920 ( 4.996 1.218 -4.913) 7.112 12.995 ( -3.162 4.594 3.054) 6.358 13.123 ( -0.099 1.834 1.660) 2.476 13.220 ( 1.466 2.663 -1.565) 3.419 13.353 ( -2.568 1.800 -4.090) 5.154 13.400 ( -0.272 0.930 -3.137) 3.283 13.568 ( -0.845 3.542 4.732) 5.971 13.653 ( -2.111 2.585 3.187) 4.615 13.911 ( -2.534 -1.886 -0.220) 3.166 14.186 ( 2.878 7.686 -4.434) 9.328 14.571 ( -0.680 4.480 2.118) 5.002 14.803 ( 0.815 1.439 -2.229) 2.776 14.986 ( -1.823 -3.292 1.147) 3.934 15.088 ( -3.148 -5.664 -1.848) 6.739 15.879 ( 3.087 -1.415 -0.715) 3.470 15.998 ( -2.142 -2.519 -0.116) 3.308 ======================= Grid point 166 (72/168) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -3.349 34.587 35.139) 49.419 3.239 ( -8.637 49.915 9.742) 51.585 4.299 ( 10.095 33.193 -23.275) 41.778 4.492 ( 7.120 68.864 15.147) 70.869 4.742 ( -12.374 32.529 -27.912) 44.613 5.035 ( -3.257 23.875 13.106) 27.430 5.219 ( -3.190 7.221 5.371) 9.548 5.626 ( 3.063 19.104 14.123) 23.954 5.878 ( -1.405 10.896 9.804) 14.725 6.235 ( 6.707 -13.348 -5.708) 15.991 6.449 ( -2.438 12.863 -13.152) 18.557 6.522 ( 8.570 -0.021 -15.329) 17.562 6.721 ( 0.962 23.332 -12.415) 26.447 6.838 ( 0.503 2.463 -3.373) 4.207 7.084 ( -3.533 -23.248 -11.343) 26.107 7.483 ( -6.524 -14.104 6.379) 16.798 7.738 ( -6.402 -8.551 -9.237) 14.122 7.930 ( 4.691 3.429 17.831) 18.754 7.978 ( -0.237 -5.953 2.602) 6.501 8.266 ( 10.800 -0.606 9.134) 14.158 8.752 ( -0.120 -0.478 -8.667) 8.681 8.912 ( 1.703 -7.844 -1.024) 8.091 8.979 ( -2.066 -8.585 6.909) 11.212 9.472 ( -0.912 -9.115 -0.563) 9.178 9.579 ( -0.352 -8.970 3.397) 9.598 9.745 ( -3.899 -5.916 -6.622) 9.698 9.821 ( -2.040 -3.049 1.442) 3.942 9.936 ( 6.872 -9.530 0.134) 11.750 10.085 ( 2.483 -4.696 -3.708) 6.478 10.159 ( -6.393 -11.242 -0.987) 12.970 10.386 ( 4.757 -5.748 4.713) 8.826 10.564 ( -5.469 -7.423 4.583) 10.296 10.913 ( -0.549 1.712 4.363) 4.719 11.209 ( -2.662 3.915 -3.467) 5.868 11.284 ( -0.781 1.011 -1.458) 1.939 11.499 ( -0.250 -12.848 -6.796) 14.537 12.052 ( -0.441 -6.729 1.701) 6.955 12.116 ( 4.287 -7.102 1.913) 8.514 12.242 ( 4.739 0.558 0.342) 4.784 12.312 ( -3.673 -6.744 1.704) 7.866 12.358 ( 0.190 -5.135 2.625) 5.770 12.487 ( 0.376 -0.251 4.763) 4.785 12.632 ( -0.002 -4.172 0.016) 4.172 12.702 ( -1.601 -1.106 -0.651) 2.052 12.898 ( -1.662 3.594 1.003) 4.085 12.959 ( 0.453 2.842 -4.330) 5.198 13.101 ( 0.095 3.292 2.656) 4.231 13.234 ( 1.405 0.958 -1.757) 2.445 13.305 ( -1.033 2.576 -3.942) 4.822 13.382 ( -0.062 1.325 -3.004) 3.284 13.557 ( -0.820 0.777 2.185) 2.460 13.596 ( 1.403 4.172 3.739) 5.776 13.918 ( -0.416 -4.221 -0.079) 4.243 14.137 ( 1.374 9.748 -4.499) 10.823 14.532 ( 0.658 4.901 3.201) 5.891 14.792 ( -0.651 2.485 -3.760) 4.554 14.998 ( -0.234 -3.551 0.830) 3.654 15.104 ( -0.141 -5.240 -1.683) 5.506 15.922 ( 0.452 -2.058 0.746) 2.235 16.000 ( -0.457 -2.501 -1.282) 2.847 ======================= Grid point 167 (73/168) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 12.388 28.543 38.235) 49.296 2.577 ( -4.567 50.230 10.354) 51.489 4.099 ( 1.310 34.234 -23.553) 41.574 4.341 ( 30.188 53.300 9.830) 62.039 4.462 ( 22.012 36.672 -20.403) 47.388 4.785 ( 1.859 23.433 15.067) 27.921 5.172 ( 8.363 10.687 2.463) 13.793 5.588 ( 13.130 24.985 12.107) 30.711 5.815 ( 1.878 4.113 0.621) 4.564 6.283 ( 3.122 17.454 -19.333) 26.232 6.469 ( 6.839 -1.669 -8.243) 10.840 6.536 ( 8.946 18.123 -14.082) 24.633 6.660 ( 2.975 0.579 9.129) 9.619 6.864 ( -4.888 -12.576 -3.736) 14.000 7.253 ( -2.954 -17.767 -18.166) 25.581 7.526 ( -5.849 -17.123 7.993) 19.782 7.758 ( 1.563 -11.474 -8.669) 14.465 7.986 ( -5.566 -9.576 -0.091) 11.077 8.083 ( 10.862 0.917 22.866) 25.331 8.450 ( 3.871 -8.237 11.465) 14.638 8.714 ( -1.815 2.055 -10.334) 10.691 8.949 ( -2.347 -2.620 -1.210) 3.720 8.961 ( -7.905 -8.194 5.730) 12.746 9.430 ( -10.239 -3.296 2.986) 11.163 9.536 ( -7.534 -6.473 -2.352) 10.208 9.751 ( -3.452 -0.314 -1.683) 3.854 9.838 ( 0.105 -5.910 0.784) 5.963 10.003 ( -2.633 -4.092 3.225) 5.838 10.253 ( 6.455 -5.501 -6.165) 10.485 10.266 ( 8.529 -6.662 0.170) 10.824 10.492 ( -1.095 -4.040 6.602) 7.817 10.599 ( 3.768 -6.196 -1.558) 7.417 10.860 ( -2.242 2.487 3.791) 5.058 11.087 ( -5.116 4.638 -4.437) 8.209 11.271 ( -0.255 -1.849 -0.871) 2.060 11.547 ( -5.088 -7.910 -8.594) 12.740 12.049 ( -4.575 -1.521 -0.471) 4.844 12.149 ( -4.265 -3.315 1.380) 5.575 12.259 ( -4.139 -8.361 7.405) 11.911 12.297 ( -3.495 -1.888 0.292) 3.983 12.453 ( 3.233 -1.868 -1.239) 3.934 12.553 ( 1.106 -6.322 6.000) 8.786 12.664 ( 1.403 -3.771 0.676) 4.080 12.682 ( -2.184 -3.103 -1.496) 4.079 12.867 ( 1.572 3.113 -0.553) 3.531 12.938 ( 0.508 1.428 -2.500) 2.923 13.067 ( -0.575 3.808 3.148) 4.974 13.220 ( -3.479 1.040 -0.568) 3.675 13.272 ( 1.028 1.348 -4.839) 5.127 13.378 ( 1.611 3.366 -3.116) 4.861 13.507 ( -0.933 2.966 2.311) 3.874 13.629 ( 2.595 2.732 2.070) 4.299 13.931 ( -1.489 -1.497 -1.796) 2.772 14.090 ( 1.298 6.599 -1.629) 6.920 14.513 ( 2.156 4.446 4.122) 6.435 14.745 ( -0.601 2.640 -3.859) 4.715 15.038 ( 1.272 -3.440 0.664) 3.727 15.172 ( 2.835 -4.271 -2.797) 5.840 15.947 ( 0.090 -2.701 1.122) 2.927 16.010 ( -0.645 -2.253 -1.309) 2.684 ======================= Grid point 168 (74/168) ======================= q-point: (-0.09 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 36.612 22.568 13.169) 44.980 2.646 ( 26.615 18.590 33.395) 46.575 3.994 ( 18.232 23.695 -25.684) 39.415 4.484 ( 21.799 22.822 -17.976) 36.321 4.724 ( 30.939 25.524 7.326) 40.773 4.836 ( 32.615 29.049 10.888) 45.012 5.340 ( 13.426 0.041 2.128) 13.594 5.660 ( 18.954 23.370 3.554) 30.299 5.888 ( 12.907 8.259 4.093) 15.860 6.275 ( 7.741 7.213 -12.655) 16.496 6.489 ( 8.925 17.264 -15.031) 24.569 6.608 ( 2.418 4.949 6.566) 8.571 6.698 ( 2.287 -1.785 -3.864) 4.832 6.843 ( -4.511 -2.695 -2.257) 5.719 7.300 ( -9.069 -20.890 -15.566) 27.585 7.527 ( -8.382 -12.497 8.246) 17.159 7.946 ( -4.183 -11.195 -1.795) 12.086 7.955 ( 0.713 -12.733 -6.687) 14.400 8.264 ( 6.756 0.394 19.386) 20.534 8.473 ( -9.065 -4.161 5.267) 11.280 8.698 ( 1.585 1.003 -2.875) 3.433 8.803 ( -13.008 -5.759 8.606) 16.626 8.934 ( -2.473 1.006 -6.827) 7.330 9.249 ( -11.142 -2.297 5.875) 12.803 9.417 ( -9.193 -3.565 2.942) 10.290 9.699 ( -1.131 1.004 -3.934) 4.215 9.884 ( 0.307 -5.407 0.733) 5.465 9.991 ( -0.646 -0.480 3.559) 3.649 10.337 ( -0.881 -1.936 -3.522) 4.115 10.438 ( 6.276 1.816 -3.152) 7.254 10.538 ( 0.247 -0.417 5.178) 5.201 10.628 ( 0.677 -1.213 0.935) 1.675 10.879 ( 3.142 -3.139 -1.199) 4.600 10.982 ( -2.741 1.486 -4.586) 5.545 11.290 ( -2.251 -3.545 1.247) 4.381 11.463 ( -7.928 -3.368 -9.631) 12.921 11.932 ( -8.141 -1.167 -1.118) 8.300 12.073 ( -7.915 -4.788 4.158) 10.142 12.244 ( -2.529 -1.823 0.577) 3.170 12.253 ( -3.376 -1.956 2.845) 4.829 12.446 ( -3.251 0.452 2.711) 4.257 12.576 ( -2.311 -3.048 -2.057) 4.344 12.684 ( -3.311 -6.175 1.720) 7.215 12.749 ( 1.985 -6.093 0.814) 6.459 12.884 ( 2.285 2.325 -2.766) 4.275 12.964 ( 0.665 2.966 -0.015) 3.040 13.012 ( -1.959 -2.499 0.924) 3.307 13.148 ( -2.204 0.758 1.759) 2.920 13.273 ( 0.003 2.830 -3.175) 4.253 13.349 ( -1.184 4.838 -2.404) 5.531 13.493 ( 3.134 4.530 -0.284) 5.516 13.600 ( -2.296 5.839 0.778) 6.322 13.911 ( 0.182 1.478 1.165) 1.891 14.032 ( -2.303 3.500 0.305) 4.201 14.552 ( 5.494 2.372 4.417) 7.438 14.769 ( 5.294 0.984 -3.035) 6.181 15.101 ( 2.095 -3.093 0.513) 3.771 15.269 ( 3.979 -3.170 -4.264) 6.638 15.960 ( -1.563 -2.208 4.017) 4.843 16.036 ( 1.682 -2.601 -3.633) 4.774 ======================= Grid point 173 (75/168) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.701 ( -13.154 -0.000 8.476) 15.649 4.851 ( -2.072 -0.000 -1.289) 2.440 4.978 ( 4.884 0.000 9.723) 10.881 5.009 ( -20.997 -0.000 26.567) 33.863 5.394 ( -3.446 -0.000 -18.813) 19.126 5.458 ( -9.943 -0.000 0.692) 9.967 5.615 ( 3.484 0.000 -3.848) 5.191 5.684 ( -4.843 -0.000 -37.753) 38.062 5.692 ( -2.945 -0.000 -20.015) 20.230 6.192 ( -0.036 -0.000 12.665) 12.665 6.339 ( 15.850 0.000 5.357) 16.731 6.588 ( -10.504 -0.000 9.493) 14.159 6.741 ( -0.962 -0.000 4.764) 4.860 6.791 ( 8.388 0.000 6.425) 10.566 7.202 ( 9.433 0.000 -2.373) 9.727 7.700 ( 6.818 0.000 8.823) 11.150 7.879 ( 0.223 0.000 -0.496) 0.544 7.996 ( -1.810 -0.000 -1.020) 2.077 8.213 ( 15.307 0.000 -3.965) 15.812 8.286 ( -0.257 -0.000 -6.468) 6.473 8.675 ( 7.804 0.000 5.267) 9.415 8.749 ( -4.747 -0.000 4.890) 6.816 9.150 ( -6.343 -0.000 -4.137) 7.573 9.262 ( -1.085 -0.000 0.548) 1.216 9.420 ( -9.941 -0.000 -3.614) 10.577 9.624 ( -17.407 -0.000 -8.471) 19.359 9.992 ( -9.227 -0.000 1.685) 9.379 10.154 ( -2.589 -0.000 5.393) 5.982 10.270 ( -13.102 -0.000 -5.136) 14.072 10.324 ( -13.538 -0.000 -2.624) 13.790 10.450 ( -11.305 -0.000 5.043) 12.378 10.526 ( 3.401 0.000 -0.691) 3.471 10.663 ( 0.106 0.000 2.863) 2.865 10.880 ( 8.852 0.000 4.197) 9.796 11.068 ( 9.777 0.000 -2.842) 10.181 11.130 ( 1.179 0.000 -7.175) 7.272 11.592 ( 5.633 0.000 10.130) 11.591 11.799 ( 1.839 0.000 -4.997) 5.325 12.135 ( -0.175 -0.000 -0.947) 0.963 12.218 ( 1.745 0.000 1.132) 2.080 12.270 ( 2.559 0.000 0.846) 2.696 12.361 ( -1.079 -0.000 1.210) 1.621 12.487 ( 1.551 0.000 2.908) 3.296 12.663 ( 6.059 0.000 -3.719) 7.109 12.709 ( 1.743 0.000 1.088) 2.055 12.971 ( 6.537 0.000 -2.246) 6.912 13.188 ( 2.343 0.000 2.569) 3.477 13.320 ( 5.124 0.000 -2.481) 5.693 13.369 ( -1.866 -0.000 1.586) 2.449 13.468 ( -0.032 -0.000 -1.826) 1.827 13.630 ( 3.437 0.000 6.220) 7.106 13.894 ( -4.618 -0.000 6.267) 7.785 14.051 ( 5.018 0.000 -4.900) 7.014 14.150 ( -6.121 -0.000 -2.796) 6.729 14.740 ( -2.694 -0.000 0.972) 2.864 14.836 ( -5.055 -0.000 0.259) 5.061 15.038 ( -3.563 -0.000 0.545) 3.605 15.199 ( -8.910 -0.000 -2.668) 9.301 15.653 ( 5.067 0.000 -1.084) 5.182 16.080 ( -3.893 -0.000 -0.510) 3.926 ======================= Grid point 175 (76/168) ======================= q-point: (-0.55 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.303 ( -15.399 28.743 19.578) 38.034 4.743 ( 0.793 28.773 10.396) 30.604 4.778 ( -8.273 -13.690 21.404) 26.721 5.080 ( 5.638 17.786 -16.022) 24.594 5.412 ( -2.097 -25.956 2.388) 26.150 5.440 ( 1.065 -12.933 -20.630) 24.372 5.623 ( -0.581 0.201 -33.781) 33.786 5.688 ( 7.699 -1.170 -27.367) 28.453 5.779 ( 6.669 -2.262 12.772) 14.585 6.139 ( -2.737 5.467 8.827) 10.738 6.407 ( -5.909 3.213 14.938) 16.383 6.539 ( 6.187 4.365 12.523) 14.634 6.778 ( 4.547 -1.354 0.249) 4.751 6.869 ( -0.637 -5.587 7.772) 9.593 7.519 ( 17.817 3.705 -0.580) 18.208 7.717 ( -10.260 0.348 -5.642) 11.714 7.857 ( 2.693 2.885 6.985) 8.023 7.966 ( 2.257 -4.640 -0.435) 5.178 8.206 ( -2.524 11.789 -9.820) 15.549 8.485 ( 12.249 2.681 -2.463) 12.778 8.565 ( -11.041 13.062 0.807) 17.122 8.818 ( 5.194 -5.116 -0.745) 7.329 9.007 ( -7.099 8.171 -7.663) 13.262 9.162 ( -7.550 3.916 1.163) 8.585 9.194 ( -11.783 -8.690 -4.455) 15.304 9.397 ( -5.576 -5.103 0.352) 7.567 9.801 ( -10.511 -3.368 1.843) 11.190 10.013 ( -14.303 0.224 -4.650) 15.041 10.099 ( -13.652 -7.159 -2.913) 15.688 10.157 ( -1.879 -0.728 8.715) 8.945 10.218 ( -11.126 -3.221 2.697) 11.893 10.472 ( -8.364 -7.596 6.479) 13.024 10.782 ( 7.798 0.663 1.927) 8.060 11.054 ( 8.258 -0.257 2.235) 8.559 11.163 ( 1.974 -4.022 -10.841) 11.730 11.223 ( 5.588 -1.701 -0.516) 5.863 11.695 ( 5.077 0.852 9.219) 10.559 11.849 ( 2.499 -2.890 -2.672) 4.662 12.140 ( 2.015 1.795 -0.822) 2.821 12.238 ( -0.262 -0.359 0.765) 0.885 12.337 ( 3.337 0.217 0.608) 3.399 12.364 ( 1.721 -2.219 -0.023) 2.808 12.508 ( 0.235 -0.910 3.033) 3.176 12.729 ( 0.419 0.329 0.890) 1.037 12.802 ( 8.566 -0.043 -2.104) 8.820 13.074 ( 4.690 0.650 -1.048) 4.849 13.179 ( -2.672 1.105 1.723) 3.366 13.308 ( -2.656 2.027 -0.935) 3.470 13.391 ( 2.390 -0.030 -1.730) 2.951 13.444 ( -2.415 0.207 -3.641) 4.375 13.678 ( 2.289 1.876 7.548) 8.108 13.746 ( -8.670 0.163 4.347) 9.700 14.007 ( -8.195 0.585 -1.388) 8.333 14.191 ( 8.703 1.260 -4.442) 9.852 14.697 ( -1.245 2.773 0.425) 3.069 14.796 ( -0.442 -1.482 -1.292) 2.015 14.973 ( -3.546 -0.889 1.213) 3.852 15.059 ( -6.769 -1.904 -1.295) 7.149 15.762 ( 5.945 -0.709 -2.235) 6.390 16.012 ( -3.771 -0.616 0.513) 3.856 ======================= Grid point 176 (77/168) ======================= q-point: (-0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -13.040 33.791 23.677) 43.272 4.450 ( 0.798 38.604 9.875) 39.855 4.845 ( -3.947 -20.751 16.428) 26.759 4.943 ( 3.895 24.370 -21.938) 33.020 5.443 ( -2.660 9.118 -29.945) 31.415 5.556 ( -0.674 -1.422 0.217) 1.589 5.701 ( 4.551 -9.791 -11.505) 15.778 5.930 ( 2.324 -10.596 5.984) 12.389 5.971 ( 15.947 -0.379 -9.257) 18.443 6.065 ( 2.189 13.236 9.187) 16.260 6.272 ( -1.625 6.920 -0.140) 7.110 6.506 ( 2.585 17.492 16.600) 24.253 6.698 ( -7.592 5.898 9.824) 13.746 7.062 ( 10.257 -3.165 2.316) 10.982 7.368 ( -10.134 -7.859 -3.915) 13.409 7.671 ( -11.330 5.717 -9.063) 15.594 7.895 ( -1.900 1.657 1.375) 2.872 7.978 ( -11.580 22.840 -7.474) 26.676 8.158 ( 11.985 10.607 1.586) 16.083 8.292 ( 10.254 -4.459 -3.479) 11.710 8.427 ( -5.248 15.929 3.072) 17.051 8.805 ( -6.762 2.099 -6.032) 9.301 8.941 ( -2.885 -3.893 -2.489) 5.448 9.137 ( 8.367 -11.002 -4.142) 14.430 9.224 ( -0.843 -11.552 -2.558) 11.862 9.460 ( 1.602 -11.185 3.048) 11.703 9.719 ( -4.394 -8.321 2.107) 9.643 9.789 ( -9.987 -3.941 -3.526) 11.300 9.941 ( -10.057 -8.172 0.233) 12.961 10.034 ( -10.338 -9.325 1.675) 14.023 10.221 ( 1.333 -2.999 5.879) 6.733 10.406 ( -8.033 -11.520 8.247) 16.287 10.884 ( 3.597 -0.022 2.968) 4.664 11.150 ( 2.862 -1.632 -1.436) 3.594 11.282 ( 4.411 -5.322 -9.281) 11.572 11.291 ( 0.764 -1.546 0.242) 1.741 11.773 ( 3.353 -2.227 8.642) 9.534 11.924 ( 1.511 -4.716 -0.167) 4.955 12.179 ( 3.611 1.214 -0.646) 3.864 12.235 ( -0.453 -1.826 1.795) 2.600 12.351 ( -0.616 0.218 0.382) 0.757 12.450 ( 2.945 -2.282 -1.139) 3.896 12.517 ( -0.249 -1.867 2.573) 3.188 12.721 ( -0.668 0.425 0.138) 0.804 12.947 ( 7.129 1.376 -2.894) 7.816 13.070 ( -3.040 3.744 2.776) 5.565 13.146 ( 0.841 0.525 -0.094) 0.996 13.259 ( -0.588 1.638 -1.786) 2.494 13.378 ( -3.146 1.024 -3.484) 4.804 13.411 ( -0.396 0.171 -3.124) 3.153 13.606 ( -3.781 0.974 3.068) 4.965 13.703 ( 0.169 2.622 6.156) 6.693 13.887 ( -4.118 -0.784 0.624) 4.238 14.297 ( 5.124 4.574 -5.094) 8.552 14.648 ( -0.565 4.026 1.152) 4.225 14.814 ( 1.054 -0.324 -2.024) 2.305 14.935 ( -2.066 -2.134 1.449) 3.305 14.995 ( -3.303 -4.311 -0.893) 5.504 15.861 ( 3.839 -0.610 -1.568) 4.192 15.960 ( -2.747 -1.623 0.234) 3.199 ======================= Grid point 177 (78/168) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -5.106 34.751 25.751) 43.553 4.056 ( -7.624 41.758 5.615) 42.818 4.817 ( 6.764 24.576 -19.635) 32.176 4.957 ( -5.664 -18.164 9.116) 21.098 5.212 ( -5.980 20.939 -26.878) 34.592 5.483 ( 2.537 20.593 9.031) 22.629 5.658 ( -0.553 47.542 12.189) 49.083 5.814 ( -1.010 2.186 -4.077) 4.735 5.999 ( 3.261 -6.259 -1.105) 7.143 6.178 ( 5.566 1.562 1.364) 5.940 6.381 ( 8.715 9.611 18.108) 22.276 6.522 ( -3.398 -8.671 4.113) 10.181 6.646 ( 9.951 -9.029 -10.129) 16.827 7.112 ( -1.846 7.078 -11.322) 13.479 7.309 ( -5.079 16.549 -5.799) 18.256 7.418 ( -4.803 26.167 -8.446) 27.912 7.537 ( -0.731 -10.837 -4.862) 11.900 7.869 ( -3.858 -1.631 0.652) 4.239 8.139 ( -1.993 12.924 5.828) 14.317 8.342 ( 8.834 9.157 7.382) 14.710 8.646 ( 3.725 -19.439 6.945) 20.976 8.747 ( 3.156 0.239 -8.061) 8.660 8.883 ( -3.432 -3.451 -3.818) 6.186 9.287 ( -0.815 -11.303 -1.973) 11.503 9.420 ( -0.977 -8.080 2.185) 8.427 9.522 ( -0.814 -18.258 -10.280) 20.969 9.750 ( -1.597 -5.237 1.050) 5.575 9.801 ( 4.586 -6.431 1.228) 7.993 9.893 ( -4.704 -12.201 -0.307) 13.080 10.012 ( 0.263 -9.596 -0.270) 9.604 10.288 ( 2.382 -5.406 5.294) 7.932 10.398 ( -4.065 -10.449 9.175) 14.488 10.915 ( -0.708 -0.842 3.378) 3.553 11.216 ( 1.275 -2.788 -3.982) 5.025 11.294 ( -1.741 -3.742 -0.414) 4.148 11.346 ( -0.256 -0.174 -6.678) 6.685 11.877 ( 0.759 -10.792 7.906) 13.399 11.986 ( 0.971 -5.722 0.536) 5.828 12.226 ( -1.406 -1.846 1.238) 2.631 12.255 ( 1.405 -1.627 0.931) 2.342 12.330 ( 0.291 0.848 -0.612) 1.086 12.479 ( -0.216 -0.644 2.921) 2.999 12.549 ( 0.036 -4.221 0.018) 4.221 12.703 ( -0.818 0.638 -1.130) 1.534 12.957 ( -1.981 3.149 -0.673) 3.780 13.031 ( 1.197 4.797 -1.263) 5.103 13.150 ( 1.302 2.015 1.546) 2.854 13.252 ( 0.555 0.902 -0.872) 1.372 13.341 ( 0.559 1.372 -3.730) 4.014 13.388 ( -1.348 -0.291 -3.629) 3.882 13.570 ( -0.492 0.613 2.247) 2.380 13.669 ( 0.229 3.581 4.334) 5.627 13.869 ( 0.376 -1.282 2.285) 2.647 14.290 ( 0.722 7.411 -5.357) 9.172 14.613 ( 0.586 4.160 2.346) 4.812 14.821 ( -0.545 0.772 -2.904) 3.054 14.936 ( -0.425 -3.159 1.030) 3.349 15.011 ( 0.427 -5.028 -0.696) 5.094 15.895 ( -0.214 -0.841 0.155) 0.881 15.956 ( -0.092 -2.433 -1.279) 2.750 ======================= Grid point 178 (79/168) ======================= q-point: (-0.27 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 6.985 31.307 26.501) 41.608 3.451 ( -10.851 47.636 4.626) 49.074 4.682 ( 0.169 28.210 -16.765) 32.816 4.834 ( 0.898 16.215 -21.233) 26.732 5.023 ( -4.620 3.871 -0.333) 6.037 5.347 ( 3.151 17.942 13.717) 22.804 5.436 ( 23.794 48.714 11.277) 55.375 5.778 ( 3.352 5.445 -3.952) 7.517 6.103 ( 5.582 6.090 9.015) 12.228 6.271 ( 7.980 -5.562 -4.315) 10.641 6.416 ( -2.218 -0.696 5.220) 5.714 6.568 ( -4.165 -11.557 8.206) 14.773 6.826 ( 2.609 0.685 -7.654) 8.116 6.979 ( 9.581 30.380 -25.590) 40.860 7.188 ( 1.667 1.084 -5.017) 5.397 7.261 ( -0.543 -1.943 3.450) 3.997 7.649 ( 5.701 2.207 -8.311) 10.317 7.851 ( -2.176 -4.924 -0.488) 5.405 8.117 ( 4.927 1.299 7.964) 9.454 8.364 ( 1.296 0.549 13.746) 13.818 8.719 ( -5.959 -8.865 2.043) 10.875 8.773 ( -3.757 -3.266 -0.101) 4.979 8.949 ( 6.775 1.102 -5.911) 9.058 9.298 ( -13.329 -12.277 -3.645) 18.484 9.401 ( -2.216 -8.075 0.342) 8.380 9.676 ( -2.399 -8.301 -1.949) 8.857 9.721 ( -2.117 -6.324 1.432) 6.821 9.931 ( 2.297 -4.297 1.566) 5.118 10.043 ( 8.755 -13.902 -0.676) 16.443 10.200 ( 10.522 -4.701 -3.897) 12.165 10.410 ( 0.698 -5.092 10.517) 11.706 10.449 ( 4.133 -10.140 -1.362) 11.034 10.883 ( -3.124 -0.147 3.501) 4.695 11.169 ( -5.371 3.571 -5.064) 8.201 11.270 ( -2.512 1.753 -3.940) 4.991 11.366 ( -2.287 -10.715 -2.477) 11.233 11.947 ( -3.652 -10.662 4.009) 11.962 12.055 ( -4.830 -9.788 5.271) 12.121 12.144 ( -3.439 1.800 -0.637) 3.934 12.303 ( 0.924 0.532 -0.445) 1.156 12.372 ( 2.078 -6.047 -0.300) 6.401 12.481 ( -1.430 -2.129 4.510) 5.189 12.590 ( 1.099 -4.140 0.920) 4.381 12.673 ( -1.888 0.761 -1.632) 2.609 12.917 ( 0.494 2.193 0.576) 2.321 12.981 ( -1.201 3.893 -3.789) 5.564 13.148 ( 0.854 4.936 3.945) 6.376 13.245 ( -1.086 1.583 -0.193) 1.930 13.302 ( -1.726 1.481 -5.245) 5.717 13.417 ( 3.543 1.173 -3.314) 4.991 13.556 ( 0.542 2.351 3.697) 4.415 13.674 ( 2.395 2.324 3.368) 4.741 13.904 ( 1.880 -1.013 -0.178) 2.143 14.214 ( -1.710 6.696 -3.514) 7.753 14.593 ( 1.418 4.434 3.020) 5.549 14.785 ( -1.101 1.883 -2.942) 3.662 14.974 ( 1.169 -3.685 0.627) 3.917 15.091 ( 3.300 -4.791 -1.667) 6.051 15.904 ( -0.002 -2.089 -0.190) 2.098 15.968 ( -0.908 -2.374 -0.716) 2.640 ======================= Grid point 179 (80/168) ======================= q-point: (-0.18 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 20.507 23.971 23.193) 39.155 3.071 ( 15.178 36.353 8.292) 40.257 4.465 ( 8.913 27.334 -21.111) 35.668 4.809 ( 10.178 16.055 -22.831) 29.709 4.943 ( 3.588 6.216 3.633) 8.044 5.346 ( 8.284 5.434 11.521) 15.195 5.583 ( 31.238 36.938 8.321) 49.086 5.845 ( 7.035 2.324 -3.218) 8.078 6.204 ( 17.093 19.569 10.769) 28.126 6.335 ( -5.275 -7.030 -11.624) 14.573 6.472 ( 4.289 -7.616 -4.472) 9.819 6.556 ( -6.277 -6.833 10.758) 14.206 6.849 ( 1.685 4.069 0.957) 4.507 6.910 ( 6.777 13.234 -7.498) 16.653 7.181 ( 1.630 9.247 -17.067) 19.479 7.338 ( 1.009 -7.956 8.123) 11.415 7.769 ( 6.204 -4.474 -5.951) 9.691 7.814 ( -4.756 -2.987 -3.941) 6.861 8.225 ( 0.623 -6.530 9.044) 11.172 8.410 ( 2.555 -0.151 8.592) 8.965 8.673 ( -7.507 -6.712 10.408) 14.482 8.709 ( -2.507 0.162 -4.017) 4.738 8.999 ( 0.219 4.813 -9.215) 10.399 9.164 ( -9.905 -6.715 3.073) 12.355 9.342 ( -7.622 -5.176 2.739) 9.612 9.660 ( -3.162 -4.851 -4.742) 7.485 9.789 ( 2.015 -4.744 2.261) 5.629 9.997 ( 3.548 0.183 2.258) 4.210 10.291 ( 3.987 -3.614 -0.778) 5.437 10.424 ( 10.455 -3.809 -1.831) 11.277 10.462 ( 3.701 -6.320 2.795) 7.839 10.614 ( 0.883 -2.798 -0.139) 2.937 10.826 ( -1.658 -1.737 1.947) 3.091 11.023 ( -5.259 2.456 -7.612) 9.573 11.223 ( -3.213 -3.121 -0.021) 4.479 11.374 ( -5.646 -6.788 -4.433) 9.880 11.923 ( -11.200 -3.097 3.618) 12.171 11.954 ( -3.947 -5.902 1.772) 7.318 12.135 ( -2.392 -5.105 2.345) 6.106 12.280 ( -1.899 1.180 -0.522) 2.296 12.446 ( -3.840 -0.999 3.150) 5.066 12.475 ( 0.457 -8.738 -0.665) 8.775 12.618 ( -3.252 -0.471 -0.369) 3.307 12.660 ( 1.459 -3.751 0.658) 4.078 12.929 ( 1.764 2.445 -3.989) 5.000 12.956 ( 1.028 -1.274 1.752) 2.397 13.056 ( -5.461 5.232 0.746) 7.600 13.183 ( -2.293 2.979 1.759) 4.150 13.314 ( 3.000 1.776 -2.904) 4.537 13.425 ( -0.829 3.921 -1.722) 4.362 13.568 ( 3.614 3.621 1.594) 5.359 13.680 ( 0.047 3.094 2.676) 4.091 13.943 ( 2.903 2.059 -1.803) 3.990 14.104 ( -4.809 4.386 -0.396) 6.521 14.602 ( 3.785 3.320 3.593) 6.185 14.789 ( 3.793 1.178 -2.326) 4.602 15.040 ( 2.352 -3.566 0.291) 4.281 15.202 ( 4.390 -4.229 -3.287) 6.925 15.919 ( -1.299 -2.266 2.975) 3.959 15.985 ( 1.136 -3.035 -3.225) 4.572 ======================= Grid point 180 (81/168) ======================= q-point: (-0.09 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 30.039 14.619 21.254) 39.595 3.432 ( 42.677 13.402 7.334) 45.329 4.541 ( 19.962 16.939 -19.849) 32.854 4.872 ( 10.237 12.327 -28.671) 32.845 5.080 ( 12.296 -2.400 0.328) 12.532 5.534 ( 13.975 0.541 11.581) 18.158 5.852 ( 14.683 8.873 3.920) 17.598 5.970 ( 16.461 9.857 2.769) 19.385 6.282 ( 5.109 7.738 3.035) 9.756 6.436 ( -0.920 0.596 3.851) 4.004 6.473 ( 7.038 1.151 -4.809) 8.601 6.572 ( 4.758 -3.523 -8.075) 10.013 6.855 ( -2.311 0.776 9.783) 10.083 6.954 ( 4.702 -1.489 1.474) 5.147 7.150 ( 7.317 10.481 -15.994) 20.474 7.364 ( -2.133 0.667 7.738) 8.054 7.761 ( -3.503 -4.030 -4.560) 7.022 7.920 ( 2.544 -9.108 -1.038) 9.514 8.144 ( -13.973 -1.040 9.820) 17.110 8.395 ( -5.916 1.199 -4.241) 7.377 8.599 ( -4.003 1.355 5.378) 6.840 8.652 ( -6.826 -1.918 3.124) 7.748 8.898 ( -3.989 -0.009 -5.650) 6.916 9.083 ( -2.971 1.011 10.139) 10.613 9.268 ( -4.098 -2.075 1.177) 4.741 9.689 ( 3.687 -2.203 -6.496) 7.788 9.872 ( 3.127 -3.827 1.537) 5.176 10.064 ( 5.726 4.125 2.962) 7.653 10.301 ( -2.089 0.172 -4.799) 5.237 10.454 ( -8.580 5.024 0.911) 9.984 10.542 ( 2.807 -1.488 1.957) 3.731 10.703 ( 8.416 -4.905 1.355) 9.835 10.871 ( -0.038 -5.082 0.253) 5.088 10.959 ( -1.363 0.696 -8.325) 8.464 11.182 ( -5.350 -2.156 2.138) 6.151 11.308 ( -5.000 -4.351 -5.520) 8.626 11.757 ( -8.381 -1.702 1.090) 8.622 11.935 ( -3.230 -4.245 2.266) 5.795 12.127 ( -3.189 -4.443 1.642) 5.710 12.230 ( -2.075 1.049 -1.808) 2.945 12.367 ( -5.029 -0.455 3.886) 6.372 12.520 ( -1.586 -3.857 -1.994) 4.623 12.572 ( -3.134 -2.995 1.846) 4.712 12.712 ( -0.405 -5.203 0.112) 5.220 12.880 ( -7.613 2.603 -0.388) 8.055 12.937 ( 0.651 2.370 -6.508) 6.957 13.021 ( 1.808 -1.985 1.468) 3.060 13.110 ( -3.776 0.779 2.825) 4.780 13.292 ( -2.778 6.264 0.063) 6.853 13.379 ( 0.960 2.874 1.387) 3.333 13.586 ( 0.439 4.685 -2.538) 5.347 13.612 ( -1.887 6.510 0.581) 6.803 13.943 ( -0.565 2.056 5.898) 6.272 14.052 ( 4.614 2.785 -3.081) 6.208 14.682 ( 6.872 1.163 3.351) 7.734 14.886 ( 6.516 -0.024 -1.792) 6.758 15.107 ( 1.451 -2.836 0.541) 3.231 15.314 ( 4.204 -3.224 -5.196) 7.421 15.900 ( -2.803 -2.368 6.433) 7.406 16.059 ( 3.601 -2.949 -5.358) 7.097 ======================= Grid point 186 (82/168) ======================= q-point: (-0.55 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( -15.287 -0.000 27.264) 31.258 4.397 ( -5.819 -0.000 10.556) 12.053 5.038 ( -5.498 -0.000 3.543) 6.541 5.209 ( 0.847 0.000 -0.148) 0.860 5.309 ( 7.893 0.000 -21.404) 22.813 5.412 ( 5.395 0.000 -9.738) 11.133 5.702 ( 5.680 0.000 -26.447) 27.050 5.834 ( 11.141 0.000 -25.326) 27.668 5.890 ( 6.337 0.000 13.637) 15.037 6.186 ( 4.844 0.000 5.277) 7.163 6.349 ( -0.374 -0.000 16.567) 16.571 6.706 ( 4.490 0.000 24.739) 25.143 6.849 ( 4.277 0.000 2.440) 4.924 7.002 ( 18.424 0.000 -0.800) 18.441 7.431 ( -19.053 -0.000 -2.307) 19.193 7.494 ( -17.097 -0.000 0.857) 17.119 7.895 ( -0.527 -0.000 5.630) 5.654 8.156 ( 19.316 0.000 -4.649) 19.867 8.305 ( 5.647 0.000 -14.166) 15.250 8.395 ( -15.049 -0.000 -0.790) 15.069 8.676 ( -18.156 -0.000 -9.734) 20.601 8.783 ( 13.356 0.000 -7.647) 15.390 8.904 ( -2.550 -0.000 0.887) 2.700 8.968 ( -6.903 -0.000 -9.986) 12.140 9.136 ( 5.385 0.000 2.266) 5.843 9.309 ( -4.030 -0.000 5.070) 6.477 9.645 ( -0.974 -0.000 1.743) 1.997 9.756 ( -15.052 -0.000 -0.715) 15.069 9.817 ( -10.817 -0.000 -4.349) 11.659 9.955 ( -12.798 -0.000 4.460) 13.553 10.203 ( 2.982 0.000 10.171) 10.599 10.282 ( -7.751 -0.000 7.738) 10.953 10.890 ( 3.264 0.000 4.040) 5.194 11.162 ( 1.411 0.000 -11.190) 11.279 11.189 ( 5.458 0.000 1.172) 5.583 11.283 ( 2.072 0.000 -0.355) 2.102 11.770 ( 1.661 0.000 8.979) 9.131 11.873 ( 2.013 0.000 -2.082) 2.896 12.193 ( 2.579 0.000 -0.695) 2.671 12.214 ( -1.761 -0.000 1.836) 2.544 12.352 ( 0.459 0.000 0.222) 0.510 12.431 ( 3.806 0.000 -1.950) 4.276 12.502 ( -0.496 -0.000 3.735) 3.767 12.726 ( -0.579 -0.000 -0.025) 0.580 12.959 ( 8.052 0.000 -1.844) 8.261 13.113 ( -3.925 -0.000 2.779) 4.809 13.143 ( 2.106 0.000 -1.220) 2.434 13.275 ( -1.551 -0.000 -1.914) 2.464 13.388 ( -3.433 -0.000 -2.828) 4.448 13.410 ( -0.326 -0.000 -3.494) 3.509 13.613 ( -4.614 -0.000 2.691) 5.342 13.728 ( 0.641 0.000 6.752) 6.782 13.881 ( -4.209 -0.000 1.023) 4.332 14.339 ( 6.209 0.000 -5.246) 8.128 14.694 ( -1.068 -0.000 0.679) 1.266 14.802 ( 1.303 0.000 -2.179) 2.539 14.917 ( -2.077 -0.000 1.549) 2.591 14.954 ( -3.485 -0.000 -0.196) 3.491 15.856 ( 4.390 0.000 -2.045) 4.843 15.945 ( -3.219 -0.000 0.497) 3.257 ======================= Grid point 188 (83/168) ======================= q-point: (-0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( -7.057 29.782 20.599) 36.893 4.450 ( -5.545 -17.079 9.365) 20.252 4.797 ( -5.643 22.011 3.353) 22.969 5.161 ( 1.408 10.499 -14.015) 17.568 5.444 ( 0.397 -3.871 -19.882) 20.259 5.517 ( 0.120 -9.677 -6.241) 11.516 5.716 ( 0.884 3.129 -14.598) 14.955 5.926 ( -0.002 5.097 11.614) 12.683 6.009 ( 0.217 -6.711 -6.297) 9.205 6.340 ( 4.301 -6.155 2.099) 7.797 6.415 ( 10.216 8.749 13.206) 18.850 6.682 ( 0.176 8.274 8.748) 12.042 6.864 ( 5.768 36.346 10.174) 38.182 7.012 ( -7.645 -2.716 11.192) 13.824 7.313 ( 4.496 -7.083 -5.232) 9.888 7.537 ( 10.102 -15.050 2.448) 18.290 7.847 ( -4.520 1.999 -0.608) 4.980 7.988 ( -6.466 31.115 -11.547) 33.813 8.206 ( -11.903 -5.891 -13.970) 19.276 8.419 ( -3.120 -2.095 -3.312) 5.010 8.592 ( 17.003 9.905 0.925) 19.699 8.800 ( -0.225 5.645 -1.748) 5.914 8.851 ( -2.398 0.936 -2.515) 3.599 9.039 ( -3.203 -14.812 -15.542) 21.708 9.252 ( 0.438 -7.335 1.604) 7.521 9.308 ( 4.876 -4.701 1.189) 6.876 9.605 ( -6.047 -10.108 3.414) 12.264 9.668 ( -2.466 -6.360 -0.097) 6.822 9.778 ( 0.835 -2.221 0.654) 2.461 9.815 ( 2.543 -8.095 1.774) 8.668 10.198 ( -2.670 -3.787 5.620) 7.284 10.268 ( 1.403 -3.172 12.791) 13.252 10.909 ( -0.790 0.219 3.471) 3.566 11.178 ( 1.217 -0.006 -6.648) 6.758 11.256 ( -0.818 -2.029 0.746) 2.312 11.323 ( 1.951 -1.913 -5.457) 6.103 11.761 ( -3.328 -2.322 9.875) 10.676 11.912 ( 0.823 -2.418 -0.838) 2.689 12.196 ( -0.576 -1.134 0.537) 1.380 12.234 ( 1.525 -0.650 0.783) 1.833 12.350 ( -0.595 0.811 -0.787) 1.277 12.468 ( 0.052 -0.388 -1.369) 1.424 12.501 ( 0.036 -1.156 3.916) 4.083 12.713 ( -0.742 0.363 -1.319) 1.557 13.001 ( -2.540 1.505 -1.153) 3.170 13.111 ( 2.798 3.882 0.943) 4.877 13.160 ( 1.757 -1.144 0.350) 2.125 13.262 ( 0.436 0.264 -1.193) 1.298 13.354 ( 0.871 0.213 -2.194) 2.371 13.382 ( -2.553 -0.219 -4.515) 5.192 13.578 ( 0.009 0.240 1.979) 1.994 13.712 ( -0.638 1.154 3.059) 3.331 13.863 ( 0.964 0.166 4.769) 4.869 14.387 ( 0.460 3.117 -5.945) 6.728 14.671 ( 0.124 2.006 1.407) 2.453 14.820 ( 0.045 -0.554 -2.350) 2.415 14.899 ( -0.479 -0.864 1.390) 1.705 14.939 ( 0.614 -2.577 0.190) 2.656 15.892 ( -1.240 0.395 -0.512) 1.399 15.919 ( 0.755 -1.555 -1.031) 2.013 ======================= Grid point 189 (84/168) ======================= q-point: (-0.36 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 2.464 30.192 17.807) 35.138 4.227 ( -9.710 38.210 0.211) 39.425 4.647 ( -7.084 -17.740 6.506) 20.180 5.106 ( 4.661 13.097 -16.325) 21.442 5.325 ( -1.902 21.205 -22.047) 30.648 5.615 ( -2.649 -19.721 -4.478) 20.395 5.685 ( -4.501 6.021 2.750) 8.004 5.825 ( -1.772 4.776 3.967) 6.457 6.044 ( 3.880 0.416 -4.292) 5.801 6.384 ( -2.954 -9.131 16.535) 19.118 6.468 ( 5.715 13.158 0.782) 14.366 6.583 ( 1.326 11.337 13.600) 17.755 6.806 ( 8.038 6.973 -3.494) 11.201 7.061 ( 2.022 -3.432 22.023) 22.380 7.311 ( -2.977 7.402 -5.494) 9.686 7.652 ( 10.692 31.231 -20.693) 38.960 7.751 ( -3.317 1.821 -2.601) 4.592 7.880 ( 11.120 7.623 -9.635) 16.571 8.098 ( -2.714 -2.156 -2.813) 4.463 8.374 ( -8.364 -9.111 10.658) 16.327 8.623 ( 6.520 11.707 8.535) 15.888 8.815 ( 0.199 4.488 -5.505) 7.105 8.972 ( 6.962 -2.840 -3.338) 8.226 9.006 ( -5.022 -15.467 -17.533) 23.913 9.260 ( -5.735 -8.340 3.243) 10.629 9.504 ( 0.521 -9.799 1.310) 9.900 9.614 ( 1.712 -5.406 0.867) 5.736 9.792 ( 7.779 -12.418 -1.091) 14.694 9.865 ( 7.466 -3.921 -0.327) 8.439 10.082 ( 12.277 -8.089 0.517) 14.712 10.267 ( 4.171 -9.015 0.952) 9.979 10.325 ( 1.228 -4.018 12.887) 13.555 10.872 ( -3.093 -0.391 2.639) 4.084 11.203 ( -4.760 0.546 -1.833) 5.130 11.209 ( -0.937 -4.414 -1.974) 4.925 11.326 ( -2.591 1.499 -8.110) 8.645 11.734 ( -5.381 -10.236 9.357) 14.876 11.940 ( -1.170 -4.027 0.521) 4.226 12.185 ( -1.385 2.026 -0.832) 2.591 12.268 ( 0.702 -3.527 1.098) 3.760 12.324 ( -1.511 0.130 -0.319) 1.550 12.453 ( -2.085 -1.160 -0.167) 2.392 12.530 ( 1.302 -2.400 3.976) 4.824 12.687 ( -1.547 0.644 -1.652) 2.353 12.949 ( -1.120 1.427 2.002) 2.702 13.056 ( -2.554 3.897 -4.084) 6.196 13.226 ( 3.870 3.426 4.192) 6.655 13.269 ( 0.121 0.971 -0.340) 1.036 13.315 ( -3.736 0.059 -5.561) 6.700 13.426 ( 5.869 0.022 -3.511) 6.840 13.588 ( 1.385 1.226 3.646) 4.089 13.709 ( 1.181 1.463 3.984) 4.405 13.897 ( 3.042 0.036 1.762) 3.516 14.312 ( -4.326 4.030 -4.549) 7.460 14.665 ( 1.552 3.497 1.451) 4.092 14.809 ( -0.682 0.724 -2.035) 2.265 14.918 ( 1.148 -2.261 0.849) 2.674 15.010 ( 3.501 -4.088 -0.442) 5.400 15.877 ( -0.284 -0.892 -1.860) 2.083 15.932 ( -1.005 -1.658 0.247) 1.954 ======================= Grid point 190 (85/168) ======================= q-point: (-0.27 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 14.328 25.735 14.314) 32.749 3.750 ( 1.321 39.254 2.748) 39.372 4.695 ( -0.910 -8.211 -2.435) 8.612 5.069 ( 0.787 12.261 -20.658) 24.035 5.122 ( 7.865 22.711 -13.271) 27.454 5.508 ( -3.715 4.818 8.586) 10.523 5.786 ( 3.617 -13.268 -3.170) 14.113 5.829 ( 0.196 -5.569 -3.293) 6.473 6.133 ( 6.383 3.486 -0.613) 7.299 6.456 ( 2.375 -6.730 15.484) 17.049 6.487 ( 5.725 6.051 -2.884) 8.816 6.544 ( 3.085 7.933 8.078) 11.735 6.838 ( -2.153 -0.246 4.927) 5.383 7.082 ( -0.389 6.077 2.884) 6.738 7.240 ( 4.440 2.986 14.524) 15.479 7.549 ( 4.711 24.672 -20.288) 32.288 7.710 ( -1.798 -2.036 -2.091) 3.429 7.937 ( 3.162 11.341 -12.265) 17.001 8.093 ( 1.280 -5.589 3.864) 6.914 8.404 ( 2.349 -3.628 7.195) 8.393 8.596 ( -5.020 -1.299 7.155) 8.836 8.760 ( 0.648 6.164 -5.990) 8.619 9.021 ( -5.615 -4.091 -4.950) 8.531 9.098 ( 5.698 1.683 -1.405) 6.106 9.237 ( -1.868 -5.667 0.495) 5.988 9.549 ( -1.075 -7.420 -2.418) 7.878 9.727 ( 5.524 -1.820 2.181) 6.211 9.993 ( 7.380 -0.204 -1.232) 7.485 10.150 ( 13.268 -11.960 0.974) 17.890 10.346 ( 9.576 -3.892 -0.949) 10.380 10.380 ( 2.348 -4.062 5.345) 7.112 10.490 ( 7.764 -9.688 -0.704) 12.435 10.815 ( -3.835 -0.523 3.259) 5.060 11.048 ( -9.788 0.236 -2.965) 10.229 11.200 ( -5.547 -0.341 -5.934) 8.130 11.256 ( -2.977 -4.382 -2.126) 5.708 11.740 ( -6.003 -12.326 7.230) 15.500 11.923 ( -4.068 -2.186 0.280) 4.627 12.117 ( -2.481 2.844 0.491) 3.806 12.288 ( -2.732 -0.452 -0.151) 2.774 12.327 ( 0.497 -6.402 -0.448) 6.437 12.421 ( -2.924 -2.027 0.330) 3.573 12.578 ( 0.104 -3.224 4.143) 5.251 12.650 ( -1.251 1.060 -1.913) 2.520 12.944 ( 1.232 0.386 4.837) 5.006 12.981 ( -2.007 2.561 -5.129) 6.074 13.149 ( -6.419 4.728 -0.583) 7.993 13.237 ( -1.508 2.768 0.809) 3.254 13.333 ( 4.202 0.630 -1.081) 4.385 13.495 ( 1.476 3.842 -3.716) 5.545 13.615 ( 3.718 1.732 4.152) 5.836 13.712 ( -0.357 0.683 4.551) 4.616 13.976 ( 5.962 1.525 -1.875) 6.433 14.176 ( -6.599 3.418 -2.279) 7.773 14.666 ( 2.521 3.824 2.357) 5.151 14.807 ( 2.011 0.733 -1.401) 2.558 14.981 ( 3.056 -2.921 0.057) 4.228 15.125 ( 4.803 -4.323 -2.032) 6.774 15.886 ( -0.984 -1.303 1.501) 2.218 15.933 ( 0.563 -2.700 -2.632) 3.812 ======================= Grid point 191 (86/168) ======================= q-point: (-0.18 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( 22.812 20.299 12.437) 32.972 3.745 ( 29.524 21.422 4.388) 36.740 4.779 ( 8.722 4.657 -11.048) 14.826 5.014 ( 2.319 1.610 -14.539) 14.810 5.164 ( 15.095 17.996 -17.269) 29.153 5.523 ( 3.562 -5.823 5.348) 8.671 5.810 ( -4.830 -3.283 -0.205) 5.843 6.009 ( 2.487 -17.897 -4.169) 18.544 6.219 ( 9.599 7.124 2.985) 12.320 6.463 ( -5.311 1.774 7.735) 9.549 6.559 ( 3.508 -2.255 -4.483) 6.123 6.618 ( 6.708 -0.481 5.852) 8.914 6.817 ( 3.461 0.326 6.980) 7.797 7.026 ( 3.881 11.095 6.655) 13.507 7.343 ( 4.634 -0.071 19.730) 20.267 7.391 ( -3.000 10.194 -12.067) 16.078 7.705 ( -1.737 -5.309 -2.734) 6.220 7.885 ( 1.842 7.936 -9.083) 12.202 8.152 ( 0.013 1.764 6.096) 6.346 8.415 ( -4.277 1.554 -4.405) 6.333 8.532 ( -5.627 -9.205 4.115) 11.547 8.665 ( -7.715 3.245 4.494) 9.500 8.925 ( -1.309 4.666 -8.431) 9.725 9.149 ( 1.823 5.672 6.014) 8.466 9.243 ( -1.089 -0.545 -1.666) 2.064 9.650 ( 7.953 -2.412 -6.639) 10.637 9.827 ( 4.769 -0.613 2.269) 5.317 10.123 ( 8.232 2.670 -1.384) 8.764 10.325 ( 0.699 2.257 1.423) 2.758 10.489 ( 4.751 -4.969 1.526) 7.042 10.547 ( -7.414 3.608 0.068) 8.246 10.580 ( 9.316 -6.840 0.390) 11.564 10.781 ( -0.002 -5.036 0.856) 5.108 10.940 ( -2.450 -3.145 -6.703) 7.799 11.107 ( -5.075 -4.431 -1.260) 6.854 11.232 ( -4.629 -4.821 -1.430) 6.835 11.712 ( -6.619 -5.654 4.860) 9.970 11.863 ( -2.743 -1.782 -0.294) 3.284 12.075 ( -1.026 -0.717 0.404) 1.315 12.236 ( -3.252 -0.553 -0.881) 3.415 12.349 ( -3.794 -2.345 4.481) 6.323 12.412 ( -0.835 -5.536 -3.205) 6.452 12.565 ( -2.209 -0.150 1.580) 2.720 12.644 ( -0.457 -2.111 -0.371) 2.191 12.919 ( -4.560 1.189 -0.799) 4.779 12.976 ( 0.464 1.786 0.704) 1.975 13.003 ( -2.526 1.064 -1.312) 3.039 13.156 ( -4.183 3.660 0.650) 5.596 13.396 ( 3.041 2.219 -0.253) 3.773 13.417 ( -3.885 4.847 1.513) 6.394 13.646 ( -1.590 2.084 -1.610) 3.076 13.688 ( -0.133 1.902 3.714) 4.175 14.005 ( -3.212 4.564 1.319) 5.735 14.102 ( 6.335 2.715 -2.615) 7.372 14.709 ( 5.132 1.850 3.094) 6.271 14.878 ( 5.222 -0.962 -1.143) 5.432 15.062 ( 2.724 -2.179 0.091) 3.490 15.251 ( 5.068 -3.745 -4.276) 7.616 15.861 ( -2.799 -1.891 6.149) 7.016 16.006 ( 4.081 -2.898 -5.804) 7.664 ======================= Grid point 192 (87/168) ======================= q-point: (-0.09 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( 30.914 10.885 12.352) 35.024 4.302 ( 41.465 8.589 4.605) 42.595 4.882 ( 6.125 5.265 -13.886) 16.064 5.029 ( -0.302 3.712 -17.652) 18.041 5.315 ( 10.218 3.235 -16.052) 19.301 5.666 ( 2.247 -13.218 2.643) 13.666 5.778 ( -1.374 -5.538 0.925) 5.780 6.170 ( 5.704 -2.518 1.029) 6.319 6.280 ( -12.689 -0.670 -3.144) 13.090 6.386 ( 10.755 -1.629 2.010) 11.062 6.631 ( -3.468 -10.914 -7.305) 13.583 6.737 ( 5.772 1.634 16.113) 17.193 6.950 ( 12.967 8.436 3.135) 15.784 7.039 ( 4.868 6.197 5.738) 9.748 7.315 ( -0.850 -5.084 -2.122) 5.574 7.386 ( 3.617 7.888 16.631) 18.759 7.746 ( 1.035 -4.679 -2.789) 5.544 7.856 ( -0.976 1.465 -0.236) 1.776 8.021 ( -7.061 11.308 5.550) 14.441 8.219 ( -12.956 1.991 -3.298) 13.517 8.496 ( -6.993 3.734 3.434) 8.639 8.517 ( -6.158 -5.838 0.724) 8.516 8.854 ( -1.537 3.728 -8.940) 9.807 9.116 ( -0.297 4.540 4.716) 6.553 9.216 ( -0.045 -0.979 -3.492) 3.627 9.849 ( 12.317 2.460 -3.226) 12.968 9.917 ( 3.537 -1.757 1.104) 4.101 10.165 ( -7.501 6.108 -2.824) 10.077 10.273 ( 2.416 1.846 -6.043) 6.765 10.372 ( -0.651 2.631 7.479) 7.955 10.579 ( 2.781 -0.110 2.197) 3.546 10.741 ( -1.810 -6.276 -1.783) 6.771 10.825 ( 1.800 -2.764 2.763) 4.303 10.947 ( 0.626 -0.218 -6.626) 6.659 11.106 ( -0.454 -5.340 -0.594) 5.392 11.190 ( -3.412 -3.008 0.243) 4.555 11.626 ( -4.726 -0.542 1.161) 4.896 11.866 ( -0.446 -3.624 0.681) 3.715 12.086 ( 1.114 -1.006 -1.916) 2.434 12.185 ( -2.851 -0.618 -1.852) 3.455 12.285 ( -3.371 0.124 5.242) 6.234 12.435 ( -2.156 -5.001 -1.549) 5.662 12.544 ( 0.251 0.031 1.229) 1.254 12.645 ( -2.578 -3.365 -1.134) 4.388 12.778 ( -6.126 3.563 0.373) 7.096 12.937 ( -2.690 1.065 -7.015) 7.589 13.026 ( 1.277 -2.383 4.805) 5.513 13.040 ( -4.573 3.055 -0.770) 5.553 13.292 ( -3.191 6.188 3.774) 7.919 13.416 ( 0.759 1.342 2.726) 3.132 13.555 ( -6.331 0.760 -3.584) 7.315 13.618 ( -2.711 4.610 0.039) 5.348 13.976 ( 2.741 0.987 5.051) 5.831 14.210 ( 7.453 3.641 -2.515) 8.668 14.815 ( 6.822 0.107 2.026) 7.117 14.983 ( 4.609 -1.234 -0.823) 4.842 15.102 ( -0.092 -1.235 0.810) 1.480 15.361 ( 3.797 -2.381 -6.159) 7.617 15.828 ( -2.935 -1.925 8.179) 8.901 16.108 ( 4.389 -2.156 -5.940) 7.694 ======================= Grid point 199 (88/168) ======================= q-point: ( 0.55 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( -1.510 -0.000 14.418) 14.497 4.285 ( 0.202 0.000 6.236) 6.239 4.864 ( -3.917 -0.000 -2.774) 4.800 5.009 ( -15.882 -0.000 -1.640) 15.966 5.429 ( -0.558 -0.000 -22.035) 22.042 5.451 ( 0.321 0.000 -9.484) 9.490 5.790 ( 3.893 0.000 -15.080) 15.574 5.933 ( -3.163 -0.000 -13.161) 13.535 6.011 ( 4.316 0.000 14.171) 14.814 6.231 ( -8.983 -0.000 19.979) 21.905 6.559 ( 3.093 0.000 16.774) 17.057 6.648 ( -2.972 -0.000 -8.832) 9.319 6.965 ( -9.005 -0.000 2.863) 9.449 7.043 ( 4.574 0.000 25.668) 26.072 7.507 ( 9.981 0.000 -2.666) 10.330 7.767 ( -5.024 -0.000 0.184) 5.027 7.793 ( 23.257 0.000 10.368) 25.463 7.955 ( -5.538 -0.000 -7.441) 9.275 8.170 ( 1.640 0.000 -11.576) 11.692 8.303 ( -5.944 -0.000 -12.932) 14.233 8.697 ( -6.691 -0.000 -20.365) 21.436 8.828 ( 4.131 0.000 -0.035) 4.131 8.903 ( -2.886 -0.000 1.582) 3.291 8.997 ( 15.616 0.000 -6.754) 17.014 9.141 ( -7.292 -0.000 2.582) 7.735 9.398 ( 0.329 0.000 3.840) 3.854 9.581 ( 9.378 0.000 -0.312) 9.383 9.634 ( 7.070 0.000 2.524) 7.507 9.826 ( 9.019 0.000 -3.488) 9.670 9.990 ( 13.130 0.000 3.572) 13.607 10.181 ( 3.312 0.000 2.566) 4.190 10.287 ( 1.413 0.000 13.633) 13.706 10.872 ( -3.138 -0.000 2.957) 4.311 11.186 ( -0.197 -0.000 -7.881) 7.884 11.198 ( -5.495 -0.000 2.486) 6.031 11.329 ( -0.594 -0.000 -7.053) 7.078 11.644 ( -7.309 -0.000 9.352) 11.870 11.904 ( -0.630 -0.000 -0.098) 0.638 12.201 ( 1.295 0.000 -1.602) 2.060 12.238 ( -0.655 -0.000 2.133) 2.232 12.326 ( -2.496 -0.000 -0.397) 2.528 12.442 ( -2.493 -0.000 -1.809) 3.080 12.509 ( 1.182 0.000 5.590) 5.714 12.693 ( -1.477 -0.000 -1.773) 2.307 12.962 ( -1.786 -0.000 2.619) 3.170 13.095 ( -3.542 -0.000 -4.099) 5.417 13.256 ( 5.998 0.000 3.800) 7.100 13.277 ( 0.473 0.000 -0.457) 0.657 13.315 ( -4.467 -0.000 -5.297) 6.929 13.425 ( 6.662 0.000 -3.317) 7.442 13.599 ( 1.692 0.000 3.223) 3.640 13.722 ( 0.695 0.000 4.104) 4.163 13.899 ( 3.010 0.000 2.587) 3.969 14.349 ( -5.594 -0.000 -4.856) 7.408 14.702 ( 2.231 0.000 0.393) 2.265 14.811 ( -0.676 -0.000 -1.656) 1.788 14.902 ( 1.074 0.000 1.312) 1.696 14.966 ( 3.628 0.000 0.091) 3.629 15.870 ( -0.442 -0.000 -2.950) 2.983 15.916 ( -1.010 -0.000 1.036) 1.447 ======================= Grid point 201 (89/168) ======================= q-point: (-0.36 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 8.761 20.798 7.281) 23.713 4.411 ( 2.679 8.508 -1.324) 9.018 4.445 ( -6.586 11.739 2.140) 13.629 5.053 ( -6.743 -29.534 -5.377) 30.768 5.317 ( -4.932 8.450 -17.509) 20.057 5.487 ( 1.755 2.117 -8.579) 9.009 5.749 ( 1.808 9.770 -9.327) 13.628 5.907 ( -0.058 5.979 5.566) 8.169 6.094 ( 7.986 -3.110 -3.241) 9.163 6.258 ( 1.791 -13.675 16.086) 21.189 6.567 ( -1.239 1.513 10.185) 10.371 6.617 ( -1.289 2.525 -8.316) 8.786 6.841 ( -3.287 -0.116 8.955) 9.540 7.082 ( -0.819 -1.095 23.360) 23.400 7.461 ( -1.334 10.165 2.204) 10.487 7.673 ( -5.172 -1.171 0.619) 5.339 7.921 ( -0.491 14.746 -5.146) 15.626 8.080 ( -7.058 1.792 -8.242) 10.998 8.117 ( 6.529 9.875 -9.523) 15.194 8.279 ( 11.461 -9.567 5.966) 16.077 8.532 ( -14.173 -5.970 -5.936) 16.484 8.905 ( 0.256 7.635 -4.218) 8.726 9.004 ( 5.498 1.598 -0.281) 5.733 9.067 ( 8.071 -4.532 -3.170) 9.784 9.224 ( 9.531 3.751 -5.613) 11.679 9.408 ( -0.155 -7.544 1.961) 7.796 9.751 ( 10.697 5.017 -0.097) 11.815 9.918 ( 14.958 -10.891 0.712) 18.517 10.022 ( 11.172 1.237 -3.147) 11.673 10.257 ( 13.147 -4.925 2.244) 14.217 10.311 ( 6.534 -4.005 0.756) 7.701 10.350 ( 5.008 -3.664 8.510) 10.532 10.810 ( -3.372 0.179 3.413) 4.801 11.048 ( -10.757 0.139 2.226) 10.986 11.165 ( -2.891 -1.703 -6.943) 7.711 11.255 ( -7.101 1.135 -7.843) 10.641 11.557 ( -4.917 -6.467 8.119) 11.485 11.889 ( -1.627 -1.125 0.077) 1.979 12.187 ( -1.897 3.916 0.894) 4.442 12.244 ( 0.172 -2.624 -1.496) 3.025 12.274 ( -2.922 -1.462 0.167) 3.271 12.390 ( -3.424 -1.105 -0.080) 3.598 12.536 ( 0.582 -1.297 5.355) 5.541 12.664 ( -1.491 0.408 -2.049) 2.566 12.952 ( 0.792 0.357 6.624) 6.681 13.017 ( -3.989 1.206 -5.054) 6.551 13.206 ( -6.377 1.574 -3.127) 7.275 13.268 ( -1.284 0.593 -0.965) 1.712 13.350 ( 4.546 1.119 2.101) 5.131 13.547 ( 5.050 1.692 -6.146) 8.133 13.632 ( 2.636 0.357 6.184) 6.732 13.713 ( -2.080 -0.232 6.125) 6.473 13.995 ( 7.613 0.547 -1.747) 7.830 14.218 ( -7.166 1.223 -3.043) 7.881 14.730 ( 1.973 2.863 1.311) 3.716 14.806 ( 0.363 -0.809 -0.975) 1.318 14.946 ( 3.578 -0.904 0.254) 3.699 15.063 ( 5.481 -2.204 -1.145) 6.017 15.876 ( -0.772 0.224 0.237) 0.838 15.894 ( 0.190 -1.689 -2.028) 2.646 ======================= Grid point 202 (90/168) ======================= q-point: (-0.27 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 19.208 19.400 2.905) 27.454 4.176 ( 13.154 26.633 1.485) 29.742 4.665 ( 9.106 -12.335 -3.986) 15.842 5.149 ( -3.495 8.620 -14.281) 17.043 5.199 ( -1.967 -22.363 -4.872) 22.972 5.509 ( 7.827 8.712 -11.000) 16.067 5.706 ( -5.638 -1.056 -6.010) 8.308 5.935 ( 9.942 5.369 9.919) 15.035 6.266 ( 6.677 -1.803 -1.387) 7.054 6.424 ( 2.104 -6.802 7.928) 10.656 6.498 ( -5.648 -2.479 5.334) 8.154 6.552 ( -2.706 -1.480 -9.891) 10.361 6.840 ( 2.665 -1.937 8.215) 8.850 7.100 ( 0.990 -2.125 17.007) 17.168 7.398 ( 1.252 7.530 20.443) 21.822 7.591 ( -4.743 5.037 -4.987) 8.528 7.665 ( -5.196 6.916 -0.227) 8.653 8.019 ( -1.334 2.901 -13.877) 14.240 8.178 ( 2.692 0.415 -0.757) 2.827 8.321 ( -12.049 -11.299 -5.735) 17.485 8.492 ( 5.941 6.468 6.063) 10.672 8.733 ( -10.649 3.421 6.216) 12.796 9.050 ( 4.746 7.561 -6.260) 10.903 9.245 ( 0.640 2.571 -2.689) 3.775 9.257 ( 4.265 4.301 -2.454) 6.535 9.580 ( 10.722 -5.779 -6.209) 13.671 9.880 ( 9.600 6.831 1.252) 11.849 10.183 ( 10.235 4.368 -3.876) 11.784 10.281 ( 11.296 -9.692 3.522) 15.295 10.404 ( 3.488 -0.932 1.244) 3.819 10.515 ( 10.718 -1.818 1.875) 11.031 10.526 ( 2.914 -6.181 -1.539) 7.005 10.739 ( -5.500 0.796 4.316) 7.037 10.866 ( -5.826 -3.424 -0.736) 6.798 11.064 ( -8.532 -0.816 -8.290) 11.924 11.143 ( -4.956 -4.637 -0.458) 6.802 11.566 ( -2.418 -8.630 5.480) 10.505 11.862 ( -1.700 0.437 -0.643) 1.869 12.110 ( -1.575 4.086 0.958) 4.483 12.211 ( -3.849 -1.839 -0.960) 4.373 12.296 ( 0.297 -2.953 -0.042) 2.968 12.346 ( -2.646 -2.446 0.255) 3.612 12.544 ( -1.251 -1.578 4.041) 4.515 12.634 ( -1.350 0.173 -1.954) 2.382 12.930 ( -4.501 0.385 -4.239) 6.195 12.981 ( 1.308 -0.028 7.800) 7.909 13.062 ( -5.994 3.561 -1.513) 7.134 13.215 ( -3.042 2.567 -2.096) 4.498 13.404 ( 1.914 0.333 1.852) 2.684 13.514 ( -3.434 4.288 -1.659) 5.739 13.652 ( -5.718 -0.885 3.623) 6.827 13.705 ( 3.467 0.487 1.873) 3.971 14.080 ( -4.026 3.403 -1.106) 5.386 14.142 ( 7.807 1.642 -2.161) 8.266 14.747 ( 3.246 2.361 2.840) 4.917 14.852 ( 3.489 -1.890 -0.588) 4.011 15.033 ( 4.215 -1.020 -0.286) 4.346 15.191 ( 6.069 -2.773 -3.445) 7.509 15.836 ( -2.835 -0.880 6.211) 6.884 15.962 ( 4.636 -1.871 -6.655) 8.324 ======================= Grid point 203 (91/168) ======================= q-point: (-0.18 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.210 ( 24.070 14.860 5.623) 28.841 4.486 ( 35.151 11.703 0.777) 37.056 4.943 ( 10.254 -2.869 -9.449) 14.236 5.020 ( -4.250 1.561 -14.050) 14.762 5.345 ( -5.671 -11.692 -8.082) 15.303 5.530 ( -3.527 -0.724 -3.546) 5.054 5.650 ( 10.578 0.864 -5.724) 12.058 6.164 ( 14.556 1.538 9.308) 17.346 6.294 ( -10.572 0.351 -3.044) 11.007 6.332 ( -3.797 -4.442 0.359) 5.855 6.459 ( -2.566 -6.186 -5.692) 8.789 6.693 ( 9.643 -5.112 5.750) 12.336 6.970 ( 4.651 -8.392 5.998) 11.315 7.155 ( 4.937 3.784 12.985) 14.398 7.276 ( -5.683 6.272 6.606) 10.737 7.537 ( 5.994 7.386 10.182) 13.934 7.658 ( 3.229 -2.173 6.300) 7.405 7.927 ( -4.270 4.311 -9.011) 10.863 8.136 ( -6.931 -0.455 1.495) 7.105 8.281 ( -7.919 -6.696 -5.740) 11.853 8.351 ( -11.528 1.828 10.150) 15.468 8.598 ( -0.019 7.097 1.794) 7.320 8.979 ( -5.589 7.183 -8.862) 12.703 9.196 ( -1.808 4.572 0.463) 4.938 9.235 ( -0.611 3.057 -6.656) 7.350 9.819 ( 9.826 -4.219 -6.418) 12.472 9.988 ( 9.322 8.478 2.692) 12.885 10.265 ( -4.395 4.282 -4.440) 7.574 10.318 ( -4.553 3.511 -4.475) 7.286 10.426 ( -1.441 2.006 6.618) 7.064 10.562 ( 6.398 -3.397 2.907) 7.806 10.650 ( 1.533 -1.823 -0.379) 2.412 10.770 ( 4.975 -2.919 0.624) 5.802 10.899 ( 1.441 -5.018 -2.847) 5.947 10.988 ( -1.572 -5.506 -4.371) 7.204 11.121 ( -2.123 -5.381 2.818) 6.434 11.598 ( -1.248 -4.018 2.850) 5.081 11.834 ( 0.066 0.758 0.231) 0.795 12.081 ( 0.707 1.055 -1.999) 2.368 12.165 ( -2.491 -1.667 -1.736) 3.464 12.286 ( -1.744 0.175 4.906) 5.210 12.358 ( -0.577 -3.974 -2.628) 4.799 12.537 ( -0.296 -0.965 2.955) 3.123 12.611 ( -1.495 -0.679 -1.476) 2.208 12.821 ( -6.471 0.894 -2.505) 6.996 12.946 ( -3.924 0.359 -4.870) 6.264 13.003 ( 0.127 0.600 10.476) 10.494 13.123 ( -2.968 4.943 -4.592) 7.371 13.376 ( -4.015 2.572 4.004) 6.226 13.442 ( -0.229 1.490 0.263) 1.530 13.527 ( -8.310 -1.695 1.988) 8.711 13.700 ( -2.792 3.255 -2.243) 4.839 14.004 ( -0.610 1.920 1.774) 2.684 14.264 ( 6.776 2.334 -1.395) 7.301 14.821 ( 5.974 0.644 2.304) 6.435 14.950 ( 4.404 -2.464 -0.525) 5.074 15.091 ( 1.222 -0.082 0.414) 1.293 15.319 ( 5.340 -2.207 -5.647) 8.079 15.801 ( -2.288 -1.154 8.203) 8.594 16.074 ( 5.585 -1.650 -6.518) 8.741 ======================= Grid point 204 (92/168) ======================= q-point: (-0.09 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.615 ( 29.596 6.008 7.217) 31.050 4.760 ( -19.402 -1.197 -9.513) 21.642 5.006 ( 4.075 5.415 0.100) 6.778 5.067 ( 14.644 5.940 -2.789) 16.047 5.307 ( 8.868 -7.796 -12.839) 17.443 5.636 ( 0.923 -7.167 -7.081) 10.118 5.886 ( 15.862 3.766 -0.406) 16.308 5.999 ( -15.068 -1.136 -8.186) 17.186 6.229 ( -11.700 -6.873 -2.835) 13.863 6.459 ( -2.525 -7.023 -5.845) 9.479 6.509 ( 13.412 -1.366 6.497) 14.965 6.919 ( 12.476 4.496 0.879) 13.290 7.058 ( -8.723 -17.464 10.706) 22.265 7.190 ( 4.777 12.825 11.959) 18.175 7.228 ( 6.996 5.374 7.227) 11.404 7.562 ( -0.976 6.368 11.457) 13.144 7.783 ( 3.524 -1.984 -4.028) 5.708 7.867 ( 2.047 1.268 4.546) 5.144 7.890 ( -11.728 4.147 3.198) 12.845 8.015 ( -10.026 1.820 4.358) 11.083 8.316 ( -8.635 -7.017 -3.457) 11.651 8.496 ( -2.259 7.106 4.657) 8.791 8.819 ( -4.275 -0.005 -9.923) 10.805 9.048 ( -9.052 -1.565 -7.820) 12.064 9.302 ( 8.165 1.657 -1.665) 8.496 9.905 ( -10.924 5.485 4.691) 13.093 10.008 ( 3.669 -2.861 -10.112) 11.130 10.088 ( 1.875 4.872 1.962) 5.577 10.293 ( -3.079 -2.552 -6.289) 7.453 10.444 ( 3.918 1.239 7.225) 8.312 10.629 ( -2.105 1.780 0.896) 2.899 10.690 ( 4.719 -1.115 1.899) 5.208 10.845 ( 1.635 0.048 -0.940) 1.887 10.951 ( 1.103 -2.270 -5.148) 5.734 11.065 ( 3.162 -3.718 -1.646) 5.151 11.163 ( 1.929 -3.435 5.764) 6.982 11.581 ( -1.094 1.977 0.036) 2.260 11.859 ( 1.642 -0.651 1.268) 2.174 12.097 ( 0.581 -1.977 -4.979) 5.389 12.157 ( 0.333 -0.583 -3.354) 3.421 12.256 ( -0.384 2.315 5.215) 5.719 12.356 ( -2.818 -1.972 -1.111) 3.614 12.561 ( 1.253 -0.507 1.023) 1.695 12.590 ( -0.339 -0.993 -0.699) 1.261 12.733 ( -1.012 1.224 1.926) 2.497 12.868 ( -3.876 -0.534 -4.567) 6.014 12.999 ( -4.691 5.924 -3.422) 8.295 13.045 ( 3.219 -2.988 5.756) 7.240 13.283 ( -3.122 4.302 4.833) 7.184 13.412 ( -4.531 0.223 -1.843) 4.896 13.448 ( -0.145 -3.401 2.681) 4.332 13.591 ( -3.971 3.030 -3.080) 5.868 14.006 ( -0.270 -1.793 3.641) 4.067 14.332 ( 2.476 1.819 -1.223) 3.307 14.928 ( 5.260 0.085 0.500) 5.284 15.031 ( 2.013 -1.513 -0.331) 2.540 15.082 ( -1.523 0.195 1.697) 2.288 15.406 ( 2.915 -0.532 -7.167) 7.755 15.774 ( -1.979 -0.520 8.700) 8.937 16.171 ( 3.862 -0.575 -5.312) 6.593 ======================= Grid point 212 (93/168) ======================= q-point: ( 0.64 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( 15.995 0.000 -3.410) 16.354 4.463 ( 10.774 0.000 0.197) 10.775 4.605 ( 1.524 0.000 -4.648) 4.892 4.795 ( 4.247 0.000 -1.180) 4.408 5.280 ( -4.696 -0.000 -14.392) 15.139 5.473 ( -2.007 -0.000 0.445) 2.056 5.824 ( -0.247 -0.000 -8.601) 8.605 6.002 ( 9.132 0.000 2.108) 9.372 6.217 ( 5.124 0.000 6.247) 8.080 6.342 ( 12.673 0.000 3.437) 13.131 6.488 ( -7.203 -0.000 1.912) 7.452 6.538 ( -7.493 -0.000 -13.220) 15.196 6.789 ( -3.188 -0.000 8.380) 8.966 7.084 ( 2.668 0.000 26.825) 26.958 7.467 ( -2.076 -0.000 17.126) 17.252 7.607 ( -1.260 -0.000 8.082) 8.180 7.890 ( -4.247 -0.000 -9.087) 10.031 7.903 ( -9.112 -0.000 -12.392) 15.382 8.186 ( -2.558 -0.000 -7.428) 7.856 8.221 ( -11.602 -0.000 -5.483) 12.832 8.573 ( 13.124 0.000 9.396) 16.141 8.765 ( -12.249 -0.000 7.312) 14.266 9.119 ( 2.284 0.000 -7.695) 8.027 9.270 ( 8.383 0.000 -9.835) 12.923 9.332 ( -1.852 -0.000 2.815) 3.370 9.493 ( 14.056 0.000 -8.451) 16.401 10.009 ( 12.199 0.000 -0.633) 12.216 10.120 ( 13.949 0.000 4.372) 14.618 10.247 ( 10.589 0.000 -4.672) 11.574 10.416 ( 5.938 0.000 -3.768) 7.032 10.424 ( 4.864 0.000 3.065) 5.749 10.486 ( 13.329 0.000 3.604) 13.808 10.757 ( -5.312 -0.000 6.604) 8.476 10.846 ( -7.673 -0.000 2.080) 7.950 11.057 ( -8.889 -0.000 -10.822) 14.005 11.096 ( -7.803 -0.000 -1.647) 7.975 11.478 ( -0.931 -0.000 5.401) 5.480 11.866 ( -0.476 -0.000 -0.750) 0.888 12.173 ( -1.713 -0.000 1.717) 2.425 12.186 ( -4.263 -0.000 -0.093) 4.264 12.255 ( 1.146 0.000 -3.172) 3.373 12.324 ( -2.890 -0.000 2.393) 3.752 12.528 ( -0.848 -0.000 4.396) 4.477 12.636 ( -1.665 -0.000 -2.201) 2.759 12.934 ( -5.361 -0.000 -5.418) 7.622 12.981 ( 0.989 0.000 8.801) 8.856 13.097 ( -5.785 -0.000 -0.023) 5.785 13.237 ( -2.035 -0.000 -3.661) 4.189 13.411 ( 1.286 0.000 2.441) 2.759 13.550 ( -5.324 -0.000 -2.628) 5.937 13.643 ( -4.893 -0.000 5.422) 7.304 13.708 ( 3.921 0.000 1.349) 4.147 14.112 ( -4.719 -0.000 -1.657) 5.001 14.157 ( 8.929 0.000 -1.963) 9.142 14.778 ( 2.168 0.000 3.353) 3.993 14.825 ( 2.840 0.000 -0.972) 3.001 15.025 ( 4.937 0.000 -0.462) 4.958 15.165 ( 6.551 0.000 -3.095) 7.245 15.829 ( -2.916 -0.000 6.429) 7.060 15.945 ( 4.942 0.000 -7.216) 8.746 ======================= Grid point 214 (94/168) ======================= q-point: (-0.27 0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.482 ( 18.887 14.295 -4.393) 24.091 4.691 ( 24.416 9.908 -1.956) 26.422 4.801 ( 14.737 -9.845 -6.758) 18.968 5.030 ( 2.844 -7.798 -6.076) 10.286 5.154 ( -0.713 -1.162 -7.403) 7.527 5.416 ( -9.755 -5.630 2.344) 11.504 5.821 ( 7.026 7.858 -4.876) 11.614 6.195 ( 10.030 1.780 7.181) 12.464 6.243 ( -5.438 -3.473 -4.729) 8.000 6.308 ( -7.730 1.132 -5.476) 9.541 6.437 ( -2.708 2.795 -0.021) 3.892 6.572 ( 5.595 -8.697 3.294) 10.853 6.803 ( 4.179 -6.009 -2.712) 7.806 7.179 ( 6.575 -0.148 20.295) 21.334 7.408 ( -1.442 5.038 20.502) 21.161 7.587 ( -1.010 0.732 3.160) 3.398 7.750 ( 4.189 9.973 4.530) 11.727 7.955 ( -2.057 -5.369 -14.324) 15.435 8.050 ( -7.331 -5.445 5.089) 10.454 8.114 ( -3.269 -3.455 -4.197) 6.343 8.459 ( -20.343 3.636 9.072) 22.569 8.714 ( 3.422 4.462 4.104) 6.961 9.055 ( -8.090 1.673 -7.500) 11.157 9.256 ( -7.115 1.779 -8.417) 11.164 9.311 ( 1.384 3.861 -3.545) 5.421 9.754 ( 12.516 -2.384 -7.322) 14.695 10.165 ( 9.721 10.517 1.617) 14.413 10.308 ( -2.721 0.374 -5.178) 5.861 10.358 ( 0.955 -3.630 -0.091) 3.755 10.398 ( -8.121 -1.019 1.401) 8.304 10.510 ( 4.477 -0.558 -0.502) 4.539 10.626 ( 3.218 -2.468 2.925) 5.000 10.755 ( 10.292 -0.212 0.173) 10.296 10.853 ( 3.964 2.436 3.580) 5.871 10.922 ( -3.095 -2.186 -6.586) 7.598 11.015 ( -3.308 -5.734 1.437) 6.774 11.512 ( 2.180 -3.725 3.109) 5.319 11.863 ( 0.575 1.301 -1.045) 1.764 12.113 ( -2.420 1.117 -0.049) 2.666 12.151 ( -0.515 0.911 -2.039) 2.292 12.284 ( 0.649 -2.150 0.535) 2.309 12.297 ( -0.450 -0.858 2.600) 2.774 12.519 ( -0.301 -0.708 3.351) 3.438 12.608 ( -1.206 0.027 -1.775) 2.146 12.823 ( -6.641 -0.153 -5.397) 8.559 12.941 ( -4.657 -0.405 -2.580) 5.339 13.039 ( -0.897 1.894 13.238) 13.403 13.191 ( -1.853 2.270 -6.377) 7.018 13.398 ( -4.804 0.868 2.394) 5.437 13.427 ( -4.479 -2.321 0.520) 5.072 13.540 ( -5.890 1.686 3.794) 7.206 13.731 ( -1.551 0.624 -2.414) 2.937 14.032 ( -3.716 0.921 -0.067) 3.829 14.291 ( 5.939 0.760 -0.745) 6.034 14.838 ( 5.192 1.054 3.160) 6.169 14.906 ( 4.365 -1.993 -0.933) 4.888 15.095 ( 2.291 0.324 0.220) 2.324 15.288 ( 6.466 -1.030 -5.415) 8.497 15.788 ( -1.930 -0.349 8.361) 8.588 16.053 ( 6.409 -0.616 -7.094) 9.580 ======================= Grid point 215 (95/168) ======================= q-point: (-0.18 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.710 ( -4.242 2.067 -4.528) 6.540 4.780 ( 3.240 6.111 -0.718) 6.954 5.090 ( -4.093 0.078 -5.404) 6.780 5.114 ( 4.376 -2.060 -3.921) 6.226 5.230 ( 24.665 2.824 -4.995) 25.324 5.526 ( 19.550 -4.437 -4.134) 20.469 5.963 ( 8.163 1.097 1.748) 8.419 6.007 ( -14.826 1.370 -8.934) 17.364 6.119 ( -7.256 -1.122 -7.698) 10.638 6.333 ( -7.009 -4.109 1.920) 8.348 6.510 ( 14.511 -0.630 3.925) 15.046 6.724 ( -2.870 -17.785 10.133) 20.669 6.990 ( 13.762 2.493 -5.520) 15.036 7.280 ( 2.767 2.227 2.483) 4.333 7.432 ( 12.123 11.581 21.292) 27.101 7.590 ( -0.106 -3.046 0.626) 3.112 7.790 ( -0.147 3.675 9.433) 10.124 7.883 ( -4.382 2.049 -6.911) 8.435 7.950 ( -13.593 1.159 4.326) 14.312 8.044 ( -8.967 -1.505 18.277) 20.413 8.167 ( -1.943 -6.302 -2.222) 6.959 8.620 ( -8.010 5.856 3.976) 10.689 8.842 ( -10.530 1.830 -10.433) 14.935 9.017 ( -16.418 -1.909 -13.307) 21.219 9.353 ( 6.954 3.123 -2.993) 8.190 9.947 ( 3.925 -0.260 -0.005) 3.933 10.032 ( -11.892 5.046 -6.955) 14.672 10.175 ( -3.696 2.518 0.547) 4.505 10.245 ( -3.668 -0.790 -4.224) 5.650 10.454 ( 3.083 0.418 4.026) 5.088 10.624 ( 3.384 -3.381 0.010) 4.783 10.689 ( 1.506 1.082 5.039) 5.370 10.856 ( 1.230 1.121 -0.796) 1.845 10.905 ( 4.443 -1.117 -5.598) 7.234 11.012 ( 7.293 -3.293 -1.184) 8.089 11.079 ( 3.326 -4.352 5.445) 7.723 11.589 ( 2.471 -1.501 0.653) 2.964 11.872 ( 2.579 1.945 1.088) 3.408 12.083 ( -0.233 -0.037 -1.812) 1.828 12.140 ( -0.295 0.249 -4.433) 4.449 12.310 ( 1.249 0.852 0.811) 1.716 12.317 ( 1.383 -0.889 3.056) 3.470 12.538 ( 1.181 -1.450 2.839) 3.400 12.591 ( -0.349 0.597 -1.651) 1.790 12.720 ( -3.692 -1.518 -3.509) 5.315 12.876 ( -2.694 0.171 -3.044) 4.069 13.012 ( 0.285 0.294 10.790) 10.798 13.106 ( -4.530 4.975 -5.831) 8.904 13.315 ( -2.585 -2.816 1.252) 4.022 13.381 ( -5.218 0.388 3.847) 6.495 13.439 ( -1.928 0.912 2.882) 3.585 13.642 ( -5.762 2.116 -5.423) 8.191 13.973 ( -3.264 -1.765 1.936) 4.186 14.352 ( 1.217 0.538 0.088) 1.334 14.934 ( 5.324 0.655 0.891) 5.438 14.994 ( 2.781 -2.326 -0.297) 3.638 15.095 ( -1.360 0.935 1.490) 2.224 15.399 ( 4.868 -0.267 -7.151) 8.655 15.768 ( -0.998 -0.200 8.795) 8.854 16.164 ( 5.091 -0.249 -5.621) 7.588 ======================= Grid point 216 (96/168) ======================= q-point: (-0.09 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( -32.008 -4.860 0.345) 32.376 4.697 ( -27.062 -1.435 -0.348) 27.102 5.153 ( 23.936 0.116 6.899) 24.910 5.249 ( 3.086 -1.365 -9.607) 10.182 5.570 ( -16.342 3.275 -16.834) 23.689 5.689 ( 16.736 5.301 -2.081) 17.678 5.777 ( -9.742 -0.779 -6.527) 11.752 5.980 ( 2.247 1.343 -4.108) 4.871 6.176 ( 6.610 3.936 3.849) 8.603 6.387 ( 10.343 -6.513 -1.367) 12.299 6.658 ( -5.227 -8.281 1.626) 9.926 6.823 ( 4.016 -5.636 9.598) 11.833 7.181 ( 3.784 9.345 -8.579) 13.238 7.229 ( -20.736 -1.073 9.266) 22.737 7.287 ( -12.390 -3.622 5.225) 13.926 7.558 ( 15.142 17.931 18.518) 29.895 7.685 ( 1.231 -0.015 1.976) 2.328 7.799 ( -6.958 2.607 1.973) 7.688 7.947 ( -9.965 0.541 -1.437) 10.083 7.962 ( 0.587 -6.405 -6.072) 8.845 8.172 ( 5.109 -1.608 4.938) 7.285 8.476 ( 0.389 -2.458 7.019) 7.447 8.712 ( -6.649 -5.872 -6.977) 11.286 8.840 ( -2.813 -4.937 -7.302) 9.253 9.456 ( 4.371 3.430 -3.021) 6.324 9.766 ( -4.921 2.386 1.440) 5.656 9.972 ( -6.767 -4.251 -2.621) 8.411 10.153 ( 1.610 5.226 1.407) 5.646 10.213 ( 1.102 -2.900 -7.608) 8.217 10.508 ( 1.081 -1.205 5.904) 6.122 10.591 ( -3.324 2.932 0.522) 4.463 10.746 ( 2.326 -0.747 1.553) 2.895 10.856 ( -0.402 -1.133 -1.078) 1.615 10.997 ( 3.921 -1.391 -3.016) 5.139 11.160 ( 1.900 -6.299 5.179) 8.373 11.171 ( 7.926 3.483 -1.356) 8.763 11.607 ( 0.999 3.646 -2.154) 4.351 11.916 ( 3.469 2.816 3.490) 5.670 12.108 ( 2.752 -0.864 -3.079) 4.219 12.124 ( -1.636 -0.958 -5.920) 6.217 12.310 ( 0.521 1.704 0.576) 1.873 12.351 ( 3.414 3.767 3.490) 6.166 12.580 ( 2.310 -1.235 0.073) 2.620 12.602 ( 1.764 -0.442 0.089) 1.821 12.751 ( 3.344 -5.017 -2.573) 6.556 12.831 ( 0.323 3.529 0.678) 3.608 12.969 ( -3.907 5.534 -3.641) 7.691 13.092 ( 5.218 -4.747 6.943) 9.898 13.256 ( -3.526 2.904 4.636) 6.508 13.330 ( -2.508 -1.442 -4.150) 5.059 13.430 ( -0.200 -4.192 3.642) 5.556 13.536 ( -3.255 0.682 -5.024) 6.025 13.929 ( -4.943 -4.202 3.017) 7.155 14.326 ( -3.604 0.087 0.425) 3.630 14.965 ( -3.290 0.671 0.438) 3.386 15.026 ( -0.933 -1.438 -0.745) 1.870 15.083 ( 2.260 0.639 2.452) 3.395 15.453 ( 1.736 1.561 -8.474) 8.790 15.755 ( -0.410 0.721 8.038) 8.080 16.226 ( 1.897 0.769 -3.840) 4.352 ======================= Grid point 225 (97/168) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( -21.831 -0.000 -7.282) 23.013 4.937 ( 12.425 0.000 1.443) 12.509 4.941 ( 13.572 0.000 -10.195) 16.974 5.144 ( -12.992 -0.000 3.401) 13.430 5.276 ( 25.862 0.000 -7.638) 26.967 5.487 ( 30.236 0.000 -3.385) 30.425 5.934 ( -2.936 -0.000 -0.817) 3.048 6.030 ( -13.905 -0.000 -11.584) 18.097 6.131 ( -1.347 -0.000 -4.450) 4.649 6.389 ( -8.333 -0.000 6.552) 10.600 6.457 ( -0.055 -0.000 8.788) 8.788 6.510 ( 12.566 0.000 2.846) 12.885 7.016 ( 14.829 0.000 -4.497) 15.496 7.305 ( 6.739 0.000 -2.596) 7.222 7.536 ( -2.223 -0.000 -3.361) 4.030 7.554 ( 13.681 0.000 28.978) 32.046 7.860 ( -3.186 -0.000 -10.124) 10.613 7.915 ( 5.721 0.000 -0.070) 5.721 7.947 ( -30.193 -0.000 7.708) 31.162 7.965 ( 0.139 0.000 25.709) 25.709 8.137 ( -2.914 -0.000 2.448) 3.806 8.677 ( -10.135 -0.000 4.639) 11.146 8.863 ( -10.946 -0.000 -8.337) 13.759 8.995 ( -20.799 -0.000 -17.958) 27.479 9.384 ( 5.941 0.000 -3.748) 7.025 9.947 ( 5.259 0.000 -1.634) 5.507 10.115 ( -11.964 -0.000 -8.478) 14.663 10.134 ( -10.663 -0.000 -2.792) 11.023 10.278 ( -3.211 -0.000 1.598) 3.586 10.461 ( 5.340 0.000 3.482) 6.375 10.582 ( 5.768 0.000 0.721) 5.813 10.682 ( 2.028 0.000 3.133) 3.731 10.897 ( -2.611 -0.000 -4.124) 4.881 10.922 ( 1.263 0.000 -0.770) 1.479 10.927 ( 7.886 0.000 1.162) 7.971 11.048 ( 10.787 0.000 2.980) 11.191 11.565 ( 4.690 0.000 1.369) 4.886 11.895 ( 2.337 0.000 -1.210) 2.632 12.083 ( -0.232 -0.000 -0.874) 0.904 12.158 ( -0.228 -0.000 -2.855) 2.864 12.274 ( 0.266 0.000 2.148) 2.165 12.341 ( 4.311 0.000 2.387) 4.928 12.524 ( 0.920 0.000 2.733) 2.883 12.598 ( 0.239 0.000 -1.249) 1.272 12.705 ( -5.127 -0.000 -5.749) 7.703 12.870 ( -1.816 -0.000 -2.330) 2.954 13.028 ( -1.377 -0.000 12.520) 12.596 13.153 ( -4.232 -0.000 -7.282) 8.423 13.272 ( -4.307 -0.000 0.465) 4.332 13.388 ( -2.461 -0.000 5.954) 6.442 13.454 ( -4.020 -0.000 2.506) 4.737 13.660 ( -6.026 -0.000 -6.112) 8.583 13.955 ( -4.762 -0.000 1.269) 4.928 14.355 ( 0.764 0.000 0.610) 0.978 14.948 ( 5.615 0.000 2.449) 6.125 14.964 ( 2.765 0.000 -1.742) 3.268 15.105 ( -1.402 -0.000 1.515) 2.064 15.397 ( 5.799 0.000 -7.190) 9.237 15.766 ( -0.694 -0.000 8.849) 8.876 16.162 ( 5.571 0.000 -5.775) 8.024 ======================= Grid point 226 (98/168) ======================= q-point: (-0.18 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( -34.046 -1.662 -0.142) 34.087 4.695 ( -30.831 0.437 0.419) 30.836 5.168 ( 15.639 1.412 3.173) 16.020 5.214 ( 8.271 -2.058 -6.002) 10.425 5.612 ( -17.852 1.868 -14.163) 22.864 5.676 ( -6.194 -3.580 -14.659) 16.311 5.894 ( 13.586 10.691 -3.576) 17.654 6.064 ( 14.710 4.998 -1.439) 15.602 6.150 ( 8.003 -6.418 3.616) 10.877 6.296 ( 5.654 -4.437 9.014) 11.529 6.544 ( 0.981 -0.107 4.539) 4.645 6.691 ( 3.843 -8.460 -0.329) 9.298 7.193 ( -1.723 -0.698 9.015) 9.204 7.205 ( -38.585 -1.698 11.984) 40.439 7.401 ( 7.486 9.118 -14.612) 18.780 7.626 ( 6.161 -5.392 -6.353) 10.363 7.826 ( 1.057 6.166 -6.959) 9.357 7.875 ( -1.660 2.483 17.231) 17.487 7.878 ( 4.851 3.736 10.787) 12.403 7.958 ( -11.097 0.383 -3.826) 11.745 8.116 ( 6.028 -5.016 14.482) 16.469 8.422 ( -10.175 -2.498 5.671) 11.914 8.645 ( -11.643 -1.759 -8.580) 14.569 8.785 ( 1.697 -1.454 -6.673) 7.037 9.516 ( 7.784 2.493 -5.874) 10.065 9.786 ( -11.593 -0.238 5.888) 13.005 9.928 ( -7.414 -0.584 -5.794) 9.428 10.164 ( 0.299 -1.600 -7.473) 7.648 10.244 ( 4.965 3.419 -1.225) 6.152 10.489 ( -0.134 -0.675 5.750) 5.791 10.653 ( -2.559 3.213 1.566) 4.396 10.720 ( 3.616 -1.754 3.251) 5.169 10.824 ( -2.873 -1.868 -4.813) 5.908 10.973 ( 3.215 -0.462 -0.251) 3.258 11.056 ( 2.993 -4.135 2.672) 5.762 11.225 ( 9.508 1.920 -0.593) 9.718 11.648 ( 3.883 0.921 -0.340) 4.005 11.950 ( 4.226 0.844 0.538) 4.343 12.112 ( 3.639 0.685 -0.566) 3.746 12.135 ( -1.132 1.634 -4.928) 5.314 12.298 ( 1.070 -1.763 3.495) 4.058 12.409 ( 3.415 1.840 -1.309) 4.094 12.553 ( 2.043 -0.762 1.950) 2.925 12.611 ( 2.043 0.301 -2.365) 3.140 12.689 ( 2.947 -1.383 -1.658) 3.653 12.881 ( 2.778 1.135 -0.652) 3.071 13.027 ( 1.375 -1.146 9.044) 9.220 13.047 ( -4.650 2.194 -3.725) 6.349 13.261 ( -0.118 -3.524 -0.561) 3.570 13.306 ( -4.804 1.648 4.348) 6.686 13.409 ( -2.241 0.201 3.345) 4.031 13.540 ( -5.658 0.004 -8.296) 10.042 13.869 ( -5.758 -2.058 2.042) 6.447 14.325 ( -3.918 -0.065 1.655) 4.254 14.977 ( -3.003 0.826 0.512) 3.157 14.999 ( -0.928 -1.386 -0.801) 1.850 15.094 ( 2.498 0.403 2.291) 3.414 15.475 ( 2.861 0.711 -8.533) 9.028 15.764 ( 0.243 0.231 8.216) 8.223 16.236 ( 2.595 0.331 -3.911) 4.705 ======================= Grid point 227 (99/168) ======================= q-point: (-0.09 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( -37.994 -5.527 8.213) 39.262 4.049 ( -40.850 -3.167 2.184) 41.031 5.098 ( -32.506 3.292 -18.847) 37.719 5.226 ( -8.668 -1.174 3.606) 9.462 5.361 ( -4.508 -4.370 -12.337) 13.843 5.546 ( -2.432 -7.474 -5.707) 9.713 5.970 ( 5.092 4.633 5.947) 9.097 6.050 ( -12.862 5.133 16.014) 21.172 6.235 ( -38.110 -8.194 9.078) 40.024 6.370 ( 8.941 8.778 0.113) 12.530 6.555 ( 3.686 0.914 -12.843) 13.392 6.744 ( 5.575 -9.377 -3.307) 11.399 6.834 ( 0.526 -2.636 8.162) 8.593 7.233 ( 1.394 1.794 5.625) 6.067 7.270 ( -19.626 5.170 2.628) 20.465 7.426 ( -25.155 -2.134 -14.950) 29.340 7.520 ( -11.440 -6.229 -6.099) 14.383 7.790 ( 1.935 -10.047 -12.210) 15.930 8.051 ( 14.496 7.851 2.734) 16.711 8.104 ( 19.579 17.909 14.412) 30.196 8.271 ( 11.181 -5.578 -8.777) 15.270 8.575 ( 2.531 0.734 3.909) 4.714 8.650 ( 15.375 -7.887 18.705) 25.465 8.883 ( 6.769 -1.463 -1.738) 7.139 9.493 ( -3.392 5.426 2.061) 6.723 9.725 ( -2.053 -5.456 -2.163) 6.218 9.871 ( 1.386 -0.274 -2.866) 3.195 10.145 ( -0.232 0.896 -3.489) 3.609 10.334 ( 5.501 3.232 -1.961) 6.675 10.455 ( -4.268 1.401 5.583) 7.166 10.575 ( -1.837 0.212 1.244) 2.229 10.726 ( -2.859 -3.206 -1.459) 4.536 10.864 ( 3.349 -0.795 -1.982) 3.972 11.038 ( 2.318 -1.451 1.313) 3.033 11.113 ( -0.668 -5.995 0.379) 6.044 11.369 ( 9.578 4.261 -1.763) 10.630 11.685 ( 3.797 4.505 -1.902) 6.191 12.023 ( 4.793 2.716 4.277) 6.975 12.104 ( -0.582 0.878 -5.891) 5.984 12.187 ( 5.455 1.839 -0.038) 5.757 12.334 ( 1.729 -0.596 2.736) 3.291 12.451 ( 3.755 1.739 -1.412) 4.372 12.633 ( 5.319 -2.119 0.962) 5.805 12.652 ( 2.667 2.230 -0.175) 3.480 12.796 ( 6.350 -0.909 -3.416) 7.268 12.917 ( 3.144 3.228 2.395) 5.103 12.957 ( -1.076 3.414 -4.009) 5.374 13.143 ( 5.581 -6.726 7.147) 11.290 13.216 ( -3.077 1.991 2.894) 4.670 13.285 ( -1.406 -1.970 -1.152) 2.681 13.364 ( -2.256 -3.785 0.560) 4.442 13.490 ( -0.860 -2.749 -7.042) 7.608 13.780 ( -7.059 -3.688 3.161) 8.568 14.231 ( -6.038 -0.125 2.147) 6.409 14.848 ( -8.973 0.353 2.489) 9.318 14.979 ( -3.000 -0.998 -1.408) 3.461 15.139 ( 2.066 1.069 1.151) 2.595 15.474 ( -1.293 1.987 -8.121) 8.460 15.777 ( 1.729 1.056 5.843) 6.184 16.245 ( -0.724 1.170 -2.265) 2.650 ======================= Grid point 237 (100/168) ======================= q-point: (-0.18 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -39.104 -0.000 7.768) 39.868 4.026 ( -42.088 -0.000 0.979) 42.100 5.138 ( -30.030 -0.000 -16.503) 34.266 5.222 ( -12.141 -0.000 10.915) 16.326 5.310 ( -8.576 -0.000 -23.554) 25.066 5.472 ( -0.585 -0.000 -2.292) 2.366 6.018 ( -9.455 -0.000 4.638) 10.531 6.121 ( -42.167 -0.000 10.759) 43.518 6.133 ( -11.092 -0.000 23.542) 26.024 6.458 ( 17.444 0.000 -1.997) 17.558 6.564 ( -1.328 -0.000 -10.666) 10.749 6.632 ( 20.346 0.000 -14.529) 25.001 6.826 ( 3.632 0.000 14.432) 14.883 7.226 ( -0.391 -0.000 14.188) 14.194 7.341 ( -28.591 -0.000 -17.051) 33.289 7.358 ( -34.360 -0.000 8.347) 35.359 7.532 ( -18.982 -0.000 -16.146) 24.920 7.663 ( 14.820 0.000 -22.576) 27.006 8.133 ( 17.289 0.000 -1.556) 17.359 8.194 ( 13.593 0.000 -10.912) 17.431 8.385 ( 24.603 0.000 20.424) 31.976 8.482 ( 12.003 0.000 25.546) 28.225 8.585 ( 5.020 0.000 4.404) 6.678 8.869 ( 6.024 0.000 -1.574) 6.226 9.582 ( -8.752 -0.000 6.007) 10.615 9.632 ( 1.775 0.000 -5.876) 6.138 9.875 ( 1.683 0.000 -3.783) 4.140 10.151 ( 0.722 0.000 -4.552) 4.609 10.387 ( 7.004 0.000 -4.890) 8.542 10.459 ( -3.834 -0.000 7.916) 8.796 10.582 ( -6.096 -0.000 1.914) 6.390 10.681 ( -2.780 -0.000 -1.327) 3.080 10.855 ( 4.528 0.000 -3.333) 5.623 11.023 ( 3.550 0.000 2.602) 4.402 11.054 ( -1.674 -0.000 -1.077) 1.990 11.411 ( 10.202 0.000 -0.978) 10.249 11.731 ( 4.471 0.000 -0.598) 4.511 12.031 ( 4.134 0.000 -1.211) 4.308 12.124 ( -0.384 -0.000 -3.696) 3.716 12.215 ( 6.492 0.000 2.060) 6.811 12.321 ( 1.883 0.000 5.230) 5.559 12.460 ( 2.624 0.000 -5.380) 5.986 12.612 ( 4.839 0.000 1.579) 5.090 12.675 ( 4.320 0.000 -2.658) 5.072 12.796 ( 8.241 0.000 -0.202) 8.244 12.966 ( 3.619 0.000 0.470) 3.649 12.987 ( -2.427 -0.000 -3.516) 4.272 13.067 ( 5.033 0.000 7.946) 9.406 13.236 ( -1.175 -0.000 1.802) 2.151 13.237 ( -3.501 -0.000 2.655) 4.394 13.357 ( -3.994 -0.000 2.744) 4.845 13.458 ( -2.256 -0.000 -11.419) 11.639 13.744 ( -6.757 -0.000 2.813) 7.319 14.230 ( -6.009 -0.000 2.784) 6.622 14.852 ( -9.285 -0.000 2.618) 9.647 14.969 ( -2.489 -0.000 -1.669) 2.997 15.149 ( 2.250 0.000 1.082) 2.497 15.492 ( -1.159 -0.000 -8.082) 8.165 15.787 ( 1.949 0.000 5.957) 6.268 16.255 ( -0.522 -0.000 -2.289) 2.347 ======================= Grid point 238 (101/168) ======================= q-point: (-0.09 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -41.011 -3.732 17.143) 44.606 3.200 ( -49.228 -2.638 4.759) 49.528 4.499 ( -36.524 5.676 -21.742) 42.883 4.777 ( -47.974 -7.855 18.757) 52.106 4.931 ( -30.441 -11.107 -28.412) 43.096 5.094 ( -42.312 -6.502 17.845) 46.379 5.500 ( -10.263 -2.873 -1.582) 10.775 5.843 ( -18.175 -0.209 25.645) 31.433 6.131 ( -7.660 1.328 0.011) 7.774 6.303 ( -8.521 -0.550 -6.137) 10.515 6.584 ( -18.203 -3.393 -5.382) 19.282 6.763 ( -11.991 -2.178 -12.525) 17.476 6.842 ( 1.402 3.520 -8.519) 9.323 6.947 ( 4.992 0.110 -0.812) 5.059 7.002 ( -0.782 7.762 -2.005) 8.055 7.323 ( -1.681 -10.305 -6.800) 12.461 7.425 ( 12.791 -2.105 -0.478) 12.972 7.967 ( 17.428 0.024 -15.048) 23.026 8.382 ( 10.897 5.567 -4.782) 13.138 8.459 ( 12.274 1.598 2.916) 12.717 8.580 ( 11.517 12.226 15.324) 22.736 8.756 ( 16.572 8.210 5.227) 19.219 8.857 ( 10.995 -6.838 13.860) 18.967 9.024 ( 12.089 -4.895 4.059) 13.660 9.472 ( -1.467 1.367 5.448) 5.805 9.651 ( -0.297 -3.546 -1.948) 4.057 9.902 ( -0.106 -0.189 -2.648) 2.657 10.177 ( 1.879 1.881 -4.917) 5.590 10.324 ( -6.756 3.171 4.983) 8.974 10.468 ( -4.903 -4.037 0.074) 6.351 10.517 ( 4.633 1.212 -0.148) 4.791 10.690 ( 1.545 -1.176 1.367) 2.375 10.923 ( 3.051 -0.227 -2.052) 3.684 10.994 ( -5.100 -1.905 -4.915) 7.334 11.134 ( 7.214 -1.710 0.478) 7.429 11.591 ( 10.945 3.646 -1.611) 11.648 11.813 ( 6.379 2.243 -1.487) 6.924 12.090 ( 1.335 -0.954 -4.244) 4.550 12.138 ( 3.209 2.009 2.001) 4.283 12.319 ( 5.578 3.152 6.100) 8.847 12.360 ( 1.999 -1.165 3.350) 4.071 12.532 ( 5.368 -0.335 -5.812) 7.919 12.721 ( 1.945 2.928 -1.913) 4.002 12.728 ( 6.594 -1.883 0.675) 6.891 12.911 ( 0.779 0.629 1.660) 1.939 12.958 ( 0.807 4.674 -0.358) 4.757 13.015 ( 6.112 0.271 -4.398) 7.535 13.182 ( -2.274 0.353 1.299) 2.642 13.189 ( 2.166 -2.357 4.184) 5.268 13.225 ( -2.347 -2.709 2.044) 4.126 13.315 ( 2.512 -4.621 0.699) 5.306 13.451 ( -0.610 -2.645 -11.379) 11.699 13.642 ( -4.475 -1.490 5.631) 7.346 14.131 ( -4.357 -0.012 2.750) 5.152 14.671 ( -10.289 -0.104 3.199) 10.775 14.900 ( -5.075 -0.112 -1.468) 5.284 15.167 ( 0.007 0.732 0.614) 0.955 15.437 ( -3.796 1.085 -6.073) 7.243 15.834 ( 3.276 0.649 2.785) 4.349 16.219 ( -2.809 0.757 -1.132) 3.122 ======================= Grid point 249 (102/168) ======================= q-point: (-0.09 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -39.020 -0.000 30.523) 49.540 2.243 ( -53.949 -0.000 8.750) 54.654 3.467 ( -75.277 -0.000 26.880) 79.932 3.907 ( -33.646 -0.000 -25.166) 42.016 4.154 ( -42.744 -0.000 -27.757) 50.966 4.595 ( -20.785 -0.000 23.912) 31.683 4.953 ( -38.034 -0.000 10.154) 39.366 5.584 ( -38.290 -0.000 -0.528) 38.294 5.604 ( -12.259 -0.000 2.244) 12.462 6.199 ( -2.795 -0.000 -21.006) 21.192 6.496 ( -6.561 -0.000 -23.854) 24.740 6.585 ( 7.674 0.000 2.869) 8.193 6.920 ( 1.271 0.000 2.252) 2.586 7.034 ( 2.855 0.000 3.892) 4.827 7.156 ( 7.253 0.000 -9.533) 11.978 7.289 ( 6.031 0.000 12.695) 14.055 7.719 ( 17.109 0.000 -10.277) 19.958 8.271 ( 14.687 0.000 -13.844) 20.183 8.493 ( 2.195 0.000 -1.478) 2.646 8.696 ( 7.847 0.000 3.507) 8.595 8.766 ( 3.416 0.000 15.533) 15.904 8.970 ( 6.055 0.000 5.262) 8.022 9.142 ( 16.230 0.000 5.693) 17.200 9.242 ( 14.737 0.000 1.373) 14.800 9.497 ( 3.889 0.000 9.211) 9.998 9.649 ( 1.537 0.000 1.427) 2.097 9.856 ( -3.995 -0.000 -1.593) 4.301 10.210 ( -1.008 -0.000 -7.191) 7.262 10.213 ( -6.221 -0.000 3.579) 7.177 10.375 ( 0.432 0.000 1.588) 1.645 10.631 ( 5.930 0.000 2.482) 6.429 10.718 ( 1.153 0.000 3.684) 3.860 10.872 ( -6.648 -0.000 -6.318) 9.171 10.975 ( 2.834 0.000 -0.987) 3.001 11.281 ( 8.626 0.000 -1.672) 8.787 11.801 ( 8.403 0.000 -7.337) 11.156 11.935 ( 5.970 0.000 -2.278) 6.390 12.106 ( 1.312 0.000 -2.200) 2.562 12.202 ( 2.580 0.000 1.637) 3.055 12.384 ( 1.483 0.000 6.736) 6.897 12.420 ( 2.983 0.000 4.898) 5.735 12.644 ( 6.682 0.000 -6.796) 9.530 12.756 ( 0.424 0.000 -3.854) 3.878 12.813 ( 2.719 0.000 0.188) 2.726 12.899 ( -1.450 -0.000 4.142) 4.388 12.953 ( -0.642 -0.000 -0.285) 0.703 13.128 ( -3.812 -0.000 -0.177) 3.816 13.134 ( -3.926 -0.000 -1.411) 4.172 13.149 ( -3.256 -0.000 3.771) 4.982 13.184 ( 6.815 0.000 -6.974) 9.751 13.408 ( -0.788 -0.000 -6.372) 6.421 13.420 ( 7.580 0.000 2.068) 7.857 13.623 ( 2.292 0.000 5.708) 6.151 14.091 ( -0.004 -0.000 1.292) 1.292 14.494 ( -8.627 -0.000 3.423) 9.281 14.792 ( -6.620 -0.000 -1.419) 6.771 15.156 ( -1.408 -0.000 0.611) 1.535 15.365 ( -4.124 -0.000 -4.427) 6.051 15.903 ( 3.806 0.000 0.938) 3.920 16.163 ( -3.526 -0.000 -0.552) 3.569 ======================= Grid point 250 (103/168) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 7.934 0.000 41.080) 41.840 1.691 ( -1.307 -0.000 41.348) 41.369 2.394 ( -7.866 -0.000 -37.038) 37.864 2.506 ( 2.471 0.000 -37.896) 37.977 3.191 ( 3.133 0.000 81.913) 81.973 4.291 ( -0.249 -0.000 -1.929) 1.945 4.438 ( -2.280 -0.000 4.328) 4.892 4.707 ( -3.601 -0.000 -62.357) 62.461 4.897 ( 1.899 0.000 12.120) 12.268 5.138 ( -1.329 -0.000 -12.819) 12.888 6.611 ( -3.418 -0.000 10.602) 11.140 6.763 ( -1.305 -0.000 -3.143) 3.403 6.929 ( 1.600 0.000 -2.894) 3.307 6.929 ( -1.247 -0.000 -0.432) 1.320 7.638 ( 7.145 0.000 9.792) 12.122 7.864 ( 2.994 0.000 -14.056) 14.371 8.084 ( 10.072 0.000 8.320) 13.064 8.277 ( -3.254 -0.000 -13.914) 14.289 8.510 ( 1.046 0.000 9.369) 9.428 8.652 ( -5.642 -0.000 -5.261) 7.715 8.917 ( -4.380 -0.000 9.939) 10.861 9.052 ( -1.379 -0.000 -4.257) 4.474 9.485 ( 3.094 0.000 1.509) 3.443 9.496 ( -8.341 -0.000 0.913) 8.391 9.644 ( 6.635 0.000 0.611) 6.663 9.687 ( -4.665 -0.000 -2.963) 5.526 9.944 ( -0.090 -0.000 9.953) 9.953 10.081 ( 3.232 0.000 -5.448) 6.334 10.236 ( 6.276 0.000 8.828) 10.831 10.433 ( -11.466 -0.000 -11.486) 16.229 10.653 ( 7.246 0.000 0.953) 7.308 10.665 ( -6.589 -0.000 -0.419) 6.603 10.908 ( -0.101 -0.000 7.327) 7.327 11.000 ( -0.179 -0.000 -2.943) 2.948 11.376 ( -1.271 -0.000 2.819) 3.092 11.433 ( 1.069 0.000 -3.034) 3.217 12.090 ( 3.829 0.000 1.635) 4.164 12.129 ( -4.475 -0.000 -2.405) 5.080 12.364 ( -5.822 -0.000 0.033) 5.822 12.378 ( 8.524 0.000 -1.574) 8.668 12.593 ( 1.653 0.000 6.179) 6.396 12.690 ( -2.448 -0.000 -4.051) 4.733 12.818 ( 0.454 0.000 0.908) 1.015 12.819 ( -0.060 -0.000 1.033) 1.035 12.897 ( -5.025 -0.000 1.211) 5.169 12.917 ( 5.045 0.000 -0.707) 5.094 13.017 ( -2.338 -0.000 -0.110) 2.341 13.042 ( 2.425 0.000 -2.229) 3.294 13.105 ( -4.211 -0.000 1.366) 4.427 13.165 ( 5.683 0.000 -4.846) 7.468 13.555 ( -1.859 -0.000 0.749) 2.005 13.557 ( 2.382 0.000 0.488) 2.431 13.884 ( 3.528 0.000 8.919) 9.592 14.037 ( -2.887 -0.000 -7.299) 7.849 14.447 ( 1.892 0.000 5.020) 5.364 14.534 ( -1.959 -0.000 -4.245) 4.675 15.139 ( -0.100 -0.000 2.279) 2.281 15.195 ( -0.350 -0.000 -3.804) 3.820 16.038 ( 2.067 0.000 1.378) 2.484 16.060 ( -1.789 -0.000 -1.021) 2.060 ======================= Grid point 251 (104/168) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 35.829 4.947 34.758) 50.163 2.386 ( 39.280 -30.745 33.477) 60.074 2.548 ( 18.258 -16.253 -33.533) 41.496 2.916 ( 32.207 -13.840 -35.127) 49.626 3.507 ( 24.993 -10.162 72.067) 76.951 4.474 ( 15.565 -3.480 -15.711) 22.388 4.616 ( 16.549 -6.705 -6.182) 18.896 4.843 ( 19.568 -9.303 -28.254) 35.605 5.093 ( 13.699 -3.579 7.074) 15.827 5.287 ( 13.167 -15.615 -9.710) 22.616 6.465 ( -7.558 9.629 9.749) 15.649 6.713 ( -4.733 -4.072 0.501) 6.264 6.865 ( -4.359 3.609 -0.666) 5.698 6.924 ( -1.362 1.166 0.190) 1.803 7.715 ( 1.570 9.107 -4.104) 10.112 7.874 ( 0.672 0.122 -14.200) 14.217 8.027 ( -10.287 11.963 -8.545) 17.943 8.192 ( -4.175 -4.201 -9.051) 10.817 8.516 ( -4.204 7.322 1.136) 8.519 8.608 ( 4.090 -2.192 8.452) 9.642 8.814 ( -5.075 2.431 15.156) 16.167 9.021 ( -0.673 3.395 -1.132) 3.641 9.289 ( -11.349 3.516 6.204) 13.404 9.501 ( 1.584 1.146 3.752) 4.230 9.583 ( -8.658 -2.895 -2.143) 9.377 9.718 ( -3.632 -4.773 3.401) 6.895 9.952 ( 2.587 4.477 2.691) 5.829 10.183 ( 6.714 -1.497 -6.753) 9.640 10.223 ( -7.054 1.616 -5.268) 8.951 10.313 ( 0.282 -1.267 10.747) 10.825 10.540 ( -5.808 -0.267 -2.465) 6.315 10.738 ( 2.075 1.027 2.464) 3.381 10.908 ( -0.455 0.052 5.562) 5.580 10.992 ( -1.397 -0.663 -2.726) 3.134 11.370 ( 0.019 2.670 -1.603) 3.114 11.439 ( -1.439 -1.704 -1.091) 2.483 12.039 ( -5.284 0.214 -2.097) 5.689 12.158 ( 2.586 -1.323 1.891) 3.466 12.267 ( -5.458 -0.129 -2.541) 6.022 12.507 ( 3.794 1.022 -0.505) 3.962 12.546 ( -6.166 0.050 7.289) 9.548 12.643 ( -1.748 0.543 -5.463) 5.762 12.796 ( -2.053 1.475 -0.792) 2.649 12.824 ( 1.416 0.174 0.857) 1.665 12.893 ( 3.215 1.133 0.414) 3.434 12.947 ( -1.245 3.029 2.189) 3.939 13.010 ( 0.413 -0.963 -0.041) 1.049 13.062 ( 0.178 -5.192 -0.938) 5.279 13.101 ( 1.920 -3.769 -1.738) 4.573 13.235 ( 2.670 1.391 -4.970) 5.811 13.484 ( -5.820 0.422 -0.268) 5.842 13.561 ( -2.199 -0.473 0.433) 2.291 13.944 ( -3.139 0.815 -2.686) 4.211 13.958 ( 1.801 -1.044 2.125) 2.975 14.518 ( 4.984 -0.775 6.206) 7.997 14.563 ( 4.058 -1.404 -4.966) 6.565 15.148 ( 1.373 0.854 2.523) 2.996 15.200 ( 1.415 0.881 -3.610) 3.976 16.024 ( -1.486 0.863 -1.978) 2.620 16.064 ( 1.096 0.588 1.953) 2.315 ======================= Grid point 252 (105/168) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 46.482 2.953 26.431) 53.553 3.027 ( 27.273 -13.097 -5.931) 30.830 3.307 ( 29.824 -13.435 16.534) 36.652 3.632 ( 25.630 -16.985 -32.673) 44.865 4.422 ( 51.969 -31.026 40.508) 72.831 4.855 ( 21.780 -1.002 -0.430) 21.807 5.136 ( 31.751 -15.988 -23.336) 42.524 5.389 ( 18.486 -0.656 0.760) 18.513 5.508 ( 33.821 -18.776 -7.100) 39.330 5.853 ( 25.665 -21.833 -1.016) 33.711 6.245 ( -4.694 9.916 3.329) 11.465 6.654 ( -7.466 -6.389 1.692) 9.971 6.700 ( -8.345 6.979 -1.341) 10.961 6.896 ( -1.151 -1.500 5.475) 5.792 7.478 ( -10.903 22.772 -13.119) 28.453 7.691 ( -8.582 6.257 -9.692) 14.378 7.938 ( -0.978 2.456 -8.231) 8.645 8.109 ( -7.167 -3.569 -6.042) 10.030 8.320 ( -8.346 6.990 -3.648) 11.482 8.551 ( -11.529 -0.681 4.646) 12.449 8.812 ( 1.225 3.092 14.563) 14.938 8.913 ( -5.220 8.450 -1.533) 10.050 9.069 ( -5.503 5.487 4.856) 9.164 9.403 ( -10.738 -0.168 3.908) 11.428 9.574 ( 0.230 -1.983 3.577) 4.096 9.607 ( -6.422 -0.949 3.916) 7.581 9.931 ( 0.705 7.135 -4.670) 8.557 10.150 ( -1.214 -0.300 0.106) 1.254 10.253 ( -3.994 -3.026 6.527) 8.228 10.351 ( 4.826 -1.185 -1.333) 5.145 10.526 ( 3.322 -3.453 -3.278) 5.805 10.716 ( -3.292 0.296 5.544) 6.455 10.881 ( -1.603 2.631 -0.899) 3.209 10.960 ( -1.636 -0.877 -2.058) 2.771 11.326 ( -2.575 2.437 -6.194) 7.137 11.386 ( -4.628 0.589 5.097) 6.910 11.928 ( -6.322 1.411 -2.008) 6.782 12.139 ( -8.355 -0.488 -1.478) 8.499 12.196 ( -0.057 -0.457 1.132) 1.222 12.407 ( -6.088 2.128 4.881) 8.088 12.504 ( -3.417 0.121 2.141) 4.034 12.587 ( -2.733 3.630 -3.167) 5.538 12.743 ( -3.055 0.419 -2.492) 3.965 12.859 ( 0.989 4.750 -0.017) 4.852 12.870 ( -0.287 2.812 2.362) 3.684 12.918 ( -2.025 -2.670 -1.034) 3.507 13.032 ( 0.282 0.685 -2.570) 2.674 13.151 ( 4.060 -4.109 1.616) 5.998 13.175 ( 1.936 -4.462 -0.079) 4.865 13.254 ( -0.549 2.419 -1.396) 2.846 13.386 ( -2.644 -4.683 -2.198) 5.809 13.512 ( -4.771 -4.043 0.299) 6.261 13.869 ( -2.009 -0.526 -5.431) 5.815 14.033 ( 2.902 -1.113 4.290) 5.298 14.632 ( 6.136 -0.639 6.476) 8.944 14.679 ( 7.450 -0.920 -4.637) 8.824 15.170 ( 2.099 1.830 2.557) 3.781 15.226 ( 2.475 1.473 -4.197) 5.090 15.998 ( 0.086 1.699 -3.867) 4.225 16.071 ( 0.452 1.187 3.622) 3.838 ======================= Grid point 253 (106/168) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 37.094 -5.071 19.057) 42.010 3.680 ( 37.586 -3.526 16.599) 41.239 3.926 ( 28.822 -10.293 -8.917) 31.878 4.120 ( 18.353 -10.446 -23.180) 31.358 5.166 ( 12.394 5.536 0.261) 13.577 5.647 ( 28.402 -14.945 11.447) 34.074 5.703 ( 34.401 -21.171 17.376) 43.972 5.929 ( 27.790 -4.756 -5.236) 28.676 6.176 ( 13.873 -2.944 -3.367) 14.576 6.216 ( 8.908 -3.123 -9.627) 13.483 6.411 ( 12.283 -14.347 4.800) 19.488 6.513 ( 4.179 -0.024 -9.355) 10.246 6.577 ( 0.014 3.263 -5.768) 6.627 6.938 ( 2.888 -1.196 -0.293) 3.139 7.091 ( -10.613 2.802 6.430) 12.722 7.548 ( -0.306 7.160 -9.879) 12.205 7.759 ( -14.090 3.006 -3.631) 14.857 7.995 ( -3.478 5.422 1.182) 6.549 8.189 ( -9.227 -10.945 -13.105) 19.408 8.302 ( -14.360 -0.128 2.784) 14.628 8.583 ( -12.474 12.076 5.628) 18.251 8.767 ( -5.461 5.571 0.613) 7.825 9.000 ( -3.112 6.959 -3.092) 8.226 9.254 ( -4.877 -1.080 7.638) 9.126 9.439 ( -7.702 1.997 10.635) 13.282 9.612 ( 2.207 2.229 -5.924) 6.704 9.906 ( 2.011 2.916 -3.820) 5.210 10.144 ( -1.907 -0.799 -4.976) 5.389 10.204 ( -2.652 -4.102 14.712) 15.502 10.428 ( 2.450 0.425 -0.877) 2.636 10.598 ( -0.719 0.286 1.149) 1.385 10.723 ( 4.035 -6.204 0.487) 7.417 10.819 ( -1.455 2.541 -3.202) 4.339 10.962 ( 1.418 0.481 -0.812) 1.704 11.210 ( -7.843 0.552 0.130) 7.863 11.303 ( -2.814 2.889 0.885) 4.129 11.778 ( -7.668 2.859 -2.054) 8.437 12.007 ( -6.154 -1.672 2.016) 6.688 12.177 ( -1.829 0.627 -1.520) 2.460 12.260 ( -6.693 5.377 2.046) 8.826 12.438 ( -3.355 0.329 2.462) 4.175 12.515 ( -1.958 1.398 -1.049) 2.624 12.674 ( -3.682 0.752 -0.984) 3.885 12.776 ( -4.017 3.364 -1.488) 5.446 12.837 ( -4.920 -0.713 -0.404) 4.988 12.853 ( -3.057 4.574 -0.339) 5.512 13.030 ( 1.111 1.389 -2.725) 3.254 13.183 ( -2.514 0.122 3.946) 4.680 13.222 ( 0.191 -2.879 -0.175) 2.891 13.290 ( 3.738 -6.187 0.051) 7.228 13.446 ( -3.832 -7.885 -0.636) 8.790 13.488 ( 1.259 -5.169 -1.413) 5.505 13.906 ( 4.608 -2.867 -5.243) 7.546 14.079 ( 2.257 0.934 5.497) 6.015 14.751 ( 6.448 -0.100 4.533) 7.883 14.833 ( 8.116 -1.060 -2.470) 8.549 15.185 ( 1.336 2.689 2.749) 4.071 15.254 ( 2.296 1.753 -5.391) 6.116 15.994 ( 1.550 2.464 -5.643) 6.350 16.060 ( -0.352 1.702 5.396) 5.669 ======================= Grid point 254 (107/168) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 27.946 -6.793 17.840) 33.844 4.375 ( 19.473 -10.588 -8.909) 23.888 4.488 ( 33.476 0.695 1.984) 33.542 4.581 ( 25.838 -6.158 -6.613) 27.373 5.212 ( 3.313 8.144 -4.451) 9.854 5.864 ( -6.468 -3.396 3.340) 8.033 5.947 ( -9.641 14.293 -1.861) 17.340 6.157 ( -0.359 -1.212 1.181) 1.730 6.201 ( -6.238 6.468 -10.890) 14.118 6.446 ( 16.848 -1.792 4.988) 17.662 6.696 ( 4.570 -1.171 7.024) 8.461 6.737 ( 18.612 -4.872 0.431) 19.243 6.929 ( 13.205 -2.263 -9.288) 16.302 7.076 ( -0.351 -11.347 8.969) 14.468 7.113 ( 18.898 -5.659 -3.328) 20.005 7.516 ( -3.786 -2.630 9.682) 10.724 7.627 ( 8.470 -2.183 -8.888) 12.470 7.950 ( -8.348 -7.634 6.121) 12.862 7.973 ( -9.808 -2.458 0.175) 10.113 8.176 ( -9.480 -6.755 -11.016) 16.026 8.275 ( -7.532 11.469 1.950) 13.859 8.644 ( -4.456 0.252 2.511) 5.121 8.829 ( -4.881 7.720 -7.909) 12.082 9.145 ( -9.443 2.384 1.364) 9.834 9.300 ( -2.245 2.657 5.480) 6.491 9.748 ( 11.314 -0.503 -4.574) 12.214 9.925 ( 1.610 -0.620 -3.113) 3.559 10.069 ( -7.137 -4.102 1.966) 8.464 10.222 ( 1.142 1.772 2.082) 2.963 10.468 ( 3.172 -1.403 5.192) 6.244 10.596 ( 0.783 -0.207 0.766) 1.114 10.735 ( -3.560 -1.008 -3.458) 5.064 10.882 ( 3.496 -1.595 1.417) 4.096 10.974 ( -0.274 6.735 3.174) 7.450 11.110 ( -1.157 -6.117 2.229) 6.612 11.219 ( -3.206 4.038 -2.346) 5.665 11.628 ( -5.859 1.826 -2.116) 6.491 11.937 ( -3.554 -0.646 2.441) 4.360 12.092 ( -3.285 6.183 -3.411) 7.788 12.149 ( -2.852 -1.446 -0.254) 3.207 12.374 ( -2.705 1.084 3.330) 4.425 12.477 ( -1.711 2.061 -1.512) 3.076 12.604 ( -2.564 1.691 0.414) 3.099 12.657 ( -5.294 2.502 -2.863) 6.518 12.749 ( -2.526 -0.303 2.578) 3.622 12.789 ( -3.349 -1.146 -2.724) 4.466 13.015 ( -2.060 1.776 -2.559) 3.735 13.134 ( -1.427 -0.403 4.124) 4.383 13.274 ( 1.520 -3.509 3.333) 5.073 13.373 ( -2.731 -6.159 -3.269) 7.488 13.421 ( -1.335 -4.159 1.232) 4.538 13.563 ( 1.093 -2.559 -2.082) 3.476 14.058 ( 7.257 -5.002 -4.980) 10.123 14.119 ( 3.605 2.039 6.747) 7.917 14.863 ( 5.488 -0.015 2.811) 6.166 14.970 ( 5.741 -0.622 -1.013) 5.862 15.169 ( -0.456 2.676 2.922) 3.988 15.276 ( 1.869 1.373 -6.087) 6.514 15.990 ( -0.262 2.687 -0.154) 2.704 16.044 ( 0.881 1.517 0.186) 1.764 ======================= Grid point 255 (108/168) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( 0.079 -2.592 -10.151) 10.477 4.707 ( 23.158 -3.833 7.177) 24.546 4.947 ( 11.636 0.620 3.115) 12.062 5.040 ( 13.883 -2.332 4.248) 14.705 5.290 ( 16.333 4.517 0.751) 16.963 5.593 ( -17.055 1.357 -6.305) 18.233 5.808 ( 7.704 0.944 -2.643) 8.199 5.860 ( -14.890 7.410 -11.930) 20.468 6.189 ( -11.523 2.644 -7.433) 13.965 6.555 ( -2.588 2.121 5.632) 6.551 6.688 ( 6.974 -0.352 5.983) 9.196 6.897 ( -7.017 0.648 -3.173) 7.728 7.088 ( 9.267 -7.064 6.615) 13.399 7.188 ( 6.082 -8.407 3.936) 11.098 7.493 ( 2.423 9.396 5.090) 10.957 7.588 ( 9.085 -8.529 3.908) 13.060 7.749 ( 3.892 3.202 -4.791) 6.954 7.789 ( -13.785 -10.566 4.198) 17.868 7.964 ( 3.275 2.856 2.951) 5.253 8.083 ( -5.210 1.806 3.723) 6.653 8.149 ( -1.355 -5.718 -7.018) 9.153 8.589 ( -2.981 -2.164 6.495) 7.466 8.759 ( 3.437 4.120 -5.313) 7.551 8.948 ( -7.382 4.279 -7.572) 11.408 9.306 ( 3.648 1.835 0.212) 4.088 9.798 ( -5.622 -0.848 -5.163) 7.681 10.009 ( 0.656 -1.377 4.058) 4.335 10.062 ( 6.677 -3.172 1.510) 7.545 10.223 ( 0.697 2.921 -5.515) 6.280 10.557 ( 3.038 -2.948 4.328) 6.054 10.608 ( -0.784 0.978 0.498) 1.349 10.711 ( 2.229 -1.564 2.001) 3.379 10.857 ( -4.154 2.781 1.235) 5.150 10.900 ( -1.526 0.186 -2.478) 2.916 11.116 ( -2.207 3.798 -1.361) 4.599 11.246 ( 5.555 -3.885 4.415) 8.089 11.540 ( -3.091 -0.191 -1.804) 3.584 11.886 ( -2.314 -0.789 1.963) 3.135 12.016 ( -0.113 4.488 -6.762) 8.116 12.127 ( -1.157 -1.587 -0.092) 1.966 12.341 ( -0.438 0.081 3.904) 3.929 12.401 ( -2.784 4.145 -0.593) 5.028 12.536 ( -2.632 -0.100 -0.455) 2.673 12.600 ( -0.701 -0.336 -2.181) 2.315 12.746 ( -2.678 -3.099 -2.300) 4.698 12.764 ( 2.790 -0.163 3.842) 4.751 12.937 ( -3.702 1.688 -2.295) 4.671 13.157 ( 2.817 -0.317 4.178) 5.049 13.311 ( -5.799 -4.018 -2.292) 7.417 13.325 ( 1.086 -0.005 2.252) 2.500 13.467 ( 1.140 -2.667 0.480) 2.940 13.568 ( -0.405 1.619 -1.727) 2.402 14.154 ( 1.737 2.631 6.591) 7.307 14.215 ( 4.026 -4.588 -4.704) 7.706 14.941 ( 2.769 0.019 0.834) 2.892 15.038 ( 1.454 0.134 -0.308) 1.492 15.139 ( -0.358 1.225 3.246) 3.488 15.291 ( 0.627 0.364 -5.798) 5.843 15.940 ( -2.879 1.077 6.931) 7.582 16.069 ( 2.633 0.765 -6.225) 6.802 ======================= Grid point 256 (109/168) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.425 ( -13.916 7.198 6.187) 16.845 4.758 ( -15.037 5.269 -0.097) 15.934 5.067 ( -5.630 -1.057 -7.569) 9.493 5.150 ( -2.945 0.465 -12.019) 12.383 5.403 ( 0.983 0.104 3.830) 3.955 5.570 ( -5.602 2.459 -14.010) 15.288 5.662 ( 14.635 -4.298 6.194) 16.463 5.852 ( -5.097 -4.888 -4.858) 8.571 6.116 ( 9.573 -3.200 0.585) 10.111 6.550 ( 3.596 0.927 7.180) 8.084 6.759 ( -0.738 -5.896 7.795) 9.802 6.821 ( -6.237 -0.463 -8.447) 10.511 7.186 ( -11.994 3.797 6.029) 13.951 7.199 ( -2.654 -4.888 -4.749) 7.314 7.458 ( -0.742 -2.741 9.596) 10.007 7.555 ( -7.232 -0.160 5.284) 8.959 7.715 ( -1.365 5.211 -1.305) 5.543 7.854 ( 6.166 -2.868 0.465) 6.816 7.957 ( -2.882 0.181 5.863) 6.536 8.074 ( 1.723 3.192 3.218) 4.849 8.118 ( 1.819 3.211 -6.142) 7.165 8.609 ( 1.488 -1.887 5.593) 6.087 8.772 ( -4.644 7.307 -7.150) 11.229 8.846 ( 8.912 3.412 1.656) 9.686 9.354 ( 1.735 -0.485 -4.640) 4.978 9.729 ( -1.443 -1.638 1.701) 2.767 10.061 ( -1.133 4.366 0.181) 4.515 10.106 ( 1.371 -1.948 0.331) 2.405 10.157 ( -2.951 2.198 -2.937) 4.708 10.569 ( -1.632 0.816 0.456) 1.881 10.613 ( 0.922 0.335 2.024) 2.249 10.759 ( -1.982 0.605 -1.379) 2.490 10.855 ( 2.726 -1.319 1.351) 3.316 10.904 ( 5.197 -3.782 -3.791) 7.462 11.102 ( 1.465 -2.781 -0.035) 3.143 11.301 ( -1.622 2.482 -0.194) 2.971 11.519 ( 0.866 -0.738 -0.196) 1.154 11.890 ( 0.361 -5.334 2.542) 5.920 12.002 ( 2.421 3.371 -6.885) 8.039 12.127 ( 0.679 0.930 -0.105) 1.156 12.334 ( 0.080 -0.872 4.159) 4.250 12.377 ( 1.268 -1.889 2.790) 3.600 12.543 ( 2.172 -1.420 -1.060) 2.804 12.600 ( 0.536 -0.303 -2.464) 2.540 12.737 ( 0.460 -0.019 -1.558) 1.624 12.819 ( 0.328 -0.187 -0.776) 0.863 12.895 ( 2.241 0.103 1.225) 2.556 13.216 ( -0.115 -1.656 2.003) 2.601 13.248 ( 0.880 1.548 -1.333) 2.224 13.339 ( 1.403 2.828 2.581) 4.077 13.483 ( -1.200 0.473 -1.303) 1.834 13.546 ( 1.000 2.870 0.363) 3.061 14.107 ( -3.666 4.885 6.244) 8.734 14.264 ( -1.880 -2.496 -4.514) 5.490 14.953 ( -2.017 -0.506 -0.351) 2.109 15.035 ( -1.334 0.299 -0.020) 1.367 15.141 ( 0.749 -0.269 3.684) 3.769 15.287 ( -1.077 -1.057 -5.989) 6.176 15.889 ( -2.679 -1.176 8.260) 8.763 16.111 ( 2.063 -0.730 -6.720) 7.068 ======================= Grid point 257 (110/168) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -24.121 13.141 19.710) 33.808 4.262 ( -29.488 10.353 5.959) 31.815 4.690 ( -34.205 -0.793 -18.697) 38.990 4.919 ( -18.310 2.403 -27.477) 33.106 5.241 ( -3.199 -2.941 -7.850) 8.972 5.806 ( 11.260 8.485 10.547) 17.608 5.915 ( 9.203 -11.582 1.836) 14.907 6.074 ( 12.430 -10.646 0.524) 16.374 6.181 ( -1.293 -5.247 0.288) 5.412 6.493 ( -12.023 4.303 0.305) 12.773 6.587 ( -22.516 3.316 18.157) 29.115 6.799 ( -17.234 -4.612 -5.359) 18.627 6.901 ( -1.315 -3.369 -10.764) 11.355 7.028 ( -19.895 7.883 3.271) 21.649 7.274 ( 2.063 12.742 -4.553) 13.687 7.472 ( -10.976 2.013 5.802) 12.577 7.681 ( 0.008 6.667 -9.755) 11.816 7.898 ( 0.421 3.857 10.533) 11.225 7.968 ( 4.089 5.189 0.339) 6.615 8.105 ( 13.562 -7.157 7.116) 16.905 8.237 ( 8.518 -2.213 -0.521) 8.816 8.600 ( -1.417 -1.377 2.220) 2.972 8.804 ( 10.048 -1.635 -3.049) 10.627 9.029 ( 11.606 -0.040 11.798) 16.550 9.399 ( 1.978 -3.731 -3.451) 5.454 9.717 ( -3.907 0.337 -2.170) 4.482 9.912 ( -1.662 5.142 -0.062) 5.404 10.094 ( -1.605 1.169 -2.076) 2.873 10.266 ( 9.291 -2.060 -1.642) 9.657 10.493 ( -5.790 0.670 1.784) 6.096 10.608 ( 0.360 1.076 0.365) 1.192 10.729 ( -1.309 0.469 -1.759) 2.243 10.885 ( 1.085 0.525 0.941) 1.529 11.028 ( -0.573 -3.977 -2.185) 4.574 11.185 ( -2.617 6.176 -4.154) 7.890 11.216 ( 6.460 -5.432 -3.227) 9.036 11.594 ( 5.828 -2.060 1.272) 6.311 11.988 ( 3.290 -4.764 -0.576) 5.818 12.028 ( 2.476 -1.808 0.187) 3.071 12.158 ( 4.378 0.899 -0.722) 4.527 12.378 ( 2.677 -1.274 2.670) 3.989 12.443 ( 2.753 -3.110 2.879) 5.053 12.606 ( 2.408 -1.070 -0.805) 2.756 12.644 ( 3.811 -2.483 -0.908) 4.638 12.761 ( 3.272 1.533 -0.881) 3.719 12.822 ( 0.870 -2.049 -3.931) 4.517 12.964 ( 3.031 0.300 2.947) 4.238 13.204 ( 0.452 -0.934 -2.967) 3.143 13.262 ( -1.513 1.396 3.638) 4.180 13.349 ( 4.027 6.757 0.524) 7.883 13.435 ( -0.094 4.332 -0.806) 4.407 13.535 ( 0.556 4.859 0.468) 4.913 13.957 ( -7.075 5.512 5.865) 10.716 14.212 ( -4.733 -1.501 -3.169) 5.890 14.879 ( -6.426 -0.546 1.277) 6.575 14.974 ( -4.598 1.266 -1.281) 4.938 15.164 ( 0.417 -1.473 3.877) 4.169 15.278 ( -1.474 -2.827 -7.049) 7.736 15.872 ( -1.206 -2.410 7.438) 7.911 16.144 ( 0.352 -1.774 -5.550) 5.837 ======================= Grid point 258 (111/168) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -33.606 12.895 25.629) 44.187 3.589 ( -30.470 14.979 19.341) 39.076 3.985 ( -41.137 -1.404 -23.911) 47.602 4.539 ( -18.814 8.476 -37.582) 42.874 5.141 ( -14.293 0.121 3.949) 14.829 5.587 ( -34.203 13.243 15.063) 39.650 5.756 ( -26.654 16.315 10.111) 32.846 6.064 ( -13.867 -0.027 6.968) 15.520 6.095 ( -14.765 1.625 -5.822) 15.955 6.221 ( -25.605 10.379 -24.835) 37.150 6.414 ( -2.387 -0.244 8.565) 8.895 6.465 ( 2.215 -7.298 -7.596) 10.764 6.647 ( -5.678 7.224 -10.394) 13.873 6.865 ( 1.228 -3.360 2.038) 4.117 7.253 ( -2.367 -4.155 18.731) 19.331 7.312 ( 3.377 10.428 -11.789) 16.098 7.712 ( 6.776 1.998 5.262) 8.809 7.899 ( 7.387 9.354 7.858) 14.277 8.106 ( 9.262 -10.137 -6.286) 15.101 8.407 ( 13.003 0.064 -5.337) 14.056 8.587 ( 16.655 -19.104 11.528) 27.843 8.646 ( 1.823 -8.156 5.611) 10.066 9.003 ( 7.427 -1.631 -2.983) 8.168 9.242 ( 10.969 1.362 9.782) 14.761 9.482 ( 2.493 -5.327 3.502) 6.845 9.637 ( -0.109 0.034 -7.048) 7.049 9.895 ( 0.248 3.685 -1.946) 4.174 10.086 ( 0.773 -0.990 0.208) 1.273 10.370 ( -4.919 0.835 2.516) 5.588 10.444 ( 6.273 -0.453 -5.735) 8.511 10.582 ( -2.758 2.351 2.096) 4.186 10.717 ( 1.803 0.848 1.317) 2.389 10.872 ( -2.341 1.388 -7.758) 8.222 10.952 ( -2.547 0.923 -0.494) 2.753 11.183 ( 3.789 1.349 1.108) 4.171 11.398 ( 7.161 -5.694 -6.636) 11.302 11.751 ( 8.464 -2.452 0.651) 8.836 12.037 ( 2.638 0.339 -1.711) 3.162 12.139 ( 3.256 -4.460 2.814) 6.198 12.282 ( 7.358 -4.172 -0.089) 8.459 12.437 ( 3.337 0.768 2.511) 4.246 12.508 ( 2.741 -0.662 0.026) 2.819 12.658 ( 2.425 -1.086 -0.331) 2.677 12.753 ( 4.146 -4.236 1.285) 6.065 12.847 ( 5.081 -2.618 -1.478) 5.904 12.885 ( 3.209 -2.695 -2.996) 5.151 12.978 ( -0.344 1.177 2.196) 2.515 13.194 ( -2.896 1.885 2.139) 4.063 13.247 ( 2.480 0.118 -2.175) 3.300 13.300 ( -2.530 4.882 -0.816) 5.558 13.437 ( 2.111 7.297 -0.004) 7.596 13.470 ( 1.318 8.334 -0.029) 8.437 13.801 ( -4.430 3.577 6.075) 8.326 14.141 ( -3.885 -0.815 -1.302) 4.177 14.741 ( -8.660 0.059 3.733) 9.430 14.861 ( -6.212 0.860 -3.390) 7.129 15.176 ( -0.903 -1.777 3.036) 3.632 15.271 ( -2.113 -2.889 -6.663) 7.564 15.889 ( 0.524 -2.265 5.397) 5.876 16.149 ( -1.485 -1.828 -3.885) 4.543 ======================= Grid point 259 (112/168) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -37.973 11.390 26.636) 47.762 2.943 ( -25.910 19.291 35.348) 47.885 3.263 ( -37.882 -2.002 -29.744) 48.205 3.948 ( -32.739 24.017 -32.311) 51.891 4.370 ( -53.675 22.611 36.684) 68.833 4.889 ( -23.334 0.355 7.353) 24.468 5.290 ( -24.466 18.544 -10.341) 32.394 5.375 ( -20.963 15.452 -33.900) 42.749 5.500 ( -34.323 3.582 -2.099) 34.573 5.886 ( -26.678 20.314 -2.810) 33.649 6.307 ( 8.322 -13.525 -1.361) 15.938 6.654 ( 4.555 2.622 1.798) 5.555 6.712 ( 5.790 -9.794 -4.453) 12.218 6.981 ( 2.309 0.180 -1.980) 3.047 7.323 ( 6.258 -7.476 7.421) 12.253 7.466 ( 15.783 -0.462 7.259) 17.378 7.760 ( 2.140 3.348 12.240) 12.869 8.056 ( 10.637 -1.108 -4.168) 11.478 8.352 ( 5.405 -11.523 -4.292) 13.432 8.621 ( 8.377 -3.592 -2.097) 9.353 8.791 ( 2.476 -13.472 8.491) 16.115 9.005 ( 8.522 -7.021 -2.199) 11.258 9.100 ( 7.367 -5.648 0.631) 9.305 9.383 ( 9.264 6.108 4.031) 11.806 9.603 ( 4.565 -1.250 1.078) 4.855 9.704 ( 5.701 1.217 -2.581) 6.375 9.846 ( -2.113 -2.544 1.370) 3.580 10.099 ( -0.993 0.519 0.732) 1.339 10.273 ( -5.282 -0.103 2.421) 5.812 10.456 ( -1.835 3.512 2.464) 4.666 10.550 ( 1.545 0.316 -12.057) 12.160 10.755 ( 1.344 -0.674 1.733) 2.295 10.848 ( 2.268 1.176 1.458) 2.942 10.959 ( 2.564 0.821 -2.046) 3.381 11.266 ( 5.504 -0.666 0.808) 5.603 11.535 ( 1.976 -4.046 -10.627) 11.542 11.910 ( 6.970 -0.461 -0.217) 6.988 12.107 ( 5.028 -0.921 1.528) 5.335 12.203 ( 0.874 -1.395 0.428) 1.701 12.454 ( 5.068 -5.751 2.533) 8.073 12.485 ( 3.071 1.486 3.197) 4.676 12.566 ( 3.591 0.301 -2.206) 4.225 12.713 ( 2.624 -1.090 0.517) 2.888 12.853 ( 1.134 -5.992 -0.050) 6.099 12.894 ( -1.131 3.561 0.978) 3.862 12.951 ( 1.659 -2.392 -1.407) 3.233 12.982 ( 1.735 -0.896 -1.086) 2.234 13.158 ( -2.256 1.723 1.100) 3.044 13.174 ( -3.676 3.184 -0.491) 4.888 13.286 ( -3.425 3.128 -4.509) 6.469 13.345 ( 4.946 5.018 1.952) 7.311 13.502 ( 4.594 3.745 1.264) 6.061 13.761 ( 2.116 2.166 6.182) 6.884 14.086 ( -2.542 -0.182 -1.410) 2.913 14.584 ( -7.741 0.959 5.038) 9.286 14.740 ( -6.391 0.378 -4.521) 7.838 15.166 ( -1.667 -1.504 2.223) 3.159 15.246 ( -2.600 -1.879 -5.549) 6.410 15.932 ( 2.078 -1.554 3.194) 4.115 16.125 ( -2.374 -1.275 -2.225) 3.495 ======================= Grid point 260 (113/168) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -26.058 13.177 34.273) 45.025 2.228 ( -35.221 21.362 35.945) 54.671 2.691 ( -24.619 -2.310 -34.276) 42.264 3.004 ( -35.264 28.133 -31.660) 55.112 3.421 ( -29.290 10.633 66.579) 73.510 4.500 ( -18.774 0.584 0.508) 18.790 4.713 ( -20.312 14.413 5.695) 25.549 4.908 ( -15.258 3.208 -59.134) 61.155 5.054 ( -14.533 5.737 2.733) 15.861 5.329 ( -14.394 13.028 -8.754) 21.297 6.572 ( 5.761 -8.655 4.498) 11.328 6.703 ( 2.034 -4.388 -2.202) 5.315 6.861 ( 3.757 -4.220 -2.085) 6.022 6.964 ( -0.522 3.608 -3.187) 4.842 7.504 ( 7.559 -1.002 13.376) 15.396 7.765 ( 9.772 1.230 6.991) 12.078 7.831 ( 10.339 -5.347 3.655) 12.200 8.227 ( 4.945 -4.598 -8.795) 11.088 8.484 ( 1.133 -5.199 1.745) 5.600 8.716 ( -1.945 -3.811 -2.441) 4.926 8.934 ( 0.600 -8.443 5.527) 10.109 9.053 ( 0.451 -0.067 -5.782) 5.800 9.357 ( 8.382 -5.241 -1.443) 9.990 9.497 ( 8.663 4.808 1.813) 10.073 9.601 ( -2.341 -0.065 -2.279) 3.267 9.756 ( 1.165 3.665 -0.883) 3.945 9.915 ( 3.114 -2.893 10.671) 11.486 10.063 ( -0.798 0.376 -1.572) 1.802 10.178 ( -2.139 1.319 1.229) 2.798 10.481 ( 4.592 -1.323 -0.160) 4.781 10.567 ( 0.185 -1.487 -10.209) 10.318 10.751 ( -2.762 -0.572 0.476) 2.861 10.897 ( 2.370 0.724 7.744) 8.131 10.995 ( 1.725 0.968 -3.124) 3.697 11.373 ( 4.199 -1.531 -1.274) 4.647 11.491 ( -6.983 1.500 -7.781) 10.562 12.015 ( 4.961 0.509 0.369) 5.001 12.195 ( -2.356 -0.252 -1.743) 2.942 12.231 ( 7.317 -0.595 1.257) 7.448 12.474 ( -5.363 -0.675 3.009) 6.186 12.535 ( 3.282 -0.138 5.745) 6.618 12.672 ( 6.264 -0.013 -5.652) 8.437 12.770 ( 2.870 -1.208 1.347) 3.392 12.830 ( -1.657 0.569 0.631) 1.863 12.890 ( -2.777 -2.834 0.680) 4.025 12.982 ( 2.947 2.239 1.484) 3.988 13.005 ( -4.235 -2.657 -1.970) 5.374 13.063 ( 0.952 4.011 -1.526) 4.396 13.117 ( -1.893 2.420 -3.319) 4.523 13.175 ( -3.167 2.093 1.620) 4.128 13.472 ( 6.806 -0.431 0.743) 6.860 13.552 ( 2.113 0.134 1.352) 2.512 13.811 ( 4.162 0.882 7.547) 8.663 14.059 ( -0.890 -0.855 -4.637) 4.798 14.466 ( -3.701 1.221 5.189) 6.490 14.620 ( -5.866 0.939 -4.476) 7.438 15.149 ( -1.334 -0.844 2.011) 2.556 15.214 ( -1.920 -0.884 -4.528) 4.997 15.989 ( 2.738 -0.790 1.776) 3.358 16.091 ( -2.070 -0.640 -1.019) 2.394 ======================= Grid point 262 (114/168) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 31.324 0.000 7.399) 32.186 2.894 ( 46.460 0.000 25.680) 53.085 3.117 ( 44.288 0.000 -0.089) 44.288 3.452 ( 31.061 0.000 -38.710) 49.631 4.133 ( 49.128 0.000 53.385) 72.551 4.887 ( 31.149 0.000 -25.825) 40.463 4.966 ( 22.729 0.000 8.934) 24.422 5.291 ( 31.057 0.000 -22.569) 38.392 5.503 ( 25.577 0.000 0.484) 25.581 5.558 ( 31.936 0.000 3.123) 32.088 6.374 ( -8.166 -0.000 8.611) 11.868 6.559 ( -6.649 -0.000 -0.259) 6.654 6.775 ( -7.032 -0.000 -0.188) 7.034 6.870 ( -4.803 -0.000 4.300) 6.446 7.747 ( -15.600 -0.000 -15.268) 21.829 7.827 ( -3.504 -0.000 -21.710) 21.991 7.875 ( -1.725 -0.000 -10.488) 10.629 7.991 ( -12.156 -0.000 -1.837) 12.294 8.451 ( -8.549 -0.000 -1.082) 8.617 8.514 ( -12.388 -0.000 9.731) 15.753 8.842 ( 3.448 0.000 17.866) 18.196 9.006 ( -7.664 -0.000 0.162) 7.666 9.121 ( -4.039 -0.000 7.177) 8.236 9.395 ( -10.692 -0.000 -1.124) 10.751 9.530 ( 2.627 0.000 2.067) 3.342 9.603 ( -7.135 -0.000 6.976) 9.979 10.042 ( 3.500 0.000 1.951) 4.008 10.103 ( -4.495 -0.000 -11.867) 12.690 10.243 ( -5.883 -0.000 15.567) 16.641 10.327 ( 7.673 0.000 -4.768) 9.034 10.487 ( 0.870 0.000 -3.434) 3.543 10.721 ( -3.368 -0.000 5.511) 6.458 10.914 ( 0.275 0.000 0.998) 1.036 10.940 ( -3.992 -0.000 -5.250) 6.596 11.349 ( -3.455 -0.000 -7.186) 7.974 11.393 ( -3.273 -0.000 6.767) 7.517 11.944 ( -5.270 -0.000 -2.785) 5.960 12.129 ( -9.038 -0.000 -1.022) 9.095 12.191 ( 0.269 0.000 2.645) 2.659 12.427 ( -4.739 -0.000 5.004) 6.891 12.501 ( -4.728 -0.000 0.855) 4.805 12.625 ( -1.896 -0.000 -3.827) 4.271 12.748 ( -4.114 -0.000 -1.983) 4.567 12.877 ( 2.312 0.000 -0.321) 2.335 12.891 ( -4.540 -0.000 3.247) 5.582 12.931 ( -0.233 -0.000 -3.140) 3.149 13.029 ( 3.456 0.000 -1.953) 3.969 13.098 ( 3.830 0.000 1.937) 4.292 13.142 ( 4.014 0.000 0.978) 4.132 13.279 ( 2.674 0.000 -3.427) 4.347 13.352 ( -8.400 -0.000 -1.392) 8.514 13.468 ( -6.778 -0.000 0.534) 6.799 13.864 ( -2.617 -0.000 -6.421) 6.934 14.023 ( 3.658 0.000 5.361) 6.490 14.626 ( 6.652 0.000 6.998) 9.655 14.671 ( 7.718 0.000 -5.036) 9.216 15.187 ( 2.187 0.000 2.576) 3.379 15.239 ( 2.357 0.000 -4.228) 4.841 16.013 ( 0.100 0.000 -3.939) 3.940 16.081 ( 0.494 0.000 3.730) 3.762 ======================= Grid point 263 (115/168) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 32.036 -2.279 14.524) 35.249 3.686 ( 39.508 0.701 11.932) 41.276 3.837 ( 35.590 0.340 -5.621) 36.033 3.983 ( 27.197 -4.859 -22.121) 35.392 5.263 ( 56.617 -11.334 28.613) 64.441 5.294 ( 22.578 5.490 1.903) 23.313 5.481 ( 17.184 -11.696 -1.209) 20.821 5.885 ( 37.585 -0.490 -17.654) 41.527 6.064 ( 23.823 -3.051 -4.581) 24.451 6.157 ( 19.606 -8.573 9.943) 23.595 6.264 ( 3.974 0.646 -3.580) 5.388 6.576 ( 10.709 -1.412 -3.224) 11.272 6.612 ( -5.488 7.567 1.825) 9.524 6.814 ( -2.346 -8.370 11.644) 14.531 7.294 ( -21.449 12.448 -18.687) 31.052 7.636 ( -14.060 -1.027 -10.015) 17.293 7.782 ( -8.435 4.076 -8.203) 12.452 7.943 ( -2.960 -9.986 -8.818) 13.647 8.166 ( -15.331 6.826 1.827) 16.881 8.274 ( -16.492 -3.498 4.856) 17.544 8.771 ( -9.555 7.691 5.985) 13.648 8.838 ( -7.349 1.019 7.383) 10.467 9.096 ( -1.161 4.283 -0.541) 4.470 9.225 ( -6.827 -2.153 3.506) 7.971 9.462 ( -7.668 0.699 10.225) 12.800 9.611 ( 4.587 -1.334 -4.034) 6.252 9.995 ( -1.161 5.596 -8.937) 10.608 10.095 ( -3.808 -3.568 -1.398) 5.402 10.170 ( -0.288 -0.356 14.380) 14.388 10.444 ( 4.753 0.941 -2.049) 5.260 10.568 ( 4.882 -3.802 -2.137) 6.547 10.649 ( -3.801 -0.633 3.631) 5.295 10.855 ( -2.709 1.676 -3.927) 5.057 10.927 ( -0.401 -2.916 -1.528) 3.317 11.257 ( -5.194 3.370 -3.171) 6.957 11.321 ( -4.257 -0.665 5.031) 6.624 11.837 ( -5.651 2.963 -3.015) 7.057 11.955 ( -9.230 -3.063 2.642) 10.078 12.184 ( -1.258 0.520 0.937) 1.653 12.347 ( -5.129 4.144 1.741) 6.820 12.414 ( -3.484 -3.103 1.692) 4.963 12.564 ( -2.859 3.108 -3.172) 5.281 12.662 ( -5.111 -1.355 -1.007) 5.383 12.797 ( -5.552 0.695 1.763) 5.866 12.824 ( -5.144 -0.665 -2.160) 5.618 12.955 ( 0.019 3.706 0.907) 3.815 13.062 ( 0.912 1.582 -3.386) 3.847 13.182 ( -4.348 -0.323 2.192) 4.880 13.186 ( 3.458 -2.467 1.399) 4.472 13.222 ( 1.419 1.113 0.438) 1.856 13.321 ( -4.002 -5.902 0.920) 7.190 13.415 ( 3.123 -2.510 -3.873) 5.573 13.870 ( 3.048 -1.114 -6.011) 6.831 14.091 ( 3.760 0.389 5.894) 7.002 14.750 ( 6.636 0.025 5.733) 8.769 14.818 ( 8.067 -0.477 -3.699) 8.887 15.219 ( 1.420 1.033 2.942) 3.426 15.275 ( 1.927 0.606 -5.409) 5.774 16.024 ( 1.555 0.871 -6.049) 6.306 16.081 ( -0.487 0.630 5.798) 5.852 ======================= Grid point 264 (116/168) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( 31.037 -3.468 15.284) 34.770 4.222 ( 19.291 -6.153 -17.185) 26.557 4.514 ( 33.298 -1.722 -3.969) 33.578 4.542 ( 35.281 3.789 7.310) 36.229 5.366 ( 1.371 9.010 -5.556) 10.674 5.733 ( -1.354 -9.248 -1.963) 9.550 6.105 ( -5.304 1.384 2.313) 5.949 6.209 ( 1.072 8.176 3.738) 9.053 6.311 ( 5.675 3.471 -6.408) 9.237 6.380 ( 27.972 -5.828 12.041) 31.006 6.613 ( 3.774 -0.109 -0.037) 3.776 6.659 ( 6.815 -5.387 7.666) 11.586 6.824 ( 27.055 -10.920 -16.754) 33.644 6.943 ( 6.040 -4.228 7.572) 10.568 7.069 ( 4.366 4.039 -0.965) 6.025 7.472 ( -4.231 -8.509 -8.918) 13.032 7.610 ( -0.650 4.149 5.698) 7.079 7.824 ( -14.359 -6.190 8.443) 17.770 7.935 ( -5.916 -0.573 -9.097) 10.867 8.089 ( -5.729 -3.223 -9.354) 11.433 8.500 ( -11.468 11.156 7.543) 17.688 8.654 ( -9.228 0.491 4.484) 10.272 8.961 ( -4.965 7.245 -8.263) 12.059 9.166 ( -6.066 -1.122 2.557) 6.678 9.343 ( -2.841 1.928 5.634) 6.598 9.737 ( 9.426 -0.659 -4.099) 10.300 9.944 ( -1.171 2.410 -10.736) 11.065 10.012 ( -5.691 -2.264 4.943) 7.870 10.231 ( 4.030 -0.574 4.432) 6.018 10.480 ( 1.868 2.355 3.410) 4.545 10.586 ( -1.448 -0.639 1.066) 1.908 10.684 ( -0.253 -4.290 -2.053) 4.762 10.852 ( 2.630 -0.821 1.470) 3.123 10.974 ( 1.971 -6.414 -0.468) 6.726 11.111 ( -5.431 6.501 2.591) 8.858 11.254 ( -4.192 -0.292 -1.264) 4.388 11.691 ( -5.584 4.707 -2.098) 7.598 11.875 ( -4.715 -5.280 2.712) 7.580 12.143 ( -2.286 0.841 -0.954) 2.616 12.200 ( -5.141 4.553 0.015) 6.868 12.392 ( -1.855 0.302 1.250) 2.258 12.496 ( -1.528 1.490 -1.747) 2.758 12.600 ( -3.688 -2.182 -0.307) 4.296 12.669 ( -6.379 1.177 -2.227) 6.858 12.762 ( -3.088 -1.838 0.400) 3.616 12.836 ( -5.405 6.793 1.595) 8.826 13.048 ( -1.804 1.275 -2.891) 3.638 13.115 ( -2.200 -1.603 3.928) 4.779 13.226 ( -0.042 -2.215 3.233) 3.919 13.285 ( 1.543 -2.773 -0.531) 3.218 13.343 ( 2.046 -4.356 0.042) 4.812 13.522 ( 4.698 -1.847 -3.705) 6.262 13.979 ( 6.301 -3.495 -5.930) 9.332 14.153 ( 3.771 1.604 6.907) 8.031 14.863 ( 5.445 -0.002 3.245) 6.339 14.955 ( 6.016 -0.860 -1.791) 6.335 15.213 ( -0.683 2.089 3.568) 4.191 15.293 ( 0.895 0.574 -6.361) 6.450 16.033 ( -0.699 2.011 0.078) 2.131 16.061 ( 0.112 0.460 -0.083) 0.481 ======================= Grid point 265 (117/168) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( 10.279 -2.332 -13.758) 17.332 4.658 ( 28.564 -1.764 7.352) 29.547 4.993 ( 19.978 4.302 3.014) 20.657 5.025 ( 12.849 0.598 6.470) 14.398 5.380 ( 11.130 4.849 -6.580) 13.809 5.583 ( -15.834 -2.025 -8.684) 18.172 5.836 ( -8.962 2.603 -3.637) 10.016 6.022 ( -17.587 9.501 -8.820) 21.848 6.235 ( -6.263 3.436 -5.222) 8.849 6.552 ( -10.299 -5.298 2.824) 11.921 6.594 ( 4.173 -7.597 5.246) 10.132 6.850 ( -10.637 -7.382 6.838) 14.642 6.963 ( 7.842 -3.218 4.649) 9.668 7.106 ( -3.232 -0.134 7.404) 8.080 7.433 ( 15.952 -7.501 9.484) 20.017 7.550 ( 5.152 -13.276 5.684) 15.333 7.676 ( 4.532 8.280 1.040) 9.497 7.814 ( 6.221 3.001 -5.649) 8.923 7.995 ( 6.267 0.654 -2.855) 6.918 8.034 ( 5.584 -5.548 -2.563) 8.279 8.192 ( -11.380 7.615 6.114) 14.996 8.565 ( -3.057 -0.860 5.605) 6.442 8.855 ( 2.055 6.046 -9.397) 11.361 9.027 ( -4.480 3.806 -7.353) 9.414 9.353 ( 4.687 3.108 -2.619) 6.204 9.788 ( -7.177 0.029 -0.146) 7.178 9.973 ( 3.482 -2.040 -0.891) 4.133 10.023 ( 7.633 -1.850 -2.544) 8.256 10.282 ( 2.294 3.257 -3.495) 5.300 10.514 ( 2.328 -1.142 4.496) 5.190 10.589 ( 0.243 -2.958 1.359) 3.264 10.695 ( 0.784 -0.345 2.837) 2.963 10.871 ( -3.102 -1.920 -0.758) 3.726 10.925 ( -6.662 3.281 1.397) 7.556 11.147 ( 6.103 -5.365 3.022) 8.669 11.160 ( -5.285 0.476 -1.147) 5.428 11.573 ( -2.805 3.651 -1.684) 4.902 11.845 ( -3.829 -4.040 1.825) 5.858 12.086 ( -1.695 1.007 -0.144) 1.977 12.128 ( 0.248 3.402 -4.673) 5.785 12.346 ( -1.613 1.186 2.783) 3.428 12.462 ( -1.859 1.713 -1.719) 3.057 12.537 ( -4.754 0.062 0.542) 4.785 12.589 ( -1.842 -0.900 -2.304) 3.084 12.693 ( -3.627 -0.725 -0.444) 3.725 12.770 ( 0.854 -0.208 3.784) 3.885 12.984 ( -1.704 2.876 -1.655) 3.730 13.134 ( 1.487 -2.052 4.149) 4.861 13.242 ( -0.926 -3.304 -0.614) 3.486 13.337 ( 3.882 1.075 2.420) 4.700 13.422 ( 2.837 -2.051 -0.135) 3.504 13.591 ( 2.400 0.814 -3.853) 4.612 14.124 ( 4.866 -4.747 -5.747) 8.901 14.198 ( 2.320 1.881 7.229) 7.821 14.939 ( 2.345 -0.236 0.889) 2.519 15.036 ( 1.974 -0.410 -0.597) 2.103 15.169 ( -1.628 2.027 3.831) 4.630 15.295 ( -0.395 -0.027 -6.284) 6.296 15.962 ( -4.614 1.306 7.644) 9.023 16.078 ( 1.459 0.316 -6.956) 7.114 ======================= Grid point 266 (118/168) ======================= q-point: (-0.55 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.567 ( -3.604 8.512 1.759) 9.409 4.891 ( -4.142 8.890 -2.846) 10.212 5.056 ( -7.382 -0.126 -8.559) 11.303 5.188 ( -4.536 4.240 -10.644) 12.323 5.408 ( 4.698 0.094 5.175) 6.990 5.554 ( 8.194 -4.113 0.852) 9.208 5.616 ( -7.446 0.197 -13.707) 15.600 5.819 ( -13.310 0.476 -5.374) 14.362 6.053 ( 5.421 -4.876 -1.522) 7.448 6.511 ( -3.657 -4.769 6.406) 8.784 6.636 ( -8.007 -6.015 11.127) 14.970 6.740 ( -2.921 -8.856 0.370) 9.333 7.059 ( -6.475 -10.430 1.547) 12.374 7.199 ( 6.137 -5.763 4.661) 9.623 7.361 ( -12.721 -0.879 14.080) 18.996 7.625 ( -0.298 5.668 1.831) 5.964 7.777 ( 3.969 -2.856 8.591) 9.885 7.826 ( -1.026 5.183 -3.539) 6.359 7.985 ( -1.650 1.349 4.834) 5.283 8.159 ( 14.086 6.694 -5.604) 16.572 8.245 ( 4.419 8.827 -1.069) 9.929 8.548 ( 3.182 -4.749 8.192) 9.989 8.920 ( 3.704 7.020 -5.827) 9.847 8.948 ( 4.435 8.519 -11.474) 14.964 9.372 ( -0.763 3.051 -6.203) 6.955 9.702 ( -0.693 -1.585 2.901) 3.377 10.043 ( 4.030 -2.915 1.129) 5.100 10.139 ( 1.472 3.271 -0.793) 3.674 10.232 ( -3.715 5.141 -4.945) 8.042 10.564 ( 1.018 -1.559 2.499) 3.116 10.611 ( -0.000 -0.922 0.395) 1.003 10.764 ( 1.212 -0.489 1.080) 1.695 10.810 ( 1.305 -2.951 1.133) 3.420 10.844 ( -1.817 -2.129 -2.987) 4.093 11.052 ( -5.173 -2.848 -0.693) 5.946 11.272 ( 0.228 -4.823 1.239) 4.985 11.540 ( 2.364 2.438 1.333) 3.648 11.814 ( -2.320 -3.461 0.994) 4.284 12.089 ( 2.247 2.168 -3.358) 4.585 12.109 ( 0.897 1.464 -3.506) 3.904 12.333 ( -0.595 -0.773 2.856) 3.018 12.368 ( -3.518 2.201 1.987) 4.601 12.509 ( 0.893 -1.983 0.476) 2.226 12.594 ( 0.966 -0.804 -1.490) 1.949 12.685 ( -0.422 -3.532 0.480) 3.589 12.808 ( 1.681 -1.427 0.705) 2.315 12.961 ( 3.501 5.178 -1.292) 6.382 13.174 ( -0.171 -2.343 3.517) 4.229 13.272 ( 3.388 0.922 -0.996) 3.650 13.402 ( 5.181 3.240 2.930) 6.777 13.476 ( 1.918 -0.005 0.965) 2.147 13.604 ( 1.815 3.117 -4.102) 5.462 14.177 ( -2.220 2.550 5.435) 6.401 14.213 ( -0.300 -2.765 -4.183) 5.023 14.941 ( -2.597 -0.731 0.011) 2.698 15.038 ( -1.335 0.065 -0.106) 1.340 15.142 ( -0.440 0.333 3.359) 3.404 15.272 ( -2.217 -0.650 -6.108) 6.530 15.870 ( -4.890 -0.877 8.518) 9.861 16.099 ( 0.778 -0.686 -6.896) 6.974 ======================= Grid point 267 (119/168) ======================= q-point: (-0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( -15.779 18.563 17.995) 30.288 4.494 ( -23.456 15.633 5.679) 28.755 4.708 ( -29.310 2.754 -18.245) 34.635 4.965 ( -14.543 2.956 -25.118) 29.174 5.203 ( -5.936 -1.416 -17.347) 18.389 5.706 ( 1.595 -11.296 -4.359) 12.212 5.846 ( 9.342 -8.674 9.359) 15.815 5.942 ( 14.298 0.729 -0.837) 14.341 6.116 ( 4.144 -2.953 9.792) 11.035 6.497 ( -12.141 -8.560 3.263) 15.209 6.595 ( -11.450 -2.825 3.805) 12.392 6.647 ( -4.711 -4.317 5.668) 8.542 6.945 ( -10.578 5.189 4.222) 12.516 7.038 ( -6.862 -3.968 -4.078) 8.914 7.531 ( -5.737 4.038 1.445) 7.163 7.552 ( 2.392 14.080 0.573) 14.293 7.674 ( 2.355 -17.569 14.702) 23.030 7.798 ( -0.442 4.080 -3.989) 5.723 8.023 ( 1.730 5.931 9.686) 11.489 8.184 ( 2.408 6.155 0.079) 6.610 8.334 ( 12.218 8.243 -8.818) 17.175 8.609 ( -3.792 2.279 2.388) 5.027 8.816 ( 2.341 5.066 -5.112) 7.568 9.054 ( 9.148 3.280 4.157) 10.570 9.347 ( 0.302 -1.849 -3.272) 3.771 9.713 ( -2.858 -0.847 -2.416) 3.837 9.998 ( -5.192 4.269 1.249) 6.837 10.126 ( -1.779 2.695 -2.728) 4.227 10.237 ( 10.747 -0.820 -1.909) 10.946 10.535 ( -4.821 3.485 3.960) 7.146 10.612 ( -0.874 -0.976 -0.514) 1.407 10.708 ( -3.231 -2.540 -2.332) 4.725 10.854 ( 1.794 -4.328 0.231) 4.691 10.954 ( -0.502 -3.425 -3.238) 4.740 11.088 ( 5.545 -8.104 -0.978) 9.868 11.251 ( -3.089 -0.191 -3.183) 4.440 11.602 ( 6.355 2.229 2.882) 7.325 11.855 ( 1.958 -6.825 1.543) 7.266 12.076 ( 1.111 4.896 -4.205) 6.549 12.160 ( 3.171 -1.732 0.207) 3.619 12.322 ( 0.860 -3.292 3.154) 4.640 12.389 ( 2.258 -2.893 2.554) 4.471 12.563 ( 1.736 -3.070 0.043) 3.527 12.625 ( 2.245 0.444 -0.986) 2.491 12.728 ( 1.270 -4.149 1.112) 4.479 12.843 ( 3.050 1.969 -2.596) 4.463 13.008 ( 5.079 4.535 -0.595) 6.835 13.184 ( 0.627 -0.800 0.552) 1.157 13.305 ( 1.089 2.889 2.790) 4.161 13.467 ( 1.506 5.777 0.352) 5.981 13.485 ( 4.297 2.005 0.995) 4.845 13.625 ( 4.500 5.077 -2.580) 7.258 14.051 ( -7.347 4.962 5.888) 10.643 14.185 ( -4.168 -1.538 -4.368) 6.231 14.868 ( -6.010 -0.687 1.331) 6.194 14.986 ( -4.531 0.078 -0.933) 4.626 15.140 ( -0.530 -1.227 3.566) 3.808 15.232 ( -2.776 -2.086 -6.895) 7.720 15.822 ( -2.398 -3.100 7.454) 8.421 16.112 ( -0.361 -1.765 -5.600) 5.882 ======================= Grid point 268 (120/168) ======================= q-point: (-0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( -26.971 24.493 23.636) 43.428 3.894 ( -23.686 19.348 18.972) 35.991 4.059 ( -32.611 9.739 -23.164) 41.169 4.664 ( -13.106 6.065 -40.882) 43.358 5.152 ( -4.635 0.578 -6.123) 7.702 5.763 ( -15.936 4.777 15.390) 22.663 5.892 ( -2.542 -9.080 -2.921) 9.871 6.061 ( -20.234 6.504 9.704) 23.364 6.087 ( -4.156 -3.265 2.560) 5.872 6.314 ( -7.016 -4.472 -3.141) 8.893 6.384 ( -3.578 5.895 8.793) 11.174 6.557 ( -7.015 12.873 -5.911) 15.807 6.781 ( -6.461 1.072 -9.097) 11.209 6.864 ( -5.080 7.245 -1.880) 9.046 7.252 ( -9.856 4.568 12.732) 16.736 7.478 ( 3.072 7.831 -10.803) 13.692 7.735 ( -1.932 1.478 -2.341) 3.376 7.919 ( 2.659 -9.061 -2.413) 9.747 8.058 ( 2.657 5.629 14.823) 16.077 8.301 ( 16.281 -10.564 9.311) 21.526 8.435 ( 5.211 3.754 -2.815) 7.012 8.544 ( 0.864 -2.561 1.586) 3.134 8.929 ( 6.699 -5.646 -5.613) 10.404 9.239 ( 11.412 -1.292 12.013) 16.620 9.395 ( 0.880 -3.812 -0.266) 3.922 9.620 ( -3.554 -1.712 -7.593) 8.557 9.954 ( 0.054 2.046 -1.595) 2.595 10.079 ( -0.797 0.489 -0.788) 1.223 10.384 ( -6.391 0.810 3.669) 7.414 10.445 ( 7.786 0.371 -4.891) 9.203 10.601 ( -1.610 -0.540 1.056) 1.999 10.697 ( -0.844 -3.041 2.909) 4.292 10.898 ( -2.610 0.444 -9.325) 9.693 10.925 ( -0.508 -3.674 -0.264) 3.718 11.194 ( 0.499 -0.972 0.075) 1.096 11.307 ( 7.523 -4.433 -4.566) 9.854 11.736 ( 9.736 0.819 1.507) 9.886 11.984 ( 3.408 -8.339 1.573) 9.145 12.069 ( 2.002 0.967 1.531) 2.700 12.245 ( 4.509 -1.543 -0.442) 4.787 12.407 ( 3.104 -4.824 1.758) 6.000 12.476 ( 4.022 -2.847 2.336) 5.453 12.613 ( 0.334 -4.699 -1.058) 4.828 12.673 ( 2.986 -0.665 -0.029) 3.060 12.792 ( 1.743 -3.811 0.679) 4.245 12.907 ( 6.700 3.208 -2.844) 7.954 13.023 ( 0.691 3.915 -0.580) 4.017 13.215 ( 0.301 0.124 2.103) 2.128 13.277 ( 0.693 3.366 -0.181) 3.441 13.390 ( -3.297 4.739 -0.328) 5.783 13.549 ( 4.763 5.370 1.730) 7.384 13.634 ( 2.034 9.619 -3.508) 10.439 13.872 ( -6.089 4.201 5.670) 9.320 14.124 ( -2.960 -1.031 -2.103) 3.774 14.743 ( -7.704 0.151 3.134) 8.319 14.877 ( -6.623 0.725 -2.257) 7.035 15.139 ( -1.460 -2.297 3.046) 4.085 15.212 ( -2.292 -3.578 -6.503) 7.769 15.838 ( 0.443 -3.462 5.090) 6.171 16.111 ( -1.606 -2.278 -3.835) 4.741 ======================= Grid point 269 (121/168) ======================= q-point: (-0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -24.859 30.066 23.947) 45.776 3.316 ( -21.080 21.842 28.434) 41.593 3.402 ( -23.999 17.937 -21.875) 37.098 4.304 ( -17.488 15.546 -40.837) 47.066 4.869 ( -29.380 26.406 17.640) 43.263 5.026 ( -29.741 18.508 11.837) 36.975 5.542 ( -17.898 10.585 -0.579) 20.802 5.729 ( -27.352 24.173 -14.773) 39.379 5.799 ( -22.881 24.929 -9.741) 35.212 6.055 ( 3.253 -11.190 -0.884) 11.687 6.261 ( -14.363 15.147 -0.551) 20.881 6.507 ( 8.173 -12.211 -2.441) 14.895 6.659 ( -7.525 0.983 5.212) 9.206 6.866 ( 2.504 -10.920 0.711) 11.226 7.285 ( 10.928 2.826 -5.159) 12.411 7.491 ( 7.526 2.922 -0.512) 8.090 7.729 ( -3.271 -8.031 3.661) 9.413 8.050 ( 2.907 2.179 10.004) 10.643 8.099 ( 4.318 -14.946 -4.471) 16.187 8.521 ( 0.652 -11.365 7.638) 13.709 8.616 ( 6.253 -1.805 1.371) 6.651 8.797 ( 18.964 -13.640 6.009) 24.121 9.041 ( -0.086 -3.155 -6.379) 7.118 9.455 ( 9.141 1.435 0.886) 9.296 9.487 ( 7.419 -9.774 6.820) 14.039 9.678 ( 4.647 -3.681 -5.696) 8.222 9.872 ( -5.375 3.403 -3.755) 7.388 10.102 ( 1.491 -0.694 3.461) 3.831 10.264 ( -5.952 -0.516 2.834) 6.613 10.488 ( -2.868 -0.649 -0.003) 2.940 10.543 ( -5.078 -2.129 -6.006) 8.148 10.745 ( 2.402 0.103 1.521) 2.845 10.865 ( 2.070 0.101 -2.351) 3.134 10.976 ( 3.976 1.115 -3.636) 5.502 11.241 ( 3.272 -2.208 0.194) 3.952 11.460 ( 4.286 -4.236 -6.572) 8.916 11.911 ( 8.932 0.751 -0.607) 8.984 12.082 ( 3.952 -2.374 2.355) 5.177 12.151 ( 2.718 -4.401 3.044) 6.002 12.348 ( 3.525 -5.296 2.569) 6.861 12.490 ( 2.115 -2.217 1.885) 3.597 12.561 ( 4.077 -0.019 -1.152) 4.237 12.677 ( 1.324 -5.680 0.032) 5.833 12.739 ( 2.060 -3.155 0.694) 3.832 12.859 ( 1.300 -4.656 -1.874) 5.185 12.974 ( -1.786 2.357 -0.097) 2.958 13.013 ( 6.205 3.746 -0.826) 7.296 13.170 ( -1.675 1.369 3.593) 4.193 13.263 ( -3.742 5.226 -1.013) 6.507 13.301 ( 0.066 1.020 -4.101) 4.226 13.517 ( -1.552 10.847 -1.684) 11.086 13.570 ( 1.844 4.177 2.098) 5.025 13.811 ( 1.992 3.194 3.532) 5.162 14.085 ( -2.390 0.185 -0.561) 2.462 14.607 ( -6.177 1.527 4.526) 7.808 14.752 ( -5.695 1.032 -3.839) 6.945 15.130 ( -1.909 -2.559 2.253) 3.907 15.198 ( -2.464 -3.438 -5.233) 6.729 15.893 ( 2.237 -2.760 2.812) 4.531 16.093 ( -2.309 -2.164 -2.139) 3.819 ======================= Grid point 270 (122/168) ======================= q-point: (-0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -7.332 38.357 28.543) 48.370 2.743 ( -20.534 30.738 30.483) 47.913 2.885 ( -11.284 23.390 -27.093) 37.530 3.621 ( -30.624 37.293 -30.294) 56.977 3.815 ( -33.715 34.461 51.315) 70.410 4.629 ( -10.400 14.253 2.097) 17.768 5.040 ( -22.700 13.897 -11.003) 28.801 5.054 ( -16.782 21.069 -39.661) 47.943 5.320 ( -6.877 24.395 5.790) 25.999 5.710 ( -15.819 28.059 -7.637) 33.104 6.337 ( 9.025 -16.086 -0.460) 18.450 6.569 ( -7.179 -10.429 7.268) 14.599 6.744 ( 6.173 -8.639 0.943) 10.659 6.970 ( -1.231 -5.221 -3.295) 6.296 7.462 ( 10.417 -3.612 -9.724) 14.701 7.703 ( 1.436 -9.244 5.508) 10.856 7.766 ( 9.848 -1.748 7.637) 12.584 8.103 ( 0.643 -5.504 3.029) 6.315 8.309 ( 3.655 -13.999 -1.027) 14.504 8.608 ( -3.962 -10.913 4.122) 12.320 8.751 ( 4.914 -6.669 4.082) 9.235 9.036 ( -1.158 -2.595 -7.527) 8.046 9.199 ( 11.491 -10.459 3.964) 16.036 9.590 ( -0.963 3.852 -0.569) 4.011 9.629 ( 6.157 0.630 -2.274) 6.594 9.785 ( 0.313 -4.542 4.091) 6.121 9.830 ( 8.217 -1.535 -2.685) 8.780 10.090 ( -3.430 1.011 4.500) 5.747 10.182 ( -2.714 -1.006 0.653) 2.968 10.438 ( -2.790 -3.658 -2.965) 5.473 10.522 ( 0.262 -3.581 -2.036) 4.128 10.736 ( -3.102 -0.945 -2.549) 4.124 10.921 ( 2.847 1.845 7.385) 8.127 11.026 ( 2.697 2.480 -4.628) 5.903 11.338 ( 4.026 -2.349 -0.754) 4.722 11.501 ( -2.203 -0.994 -8.549) 8.885 12.032 ( 5.910 1.277 -0.406) 6.060 12.186 ( -1.436 -1.034 0.129) 1.775 12.211 ( 7.831 -1.435 2.149) 8.246 12.429 ( -2.099 -4.927 4.603) 7.062 12.533 ( 2.734 -0.296 3.775) 4.671 12.652 ( 4.620 -2.404 -4.416) 6.828 12.742 ( 1.510 -3.293 1.540) 3.936 12.787 ( -0.009 -3.303 0.677) 3.372 12.880 ( -2.419 1.215 1.636) 3.163 12.929 ( -2.586 -4.954 -3.778) 6.746 13.055 ( 3.041 4.863 2.568) 6.284 13.130 ( -1.998 2.936 0.540) 3.592 13.171 ( -0.296 3.537 -2.136) 4.142 13.249 ( -3.599 4.531 -5.223) 7.795 13.486 ( 5.289 2.754 0.598) 5.994 13.565 ( 0.661 2.177 1.795) 2.898 13.843 ( 3.267 2.531 4.411) 6.044 14.036 ( -2.733 -1.279 -2.768) 4.095 14.506 ( -2.565 3.032 5.145) 6.499 14.651 ( -3.967 2.394 -4.763) 6.645 15.120 ( -1.399 -2.295 2.017) 3.360 15.183 ( -1.908 -2.641 -4.261) 5.364 15.962 ( 2.797 -2.078 1.589) 3.829 16.069 ( -2.137 -1.794 -1.078) 2.991 ======================= Grid point 271 (123/168) ======================= q-point: (-0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -18.367 34.833 34.976) 52.669 2.128 ( 21.239 44.876 32.780) 59.493 2.664 ( 11.972 24.685 -33.177) 43.051 2.799 ( -16.508 33.891 -33.896) 50.695 3.338 ( 3.020 17.857 75.442) 77.586 4.414 ( 1.063 13.446 -5.116) 14.426 4.583 ( -5.540 14.999 1.045) 16.024 4.788 ( -0.394 10.460 -52.994) 54.018 5.071 ( 0.799 18.859 12.056) 22.397 5.328 ( -0.617 20.869 -13.303) 24.756 6.494 ( -6.191 -11.788 11.285) 17.454 6.667 ( 5.729 -10.749 -5.564) 13.390 6.877 ( 1.615 -3.919 2.875) 5.122 6.939 ( -3.441 -1.169 -3.930) 5.353 7.637 ( 3.076 -2.723 3.922) 5.679 7.776 ( 2.446 -11.094 -11.476) 16.148 8.009 ( 5.302 -6.552 7.176) 11.070 8.167 ( 1.379 -6.957 -7.408) 10.256 8.465 ( 3.134 -6.393 8.269) 10.911 8.584 ( -5.666 -7.789 -2.541) 9.961 8.876 ( -0.840 -5.594 7.687) 9.544 9.012 ( -3.221 -3.694 -5.548) 7.402 9.390 ( 0.069 -5.648 5.520) 7.898 9.468 ( -4.090 -0.805 -3.525) 5.460 9.716 ( 1.894 5.026 2.584) 5.960 9.778 ( 0.567 4.785 -3.767) 6.116 9.933 ( -3.324 -1.160 9.310) 9.954 10.060 ( 4.815 -2.471 -5.122) 7.452 10.234 ( 5.245 -1.207 6.098) 8.133 10.382 ( -9.067 -4.929 -8.791) 13.557 10.620 ( 5.037 -2.971 2.461) 6.345 10.661 ( -4.556 -0.794 -1.793) 4.960 10.925 ( -0.185 1.929 7.346) 7.597 11.021 ( -0.380 2.152 -3.229) 3.899 11.368 ( -2.131 -0.846 3.526) 4.206 11.462 ( 0.484 1.874 -7.207) 7.463 12.110 ( 4.096 1.827 0.762) 4.549 12.131 ( -4.283 0.186 -1.485) 4.537 12.365 ( -2.635 -0.074 0.178) 2.642 12.376 ( 5.595 -0.793 -0.824) 5.711 12.592 ( 1.450 -0.481 6.048) 6.238 12.690 ( -2.530 -0.992 -4.481) 5.241 12.795 ( -0.008 -2.119 1.976) 2.897 12.809 ( 0.215 -1.075 0.481) 1.197 12.865 ( 1.447 -4.145 1.756) 4.728 12.897 ( -2.372 -1.335 -1.328) 3.028 13.041 ( -0.260 3.158 3.963) 5.074 13.127 ( 0.544 6.536 -3.688) 7.525 13.137 ( -1.835 3.762 -2.306) 4.779 13.155 ( 3.155 -0.193 -4.308) 5.343 13.550 ( -1.610 -0.036 1.206) 2.012 13.560 ( 2.273 0.361 0.107) 2.304 13.887 ( 3.471 0.844 6.932) 7.798 14.012 ( -2.579 -2.513 -6.192) 7.163 14.471 ( 1.494 2.690 5.333) 6.157 14.567 ( -1.575 3.362 -5.010) 6.235 15.124 ( -0.087 -1.635 2.274) 2.802 15.179 ( -0.376 -1.801 -3.641) 4.080 16.024 ( 1.929 -1.512 1.404) 2.824 16.048 ( -1.670 -1.310 -1.156) 2.417 ======================= Grid point 274 (124/168) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( 32.054 0.000 15.858) 35.762 4.166 ( 20.353 0.000 -19.763) 28.369 4.500 ( 34.860 0.000 -2.302) 34.935 4.584 ( 34.682 0.000 6.102) 35.215 5.489 ( -3.961 -0.000 -5.246) 6.573 5.606 ( 4.926 0.000 -4.923) 6.965 6.115 ( 4.222 0.000 7.714) 8.794 6.266 ( 1.876 0.000 -0.851) 2.060 6.299 ( 44.502 0.000 18.119) 48.049 6.371 ( 1.967 0.000 -1.921) 2.749 6.587 ( -8.273 -0.000 5.612) 9.997 6.689 ( 35.430 0.000 -12.839) 37.684 6.691 ( -10.657 -0.000 -3.578) 11.241 6.866 ( 19.645 0.000 5.625) 20.434 7.195 ( -22.170 -0.000 -2.987) 22.371 7.308 ( 18.692 0.000 -11.890) 22.153 7.702 ( -4.646 -0.000 0.525) 4.676 7.729 ( -16.594 -0.000 14.175) 21.824 7.940 ( -6.433 -0.000 -12.677) 14.216 8.058 ( -4.762 -0.000 -6.427) 7.999 8.618 ( -16.137 -0.000 10.052) 19.012 8.645 ( -7.967 -0.000 2.084) 8.235 9.088 ( -4.868 -0.000 2.672) 5.553 9.093 ( -4.596 -0.000 -5.536) 7.195 9.361 ( -2.559 -0.000 5.374) 5.953 9.729 ( 8.614 0.000 -5.093) 10.007 9.977 ( -1.492 -0.000 -13.044) 13.129 9.989 ( -6.203 -0.000 5.910) 8.567 10.222 ( 4.754 0.000 5.374) 7.175 10.514 ( 1.278 0.000 2.582) 2.881 10.580 ( -2.274 -0.000 1.157) 2.552 10.628 ( 3.033 0.000 -0.485) 3.072 10.868 ( 3.933 0.000 1.555) 4.230 10.889 ( -1.968 -0.000 -1.776) 2.651 11.204 ( -4.129 -0.000 -6.384) 7.603 11.219 ( -5.423 -0.000 7.311) 9.102 11.778 ( -3.399 -0.000 -3.809) 5.105 11.781 ( -7.020 -0.000 4.629) 8.409 12.158 ( -1.841 -0.000 0.355) 1.875 12.240 ( -7.086 -0.000 -0.500) 7.103 12.383 ( 0.177 0.000 0.908) 0.925 12.540 ( -1.554 -0.000 -4.073) 4.359 12.553 ( -4.989 -0.000 1.241) 5.140 12.711 ( -4.877 -0.000 1.995) 5.269 12.719 ( -5.056 -0.000 -4.174) 6.556 12.911 ( -6.555 -0.000 3.477) 7.420 13.054 ( -2.541 -0.000 -2.819) 3.795 13.097 ( -1.847 -0.000 4.496) 4.861 13.201 ( -2.996 -0.000 2.591) 3.961 13.277 ( 6.440 0.000 0.367) 6.451 13.289 ( 3.266 0.000 -0.525) 3.308 13.505 ( 5.962 0.000 -4.273) 7.335 13.947 ( 5.785 0.000 -6.346) 8.587 14.168 ( 3.886 0.000 6.848) 7.874 14.863 ( 5.338 0.000 3.521) 6.395 14.947 ( 6.101 0.000 -2.185) 6.480 15.233 ( -0.566 -0.000 4.131) 4.169 15.298 ( 0.436 0.000 -6.757) 6.771 16.058 ( 1.761 0.000 -7.690) 7.890 16.059 ( -2.748 -0.000 7.633) 8.113 ======================= Grid point 275 (125/168) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( 16.235 -0.991 -15.041) 22.153 4.639 ( 31.871 -0.484 8.431) 32.970 5.045 ( 10.518 1.089 6.657) 12.496 5.072 ( 27.608 3.370 1.212) 27.839 5.428 ( 6.330 0.437 -9.072) 11.071 5.552 ( -9.622 -0.767 -12.227) 15.578 5.923 ( -21.970 7.198 -4.052) 23.472 6.106 ( -21.266 -3.276 -3.580) 21.813 6.305 ( -3.366 3.598 1.244) 5.082 6.418 ( -6.893 -1.430 0.662) 7.071 6.501 ( -7.329 -5.444 1.563) 9.263 6.703 ( -2.340 -6.507 -0.286) 6.921 6.994 ( -4.796 4.673 7.246) 9.866 7.117 ( -17.133 -0.034 10.821) 20.264 7.315 ( 19.523 -8.170 12.772) 24.719 7.356 ( 23.499 -3.746 9.159) 25.497 7.803 ( 13.720 4.811 1.885) 14.661 7.855 ( 8.953 2.101 -7.430) 11.823 7.937 ( 10.731 -4.545 -5.807) 13.021 8.012 ( 3.512 0.334 -4.091) 5.402 8.299 ( -15.514 3.504 8.015) 17.810 8.555 ( -2.406 -0.294 5.971) 6.444 8.950 ( -2.867 3.747 -3.007) 5.595 9.063 ( 0.271 0.368 -12.534) 12.542 9.397 ( 6.276 1.351 -5.002) 8.138 9.798 ( -6.733 0.668 6.049) 9.076 9.957 ( 3.697 0.513 -7.933) 8.767 9.988 ( 6.934 -2.059 -5.528) 9.104 10.318 ( 5.079 0.744 -1.723) 5.415 10.510 ( -0.374 -0.506 3.717) 3.770 10.560 ( -0.627 0.880 4.087) 4.227 10.675 ( 1.485 -1.773 3.329) 4.054 10.839 ( -3.335 -1.052 -2.246) 4.156 10.955 ( -0.646 -0.226 3.259) 3.330 11.099 ( -1.878 0.584 -1.230) 2.320 11.146 ( -5.253 -1.806 0.812) 5.614 11.652 ( -3.438 4.769 1.390) 6.041 11.756 ( -3.156 -5.158 0.046) 6.047 12.116 ( -2.407 2.356 -1.371) 3.636 12.151 ( -1.269 -0.985 -0.796) 1.793 12.379 ( -0.499 1.385 0.853) 1.701 12.479 ( -2.017 0.779 0.021) 2.162 12.521 ( -2.521 -1.125 -2.743) 3.891 12.602 ( -3.448 2.755 -0.309) 4.424 12.674 ( -3.244 -3.096 -2.753) 5.262 12.777 ( -4.985 1.150 5.396) 7.436 13.024 ( 0.329 1.346 -1.045) 1.736 13.099 ( 0.740 -1.314 4.606) 4.847 13.197 ( 1.436 -1.672 1.192) 2.505 13.357 ( 5.136 0.998 1.635) 5.482 13.399 ( 5.734 -0.766 -0.013) 5.785 13.597 ( 4.014 0.043 -5.018) 6.426 14.059 ( 5.264 -2.128 -6.537) 8.659 14.223 ( 2.059 0.781 7.403) 7.724 14.935 ( 2.042 -0.158 0.792) 2.196 15.028 ( 2.507 -0.315 -0.665) 2.613 15.201 ( -2.293 1.198 5.157) 5.769 15.291 ( -0.991 -0.257 -7.437) 7.507 15.980 ( -5.726 0.614 8.624) 10.370 16.081 ( 0.941 0.032 -8.045) 8.100 ======================= Grid point 276 (126/168) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( 6.221 6.158 -3.808) 9.546 5.004 ( -1.529 2.463 -10.460) 10.854 5.073 ( -0.147 2.005 -5.570) 5.922 5.330 ( -6.117 12.176 -9.722) 16.739 5.393 ( 1.858 -1.390 1.841) 2.962 5.526 ( 5.957 1.276 3.607) 7.080 5.614 ( -7.379 -0.834 -13.717) 15.598 5.820 ( -11.355 -3.337 -1.125) 11.888 5.950 ( -11.324 -3.913 -6.928) 13.840 6.397 ( -3.281 -8.418 14.028) 16.686 6.513 ( -13.922 -7.604 6.427) 17.116 6.631 ( -3.884 -1.038 10.622) 11.357 6.862 ( -1.837 -10.277 -3.843) 11.125 7.053 ( 2.910 -7.241 18.047) 19.662 7.419 ( -8.471 4.086 3.557) 10.055 7.667 ( 7.467 -1.394 -6.694) 10.124 7.799 ( 0.537 4.946 17.394) 18.091 7.898 ( -0.278 2.738 -4.387) 5.179 8.006 ( -5.636 1.929 3.701) 7.013 8.276 ( 18.288 4.529 1.300) 18.886 8.367 ( 17.297 3.400 -0.093) 17.629 8.465 ( -4.627 -2.787 4.992) 7.354 9.003 ( 8.906 2.785 -4.837) 10.510 9.097 ( 5.996 6.845 -16.270) 18.642 9.465 ( -0.137 6.702 -9.382) 11.531 9.669 ( -2.804 -2.204 3.903) 5.288 10.003 ( 3.557 -1.661 -1.762) 4.303 10.178 ( 7.856 1.198 -2.353) 8.287 10.331 ( -2.137 5.888 -3.202) 7.035 10.525 ( 0.778 -2.868 1.900) 3.527 10.567 ( -0.129 -3.251 2.065) 3.854 10.725 ( 1.147 -3.409 4.543) 5.794 10.780 ( -3.111 -0.503 -0.830) 3.258 10.851 ( -3.149 2.513 -1.716) 4.379 11.002 ( -9.876 -2.867 -0.817) 10.316 11.174 ( 0.546 -5.268 1.304) 5.455 11.591 ( 1.242 3.237 2.466) 4.254 11.745 ( -2.713 -4.447 0.134) 5.211 12.076 ( 0.138 0.499 -0.875) 1.017 12.172 ( 2.124 0.531 -3.176) 3.858 12.341 ( -1.075 2.923 0.261) 3.125 12.419 ( -5.542 2.455 -0.448) 6.078 12.481 ( 0.332 -1.332 2.624) 2.961 12.566 ( 0.512 -1.201 0.548) 1.415 12.653 ( -0.368 -0.851 -1.610) 1.858 12.768 ( 1.889 -2.607 2.210) 3.905 13.037 ( 3.328 3.032 -2.147) 4.988 13.144 ( 2.573 -0.933 5.701) 6.324 13.270 ( 4.709 -1.095 -1.102) 4.959 13.445 ( 5.171 2.399 4.234) 7.101 13.496 ( 5.412 1.100 1.150) 5.642 13.646 ( 2.902 1.610 -6.633) 7.417 14.148 ( 1.663 -2.778 -6.036) 6.849 14.224 ( -1.560 1.393 6.862) 7.173 14.929 ( -2.980 -0.528 0.127) 3.029 15.038 ( -1.573 -0.107 -0.082) 1.579 15.153 ( -1.733 0.801 4.133) 4.553 15.262 ( -2.471 -0.532 -7.225) 7.655 15.859 ( -7.018 -0.366 9.111) 11.507 16.088 ( -0.029 -0.454 -7.391) 7.405 ======================= Grid point 277 (127/168) ======================= q-point: (-0.55 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( -6.176 16.813 10.111) 20.569 4.751 ( -22.791 6.819 -4.042) 24.130 4.814 ( -14.569 13.389 -12.563) 23.439 5.044 ( -12.401 7.556 -12.446) 19.125 5.190 ( -9.576 -0.038 -25.189) 26.948 5.533 ( -8.170 -8.034 -9.481) 14.872 5.682 ( 8.347 -7.760 2.152) 11.598 5.932 ( 1.094 -3.281 5.600) 6.582 6.067 ( 16.518 -2.808 12.106) 20.671 6.230 ( -9.262 -16.540 6.870) 20.163 6.567 ( 4.585 -5.753 17.069) 18.586 6.584 ( -10.780 -0.631 -3.324) 11.298 6.878 ( -3.335 -7.833 0.058) 8.514 7.125 ( -10.721 8.044 0.837) 13.429 7.308 ( 8.721 -15.469 20.437) 27.074 7.650 ( -6.125 6.757 -4.315) 10.089 7.759 ( 1.840 6.628 7.599) 10.250 7.874 ( 1.403 3.301 -2.284) 4.252 8.073 ( 7.126 -1.393 2.962) 7.842 8.252 ( -6.390 2.857 -3.026) 7.625 8.496 ( 11.809 9.250 -4.872) 15.772 8.650 ( 5.612 2.194 8.753) 10.627 8.995 ( -4.420 12.953 -9.675) 16.761 9.138 ( 5.500 5.468 -2.655) 8.197 9.348 ( -1.997 2.254 -3.497) 4.615 9.682 ( -2.899 -2.878 -4.517) 6.090 10.061 ( -4.374 2.984 2.815) 5.997 10.193 ( -2.517 4.811 -4.629) 7.135 10.245 ( 8.124 1.774 0.720) 8.347 10.565 ( -2.618 -4.062 -1.763) 5.144 10.573 ( -0.003 -1.686 3.645) 4.016 10.659 ( -10.642 -1.593 -0.176) 10.762 10.791 ( 2.801 -0.633 -0.620) 2.937 10.885 ( -5.049 -5.607 -2.118) 7.836 10.944 ( 8.716 -6.902 -1.065) 11.169 11.194 ( -2.853 -5.450 -1.462) 6.322 11.640 ( 5.693 1.630 4.485) 7.429 11.755 ( 0.007 -4.881 -0.602) 4.918 12.111 ( 2.441 -2.270 0.459) 3.365 12.178 ( 0.700 5.370 -5.014) 7.380 12.295 ( -1.951 -0.769 1.574) 2.622 12.348 ( 0.371 -0.537 1.599) 1.727 12.526 ( 2.040 -1.251 2.010) 3.126 12.620 ( 3.108 -1.757 2.154) 4.170 12.670 ( 1.311 -1.504 -0.788) 2.145 12.849 ( 4.592 -0.985 -0.113) 4.698 13.090 ( 5.298 3.457 -2.871) 6.947 13.191 ( 2.465 1.868 3.718) 4.836 13.345 ( 2.400 1.301 0.200) 2.737 13.488 ( 0.631 0.154 1.735) 1.853 13.575 ( 6.157 4.869 3.021) 8.411 13.704 ( 6.736 3.617 -5.527) 9.434 14.124 ( -6.406 2.989 5.036) 8.679 14.159 ( -3.225 -1.187 -4.361) 5.552 14.855 ( -5.444 -0.778 1.344) 5.661 14.980 ( -4.969 -0.643 -0.255) 5.017 15.123 ( -1.757 -0.619 3.277) 3.770 15.208 ( -3.635 -0.785 -7.402) 8.283 15.769 ( -3.990 -2.722 7.880) 9.242 16.085 ( -0.944 -1.258 -5.820) 6.029 ======================= Grid point 278 (128/168) ======================= q-point: (-0.45 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( -20.770 23.901 6.916) 32.411 4.262 ( -18.048 21.921 15.828) 32.508 4.337 ( -16.526 22.645 -7.370) 28.986 4.766 ( -10.179 5.820 -39.000) 40.724 5.143 ( 0.941 -1.775 -15.699) 15.827 5.614 ( 3.368 -16.404 -4.781) 17.415 5.796 ( -10.445 -4.555 17.257) 20.680 5.948 ( 7.037 -9.902 -0.800) 12.174 6.092 ( -12.715 -4.157 9.635) 16.486 6.286 ( -12.919 1.836 -4.947) 13.955 6.534 ( -1.370 -1.283 8.670) 8.871 6.604 ( 7.406 5.998 15.781) 18.436 6.910 ( -3.461 -3.002 -3.783) 5.941 6.919 ( 1.632 9.589 -4.203) 10.596 7.350 ( -10.883 3.154 9.652) 14.884 7.623 ( -3.771 5.134 -4.560) 7.833 7.727 ( 2.894 1.828 0.657) 3.485 7.836 ( 2.292 2.062 -3.401) 4.591 8.091 ( 2.107 -0.130 7.133) 7.439 8.271 ( 4.677 2.536 3.433) 6.332 8.499 ( -10.997 4.141 0.825) 11.780 8.609 ( 8.315 9.497 -5.131) 13.626 8.871 ( 0.282 0.658 -3.349) 3.425 9.208 ( 6.042 -1.486 7.550) 9.783 9.351 ( 1.146 -1.372 -1.652) 2.434 9.581 ( -7.701 -2.788 -5.880) 10.082 9.963 ( -1.891 -0.364 -0.101) 1.928 10.106 ( -3.578 2.210 -4.008) 5.809 10.402 ( -0.470 0.151 1.340) 1.428 10.439 ( -5.977 -0.754 0.122) 6.026 10.548 ( -5.908 -5.701 0.858) 8.254 10.630 ( 4.785 -4.128 2.222) 6.698 10.820 ( -3.644 -5.854 -2.601) 7.369 10.906 ( 4.213 -0.157 -5.210) 6.703 11.142 ( 3.121 -4.521 -1.632) 5.731 11.223 ( 4.204 -5.758 -1.928) 7.386 11.756 ( 7.868 0.382 4.785) 9.217 11.843 ( 3.945 -6.601 -0.856) 7.737 12.118 ( -0.820 3.053 0.071) 3.162 12.200 ( 3.564 -2.567 1.659) 4.695 12.326 ( 2.646 -2.795 -0.617) 3.898 12.402 ( 2.636 -4.551 0.573) 5.290 12.566 ( 1.200 -1.085 0.903) 1.853 12.679 ( 3.002 0.530 -0.049) 3.049 12.731 ( 2.514 -2.846 2.358) 4.470 12.945 ( 5.963 0.961 -0.986) 6.120 13.120 ( 1.660 6.340 -3.590) 7.472 13.218 ( 2.066 0.646 2.930) 3.643 13.337 ( -0.285 2.971 0.597) 3.044 13.449 ( -3.701 1.595 -0.944) 4.139 13.640 ( 5.065 5.169 4.058) 8.297 13.788 ( 5.413 7.345 -5.510) 10.659 13.943 ( -8.130 3.716 5.494) 10.492 14.106 ( -2.571 -1.051 -3.010) 4.095 14.747 ( -6.479 0.402 2.531) 6.968 14.881 ( -6.098 -0.394 -0.954) 6.185 15.099 ( -2.360 -2.112 2.646) 4.127 15.155 ( -3.227 -2.578 -6.128) 7.390 15.772 ( 0.504 -3.823 4.780) 6.141 16.073 ( -1.794 -1.937 -3.861) 4.678 ======================= Grid point 279 (129/168) ======================= q-point: (-0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -12.157 36.148 11.428) 39.813 3.720 ( -17.198 24.894 14.278) 33.456 3.851 ( -10.644 30.894 0.709) 32.684 4.521 ( -9.016 10.066 -45.250) 47.225 5.144 ( 0.424 9.806 -6.027) 11.518 5.494 ( -22.305 20.451 20.251) 36.412 5.737 ( -15.101 10.031 0.619) 18.140 5.821 ( -0.841 -7.671 2.730) 8.186 6.036 ( -4.990 1.003 4.829) 7.016 6.175 ( -5.965 2.267 -5.563) 8.465 6.299 ( -4.545 2.622 3.564) 6.343 6.513 ( -12.923 18.981 -2.148) 23.063 6.675 ( -6.745 -1.835 0.170) 6.992 6.860 ( -8.479 10.892 -0.447) 13.810 7.361 ( 12.123 4.740 -8.651) 15.629 7.521 ( -2.639 1.132 -4.616) 5.436 7.594 ( -6.226 -4.318 2.795) 8.076 7.879 ( 0.231 -5.935 -6.348) 8.693 8.160 ( 0.074 8.036 12.786) 15.101 8.315 ( -5.097 -9.789 5.917) 12.522 8.522 ( 16.856 -12.362 11.709) 23.959 8.683 ( 5.395 3.565 -2.276) 6.855 8.955 ( 3.069 -6.583 -8.587) 11.247 9.311 ( 0.474 -8.113 3.578) 8.880 9.448 ( 9.071 -3.509 3.417) 10.309 9.584 ( 2.775 -6.267 -4.923) 8.439 9.908 ( -5.765 0.172 -4.221) 7.148 10.070 ( -0.191 -2.796 1.303) 3.091 10.256 ( -7.741 -0.559 2.943) 8.301 10.426 ( -4.003 -6.118 -0.069) 7.311 10.453 ( -10.362 -7.572 -1.019) 12.874 10.762 ( 0.084 0.621 -2.461) 2.540 10.831 ( 5.781 -3.432 1.379) 6.863 10.999 ( 6.246 1.352 -7.816) 10.096 11.193 ( 1.735 -3.010 0.456) 3.504 11.378 ( 4.628 -5.370 -3.375) 7.851 11.917 ( 7.841 -2.621 2.526) 8.644 11.991 ( 6.251 -4.645 0.600) 7.811 12.110 ( 1.441 -0.763 4.129) 4.439 12.276 ( 1.728 -2.985 1.701) 3.846 12.414 ( 2.737 -5.023 0.126) 5.722 12.514 ( 3.670 -6.664 0.108) 7.609 12.591 ( 0.719 -0.914 -0.426) 1.239 12.727 ( 2.277 -0.112 0.259) 2.294 12.795 ( 2.086 -1.999 0.323) 2.908 13.016 ( 0.070 2.150 -0.913) 2.337 13.086 ( 4.129 4.919 -2.139) 6.769 13.207 ( -2.249 2.179 4.628) 5.588 13.319 ( 0.795 1.950 -3.479) 4.067 13.348 ( -4.718 3.003 -1.275) 5.736 13.645 ( -1.366 5.106 2.427) 5.816 13.694 ( -2.165 7.855 0.367) 8.156 13.869 ( 1.410 3.574 -0.310) 3.854 14.091 ( -0.743 0.356 -0.345) 0.893 14.636 ( -4.251 1.797 3.454) 5.765 14.775 ( -4.561 1.382 -2.526) 5.394 15.080 ( -2.270 -3.008 2.023) 4.277 15.130 ( -2.724 -4.042 -4.399) 6.565 15.838 ( 2.758 -3.300 2.132) 4.800 16.053 ( -2.338 -2.302 -2.050) 3.869 ======================= Grid point 280 (130/168) ======================= q-point: (-0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 2.106 45.180 21.120) 49.918 3.250 ( -9.701 28.124 25.138) 38.949 3.429 ( -2.840 35.221 -13.185) 37.715 4.167 ( -14.894 23.618 -38.958) 47.931 4.608 ( -29.529 51.470 33.011) 67.903 4.972 ( -1.771 22.779 2.839) 23.024 5.337 ( -16.307 18.112 -1.210) 24.401 5.542 ( -19.259 34.432 -38.020) 54.790 5.795 ( -3.717 23.161 12.591) 26.623 6.045 ( 6.317 -15.577 -0.378) 16.814 6.223 ( -6.480 21.247 -3.108) 22.429 6.411 ( -13.822 1.793 3.079) 14.274 6.559 ( 7.451 -12.246 3.803) 14.831 6.781 ( 0.076 -12.838 -2.707) 13.121 7.410 ( -0.888 -4.663 -16.212) 16.893 7.444 ( -8.814 -14.257 -2.086) 16.891 7.771 ( 13.986 1.356 8.068) 16.203 8.009 ( 1.660 -14.061 -6.387) 15.532 8.115 ( 2.390 1.102 14.319) 14.558 8.370 ( -1.560 -12.596 8.770) 15.428 8.703 ( 1.411 -1.044 1.411) 2.253 8.941 ( 0.517 -8.820 -3.212) 9.401 9.034 ( 12.252 -7.751 1.336) 14.560 9.524 ( 10.003 -11.043 0.478) 14.908 9.591 ( -2.926 -5.220 -2.464) 6.471 9.705 ( 6.760 -2.846 -1.580) 7.503 9.829 ( 0.509 -0.675 -0.697) 1.095 10.056 ( -7.304 -4.791 2.847) 9.188 10.160 ( -3.184 -1.796 1.792) 4.071 10.335 ( -9.080 -8.088 -4.727) 13.046 10.448 ( 1.802 -4.473 4.872) 6.855 10.713 ( -4.466 -2.014 -4.627) 6.739 10.952 ( 4.437 1.390 5.896) 7.509 11.074 ( 3.359 2.622 -7.023) 8.215 11.286 ( 4.842 -3.482 -0.810) 6.018 11.454 ( -0.960 -4.174 -4.931) 6.532 12.053 ( 5.921 -0.027 -0.616) 5.953 12.125 ( 2.784 -4.704 1.430) 5.650 12.196 ( 5.499 -1.931 4.431) 7.322 12.321 ( -0.381 -5.234 2.752) 5.925 12.505 ( 3.241 -3.699 1.776) 5.229 12.603 ( 0.318 -3.187 1.751) 3.650 12.636 ( 1.088 -6.395 -0.773) 6.533 12.755 ( -0.560 -2.471 0.097) 2.536 12.842 ( 1.465 -1.326 -2.820) 3.443 12.937 ( -3.642 3.509 -0.262) 5.064 13.139 ( 2.273 4.431 0.366) 4.994 13.158 ( -0.426 0.980 3.005) 3.190 13.245 ( -2.073 3.670 -1.933) 4.637 13.300 ( -1.236 1.874 -5.178) 5.644 13.556 ( 0.185 4.408 1.196) 4.572 13.638 ( -0.582 5.125 2.285) 5.641 13.889 ( 3.457 2.360 -1.119) 4.333 14.036 ( -3.890 1.831 -0.324) 4.311 14.566 ( -1.077 3.627 4.811) 6.120 14.699 ( -1.924 2.899 -4.595) 5.763 15.071 ( -1.600 -3.164 1.979) 4.060 15.123 ( -1.909 -4.054 -3.610) 5.754 15.919 ( 3.023 -2.654 1.101) 4.170 16.030 ( -2.285 -2.453 -1.073) 3.519 ======================= Grid point 281 (131/168) ======================= q-point: (-0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -16.058 44.059 25.756) 53.502 2.910 ( 10.760 36.627 38.362) 54.120 3.201 ( 14.713 36.002 -28.602) 48.277 3.527 ( -16.047 42.481 -30.879) 54.914 3.907 ( 5.369 47.969 51.299) 70.438 4.752 ( 2.924 24.851 -8.074) 26.293 4.906 ( -8.930 20.856 -3.171) 22.908 5.105 ( 2.043 24.858 -40.490) 47.556 5.526 ( 0.743 30.677 17.742) 35.446 5.827 ( -0.230 33.229 -14.450) 36.236 6.243 ( -6.832 -14.960 11.383) 20.002 6.426 ( 8.670 -15.045 -6.682) 18.606 6.772 ( 4.948 -8.435 4.365) 10.709 6.868 ( -2.773 -7.707 -6.391) 10.389 7.419 ( -10.391 -20.147 -0.127) 22.670 7.544 ( 6.780 -12.576 -11.901) 18.595 7.921 ( -0.975 -4.144 10.677) 11.494 8.095 ( 2.341 -4.573 -5.228) 7.330 8.296 ( 8.220 -10.074 10.880) 16.954 8.428 ( -1.845 -7.249 -2.928) 8.032 8.755 ( 0.804 -6.870 7.302) 10.057 8.923 ( -5.130 -5.940 -7.726) 11.014 9.310 ( 4.124 -4.950 9.428) 11.419 9.465 ( -6.250 -1.247 -7.707) 10.001 9.753 ( -2.759 -2.042 1.441) 3.723 9.779 ( 5.730 -4.504 -0.456) 7.303 9.909 ( -7.619 -1.824 5.053) 9.323 9.999 ( 8.829 -4.120 -4.618) 10.782 10.176 ( 0.938 -4.797 4.613) 6.721 10.277 ( -4.565 -7.233 -5.777) 10.321 10.559 ( 5.617 -3.793 4.665) 8.227 10.639 ( -5.301 -1.686 -3.258) 6.446 10.969 ( -0.330 2.683 6.540) 7.077 11.067 ( -0.903 2.835 -4.008) 4.992 11.345 ( -2.772 -1.712 4.279) 5.378 11.461 ( 0.645 -2.308 -8.840) 9.159 12.131 ( -2.401 -0.464 0.366) 2.473 12.141 ( 2.638 1.163 -0.683) 2.963 12.328 ( -0.756 -4.408 1.309) 4.660 12.348 ( 4.987 -2.545 -1.192) 5.725 12.577 ( -0.063 -1.078 4.878) 4.996 12.641 ( -1.276 -4.722 -1.418) 5.092 12.696 ( 0.737 -7.339 4.314) 8.545 12.759 ( -1.343 -5.055 -0.669) 5.273 12.854 ( -2.178 2.479 0.541) 3.344 12.873 ( 1.383 -0.301 -2.497) 2.870 13.103 ( -1.006 3.511 4.311) 5.650 13.160 ( 2.381 1.841 -2.113) 3.677 13.206 ( -0.287 3.247 -1.937) 3.792 13.246 ( -0.851 4.880 -5.709) 7.558 13.571 ( -2.888 2.477 1.672) 4.156 13.580 ( 3.431 2.204 0.922) 4.181 13.931 ( 3.077 4.391 0.430) 5.379 13.964 ( -2.172 -2.450 -2.654) 4.215 14.534 ( 1.206 4.159 5.472) 6.978 14.637 ( -1.220 4.193 -5.629) 7.124 15.083 ( -0.106 -2.953 2.182) 3.673 15.133 ( -0.321 -3.350 -3.148) 4.608 15.987 ( 1.436 -2.495 1.521) 3.256 16.016 ( -1.265 -2.259 -1.510) 2.997 ======================= Grid point 282 (132/168) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 12.680 29.037 30.233) 43.795 2.894 ( 11.620 28.733 18.046) 35.865 3.032 ( 14.467 29.416 -6.277) 33.377 3.357 ( 28.436 32.459 -30.543) 52.868 3.928 ( 34.190 39.082 49.951) 72.052 4.644 ( 8.195 15.809 -0.577) 17.816 4.816 ( 17.571 16.468 -25.995) 35.435 5.094 ( 17.467 17.177 -19.097) 31.062 5.356 ( 9.804 25.854 8.973) 29.070 5.698 ( 15.636 28.684 -8.791) 33.831 6.242 ( -6.723 -13.828 6.542) 16.710 6.683 ( 3.951 -9.747 -2.104) 10.726 6.813 ( -6.162 -0.546 -3.518) 7.116 6.884 ( 1.191 -3.371 4.209) 5.523 7.423 ( -8.453 -21.655 -7.492) 24.424 7.793 ( 3.078 -14.344 -6.096) 15.887 7.852 ( -6.230 -2.837 -0.032) 6.846 8.166 ( -2.172 -8.226 -3.127) 9.065 8.378 ( -4.438 -5.460 -6.703) 9.718 8.588 ( 9.858 -4.265 7.550) 13.129 8.775 ( -5.487 -1.786 8.582) 10.342 8.898 ( -2.773 -8.826 -2.505) 9.585 9.212 ( -12.338 -5.111 3.362) 13.771 9.497 ( 3.057 1.037 5.409) 6.299 9.639 ( -8.842 -0.341 -0.339) 8.855 9.758 ( -9.451 -1.562 4.243) 10.477 9.871 ( 1.822 -2.377 -4.026) 5.018 10.171 ( -0.247 -2.224 4.142) 4.708 10.200 ( 4.762 -2.291 -5.577) 7.683 10.332 ( 3.631 0.136 2.320) 4.310 10.544 ( -4.621 -0.103 -2.076) 5.067 10.699 ( 4.103 -3.473 1.888) 5.698 10.914 ( -3.289 1.174 6.553) 7.426 11.010 ( -2.746 1.181 -1.916) 3.550 11.314 ( -1.197 -3.236 0.384) 3.472 11.462 ( -2.274 0.317 -3.412) 4.113 12.037 ( -6.004 0.177 -0.939) 6.079 12.185 ( 1.959 0.809 0.243) 2.133 12.263 ( -5.701 -0.601 -3.229) 6.580 12.482 ( 2.579 -2.798 -0.544) 3.844 12.524 ( -5.806 -2.764 6.743) 9.317 12.614 ( -3.258 -1.975 -3.252) 5.009 12.755 ( -0.077 -3.698 0.510) 3.734 12.795 ( -0.677 -2.039 -0.016) 2.149 12.861 ( 0.625 -5.212 2.442) 5.789 12.905 ( 3.521 1.293 -0.034) 3.751 13.057 ( -1.166 3.147 2.106) 3.962 13.159 ( -0.015 4.589 -1.909) 4.970 13.195 ( 0.930 5.550 -2.269) 6.068 13.210 ( 2.915 -0.194 -3.797) 4.791 13.488 ( -4.376 1.735 0.600) 4.746 13.587 ( -0.466 2.822 -0.388) 2.887 13.920 ( -2.624 -1.811 -2.471) 4.034 13.992 ( 3.597 2.783 0.589) 4.586 14.549 ( 3.972 2.662 6.014) 7.683 14.604 ( 2.200 2.913 -5.243) 6.388 15.119 ( 1.267 -2.420 2.509) 3.709 15.170 ( 1.611 -2.440 -3.384) 4.473 15.995 ( -1.490 -2.369 -1.694) 3.271 16.044 ( 1.097 -1.637 1.536) 2.498 ======================= Grid point 286 (133/168) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.761 ( 11.250 0.000 -6.448) 12.967 5.018 ( -5.193 -0.000 -11.485) 12.604 5.093 ( 4.220 0.000 -5.854) 7.216 5.377 ( -1.762 -0.000 -0.310) 1.789 5.516 ( -5.009 -0.000 -23.583) 24.109 5.574 ( 12.898 0.000 1.824) 13.026 5.581 ( 0.808 0.000 -5.318) 5.380 5.702 ( -18.693 -0.000 7.514) 20.147 5.949 ( -24.260 -0.000 -4.645) 24.701 6.285 ( 0.230 0.000 17.509) 17.510 6.447 ( -12.908 -0.000 5.639) 14.086 6.638 ( -14.274 -0.000 12.909) 19.245 6.758 ( 2.594 0.000 -8.501) 8.888 6.984 ( 2.478 0.000 20.934) 21.080 7.460 ( -4.966 -0.000 1.953) 5.336 7.646 ( 10.845 0.000 -2.928) 11.233 7.860 ( -2.174 -0.000 12.391) 12.580 7.908 ( 1.485 0.000 -6.219) 6.394 8.049 ( -11.934 -0.000 4.677) 12.817 8.285 ( 22.921 0.000 17.847) 29.050 8.385 ( 20.730 0.000 -10.884) 23.414 8.466 ( -6.139 -0.000 2.819) 6.756 9.026 ( 9.578 0.000 -4.353) 10.521 9.162 ( 7.683 0.000 -17.952) 19.527 9.547 ( 7.664 0.000 -15.080) 16.916 9.636 ( -10.483 -0.000 9.089) 13.874 9.987 ( 3.407 0.000 -4.351) 5.526 10.187 ( 10.752 0.000 -2.078) 10.951 10.410 ( 4.296 0.000 -4.002) 5.872 10.475 ( -5.066 -0.000 3.040) 5.908 10.535 ( -1.455 -0.000 3.666) 3.944 10.686 ( -0.111 -0.000 3.408) 3.410 10.778 ( -2.049 -0.000 -0.130) 2.053 10.892 ( -6.454 -0.000 0.276) 6.460 10.963 ( -8.011 -0.000 -1.815) 8.214 11.121 ( -0.999 -0.000 1.131) 1.509 11.640 ( -0.589 -0.000 7.787) 7.809 11.683 ( -1.713 -0.000 -5.253) 5.525 12.091 ( -0.793 -0.000 -1.912) 2.070 12.160 ( 2.162 0.000 -0.256) 2.177 12.383 ( -0.704 -0.000 0.424) 0.822 12.444 ( -6.160 -0.000 -2.305) 6.577 12.461 ( 1.060 0.000 2.893) 3.081 12.570 ( -1.423 -0.000 1.701) 2.218 12.633 ( 0.534 0.000 -4.163) 4.197 12.743 ( 1.881 0.000 3.949) 4.374 13.062 ( 2.418 0.000 -3.501) 4.254 13.139 ( 4.436 0.000 6.999) 8.286 13.254 ( 5.184 0.000 0.370) 5.197 13.486 ( 8.120 0.000 3.660) 8.906 13.490 ( 3.492 0.000 1.399) 3.762 13.661 ( 3.648 0.000 -7.531) 8.368 14.121 ( 2.477 0.000 -6.498) 6.954 14.236 ( -1.420 -0.000 7.107) 7.248 14.924 ( -3.085 -0.000 0.122) 3.088 15.036 ( -1.574 -0.000 -0.076) 1.576 15.162 ( -2.480 -0.000 5.056) 5.632 15.256 ( -2.359 -0.000 -8.244) 8.575 15.856 ( -7.905 -0.000 9.427) 12.303 16.084 ( -0.288 -0.000 -7.671) 7.677 ======================= Grid point 287 (134/168) ======================= q-point: (-0.64 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.794 ( -2.208 3.891 -5.477) 7.072 4.833 ( -16.306 4.064 -8.026) 18.623 4.989 ( -2.618 5.462 -15.822) 16.942 5.195 ( -9.648 0.961 -26.128) 27.869 5.250 ( -14.871 9.425 -0.184) 17.607 5.444 ( -14.130 -0.917 -5.535) 15.203 5.597 ( 0.193 -1.829 -2.990) 3.510 5.836 ( 2.042 -6.128 8.324) 10.536 5.989 ( -1.363 -5.281 13.751) 14.793 6.019 ( 2.261 -5.550 12.510) 13.872 6.444 ( 5.710 -5.107 18.160) 19.710 6.610 ( 2.949 2.779 -1.466) 4.309 6.744 ( -2.948 -6.446 -5.170) 8.773 7.081 ( 2.396 -5.056 21.832) 22.538 7.288 ( -9.001 4.271 5.756) 11.506 7.754 ( 1.374 3.678 -11.236) 11.902 7.830 ( -0.163 1.943 10.741) 10.917 7.921 ( 3.440 3.043 -1.087) 4.720 8.012 ( 5.955 -4.533 1.913) 7.725 8.266 ( -8.683 -0.640 -1.377) 8.814 8.634 ( 11.184 5.373 -3.174) 12.807 8.679 ( 11.064 0.467 9.074) 14.316 9.169 ( 4.265 4.280 -5.333) 8.059 9.228 ( 0.087 4.559 -10.455) 11.406 9.425 ( -6.573 5.474 0.532) 8.570 9.610 ( -3.961 -4.709 -12.505) 13.937 10.101 ( 4.519 1.272 2.979) 5.560 10.270 ( -1.848 2.415 0.987) 3.197 10.304 ( -2.958 4.794 -1.023) 5.725 10.482 ( -4.414 -5.334 -2.207) 7.267 10.498 ( -4.820 -3.054 -0.011) 5.706 10.650 ( -4.184 -0.275 2.273) 4.769 10.774 ( -1.404 -4.657 1.209) 5.012 10.826 ( 1.353 1.520 -2.382) 3.133 10.878 ( 2.632 -0.070 1.233) 2.907 11.092 ( -3.489 -4.787 -2.261) 6.340 11.659 ( 3.581 0.780 2.842) 4.638 11.684 ( 0.215 -2.664 -0.334) 2.693 12.098 ( 1.734 0.325 -0.634) 1.874 12.206 ( 2.213 -1.081 -1.295) 2.783 12.317 ( -4.931 2.460 0.102) 5.511 12.361 ( -0.931 0.802 -0.516) 1.333 12.512 ( 2.546 -0.478 3.619) 4.451 12.587 ( 3.302 -1.051 3.743) 5.101 12.659 ( 1.780 -0.319 -3.260) 3.728 12.828 ( 5.968 -0.845 1.272) 6.161 13.121 ( 4.598 0.582 -2.766) 5.397 13.232 ( 5.283 1.743 5.693) 7.960 13.351 ( 4.038 -0.216 -0.558) 4.082 13.495 ( -2.006 0.433 0.140) 2.057 13.633 ( 7.614 1.587 5.143) 9.324 13.749 ( 7.350 1.431 -7.185) 10.378 14.134 ( -1.426 -0.585 -5.413) 5.628 14.168 ( -6.066 0.999 5.667) 8.361 14.844 ( -5.128 -0.359 1.370) 5.320 14.970 ( -5.679 -0.330 0.351) 5.699 15.117 ( -2.689 -0.127 2.969) 4.008 15.200 ( -3.670 -0.162 -8.020) 8.821 15.734 ( -5.274 -1.096 8.416) 9.992 16.070 ( -1.231 -0.456 -6.053) 6.194 ======================= Grid point 288 (135/168) ======================= q-point: (-0.55 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( -9.952 17.425 -11.504) 23.130 4.641 ( -11.423 19.287 11.782) 25.324 4.755 ( -2.178 15.671 -11.493) 19.555 4.916 ( -10.603 14.854 -16.647) 24.702 5.105 ( -0.119 -0.759 -19.571) 19.586 5.327 ( -2.069 -14.514 -11.257) 18.484 5.651 ( -14.900 -11.559 20.225) 27.653 5.740 ( 1.509 -13.663 -1.366) 13.814 5.972 ( 1.821 -6.799 15.083) 16.644 6.351 ( -12.386 4.355 1.084) 13.174 6.455 ( 14.510 -5.191 5.071) 16.224 6.667 ( 3.220 -3.539 8.238) 9.527 6.849 ( 2.402 3.240 7.085) 8.153 7.078 ( 4.002 5.824 -3.831) 8.038 7.241 ( -0.931 -10.962 19.734) 22.593 7.713 ( 3.582 6.816 -2.435) 8.076 7.869 ( 2.666 4.847 1.131) 5.646 7.899 ( -2.840 6.602 -3.167) 7.854 8.108 ( -5.272 1.407 -2.922) 6.190 8.227 ( 8.660 -5.651 -2.756) 10.702 8.661 ( -5.631 10.721 0.849) 12.140 8.762 ( 4.515 5.556 1.520) 7.319 8.961 ( -8.500 9.144 -3.840) 13.061 9.214 ( -0.829 1.961 -1.176) 2.432 9.341 ( -2.316 -0.038 -1.648) 2.843 9.513 ( -9.656 -5.036 -5.585) 12.239 9.974 ( -7.366 2.421 -0.633) 7.779 10.148 ( -6.815 2.557 -3.065) 7.898 10.330 ( -4.779 -6.525 1.382) 8.205 10.392 ( -12.008 -8.852 -1.100) 14.958 10.485 ( -10.741 2.324 2.947) 11.378 10.549 ( 9.552 -4.472 0.453) 10.556 10.753 ( -0.610 -1.566 1.791) 2.456 10.920 ( 5.837 2.176 -2.264) 6.628 11.045 ( 7.583 -5.823 -3.799) 10.288 11.108 ( 1.461 -6.663 -0.772) 6.865 11.731 ( 2.047 -3.437 0.245) 4.008 11.761 ( 6.634 -2.001 1.781) 7.155 12.124 ( 0.092 -0.163 1.078) 1.095 12.234 ( 1.650 4.072 -0.524) 4.425 12.278 ( 1.952 -3.253 -0.126) 3.796 12.357 ( 0.765 -0.444 -0.757) 1.164 12.552 ( 1.559 -0.637 2.452) 2.975 12.683 ( 4.726 -0.286 2.815) 5.509 12.698 ( 2.699 -0.724 -0.329) 2.814 12.950 ( 6.489 -0.167 0.170) 6.494 13.197 ( 3.921 1.818 -2.730) 5.112 13.265 ( 0.764 4.646 2.995) 5.580 13.371 ( -0.754 0.594 0.088) 0.964 13.451 ( -3.019 -0.816 -1.404) 3.428 13.724 ( 4.906 3.797 5.638) 8.383 13.884 ( 8.488 3.477 -6.631) 11.319 13.999 ( -9.881 2.445 5.080) 11.376 14.089 ( -3.255 -0.735 -3.601) 4.909 14.757 ( -4.612 0.708 2.020) 5.085 14.863 ( -5.847 -1.414 0.164) 6.018 15.069 ( -3.230 -1.147 2.063) 4.001 15.124 ( -4.575 -0.964 -5.700) 7.372 15.712 ( 0.665 -2.641 4.621) 5.364 16.046 ( -1.941 -1.071 -3.961) 4.539 ======================= Grid point 289 (136/168) ======================= q-point: (-0.45 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( -3.180 30.334 -10.669) 32.312 4.187 ( -11.543 28.442 21.403) 37.420 4.453 ( -4.815 35.456 9.984) 37.148 4.688 ( -3.349 9.376 -42.886) 44.027 5.196 ( 6.834 -3.915 -18.079) 19.720 5.532 ( -4.803 -11.859 17.193) 21.431 5.615 ( 8.043 -18.889 -1.730) 20.603 5.792 ( -7.250 -4.069 0.826) 8.354 6.078 ( -10.645 6.162 -3.540) 12.800 6.098 ( 6.711 -3.365 11.957) 14.119 6.503 ( -8.395 15.590 14.580) 22.937 6.657 ( -2.178 3.707 13.975) 14.622 6.846 ( 0.680 -1.220 -5.156) 5.342 7.005 ( -8.712 11.661 1.169) 14.603 7.456 ( 9.382 6.842 -7.061) 13.590 7.526 ( -3.999 0.816 0.090) 4.082 7.699 ( -10.463 14.929 -6.237) 19.268 7.892 ( -1.468 3.998 -4.889) 6.484 8.146 ( 5.513 -6.240 1.943) 8.550 8.317 ( -7.666 0.382 7.423) 10.678 8.402 ( 4.291 6.541 5.467) 9.544 8.781 ( 0.860 6.743 -1.609) 6.985 8.844 ( 0.725 -4.357 -6.234) 7.640 9.206 ( -5.201 -3.997 2.360) 6.971 9.314 ( 0.582 -11.178 -2.059) 11.381 9.490 ( 3.221 -4.403 -0.308) 5.464 9.875 ( -6.126 -3.558 -3.507) 7.905 10.005 ( -8.577 -4.734 -1.769) 9.955 10.217 ( -12.000 -6.172 0.899) 13.524 10.304 ( -10.341 -5.169 0.030) 11.561 10.319 ( -3.113 -6.041 3.036) 7.443 10.687 ( -3.598 -7.517 -1.408) 8.452 10.821 ( 9.183 1.215 4.243) 10.188 11.013 ( 5.926 -0.090 -9.236) 10.974 11.141 ( 2.494 -2.773 2.093) 4.277 11.271 ( 5.429 -6.100 -2.361) 8.501 11.819 ( 3.582 -5.215 2.782) 6.911 11.929 ( 7.618 -5.361 0.921) 9.361 12.109 ( -0.358 1.186 0.986) 1.583 12.258 ( 2.994 1.155 2.612) 4.138 12.352 ( 2.223 -2.220 -2.015) 3.732 12.406 ( 2.282 -4.836 -0.606) 5.382 12.580 ( 0.603 -0.743 2.211) 2.410 12.721 ( 0.644 -0.364 -1.549) 1.716 12.790 ( 5.473 0.899 2.470) 6.071 13.046 ( 3.410 1.223 -0.499) 3.657 13.180 ( -0.118 5.117 -3.671) 6.299 13.235 ( -1.471 1.167 5.324) 5.646 13.352 ( -0.310 1.130 -2.269) 2.554 13.381 ( -4.283 1.225 -2.031) 4.896 13.736 ( -1.315 4.775 2.942) 5.760 13.792 ( -6.284 3.364 3.027) 7.744 13.939 ( 0.752 4.047 -1.729) 4.464 14.092 ( 2.573 -0.262 -2.159) 3.369 14.672 ( -2.665 2.316 2.240) 4.182 14.792 ( -2.988 0.238 -1.129) 3.203 15.028 ( -2.841 -2.620 1.133) 4.027 15.065 ( -3.633 -3.078 -2.741) 5.494 15.783 ( 3.593 -2.805 1.324) 4.746 16.017 ( -2.449 -1.660 -1.995) 3.568 ======================= Grid point 290 (137/168) ======================= q-point: (-0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( -9.177 28.186 30.710) 42.682 3.911 ( 6.876 41.868 3.209) 42.550 4.066 ( -1.917 35.444 -6.083) 36.014 4.508 ( -3.580 17.298 -41.564) 45.162 5.309 ( 4.466 11.854 -2.477) 12.907 5.439 ( -5.479 18.723 20.964) 28.637 5.584 ( -10.701 17.572 5.398) 21.271 5.824 ( 2.277 2.631 -2.483) 4.274 5.940 ( -5.270 -1.796 6.010) 8.192 6.137 ( -2.571 10.071 -13.005) 16.648 6.270 ( 2.007 -4.899 1.448) 5.488 6.462 ( -8.826 17.330 7.945) 21.009 6.639 ( -1.748 10.891 -3.642) 11.616 6.825 ( -5.029 13.632 0.745) 14.549 7.279 ( -15.962 5.758 0.095) 16.969 7.352 ( -5.223 -6.488 -16.927) 18.865 7.771 ( -0.834 -2.371 4.600) 5.241 7.815 ( 4.479 -3.609 -9.443) 11.056 8.159 ( 5.197 -0.311 5.231) 7.381 8.263 ( -0.063 4.141 12.932) 13.579 8.690 ( 1.852 -2.131 3.771) 4.711 8.729 ( 10.085 -12.636 4.714) 16.841 8.923 ( -1.214 -4.952 -7.721) 9.253 9.294 ( 9.013 -14.972 -3.932) 17.912 9.431 ( -3.428 -11.301 -0.363) 11.815 9.637 ( 5.941 -5.461 0.872) 8.116 9.793 ( -3.793 -3.334 -2.678) 5.716 9.926 ( -8.289 -9.779 1.655) 12.925 10.095 ( -6.986 -6.358 1.032) 9.502 10.175 ( -9.960 -8.790 -3.671) 13.782 10.372 ( 3.515 -3.895 5.653) 7.712 10.647 ( -6.004 -5.845 -1.873) 8.587 10.960 ( 5.220 -0.550 4.537) 6.938 11.102 ( 2.931 -0.061 -8.652) 9.135 11.229 ( 5.099 -2.313 0.209) 5.604 11.366 ( -0.531 -5.262 -1.537) 5.507 11.956 ( 5.036 -7.756 1.860) 9.432 12.076 ( -1.210 -7.017 3.882) 8.110 12.139 ( 7.813 1.091 0.027) 7.889 12.300 ( 1.575 1.207 1.220) 2.329 12.405 ( 0.698 -6.098 2.128) 6.496 12.498 ( 1.400 -6.569 -1.879) 6.974 12.590 ( 0.022 -0.818 2.310) 2.450 12.714 ( -2.195 -1.353 -1.690) 3.083 12.866 ( 4.356 2.805 -0.178) 5.184 13.010 ( -2.803 4.505 -1.867) 5.624 13.178 ( 0.260 1.381 3.584) 3.849 13.204 ( 1.703 2.536 0.921) 3.190 13.288 ( -3.603 1.735 -2.325) 4.626 13.330 ( -1.015 1.426 -4.401) 4.737 13.626 ( -2.478 3.166 2.022) 4.501 13.714 ( -2.598 3.097 1.365) 4.267 13.930 ( 1.926 2.657 2.635) 4.209 14.098 ( -0.327 4.501 -3.924) 5.980 14.629 ( 0.170 3.345 3.785) 5.054 14.746 ( -0.859 2.212 -3.653) 4.356 15.013 ( -1.854 -3.258 1.766) 4.144 15.046 ( -2.050 -4.435 -2.494) 5.486 15.874 ( 3.536 -2.417 0.248) 4.290 15.987 ( -2.552 -2.269 -0.888) 3.528 ======================= Grid point 291 (138/168) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -3.960 29.376 35.047) 45.901 3.521 ( -8.177 40.356 24.204) 47.763 3.865 ( 13.650 36.797 -22.600) 45.289 4.168 ( -9.754 29.957 -34.521) 46.736 4.917 ( 7.489 61.179 30.144) 68.612 5.242 ( 1.649 25.231 8.159) 26.569 5.277 ( -5.869 18.320 -0.338) 19.241 5.637 ( -4.712 31.706 -32.342) 45.535 5.880 ( -1.277 1.264 4.971) 5.286 6.076 ( 11.400 -9.263 -9.889) 17.707 6.228 ( -5.133 20.021 15.183) 25.646 6.494 ( 1.782 16.230 -8.133) 18.241 6.591 ( 4.685 0.146 -1.813) 5.026 6.664 ( 3.335 -11.213 -10.742) 15.883 7.098 ( -8.605 -12.519 11.126) 18.830 7.357 ( -0.088 -8.373 -15.132) 17.294 7.781 ( -4.973 -11.263 9.662) 15.651 7.935 ( 1.026 -11.140 -5.659) 12.537 8.212 ( 1.970 0.335 12.019) 12.184 8.392 ( 11.025 2.097 -3.230) 11.679 8.650 ( -2.959 -4.598 5.163) 7.520 8.823 ( -3.584 -4.928 -8.418) 10.392 9.165 ( 4.726 -12.438 11.726) 17.735 9.378 ( -5.113 -9.299 -10.302) 14.790 9.630 ( -0.007 -10.077 1.834) 10.242 9.655 ( 0.092 -9.917 -1.911) 10.100 9.861 ( -5.093 -3.741 2.743) 6.889 9.911 ( 8.506 -5.956 -2.424) 10.663 10.080 ( -1.379 -6.742 2.031) 7.175 10.126 ( -2.621 -8.934 -2.599) 9.666 10.487 ( 4.159 -4.346 6.739) 9.033 10.593 ( -4.261 -3.902 -3.011) 6.515 11.004 ( -0.380 0.773 5.606) 5.672 11.111 ( -1.078 1.626 -5.894) 6.209 11.309 ( -2.234 -2.202 3.250) 4.517 11.386 ( 1.025 -5.484 -5.164) 7.602 12.087 ( -2.288 -5.341 1.836) 6.094 12.116 ( 3.725 -5.213 -1.255) 6.529 12.261 ( 3.583 -1.408 1.505) 4.133 12.293 ( -0.975 -2.343 -1.890) 3.164 12.477 ( -3.391 -9.318 7.575) 12.478 12.563 ( 3.234 -3.559 0.910) 4.895 12.622 ( 1.365 -3.490 0.330) 3.762 12.672 ( -3.316 -1.878 -2.966) 4.830 12.898 ( 2.176 2.796 -0.015) 3.543 12.915 ( -2.777 4.298 -1.106) 5.235 13.158 ( -0.129 2.768 3.736) 4.652 13.209 ( 1.354 3.274 -1.103) 3.710 13.245 ( -0.355 1.368 -1.414) 2.000 13.298 ( -0.430 1.454 -5.299) 5.512 13.608 ( -0.175 1.564 3.065) 3.445 13.642 ( 0.292 3.715 0.197) 3.732 13.942 ( -0.724 0.472 3.389) 3.497 14.035 ( 1.432 6.864 -6.050) 9.261 14.609 ( 1.082 4.090 5.027) 6.570 14.705 ( -1.036 3.398 -5.302) 6.382 15.024 ( -0.267 -3.622 1.963) 4.128 15.065 ( -0.005 -4.215 -2.380) 4.840 15.942 ( 0.703 -2.501 1.430) 2.965 15.972 ( -0.701 -2.614 -1.734) 3.214 ======================= Grid point 292 (139/168) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -3.448 41.909 21.901) 47.412 3.319 ( 7.681 20.349 47.563) 52.300 3.638 ( 0.653 38.907 -25.666) 46.614 3.907 ( 14.271 28.253 -29.059) 42.969 4.787 ( 30.140 51.380 26.196) 65.074 4.989 ( 1.305 22.586 8.337) 24.111 5.200 ( 16.846 24.744 -7.714) 30.912 5.456 ( 10.148 23.264 -23.481) 34.577 5.843 ( 7.316 18.259 3.342) 19.952 6.044 ( -1.070 5.642 4.678) 7.407 6.235 ( 10.771 21.136 -11.738) 26.467 6.476 ( 5.471 -9.261 -1.709) 10.891 6.752 ( 0.238 -8.313 -5.533) 9.988 6.790 ( 3.997 -5.738 -9.239) 11.587 7.085 ( -6.311 -11.922 11.205) 17.536 7.521 ( 5.139 -14.650 -5.970) 16.634 7.771 ( -6.353 -7.754 6.754) 12.087 7.963 ( -6.558 -10.574 -1.335) 12.514 8.303 ( 3.032 -5.467 -1.595) 6.452 8.512 ( 3.168 -2.874 -9.829) 10.720 8.714 ( 4.481 -4.637 16.889) 18.078 8.799 ( -3.422 -1.709 -8.138) 8.992 9.088 ( -15.201 -9.381 0.795) 17.880 9.500 ( -4.782 -3.725 3.934) 7.226 9.508 ( -3.123 -10.478 1.324) 11.014 9.733 ( -7.263 -2.286 -1.412) 7.744 9.830 ( -0.177 -3.363 -1.007) 3.515 10.094 ( 0.600 -6.692 2.736) 7.254 10.160 ( 8.372 -1.924 -1.497) 8.719 10.274 ( 8.933 -7.057 0.963) 11.425 10.528 ( -4.356 -2.491 -2.960) 5.826 10.626 ( 4.998 -4.016 4.375) 7.762 10.949 ( -4.501 2.229 5.997) 7.823 11.029 ( -5.268 1.084 -2.523) 5.941 11.263 ( -2.390 -2.293 0.495) 3.349 11.436 ( -1.683 -3.495 -2.751) 4.755 12.045 ( -5.510 0.127 0.104) 5.513 12.149 ( -2.392 -4.379 -1.033) 5.096 12.267 ( -2.521 0.750 -2.905) 3.919 12.359 ( -2.137 -10.179 0.137) 10.402 12.463 ( -1.665 -3.997 4.288) 6.094 12.612 ( -1.580 1.148 -0.326) 1.980 12.657 ( -2.692 -7.833 -1.189) 8.368 12.711 ( 3.249 -5.066 4.052) 7.255 12.844 ( -1.183 2.190 -1.696) 3.012 12.923 ( 3.071 1.256 0.534) 3.360 13.122 ( -1.816 4.401 2.171) 5.233 13.205 ( 1.391 1.263 -2.134) 2.843 13.221 ( -0.313 2.125 1.819) 2.815 13.291 ( 1.840 3.751 -5.466) 6.880 13.549 ( -1.003 4.412 1.770) 4.859 13.658 ( 1.545 4.511 0.484) 4.792 13.896 ( -2.131 -0.244 -1.647) 2.704 14.051 ( 3.610 3.822 -1.946) 5.606 14.604 ( 2.130 3.251 5.222) 6.510 14.661 ( 0.762 3.474 -4.934) 6.082 15.065 ( 1.112 -3.546 2.364) 4.404 15.117 ( 2.017 -3.434 -2.932) 4.945 15.944 ( -1.668 -3.205 -1.318) 3.846 16.009 ( 1.114 -2.184 1.043) 2.664 ======================= Grid point 293 (140/168) ======================= q-point: (-0.09 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 32.488 17.960 23.410) 43.887 3.344 ( 16.105 19.948 18.799) 31.791 3.582 ( 21.741 20.430 0.276) 29.835 3.965 ( 15.675 19.814 -30.918) 39.928 4.924 ( 12.590 8.181 5.402) 15.957 5.121 ( 43.409 41.424 22.032) 63.919 5.437 ( 23.845 10.044 1.769) 25.935 5.527 ( 20.583 20.785 -13.231) 32.105 5.920 ( 22.885 23.804 -5.979) 33.558 6.061 ( 3.190 -3.358 -1.508) 4.871 6.289 ( 15.756 19.444 -5.939) 25.721 6.551 ( -6.402 -8.850 -5.310) 12.145 6.717 ( -8.001 -0.457 -1.407) 8.136 6.903 ( 2.577 -1.791 2.089) 3.770 7.118 ( -2.132 -13.013 1.571) 13.280 7.573 ( -8.728 -6.786 -3.507) 11.598 7.828 ( 2.463 -8.760 -7.167) 11.583 7.957 ( -5.919 -13.999 5.451) 16.147 8.326 ( -1.157 2.625 -12.078) 12.414 8.539 ( -8.947 -4.436 3.049) 10.441 8.709 ( -6.750 -4.438 -6.767) 10.538 8.814 ( -3.300 -3.370 8.466) 9.691 8.941 ( -3.825 -8.541 0.751) 9.389 9.373 ( -9.242 -4.636 6.462) 12.193 9.535 ( -5.393 -3.728 8.751) 10.935 9.627 ( -4.162 -1.304 -4.799) 6.485 9.850 ( 1.078 -1.857 -1.870) 2.847 10.130 ( 0.128 -2.420 4.938) 5.501 10.290 ( 1.707 0.557 0.421) 1.844 10.388 ( 1.053 2.822 -0.199) 3.019 10.554 ( 6.673 -1.573 -1.759) 7.078 10.711 ( -0.852 -0.726 5.389) 5.504 10.838 ( -3.530 -1.500 -1.466) 4.106 10.957 ( -2.380 -1.044 0.288) 2.615 11.272 ( -0.605 -3.405 -3.369) 4.827 11.376 ( -6.536 -0.968 1.699) 6.822 11.912 ( -8.004 0.092 -0.711) 8.036 12.115 ( -6.278 -3.920 -0.268) 7.406 12.205 ( -2.076 0.335 -2.938) 3.613 12.336 ( -6.406 -5.614 4.075) 9.443 12.483 ( -1.863 -2.527 1.331) 3.410 12.554 ( -3.013 0.712 -0.237) 3.105 12.696 ( -1.429 -7.665 -1.044) 7.867 12.756 ( -0.845 -3.731 -0.287) 3.836 12.835 ( 0.072 -0.868 -0.874) 1.234 12.972 ( -0.198 2.466 0.371) 2.501 13.014 ( -3.938 -0.016 -0.599) 3.983 13.203 ( 0.320 2.086 3.951) 4.479 13.235 ( 1.677 1.250 -1.638) 2.656 13.284 ( 2.598 6.002 -2.944) 7.173 13.501 ( 1.228 7.353 0.637) 7.482 13.598 ( -2.755 5.791 -0.896) 6.475 13.879 ( 0.291 0.647 -3.497) 3.568 14.061 ( 0.644 1.898 1.916) 2.772 14.647 ( 4.785 1.021 4.449) 6.613 14.704 ( 6.663 1.996 -2.991) 7.571 15.125 ( 1.937 -3.241 2.460) 4.506 15.189 ( 2.772 -2.615 -4.006) 5.529 15.955 ( 0.003 -3.077 -3.705) 4.816 16.041 ( 0.370 -2.039 3.384) 3.968 ======================= Grid point 298 (141/168) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.715 ( 1.250 0.000 -9.369) 9.452 4.784 ( 0.960 0.000 -11.643) 11.683 4.907 ( -7.398 -0.000 -6.786) 10.038 5.040 ( -6.585 -0.000 -29.935) 30.651 5.107 ( -6.162 -0.000 -21.086) 21.968 5.325 ( -0.857 -0.000 12.279) 12.309 5.464 ( -12.731 -0.000 10.974) 16.807 5.543 ( -18.139 -0.000 14.282) 23.087 5.910 ( 7.968 0.000 16.449) 18.278 6.352 ( 6.132 0.000 6.909) 9.238 6.448 ( 6.725 0.000 3.911) 7.779 6.593 ( -4.085 -0.000 -6.156) 7.389 6.986 ( 25.639 0.000 9.446) 27.323 7.002 ( -8.162 -0.000 19.527) 21.164 7.180 ( -4.014 -0.000 4.997) 6.410 7.775 ( 0.087 0.000 1.104) 1.107 7.921 ( 5.116 0.000 -0.843) 5.185 7.970 ( 0.528 0.000 -1.985) 2.054 8.129 ( -6.536 -0.000 -8.830) 10.986 8.149 ( 11.158 0.000 -2.178) 11.368 8.771 ( 1.922 0.000 0.287) 1.943 8.799 ( 1.483 0.000 6.981) 7.137 9.104 ( -11.675 -0.000 -3.064) 12.070 9.217 ( -4.427 -0.000 -6.582) 7.932 9.343 ( -7.294 -0.000 -2.305) 7.650 9.448 ( -7.271 -0.000 -7.683) 10.578 10.021 ( -11.707 -0.000 0.724) 11.730 10.197 ( -12.405 -0.000 -2.535) 12.661 10.232 ( -6.181 -0.000 1.520) 6.365 10.279 ( -9.532 -0.000 -0.624) 9.552 10.503 ( 8.200 0.000 -1.304) 8.303 10.519 ( -11.172 -0.000 2.312) 11.409 10.743 ( 0.427 0.000 5.460) 5.477 10.972 ( 7.226 0.000 5.348) 8.989 10.982 ( 7.617 0.000 -5.597) 9.452 11.017 ( 2.131 0.000 -5.772) 6.153 11.691 ( 2.656 0.000 -6.371) 6.902 11.747 ( 4.572 0.000 6.575) 8.008 12.130 ( 1.051 0.000 0.609) 1.215 12.239 ( 2.105 0.000 0.666) 2.208 12.279 ( 0.362 0.000 -0.383) 0.527 12.356 ( -0.199 -0.000 -1.430) 1.444 12.546 ( 1.481 0.000 3.076) 3.414 12.677 ( 6.528 0.000 5.176) 8.331 12.695 ( 1.993 0.000 -2.994) 3.596 12.947 ( 6.886 0.000 0.505) 6.904 13.212 ( 4.436 0.000 -1.009) 4.549 13.324 ( 2.797 0.000 4.384) 5.200 13.363 ( -4.021 -0.000 -3.145) 5.105 13.441 ( -1.735 -0.000 -0.799) 1.910 13.759 ( 4.810 0.000 6.081) 7.753 13.913 ( 9.660 0.000 -6.957) 11.904 14.022 ( -10.322 -0.000 4.636) 11.315 14.082 ( -3.896 -0.000 -3.722) 5.388 14.766 ( -3.028 -0.000 1.779) 3.512 14.846 ( -6.616 -0.000 0.619) 6.645 15.059 ( -3.509 -0.000 1.895) 3.988 15.117 ( -5.187 -0.000 -5.592) 7.627 15.688 ( 0.756 0.000 4.594) 4.656 16.036 ( -1.990 -0.000 -4.020) 4.485 ======================= Grid point 300 (142/168) ======================= q-point: (-0.55 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.626 ( -9.114 20.798 13.308) 26.320 4.691 ( 6.826 25.089 -10.718) 28.124 4.850 ( -0.051 9.720 -36.402) 37.677 4.976 ( 1.396 9.388 -9.907) 13.720 5.130 ( 2.158 4.114 -4.036) 6.153 5.226 ( 4.094 -13.188 -10.659) 17.444 5.258 ( -10.389 -18.139 19.428) 28.537 5.558 ( -0.988 -20.468 5.099) 21.116 6.061 ( 6.154 -0.373 16.922) 18.010 6.252 ( -4.614 8.997 2.766) 10.482 6.653 ( 9.558 -0.826 1.974) 9.795 6.677 ( 8.483 -3.476 2.682) 9.551 6.811 ( -7.847 4.942 12.228) 15.346 7.112 ( -3.441 0.680 12.470) 12.954 7.480 ( 22.457 0.123 0.462) 22.462 7.686 ( -11.888 7.490 2.289) 14.236 7.902 ( -4.479 7.042 -3.636) 9.103 7.974 ( 0.979 5.410 -10.896) 12.205 8.033 ( 1.047 -6.535 3.756) 7.610 8.352 ( 4.909 1.793 -9.728) 11.043 8.598 ( -9.462 13.338 2.823) 16.596 8.790 ( -5.710 -4.309 -3.381) 7.912 8.912 ( -3.477 7.386 -1.367) 8.277 9.094 ( -10.696 -11.452 -4.649) 16.345 9.179 ( -6.000 0.385 0.443) 6.029 9.418 ( 1.421 -3.313 1.302) 3.833 9.808 ( -10.640 -3.397 -1.100) 11.223 9.941 ( -13.940 0.509 -2.420) 14.158 10.052 ( -13.700 -9.619 -2.545) 16.933 10.243 ( -4.074 -1.839 1.149) 4.615 10.291 ( -8.393 0.883 4.144) 9.402 10.562 ( -3.882 -5.131 2.108) 6.771 10.840 ( 8.396 0.779 4.680) 9.644 10.993 ( 1.511 -1.581 -7.575) 7.884 11.108 ( 5.982 -0.805 3.543) 6.999 11.194 ( 7.679 -2.142 -2.780) 8.443 11.760 ( 3.784 -1.592 -3.321) 5.280 11.839 ( 4.092 -3.219 3.223) 6.123 12.138 ( 1.145 1.422 0.657) 1.940 12.280 ( 1.404 -0.397 3.029) 3.362 12.321 ( 3.787 0.184 -1.987) 4.281 12.358 ( 0.032 -1.284 -1.214) 1.768 12.568 ( 0.685 -0.386 3.289) 3.381 12.717 ( 0.309 -0.039 -2.475) 2.494 12.807 ( 7.436 0.677 3.318) 8.171 13.059 ( 4.930 0.268 -0.016) 4.937 13.245 ( -0.942 1.598 -0.178) 1.864 13.258 ( -3.753 1.458 -0.129) 4.028 13.349 ( -0.302 -0.736 -1.392) 1.603 13.403 ( -2.828 0.867 -0.957) 3.109 13.801 ( -1.474 2.324 2.550) 3.751 13.824 ( -8.590 0.467 3.530) 9.299 13.996 ( -2.163 1.967 2.103) 3.601 14.084 ( 7.198 -0.514 -6.335) 9.603 14.717 ( -1.477 2.601 1.567) 3.377 14.776 ( -1.910 -1.858 -0.559) 2.722 14.998 ( -3.408 -0.667 1.274) 3.699 15.026 ( -4.653 -1.307 -2.117) 5.277 15.746 ( 4.273 -1.122 0.766) 4.483 15.997 ( -2.535 -0.587 -1.992) 3.277 ======================= Grid point 301 (143/168) ======================= q-point: (-0.45 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( -9.335 27.860 24.638) 38.346 4.558 ( 5.711 27.405 -18.152) 33.364 4.626 ( -3.880 29.091 2.117) 29.425 4.848 ( 3.581 21.475 -25.367) 33.429 5.199 ( -3.718 -16.769 13.040) 21.565 5.298 ( 1.987 -15.728 -11.774) 19.747 5.693 ( 13.504 -21.306 -6.529) 26.056 5.719 ( 5.419 -8.752 -1.160) 10.359 6.073 ( 3.249 10.682 3.702) 11.763 6.194 ( 3.143 2.895 7.686) 8.794 6.511 ( -9.507 27.860 20.981) 36.149 6.738 ( 3.302 8.679 8.023) 12.272 6.939 ( 9.562 1.190 6.331) 11.529 6.987 ( -3.016 15.332 -4.360) 16.223 7.273 ( -17.005 5.485 -5.508) 18.697 7.529 ( -10.212 11.480 -4.505) 16.011 7.819 ( -13.321 10.513 -6.328) 18.112 7.854 ( 1.495 8.006 -9.337) 12.390 8.151 ( 9.209 0.346 -5.032) 10.500 8.323 ( 5.322 -12.323 12.371) 18.254 8.515 ( 1.644 3.278 6.246) 7.244 8.746 ( -3.017 4.418 -1.704) 5.615 8.856 ( 0.024 -3.479 -5.720) 6.694 8.983 ( -5.863 -17.267 -8.999) 20.335 9.259 ( 3.478 -7.359 3.065) 8.697 9.504 ( -0.969 -9.393 1.442) 9.553 9.724 ( -5.047 -4.328 -3.537) 7.531 9.748 ( -4.976 -7.645 1.422) 9.232 9.922 ( -10.363 -11.880 -1.805) 15.868 10.059 ( -11.608 -4.694 1.088) 12.568 10.322 ( 4.056 -1.489 3.205) 5.380 10.517 ( -6.725 -7.819 3.294) 10.827 10.950 ( 4.240 0.217 4.071) 5.882 11.065 ( 2.329 -3.688 -6.674) 7.973 11.210 ( 5.032 -0.328 0.590) 5.077 11.294 ( 1.201 -2.407 -0.662) 2.770 11.851 ( 4.102 -3.589 0.708) 5.496 11.939 ( 0.821 -6.793 1.482) 7.001 12.171 ( 4.388 1.408 -0.319) 4.619 12.306 ( 1.087 -1.359 5.116) 5.404 12.341 ( -1.810 -0.674 -1.583) 2.498 12.407 ( 2.191 -3.121 -3.018) 4.863 12.581 ( 0.353 -0.331 3.859) 3.890 12.704 ( -1.647 -0.094 -2.354) 2.874 12.918 ( 5.733 2.635 0.808) 6.361 13.082 ( -1.201 3.177 -2.427) 4.174 13.201 ( -1.140 1.045 4.760) 5.004 13.224 ( 0.963 0.128 -0.127) 0.980 13.320 ( -2.987 1.685 -2.681) 4.353 13.346 ( -1.706 0.358 -3.483) 3.895 13.664 ( -4.739 1.230 3.188) 5.843 13.748 ( -3.962 1.020 -1.951) 4.533 13.981 ( 1.655 2.614 9.234) 9.739 14.171 ( 3.387 3.296 -7.988) 9.281 14.684 ( 0.462 2.943 2.375) 3.810 14.768 ( -0.397 0.076 -2.439) 2.472 14.962 ( -1.826 -2.288 0.889) 3.059 14.978 ( -2.577 -2.868 -0.610) 3.904 15.838 ( 4.161 -1.454 -0.644) 4.455 15.955 ( -2.857 -1.311 -0.625) 3.205 ======================= Grid point 302 (144/168) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( -4.104 26.469 33.683) 43.035 4.212 ( -10.609 34.929 9.311) 37.674 4.446 ( 8.725 28.490 -18.144) 34.886 4.660 ( -0.950 27.469 -28.903) 39.886 5.234 ( -9.427 -16.990 17.410) 26.089 5.508 ( 8.231 -2.480 -8.866) 12.349 5.786 ( 0.585 1.775 2.429) 3.065 5.887 ( 1.666 2.274 -7.993) 8.476 5.984 ( -5.208 39.443 21.322) 45.138 6.244 ( 2.679 0.537 7.555) 8.034 6.317 ( 16.975 -6.441 -13.132) 22.407 6.525 ( -5.125 36.130 -19.968) 41.597 6.770 ( 0.005 20.128 15.397) 25.342 6.888 ( 0.747 3.500 4.657) 5.873 7.190 ( -6.653 14.176 -8.994) 18.059 7.257 ( 2.418 4.776 -10.852) 12.101 7.605 ( -3.359 -5.841 10.622) 12.579 7.797 ( -1.864 -3.296 -8.750) 9.534 8.251 ( -5.641 2.352 9.612) 11.390 8.443 ( 15.364 2.046 -6.244) 16.710 8.622 ( -2.542 2.414 4.394) 5.621 8.764 ( -2.370 -1.096 -6.656) 7.150 8.859 ( 5.529 -20.797 11.924) 24.602 9.118 ( -7.073 -20.239 -14.473) 25.867 9.445 ( 11.439 -10.298 1.290) 15.446 9.458 ( -9.664 -10.030 0.072) 13.929 9.772 ( -4.458 -6.475 1.413) 7.987 9.798 ( 5.222 -6.708 -1.215) 8.587 9.922 ( -2.874 -9.466 2.871) 10.301 9.978 ( 0.799 -9.172 -2.950) 9.667 10.405 ( -0.136 -4.898 7.357) 8.840 10.498 ( -0.419 -6.231 -0.623) 6.276 10.994 ( -0.610 -1.319 5.508) 5.696 11.107 ( -0.258 -2.093 -6.534) 6.866 11.281 ( -0.557 -0.770 0.643) 1.147 11.303 ( 0.128 -3.150 -1.097) 3.338 11.965 ( -0.973 -7.226 2.181) 7.611 11.988 ( 2.351 -7.323 -0.554) 7.711 12.256 ( 3.053 -0.353 1.280) 3.330 12.275 ( -4.832 -1.121 -0.258) 4.967 12.356 ( 0.989 -3.305 5.270) 6.298 12.462 ( 0.201 -5.246 -4.629) 6.999 12.599 ( 1.503 -0.322 4.486) 4.742 12.668 ( -1.762 0.334 -2.850) 3.367 12.958 ( 2.044 3.662 1.355) 4.407 12.999 ( -3.017 4.851 -2.442) 6.213 13.199 ( 1.539 1.652 3.685) 4.322 13.250 ( 1.414 0.609 1.245) 1.980 13.269 ( -0.102 2.030 -3.855) 4.358 13.309 ( -1.584 0.090 -4.521) 4.791 13.626 ( 0.339 0.597 3.694) 3.757 13.687 ( -0.710 1.366 -2.202) 2.687 13.980 ( 0.188 3.195 9.118) 9.664 14.154 ( 0.667 6.117 -9.133) 11.013 14.672 ( 0.716 2.959 4.013) 5.037 14.751 ( -0.642 1.705 -4.383) 4.747 14.962 ( -0.582 -3.084 1.672) 3.556 14.992 ( 0.524 -3.861 -1.399) 4.140 15.904 ( -0.258 -1.624 0.905) 1.877 15.928 ( 0.070 -2.197 -1.578) 2.706 ======================= Grid point 303 (145/168) ======================= q-point: (-0.27 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( -4.451 36.479 19.827) 41.757 3.693 ( -2.470 25.901 37.164) 45.366 4.317 ( -2.926 33.507 -26.062) 42.550 4.368 ( 9.697 27.468 -22.334) 36.706 5.142 ( -10.373 -3.339 10.537) 15.158 5.569 ( 7.322 16.519 8.093) 19.798 5.668 ( 8.454 24.752 4.292) 26.506 5.769 ( 7.713 17.727 10.876) 22.182 6.017 ( -0.038 -3.508 -20.739) 21.034 6.155 ( 3.901 1.959 -6.301) 7.665 6.381 ( 10.492 17.458 -9.888) 22.641 6.521 ( 0.911 7.670 -4.440) 8.909 6.702 ( 10.756 7.098 -2.705) 13.168 6.912 ( 4.349 15.555 -9.341) 18.658 7.004 ( 1.912 0.854 14.801) 14.948 7.350 ( 7.233 -2.019 -3.050) 8.105 7.631 ( 0.100 -3.623 8.176) 8.943 7.835 ( -3.622 -5.267 -1.842) 6.652 8.186 ( -0.982 -6.895 1.108) 7.052 8.507 ( -2.083 3.046 -11.115) 11.711 8.661 ( 5.457 -1.218 11.215) 12.532 8.799 ( 4.050 0.654 -7.484) 8.534 8.887 ( -14.104 -12.282 -0.255) 18.704 9.223 ( -6.879 -19.973 -0.210) 21.126 9.423 ( 0.088 -6.787 1.130) 6.881 9.655 ( -4.071 -6.400 -0.854) 7.633 9.754 ( 0.573 -5.016 1.799) 5.360 9.949 ( 4.586 -9.688 -0.403) 10.726 10.064 ( 9.079 -10.234 3.195) 14.049 10.155 ( 9.587 -4.116 -1.256) 10.508 10.435 ( -1.230 -7.202 -1.030) 7.379 10.573 ( 2.735 -2.784 6.299) 7.410 10.963 ( -3.548 -0.990 5.338) 6.485 11.054 ( -6.323 1.520 -5.360) 8.427 11.239 ( -2.584 -0.481 -0.894) 2.776 11.345 ( -1.534 -6.035 0.393) 6.239 11.974 ( -3.398 -7.439 -0.166) 8.179 12.122 ( 1.926 -4.399 -1.149) 4.938 12.140 ( -9.502 -5.892 1.311) 11.257 12.304 ( 0.566 1.137 0.342) 1.315 12.384 ( -1.261 -4.627 2.727) 5.517 12.505 ( -2.232 -7.456 -1.835) 7.996 12.633 ( -0.607 0.730 -1.198) 1.528 12.656 ( 2.323 -1.784 3.589) 4.633 12.900 ( -2.687 3.907 -3.085) 5.657 12.962 ( 1.990 3.020 2.475) 4.382 13.204 ( -2.276 4.350 0.685) 4.957 13.229 ( 1.421 1.393 -1.557) 2.527 13.258 ( 0.583 1.855 2.526) 3.188 13.328 ( 3.136 0.843 -5.639) 6.507 13.621 ( 1.295 3.422 2.790) 4.601 13.715 ( 3.599 1.718 0.576) 4.030 13.928 ( -2.191 3.500 2.669) 4.917 14.122 ( 1.087 4.021 -5.613) 6.990 14.656 ( 0.272 2.550 3.029) 3.968 14.722 ( 0.723 3.232 -3.178) 4.590 14.999 ( 0.998 -3.777 2.045) 4.409 15.054 ( 2.528 -3.630 -2.205) 4.943 15.888 ( -2.133 -3.015 -1.161) 3.871 15.971 ( 1.179 -2.003 0.762) 2.446 ======================= Grid point 304 (146/168) ======================= q-point: (-0.18 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 14.677 30.493 18.534) 38.584 3.654 ( 10.948 16.053 40.449) 44.874 4.070 ( 12.208 32.069 -20.229) 39.833 4.327 ( 10.284 21.628 -28.116) 36.932 5.019 ( -2.295 0.615 5.910) 6.369 5.592 ( 8.954 8.446 12.414) 17.482 5.725 ( 16.515 16.050 -0.841) 23.044 5.869 ( 17.784 15.386 10.862) 25.904 6.039 ( 2.601 -3.650 -17.541) 18.105 6.255 ( 9.187 10.141 -7.425) 15.568 6.434 ( 4.061 2.122 1.647) 4.869 6.520 ( 9.568 10.827 -13.199) 19.570 6.772 ( 2.409 10.093 -0.387) 10.384 6.887 ( 4.174 4.493 -11.401) 12.946 7.083 ( 6.298 2.526 16.812) 18.130 7.471 ( -0.553 -2.406 3.928) 4.640 7.698 ( 4.667 -4.168 -5.604) 8.400 7.768 ( -3.906 -5.518 3.240) 7.497 8.305 ( 1.580 -8.907 -0.909) 9.092 8.426 ( -4.812 -0.269 -5.426) 7.257 8.715 ( -12.593 -5.158 -6.779) 15.203 8.744 ( -2.477 -0.041 -1.205) 2.755 8.802 ( -0.803 -4.288 -0.872) 4.449 9.254 ( -0.679 -7.271 6.501) 9.777 9.454 ( -5.045 -6.895 7.358) 11.275 9.569 ( -7.078 -3.828 -5.634) 9.823 9.832 ( 3.559 -1.236 3.062) 4.855 10.064 ( 1.851 -4.728 2.970) 5.882 10.290 ( 7.036 -0.753 0.058) 7.077 10.401 ( 7.393 -3.447 0.026) 8.157 10.470 ( 3.722 -5.688 -1.386) 6.937 10.671 ( 3.323 -4.005 5.839) 7.822 10.851 ( -8.075 2.799 -0.668) 8.572 10.931 ( -4.126 -1.760 -0.441) 4.507 11.215 ( -1.513 -2.788 -1.362) 3.452 11.332 ( -5.367 -4.436 0.701) 6.998 11.933 ( -7.945 1.385 -0.082) 8.065 12.000 ( -6.210 -8.231 0.553) 10.325 12.168 ( -3.723 -4.702 -0.432) 6.013 12.278 ( -2.286 0.015 0.764) 2.411 12.417 ( -0.707 -5.405 -1.413) 5.631 12.513 ( -3.866 -7.937 0.593) 8.848 12.598 ( -1.480 1.056 -0.883) 2.021 12.705 ( -0.513 -2.694 2.717) 3.861 12.843 ( -0.826 1.366 -4.405) 4.686 12.993 ( 2.854 1.227 1.688) 3.535 13.062 ( -7.497 4.093 0.265) 8.546 13.239 ( -1.030 2.120 3.980) 4.625 13.282 ( 4.466 3.339 -1.470) 5.767 13.361 ( 2.486 2.747 -3.568) 5.143 13.618 ( 2.176 5.694 3.392) 6.976 13.712 ( -0.865 6.383 0.060) 6.442 13.899 ( 2.493 1.772 -2.685) 4.070 14.092 ( -1.917 1.494 -0.577) 2.498 14.667 ( 3.551 1.359 1.899) 4.251 14.746 ( 5.114 2.525 -1.126) 5.813 15.061 ( 1.978 -3.799 2.237) 4.833 15.137 ( 3.126 -3.191 -3.466) 5.654 15.894 ( -0.229 -3.682 -3.652) 5.191 16.003 ( 0.292 -2.210 3.193) 3.894 ======================= Grid point 305 (147/168) ======================= q-point: (-0.09 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( 38.741 10.356 17.724) 43.844 3.828 ( 21.869 10.996 29.209) 38.110 4.196 ( 25.239 20.021 -14.511) 35.333 4.347 ( 11.153 15.374 -26.425) 32.543 5.073 ( 4.374 -5.588 1.479) 7.249 5.759 ( 12.614 1.142 10.678) 16.566 5.904 ( 4.111 -5.261 0.437) 6.692 6.106 ( 20.742 10.621 9.828) 25.291 6.167 ( 5.746 -4.223 -7.672) 10.474 6.305 ( 3.549 5.838 -11.632) 13.490 6.508 ( 5.247 5.111 -0.437) 7.338 6.580 ( 4.840 5.502 8.851) 11.491 6.727 ( 16.119 16.772 -20.826) 31.222 6.929 ( 4.386 2.511 -5.351) 7.361 7.163 ( 2.302 4.348 17.854) 18.519 7.474 ( 4.361 0.944 -3.383) 5.599 7.681 ( -7.255 -2.814 0.595) 7.804 7.899 ( 5.206 -6.060 -0.608) 8.013 8.298 ( -13.290 -3.254 6.361) 15.089 8.309 ( -4.118 -0.191 -7.516) 8.572 8.470 ( -13.650 5.622 -9.431) 17.518 8.678 ( -3.006 -4.551 -5.720) 7.904 8.848 ( -3.453 -8.634 0.692) 9.324 9.266 ( -3.638 0.353 7.994) 8.790 9.380 ( -8.822 -4.951 7.579) 12.640 9.561 ( 5.897 -2.151 -6.243) 8.853 9.891 ( 2.495 0.246 2.402) 3.472 10.127 ( 1.689 -1.999 -2.147) 3.385 10.293 ( -4.139 5.246 8.134) 10.526 10.440 ( 1.997 1.723 -2.161) 3.410 10.589 ( -1.769 -0.734 2.286) 2.982 10.738 ( 4.977 -5.603 1.859) 7.721 10.812 ( 2.295 1.641 -3.856) 4.778 10.910 ( -0.495 -4.163 1.277) 4.383 11.222 ( -1.571 -4.182 -2.287) 5.019 11.232 ( -7.298 -0.325 2.470) 7.712 11.756 ( -8.704 0.605 -0.701) 8.753 11.980 ( -3.994 -5.531 1.798) 7.056 12.122 ( -4.256 -3.423 -2.804) 6.140 12.222 ( -3.785 0.222 1.417) 4.048 12.416 ( -2.986 -2.259 0.880) 3.846 12.496 ( -3.020 -3.030 -0.170) 4.281 12.602 ( -0.993 -5.384 0.741) 5.525 12.694 ( -2.605 -2.725 -1.642) 4.113 12.830 ( -0.897 -0.402 -4.167) 4.282 12.879 ( -7.625 4.026 0.398) 8.632 13.022 ( 0.558 0.495 -0.489) 0.892 13.186 ( -3.245 0.622 4.365) 5.474 13.293 ( 1.172 4.707 -0.783) 4.914 13.385 ( 3.122 3.986 -0.100) 5.064 13.572 ( -4.285 5.464 0.121) 6.944 13.603 ( -0.920 8.194 -0.654) 8.272 13.964 ( 6.789 3.544 -4.082) 8.678 14.062 ( 0.164 -0.856 4.343) 4.430 14.755 ( 6.137 0.387 3.114) 6.893 14.852 ( 7.476 0.953 -1.077) 7.613 15.130 ( 1.670 -3.299 2.409) 4.413 15.215 ( 2.807 -2.569 -5.175) 6.423 15.940 ( 1.712 -3.513 -5.478) 6.729 16.024 ( -0.195 -2.247 5.111) 5.586 ======================= Grid point 311 (148/168) ======================= q-point: (-0.55 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( -6.051 -0.000 14.056) 15.303 4.769 ( -8.936 -0.000 4.428) 9.973 4.904 ( -8.072 -0.000 6.907) 10.624 5.036 ( 7.326 0.000 -32.802) 33.610 5.076 ( 3.105 0.000 -10.656) 11.099 5.192 ( -2.905 -0.000 4.497) 5.354 5.384 ( 20.474 0.000 -20.765) 29.161 5.514 ( 7.413 0.000 7.267) 10.381 6.170 ( 4.836 0.000 15.528) 16.263 6.263 ( 1.193 0.000 1.332) 1.788 6.718 ( -2.527 -0.000 21.095) 21.246 6.875 ( 5.886 0.000 -0.098) 5.887 6.884 ( 16.182 0.000 -9.688) 18.860 7.105 ( 3.553 0.000 13.949) 14.394 7.520 ( -10.503 -0.000 9.529) 14.182 7.531 ( -14.800 -0.000 4.284) 15.407 7.940 ( -3.967 -0.000 -2.663) 4.777 7.993 ( 0.319 0.000 -7.980) 7.986 8.085 ( 15.531 0.000 -9.044) 17.972 8.295 ( -15.382 -0.000 -9.938) 18.313 8.480 ( -14.559 -0.000 -10.035) 17.683 8.661 ( 7.271 0.000 -0.783) 7.313 8.874 ( -6.685 -0.000 -1.514) 6.855 8.935 ( -0.451 -0.000 1.006) 1.103 9.172 ( 5.715 0.000 1.388) 5.882 9.382 ( -5.265 -0.000 2.994) 6.057 9.666 ( 1.397 0.000 -0.043) 1.398 9.730 ( -12.293 -0.000 -1.818) 12.426 9.754 ( -10.456 -0.000 -1.827) 10.615 10.014 ( -13.548 -0.000 2.000) 13.695 10.316 ( 4.205 0.000 0.542) 4.239 10.431 ( -6.914 -0.000 7.303) 10.057 10.969 ( 4.011 0.000 3.745) 5.488 11.010 ( 2.292 0.000 -5.186) 5.670 11.207 ( 4.684 0.000 1.112) 4.814 11.276 ( 2.056 0.000 -0.770) 2.195 11.826 ( 3.848 0.000 -2.840) 4.783 11.869 ( 1.165 0.000 2.562) 2.814 12.183 ( 2.987 0.000 -0.431) 3.018 12.289 ( -1.672 -0.000 5.230) 5.491 12.337 ( 0.067 0.000 -1.672) 1.673 12.386 ( 2.531 0.000 -2.881) 3.834 12.578 ( 0.546 0.000 4.237) 4.272 12.704 ( -1.455 -0.000 -2.755) 3.115 12.944 ( 6.333 0.000 1.394) 6.485 13.111 ( 0.199 0.000 -2.394) 2.402 13.212 ( -2.303 -0.000 6.586) 6.977 13.223 ( 0.290 0.000 -2.758) 2.773 13.337 ( -1.190 -0.000 -3.774) 3.957 13.347 ( -3.380 -0.000 -1.716) 3.790 13.674 ( -5.501 -0.000 3.750) 6.658 13.756 ( -4.557 -0.000 -3.085) 5.503 14.006 ( 1.917 0.000 11.321) 11.482 14.202 ( 4.848 0.000 -9.390) 10.567 14.722 ( -0.454 -0.000 2.340) 2.383 14.756 ( 0.610 0.000 -2.586) 2.657 14.944 ( -2.197 -0.000 1.294) 2.550 14.949 ( -2.555 -0.000 -0.473) 2.598 15.825 ( 4.449 0.000 -1.023) 4.566 15.943 ( -2.993 -0.000 -0.509) 3.036 ======================= Grid point 313 (149/168) ======================= q-point: (-0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -6.660 25.874 26.118) 37.363 4.657 ( -6.478 7.264 4.415) 10.688 4.822 ( -2.338 -0.427 -1.928) 3.061 4.987 ( -3.342 12.287 6.053) 14.098 5.088 ( 4.048 15.635 -18.390) 24.475 5.271 ( 7.501 -15.288 -20.503) 26.653 5.601 ( -6.193 -14.991 3.303) 16.553 5.756 ( 6.192 -13.507 -12.861) 19.652 6.179 ( -2.399 6.714 11.447) 13.486 6.334 ( 8.109 4.301 -4.972) 10.440 6.714 ( 6.039 10.091 17.552) 21.128 6.824 ( -3.818 3.256 6.341) 8.086 7.024 ( -8.893 13.006 1.795) 15.857 7.137 ( 1.155 7.317 -9.225) 11.831 7.277 ( 15.638 16.382 13.685) 26.461 7.533 ( 4.507 5.127 -6.277) 9.274 7.718 ( -8.313 23.614 -3.972) 25.348 7.831 ( -6.976 9.309 -9.617) 15.093 8.132 ( -3.299 -20.280 7.986) 22.044 8.320 ( 1.078 -19.963 -8.652) 21.784 8.579 ( 15.175 -3.163 -0.934) 15.529 8.640 ( -10.711 -10.089 -9.072) 17.286 8.844 ( -2.737 10.347 0.702) 10.726 8.877 ( 1.360 2.314 -3.503) 4.413 9.301 ( 1.674 -5.076 2.540) 5.917 9.324 ( 0.220 -5.508 0.007) 5.512 9.636 ( -4.696 -7.154 1.077) 8.625 9.656 ( 2.100 -8.304 -1.118) 8.638 9.805 ( -2.996 -2.763 1.779) 4.448 9.827 ( 3.804 -5.480 -0.413) 6.683 10.329 ( -4.956 -2.861 7.696) 9.590 10.414 ( 4.426 -2.487 0.774) 5.136 10.984 ( -1.171 0.449 4.346) 4.523 11.058 ( 0.687 -2.517 -4.428) 5.139 11.271 ( 1.631 -0.612 0.271) 1.763 11.278 ( -1.262 -0.062 -0.869) 1.533 11.869 ( -2.146 -2.874 2.478) 4.359 11.894 ( 1.518 -2.961 -1.028) 3.482 12.235 ( -3.670 -1.312 2.535) 4.649 12.248 ( 3.068 -0.971 0.586) 3.271 12.346 ( 0.372 0.419 1.392) 1.501 12.411 ( -0.065 -0.960 -4.325) 4.430 12.595 ( 1.237 -0.131 5.223) 5.369 12.673 ( -1.544 0.172 -3.213) 3.569 13.011 ( 1.849 1.810 2.225) 3.412 13.070 ( -2.957 2.562 -3.666) 5.361 13.213 ( 2.308 0.060 3.816) 4.460 13.250 ( 2.139 -0.234 -0.014) 2.152 13.298 ( -0.878 1.009 -3.025) 3.308 13.307 ( -1.774 -0.228 -3.449) 3.885 13.632 ( 0.484 0.125 3.754) 3.788 13.699 ( -0.825 0.265 -3.100) 3.219 14.029 ( 0.401 1.709 11.465) 11.598 14.235 ( 0.347 2.555 -10.396) 10.711 14.710 ( -0.149 1.139 2.786) 3.014 14.766 ( 0.268 0.205 -3.251) 3.268 14.925 ( -0.536 -1.007 1.202) 1.657 14.939 ( 0.612 -1.802 -0.335) 1.932 15.887 ( -1.989 -0.346 0.100) 2.022 15.898 ( 1.679 -1.052 -1.049) 2.242 ======================= Grid point 314 (150/168) ======================= q-point: (-0.36 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( -0.678 22.452 32.685) 39.659 4.316 ( -10.144 33.451 9.390) 36.194 4.743 ( 2.537 21.312 -22.169) 30.856 4.833 ( -6.794 -1.572 7.089) 9.944 5.015 ( 2.169 12.849 -5.500) 14.144 5.543 ( 0.647 -21.965 -7.247) 23.139 5.601 ( -6.131 -18.128 -3.822) 19.515 5.845 ( -2.477 -5.326 -10.657) 12.169 6.018 ( -0.652 14.410 7.551) 16.282 6.373 ( 0.532 6.455 -9.422) 11.434 6.687 ( -2.180 2.417 15.519) 15.856 6.764 ( -3.766 7.507 1.443) 8.522 6.859 ( 14.169 17.744 3.673) 23.002 7.092 ( -2.657 5.847 -14.553) 15.907 7.265 ( 12.389 33.088 -3.688) 35.523 7.487 ( 9.914 14.613 6.152) 18.700 7.684 ( 4.586 5.718 0.078) 7.331 7.778 ( 4.316 0.576 -0.661) 4.404 8.078 ( -8.620 -5.343 1.546) 10.259 8.577 ( -0.466 -13.245 7.026) 15.000 8.623 ( 2.228 1.198 -14.710) 14.926 8.680 ( -12.779 -9.004 -5.451) 16.556 8.827 ( 5.491 -0.584 3.231) 6.398 8.879 ( 10.062 -4.660 -2.865) 11.452 9.291 ( -5.040 -7.742 -0.079) 9.238 9.514 ( 2.447 -8.758 0.126) 9.094 9.660 ( 2.892 -5.115 3.348) 6.763 9.775 ( 4.212 -8.023 -1.301) 9.155 9.883 ( 9.410 -9.881 2.112) 13.807 10.078 ( 11.987 -4.680 -0.851) 12.896 10.312 ( -0.846 -5.765 2.996) 6.551 10.513 ( 2.854 -3.514 5.358) 7.015 10.940 ( -3.536 -0.801 4.768) 5.990 11.058 ( -3.183 -1.300 -6.793) 7.613 11.240 ( -2.686 0.410 -1.901) 3.316 11.265 ( -3.414 -2.306 1.935) 4.552 11.839 ( -5.074 -7.117 2.270) 9.030 11.951 ( -0.725 -6.687 0.346) 6.735 12.170 ( -3.072 1.550 -0.396) 3.463 12.300 ( 0.665 -1.788 2.413) 3.076 12.336 ( -1.727 -0.114 1.730) 2.447 12.413 ( -1.193 -3.143 -3.569) 4.903 12.630 ( 1.807 -0.779 5.277) 5.632 12.646 ( -1.179 0.194 -2.779) 3.025 12.971 ( -4.005 3.640 -4.136) 6.812 13.015 ( 1.252 2.545 4.060) 4.953 13.231 ( -3.109 -0.380 -2.981) 4.324 13.272 ( 1.025 1.745 0.853) 2.196 13.290 ( 2.938 2.237 2.726) 4.590 13.335 ( 4.323 0.155 -5.730) 7.180 13.665 ( 3.133 1.523 4.089) 5.372 13.731 ( 4.421 0.448 -1.281) 4.624 13.991 ( -2.310 3.006 7.787) 8.660 14.185 ( -2.162 2.787 -8.804) 9.485 14.695 ( -0.008 1.927 1.526) 2.458 14.765 ( 0.744 1.304 -2.313) 2.757 14.943 ( 1.109 -2.027 1.708) 2.873 14.994 ( 2.825 -2.950 -1.216) 4.261 15.844 ( -2.690 -1.804 -1.272) 3.480 15.942 ( 1.269 -1.181 0.717) 1.876 ======================= Grid point 315 (151/168) ======================= q-point: (-0.27 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 1.153 32.028 15.382) 35.549 3.947 ( 7.509 18.442 32.819) 38.387 4.579 ( 4.083 22.481 -17.270) 28.641 4.743 ( 5.684 19.921 -15.077) 25.622 4.952 ( -2.151 -0.213 3.217) 3.876 5.542 ( -13.020 -21.907 -0.077) 25.484 5.793 ( 3.831 -9.816 -0.656) 10.557 5.839 ( 6.966 4.138 -1.639) 8.266 6.040 ( 8.045 1.028 -4.954) 9.504 6.322 ( 0.231 4.350 -11.461) 12.261 6.652 ( -1.659 2.931 0.653) 3.431 6.689 ( 3.841 3.654 9.663) 11.022 6.947 ( 3.731 7.591 5.027) 9.839 6.991 ( 2.320 8.217 -16.942) 18.972 7.277 ( 13.427 25.361 3.205) 28.874 7.557 ( 8.277 9.768 11.881) 17.466 7.701 ( 0.608 3.057 -12.579) 12.960 7.745 ( -1.217 1.398 6.789) 7.038 8.131 ( 4.087 -7.331 1.507) 8.528 8.483 ( -8.085 1.365 -0.377) 8.208 8.537 ( -8.798 -9.435 -12.291) 17.819 8.737 ( 7.495 1.984 3.984) 8.717 8.856 ( -2.890 5.462 -9.242) 11.118 9.147 ( 11.083 -4.924 5.945) 13.507 9.289 ( -3.994 -10.178 2.600) 11.238 9.505 ( -4.937 -3.973 -2.065) 6.665 9.792 ( 5.858 -2.774 4.542) 7.915 9.985 ( 7.006 -3.789 0.433) 7.977 10.191 ( 13.800 -11.168 2.798) 17.972 10.316 ( 10.880 -2.650 -1.812) 11.344 10.388 ( 2.156 -5.093 -2.897) 6.243 10.588 ( 2.152 -4.800 8.319) 9.843 10.886 ( -3.662 -0.656 4.781) 6.058 10.929 ( -8.981 3.040 -7.552) 12.122 11.175 ( -4.923 -2.088 -0.300) 5.356 11.229 ( -4.058 -5.914 0.516) 7.191 11.826 ( -4.889 -9.854 1.888) 11.161 11.933 ( -6.954 -3.233 0.587) 7.692 12.126 ( -0.161 1.347 -0.140) 1.364 12.287 ( -3.563 -0.395 -0.390) 3.606 12.316 ( -0.992 -3.713 0.729) 3.912 12.414 ( -2.269 -3.814 -1.158) 4.586 12.617 ( -1.525 0.666 -1.719) 2.393 12.664 ( -0.152 -1.839 4.336) 4.713 12.875 ( -3.162 2.045 -5.898) 6.998 13.027 ( 1.599 2.260 2.982) 4.069 13.130 ( -5.437 3.198 0.240) 6.312 13.267 ( -1.219 0.741 2.111) 2.547 13.341 ( 5.165 3.226 0.992) 6.170 13.396 ( 2.616 1.644 -5.721) 6.502 13.702 ( 2.636 3.773 4.789) 6.642 13.798 ( 1.982 3.207 3.228) 4.963 13.940 ( 1.957 2.513 -1.526) 3.532 14.113 ( -3.808 0.898 -3.811) 5.462 14.697 ( 2.846 2.047 0.214) 3.512 14.784 ( 3.152 1.387 -0.579) 3.492 14.999 ( 2.502 -2.823 2.107) 4.321 15.080 ( 3.477 -3.081 -2.525) 5.287 15.832 ( -0.591 -3.047 -3.894) 4.980 15.968 ( 0.225 -1.657 3.169) 3.583 ======================= Grid point 316 (152/168) ======================= q-point: (-0.18 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.921 ( 26.410 17.632 14.514) 34.914 4.035 ( 16.299 12.443 30.603) 36.838 4.559 ( 13.881 18.334 -13.411) 26.621 4.683 ( 8.730 21.318 -22.262) 32.035 4.972 ( 2.747 -3.537 0.920) 4.571 5.559 ( -5.132 -19.856 0.930) 20.529 5.852 ( -1.805 -4.784 3.472) 6.181 6.038 ( 9.282 -4.983 1.364) 10.623 6.204 ( 10.270 1.690 -3.762) 11.068 6.327 ( 4.592 -0.845 -12.121) 12.989 6.559 ( -11.781 -1.497 3.015) 12.253 6.774 ( 9.207 6.878 6.914) 13.412 6.904 ( 1.376 -1.050 1.580) 2.343 6.982 ( 3.342 8.909 -18.867) 21.130 7.311 ( 9.801 13.421 10.149) 19.473 7.593 ( 7.142 10.792 -0.596) 12.954 7.705 ( 0.888 4.290 9.175) 10.167 7.777 ( 1.374 -6.481 -3.321) 7.411 8.195 ( -3.040 -4.867 -2.423) 6.229 8.337 ( -7.606 -0.461 -2.055) 7.892 8.541 ( 1.327 -3.095 -2.589) 4.248 8.648 ( -10.919 7.257 -9.428) 16.148 8.814 ( 3.333 5.226 1.747) 6.440 9.263 ( -5.387 -2.675 3.851) 7.142 9.286 ( -2.491 -2.801 4.850) 6.130 9.539 ( 8.955 -1.045 -3.620) 9.716 9.893 ( 4.081 0.062 4.931) 6.401 10.102 ( 4.681 -0.105 -1.360) 4.875 10.369 ( -1.790 2.546 3.048) 4.356 10.474 ( 6.642 1.348 -2.463) 7.211 10.550 ( 4.919 -5.444 0.414) 7.348 10.626 ( -2.365 -5.001 3.315) 6.450 10.793 ( 2.131 -2.652 -0.896) 3.518 10.854 ( -2.412 -1.699 -0.092) 2.951 11.115 ( -5.787 -6.522 1.500) 8.847 11.210 ( -2.668 -3.545 -0.659) 4.486 11.775 ( -8.563 -1.179 1.911) 8.852 11.854 ( -2.353 -5.660 -1.064) 6.221 12.099 ( -2.211 0.651 1.865) 2.965 12.223 ( -3.794 -0.700 -0.777) 3.935 12.345 ( -0.786 -5.431 -3.042) 6.274 12.401 ( -2.616 -3.950 1.113) 4.866 12.583 ( -1.007 0.802 -0.224) 1.307 12.656 ( -2.349 -1.860 1.723) 3.456 12.819 ( -2.573 -0.695 -6.527) 7.050 12.953 ( -6.460 3.097 -1.433) 7.306 13.058 ( 0.476 4.031 3.116) 5.117 13.208 ( -3.772 1.749 3.889) 5.693 13.375 ( 0.763 4.283 -3.025) 5.299 13.425 ( 3.215 0.738 0.974) 3.440 13.662 ( -3.831 4.706 2.374) 6.516 13.729 ( -3.731 5.388 0.688) 6.590 14.022 ( 6.372 2.537 -1.486) 7.018 14.058 ( 1.008 0.821 0.127) 1.306 14.765 ( 5.481 0.790 1.605) 5.766 14.862 ( 5.898 0.081 0.149) 5.901 15.076 ( 2.765 -2.578 2.054) 4.302 15.167 ( 3.388 -2.749 -4.494) 6.263 15.877 ( 2.193 -3.506 -6.066) 7.341 15.985 ( -0.174 -2.085 5.281) 5.680 ======================= Grid point 317 (153/168) ======================= q-point: (-0.09 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( 23.818 7.794 20.397) 32.312 4.489 ( 39.219 4.190 15.746) 42.469 4.608 ( 4.251 11.084 -17.181) 20.883 4.756 ( 16.899 13.662 -10.563) 24.162 5.090 ( 5.276 -4.832 -4.616) 8.514 5.674 ( -0.398 -15.154 -0.354) 15.163 5.807 ( -10.146 -8.875 3.753) 13.993 6.141 ( -15.358 0.524 -12.274) 19.667 6.215 ( 3.412 2.584 -0.638) 4.327 6.449 ( 12.033 -2.210 6.308) 13.765 6.539 ( 2.336 -10.890 -0.977) 11.180 6.910 ( 11.519 2.914 2.872) 12.224 6.961 ( 1.601 3.482 -9.923) 10.637 7.046 ( 9.271 -2.087 -2.340) 9.787 7.364 ( 8.117 11.424 11.030) 17.835 7.630 ( -1.758 7.197 8.154) 11.017 7.655 ( 5.589 2.700 -5.129) 8.052 7.877 ( 1.695 -8.214 -0.055) 8.388 8.132 ( -6.019 7.338 3.011) 9.957 8.176 ( -8.717 2.046 0.993) 9.009 8.328 ( -10.753 7.449 -11.929) 17.703 8.619 ( 0.727 -2.118 0.791) 2.374 8.766 ( -3.163 3.094 0.141) 4.427 9.112 ( -11.168 -1.090 -1.505) 11.322 9.261 ( -0.748 -1.386 4.979) 5.223 9.746 ( 9.933 -1.145 -5.762) 11.540 9.963 ( 5.740 3.565 3.589) 7.651 10.151 ( -3.174 4.494 -3.514) 6.529 10.193 ( -5.676 -0.106 1.646) 5.911 10.515 ( 3.132 2.754 6.964) 8.117 10.595 ( 2.833 0.627 -0.520) 2.947 10.709 ( -1.208 -4.116 -1.747) 4.631 10.851 ( -0.792 -5.118 -0.057) 5.180 10.903 ( 3.146 -1.213 2.074) 3.958 11.087 ( -3.029 -7.703 -0.839) 8.320 11.206 ( 1.015 0.920 1.550) 2.068 11.632 ( -5.850 1.861 -0.488) 6.158 11.881 ( -0.795 -5.458 -0.030) 5.515 12.044 ( -3.002 0.591 -1.375) 3.355 12.168 ( -2.666 -0.252 -0.468) 2.719 12.352 ( -1.565 -1.659 0.914) 2.457 12.401 ( -2.073 -5.207 -0.475) 5.624 12.572 ( -0.793 -0.752 0.187) 1.109 12.623 ( -2.516 -1.195 -0.409) 2.815 12.765 ( -3.614 -0.943 -2.748) 4.637 12.832 ( -3.003 3.830 -2.153) 5.321 13.009 ( -3.179 1.631 -0.844) 3.672 13.140 ( -1.389 0.733 4.991) 5.232 13.339 ( -0.376 3.263 0.385) 3.307 13.461 ( 2.003 2.708 1.344) 3.626 13.495 ( -8.536 4.611 -1.488) 9.815 13.612 ( -3.691 3.190 -0.660) 4.923 14.083 ( 3.193 -1.575 6.041) 7.012 14.149 ( 7.654 4.604 -4.193) 9.868 14.863 ( 5.194 -0.065 2.248) 5.659 14.972 ( 5.269 -0.453 0.016) 5.289 15.127 ( 0.538 -1.801 2.444) 3.083 15.247 ( 3.059 -1.799 -5.830) 6.826 15.943 ( 1.087 -2.456 -1.353) 3.007 16.010 ( 1.444 -2.135 1.155) 2.824 ======================= Grid point 324 (154/168) ======================= q-point: ( 0.55 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( -7.710 -0.000 31.534) 32.462 4.487 ( -0.903 -0.000 15.418) 15.445 4.832 ( -0.201 -0.000 -3.293) 3.300 5.074 ( -2.381 -0.000 -13.102) 13.316 5.077 ( -15.910 -0.000 9.143) 18.350 5.293 ( 4.037 0.000 -8.679) 9.572 5.419 ( 6.167 0.000 -23.825) 24.611 5.699 ( -3.768 -0.000 -11.945) 12.525 6.213 ( 2.104 0.000 7.047) 7.354 6.431 ( -0.044 -0.000 -11.993) 11.993 6.596 ( -12.110 -0.000 16.321) 20.323 6.810 ( -2.367 -0.000 8.590) 8.911 7.082 ( -0.859 -0.000 9.620) 9.658 7.145 ( -0.627 -0.000 -17.815) 17.826 7.565 ( 7.936 0.000 10.399) 13.081 7.710 ( 5.224 0.000 -9.796) 11.102 7.897 ( 5.591 0.000 -2.663) 6.193 7.928 ( -1.907 -0.000 3.615) 4.087 8.008 ( 9.444 0.000 -2.650) 9.809 8.140 ( 2.743 0.000 1.554) 3.153 8.409 ( -3.512 -0.000 -6.276) 7.192 8.760 ( -1.706 -0.000 -7.978) 8.158 8.882 ( 11.256 0.000 -2.726) 11.581 8.930 ( 0.399 0.000 1.190) 1.255 9.180 ( -6.444 -0.000 0.778) 6.491 9.417 ( 5.161 0.000 -0.763) 5.217 9.626 ( 1.441 0.000 3.495) 3.781 9.688 ( 10.226 0.000 2.824) 10.609 9.768 ( 8.254 0.000 -2.593) 8.652 10.027 ( 13.334 0.000 0.562) 13.346 10.258 ( -0.735 -0.000 5.003) 5.056 10.477 ( 2.711 0.000 4.378) 5.149 10.937 ( -3.444 -0.000 3.734) 5.080 11.037 ( -1.924 -0.000 -5.718) 6.033 11.247 ( -2.544 -0.000 -3.236) 4.116 11.248 ( -4.186 -0.000 2.406) 4.828 11.767 ( -6.456 -0.000 4.294) 7.753 11.896 ( -0.255 -0.000 -0.824) 0.862 12.181 ( -1.438 -0.000 -0.373) 1.486 12.285 ( 0.838 0.000 2.827) 2.948 12.337 ( -1.671 -0.000 1.906) 2.535 12.387 ( -1.609 -0.000 -4.199) 4.496 12.622 ( 1.488 0.000 5.912) 6.096 12.648 ( -1.294 -0.000 -3.249) 3.497 13.008 ( -4.834 -0.000 -4.910) 6.890 13.039 ( 1.122 0.000 5.042) 5.165 13.223 ( -2.706 -0.000 -2.866) 3.942 13.283 ( 0.245 0.000 1.261) 1.285 13.317 ( 4.112 0.000 1.858) 4.512 13.335 ( 4.758 0.000 -5.897) 7.578 13.677 ( 3.817 0.000 4.855) 6.176 13.735 ( 4.653 0.000 -2.299) 5.190 14.019 ( -2.582 -0.000 9.714) 10.051 14.211 ( -3.607 -0.000 -10.015) 10.645 14.717 ( 0.869 0.000 1.478) 1.715 14.770 ( -0.050 -0.000 -2.637) 2.637 14.931 ( 1.447 0.000 1.497) 2.082 14.961 ( 2.837 0.000 -0.624) 2.905 15.827 ( -2.944 -0.000 -1.375) 3.249 15.931 ( 1.313 0.000 0.738) 1.506 ======================= Grid point 326 (155/168) ======================= q-point: (-0.36 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( 1.043 15.150 28.024) 31.874 4.466 ( -2.912 26.879 7.902) 28.167 4.624 ( -4.828 -8.013 16.704) 19.146 4.937 ( 2.261 7.954 -14.795) 16.949 5.072 ( -9.668 -23.398 -0.018) 25.317 5.311 ( 5.644 20.193 -11.126) 23.736 5.578 ( 5.387 -7.898 -9.901) 13.763 5.744 ( 3.206 -13.857 -15.650) 21.148 6.208 ( 5.761 13.948 7.058) 16.660 6.371 ( -4.549 0.928 -15.764) 16.434 6.525 ( -3.845 -13.728 12.113) 18.707 6.672 ( -9.096 0.302 1.967) 9.312 7.063 ( -1.136 4.456 10.447) 11.415 7.132 ( 3.509 3.566 -12.435) 13.403 7.683 ( 2.969 5.811 3.398) 7.357 7.703 ( -5.253 3.659 -2.275) 6.794 7.774 ( -1.581 4.017 4.605) 6.312 7.825 ( 3.360 17.778 -8.757) 20.101 8.095 ( 5.423 2.156 3.005) 6.564 8.268 ( -9.954 -16.208 -6.623) 20.141 8.557 ( 9.728 2.417 8.183) 12.940 8.812 ( 10.555 3.310 -5.516) 12.361 8.947 ( -0.527 4.864 -4.769) 6.832 9.042 ( 6.666 -6.545 0.632) 9.364 9.177 ( 6.608 -1.930 0.469) 6.900 9.431 ( -3.046 -3.323 0.186) 4.512 9.772 ( 10.504 0.668 2.175) 10.747 9.929 ( 14.590 -1.839 -0.348) 14.709 10.006 ( 12.130 -7.750 1.846) 14.512 10.258 ( 8.279 -3.173 -0.838) 8.906 10.325 ( 8.311 -1.470 0.190) 8.442 10.515 ( 0.229 -2.813 7.107) 7.647 10.884 ( -1.943 0.612 4.690) 5.113 10.971 ( -5.847 0.899 -9.559) 11.241 11.124 ( -9.439 -2.218 4.028) 10.500 11.176 ( -5.109 -0.858 -3.383) 6.187 11.677 ( -5.556 -5.316 5.296) 9.337 11.881 ( -2.398 -1.654 -1.174) 3.141 12.165 ( -0.007 1.484 -2.162) 2.622 12.268 ( -2.922 0.101 3.209) 4.341 12.295 ( -2.599 -0.754 1.508) 3.098 12.366 ( -1.281 -1.478 -2.175) 2.925 12.623 ( -1.409 0.114 -2.550) 2.916 12.641 ( -0.261 -0.713 5.458) 5.510 12.906 ( -5.168 1.143 -6.529) 8.405 13.058 ( -0.204 0.970 2.536) 2.723 13.168 ( -1.293 1.121 1.657) 2.382 13.266 ( -1.986 -0.422 0.894) 2.219 13.388 ( 3.792 1.634 1.267) 4.319 13.421 ( 3.860 0.923 -7.124) 8.155 13.747 ( 3.417 1.262 6.010) 7.028 13.832 ( 3.022 0.842 4.587) 5.557 13.972 ( 0.775 0.888 0.849) 1.452 14.126 ( -4.500 0.467 -6.745) 8.122 14.739 ( 2.658 2.545 -0.441) 3.706 14.783 ( 1.582 -1.446 -1.237) 2.474 14.972 ( 2.905 -0.315 2.457) 3.817 15.035 ( 3.976 -1.740 -1.745) 4.678 15.793 ( -0.886 -1.186 -4.231) 4.482 15.947 ( 0.183 -0.609 3.235) 3.297 ======================= Grid point 327 (156/168) ======================= q-point: (-0.27 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 11.886 13.462 19.893) 26.800 4.304 ( 12.395 19.546 14.787) 27.465 4.720 ( 4.545 -6.970 10.070) 13.063 4.875 ( 2.991 13.450 -13.960) 19.615 5.144 ( -3.436 -12.696 -5.087) 14.102 5.262 ( 11.098 14.672 -9.549) 20.727 5.683 ( -4.716 -11.211 1.931) 12.315 5.968 ( 11.625 -5.839 -10.020) 16.420 6.230 ( -2.145 -0.542 -7.414) 7.737 6.307 ( 7.077 3.092 -2.706) 8.183 6.522 ( -11.721 -3.793 -1.325) 12.391 6.638 ( 1.523 -12.293 7.408) 14.433 6.956 ( -6.395 0.272 4.943) 8.088 7.153 ( 5.495 11.062 -13.420) 18.240 7.496 ( -2.491 4.972 -1.615) 5.791 7.727 ( -3.987 1.421 -7.011) 8.189 7.774 ( 3.010 4.392 7.795) 9.440 7.784 ( 6.129 6.816 9.796) 13.416 8.124 ( -0.427 -3.356 -4.024) 5.257 8.201 ( -8.056 -9.855 -2.485) 12.969 8.661 ( 10.348 12.638 7.118) 17.817 8.777 ( -10.633 6.326 -3.771) 12.934 8.943 ( 6.406 7.073 -1.840) 9.718 9.180 ( -0.550 -4.473 0.431) 4.527 9.299 ( 0.932 2.361 2.924) 3.872 9.489 ( 8.530 -5.340 -2.956) 10.489 9.926 ( 9.629 4.690 3.447) 11.252 10.133 ( 8.242 3.389 -1.262) 9.000 10.334 ( 9.985 -8.984 1.845) 13.558 10.390 ( 5.162 -5.008 -1.697) 7.389 10.523 ( 10.972 0.486 -0.752) 11.008 10.538 ( -3.628 -5.196 1.518) 6.516 10.795 ( -6.683 3.196 -1.433) 7.545 10.855 ( -1.136 2.187 2.645) 3.615 10.996 ( -8.667 -6.845 0.950) 11.085 11.124 ( -2.802 -5.505 -1.547) 6.368 11.659 ( -3.664 -7.810 4.648) 9.799 11.834 ( -3.123 0.064 -2.767) 4.173 12.139 ( -0.808 2.950 0.699) 3.137 12.197 ( -4.552 -0.840 0.874) 4.711 12.284 ( 0.161 -2.058 -0.346) 2.093 12.356 ( -1.274 -1.428 -0.104) 1.917 12.593 ( -1.382 0.287 -1.674) 2.190 12.628 ( -2.067 -1.278 4.002) 4.683 12.809 ( -4.737 -0.299 -7.539) 8.909 12.981 ( -5.913 0.641 -2.768) 6.560 13.145 ( -0.648 4.752 3.405) 5.882 13.238 ( -1.352 1.141 5.169) 5.463 13.425 ( 0.115 0.541 -2.958) 3.009 13.434 ( 1.238 1.445 -1.984) 2.749 13.733 ( -4.544 3.220 5.047) 7.516 13.783 ( -3.984 0.949 3.884) 5.644 14.053 ( -0.190 1.368 -0.891) 1.644 14.088 ( 8.110 1.753 -3.709) 9.089 14.783 ( 4.268 1.227 -0.069) 4.441 14.853 ( 4.615 -1.021 1.062) 4.845 15.043 ( 3.837 -1.099 2.132) 4.525 15.124 ( 4.090 -1.940 -3.542) 5.748 15.824 ( 2.825 -2.197 -7.113) 7.962 15.955 ( -0.290 -1.251 5.699) 5.842 ======================= Grid point 328 (157/168) ======================= q-point: (-0.18 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.436 ( 19.380 7.498 18.213) 27.631 4.597 ( 31.537 7.729 10.804) 34.221 4.790 ( -1.348 9.329 -9.980) 13.728 4.892 ( 8.737 -1.808 4.301) 9.905 5.147 ( 3.454 9.397 -12.131) 15.729 5.460 ( 11.377 -5.255 -1.294) 12.599 5.640 ( -5.621 -8.644 3.090) 10.764 6.137 ( -11.243 -2.517 -13.312) 17.605 6.224 ( -10.641 -2.383 -5.752) 12.329 6.303 ( 9.386 -8.199 0.969) 12.500 6.475 ( 7.899 0.538 5.420) 9.595 6.770 ( 1.999 -9.443 0.274) 9.656 6.951 ( 1.147 -10.538 -7.131) 12.776 7.166 ( 8.831 12.751 -6.140) 16.681 7.468 ( 0.961 2.246 14.428) 14.634 7.624 ( -6.406 -3.102 -10.827) 12.957 7.784 ( 2.140 6.535 0.553) 6.899 7.844 ( 6.238 3.486 7.527) 10.379 8.127 ( -3.918 -5.370 -3.261) 7.404 8.209 ( 1.870 -0.774 1.203) 2.354 8.462 ( -16.010 8.185 -1.602) 18.052 8.702 ( 4.483 10.092 8.358) 13.849 8.876 ( -6.357 7.430 -1.593) 9.908 9.102 ( -9.801 -0.403 -1.522) 9.927 9.267 ( 0.550 2.402 3.933) 4.641 9.698 ( 8.081 -4.126 -5.353) 10.535 10.052 ( 9.067 6.497 3.682) 11.746 10.187 ( 0.389 1.876 -3.792) 4.249 10.263 ( -10.587 5.365 -1.416) 11.953 10.515 ( 1.151 -2.055 3.240) 4.006 10.601 ( 2.704 -7.489 0.966) 8.021 10.655 ( 6.359 4.093 0.444) 7.575 10.778 ( 0.079 -2.117 0.328) 2.144 10.863 ( 4.006 -3.038 -0.180) 5.030 10.943 ( -3.680 -7.602 -0.968) 8.502 11.164 ( 1.449 -5.168 1.874) 5.685 11.645 ( -3.759 -2.037 2.189) 4.803 11.807 ( 0.540 -1.899 -3.623) 4.126 12.088 ( -1.592 3.960 2.993) 5.213 12.135 ( -3.541 -2.513 -1.398) 4.561 12.318 ( 0.916 -1.637 -1.382) 2.330 12.350 ( -0.241 -0.915 1.694) 1.941 12.569 ( -1.363 0.061 -2.055) 2.466 12.603 ( -1.358 -1.063 3.049) 3.503 12.731 ( -4.648 -2.252 -6.379) 8.208 12.877 ( -4.116 0.900 -2.668) 4.987 13.065 ( -3.592 3.630 -0.537) 5.135 13.176 ( -2.033 3.714 6.047) 7.382 13.374 ( -3.154 0.457 -2.752) 4.210 13.477 ( 1.632 -0.412 2.399) 2.930 13.572 ( -8.086 3.968 3.119) 9.532 13.670 ( -6.410 2.937 -1.573) 7.224 14.060 ( 1.447 -0.911 4.521) 4.834 14.218 ( 7.338 3.049 -3.746) 8.784 14.863 ( 4.738 0.111 1.083) 4.861 14.956 ( 4.988 -1.274 1.635) 5.401 15.107 ( 1.839 -0.524 2.094) 2.836 15.216 ( 4.180 -1.666 -5.327) 6.973 15.909 ( 3.343 -1.347 -3.928) 5.331 15.972 ( 1.318 -2.116 3.165) 4.029 ======================= Grid point 329 (158/168) ======================= q-point: (-0.09 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.621 ( -9.065 2.544 -4.678) 10.514 4.783 ( 20.795 4.152 8.617) 22.890 4.971 ( 2.130 2.925 0.204) 3.624 5.091 ( 3.742 3.102 1.128) 4.990 5.241 ( 29.026 -0.797 8.930) 30.379 5.538 ( -7.127 -3.829 -3.090) 8.660 5.778 ( -17.124 -1.874 -14.459) 22.490 5.823 ( 17.330 3.049 -4.257) 18.104 6.101 ( -13.869 -7.808 -6.530) 17.204 6.504 ( 1.347 -3.532 5.258) 6.475 6.646 ( 10.872 -3.709 7.327) 13.625 6.862 ( 0.896 -2.364 -8.230) 8.609 7.120 ( 4.703 -12.407 -2.831) 13.567 7.224 ( 3.822 4.057 -0.869) 5.641 7.475 ( 2.449 5.272 12.757) 14.019 7.631 ( 6.123 -3.724 -9.586) 11.969 7.744 ( -1.074 2.787 0.991) 3.147 7.935 ( -4.354 5.740 12.991) 14.855 7.970 ( -10.733 5.398 -2.786) 12.332 8.093 ( -3.191 0.558 -1.595) 3.611 8.242 ( -6.169 5.878 -1.884) 8.727 8.655 ( -2.460 4.560 5.424) 7.501 8.723 ( -0.727 0.031 4.097) 4.161 8.890 ( -11.980 -2.273 -5.187) 13.251 9.297 ( 3.815 0.873 1.211) 4.097 9.806 ( -0.891 -0.100 -8.324) 8.372 10.020 ( -3.728 0.253 4.443) 5.805 10.139 ( 2.488 4.761 2.756) 6.038 10.185 ( -1.647 -0.905 -4.053) 4.467 10.554 ( 0.715 -2.479 4.163) 4.898 10.624 ( -0.792 1.668 -1.323) 2.272 10.733 ( 5.229 1.317 2.668) 6.017 10.822 ( 1.261 -0.944 -0.687) 1.718 10.872 ( -1.860 -3.142 -3.817) 5.282 11.046 ( 4.465 -3.503 -0.289) 5.683 11.248 ( 3.022 -3.493 3.375) 5.721 11.572 ( -3.277 2.584 -1.249) 4.356 11.868 ( 2.974 -2.479 -2.498) 4.607 12.012 ( -2.449 3.941 -0.256) 4.647 12.116 ( -1.248 -2.693 -1.300) 3.240 12.331 ( -0.063 -0.682 2.635) 2.722 12.367 ( 1.127 0.372 1.454) 1.877 12.538 ( -1.112 0.179 -2.209) 2.480 12.601 ( -0.265 -0.346 -0.068) 0.441 12.708 ( -0.310 -3.820 -3.160) 4.967 12.817 ( -1.004 1.796 -0.550) 2.130 12.958 ( -4.158 3.893 -0.984) 5.781 13.154 ( 1.854 -0.018 4.893) 5.232 13.315 ( -3.902 -1.126 -3.661) 5.468 13.389 ( -5.711 4.162 2.456) 7.481 13.506 ( 0.575 1.624 1.215) 2.108 13.546 ( -4.308 -0.438 -0.378) 4.347 14.099 ( -0.064 -3.470 6.024) 6.953 14.283 ( 2.803 3.035 -4.151) 5.857 14.939 ( 3.103 -0.158 0.376) 3.129 15.032 ( 1.864 -0.596 0.419) 2.001 15.127 ( 0.505 -0.128 3.312) 3.352 15.284 ( 1.979 -0.465 -5.766) 6.114 15.927 ( -1.229 -0.328 6.975) 7.090 16.052 ( 4.311 -1.052 -6.452) 7.830 ======================= Grid point 337 (159/168) ======================= q-point: ( 0.64 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.373 ( 6.846 0.000 18.639) 19.857 4.562 ( 1.348 0.000 8.012) 8.124 4.640 ( 7.416 0.000 11.544) 13.721 4.852 ( 4.977 0.000 7.888) 9.327 5.034 ( 1.122 0.000 -11.353) 11.408 5.490 ( 2.783 0.000 1.019) 2.964 5.595 ( 1.200 0.000 -15.093) 15.141 5.864 ( 17.107 0.000 -14.286) 22.288 6.211 ( -11.063 -0.000 -15.022) 18.656 6.438 ( 5.044 0.000 8.884) 10.216 6.442 ( 8.771 0.000 3.113) 9.307 6.461 ( -13.598 -0.000 -3.016) 13.928 6.946 ( -13.322 -0.000 7.840) 15.458 7.289 ( 10.622 0.000 -6.300) 12.350 7.508 ( -7.354 -0.000 -22.412) 23.588 7.762 ( -12.696 -0.000 -0.078) 12.696 7.808 ( 4.080 0.000 13.408) 14.015 7.845 ( 5.529 0.000 10.650) 12.000 8.096 ( -5.311 -0.000 -0.038) 5.311 8.098 ( -1.419 -0.000 -5.427) 5.610 8.812 ( 9.173 0.000 10.136) 13.671 8.839 ( -9.931 -0.000 -3.490) 10.527 9.018 ( 7.158 0.000 2.023) 7.438 9.123 ( 3.654 0.000 -2.846) 4.631 9.373 ( -1.599 -0.000 2.081) 2.624 9.374 ( 11.974 0.000 -4.594) 12.825 10.017 ( 13.445 0.000 0.880) 13.474 10.188 ( 11.185 0.000 -1.580) 11.296 10.189 ( 13.228 0.000 3.468) 13.675 10.337 ( 4.608 0.000 -4.429) 6.391 10.474 ( -3.141 -0.000 2.163) 3.814 10.531 ( 11.309 0.000 0.980) 11.351 10.869 ( -5.428 -0.000 -8.725) 10.276 10.891 ( -11.818 -0.000 6.666) 13.568 10.900 ( 1.360 0.000 4.577) 4.775 11.055 ( -6.496 -0.000 -3.421) 7.342 11.580 ( -2.572 -0.000 5.769) 6.317 11.833 ( -2.189 -0.000 -3.027) 3.736 12.158 ( -2.369 -0.000 -2.331) 3.323 12.217 ( -3.105 -0.000 2.652) 4.084 12.253 ( 0.362 0.000 1.937) 1.971 12.345 ( -0.421 -0.000 0.081) 0.429 12.595 ( -1.490 -0.000 -2.378) 2.807 12.616 ( -2.021 -0.000 5.006) 5.398 12.807 ( -5.781 -0.000 -7.874) 9.768 12.986 ( -6.028 -0.000 -3.056) 6.759 13.198 ( -4.577 -0.000 -0.477) 4.602 13.239 ( 4.810 0.000 9.748) 10.870 13.437 ( 0.996 0.000 0.381) 1.066 13.441 ( -2.477 -0.000 -7.303) 7.711 13.768 ( -7.267 -0.000 7.949) 10.770 13.782 ( -1.094 -0.000 3.658) 3.818 14.067 ( -1.730 -0.000 -2.235) 2.826 14.104 ( 9.775 0.000 -3.798) 10.487 14.800 ( 2.848 0.000 -1.760) 3.348 14.838 ( 5.085 0.000 2.214) 5.546 15.034 ( 3.980 0.000 2.405) 4.650 15.106 ( 4.560 0.000 -3.102) 5.516 15.804 ( 3.131 0.000 -7.655) 8.271 15.943 ( -0.366 -0.000 5.912) 5.924 ======================= Grid point 339 (160/168) ======================= q-point: (-0.27 0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.550 ( 14.966 4.572 11.980) 19.708 4.729 ( 21.168 5.223 4.644) 22.292 4.828 ( 11.613 -1.975 10.819) 15.995 4.919 ( -6.399 3.012 -3.805) 8.031 5.136 ( 13.273 -4.326 4.760) 14.749 5.484 ( -9.238 -2.930 4.841) 10.833 5.636 ( 14.725 10.210 -13.385) 22.366 6.048 ( -8.675 -4.306 -12.835) 16.079 6.171 ( -19.279 -2.626 -8.281) 21.146 6.224 ( 19.314 -2.407 -6.298) 20.457 6.518 ( 3.340 4.479 7.269) 9.168 6.637 ( 7.503 -5.354 0.123) 9.218 6.731 ( -8.507 -10.726 -4.336) 14.361 7.380 ( 4.569 11.008 -11.927) 16.861 7.489 ( 0.351 0.177 11.601) 11.607 7.551 ( -7.992 -5.876 -15.041) 18.018 7.862 ( -1.729 2.143 3.022) 4.088 7.900 ( 6.215 1.967 10.618) 12.459 8.029 ( -1.843 -3.311 -2.859) 4.748 8.192 ( 10.165 -0.989 6.601) 12.161 8.575 ( -17.619 3.736 1.617) 18.083 8.851 ( -2.119 4.657 2.438) 5.668 8.996 ( -7.367 5.587 3.687) 9.954 9.082 ( -9.060 -2.044 0.547) 9.304 9.337 ( 0.492 4.181 4.338) 6.045 9.618 ( 11.177 -3.911 -7.137) 13.826 10.163 ( -0.429 3.802 -2.897) 4.799 10.250 ( 3.632 6.251 0.472) 7.245 10.333 ( -3.832 1.177 -2.169) 4.558 10.442 ( 2.511 -6.949 2.360) 7.757 10.497 ( 5.847 -1.827 -0.337) 6.135 10.662 ( 2.658 -1.127 0.851) 3.010 10.772 ( 4.728 -1.472 2.022) 5.349 10.820 ( -1.171 -2.652 -3.849) 4.819 10.903 ( -0.140 6.074 0.331) 6.084 11.047 ( 2.300 -7.614 2.291) 8.277 11.580 ( 0.281 -3.181 4.404) 5.440 11.801 ( -0.798 0.218 -5.607) 5.668 12.104 ( -2.961 -0.662 -1.106) 3.230 12.159 ( -1.708 2.679 2.850) 4.268 12.298 ( 2.728 -0.578 1.635) 3.232 12.346 ( 0.778 0.110 1.544) 1.732 12.570 ( -1.296 0.113 -2.517) 2.833 12.586 ( -1.268 -0.820 3.918) 4.199 12.700 ( -5.845 -1.031 -7.361) 9.456 12.879 ( -5.022 -0.155 -3.487) 6.115 13.108 ( -4.115 1.186 -1.999) 4.726 13.256 ( -2.195 4.027 7.738) 8.995 13.359 ( -5.788 -1.621 -4.119) 7.287 13.462 ( 1.992 -0.788 2.494) 3.288 13.626 ( -7.384 1.763 5.471) 9.358 13.706 ( -6.628 0.977 -1.859) 6.953 14.050 ( -0.666 -0.277 2.841) 2.931 14.254 ( 6.725 1.029 -3.430) 7.618 14.867 ( 4.415 0.289 -0.947) 4.525 14.934 ( 4.818 -0.900 4.105) 6.393 15.105 ( 3.105 0.134 1.785) 3.584 15.192 ( 4.674 -0.815 -4.871) 6.800 15.896 ( 6.128 -0.202 -8.093) 10.153 15.942 ( -0.029 -1.069 6.810) 6.894 ======================= Grid point 340 (161/168) ======================= q-point: (-0.18 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( -16.264 1.764 0.233) 16.361 4.839 ( 18.546 2.259 5.830) 19.571 5.009 ( 4.025 0.564 1.308) 4.269 5.167 ( -7.166 5.388 4.586) 10.071 5.242 ( 28.415 0.321 8.648) 29.703 5.495 ( 11.133 -0.842 1.001) 11.210 5.763 ( -21.023 -0.078 -15.279) 25.989 5.906 ( 8.062 -1.792 -6.446) 10.476 5.964 ( 3.188 0.926 -6.695) 7.473 6.451 ( -2.360 -1.230 5.812) 6.392 6.565 ( 9.671 -5.122 1.199) 11.009 6.821 ( -0.361 -14.452 -3.296) 14.828 6.854 ( 13.259 -2.409 -6.123) 14.803 7.284 ( -4.786 1.246 -5.512) 7.406 7.514 ( 3.890 -0.662 2.837) 4.860 7.577 ( 4.454 -0.898 -8.629) 9.752 7.801 ( -2.326 3.166 2.597) 4.710 7.997 ( 3.883 0.123 3.340) 5.123 8.065 ( -10.784 3.342 7.220) 13.402 8.132 ( -8.290 6.244 -0.633) 10.398 8.359 ( -0.646 5.791 7.425) 9.438 8.662 ( -11.609 -2.324 -12.285) 17.061 8.785 ( -6.029 4.560 16.006) 17.701 8.864 ( -14.660 -1.078 3.623) 15.140 9.332 ( 2.267 2.474 2.058) 3.936 9.805 ( 6.199 0.532 -9.356) 11.236 10.016 ( -7.507 -1.147 -1.240) 7.694 10.149 ( -10.677 -0.553 -0.052) 10.692 10.263 ( 0.941 6.282 3.659) 7.331 10.514 ( 2.086 -1.756 2.280) 3.554 10.611 ( 2.484 -2.367 -1.671) 3.816 10.756 ( 2.699 -1.536 2.139) 3.771 10.808 ( 1.110 -1.066 -4.603) 4.854 10.839 ( 2.668 2.893 -0.631) 3.986 10.994 ( 8.892 -2.865 -0.281) 9.346 11.160 ( 2.576 -5.193 2.810) 6.442 11.603 ( -0.299 0.667 0.761) 1.055 11.822 ( 2.862 -2.280 -6.222) 7.218 12.076 ( -0.737 -0.735 -0.488) 1.149 12.103 ( -1.269 4.404 2.578) 5.259 12.327 ( 0.919 0.744 1.313) 1.767 12.383 ( 2.838 0.571 3.100) 4.242 12.543 ( -0.869 0.131 -3.521) 3.630 12.586 ( -0.404 -1.230 1.710) 2.145 12.646 ( -0.841 -2.533 -3.459) 4.369 12.825 ( -0.959 -0.445 -3.084) 3.260 13.025 ( -3.398 2.742 -1.677) 4.677 13.175 ( -1.611 2.406 5.182) 5.936 13.279 ( -4.528 -2.598 -3.499) 6.285 13.452 ( -5.173 2.710 2.843) 6.495 13.522 ( -0.557 0.322 5.353) 5.392 13.554 ( -7.924 0.857 -3.805) 8.832 14.040 ( -2.254 -2.863 5.240) 6.382 14.321 ( 1.906 1.314 -3.533) 4.224 14.937 ( 2.972 -0.084 -0.555) 3.025 15.017 ( 2.550 -0.991 2.150) 3.479 15.135 ( 0.981 0.875 3.376) 3.622 15.275 ( 3.429 -0.470 -6.187) 7.089 15.927 ( -0.507 0.192 8.011) 8.029 16.034 ( 6.166 -0.872 -7.733) 9.929 ======================= Grid point 341 (162/168) ======================= q-point: (-0.09 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.321 ( -21.691 -4.536 8.432) 23.710 4.708 ( -24.071 -0.780 0.510) 24.089 5.094 ( -0.609 2.049 -4.931) 5.374 5.160 ( -3.309 1.132 -10.408) 10.980 5.404 ( -6.262 0.114 0.998) 6.342 5.510 ( -6.888 -3.880 -10.042) 12.781 5.731 ( 20.145 4.308 3.404) 20.880 5.972 ( 10.521 7.378 1.001) 12.889 6.195 ( 9.919 6.083 -1.163) 11.694 6.483 ( 6.202 -5.730 7.980) 11.618 6.680 ( -5.448 -9.452 -0.616) 10.927 6.909 ( 2.893 2.098 -1.500) 3.876 7.052 ( 2.522 -7.363 -3.073) 8.368 7.259 ( -0.431 2.142 -7.899) 8.196 7.441 ( -34.292 -1.967 8.291) 35.335 7.596 ( 1.190 0.787 -3.998) 4.245 7.675 ( -1.474 -0.206 7.345) 7.494 7.797 ( 4.784 -3.409 -9.886) 11.499 7.974 ( -8.497 -1.402 1.959) 8.832 8.064 ( -13.492 -0.999 -4.169) 14.157 8.187 ( 7.965 11.369 11.706) 18.158 8.612 ( -1.341 -0.914 0.042) 1.623 8.695 ( -1.402 -1.575 1.092) 2.375 8.822 ( 9.603 -0.386 14.019) 16.997 9.375 ( 3.652 1.569 -4.675) 6.136 9.767 ( -3.100 2.914 -0.000) 4.254 9.975 ( -7.938 -4.852 2.083) 9.534 10.065 ( 2.712 -3.796 -7.685) 8.990 10.208 ( -0.192 4.471 4.085) 6.059 10.561 ( 1.031 -0.062 -0.661) 1.226 10.597 ( -2.897 -0.516 0.454) 2.977 10.755 ( -2.022 -0.017 -1.904) 2.778 10.842 ( 2.178 -2.754 1.015) 3.655 10.958 ( 8.431 2.187 -1.701) 8.875 11.141 ( 5.942 0.631 -0.525) 5.999 11.208 ( -2.937 -5.616 -1.034) 6.421 11.569 ( 0.541 4.398 -1.399) 4.647 11.919 ( 4.435 -2.715 -5.380) 7.482 12.041 ( 0.564 6.505 3.017) 7.192 12.094 ( 1.555 -1.196 -0.578) 2.045 12.344 ( 1.464 0.105 2.171) 2.621 12.420 ( 2.386 2.060 3.197) 4.490 12.560 ( 2.960 0.352 -1.676) 3.419 12.598 ( 1.048 -0.629 -1.540) 1.967 12.690 ( 2.291 -2.944 -1.485) 4.015 12.832 ( 1.047 1.258 -2.325) 2.843 12.949 ( -0.538 3.909 1.635) 4.271 13.198 ( 3.876 -2.563 4.181) 6.251 13.231 ( -2.714 -0.843 -5.897) 6.547 13.334 ( -4.409 1.753 3.011) 5.620 13.444 ( -4.263 -2.782 -2.494) 5.668 13.518 ( -0.783 -1.025 3.600) 3.824 14.015 ( -4.738 -5.099 5.834) 9.082 14.299 ( -2.671 1.505 -3.505) 4.657 14.958 ( -1.316 0.106 -0.975) 1.641 15.025 ( -2.214 -0.878 0.486) 2.431 15.152 ( 1.616 0.854 4.647) 4.993 15.308 ( 0.665 1.240 -6.782) 6.926 15.909 ( -1.230 0.945 8.499) 8.639 16.124 ( 3.466 0.603 -6.955) 7.794 ======================= Grid point 350 (163/168) ======================= q-point: (-0.27 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( -19.267 -0.000 2.323) 19.407 4.861 ( 15.990 0.000 2.461) 16.179 5.008 ( 6.716 0.000 4.841) 8.279 5.219 ( 14.807 0.000 5.300) 15.727 5.255 ( 0.292 0.000 8.119) 8.124 5.492 ( 21.105 0.000 3.722) 21.431 5.774 ( -22.209 -0.000 -14.307) 26.419 5.816 ( -5.065 -0.000 -7.913) 9.395 6.050 ( 18.553 0.000 -7.796) 20.124 6.483 ( -3.372 -0.000 -1.338) 3.628 6.509 ( 7.071 0.000 -2.232) 7.415 6.598 ( -0.880 -0.000 8.224) 8.271 6.863 ( 19.769 0.000 -11.162) 22.702 7.285 ( -10.566 -0.000 -6.879) 12.608 7.507 ( 1.871 0.000 -1.931) 2.689 7.573 ( 4.873 0.000 -3.704) 6.121 7.833 ( -1.202 -0.000 -0.244) 1.226 7.983 ( 0.902 0.000 2.327) 2.496 8.102 ( -2.051 -0.000 9.951) 10.160 8.208 ( -13.061 -0.000 1.797) 13.184 8.410 ( 7.208 0.000 12.016) 14.012 8.635 ( -19.038 -0.000 -19.043) 26.927 8.838 ( -11.914 -0.000 11.115) 16.294 8.842 ( -12.677 -0.000 13.087) 18.221 9.357 ( 0.581 0.000 2.931) 2.988 9.819 ( 11.334 0.000 -10.048) 15.147 9.995 ( -10.022 -0.000 -4.208) 10.869 10.148 ( -14.720 -0.000 2.324) 14.903 10.331 ( -3.896 -0.000 4.035) 5.609 10.497 ( 5.688 0.000 0.352) 5.699 10.584 ( 6.510 0.000 -0.973) 6.583 10.712 ( 1.585 0.000 0.301) 1.614 10.813 ( -1.154 -0.000 -3.898) 4.065 10.912 ( 9.154 0.000 -1.690) 9.309 10.933 ( 2.953 0.000 1.291) 3.223 11.108 ( 5.494 0.000 2.489) 6.031 11.605 ( 3.065 0.000 3.182) 4.418 11.801 ( 1.083 0.000 -8.431) 8.500 12.072 ( 0.110 0.000 0.057) 0.124 12.143 ( -1.403 -0.000 0.874) 1.653 12.356 ( 2.769 0.000 5.935) 6.549 12.374 ( 1.845 0.000 1.133) 2.165 12.539 ( -2.534 -0.000 -4.989) 5.596 12.573 ( 0.365 0.000 2.712) 2.736 12.626 ( 0.067 0.000 -3.200) 3.201 12.818 ( -0.807 -0.000 -3.605) 3.694 13.049 ( -3.141 -0.000 -2.780) 4.194 13.210 ( -4.088 -0.000 6.211) 7.435 13.245 ( -4.069 -0.000 -3.951) 5.672 13.475 ( -2.892 -0.000 3.119) 4.254 13.526 ( -3.026 -0.000 6.019) 6.737 13.562 ( -8.907 -0.000 -4.688) 10.065 14.012 ( -3.289 -0.000 4.915) 5.913 14.332 ( 1.627 0.000 -3.279) 3.660 14.936 ( 2.666 0.000 -1.190) 2.920 15.007 ( 2.990 0.000 3.214) 4.390 15.145 ( 1.003 0.000 3.569) 3.707 15.270 ( 4.208 0.000 -6.608) 7.834 15.929 ( -0.557 -0.000 8.960) 8.978 16.026 ( 7.170 0.000 -8.792) 11.344 ======================= Grid point 351 (164/168) ======================= q-point: (-0.18 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( -25.453 -1.568 9.322) 27.151 4.710 ( -28.980 0.420 0.008) 28.983 5.133 ( 7.428 1.888 -2.728) 8.136 5.174 ( -7.725 0.236 -5.805) 9.666 5.408 ( -14.431 0.500 -4.635) 15.166 5.446 ( -6.801 -2.897 -5.991) 9.515 5.824 ( 30.964 5.019 1.202) 31.391 6.066 ( 22.918 2.120 1.406) 23.059 6.278 ( 1.161 0.582 6.256) 6.389 6.445 ( 3.188 5.054 -0.803) 6.029 6.526 ( -4.164 -6.127 1.172) 7.500 6.731 ( 7.779 -12.836 -0.155) 15.010 7.115 ( 1.156 6.660 -9.477) 11.641 7.265 ( 10.279 -1.753 -5.170) 11.639 7.414 ( -34.413 -0.920 5.944) 34.934 7.528 ( -3.913 -4.290 -8.211) 10.057 7.714 ( -11.085 2.170 3.533) 11.835 7.791 ( 2.190 0.885 -2.843) 3.696 7.951 ( -11.598 -0.833 1.940) 11.789 8.037 ( -23.911 -1.238 -12.056) 26.807 8.365 ( 15.040 6.276 10.392) 19.328 8.600 ( -1.458 -0.355 0.038) 1.501 8.709 ( 2.020 3.106 10.199) 10.851 8.790 ( 7.969 -3.608 20.087) 21.909 9.400 ( 4.747 0.942 -5.424) 7.270 9.832 ( -5.386 3.983 -0.206) 6.702 9.901 ( -11.668 -3.354 2.531) 12.401 10.003 ( 6.065 -2.674 -8.035) 10.416 10.268 ( -1.142 1.856 2.747) 3.506 10.545 ( 1.767 -0.999 0.296) 2.051 10.642 ( -1.878 4.866 -3.381) 6.215 10.733 ( -3.915 -3.778 -3.777) 6.623 10.786 ( 3.255 -1.820 3.536) 5.140 10.994 ( 5.838 2.552 0.788) 6.420 11.065 ( 0.969 -5.566 -0.107) 5.651 11.197 ( 5.758 1.001 -2.714) 6.443 11.649 ( 2.781 3.633 0.661) 4.623 11.853 ( 3.475 -3.481 -8.572) 9.883 12.102 ( 2.233 1.869 0.107) 2.914 12.123 ( 1.724 1.180 1.872) 2.805 12.366 ( 1.082 3.006 2.345) 3.963 12.423 ( 1.568 -1.991 3.464) 4.292 12.539 ( 2.516 -1.387 -3.251) 4.338 12.593 ( 1.779 -0.323 1.502) 2.351 12.673 ( 4.265 0.529 -1.590) 4.582 12.853 ( 4.016 0.762 -2.899) 5.012 12.992 ( -1.840 0.913 0.097) 2.057 13.168 ( -0.015 -0.687 4.796) 4.845 13.215 ( -0.285 -0.660 -5.372) 5.420 13.367 ( -6.135 1.483 2.183) 6.679 13.410 ( -7.210 -1.067 -3.782) 8.211 13.499 ( -2.420 -0.798 5.132) 5.730 13.945 ( -5.272 -2.354 5.670) 8.092 14.317 ( -2.736 0.533 -2.740) 3.909 14.958 ( -0.470 -0.054 -1.573) 1.642 15.011 ( -3.145 -0.490 1.134) 3.379 15.165 ( 1.686 0.469 5.338) 5.618 15.325 ( 1.959 0.563 -7.553) 7.823 15.920 ( -0.614 0.347 8.831) 8.859 16.131 ( 4.396 0.243 -7.246) 8.479 ======================= Grid point 352 (165/168) ======================= q-point: (-0.09 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -28.117 -6.061 19.740) 34.885 4.131 ( -35.669 -4.624 5.617) 36.403 4.732 ( -32.670 3.648 -20.742) 38.870 4.874 ( -23.951 -2.833 -24.766) 34.569 5.309 ( -0.836 4.796 0.946) 4.960 5.635 ( 7.023 -9.814 7.700) 14.315 6.083 ( 4.448 7.084 6.486) 10.585 6.261 ( 11.971 11.201 0.552) 16.403 6.286 ( -10.777 3.559 -6.011) 12.843 6.426 ( -1.174 -0.855 5.565) 5.752 6.495 ( -26.747 -6.976 13.165) 30.617 6.731 ( -5.276 -14.043 1.672) 15.095 6.837 ( -30.540 0.887 -14.700) 33.906 7.056 ( -13.588 -1.966 -10.448) 17.253 7.121 ( -3.572 1.730 -4.944) 6.339 7.434 ( -2.527 -4.618 -1.550) 5.488 7.567 ( -8.394 -4.104 5.128) 10.658 7.735 ( -1.878 -9.724 11.539) 15.207 7.953 ( 11.658 2.671 -6.311) 13.522 8.089 ( 17.173 -3.055 -7.777) 19.098 8.510 ( 12.252 17.357 12.658) 24.731 8.643 ( 4.277 3.404 6.019) 8.131 8.825 ( 11.256 0.631 -1.404) 11.361 9.017 ( 11.390 -2.941 16.789) 20.500 9.469 ( 4.043 3.828 -4.904) 7.420 9.698 ( -6.932 -2.040 -0.431) 7.238 9.839 ( 0.668 -2.325 0.797) 2.546 10.078 ( 1.027 -0.749 -3.446) 3.672 10.296 ( 5.735 1.262 -2.207) 6.274 10.517 ( -6.152 2.890 0.254) 6.802 10.591 ( 1.549 -0.425 0.501) 1.682 10.687 ( -2.888 -4.045 -1.877) 5.312 10.863 ( 2.020 -1.317 0.891) 2.571 11.035 ( -7.139 -5.535 -5.696) 10.679 11.090 ( 4.874 -0.278 2.397) 5.438 11.306 ( 7.976 4.100 -4.749) 10.148 11.667 ( 4.682 5.294 0.199) 7.070 11.959 ( 3.868 -4.065 -6.367) 8.487 12.111 ( 2.518 2.576 2.790) 4.557 12.193 ( 6.796 4.724 0.583) 8.297 12.379 ( 2.174 0.066 1.997) 2.952 12.464 ( 1.864 -0.693 1.856) 2.720 12.620 ( 3.160 -0.544 -2.293) 3.942 12.650 ( 5.349 -0.336 0.650) 5.399 12.760 ( 5.998 0.933 -0.551) 6.095 12.886 ( 2.393 5.035 -3.181) 6.418 12.982 ( 0.612 1.324 3.856) 4.123 13.215 ( 0.627 0.906 -6.043) 6.143 13.238 ( 2.506 -5.046 2.197) 6.047 13.263 ( -2.456 0.447 2.036) 3.221 13.345 ( -2.546 -5.125 -0.803) 5.778 13.458 ( -3.638 -3.656 2.542) 5.750 13.869 ( -6.218 -3.948 5.904) 9.439 14.235 ( -4.948 1.030 -1.993) 5.433 14.890 ( -6.748 0.757 1.411) 6.935 14.946 ( -4.313 -1.662 -1.642) 4.905 15.187 ( 0.882 1.001 4.100) 4.311 15.322 ( -0.679 1.941 -7.432) 7.711 15.905 ( -0.522 1.250 7.607) 7.727 16.171 ( 0.903 1.126 -5.598) 5.781 ======================= Grid point 362 (166/168) ======================= q-point: (-0.18 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( -28.893 -0.000 19.745) 34.996 4.092 ( -38.446 -0.000 5.054) 38.777 4.789 ( -23.761 -0.000 -27.817) 36.583 4.829 ( -33.753 -0.000 -16.557) 37.595 5.380 ( 1.484 0.000 6.896) 7.054 5.516 ( 3.439 0.000 4.040) 5.306 6.157 ( -6.017 -0.000 8.873) 10.720 6.303 ( -7.896 -0.000 -10.363) 13.028 6.387 ( -46.456 -0.000 17.249) 49.555 6.426 ( 11.559 0.000 -7.477) 13.767 6.448 ( 23.029 0.000 0.697) 23.040 6.551 ( 0.836 0.000 12.372) 12.400 6.878 ( -41.784 -0.000 -25.451) 48.925 6.953 ( -13.118 -0.000 -0.378) 13.123 7.250 ( -21.269 -0.000 -5.546) 21.981 7.306 ( 20.158 0.000 -14.644) 24.916 7.567 ( -17.168 -0.000 12.863) 21.452 7.626 ( -0.370 -0.000 17.130) 17.134 7.992 ( 16.973 0.000 -11.488) 20.495 8.055 ( 16.830 0.000 -4.389) 17.393 8.646 ( 6.873 0.000 1.825) 7.112 8.733 ( 18.859 0.000 4.352) 19.355 8.862 ( 9.034 0.000 10.561) 13.898 8.926 ( 8.059 0.000 19.216) 20.838 9.513 ( 5.998 0.000 -7.937) 9.948 9.665 ( -9.476 -0.000 3.225) 10.010 9.827 ( 1.060 0.000 1.310) 1.685 10.070 ( 2.658 0.000 -4.090) 4.878 10.310 ( 4.491 0.000 -3.882) 5.936 10.555 ( -5.383 -0.000 1.821) 5.683 10.610 ( 1.664 0.000 -4.597) 4.889 10.613 ( -5.541 -0.000 1.315) 5.695 10.853 ( 3.610 0.000 1.985) 4.120 10.968 ( -5.722 -0.000 -7.332) 9.301 11.094 ( 3.317 0.000 5.229) 6.192 11.345 ( 8.888 0.000 -5.935) 10.688 11.733 ( 3.902 0.000 1.143) 4.066 11.901 ( 4.681 0.000 -8.356) 9.577 12.142 ( 2.121 0.000 1.967) 2.893 12.231 ( 7.870 0.000 0.470) 7.884 12.398 ( 0.721 0.000 -1.569) 1.726 12.443 ( 2.442 0.000 6.614) 7.051 12.605 ( 4.451 0.000 -3.918) 5.929 12.649 ( 4.534 0.000 2.808) 5.334 12.772 ( 6.145 0.000 -3.443) 7.044 12.957 ( 5.041 0.000 -1.382) 5.227 12.984 ( 0.589 0.000 3.238) 3.291 13.186 ( 3.012 0.000 4.184) 5.155 13.231 ( 1.760 0.000 -7.123) 7.337 13.272 ( -4.814 -0.000 0.992) 4.915 13.285 ( -5.202 -0.000 -2.009) 5.576 13.422 ( -5.485 -0.000 4.362) 7.008 13.832 ( -5.721 -0.000 5.987) 8.281 14.245 ( -5.025 -0.000 -1.495) 5.243 14.901 ( -7.932 -0.000 2.684) 8.373 14.926 ( -3.033 -0.000 -3.006) 4.270 15.196 ( 1.012 0.000 4.156) 4.278 15.340 ( -0.454 -0.000 -7.589) 7.603 15.916 ( -0.299 -0.000 7.693) 7.699 16.181 ( 1.103 0.000 -5.628) 5.735 ======================= Grid point 363 (167/168) ======================= q-point: (-0.09 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( -32.567 -0.839 28.472) 43.267 3.378 ( -39.856 -8.131 15.282) 43.453 4.089 ( -41.409 8.600 -22.503) 47.907 4.364 ( -27.972 -10.261 -32.607) 44.169 5.142 ( -30.888 -0.466 16.988) 35.255 5.414 ( -36.843 -2.533 13.342) 39.266 5.508 ( -21.366 -10.978 8.205) 25.384 5.911 ( -42.635 -7.802 -35.566) 56.068 6.092 ( -22.608 4.728 0.193) 23.098 6.220 ( -9.251 -6.158 -1.468) 11.210 6.353 ( -15.624 3.166 -4.048) 16.447 6.469 ( 2.853 -4.761 -1.551) 5.763 6.730 ( 0.450 8.729 -8.952) 12.512 6.925 ( 4.589 2.244 6.007) 7.885 7.122 ( 14.876 -8.215 -7.470) 18.563 7.368 ( -2.184 5.707 20.172) 21.077 7.662 ( 4.061 -3.036 15.167) 15.992 7.751 ( 18.179 -5.489 -4.674) 19.556 8.265 ( 13.698 6.443 -6.733) 16.567 8.395 ( 17.238 -1.436 -6.357) 18.429 8.784 ( 8.914 5.769 2.988) 11.030 8.920 ( 10.847 16.511 7.476) 21.123 8.994 ( 7.081 -0.962 2.969) 7.738 9.163 ( 9.452 -8.553 9.365) 15.817 9.549 ( 0.590 1.923 3.152) 3.739 9.613 ( 2.628 -2.081 -3.776) 5.049 9.863 ( 1.471 0.035 1.251) 1.931 10.104 ( 1.248 0.744 -2.493) 2.885 10.375 ( -1.734 2.092 -1.501) 3.104 10.437 ( -1.390 -2.529 -3.198) 4.308 10.532 ( -3.522 -2.005 1.563) 4.344 10.695 ( 4.850 -0.719 -0.969) 4.998 10.862 ( -3.510 0.107 -5.716) 6.708 10.916 ( 0.938 -2.066 -0.133) 2.272 11.166 ( 4.739 -0.532 3.670) 6.017 11.484 ( 7.435 3.125 -9.064) 12.132 11.803 ( 5.843 2.469 0.596) 6.371 12.012 ( 5.501 -1.947 -3.525) 6.818 12.180 ( 2.600 1.338 1.414) 3.248 12.364 ( 7.276 2.563 0.339) 7.721 12.425 ( 2.985 0.307 0.108) 3.003 12.501 ( 3.172 -0.822 3.487) 4.785 12.672 ( 2.965 0.355 -2.142) 3.675 12.753 ( 6.094 -1.319 2.525) 6.727 12.896 ( 7.363 1.261 -5.629) 9.354 12.967 ( -1.120 3.962 -0.539) 4.152 12.987 ( -0.775 1.496 4.409) 4.720 13.183 ( -2.077 1.120 0.062) 2.361 13.225 ( -3.636 -2.489 0.272) 4.415 13.260 ( 1.986 0.795 -3.938) 4.482 13.326 ( 1.149 -4.302 0.262) 4.461 13.338 ( 0.853 -5.963 3.039) 6.747 13.755 ( -3.209 -1.434 6.420) 7.319 14.151 ( -4.528 0.325 -0.843) 4.617 14.740 ( -9.395 -0.018 4.163) 10.277 14.850 ( -5.422 -0.353 -4.125) 6.822 15.198 ( -0.643 0.672 2.950) 3.094 15.307 ( -2.218 1.080 -6.730) 7.168 15.916 ( 0.631 0.776 5.568) 5.657 16.172 ( -1.450 0.695 -3.945) 4.260 ======================= Grid point 374 (168/168) ======================= q-point: (-0.09 -0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.24e-05 8.24e-05 8.24e-05 8.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -44.315 -0.000 21.297) 49.166 2.722 ( -29.547 -0.000 40.128) 49.832 3.387 ( -40.459 -0.000 -27.194) 48.749 3.613 ( -43.774 -0.000 -31.155) 53.729 4.164 ( -56.137 -0.000 42.673) 70.515 4.978 ( -19.868 -0.000 17.825) 26.692 5.022 ( -31.192 -0.000 -5.802) 31.727 5.234 ( -22.606 -0.000 -54.620) 59.113 5.552 ( -36.373 -0.000 -2.861) 36.485 5.626 ( -26.428 -0.000 -4.137) 26.750 6.503 ( 7.216 0.000 5.735) 9.218 6.557 ( 11.992 0.000 -7.864) 14.341 6.822 ( 3.439 0.000 -7.976) 8.686 6.943 ( 0.586 0.000 -1.753) 1.848 7.422 ( 2.876 0.000 21.494) 21.685 7.481 ( 19.407 0.000 9.704) 21.698 7.708 ( 5.170 0.000 8.212) 9.704 8.058 ( 14.702 0.000 -8.549) 17.007 8.462 ( 5.108 0.000 -1.505) 5.326 8.659 ( 10.668 0.000 -5.958) 12.219 8.963 ( 3.982 0.000 5.886) 7.107 9.033 ( 0.913 0.000 -2.424) 2.590 9.201 ( 9.887 0.000 -0.746) 9.915 9.284 ( 10.547 0.000 5.443) 11.869 9.587 ( 3.203 0.000 -0.011) 3.203 9.685 ( 4.555 0.000 -0.557) 4.589 9.888 ( 0.992 0.000 8.055) 8.115 10.101 ( -1.980 -0.000 -4.643) 5.048 10.266 ( -7.466 -0.000 2.578) 7.898 10.414 ( 1.278 0.000 2.323) 2.651 10.547 ( 2.869 0.000 -12.808) 13.126 10.761 ( 1.850 0.000 0.693) 1.975 10.836 ( 1.877 0.000 4.372) 4.758 10.951 ( 2.574 0.000 -2.032) 3.280 11.271 ( 6.619 0.000 1.376) 6.760 11.577 ( 0.195 0.000 -12.915) 12.917 11.916 ( 5.723 0.000 0.253) 5.729 12.113 ( 6.080 0.000 0.874) 6.143 12.215 ( 0.431 0.000 -0.189) 0.471 12.469 ( 3.607 0.000 3.567) 5.072 12.526 ( 7.721 0.000 -5.717) 9.607 12.542 ( 0.264 0.000 6.146) 6.151 12.729 ( 2.754 0.000 0.077) 2.755 12.834 ( 2.311 0.000 2.431) 3.355 12.928 ( -1.060 -0.000 -1.755) 2.051 12.972 ( -2.769 -0.000 2.954) 4.049 13.003 ( 3.215 0.000 -7.386) 8.056 13.121 ( -5.112 -0.000 -0.566) 5.143 13.158 ( -3.051 -0.000 -0.314) 3.067 13.217 ( -3.770 -0.000 3.482) 5.131 13.343 ( 6.560 0.000 -1.062) 6.646 13.457 ( 7.612 0.000 1.636) 7.785 13.741 ( 1.950 0.000 6.810) 7.084 14.088 ( -2.384 -0.000 -1.763) 2.965 14.575 ( -8.319 -0.000 5.162) 9.790 14.737 ( -6.635 -0.000 -4.702) 8.132 15.180 ( -1.580 -0.000 2.191) 2.702 15.263 ( -2.708 -0.000 -5.617) 6.236 15.946 ( 2.067 0.000 3.308) 3.901 16.136 ( -2.422 -0.000 -2.267) 3.317 =================== 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 3/36300 10.0 11244.302 15425.598 18258.007 0.000 2482.566 0.000 3/36300 20.0 10091.867 8453.860 8237.319 0.000 728.200 0.000 3/36300 30.0 4714.381 4222.009 3784.964 0.000 221.578 0.000 3/36300 40.0 2539.508 2265.216 1948.939 0.000 104.348 0.000 3/36300 50.0 1506.834 1325.098 1117.135 0.000 61.726 0.000 3/36300 60.0 960.484 832.970 700.547 0.000 40.398 0.000 3/36300 70.0 651.059 558.171 472.774 0.000 28.125 0.000 3/36300 80.0 466.339 396.134 339.154 0.000 20.596 0.000 3/36300 90.0 350.488 295.499 255.913 0.000 15.755 0.000 3/36300 100.0 274.357 229.877 201.264 0.000 12.504 0.000 3/36300 110.0 222.145 185.154 163.712 0.000 10.234 0.000 3/36300 120.0 184.950 153.460 136.872 0.000 8.592 0.000 3/36300 130.0 157.553 130.219 117.028 0.000 7.367 0.000 3/36300 140.0 136.775 112.663 101.920 0.000 6.427 0.000 3/36300 150.0 120.613 99.055 90.125 0.000 5.689 0.000 3/36300 160.0 107.760 88.268 80.713 0.000 5.097 0.000 3/36300 170.0 97.340 79.548 73.058 0.000 4.614 0.000 3/36300 180.0 88.748 72.377 66.727 0.000 4.213 0.000 3/36300 190.0 81.557 66.391 61.416 0.000 3.876 0.000 3/36300 200.0 75.460 61.327 56.901 0.000 3.589 0.000 3/36300 210.0 70.231 56.993 53.020 0.000 3.342 0.000 3/36300 220.0 65.698 53.244 49.650 0.000 3.127 0.000 3/36300 230.0 61.734 49.971 46.698 0.000 2.939 0.000 3/36300 240.0 58.238 47.091 44.089 0.000 2.772 0.000 3/36300 250.0 55.132 44.536 41.769 0.000 2.624 0.000 3/36300 260.0 52.354 42.254 39.691 0.000 2.491 0.000 3/36300 270.0 49.855 40.205 37.818 0.000 2.372 0.000 3/36300 280.0 47.595 38.353 36.123 0.000 2.264 0.000 3/36300 290.0 45.540 36.672 34.580 0.000 2.166 0.000 3/36300 300.0 43.663 35.139 33.170 0.000 2.076 0.000 3/36300 310.0 41.942 33.735 31.875 0.000 1.993 0.000 3/36300 320.0 40.358 32.443 30.682 0.000 1.917 0.000 3/36300 330.0 38.895 31.252 29.580 0.000 1.847 0.000 3/36300 340.0 37.539 30.149 28.558 0.000 1.782 0.000 3/36300 350.0 36.278 29.124 27.607 0.000 1.722 0.000 3/36300 360.0 35.104 28.170 26.720 0.000 1.666 0.000 3/36300 370.0 34.006 27.280 25.891 0.000 1.613 0.000 3/36300 380.0 32.978 26.446 25.114 0.000 1.564 0.000 3/36300 390.0 32.013 25.664 24.384 0.000 1.518 0.000 3/36300 400.0 31.105 24.929 23.697 0.000 1.474 0.000 3/36300 410.0 30.249 24.236 23.049 0.000 1.434 0.000 3/36300 420.0 29.441 23.583 22.437 0.000 1.395 0.000 3/36300 430.0 28.677 22.965 21.858 0.000 1.358 0.000 3/36300 440.0 27.953 22.380 21.309 0.000 1.324 0.000 3/36300 450.0 27.266 21.825 20.788 0.000 1.291 0.000 3/36300 460.0 26.613 21.298 20.293 0.000 1.260 0.000 3/36300 470.0 25.992 20.797 19.822 0.000 1.230 0.000 3/36300 480.0 25.400 20.320 19.373 0.000 1.202 0.000 3/36300 490.0 24.835 19.865 18.944 0.000 1.175 0.000 3/36300 500.0 24.296 19.430 18.535 0.000 1.149 0.000 3/36300 510.0 23.780 19.015 18.143 0.000 1.125 0.000 3/36300 520.0 23.286 18.618 17.768 0.000 1.101 0.000 3/36300 530.0 22.814 18.237 17.409 0.000 1.079 0.000 3/36300 540.0 22.360 17.872 17.064 0.000 1.057 0.000 3/36300 550.0 21.925 17.522 16.733 0.000 1.036 0.000 3/36300 560.0 21.507 17.186 16.415 0.000 1.016 0.000 3/36300 570.0 21.105 16.863 16.109 0.000 0.997 0.000 3/36300 580.0 20.718 16.552 15.815 0.000 0.979 0.000 3/36300 590.0 20.345 16.253 15.532 0.000 0.961 0.000 3/36300 600.0 19.986 15.964 15.258 0.000 0.944 0.000 3/36300 610.0 19.640 15.686 14.995 0.000 0.928 0.000 3/36300 620.0 19.305 15.418 14.740 0.000 0.912 0.000 3/36300 630.0 18.982 15.159 14.495 0.000 0.896 0.000 3/36300 640.0 18.670 14.908 14.257 0.000 0.882 0.000 3/36300 650.0 18.369 14.666 14.027 0.000 0.867 0.000 3/36300 660.0 18.077 14.432 13.805 0.000 0.853 0.000 3/36300 670.0 17.794 14.206 13.590 0.000 0.840 0.000 3/36300 680.0 17.521 13.986 13.382 0.000 0.827 0.000 3/36300 690.0 17.256 13.774 13.180 0.000 0.814 0.000 3/36300 700.0 16.998 13.568 12.984 0.000 0.802 0.000 3/36300 710.0 16.749 13.368 12.794 0.000 0.790 0.000 3/36300 720.0 16.507 13.174 12.609 0.000 0.779 0.000 3/36300 730.0 16.272 12.985 12.430 0.000 0.768 0.000 3/36300 740.0 16.044 12.803 12.256 0.000 0.757 0.000 3/36300 750.0 15.822 12.625 12.087 0.000 0.746 0.000 3/36300 760.0 15.606 12.452 11.922 0.000 0.736 0.000 3/36300 770.0 15.396 12.284 11.762 0.000 0.726 0.000 3/36300 780.0 15.192 12.121 11.607 0.000 0.717 0.000 3/36300 790.0 14.993 11.961 11.455 0.000 0.707 0.000 3/36300 800.0 14.800 11.807 11.308 0.000 0.698 0.000 3/36300 810.0 14.611 11.656 11.164 0.000 0.689 0.000 3/36300 820.0 14.427 11.509 11.024 0.000 0.680 0.000 3/36300 830.0 14.248 11.365 10.887 0.000 0.672 0.000 3/36300 840.0 14.074 11.226 10.754 0.000 0.664 0.000 3/36300 850.0 13.903 11.089 10.624 0.000 0.656 0.000 3/36300 860.0 13.737 10.956 10.497 0.000 0.648 0.000 3/36300 870.0 13.575 10.827 10.374 0.000 0.640 0.000 3/36300 880.0 13.417 10.700 10.253 0.000 0.633 0.000 3/36300 890.0 13.262 10.576 10.135 0.000 0.625 0.000 3/36300 900.0 13.111 10.455 10.019 0.000 0.618 0.000 3/36300 910.0 12.963 10.337 9.907 0.000 0.611 0.000 3/36300 920.0 12.819 10.222 9.797 0.000 0.604 0.000 3/36300 930.0 12.678 10.109 9.689 0.000 0.598 0.000 3/36300 940.0 12.540 9.999 9.584 0.000 0.591 0.000 3/36300 950.0 12.405 9.891 9.480 0.000 0.585 0.000 3/36300 960.0 12.272 9.785 9.380 0.000 0.578 0.000 3/36300 970.0 12.143 9.682 9.281 0.000 0.572 0.000 3/36300 980.0 12.017 9.581 9.184 0.000 0.566 0.000 3/36300 990.0 11.893 9.482 9.090 0.000 0.560 0.000 3/36300 1000.0 11.771 9.385 8.997 0.000 0.555 0.000 3/36300 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:02:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|