----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:09:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -3.264462590431643 0.000000000000000 7.507789355654811 Atomic positions (fractional): *1 Na 0.88885252593044 0.86378457327286 0.31754727668550 22.990 *2 Na 0.44825978350061 0.84855746049784 0.08811588615882 22.990 3 Na 0.44825978350061 0.65144253950216 0.58811588615882 22.990 4 Na 0.55174021649939 0.15144253950216 0.91188411384118 22.990 *5 Na 0.31173591549646 0.98484057020561 0.46663238537243 22.990 6 Na 0.88885252593044 0.63621542672714 0.81754727668550 22.990 7 Na 0.11114747406956 0.13621542672714 0.68245272331450 22.990 8 Na 0.68826408450354 0.01515942979439 0.53336761462757 22.990 9 Na 0.11114747406956 0.36378457327286 0.18245272331450 22.990 10 Na 0.31173591549646 0.51515942979439 0.96663238537243 22.990 11 Na 0.68826408450354 0.48484057020561 0.03336761462758 22.990 12 Na 0.55174021649939 0.34855746049784 0.41188411384118 22.990 *13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 14 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 *15 S 0.86013953619579 0.30582338868658 0.77671795189769 32.065 16 S 0.86013953619579 0.19417661131342 0.27671795189769 32.065 *17 S 0.66185545331905 0.64749162573558 0.34527358557832 32.065 18 S 0.13986046380421 0.69417661131342 0.22328204810231 32.065 19 S 0.33814454668095 0.14749162573558 0.15472641442168 32.065 20 S 0.13986046380421 0.80582338868658 0.72328204810231 32.065 21 S 0.33814454668095 0.35250837426442 0.65472641442168 32.065 22 S 0.66185545331905 0.85250837426442 0.84527358557832 32.065 *23 O 0.53626328034710 0.89639557547899 0.67790898602605 15.999 *24 O 0.70996419665703 0.25635115704163 0.18143358221029 15.999 25 O 0.53626328034710 0.60360442452101 0.17790898602605 15.999 26 O 0.46373671965290 0.39639557547899 0.82209101397395 15.999 *27 O 0.35474168482493 0.41682793605515 0.49874421249166 15.999 28 O 0.70996419665703 0.24364884295837 0.68143358221029 15.999 *29 O 0.80177120442974 0.59395804510865 0.33133631313563 15.999 *30 O 0.90406407827668 0.10291036560028 0.15621252803945 15.999 31 O 0.09593592172332 0.89708963439972 0.84378747196055 15.999 32 O 0.90406407827668 0.39708963439972 0.65621252803945 15.999 33 O 0.09593592172332 0.60291036560028 0.34378747196055 15.999 34 O 0.46373671965290 0.10360442452101 0.32209101397395 15.999 35 O 0.19822879557026 0.40604195489135 0.66866368686437 15.999 36 O 0.29003580334297 0.74364884295837 0.81856641778971 15.999 *37 O 0.97112948123207 0.18490561327792 0.84512173724699 15.999 38 O 0.64525831517507 0.58317206394485 0.50125578750834 15.999 39 O 0.64525831517507 0.91682793605515 0.00125578750834 15.999 40 O 0.80177120442974 0.90604195489135 0.83133631313563 15.999 *41 O 0.86545733610615 0.10313197506419 0.42871202241731 15.999 *42 O 0.66883694868767 0.69154957243869 0.85908757135844 15.999 43 O 0.86545733610615 0.39686802493581 0.92871202241731 15.999 44 O 0.66883694868767 0.80845042756131 0.35908757135844 15.999 45 O 0.35474168482493 0.08317206394485 0.99874421249166 15.999 46 O 0.29003580334297 0.75635115704163 0.31856641778971 15.999 47 O 0.19822879557026 0.09395804510865 0.16866368686437 15.999 48 O 0.13454266389385 0.89686802493581 0.57128797758269 15.999 49 O 0.33116305131233 0.30845042756130 0.14091242864156 15.999 50 O 0.02887051876793 0.81509438672208 0.15487826275301 15.999 51 O 0.02887051876793 0.68490561327792 0.65487826275301 15.999 52 O 0.13454266389385 0.60313197506419 0.07128797758269 15.999 53 O 0.97112948123207 0.31509438672208 0.34512173724699 15.999 54 O 0.33116305131233 0.19154957243869 0.64091242864156 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -3.264462590431643 0.000000000000000 7.507789355654811 Atomic positions (fractional): *1 Na 0.88885252593044 0.86378457327286 0.31754727668550 22.990 > 1 *2 Na 0.44825978350061 0.84855746049784 0.08811588615882 22.990 > 2 3 Na 0.44825978350061 0.65144253950216 0.58811588615882 22.990 > 3 4 Na 0.55174021649939 0.15144253950216 0.91188411384118 22.990 > 4 *5 Na 0.31173591549646 0.98484057020561 0.46663238537243 22.990 > 5 6 Na 0.88885252593044 0.63621542672714 0.81754727668550 22.990 > 6 7 Na 0.11114747406956 0.13621542672714 0.68245272331450 22.990 > 7 8 Na 0.68826408450354 0.01515942979439 0.53336761462757 22.990 > 8 9 Na 0.11114747406956 0.36378457327286 0.18245272331450 22.990 > 9 10 Na 0.31173591549646 0.51515942979439 0.96663238537243 22.990 > 10 11 Na 0.68826408450354 0.48484057020561 0.03336761462758 22.990 > 11 12 Na 0.55174021649939 0.34855746049784 0.41188411384118 22.990 > 12 *13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 13 14 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 14 *15 S 0.86013953619579 0.30582338868658 0.77671795189769 32.065 > 15 16 S 0.86013953619579 0.19417661131342 0.27671795189769 32.065 > 16 *17 S 0.66185545331905 0.64749162573558 0.34527358557832 32.065 > 17 18 S 0.13986046380421 0.69417661131342 0.22328204810231 32.065 > 18 19 S 0.33814454668095 0.14749162573558 0.15472641442168 32.065 > 19 20 S 0.13986046380421 0.80582338868658 0.72328204810231 32.065 > 20 21 S 0.33814454668095 0.35250837426442 0.65472641442168 32.065 > 21 22 S 0.66185545331905 0.85250837426442 0.84527358557832 32.065 > 22 *23 O 0.53626328034710 0.89639557547899 0.67790898602605 15.999 > 23 *24 O 0.70996419665703 0.25635115704163 0.18143358221029 15.999 > 24 25 O 0.53626328034710 0.60360442452101 0.17790898602605 15.999 > 25 26 O 0.46373671965290 0.39639557547899 0.82209101397395 15.999 > 26 *27 O 0.35474168482493 0.41682793605515 0.49874421249166 15.999 > 27 28 O 0.70996419665703 0.24364884295837 0.68143358221029 15.999 > 28 *29 O 0.80177120442974 0.59395804510865 0.33133631313563 15.999 > 29 *30 O 0.90406407827668 0.10291036560028 0.15621252803945 15.999 > 30 31 O 0.09593592172332 0.89708963439972 0.84378747196055 15.999 > 31 32 O 0.90406407827668 0.39708963439972 0.65621252803945 15.999 > 32 33 O 0.09593592172332 0.60291036560028 0.34378747196055 15.999 > 33 34 O 0.46373671965290 0.10360442452101 0.32209101397395 15.999 > 34 35 O 0.19822879557026 0.40604195489135 0.66866368686437 15.999 > 35 36 O 0.29003580334297 0.74364884295837 0.81856641778971 15.999 > 36 *37 O 0.97112948123207 0.18490561327792 0.84512173724699 15.999 > 37 38 O 0.64525831517507 0.58317206394485 0.50125578750834 15.999 > 38 39 O 0.64525831517507 0.91682793605515 0.00125578750834 15.999 > 39 40 O 0.80177120442974 0.90604195489135 0.83133631313563 15.999 > 40 *41 O 0.86545733610615 0.10313197506419 0.42871202241731 15.999 > 41 *42 O 0.66883694868767 0.69154957243869 0.85908757135844 15.999 > 42 43 O 0.86545733610615 0.39686802493581 0.92871202241731 15.999 > 43 44 O 0.66883694868767 0.80845042756131 0.35908757135844 15.999 > 44 45 O 0.35474168482493 0.08317206394485 0.99874421249166 15.999 > 45 46 O 0.29003580334297 0.75635115704163 0.31856641778971 15.999 > 46 47 O 0.19822879557026 0.09395804510865 0.16866368686437 15.999 > 47 48 O 0.13454266389385 0.89686802493581 0.57128797758269 15.999 > 48 49 O 0.33116305131233 0.30845042756130 0.14091242864156 15.999 > 49 50 O 0.02887051876793 0.81509438672208 0.15487826275301 15.999 > 50 51 O 0.02887051876793 0.68490561327792 0.65487826275301 15.999 > 51 52 O 0.13454266389385 0.60313197506419 0.07128797758269 15.999 > 52 53 O 0.97112948123207 0.31509438672208 0.34512173724699 15.999 > 53 54 O 0.33116305131233 0.19154957243869 0.64091242864156 15.999 > 54 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -6.528925180863286 0.000000000000000 15.015578711309622 Atomic positions (fractional): *1 Na 0.88885252593044 0.86378457327286 0.15877363834275 22.990 > 1 2 Na 0.88885252593044 0.86378457327286 0.65877363834275 22.990 > 1 *3 Na 0.44825978350061 0.84855746049784 0.04405794307941 22.990 > 2 4 Na 0.44825978350061 0.84855746049784 0.54405794307941 22.990 > 2 5 Na 0.44825978350061 0.65144253950216 0.29405794307941 22.990 > 3 6 Na 0.44825978350061 0.65144253950216 0.79405794307941 22.990 > 3 7 Na 0.55174021649939 0.15144253950216 0.45594205692059 22.990 > 4 8 Na 0.55174021649939 0.15144253950216 0.95594205692059 22.990 > 4 *9 Na 0.31173591549646 0.98484057020561 0.23331619268621 22.990 > 5 10 Na 0.31173591549646 0.98484057020561 0.73331619268621 22.990 > 5 11 Na 0.88885252593044 0.63621542672714 0.40877363834275 22.990 > 6 12 Na 0.88885252593044 0.63621542672714 0.90877363834275 22.990 > 6 13 Na 0.11114747406956 0.13621542672714 0.34122636165725 22.990 > 7 14 Na 0.11114747406956 0.13621542672714 0.84122636165725 22.990 > 7 15 Na 0.68826408450354 0.01515942979439 0.26668380731379 22.990 > 8 16 Na 0.68826408450354 0.01515942979439 0.76668380731379 22.990 > 8 17 Na 0.11114747406956 0.36378457327286 0.09122636165725 22.990 > 9 18 Na 0.11114747406956 0.36378457327286 0.59122636165725 22.990 > 9 19 Na 0.31173591549646 0.51515942979439 0.48331619268621 22.990 > 10 20 Na 0.31173591549646 0.51515942979439 0.98331619268621 22.990 > 10 21 Na 0.68826408450354 0.48484057020561 0.01668380731379 22.990 > 11 22 Na 0.68826408450354 0.48484057020561 0.51668380731379 22.990 > 11 23 Na 0.55174021649939 0.34855746049784 0.20594205692059 22.990 > 12 24 Na 0.55174021649939 0.34855746049784 0.70594205692059 22.990 > 12 *25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 13 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 13 27 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 14 28 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 14 *29 S 0.86013953619579 0.30582338868658 0.38835897594884 32.065 > 15 30 S 0.86013953619579 0.30582338868658 0.88835897594884 32.065 > 15 31 S 0.86013953619579 0.19417661131342 0.13835897594884 32.065 > 16 32 S 0.86013953619579 0.19417661131342 0.63835897594884 32.065 > 16 *33 S 0.66185545331905 0.64749162573558 0.17263679278916 32.065 > 17 34 S 0.66185545331905 0.64749162573558 0.67263679278916 32.065 > 17 35 S 0.13986046380421 0.69417661131342 0.11164102405116 32.065 > 18 36 S 0.13986046380421 0.69417661131342 0.61164102405116 32.065 > 18 37 S 0.33814454668095 0.14749162573558 0.07736320721084 32.065 > 19 38 S 0.33814454668095 0.14749162573558 0.57736320721084 32.065 > 19 39 S 0.13986046380421 0.80582338868658 0.36164102405116 32.065 > 20 40 S 0.13986046380421 0.80582338868658 0.86164102405116 32.065 > 20 41 S 0.33814454668095 0.35250837426442 0.32736320721084 32.065 > 21 42 S 0.33814454668095 0.35250837426442 0.82736320721084 32.065 > 21 43 S 0.66185545331905 0.85250837426442 0.42263679278916 32.065 > 22 44 S 0.66185545331905 0.85250837426442 0.92263679278916 32.065 > 22 *45 O 0.53626328034710 0.89639557547899 0.33895449301302 15.999 > 23 46 O 0.53626328034710 0.89639557547899 0.83895449301302 15.999 > 23 *47 O 0.70996419665703 0.25635115704163 0.09071679110515 15.999 > 24 48 O 0.70996419665703 0.25635115704163 0.59071679110515 15.999 > 24 49 O 0.53626328034710 0.60360442452101 0.08895449301302 15.999 > 25 50 O 0.53626328034710 0.60360442452101 0.58895449301302 15.999 > 25 51 O 0.46373671965290 0.39639557547899 0.41104550698698 15.999 > 26 52 O 0.46373671965290 0.39639557547899 0.91104550698698 15.999 > 26 *53 O 0.35474168482493 0.41682793605515 0.24937210624583 15.999 > 27 54 O 0.35474168482493 0.41682793605515 0.74937210624583 15.999 > 27 55 O 0.70996419665703 0.24364884295837 0.34071679110515 15.999 > 28 56 O 0.70996419665703 0.24364884295837 0.84071679110515 15.999 > 28 *57 O 0.80177120442974 0.59395804510865 0.16566815656782 15.999 > 29 58 O 0.80177120442974 0.59395804510865 0.66566815656781 15.999 > 29 *59 O 0.90406407827668 0.10291036560028 0.07810626401973 15.999 > 30 60 O 0.90406407827668 0.10291036560028 0.57810626401973 15.999 > 30 61 O 0.09593592172332 0.89708963439972 0.42189373598027 15.999 > 31 62 O 0.09593592172332 0.89708963439972 0.92189373598027 15.999 > 31 63 O 0.90406407827668 0.39708963439972 0.32810626401973 15.999 > 32 64 O 0.90406407827668 0.39708963439972 0.82810626401973 15.999 > 32 65 O 0.09593592172332 0.60291036560028 0.17189373598027 15.999 > 33 66 O 0.09593592172332 0.60291036560028 0.67189373598027 15.999 > 33 67 O 0.46373671965290 0.10360442452101 0.16104550698698 15.999 > 34 68 O 0.46373671965290 0.10360442452101 0.66104550698698 15.999 > 34 69 O 0.19822879557026 0.40604195489135 0.33433184343219 15.999 > 35 70 O 0.19822879557026 0.40604195489135 0.83433184343219 15.999 > 35 71 O 0.29003580334297 0.74364884295837 0.40928320889485 15.999 > 36 72 O 0.29003580334297 0.74364884295837 0.90928320889485 15.999 > 36 *73 O 0.97112948123207 0.18490561327792 0.42256086862350 15.999 > 37 74 O 0.97112948123207 0.18490561327792 0.92256086862350 15.999 > 37 75 O 0.64525831517507 0.58317206394485 0.25062789375417 15.999 > 38 76 O 0.64525831517507 0.58317206394485 0.75062789375417 15.999 > 38 77 O 0.64525831517507 0.91682793605515 0.00062789375417 15.999 > 39 78 O 0.64525831517507 0.91682793605515 0.50062789375417 15.999 > 39 79 O 0.80177120442974 0.90604195489135 0.41566815656781 15.999 > 40 80 O 0.80177120442974 0.90604195489135 0.91566815656781 15.999 > 40 *81 O 0.86545733610615 0.10313197506419 0.21435601120865 15.999 > 41 82 O 0.86545733610615 0.10313197506419 0.71435601120865 15.999 > 41 *83 O 0.66883694868767 0.69154957243869 0.42954378567922 15.999 > 42 84 O 0.66883694868767 0.69154957243869 0.92954378567922 15.999 > 42 85 O 0.86545733610615 0.39686802493581 0.46435601120865 15.999 > 43 86 O 0.86545733610615 0.39686802493581 0.96435601120865 15.999 > 43 87 O 0.66883694868767 0.80845042756131 0.17954378567922 15.999 > 44 88 O 0.66883694868767 0.80845042756131 0.67954378567922 15.999 > 44 89 O 0.35474168482493 0.08317206394485 0.49937210624583 15.999 > 45 90 O 0.35474168482493 0.08317206394485 0.99937210624583 15.999 > 45 91 O 0.29003580334297 0.75635115704163 0.15928320889485 15.999 > 46 92 O 0.29003580334297 0.75635115704163 0.65928320889485 15.999 > 46 93 O 0.19822879557026 0.09395804510865 0.08433184343218 15.999 > 47 94 O 0.19822879557026 0.09395804510865 0.58433184343219 15.999 > 47 95 O 0.13454266389385 0.89686802493581 0.28564398879135 15.999 > 48 96 O 0.13454266389385 0.89686802493581 0.78564398879135 15.999 > 48 97 O 0.33116305131233 0.30845042756130 0.07045621432078 15.999 > 49 98 O 0.33116305131233 0.30845042756130 0.57045621432078 15.999 > 49 99 O 0.02887051876793 0.81509438672208 0.07743913137650 15.999 > 50 100 O 0.02887051876793 0.81509438672208 0.57743913137650 15.999 > 50 101 O 0.02887051876793 0.68490561327792 0.32743913137650 15.999 > 51 102 O 0.02887051876793 0.68490561327792 0.82743913137650 15.999 > 51 103 O 0.13454266389385 0.60313197506419 0.03564398879134 15.999 > 52 104 O 0.13454266389385 0.60313197506419 0.53564398879135 15.999 > 52 105 O 0.97112948123207 0.31509438672208 0.17256086862350 15.999 > 53 106 O 0.97112948123207 0.31509438672208 0.67256086862350 15.999 > 53 107 O 0.33116305131233 0.19154957243869 0.32045621432078 15.999 > 54 108 O 0.33116305131233 0.19154957243869 0.82045621432078 15.999 > 54 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3098327 0.0000000 -0.0013795 0.0000000 2.3158710 0.0000000 -0.0013800 0.0000000 2.3196958 -------------------------- Born effective charges -------------------------- 1 Na 1.0479102 0.0351627 -0.0005574 0.0297640 1.1295198 -0.0286180 0.1153085 -0.0692121 1.0847509 2 Na 1.1866752 -0.0472674 0.0639712 -0.0791092 1.0608558 -0.1134441 0.0041816 -0.0546315 1.0487274 3 Na 1.1866752 0.0472674 0.0639712 0.0791092 1.0608558 0.1134441 0.0041816 0.0546315 1.0487274 4 Na 1.1866752 -0.0472674 0.0639712 -0.0791092 1.0608558 -0.1134441 0.0041816 -0.0546315 1.0487274 5 Na 1.0470395 0.0912944 -0.0076599 0.0480605 1.2005979 0.0292652 -0.0716263 -0.0405609 1.1945031 6 Na 1.0479102 -0.0351627 -0.0005574 -0.0297640 1.1295198 0.0286180 0.1153085 0.0692121 1.0847509 7 Na 1.0479102 0.0351627 -0.0005574 0.0297640 1.1295198 -0.0286180 0.1153085 -0.0692121 1.0847509 8 Na 1.0470395 0.0912944 -0.0076599 0.0480605 1.2005979 0.0292652 -0.0716263 -0.0405609 1.1945031 9 Na 1.0479102 -0.0351627 -0.0005574 -0.0297640 1.1295198 0.0286180 0.1153085 0.0692121 1.0847509 10 Na 1.0470395 -0.0912944 -0.0076599 -0.0480605 1.2005979 -0.0292652 -0.0716263 0.0405609 1.1945031 11 Na 1.0470395 -0.0912944 -0.0076599 -0.0480605 1.2005979 -0.0292652 -0.0716263 0.0405609 1.1945031 12 Na 1.1866752 0.0472674 0.0639712 0.0791092 1.0608558 0.1134441 0.0041816 0.0546315 1.0487274 13 Mg 2.3696658 -0.1100632 0.1948928 -0.0529710 2.4896372 0.0587643 -0.2450776 -0.0053949 2.1828841 14 Mg 2.3696658 0.1100632 0.1948928 0.0529710 2.4896372 -0.0587643 -0.2450776 0.0053949 2.1828841 15 S 3.1740462 0.1202329 -0.2023250 -0.0262442 3.3337188 -0.1350683 -0.0593319 -0.1672488 3.3694509 16 S 3.1740462 -0.1202329 -0.2023250 0.0262442 3.3337188 0.1350683 -0.0593319 0.1672488 3.3694509 17 S 3.2741406 -0.0444971 0.0359732 -0.0388590 3.0184244 0.0094319 0.0886255 -0.1418019 3.1719131 18 S 3.1740462 0.1202329 -0.2023250 -0.0262442 3.3337188 -0.1350683 -0.0593319 -0.1672488 3.3694509 19 S 3.2741406 0.0444971 0.0359732 0.0388590 3.0184244 -0.0094319 0.0886255 0.1418019 3.1719131 20 S 3.1740462 -0.1202329 -0.2023250 0.0262442 3.3337188 0.1350683 -0.0593319 0.1672488 3.3694509 21 S 3.2741406 -0.0444971 0.0359732 -0.0388590 3.0184244 0.0094319 0.0886255 -0.1418019 3.1719131 22 S 3.2741406 0.0444971 0.0359732 0.0388590 3.0184244 -0.0094319 0.0886255 0.1418019 3.1719131 23 O -1.2449659 0.1215155 -0.5319296 0.1484440 -1.0374477 0.2371180 -0.4482130 0.2182045 -1.7624015 24 O -1.5933551 0.3572020 -0.4142330 0.3058065 -1.1102559 0.1839976 -0.4168174 0.1783085 -1.2508175 25 O -1.2449659 -0.1215155 -0.5319296 -0.1484440 -1.0374477 -0.2371180 -0.4482130 -0.2182045 -1.7624015 26 O -1.2449659 -0.1215155 -0.5319296 -0.1484440 -1.0374477 -0.2371180 -0.4482130 -0.2182045 -1.7624015 27 O -1.2052917 -0.1903785 0.3748287 -0.1838698 -1.0739543 0.2857341 0.3901005 0.3543203 -1.5639467 28 O -1.5933551 -0.3572020 -0.4142330 -0.3058065 -1.1102559 -0.1839976 -0.4168174 -0.1783085 -1.2508175 29 O -2.1310921 0.4389170 -0.0754557 0.4254955 -1.1338488 0.0152193 -0.0883676 0.0566267 -1.0426822 30 O -1.4347693 0.4950515 0.5630759 0.4841833 -1.4515103 -0.5059194 0.5883946 -0.5251188 -1.5066950 31 O -1.4347693 0.4950515 0.5630759 0.4841833 -1.4515103 -0.5059194 0.5883946 -0.5251188 -1.5066950 32 O -1.4347693 -0.4950515 0.5630759 -0.4841833 -1.4515103 0.5059194 0.5883946 0.5251188 -1.5066950 33 O -1.4347693 -0.4950515 0.5630759 -0.4841833 -1.4515103 0.5059194 0.5883946 0.5251188 -1.5066950 34 O -1.2449659 0.1215155 -0.5319296 0.1484440 -1.0374477 0.2371180 -0.4482130 0.2182045 -1.7624015 35 O -2.1310921 0.4389170 -0.0754557 0.4254955 -1.1338488 0.0152193 -0.0883676 0.0566267 -1.0426822 36 O -1.5933551 0.3572020 -0.4142330 0.3058065 -1.1102559 0.1839976 -0.4168174 0.1783085 -1.2508175 37 O -1.3268951 0.4768754 -0.2069766 0.5406949 -1.8287723 0.4552663 -0.2143715 0.4768162 -1.2336484 38 O -1.2052917 -0.1903785 0.3748287 -0.1838698 -1.0739543 0.2857341 0.3901005 0.3543203 -1.5639467 39 O -1.2052917 0.1903785 0.3748287 0.1838698 -1.0739543 -0.2857341 0.3901005 -0.3543203 -1.5639467 40 O -2.1310921 -0.4389170 -0.0754557 -0.4254955 -1.1338488 -0.0152193 -0.0883676 -0.0566267 -1.0426822 41 O -1.0127264 -0.2006376 0.3189704 -0.1923362 -1.3483576 0.4343100 0.2426056 0.4631025 -1.6241334 42 O -0.9655489 -0.0014249 -0.0151286 0.0306571 -2.0037884 0.1089111 -0.0079499 0.0188578 -0.9764628 43 O -1.0127264 0.2006376 0.3189704 0.1923362 -1.3483576 -0.4343100 0.2426056 -0.4631025 -1.6241334 44 O -0.9655489 0.0014249 -0.0151286 -0.0306571 -2.0037884 -0.1089111 -0.0079499 -0.0188578 -0.9764628 45 O -1.2052917 0.1903785 0.3748287 0.1838698 -1.0739543 -0.2857341 0.3901005 -0.3543203 -1.5639467 46 O -1.5933551 -0.3572020 -0.4142330 -0.3058065 -1.1102559 -0.1839976 -0.4168174 -0.1783085 -1.2508175 47 O -2.1310921 -0.4389170 -0.0754557 -0.4254955 -1.1338488 -0.0152193 -0.0883676 -0.0566267 -1.0426822 48 O -1.0127264 -0.2006376 0.3189704 -0.1923362 -1.3483576 0.4343100 0.2426056 0.4631025 -1.6241334 49 O -0.9655489 -0.0014249 -0.0151286 0.0306571 -2.0037884 0.1089111 -0.0079499 0.0188578 -0.9764628 50 O -1.3268951 0.4768754 -0.2069766 0.5406949 -1.8287723 0.4552663 -0.2143715 0.4768162 -1.2336484 51 O -1.3268951 -0.4768754 -0.2069766 -0.5406949 -1.8287723 -0.4552663 -0.2143715 -0.4768162 -1.2336484 52 O -1.0127264 0.2006376 0.3189704 0.1923362 -1.3483576 -0.4343100 0.2426056 -0.4631025 -1.6241334 53 O -1.3268951 -0.4768754 -0.2069766 -0.5406949 -1.8287723 -0.4552663 -0.2143715 -0.4768162 -1.2336484 54 O -0.9655489 0.0014249 -0.0151286 -0.0306571 -2.0037884 -0.1089111 -0.0079499 -0.0188578 -0.9764628 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6687 Number of blocks in projector: 6687 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: 1459 Use submatrix version of eigh solver. (1) Block: 500 / 1459 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1459 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1459 / 1459 (1) 435 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1459 Use submatrix version of eigh solver. (1) Block: 500 / 1459 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1459 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1459 / 1459 (1) 435 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1459 Use submatrix version of eigh solver. (1) Block: 500 / 1459 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1459 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1459 / 1459 (1) 443 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 770 / 770 (1) 256 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 770 / 770 (1) 256 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 770 / 770 (1) 256 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6687, 6562), data: False |-- (770, 756), data: False |-- (770, 14), data: (770, 28) @ (28, 14) |-- (270, 256), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (770, 756), data: False |-- (770, 14), data: (770, 28) @ (28, 14) |-- (270, 256), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (770, 756), data: False |-- (770, 14), data: (770, 28) @ (28, 14) |-- (270, 256), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1459, 1432), data: False |-- (1459, 39), data: (1459, 66) @ (66, 39) |-- (459, 443), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1459, 1431), data: False |-- (1459, 50), data: (1459, 78) @ (78, 50) |-- (459, 435), data: True |-- (500, 474), data: False |-- (500, 19), data: (500, 45) @ (45, 19) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (1459, 1431), data: False |-- (1459, 50), data: (1459, 78) @ (78, 50) |-- (459, 435), data: True |-- (500, 474), data: False |-- (500, 19), data: (500, 45) @ (45, 19) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.018 Solver_block: 100 / 1680 - Time: 3.375 Solver_block: 200 / 1680 - Time: 2.149 Solver_block: 300 / 1680 - Time: 3.249 Solver_block: 400 / 1680 - Time: 2.935 Solver_block: 500 / 1680 - Time: 1.987 Solver_block: 600 / 1680 - Time: 2.757 Solver_block: 700 / 1680 - Time: 2.084 Solver_block: 800 / 1680 - Time: 2.531 Solver_block: 900 / 1680 - Time: 1.854 Solver_block: 1000 / 1680 - Time: 2.259 Solver_block: 1100 / 1680 - Time: 2.818 Solver_block: 1200 / 1680 - Time: 3.231 Solver_block: 1300 / 1680 - Time: 4.495 Solver_block: 1400 / 1680 - Time: 4.706 Solver_block: 1500 / 1680 - Time: 3.819 Solver_block: 1600 / 1680 - Time: 4.062 Solver_block: 1680 / 1680 - Time: 3.353 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 53.312 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6687 Number of blocks in projector: 6687 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: 1459 Use submatrix version of eigh solver. (1) Block: 500 / 1459 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1459 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1459 / 1459 (1) 435 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1459 Use submatrix version of eigh solver. (1) Block: 500 / 1459 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1459 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1459 / 1459 (1) 435 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1459 Use submatrix version of eigh solver. (1) Block: 500 / 1459 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1459 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1459 / 1459 (1) 443 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 770 / 770 (1) 256 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 770 / 770 (1) 256 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 770 Use submatrix version of eigh solver. (1) Block: 500 / 770 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 770 / 770 (1) 256 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6687, 6562), data: False |-- (770, 756), data: False |-- (770, 14), data: (770, 28) @ (28, 14) |-- (270, 256), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (770, 756), data: False |-- (770, 14), data: (770, 28) @ (28, 14) |-- (270, 256), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (770, 756), data: False |-- (770, 14), data: (770, 28) @ (28, 14) |-- (270, 256), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1459, 1432), data: False |-- (1459, 39), data: (1459, 66) @ (66, 39) |-- (459, 443), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1459, 1431), data: False |-- (1459, 50), data: (1459, 78) @ (78, 50) |-- (459, 435), data: True |-- (500, 474), data: False |-- (500, 19), data: (500, 45) @ (45, 19) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (1459, 1431), data: False |-- (1459, 50), data: (1459, 78) @ (78, 50) |-- (459, 435), data: True |-- (500, 474), data: False |-- (500, 19), data: (500, 45) @ (45, 19) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:12:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:12:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -3.264462590431643 0.000000000000000 7.507789355654811 Atomic positions (fractional): 1 Na 0.88885252593044 0.86378457327286 0.31754727668550 22.990 2 Na 0.44825978350061 0.84855746049784 0.08811588615882 22.990 3 Na 0.44825978350061 0.65144253950216 0.58811588615882 22.990 4 Na 0.55174021649939 0.15144253950216 0.91188411384118 22.990 5 Na 0.31173591549646 0.98484057020561 0.46663238537243 22.990 6 Na 0.88885252593044 0.63621542672714 0.81754727668550 22.990 7 Na 0.11114747406956 0.13621542672714 0.68245272331450 22.990 8 Na 0.68826408450354 0.01515942979439 0.53336761462757 22.990 9 Na 0.11114747406956 0.36378457327286 0.18245272331450 22.990 10 Na 0.31173591549646 0.51515942979439 0.96663238537243 22.990 11 Na 0.68826408450354 0.48484057020561 0.03336761462758 22.990 12 Na 0.55174021649939 0.34855746049784 0.41188411384118 22.990 13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 14 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 15 S 0.86013953619579 0.30582338868658 0.77671795189769 32.065 16 S 0.86013953619579 0.19417661131342 0.27671795189769 32.065 17 S 0.66185545331905 0.64749162573558 0.34527358557832 32.065 18 S 0.13986046380421 0.69417661131342 0.22328204810231 32.065 19 S 0.33814454668095 0.14749162573558 0.15472641442168 32.065 20 S 0.13986046380421 0.80582338868658 0.72328204810231 32.065 21 S 0.33814454668095 0.35250837426442 0.65472641442168 32.065 22 S 0.66185545331905 0.85250837426442 0.84527358557832 32.065 23 O 0.53626328034710 0.89639557547899 0.67790898602605 15.999 24 O 0.70996419665703 0.25635115704163 0.18143358221029 15.999 25 O 0.53626328034710 0.60360442452101 0.17790898602605 15.999 26 O 0.46373671965290 0.39639557547899 0.82209101397395 15.999 27 O 0.35474168482493 0.41682793605515 0.49874421249166 15.999 28 O 0.70996419665703 0.24364884295837 0.68143358221029 15.999 29 O 0.80177120442974 0.59395804510865 0.33133631313563 15.999 30 O 0.90406407827668 0.10291036560028 0.15621252803945 15.999 31 O 0.09593592172332 0.89708963439972 0.84378747196055 15.999 32 O 0.90406407827668 0.39708963439972 0.65621252803945 15.999 33 O 0.09593592172332 0.60291036560028 0.34378747196055 15.999 34 O 0.46373671965290 0.10360442452101 0.32209101397395 15.999 35 O 0.19822879557026 0.40604195489135 0.66866368686437 15.999 36 O 0.29003580334297 0.74364884295837 0.81856641778971 15.999 37 O 0.97112948123207 0.18490561327792 0.84512173724699 15.999 38 O 0.64525831517507 0.58317206394485 0.50125578750834 15.999 39 O 0.64525831517507 0.91682793605515 0.00125578750834 15.999 40 O 0.80177120442974 0.90604195489135 0.83133631313563 15.999 41 O 0.86545733610615 0.10313197506419 0.42871202241731 15.999 42 O 0.66883694868767 0.69154957243869 0.85908757135844 15.999 43 O 0.86545733610615 0.39686802493581 0.92871202241731 15.999 44 O 0.66883694868767 0.80845042756131 0.35908757135844 15.999 45 O 0.35474168482493 0.08317206394485 0.99874421249166 15.999 46 O 0.29003580334297 0.75635115704163 0.31856641778971 15.999 47 O 0.19822879557026 0.09395804510865 0.16866368686437 15.999 48 O 0.13454266389385 0.89686802493581 0.57128797758269 15.999 49 O 0.33116305131233 0.30845042756130 0.14091242864156 15.999 50 O 0.02887051876793 0.81509438672208 0.15487826275301 15.999 51 O 0.02887051876793 0.68490561327792 0.65487826275301 15.999 52 O 0.13454266389385 0.60313197506419 0.07128797758269 15.999 53 O 0.97112948123207 0.31509438672208 0.34512173724699 15.999 54 O 0.33116305131233 0.19154957243869 0.64091242864156 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -6.528925180863286 0.000000000000000 15.015578711309622 Atomic positions (fractional): 1 Na 0.88885252593044 0.86378457327286 0.15877363834275 22.990 > 1 2 Na 0.88885252593044 0.86378457327286 0.65877363834275 22.990 > 1 3 Na 0.44825978350061 0.84855746049784 0.04405794307941 22.990 > 3 4 Na 0.44825978350061 0.84855746049784 0.54405794307941 22.990 > 3 5 Na 0.44825978350061 0.65144253950216 0.29405794307941 22.990 > 5 6 Na 0.44825978350061 0.65144253950216 0.79405794307941 22.990 > 5 7 Na 0.55174021649939 0.15144253950216 0.45594205692059 22.990 > 7 8 Na 0.55174021649939 0.15144253950216 0.95594205692059 22.990 > 7 9 Na 0.31173591549646 0.98484057020561 0.23331619268621 22.990 > 9 10 Na 0.31173591549646 0.98484057020561 0.73331619268621 22.990 > 9 11 Na 0.88885252593044 0.63621542672714 0.40877363834275 22.990 > 11 12 Na 0.88885252593044 0.63621542672714 0.90877363834275 22.990 > 11 13 Na 0.11114747406956 0.13621542672714 0.34122636165725 22.990 > 13 14 Na 0.11114747406956 0.13621542672714 0.84122636165725 22.990 > 13 15 Na 0.68826408450354 0.01515942979439 0.26668380731379 22.990 > 15 16 Na 0.68826408450354 0.01515942979439 0.76668380731379 22.990 > 15 17 Na 0.11114747406956 0.36378457327286 0.09122636165725 22.990 > 17 18 Na 0.11114747406956 0.36378457327286 0.59122636165725 22.990 > 17 19 Na 0.31173591549646 0.51515942979439 0.48331619268621 22.990 > 19 20 Na 0.31173591549646 0.51515942979439 0.98331619268621 22.990 > 19 21 Na 0.68826408450354 0.48484057020561 0.01668380731379 22.990 > 21 22 Na 0.68826408450354 0.48484057020561 0.51668380731379 22.990 > 21 23 Na 0.55174021649939 0.34855746049784 0.20594205692059 22.990 > 23 24 Na 0.55174021649939 0.34855746049784 0.70594205692059 22.990 > 23 25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 25 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 25 27 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 27 28 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 27 29 S 0.86013953619579 0.30582338868658 0.38835897594884 32.065 > 29 30 S 0.86013953619579 0.30582338868658 0.88835897594884 32.065 > 29 31 S 0.86013953619579 0.19417661131342 0.13835897594884 32.065 > 31 32 S 0.86013953619579 0.19417661131342 0.63835897594884 32.065 > 31 33 S 0.66185545331905 0.64749162573558 0.17263679278916 32.065 > 33 34 S 0.66185545331905 0.64749162573558 0.67263679278916 32.065 > 33 35 S 0.13986046380421 0.69417661131342 0.11164102405116 32.065 > 35 36 S 0.13986046380421 0.69417661131342 0.61164102405116 32.065 > 35 37 S 0.33814454668095 0.14749162573558 0.07736320721084 32.065 > 37 38 S 0.33814454668095 0.14749162573558 0.57736320721084 32.065 > 37 39 S 0.13986046380421 0.80582338868658 0.36164102405116 32.065 > 39 40 S 0.13986046380421 0.80582338868658 0.86164102405116 32.065 > 39 41 S 0.33814454668095 0.35250837426442 0.32736320721084 32.065 > 41 42 S 0.33814454668095 0.35250837426442 0.82736320721084 32.065 > 41 43 S 0.66185545331905 0.85250837426442 0.42263679278916 32.065 > 43 44 S 0.66185545331905 0.85250837426442 0.92263679278916 32.065 > 43 45 O 0.53626328034710 0.89639557547899 0.33895449301302 15.999 > 45 46 O 0.53626328034710 0.89639557547899 0.83895449301302 15.999 > 45 47 O 0.70996419665703 0.25635115704163 0.09071679110515 15.999 > 47 48 O 0.70996419665703 0.25635115704163 0.59071679110515 15.999 > 47 49 O 0.53626328034710 0.60360442452101 0.08895449301302 15.999 > 49 50 O 0.53626328034710 0.60360442452101 0.58895449301302 15.999 > 49 51 O 0.46373671965290 0.39639557547899 0.41104550698698 15.999 > 51 52 O 0.46373671965290 0.39639557547899 0.91104550698698 15.999 > 51 53 O 0.35474168482493 0.41682793605515 0.24937210624583 15.999 > 53 54 O 0.35474168482493 0.41682793605515 0.74937210624583 15.999 > 53 55 O 0.70996419665703 0.24364884295837 0.34071679110515 15.999 > 55 56 O 0.70996419665703 0.24364884295837 0.84071679110515 15.999 > 55 57 O 0.80177120442974 0.59395804510865 0.16566815656782 15.999 > 57 58 O 0.80177120442974 0.59395804510865 0.66566815656781 15.999 > 57 59 O 0.90406407827668 0.10291036560028 0.07810626401973 15.999 > 59 60 O 0.90406407827668 0.10291036560028 0.57810626401973 15.999 > 59 61 O 0.09593592172332 0.89708963439972 0.42189373598027 15.999 > 61 62 O 0.09593592172332 0.89708963439972 0.92189373598027 15.999 > 61 63 O 0.90406407827668 0.39708963439972 0.32810626401973 15.999 > 63 64 O 0.90406407827668 0.39708963439972 0.82810626401973 15.999 > 63 65 O 0.09593592172332 0.60291036560028 0.17189373598027 15.999 > 65 66 O 0.09593592172332 0.60291036560028 0.67189373598027 15.999 > 65 67 O 0.46373671965290 0.10360442452101 0.16104550698698 15.999 > 67 68 O 0.46373671965290 0.10360442452101 0.66104550698698 15.999 > 67 69 O 0.19822879557026 0.40604195489135 0.33433184343219 15.999 > 69 70 O 0.19822879557026 0.40604195489135 0.83433184343219 15.999 > 69 71 O 0.29003580334297 0.74364884295837 0.40928320889485 15.999 > 71 72 O 0.29003580334297 0.74364884295837 0.90928320889485 15.999 > 71 73 O 0.97112948123207 0.18490561327792 0.42256086862350 15.999 > 73 74 O 0.97112948123207 0.18490561327792 0.92256086862350 15.999 > 73 75 O 0.64525831517507 0.58317206394485 0.25062789375417 15.999 > 75 76 O 0.64525831517507 0.58317206394485 0.75062789375417 15.999 > 75 77 O 0.64525831517507 0.91682793605515 0.00062789375417 15.999 > 77 78 O 0.64525831517507 0.91682793605515 0.50062789375417 15.999 > 77 79 O 0.80177120442974 0.90604195489135 0.41566815656781 15.999 > 79 80 O 0.80177120442974 0.90604195489135 0.91566815656781 15.999 > 79 81 O 0.86545733610615 0.10313197506419 0.21435601120865 15.999 > 81 82 O 0.86545733610615 0.10313197506419 0.71435601120865 15.999 > 81 83 O 0.66883694868767 0.69154957243869 0.42954378567922 15.999 > 83 84 O 0.66883694868767 0.69154957243869 0.92954378567922 15.999 > 83 85 O 0.86545733610615 0.39686802493581 0.46435601120865 15.999 > 85 86 O 0.86545733610615 0.39686802493581 0.96435601120865 15.999 > 85 87 O 0.66883694868767 0.80845042756131 0.17954378567922 15.999 > 87 88 O 0.66883694868767 0.80845042756131 0.67954378567922 15.999 > 87 89 O 0.35474168482493 0.08317206394485 0.49937210624583 15.999 > 89 90 O 0.35474168482493 0.08317206394485 0.99937210624583 15.999 > 89 91 O 0.29003580334297 0.75635115704163 0.15928320889485 15.999 > 91 92 O 0.29003580334297 0.75635115704163 0.65928320889485 15.999 > 91 93 O 0.19822879557026 0.09395804510865 0.08433184343218 15.999 > 93 94 O 0.19822879557026 0.09395804510865 0.58433184343219 15.999 > 93 95 O 0.13454266389385 0.89686802493581 0.28564398879135 15.999 > 95 96 O 0.13454266389385 0.89686802493581 0.78564398879135 15.999 > 95 97 O 0.33116305131233 0.30845042756130 0.07045621432078 15.999 > 97 98 O 0.33116305131233 0.30845042756130 0.57045621432078 15.999 > 97 99 O 0.02887051876793 0.81509438672208 0.07743913137650 15.999 > 99 100 O 0.02887051876793 0.81509438672208 0.57743913137650 15.999 > 99 101 O 0.02887051876793 0.68490561327792 0.32743913137650 15.999 > 101 102 O 0.02887051876793 0.68490561327792 0.82743913137650 15.999 > 101 103 O 0.13454266389385 0.60313197506419 0.03564398879134 15.999 > 103 104 O 0.13454266389385 0.60313197506419 0.53564398879135 15.999 > 103 105 O 0.97112948123207 0.31509438672208 0.17256086862350 15.999 > 105 106 O 0.97112948123207 0.31509438672208 0.67256086862350 15.999 > 105 107 O 0.33116305131233 0.19154957243869 0.32045621432078 15.999 > 107 108 O 0.33116305131233 0.19154957243869 0.82045621432078 15.999 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3098327 0.0000000 -0.0013795 0.0000000 2.3158710 0.0000000 -0.0013800 0.0000000 2.3196958 -------------------------- Born effective charges -------------------------- 1 Na 1.0479102 0.0351627 -0.0005574 0.0297640 1.1295198 -0.0286180 0.1153085 -0.0692121 1.0847509 2 Na 1.1866752 -0.0472674 0.0639712 -0.0791092 1.0608558 -0.1134441 0.0041816 -0.0546315 1.0487274 3 Na 1.1866752 0.0472674 0.0639712 0.0791092 1.0608558 0.1134441 0.0041816 0.0546315 1.0487274 4 Na 1.1866752 -0.0472674 0.0639712 -0.0791092 1.0608558 -0.1134441 0.0041816 -0.0546315 1.0487274 5 Na 1.0470395 0.0912944 -0.0076599 0.0480605 1.2005979 0.0292652 -0.0716263 -0.0405609 1.1945031 6 Na 1.0479102 -0.0351627 -0.0005574 -0.0297640 1.1295198 0.0286180 0.1153085 0.0692121 1.0847509 7 Na 1.0479102 0.0351627 -0.0005574 0.0297640 1.1295198 -0.0286180 0.1153085 -0.0692121 1.0847509 8 Na 1.0470395 0.0912944 -0.0076599 0.0480605 1.2005979 0.0292652 -0.0716263 -0.0405609 1.1945031 9 Na 1.0479102 -0.0351627 -0.0005574 -0.0297640 1.1295198 0.0286180 0.1153085 0.0692121 1.0847509 10 Na 1.0470395 -0.0912944 -0.0076599 -0.0480605 1.2005979 -0.0292652 -0.0716263 0.0405609 1.1945031 11 Na 1.0470395 -0.0912944 -0.0076599 -0.0480605 1.2005979 -0.0292652 -0.0716263 0.0405609 1.1945031 12 Na 1.1866752 0.0472674 0.0639712 0.0791092 1.0608558 0.1134441 0.0041816 0.0546315 1.0487274 13 Mg 2.3696658 -0.1100632 0.1948928 -0.0529710 2.4896372 0.0587643 -0.2450776 -0.0053949 2.1828841 14 Mg 2.3696658 0.1100632 0.1948928 0.0529710 2.4896372 -0.0587643 -0.2450776 0.0053949 2.1828841 15 S 3.1740462 0.1202329 -0.2023250 -0.0262442 3.3337188 -0.1350683 -0.0593319 -0.1672488 3.3694509 16 S 3.1740462 -0.1202329 -0.2023250 0.0262442 3.3337188 0.1350683 -0.0593319 0.1672488 3.3694509 17 S 3.2741406 -0.0444971 0.0359732 -0.0388590 3.0184244 0.0094319 0.0886255 -0.1418019 3.1719131 18 S 3.1740462 0.1202329 -0.2023250 -0.0262442 3.3337188 -0.1350683 -0.0593319 -0.1672488 3.3694509 19 S 3.2741406 0.0444971 0.0359732 0.0388590 3.0184244 -0.0094319 0.0886255 0.1418019 3.1719131 20 S 3.1740462 -0.1202329 -0.2023250 0.0262442 3.3337188 0.1350683 -0.0593319 0.1672488 3.3694509 21 S 3.2741406 -0.0444971 0.0359732 -0.0388590 3.0184244 0.0094319 0.0886255 -0.1418019 3.1719131 22 S 3.2741406 0.0444971 0.0359732 0.0388590 3.0184244 -0.0094319 0.0886255 0.1418019 3.1719131 23 O -1.2449659 0.1215155 -0.5319296 0.1484440 -1.0374477 0.2371180 -0.4482130 0.2182045 -1.7624015 24 O -1.5933551 0.3572020 -0.4142330 0.3058065 -1.1102559 0.1839976 -0.4168174 0.1783085 -1.2508175 25 O -1.2449659 -0.1215155 -0.5319296 -0.1484440 -1.0374477 -0.2371180 -0.4482130 -0.2182045 -1.7624015 26 O -1.2449659 -0.1215155 -0.5319296 -0.1484440 -1.0374477 -0.2371180 -0.4482130 -0.2182045 -1.7624015 27 O -1.2052917 -0.1903785 0.3748287 -0.1838698 -1.0739543 0.2857341 0.3901005 0.3543203 -1.5639467 28 O -1.5933551 -0.3572020 -0.4142330 -0.3058065 -1.1102559 -0.1839976 -0.4168174 -0.1783085 -1.2508175 29 O -2.1310921 0.4389170 -0.0754557 0.4254955 -1.1338488 0.0152193 -0.0883676 0.0566267 -1.0426822 30 O -1.4347693 0.4950515 0.5630759 0.4841833 -1.4515103 -0.5059194 0.5883946 -0.5251188 -1.5066950 31 O -1.4347693 0.4950515 0.5630759 0.4841833 -1.4515103 -0.5059194 0.5883946 -0.5251188 -1.5066950 32 O -1.4347693 -0.4950515 0.5630759 -0.4841833 -1.4515103 0.5059194 0.5883946 0.5251188 -1.5066950 33 O -1.4347693 -0.4950515 0.5630759 -0.4841833 -1.4515103 0.5059194 0.5883946 0.5251188 -1.5066950 34 O -1.2449659 0.1215155 -0.5319296 0.1484440 -1.0374477 0.2371180 -0.4482130 0.2182045 -1.7624015 35 O -2.1310921 0.4389170 -0.0754557 0.4254955 -1.1338488 0.0152193 -0.0883676 0.0566267 -1.0426822 36 O -1.5933551 0.3572020 -0.4142330 0.3058065 -1.1102559 0.1839976 -0.4168174 0.1783085 -1.2508175 37 O -1.3268951 0.4768754 -0.2069766 0.5406949 -1.8287723 0.4552663 -0.2143715 0.4768162 -1.2336484 38 O -1.2052917 -0.1903785 0.3748287 -0.1838698 -1.0739543 0.2857341 0.3901005 0.3543203 -1.5639467 39 O -1.2052917 0.1903785 0.3748287 0.1838698 -1.0739543 -0.2857341 0.3901005 -0.3543203 -1.5639467 40 O -2.1310921 -0.4389170 -0.0754557 -0.4254955 -1.1338488 -0.0152193 -0.0883676 -0.0566267 -1.0426822 41 O -1.0127264 -0.2006376 0.3189704 -0.1923362 -1.3483576 0.4343100 0.2426056 0.4631025 -1.6241334 42 O -0.9655489 -0.0014249 -0.0151286 0.0306571 -2.0037884 0.1089111 -0.0079499 0.0188578 -0.9764628 43 O -1.0127264 0.2006376 0.3189704 0.1923362 -1.3483576 -0.4343100 0.2426056 -0.4631025 -1.6241334 44 O -0.9655489 0.0014249 -0.0151286 -0.0306571 -2.0037884 -0.1089111 -0.0079499 -0.0188578 -0.9764628 45 O -1.2052917 0.1903785 0.3748287 0.1838698 -1.0739543 -0.2857341 0.3901005 -0.3543203 -1.5639467 46 O -1.5933551 -0.3572020 -0.4142330 -0.3058065 -1.1102559 -0.1839976 -0.4168174 -0.1783085 -1.2508175 47 O -2.1310921 -0.4389170 -0.0754557 -0.4254955 -1.1338488 -0.0152193 -0.0883676 -0.0566267 -1.0426822 48 O -1.0127264 -0.2006376 0.3189704 -0.1923362 -1.3483576 0.4343100 0.2426056 0.4631025 -1.6241334 49 O -0.9655489 -0.0014249 -0.0151286 0.0306571 -2.0037884 0.1089111 -0.0079499 0.0188578 -0.9764628 50 O -1.3268951 0.4768754 -0.2069766 0.5406949 -1.8287723 0.4552663 -0.2143715 0.4768162 -1.2336484 51 O -1.3268951 -0.4768754 -0.2069766 -0.5406949 -1.8287723 -0.4552663 -0.2143715 -0.4768162 -1.2336484 52 O -1.0127264 0.2006376 0.3189704 0.1923362 -1.3483576 -0.4343100 0.2426056 -0.4631025 -1.6241334 53 O -1.3268951 -0.4768754 -0.2069766 -0.5406949 -1.8287723 -0.4552663 -0.2143715 -0.4768162 -1.2336484 54 O -0.9655489 0.0014249 -0.0151286 -0.0306571 -2.0037884 -0.1089111 -0.0079499 -0.0188578 -0.9764628 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 3, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 29, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 45, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 47, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 53, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 57, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 59, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 83, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:13:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:13:39]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -3.264462590431643 0.000000000000000 7.507789355654811 Atomic positions (fractional): 1 Na 0.88885252593044 0.86378457327286 0.31754727668550 22.990 2 Na 0.44825978350061 0.84855746049784 0.08811588615882 22.990 3 Na 0.44825978350061 0.65144253950216 0.58811588615882 22.990 4 Na 0.55174021649939 0.15144253950216 0.91188411384118 22.990 5 Na 0.31173591549646 0.98484057020561 0.46663238537243 22.990 6 Na 0.88885252593044 0.63621542672714 0.81754727668550 22.990 7 Na 0.11114747406956 0.13621542672714 0.68245272331450 22.990 8 Na 0.68826408450354 0.01515942979439 0.53336761462757 22.990 9 Na 0.11114747406956 0.36378457327286 0.18245272331450 22.990 10 Na 0.31173591549646 0.51515942979439 0.96663238537243 22.990 11 Na 0.68826408450354 0.48484057020561 0.03336761462758 22.990 12 Na 0.55174021649939 0.34855746049784 0.41188411384118 22.990 13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 14 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 15 S 0.86013953619579 0.30582338868658 0.77671795189769 32.065 16 S 0.86013953619579 0.19417661131342 0.27671795189769 32.065 17 S 0.66185545331905 0.64749162573558 0.34527358557832 32.065 18 S 0.13986046380421 0.69417661131342 0.22328204810231 32.065 19 S 0.33814454668095 0.14749162573558 0.15472641442168 32.065 20 S 0.13986046380421 0.80582338868658 0.72328204810231 32.065 21 S 0.33814454668095 0.35250837426442 0.65472641442168 32.065 22 S 0.66185545331905 0.85250837426442 0.84527358557832 32.065 23 O 0.53626328034710 0.89639557547899 0.67790898602605 15.999 24 O 0.70996419665703 0.25635115704163 0.18143358221029 15.999 25 O 0.53626328034710 0.60360442452101 0.17790898602605 15.999 26 O 0.46373671965290 0.39639557547899 0.82209101397395 15.999 27 O 0.35474168482493 0.41682793605515 0.49874421249166 15.999 28 O 0.70996419665703 0.24364884295837 0.68143358221029 15.999 29 O 0.80177120442974 0.59395804510865 0.33133631313563 15.999 30 O 0.90406407827668 0.10291036560028 0.15621252803945 15.999 31 O 0.09593592172332 0.89708963439972 0.84378747196055 15.999 32 O 0.90406407827668 0.39708963439972 0.65621252803945 15.999 33 O 0.09593592172332 0.60291036560028 0.34378747196055 15.999 34 O 0.46373671965290 0.10360442452101 0.32209101397395 15.999 35 O 0.19822879557026 0.40604195489135 0.66866368686437 15.999 36 O 0.29003580334297 0.74364884295837 0.81856641778971 15.999 37 O 0.97112948123207 0.18490561327792 0.84512173724699 15.999 38 O 0.64525831517507 0.58317206394485 0.50125578750834 15.999 39 O 0.64525831517507 0.91682793605515 0.00125578750834 15.999 40 O 0.80177120442974 0.90604195489135 0.83133631313563 15.999 41 O 0.86545733610615 0.10313197506419 0.42871202241731 15.999 42 O 0.66883694868767 0.69154957243869 0.85908757135844 15.999 43 O 0.86545733610615 0.39686802493581 0.92871202241731 15.999 44 O 0.66883694868767 0.80845042756131 0.35908757135844 15.999 45 O 0.35474168482493 0.08317206394485 0.99874421249166 15.999 46 O 0.29003580334297 0.75635115704163 0.31856641778971 15.999 47 O 0.19822879557026 0.09395804510865 0.16866368686437 15.999 48 O 0.13454266389385 0.89686802493581 0.57128797758269 15.999 49 O 0.33116305131233 0.30845042756130 0.14091242864156 15.999 50 O 0.02887051876793 0.81509438672208 0.15487826275301 15.999 51 O 0.02887051876793 0.68490561327792 0.65487826275301 15.999 52 O 0.13454266389385 0.60313197506419 0.07128797758269 15.999 53 O 0.97112948123207 0.31509438672208 0.34512173724699 15.999 54 O 0.33116305131233 0.19154957243869 0.64091242864156 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.800906980062353 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189934820000000 0.000000000000000 c -6.528925180863286 0.000000000000000 15.015578711309622 Atomic positions (fractional): 1 Na 0.88885252593044 0.86378457327286 0.15877363834275 22.990 > 1 2 Na 0.88885252593044 0.86378457327286 0.65877363834275 22.990 > 1 3 Na 0.44825978350061 0.84855746049784 0.04405794307941 22.990 > 3 4 Na 0.44825978350061 0.84855746049784 0.54405794307941 22.990 > 3 5 Na 0.44825978350061 0.65144253950216 0.29405794307941 22.990 > 5 6 Na 0.44825978350061 0.65144253950216 0.79405794307941 22.990 > 5 7 Na 0.55174021649939 0.15144253950216 0.45594205692059 22.990 > 7 8 Na 0.55174021649939 0.15144253950216 0.95594205692059 22.990 > 7 9 Na 0.31173591549646 0.98484057020561 0.23331619268621 22.990 > 9 10 Na 0.31173591549646 0.98484057020561 0.73331619268621 22.990 > 9 11 Na 0.88885252593044 0.63621542672714 0.40877363834275 22.990 > 11 12 Na 0.88885252593044 0.63621542672714 0.90877363834275 22.990 > 11 13 Na 0.11114747406956 0.13621542672714 0.34122636165725 22.990 > 13 14 Na 0.11114747406956 0.13621542672714 0.84122636165725 22.990 > 13 15 Na 0.68826408450354 0.01515942979439 0.26668380731379 22.990 > 15 16 Na 0.68826408450354 0.01515942979439 0.76668380731379 22.990 > 15 17 Na 0.11114747406956 0.36378457327286 0.09122636165725 22.990 > 17 18 Na 0.11114747406956 0.36378457327286 0.59122636165725 22.990 > 17 19 Na 0.31173591549646 0.51515942979439 0.48331619268621 22.990 > 19 20 Na 0.31173591549646 0.51515942979439 0.98331619268621 22.990 > 19 21 Na 0.68826408450354 0.48484057020561 0.01668380731379 22.990 > 21 22 Na 0.68826408450354 0.48484057020561 0.51668380731379 22.990 > 21 23 Na 0.55174021649939 0.34855746049784 0.20594205692059 22.990 > 23 24 Na 0.55174021649939 0.34855746049784 0.70594205692059 22.990 > 23 25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 25 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 25 27 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 27 28 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 27 29 S 0.86013953619579 0.30582338868658 0.38835897594884 32.065 > 29 30 S 0.86013953619579 0.30582338868658 0.88835897594884 32.065 > 29 31 S 0.86013953619579 0.19417661131342 0.13835897594884 32.065 > 31 32 S 0.86013953619579 0.19417661131342 0.63835897594884 32.065 > 31 33 S 0.66185545331905 0.64749162573558 0.17263679278916 32.065 > 33 34 S 0.66185545331905 0.64749162573558 0.67263679278916 32.065 > 33 35 S 0.13986046380421 0.69417661131342 0.11164102405116 32.065 > 35 36 S 0.13986046380421 0.69417661131342 0.61164102405116 32.065 > 35 37 S 0.33814454668095 0.14749162573558 0.07736320721084 32.065 > 37 38 S 0.33814454668095 0.14749162573558 0.57736320721084 32.065 > 37 39 S 0.13986046380421 0.80582338868658 0.36164102405116 32.065 > 39 40 S 0.13986046380421 0.80582338868658 0.86164102405116 32.065 > 39 41 S 0.33814454668095 0.35250837426442 0.32736320721084 32.065 > 41 42 S 0.33814454668095 0.35250837426442 0.82736320721084 32.065 > 41 43 S 0.66185545331905 0.85250837426442 0.42263679278916 32.065 > 43 44 S 0.66185545331905 0.85250837426442 0.92263679278916 32.065 > 43 45 O 0.53626328034710 0.89639557547899 0.33895449301302 15.999 > 45 46 O 0.53626328034710 0.89639557547899 0.83895449301302 15.999 > 45 47 O 0.70996419665703 0.25635115704163 0.09071679110515 15.999 > 47 48 O 0.70996419665703 0.25635115704163 0.59071679110515 15.999 > 47 49 O 0.53626328034710 0.60360442452101 0.08895449301302 15.999 > 49 50 O 0.53626328034710 0.60360442452101 0.58895449301302 15.999 > 49 51 O 0.46373671965290 0.39639557547899 0.41104550698698 15.999 > 51 52 O 0.46373671965290 0.39639557547899 0.91104550698698 15.999 > 51 53 O 0.35474168482493 0.41682793605515 0.24937210624583 15.999 > 53 54 O 0.35474168482493 0.41682793605515 0.74937210624583 15.999 > 53 55 O 0.70996419665703 0.24364884295837 0.34071679110515 15.999 > 55 56 O 0.70996419665703 0.24364884295837 0.84071679110515 15.999 > 55 57 O 0.80177120442974 0.59395804510865 0.16566815656782 15.999 > 57 58 O 0.80177120442974 0.59395804510865 0.66566815656781 15.999 > 57 59 O 0.90406407827668 0.10291036560028 0.07810626401973 15.999 > 59 60 O 0.90406407827668 0.10291036560028 0.57810626401973 15.999 > 59 61 O 0.09593592172332 0.89708963439972 0.42189373598027 15.999 > 61 62 O 0.09593592172332 0.89708963439972 0.92189373598027 15.999 > 61 63 O 0.90406407827668 0.39708963439972 0.32810626401973 15.999 > 63 64 O 0.90406407827668 0.39708963439972 0.82810626401973 15.999 > 63 65 O 0.09593592172332 0.60291036560028 0.17189373598027 15.999 > 65 66 O 0.09593592172332 0.60291036560028 0.67189373598027 15.999 > 65 67 O 0.46373671965290 0.10360442452101 0.16104550698698 15.999 > 67 68 O 0.46373671965290 0.10360442452101 0.66104550698698 15.999 > 67 69 O 0.19822879557026 0.40604195489135 0.33433184343219 15.999 > 69 70 O 0.19822879557026 0.40604195489135 0.83433184343219 15.999 > 69 71 O 0.29003580334297 0.74364884295837 0.40928320889485 15.999 > 71 72 O 0.29003580334297 0.74364884295837 0.90928320889485 15.999 > 71 73 O 0.97112948123207 0.18490561327792 0.42256086862350 15.999 > 73 74 O 0.97112948123207 0.18490561327792 0.92256086862350 15.999 > 73 75 O 0.64525831517507 0.58317206394485 0.25062789375417 15.999 > 75 76 O 0.64525831517507 0.58317206394485 0.75062789375417 15.999 > 75 77 O 0.64525831517507 0.91682793605515 0.00062789375417 15.999 > 77 78 O 0.64525831517507 0.91682793605515 0.50062789375417 15.999 > 77 79 O 0.80177120442974 0.90604195489135 0.41566815656781 15.999 > 79 80 O 0.80177120442974 0.90604195489135 0.91566815656781 15.999 > 79 81 O 0.86545733610615 0.10313197506419 0.21435601120865 15.999 > 81 82 O 0.86545733610615 0.10313197506419 0.71435601120865 15.999 > 81 83 O 0.66883694868767 0.69154957243869 0.42954378567922 15.999 > 83 84 O 0.66883694868767 0.69154957243869 0.92954378567922 15.999 > 83 85 O 0.86545733610615 0.39686802493581 0.46435601120865 15.999 > 85 86 O 0.86545733610615 0.39686802493581 0.96435601120865 15.999 > 85 87 O 0.66883694868767 0.80845042756131 0.17954378567922 15.999 > 87 88 O 0.66883694868767 0.80845042756131 0.67954378567922 15.999 > 87 89 O 0.35474168482493 0.08317206394485 0.49937210624583 15.999 > 89 90 O 0.35474168482493 0.08317206394485 0.99937210624583 15.999 > 89 91 O 0.29003580334297 0.75635115704163 0.15928320889485 15.999 > 91 92 O 0.29003580334297 0.75635115704163 0.65928320889485 15.999 > 91 93 O 0.19822879557026 0.09395804510865 0.08433184343218 15.999 > 93 94 O 0.19822879557026 0.09395804510865 0.58433184343219 15.999 > 93 95 O 0.13454266389385 0.89686802493581 0.28564398879135 15.999 > 95 96 O 0.13454266389385 0.89686802493581 0.78564398879135 15.999 > 95 97 O 0.33116305131233 0.30845042756130 0.07045621432078 15.999 > 97 98 O 0.33116305131233 0.30845042756130 0.57045621432078 15.999 > 97 99 O 0.02887051876793 0.81509438672208 0.07743913137650 15.999 > 99 100 O 0.02887051876793 0.81509438672208 0.57743913137650 15.999 > 99 101 O 0.02887051876793 0.68490561327792 0.32743913137650 15.999 > 101 102 O 0.02887051876793 0.68490561327792 0.82743913137650 15.999 > 101 103 O 0.13454266389385 0.60313197506419 0.03564398879134 15.999 > 103 104 O 0.13454266389385 0.60313197506419 0.53564398879135 15.999 > 103 105 O 0.97112948123207 0.31509438672208 0.17256086862350 15.999 > 105 106 O 0.97112948123207 0.31509438672208 0.67256086862350 15.999 > 105 107 O 0.33116305131233 0.19154957243869 0.32045621432078 15.999 > 107 108 O 0.33116305131233 0.19154957243869 0.82045621432078 15.999 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3098327 0.0000000 -0.0013795 0.0000000 2.3158710 0.0000000 -0.0013800 0.0000000 2.3196958 -------------------------- Born effective charges -------------------------- 1 Na 1.0479102 0.0351627 -0.0005574 0.0297640 1.1295198 -0.0286180 0.1153085 -0.0692121 1.0847509 2 Na 1.1866752 -0.0472674 0.0639712 -0.0791092 1.0608558 -0.1134441 0.0041816 -0.0546315 1.0487274 3 Na 1.1866752 0.0472674 0.0639712 0.0791092 1.0608558 0.1134441 0.0041816 0.0546315 1.0487274 4 Na 1.1866752 -0.0472674 0.0639712 -0.0791092 1.0608558 -0.1134441 0.0041816 -0.0546315 1.0487274 5 Na 1.0470395 0.0912944 -0.0076599 0.0480605 1.2005979 0.0292652 -0.0716263 -0.0405609 1.1945031 6 Na 1.0479102 -0.0351627 -0.0005574 -0.0297640 1.1295198 0.0286180 0.1153085 0.0692121 1.0847509 7 Na 1.0479102 0.0351627 -0.0005574 0.0297640 1.1295198 -0.0286180 0.1153085 -0.0692121 1.0847509 8 Na 1.0470395 0.0912944 -0.0076599 0.0480605 1.2005979 0.0292652 -0.0716263 -0.0405609 1.1945031 9 Na 1.0479102 -0.0351627 -0.0005574 -0.0297640 1.1295198 0.0286180 0.1153085 0.0692121 1.0847509 10 Na 1.0470395 -0.0912944 -0.0076599 -0.0480605 1.2005979 -0.0292652 -0.0716263 0.0405609 1.1945031 11 Na 1.0470395 -0.0912944 -0.0076599 -0.0480605 1.2005979 -0.0292652 -0.0716263 0.0405609 1.1945031 12 Na 1.1866752 0.0472674 0.0639712 0.0791092 1.0608558 0.1134441 0.0041816 0.0546315 1.0487274 13 Mg 2.3696658 -0.1100632 0.1948928 -0.0529710 2.4896372 0.0587643 -0.2450776 -0.0053949 2.1828841 14 Mg 2.3696658 0.1100632 0.1948928 0.0529710 2.4896372 -0.0587643 -0.2450776 0.0053949 2.1828841 15 S 3.1740462 0.1202329 -0.2023250 -0.0262442 3.3337188 -0.1350683 -0.0593319 -0.1672488 3.3694509 16 S 3.1740462 -0.1202329 -0.2023250 0.0262442 3.3337188 0.1350683 -0.0593319 0.1672488 3.3694509 17 S 3.2741406 -0.0444971 0.0359732 -0.0388590 3.0184244 0.0094319 0.0886255 -0.1418019 3.1719131 18 S 3.1740462 0.1202329 -0.2023250 -0.0262442 3.3337188 -0.1350683 -0.0593319 -0.1672488 3.3694509 19 S 3.2741406 0.0444971 0.0359732 0.0388590 3.0184244 -0.0094319 0.0886255 0.1418019 3.1719131 20 S 3.1740462 -0.1202329 -0.2023250 0.0262442 3.3337188 0.1350683 -0.0593319 0.1672488 3.3694509 21 S 3.2741406 -0.0444971 0.0359732 -0.0388590 3.0184244 0.0094319 0.0886255 -0.1418019 3.1719131 22 S 3.2741406 0.0444971 0.0359732 0.0388590 3.0184244 -0.0094319 0.0886255 0.1418019 3.1719131 23 O -1.2449659 0.1215155 -0.5319296 0.1484440 -1.0374477 0.2371180 -0.4482130 0.2182045 -1.7624015 24 O -1.5933551 0.3572020 -0.4142330 0.3058065 -1.1102559 0.1839976 -0.4168174 0.1783085 -1.2508175 25 O -1.2449659 -0.1215155 -0.5319296 -0.1484440 -1.0374477 -0.2371180 -0.4482130 -0.2182045 -1.7624015 26 O -1.2449659 -0.1215155 -0.5319296 -0.1484440 -1.0374477 -0.2371180 -0.4482130 -0.2182045 -1.7624015 27 O -1.2052917 -0.1903785 0.3748287 -0.1838698 -1.0739543 0.2857341 0.3901005 0.3543203 -1.5639467 28 O -1.5933551 -0.3572020 -0.4142330 -0.3058065 -1.1102559 -0.1839976 -0.4168174 -0.1783085 -1.2508175 29 O -2.1310921 0.4389170 -0.0754557 0.4254955 -1.1338488 0.0152193 -0.0883676 0.0566267 -1.0426822 30 O -1.4347693 0.4950515 0.5630759 0.4841833 -1.4515103 -0.5059194 0.5883946 -0.5251188 -1.5066950 31 O -1.4347693 0.4950515 0.5630759 0.4841833 -1.4515103 -0.5059194 0.5883946 -0.5251188 -1.5066950 32 O -1.4347693 -0.4950515 0.5630759 -0.4841833 -1.4515103 0.5059194 0.5883946 0.5251188 -1.5066950 33 O -1.4347693 -0.4950515 0.5630759 -0.4841833 -1.4515103 0.5059194 0.5883946 0.5251188 -1.5066950 34 O -1.2449659 0.1215155 -0.5319296 0.1484440 -1.0374477 0.2371180 -0.4482130 0.2182045 -1.7624015 35 O -2.1310921 0.4389170 -0.0754557 0.4254955 -1.1338488 0.0152193 -0.0883676 0.0566267 -1.0426822 36 O -1.5933551 0.3572020 -0.4142330 0.3058065 -1.1102559 0.1839976 -0.4168174 0.1783085 -1.2508175 37 O -1.3268951 0.4768754 -0.2069766 0.5406949 -1.8287723 0.4552663 -0.2143715 0.4768162 -1.2336484 38 O -1.2052917 -0.1903785 0.3748287 -0.1838698 -1.0739543 0.2857341 0.3901005 0.3543203 -1.5639467 39 O -1.2052917 0.1903785 0.3748287 0.1838698 -1.0739543 -0.2857341 0.3901005 -0.3543203 -1.5639467 40 O -2.1310921 -0.4389170 -0.0754557 -0.4254955 -1.1338488 -0.0152193 -0.0883676 -0.0566267 -1.0426822 41 O -1.0127264 -0.2006376 0.3189704 -0.1923362 -1.3483576 0.4343100 0.2426056 0.4631025 -1.6241334 42 O -0.9655489 -0.0014249 -0.0151286 0.0306571 -2.0037884 0.1089111 -0.0079499 0.0188578 -0.9764628 43 O -1.0127264 0.2006376 0.3189704 0.1923362 -1.3483576 -0.4343100 0.2426056 -0.4631025 -1.6241334 44 O -0.9655489 0.0014249 -0.0151286 -0.0306571 -2.0037884 -0.1089111 -0.0079499 -0.0188578 -0.9764628 45 O -1.2052917 0.1903785 0.3748287 0.1838698 -1.0739543 -0.2857341 0.3901005 -0.3543203 -1.5639467 46 O -1.5933551 -0.3572020 -0.4142330 -0.3058065 -1.1102559 -0.1839976 -0.4168174 -0.1783085 -1.2508175 47 O -2.1310921 -0.4389170 -0.0754557 -0.4254955 -1.1338488 -0.0152193 -0.0883676 -0.0566267 -1.0426822 48 O -1.0127264 -0.2006376 0.3189704 -0.1923362 -1.3483576 0.4343100 0.2426056 0.4631025 -1.6241334 49 O -0.9655489 -0.0014249 -0.0151286 0.0306571 -2.0037884 0.1089111 -0.0079499 0.0188578 -0.9764628 50 O -1.3268951 0.4768754 -0.2069766 0.5406949 -1.8287723 0.4552663 -0.2143715 0.4768162 -1.2336484 51 O -1.3268951 -0.4768754 -0.2069766 -0.5406949 -1.8287723 -0.4552663 -0.2143715 -0.4768162 -1.2336484 52 O -1.0127264 0.2006376 0.3189704 0.1923362 -1.3483576 -0.4343100 0.2426056 -0.4631025 -1.6241334 53 O -1.3268951 -0.4768754 -0.2069766 -0.5406949 -1.8287723 -0.4552663 -0.2143715 -0.4768162 -1.2336484 54 O -0.9655489 0.0014249 -0.0151286 -0.0306571 -2.0037884 -0.1089111 -0.0079499 -0.0188578 -0.9764628 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 311, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 12.893 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 12.951 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.089 ( 0.000 0.000 0.000) 0.000 13.127 ( 0.000 0.000 0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 13.693 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 13.775 ( 0.000 0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 13.960 ( 0.000 0.000 0.000) 0.000 17.174 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 0.000 0.000) 0.000 17.467 ( 0.000 0.000 0.000) 0.000 17.691 ( 0.000 0.000 0.000) 0.000 17.736 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 17.798 ( 0.000 0.000 0.000) 0.000 17.830 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 17.907 ( 0.000 0.000 0.000) 0.000 17.914 ( 0.000 0.000 0.000) 0.000 18.033 ( 0.000 0.000 0.000) 0.000 18.049 ( 0.000 0.000 0.000) 0.000 18.206 ( 0.000 0.000 0.000) 0.000 18.267 ( 0.000 0.000 0.000) 0.000 18.277 ( 0.000 0.000 0.000) 0.000 18.295 ( 0.000 0.000 0.000) 0.000 18.366 ( 0.000 0.000 0.000) 0.000 18.473 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.598 ( 0.000 0.000 0.000) 0.000 18.604 ( 0.000 0.000 0.000) 0.000 18.724 ( 0.000 0.000 0.000) 0.000 28.543 ( 0.000 0.000 0.000) 0.000 28.564 ( 0.000 0.000 0.000) 0.000 28.573 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.857 ( 0.000 0.000 0.000) 0.000 28.936 ( 0.000 0.000 0.000) 0.000 28.947 ( 0.000 0.000 0.000) 0.000 28.947 ( 0.000 0.000 0.000) 0.000 30.806 ( 0.000 0.000 0.000) 0.000 30.956 ( 0.000 0.000 0.000) 0.000 31.168 ( 0.000 0.000 0.000) 0.000 31.411 ( 0.000 0.000 0.000) 0.000 31.555 ( 0.000 0.000 0.000) 0.000 31.653 ( 0.000 0.000 0.000) 0.000 31.719 ( 0.000 0.000 0.000) 0.000 32.225 ( 0.000 0.000 0.000) 0.000 32.287 ( 0.000 0.000 0.000) 0.000 32.429 ( 0.000 0.000 0.000) 0.000 32.724 ( 0.000 0.000 0.000) 0.000 33.106 ( 0.000 0.000 0.000) 0.000 33.164 ( 0.000 0.000 0.000) 0.000 33.231 ( 0.000 0.000 0.000) 0.000 33.298 ( 0.000 0.000 0.000) 0.000 33.379 ( 0.000 0.000 0.000) 0.000 33.386 ( 0.000 0.000 0.000) 0.000 33.572 ( 0.000 0.000 0.000) 0.000 33.829 ( 0.000 0.000 0.000) 0.000 34.089 ( 0.000 0.000 0.000) 0.000 34.250 ( 0.000 0.000 0.000) 0.000 34.492 ( 0.000 0.000 0.000) 0.000 34.590 ( 0.000 0.000 0.000) 0.000 35.150 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 18.354 0.000 16.754) 24.851 0.464 ( 19.452 0.000 20.335) 28.140 0.993 ( 47.048 0.000 18.871) 50.692 1.344 ( 19.030 0.000 2.172) 19.154 1.894 ( -0.167 0.000 -2.731) 2.736 1.989 ( -7.266 0.000 -2.079) 7.557 2.110 ( -1.875 0.000 8.434) 8.640 2.193 ( 2.580 0.000 1.530) 3.000 2.297 ( 2.030 0.000 0.794) 2.179 2.521 ( -12.147 0.000 -1.709) 12.266 2.604 ( 1.162 0.000 -1.932) 2.254 2.634 ( -3.435 0.000 -3.599) 4.975 2.711 ( 0.769 0.000 2.784) 2.888 2.749 ( 2.487 0.000 -3.442) 4.247 2.885 ( 4.196 0.000 0.756) 4.264 2.885 ( -1.185 0.000 -0.361) 1.239 2.938 ( -3.223 0.000 -0.839) 3.331 3.023 ( -4.172 0.000 -7.102) 8.237 3.103 ( -0.724 0.000 -4.138) 4.200 3.190 ( -3.404 0.000 -4.584) 5.710 3.271 ( 1.226 0.000 -0.872) 1.505 3.287 ( 4.568 0.000 -1.336) 4.759 3.359 ( -3.896 0.000 1.941) 4.353 3.372 ( -11.031 0.000 -1.501) 11.133 3.514 ( 3.650 0.000 5.477) 6.582 3.676 ( -5.814 0.000 -0.877) 5.880 3.750 ( -0.926 0.000 -7.693) 7.749 3.786 ( 1.028 0.000 -0.769) 1.284 3.863 ( 1.033 0.000 5.759) 5.850 3.951 ( 5.541 0.000 -3.428) 6.516 3.957 ( 5.899 0.000 1.852) 6.183 4.005 ( -1.949 0.000 -0.492) 2.010 4.073 ( 8.440 0.000 9.608) 12.788 4.128 ( -8.222 0.000 5.692) 10.000 4.159 ( -0.984 0.000 5.016) 5.112 4.165 ( -2.220 0.000 5.563) 5.989 4.250 ( -2.721 0.000 1.362) 3.043 4.298 ( 1.452 0.000 4.685) 4.904 4.353 ( -0.319 0.000 3.420) 3.434 4.409 ( -2.983 0.000 -6.324) 6.992 4.524 ( 2.545 0.000 1.517) 2.962 4.583 ( -6.389 0.000 -3.781) 7.424 4.610 ( 9.655 0.000 0.399) 9.663 4.632 ( 2.075 0.000 -3.508) 4.076 4.667 ( 2.046 0.000 1.374) 2.465 4.768 ( 1.625 0.000 -0.200) 1.637 4.935 ( -3.797 0.000 1.163) 3.971 5.028 ( -7.900 0.000 -3.698) 8.723 5.071 ( -0.568 0.000 -1.115) 1.251 5.138 ( 4.272 0.000 -10.002) 10.876 5.224 ( 5.614 0.000 -0.285) 5.621 5.292 ( 2.582 0.000 -0.115) 2.585 5.391 ( -3.188 0.000 -2.033) 3.781 5.399 ( -2.052 0.000 -1.829) 2.749 5.426 ( 3.291 0.000 -0.108) 3.293 5.610 ( -3.741 0.000 -1.251) 3.944 5.615 ( 1.817 0.000 -0.642) 1.927 5.641 ( 2.035 0.000 2.984) 3.612 5.706 ( 0.023 0.000 -0.556) 0.557 5.833 ( -3.280 0.000 5.267) 6.205 5.939 ( 0.789 0.000 -1.089) 1.345 5.947 ( 2.896 0.000 3.032) 4.193 6.023 ( 0.095 0.000 -0.109) 0.145 6.031 ( -0.808 0.000 -3.808) 3.893 6.173 ( -0.342 0.000 -2.282) 2.308 6.180 ( -1.667 0.000 -4.122) 4.446 6.264 ( -2.376 0.000 2.565) 3.496 6.405 ( 0.079 0.000 2.060) 2.062 6.410 ( -0.793 0.000 -1.896) 2.055 6.447 ( -5.215 0.000 0.211) 5.220 6.470 ( -3.958 0.000 -0.854) 4.049 6.502 ( -4.211 0.000 6.055) 7.375 6.608 ( 0.267 0.000 -0.469) 0.540 6.731 ( 1.930 0.000 3.880) 4.333 6.801 ( -3.371 0.000 -0.817) 3.468 7.050 ( 7.783 0.000 -1.968) 8.028 7.179 ( 0.511 0.000 1.405) 1.495 7.398 ( -3.354 0.000 -1.415) 3.641 7.516 ( -0.390 0.000 -0.373) 0.540 7.568 ( 4.764 0.000 0.615) 4.804 7.586 ( -0.759 0.000 -2.319) 2.440 7.763 ( 3.103 0.000 1.741) 3.558 7.807 ( -0.171 0.000 -0.188) 0.254 8.156 ( -1.940 0.000 14.122) 14.255 8.369 ( 0.318 0.000 -0.109) 0.336 9.038 ( 7.272 0.000 -18.131) 19.535 9.615 ( -0.609 0.000 1.722) 1.826 9.977 ( -2.609 0.000 -0.806) 2.730 10.249 ( 0.561 0.000 -0.568) 0.798 10.804 ( -4.526 0.000 -1.220) 4.687 12.774 ( -1.815 0.000 -0.651) 1.928 12.877 ( -0.744 0.000 0.086) 0.749 12.899 ( 0.389 0.000 0.034) 0.390 12.938 ( 1.332 0.000 -0.066) 1.333 12.957 ( 0.303 0.000 -0.254) 0.396 13.031 ( -1.281 0.000 0.165) 1.292 13.118 ( -0.925 0.000 -0.365) 0.994 13.126 ( 2.339 0.000 0.720) 2.447 13.535 ( -0.228 0.000 -0.445) 0.500 13.649 ( -1.820 0.000 -0.952) 2.054 13.677 ( -0.128 0.000 -0.339) 0.363 13.700 ( 0.284 0.000 0.327) 0.433 13.750 ( 0.627 0.000 0.289) 0.691 13.796 ( 0.211 0.000 0.528) 0.568 13.802 ( 0.505 0.000 -0.175) 0.534 13.945 ( -1.490 0.000 -0.504) 1.573 17.172 ( -0.045 0.000 -0.450) 0.452 17.250 ( -2.917 0.000 6.070) 6.734 17.353 ( -0.225 0.000 -0.077) 0.238 17.468 ( -0.006 0.000 0.192) 0.192 17.693 ( 0.252 0.000 0.190) 0.315 17.744 ( 0.807 0.000 0.189) 0.829 17.764 ( -0.249 0.000 -0.045) 0.253 17.819 ( -0.913 0.000 -0.596) 1.090 17.836 ( -2.001 0.000 -2.078) 2.885 17.898 ( -1.089 0.000 -0.850) 1.382 17.915 ( -0.629 0.000 1.562) 1.683 17.982 ( -4.659 0.000 8.551) 9.738 18.035 ( 0.324 0.000 -0.675) 0.748 18.054 ( 0.385 0.000 -0.005) 0.385 18.219 ( -2.322 0.000 -5.892) 6.333 18.224 ( 1.418 0.000 1.068) 1.775 18.307 ( 1.830 0.000 2.347) 2.976 18.383 ( 0.812 0.000 -0.676) 1.057 18.412 ( 6.958 0.000 -7.232) 10.035 18.483 ( 0.655 0.000 0.699) 0.958 18.543 ( 0.241 0.000 2.081) 2.095 18.544 ( -2.655 0.000 -0.234) 2.665 18.658 ( 2.677 0.000 0.156) 2.681 18.734 ( 1.188 0.000 -0.128) 1.195 28.537 ( -0.624 0.000 0.148) 0.642 28.568 ( 0.369 0.000 0.010) 0.369 28.573 ( -0.030 0.000 -0.001) 0.030 28.626 ( 1.049 0.000 -0.769) 1.301 28.856 ( -0.031 0.000 -0.157) 0.160 28.931 ( -0.536 0.000 0.169) 0.562 28.945 ( -0.189 0.000 -0.022) 0.190 28.962 ( 0.476 0.000 0.324) 0.576 30.826 ( 1.503 0.000 1.192) 1.918 30.981 ( 2.491 0.000 0.495) 2.540 31.404 ( -0.950 0.000 0.661) 1.157 31.585 ( 3.854 0.000 -1.039) 3.992 31.653 ( 0.059 0.000 -0.176) 0.186 31.743 ( 3.260 0.000 1.251) 3.491 32.256 ( 13.920 0.000 -33.438) 36.220 32.258 ( 3.633 0.000 -0.601) 3.683 32.412 ( -7.944 0.000 12.425) 14.747 32.565 ( -0.217 0.000 1.313) 1.331 32.728 ( 0.385 0.000 0.070) 0.392 33.088 ( -8.157 0.000 -4.595) 9.362 33.092 ( -3.863 0.000 4.347) 5.815 33.294 ( -0.052 0.000 -0.773) 0.775 33.327 ( -8.055 0.000 15.955) 17.873 33.401 ( 1.880 0.000 -4.188) 4.590 33.533 ( 8.976 0.000 4.748) 10.154 33.832 ( 0.007 0.000 0.638) 0.638 34.061 ( -1.802 0.000 -2.403) 3.003 34.257 ( 0.506 0.000 1.250) 1.348 34.492 ( -0.589 0.000 1.312) 1.438 34.610 ( 1.331 0.000 1.954) 2.364 34.670 ( -0.085 0.000 -2.569) 2.570 35.086 ( -6.699 0.000 -1.260) 6.816 ======================= Grid point 2 (3/66) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 20.890 0.000 14.162) 25.238 0.968 ( 22.349 0.000 18.824) 29.220 1.660 ( 9.184 0.000 5.816) 10.870 1.740 ( 7.395 0.000 2.293) 7.743 1.783 ( 0.785 0.000 1.238) 1.466 1.881 ( -0.105 0.000 -10.180) 10.180 2.158 ( -3.560 0.000 -3.464) 4.967 2.186 ( 7.716 0.000 3.781) 8.592 2.330 ( 0.614 0.000 2.525) 2.599 2.335 ( -4.066 0.000 2.649) 4.853 2.515 ( -4.925 0.000 -9.116) 10.361 2.627 ( 4.257 0.000 -1.956) 4.685 2.710 ( -4.682 0.000 -5.868) 7.507 2.781 ( 6.797 0.000 0.435) 6.811 2.824 ( -3.232 0.000 1.100) 3.414 2.910 ( -0.731 0.000 3.809) 3.879 2.936 ( -2.212 0.000 2.599) 3.413 3.006 ( 3.027 0.000 -2.837) 4.149 3.090 ( 5.160 0.000 1.394) 5.345 3.103 ( -2.697 0.000 1.795) 3.240 3.216 ( -1.900 0.000 -4.908) 5.263 3.301 ( 1.513 0.000 -4.167) 4.434 3.312 ( 3.512 0.000 -5.104) 6.196 3.435 ( 1.682 0.000 4.093) 4.425 3.538 ( -1.376 0.000 2.037) 2.458 3.645 ( 0.254 0.000 4.642) 4.649 3.672 ( -2.788 0.000 -2.624) 3.829 3.790 ( -3.401 0.000 0.036) 3.401 3.877 ( -9.357 0.000 0.398) 9.365 3.898 ( -0.963 0.000 2.369) 2.558 4.020 ( 4.918 0.000 -1.317) 5.091 4.020 ( 0.292 0.000 -0.592) 0.660 4.087 ( -3.313 0.000 -0.081) 3.314 4.170 ( 0.168 0.000 0.195) 0.257 4.172 ( -1.015 0.000 1.496) 1.808 4.186 ( -4.618 0.000 4.164) 6.218 4.247 ( 2.350 0.000 1.834) 2.981 4.284 ( -3.528 0.000 2.048) 4.079 4.294 ( -1.066 0.000 2.137) 2.388 4.418 ( -5.949 0.000 -5.032) 7.791 4.468 ( 5.728 0.000 3.870) 6.913 4.518 ( -4.332 0.000 2.014) 4.777 4.535 ( -9.271 0.000 -6.524) 11.336 4.686 ( -4.656 0.000 -5.218) 6.994 4.719 ( 2.620 0.000 3.701) 4.534 4.802 ( 10.743 0.000 -1.228) 10.813 4.982 ( 4.235 0.000 7.223) 8.373 5.055 ( 9.710 0.000 1.100) 9.773 5.076 ( 2.586 0.000 -1.704) 3.097 5.167 ( 2.894 0.000 -3.241) 4.345 5.249 ( -0.704 0.000 -5.278) 5.325 5.300 ( -0.586 0.000 -2.397) 2.467 5.331 ( -3.289 0.000 -2.351) 4.043 5.370 ( -0.172 0.000 0.135) 0.219 5.457 ( 1.832 0.000 -0.302) 1.857 5.549 ( -0.619 0.000 -0.181) 0.645 5.656 ( 0.392 0.000 2.473) 2.504 5.673 ( -0.514 0.000 1.194) 1.300 5.706 ( -0.217 0.000 2.373) 2.383 5.817 ( -1.068 0.000 1.523) 1.860 5.877 ( -4.223 0.000 -4.617) 6.257 5.980 ( -1.519 0.000 3.612) 3.919 6.029 ( 1.017 0.000 -1.646) 1.935 6.029 ( 0.704 0.000 -1.532) 1.686 6.084 ( -3.303 0.000 -4.546) 5.619 6.177 ( 2.345 0.000 -0.216) 2.355 6.292 ( 0.598 0.000 4.403) 4.443 6.371 ( -1.700 0.000 -2.218) 2.795 6.373 ( -3.655 0.000 2.381) 4.362 6.402 ( -0.228 0.000 -5.407) 5.412 6.412 ( -1.198 0.000 0.960) 1.535 6.473 ( -2.177 0.000 2.400) 3.240 6.596 ( -1.541 0.000 0.013) 1.541 6.755 ( -1.855 0.000 -0.425) 1.903 6.776 ( 0.741 0.000 2.171) 2.295 7.138 ( 3.524 0.000 -0.461) 3.554 7.209 ( 1.404 0.000 1.559) 2.098 7.342 ( -2.414 0.000 -0.102) 2.416 7.477 ( -1.835 0.000 -1.895) 2.637 7.596 ( 1.555 0.000 -0.171) 1.564 7.659 ( 4.441 0.000 2.058) 4.894 7.791 ( -1.478 0.000 -0.819) 1.690 7.823 ( 2.444 0.000 1.104) 2.681 8.240 ( 1.721 0.000 7.048) 7.255 8.373 ( 0.216 0.000 -0.128) 0.251 9.026 ( 2.031 0.000 -6.252) 6.574 9.615 ( -0.874 0.000 1.622) 1.842 9.916 ( -2.668 0.000 -2.036) 3.356 10.255 ( 0.543 0.000 -0.563) 0.783 10.709 ( -4.153 0.000 -1.969) 4.596 12.737 ( -1.610 0.000 -0.582) 1.712 12.866 ( -0.547 0.000 0.042) 0.548 12.906 ( 0.406 0.000 0.046) 0.409 12.950 ( -0.529 0.000 -0.436) 0.686 12.963 ( 1.283 0.000 0.208) 1.300 13.028 ( 0.233 0.000 0.489) 0.541 13.095 ( -1.161 0.000 -0.410) 1.231 13.164 ( 1.473 0.000 0.488) 1.552 13.528 ( -0.106 0.000 -0.480) 0.491 13.610 ( -1.751 0.000 -0.561) 1.838 13.679 ( 0.548 0.000 -0.231) 0.595 13.705 ( 0.156 0.000 0.003) 0.156 13.750 ( -0.640 0.000 0.242) 0.684 13.809 ( 0.209 0.000 0.396) 0.448 13.818 ( 1.663 0.000 0.791) 1.841 13.906 ( -2.327 0.000 -0.800) 2.460 17.167 ( -0.066 0.000 -0.435) 0.440 17.246 ( -1.062 0.000 2.053) 2.312 17.349 ( -0.143 0.000 -0.053) 0.152 17.466 ( -0.338 0.000 0.099) 0.352 17.702 ( 0.498 0.000 0.241) 0.553 17.758 ( -0.312 0.000 0.087) 0.324 17.764 ( 1.098 0.000 0.179) 1.112 17.797 ( -0.936 0.000 -0.881) 1.285 17.799 ( -0.976 0.000 -0.724) 1.215 17.877 ( -0.655 0.000 -0.463) 0.802 17.898 ( -1.878 0.000 0.700) 2.004 17.962 ( -1.748 0.000 1.424) 2.255 18.027 ( -0.649 0.000 -0.719) 0.968 18.058 ( 0.146 0.000 -0.107) 0.181 18.160 ( -0.786 0.000 -2.343) 2.471 18.258 ( 1.321 0.000 0.982) 1.646 18.338 ( 0.138 0.000 0.627) 0.642 18.411 ( 2.758 0.000 0.087) 2.760 18.464 ( 2.488 0.000 -1.017) 2.688 18.488 ( -0.736 0.000 0.103) 0.743 18.522 ( 0.062 0.000 0.692) 0.695 18.562 ( 0.294 0.000 1.150) 1.187 18.690 ( 1.278 0.000 -0.416) 1.344 18.757 ( 1.241 0.000 0.086) 1.244 28.528 ( -0.447 0.000 0.140) 0.468 28.572 ( -0.041 0.000 0.029) 0.050 28.574 ( 0.204 0.000 0.016) 0.205 28.639 ( 0.673 0.000 0.080) 0.678 28.855 ( -0.020 0.000 -0.154) 0.155 28.924 ( -0.328 0.000 0.092) 0.341 28.942 ( -0.200 0.000 -0.026) 0.201 28.971 ( 0.422 0.000 0.045) 0.424 30.859 ( 1.103 0.000 1.036) 1.513 31.033 ( 2.514 0.000 0.721) 2.616 31.393 ( -0.662 0.000 0.301) 0.727 31.653 ( 3.877 0.000 -0.733) 3.946 31.653 ( 0.042 0.000 -0.082) 0.092 31.843 ( 6.685 0.000 3.290) 7.451 32.200 ( 0.457 0.000 -17.085) 17.092 32.318 ( 3.310 0.000 -0.498) 3.347 32.366 ( -5.917 0.000 10.438) 11.998 32.598 ( 4.236 0.000 -3.066) 5.229 32.736 ( 0.519 0.000 -0.047) 0.521 32.943 ( -5.058 0.000 -2.845) 5.803 33.038 ( -5.756 0.000 4.419) 7.257 33.292 ( 0.570 0.000 -0.714) 0.913 33.306 ( -2.528 0.000 3.206) 4.083 33.408 ( 1.662 0.000 -2.491) 2.994 33.682 ( 4.261 0.000 3.270) 5.371 33.837 ( -0.050 0.000 0.644) 0.646 34.010 ( -1.446 0.000 -2.785) 3.138 34.299 ( 3.044 0.000 2.047) 3.668 34.494 ( -0.413 0.000 1.520) 1.576 34.645 ( -0.734 0.000 -1.631) 1.788 34.657 ( 2.517 0.000 2.013) 3.223 34.924 ( -9.895 0.000 -2.007) 10.096 ======================= Grid point 3 (4/66) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 -0.000) 0.000 1.619 ( -0.000 0.000 -0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.325 ( -0.000 0.000 -0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 -0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 -0.000) 0.000 2.901 ( 0.000 0.000 -0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 -0.000) 0.000 3.189 ( 0.000 0.000 -0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.397 ( -0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 -0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.641 ( -0.000 0.000 -0.000) 0.000 3.742 ( 0.000 0.000 -0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.902 ( -0.000 0.000 -0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 -0.000) 0.000 4.086 ( 0.000 0.000 -0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 -0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 -0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 -0.000) 0.000 4.361 ( -0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 -0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 -0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.230 ( -0.000 0.000 -0.000) 0.000 5.282 ( 0.000 0.000 -0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 -0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 -0.000) 0.000 5.982 ( 0.000 0.000 -0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 -0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 -0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 -0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 -0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.733 ( -0.000 0.000 -0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 -0.000) 0.000 8.374 ( 0.000 0.000 -0.000) 0.000 9.019 ( 0.000 0.000 -0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 -0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 12.910 ( 0.000 0.000 0.000) 0.000 12.943 ( 0.000 0.000 0.000) 0.000 12.976 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.082 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 -0.000) 0.000 13.685 ( 0.000 0.000 -0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.743 ( 0.000 0.000 -0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 13.855 ( -0.000 0.000 -0.000) 0.000 13.863 ( 0.000 0.000 -0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.245 ( 0.000 0.000 0.000) 0.000 17.348 ( 0.000 0.000 0.000) 0.000 17.463 ( 0.000 0.000 0.000) 0.000 17.708 ( 0.000 0.000 0.000) 0.000 17.757 ( 0.000 0.000 -0.000) 0.000 17.772 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 17.793 ( 0.000 0.000 -0.000) 0.000 17.870 ( 0.000 0.000 0.000) 0.000 17.880 ( 0.000 0.000 0.000) 0.000 17.951 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.058 ( 0.000 0.000 -0.000) 0.000 18.148 ( 0.000 0.000 0.000) 0.000 18.274 ( 0.000 0.000 0.000) 0.000 18.339 ( 0.000 0.000 0.000) 0.000 18.442 ( 0.000 0.000 -0.000) 0.000 18.479 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.568 ( 0.000 0.000 0.000) 0.000 18.699 ( 0.000 0.000 -0.000) 0.000 18.769 ( 0.000 0.000 -0.000) 0.000 28.525 ( 0.000 0.000 0.000) 0.000 28.572 ( 0.000 0.000 0.000) 0.000 28.575 ( 0.000 0.000 0.000) 0.000 28.646 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 -0.000) 0.000 28.921 ( 0.000 0.000 -0.000) 0.000 28.940 ( 0.000 0.000 0.000) 0.000 28.975 ( 0.000 0.000 -0.000) 0.000 30.873 ( 0.000 0.000 0.000) 0.000 31.059 ( 0.000 0.000 0.000) 0.000 31.388 ( 0.000 0.000 0.000) 0.000 31.653 ( 0.000 0.000 0.000) 0.000 31.684 ( 0.000 0.000 0.000) 0.000 31.976 ( 0.000 0.000 -0.000) 0.000 32.074 ( 0.000 0.000 0.000) 0.000 32.347 ( 0.000 0.000 0.000) 0.000 32.360 ( 0.000 0.000 -0.000) 0.000 32.630 ( 0.000 0.000 -0.000) 0.000 32.741 ( 0.000 0.000 0.000) 0.000 32.887 ( 0.000 0.000 0.000) 0.000 32.996 ( 0.000 0.000 0.000) 0.000 33.295 ( 0.000 0.000 0.000) 0.000 33.297 ( 0.000 0.000 -0.000) 0.000 33.414 ( 0.000 0.000 -0.000) 0.000 33.726 ( 0.000 0.000 0.000) 0.000 33.839 ( 0.000 0.000 0.000) 0.000 33.985 ( 0.000 0.000 0.000) 0.000 34.349 ( 0.000 0.000 0.000) 0.000 34.497 ( 0.000 0.000 -0.000) 0.000 34.631 ( 0.000 0.000 0.000) 0.000 34.721 ( 0.000 0.000 -0.000) 0.000 34.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/66) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 22.127 0.000) 22.127 0.585 ( 0.000 26.240 0.000) 26.240 0.934 ( 0.000 39.339 0.000) 39.339 1.182 ( 0.000 4.088 0.000) 4.088 1.756 ( 0.000 -10.634 0.000) 10.634 1.856 ( 0.000 -7.208 0.000) 7.208 2.006 ( 0.000 -9.057 0.000) 9.057 2.201 ( 0.000 4.849 0.000) 4.849 2.285 ( 0.000 -1.907 0.000) 1.907 2.459 ( 0.000 -5.502 0.000) 5.502 2.463 ( 0.000 -13.201 0.000) 13.201 2.588 ( 0.000 -5.636 0.000) 5.636 2.698 ( 0.000 -3.728 0.000) 3.728 2.702 ( 0.000 -0.506 0.000) 0.506 2.760 ( 0.000 -5.116 0.000) 5.116 2.850 ( 0.000 -4.717 0.000) 4.717 2.933 ( 0.000 -0.338 0.000) 0.338 3.082 ( 0.000 -2.576 0.000) 2.576 3.093 ( 0.000 2.873 0.000) 2.873 3.185 ( 0.000 -7.368 0.000) 7.368 3.222 ( 0.000 -0.402 0.000) 0.402 3.254 ( 0.000 -3.300 0.000) 3.300 3.397 ( 0.000 3.538 0.000) 3.538 3.450 ( 0.000 4.458 0.000) 4.458 3.610 ( 0.000 -3.687 0.000) 3.687 3.615 ( 0.000 -2.478 0.000) 2.478 3.729 ( 0.000 -1.514 0.000) 1.514 3.822 ( 0.000 -1.061 0.000) 1.061 3.845 ( 0.000 4.212 0.000) 4.212 3.865 ( 0.000 -0.222 0.000) 0.222 3.898 ( 0.000 0.531 0.000) 0.531 3.957 ( 0.000 4.023 0.000) 4.023 3.978 ( 0.000 -4.024 0.000) 4.024 4.057 ( 0.000 -0.489 0.000) 0.489 4.126 ( 0.000 -3.370 0.000) 3.370 4.190 ( 0.000 -6.830 0.000) 6.830 4.209 ( 0.000 0.127 0.000) 0.127 4.346 ( 0.000 -0.142 0.000) 0.142 4.391 ( 0.000 0.283 0.000) 0.283 4.404 ( 0.000 4.783 0.000) 4.783 4.566 ( 0.000 5.923 0.000) 5.923 4.607 ( 0.000 5.092 0.000) 5.092 4.620 ( 0.000 3.108 0.000) 3.108 4.695 ( 0.000 5.037 0.000) 5.037 4.822 ( 0.000 7.709 0.000) 7.709 4.823 ( 0.000 7.476 0.000) 7.476 4.930 ( 0.000 -9.610 0.000) 9.610 5.064 ( 0.000 3.780 0.000) 3.780 5.066 ( 0.000 -5.069 0.000) 5.069 5.086 ( 0.000 -2.531 0.000) 2.531 5.142 ( 0.000 5.178 0.000) 5.178 5.355 ( 0.000 2.982 0.000) 2.982 5.376 ( 0.000 3.975 0.000) 3.975 5.381 ( 0.000 -2.869 0.000) 2.869 5.460 ( 0.000 2.106 0.000) 2.106 5.482 ( 0.000 0.377 0.000) 0.377 5.580 ( 0.000 -0.371 0.000) 0.371 5.726 ( 0.000 -0.147 0.000) 0.147 5.770 ( 0.000 0.416 0.000) 0.416 5.793 ( 0.000 -4.765 0.000) 4.765 5.903 ( 0.000 -2.746 0.000) 2.746 5.903 ( 0.000 -0.055 0.000) 0.055 6.051 ( 0.000 3.909 0.000) 3.909 6.121 ( 0.000 -0.046 0.000) 0.046 6.177 ( 0.000 1.825 0.000) 1.825 6.202 ( 0.000 0.383 0.000) 0.383 6.317 ( 0.000 -4.293 0.000) 4.293 6.383 ( 0.000 -1.120 0.000) 1.120 6.421 ( 0.000 4.957 0.000) 4.957 6.442 ( 0.000 -0.986 0.000) 0.986 6.477 ( 0.000 -1.867 0.000) 1.867 6.584 ( 0.000 -2.123 0.000) 2.123 6.672 ( 0.000 2.723 0.000) 2.723 6.722 ( 0.000 -0.892 0.000) 0.892 6.730 ( 0.000 3.283 0.000) 3.283 6.864 ( 0.000 -0.193 0.000) 0.193 7.422 ( 0.000 -0.743 0.000) 0.743 7.466 ( 0.000 1.022 0.000) 1.022 7.581 ( 0.000 1.608 0.000) 1.608 7.627 ( 0.000 2.126 0.000) 2.126 7.639 ( 0.000 -1.631 0.000) 1.631 7.758 ( 0.000 -3.737 0.000) 3.737 7.808 ( 0.000 -0.656 0.000) 0.656 7.877 ( 0.000 1.016 0.000) 1.016 8.935 ( 0.000 -0.846 0.000) 0.846 8.943 ( 0.000 -0.695 0.000) 0.695 9.634 ( 0.000 0.072 0.000) 0.072 9.767 ( 0.000 -3.647 0.000) 3.647 10.136 ( 0.000 8.603 0.000) 8.603 11.009 ( 0.000 -9.353 0.000) 9.353 12.798 ( 0.000 0.413 0.000) 0.413 12.884 ( 0.000 -0.457 0.000) 0.457 12.897 ( 0.000 0.282 0.000) 0.282 12.913 ( 0.000 -0.299 0.000) 0.299 12.982 ( 0.000 1.931 0.000) 1.931 13.036 ( 0.000 -1.373 0.000) 1.373 13.081 ( 0.000 -0.771 0.000) 0.771 13.112 ( 0.000 -1.349 0.000) 1.349 13.541 ( 0.000 0.248 0.000) 0.248 13.647 ( 0.000 -2.585 0.000) 2.585 13.682 ( 0.000 0.206 0.000) 0.206 13.710 ( 0.000 -0.845 0.000) 0.845 13.718 ( 0.000 1.394 0.000) 1.394 13.763 ( 0.000 -0.071 0.000) 0.071 13.864 ( 0.000 3.615 0.000) 3.615 13.989 ( 0.000 -0.394 0.000) 0.394 17.170 ( 0.000 -0.334 0.000) 0.334 17.195 ( 0.000 -1.125 0.000) 1.125 17.378 ( 0.000 0.518 0.000) 0.518 17.455 ( 0.000 -1.004 0.000) 1.004 17.750 ( 0.000 1.092 0.000) 1.092 17.759 ( 0.000 -0.402 0.000) 0.402 17.802 ( 0.000 0.167 0.000) 0.167 17.831 ( 0.000 0.154 0.000) 0.154 17.840 ( 0.000 -3.383 0.000) 3.383 17.887 ( 0.000 -1.439 0.000) 1.439 17.911 ( 0.000 0.273 0.000) 0.273 17.922 ( 0.000 0.304 0.000) 0.304 18.062 ( 0.000 0.998 0.000) 0.998 18.086 ( 0.000 2.547 0.000) 2.547 18.220 ( 0.000 -0.674 0.000) 0.674 18.267 ( 0.000 0.010 0.000) 0.010 18.285 ( 0.000 0.404 0.000) 0.404 18.326 ( 0.000 2.386 0.000) 2.386 18.347 ( 0.000 -1.552 0.000) 1.552 18.457 ( 0.000 -1.485 0.000) 1.485 18.540 ( 0.000 1.529 0.000) 1.529 18.615 ( 0.000 0.058 0.000) 0.058 18.634 ( 0.000 2.440 0.000) 2.440 18.743 ( 0.000 -0.655 0.000) 0.655 28.543 ( 0.000 0.010 0.000) 0.010 28.559 ( 0.000 -0.427 0.000) 0.427 28.582 ( 0.000 0.521 0.000) 0.521 28.594 ( 0.000 0.148 0.000) 0.148 28.863 ( 0.000 0.512 0.000) 0.512 28.937 ( 0.000 -0.142 0.000) 0.142 28.948 ( 0.000 0.074 0.000) 0.074 28.956 ( 0.000 -1.073 0.000) 1.073 30.868 ( 0.000 5.103 0.000) 5.103 30.985 ( 0.000 2.344 0.000) 2.344 31.189 ( 0.000 1.931 0.000) 1.931 31.397 ( 0.000 -1.744 0.000) 1.744 31.550 ( 0.000 -0.364 0.000) 0.364 31.711 ( 0.000 -1.271 0.000) 1.271 32.157 ( 0.000 0.323 0.000) 0.323 32.189 ( 0.000 -1.215 0.000) 1.215 32.361 ( 0.000 4.960 0.000) 4.960 32.532 ( 0.000 8.155 0.000) 8.155 32.894 ( 0.000 -6.283 0.000) 6.283 33.035 ( 0.000 -2.944 0.000) 2.944 33.090 ( 0.000 -6.209 0.000) 6.209 33.179 ( 0.000 -3.744 0.000) 3.744 33.366 ( 0.000 -1.510 0.000) 1.510 33.413 ( 0.000 1.875 0.000) 1.875 33.626 ( 0.000 3.644 0.000) 3.644 33.723 ( 0.000 -5.053 0.000) 5.053 34.054 ( 0.000 6.066 0.000) 6.066 34.262 ( 0.000 0.579 0.000) 0.579 34.495 ( 0.000 0.111 0.000) 0.111 34.557 ( 0.000 -2.627 0.000) 2.627 35.156 ( 0.000 0.553 0.000) 0.553 35.243 ( 0.000 -1.309 0.000) 1.309 ======================= Grid point 8 (6/66) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 9.056 19.802 -6.345) 22.680 0.851 ( 15.027 21.988 9.639) 28.323 1.259 ( 28.500 16.262 15.788) 36.413 1.399 ( 19.053 6.483 7.482) 21.472 1.772 ( 1.657 -8.554 -0.148) 8.715 1.903 ( -0.837 -11.354 4.785) 12.350 1.997 ( -0.528 -3.187 -1.470) 3.549 2.175 ( -3.821 -2.320 0.768) 4.535 2.257 ( -1.283 -4.553 1.569) 4.984 2.463 ( -1.509 -8.936 -3.833) 9.840 2.465 ( -0.742 -4.963 -0.072) 5.019 2.571 ( 1.123 -2.543 -3.251) 4.278 2.674 ( -2.912 2.212 -1.169) 3.839 2.740 ( -0.196 -7.590 0.135) 7.594 2.786 ( 5.563 -2.620 3.988) 7.329 2.813 ( -0.723 -6.874 -1.388) 7.050 2.949 ( 2.141 5.464 1.306) 6.012 3.062 ( 0.580 -6.856 -3.272) 7.619 3.100 ( -0.141 -5.932 -2.823) 6.571 3.186 ( 0.882 -1.162 -1.654) 2.206 3.204 ( -3.772 4.347 -2.773) 6.389 3.279 ( -0.195 -2.059 -0.485) 2.124 3.327 ( -11.988 4.114 -5.094) 13.660 3.383 ( 0.897 0.529 5.930) 6.021 3.535 ( -0.418 -5.836 -0.309) 5.859 3.657 ( 1.940 -5.035 0.221) 5.400 3.715 ( -2.884 -0.542 -1.580) 3.333 3.775 ( -0.131 0.923 -6.399) 6.467 3.814 ( -0.990 3.008 4.770) 5.725 3.909 ( 0.662 -6.322 -2.286) 6.755 3.933 ( 0.220 -0.719 1.226) 1.438 4.002 ( 2.894 -1.579 2.747) 4.292 4.042 ( 2.063 -0.703 1.141) 2.460 4.073 ( 5.086 0.832 2.807) 5.869 4.137 ( -5.725 -1.210 1.243) 5.982 4.176 ( 0.953 0.541 5.544) 5.651 4.259 ( 2.359 -0.712 4.025) 4.720 4.353 ( 3.730 -1.730 -0.978) 4.227 4.381 ( -2.839 5.411 3.255) 6.924 4.435 ( 0.955 1.071 -1.753) 2.266 4.468 ( -6.064 2.973 -1.780) 6.984 4.636 ( 0.782 1.685 0.975) 2.098 4.670 ( 1.967 4.819 -0.469) 5.226 4.711 ( 1.420 -1.907 -2.388) 3.370 4.817 ( -1.853 8.341 -0.142) 8.545 4.849 ( 2.752 9.200 -0.008) 9.603 4.941 ( 4.781 -3.476 -3.537) 6.888 5.032 ( -1.968 6.306 -0.832) 6.658 5.059 ( 2.359 -4.868 -3.531) 6.460 5.080 ( -3.324 0.392 1.850) 3.824 5.205 ( 4.251 -1.327 3.213) 5.491 5.252 ( -2.296 0.779 -4.235) 4.880 5.328 ( -3.066 -1.584 -2.263) 4.127 5.394 ( -1.786 2.616 2.299) 3.914 5.433 ( -0.917 -0.364 -0.363) 1.051 5.573 ( 5.317 1.131 -0.072) 5.437 5.632 ( 2.412 -1.242 2.113) 3.439 5.708 ( -1.240 3.705 0.815) 3.991 5.760 ( -1.951 -3.228 -1.614) 4.103 5.789 ( -1.601 -1.407 4.354) 4.848 5.862 ( -1.456 -5.449 2.886) 6.336 5.976 ( 2.754 1.429 0.064) 3.104 6.036 ( -0.323 2.446 -2.822) 3.748 6.088 ( -0.048 2.675 -4.054) 4.858 6.139 ( -2.964 -1.042 -5.836) 6.627 6.245 ( 2.139 3.882 2.444) 5.061 6.268 ( -0.181 -2.929 0.498) 2.976 6.366 ( -3.038 2.618 -2.747) 4.861 6.413 ( -0.916 -0.873 -1.303) 1.817 6.450 ( -2.716 -0.451 -2.072) 3.446 6.486 ( 2.306 2.332 4.708) 5.738 6.564 ( -4.215 1.096 2.703) 5.126 6.671 ( -2.318 -4.361 0.284) 4.947 6.684 ( -1.718 2.525 1.122) 3.254 6.743 ( 1.932 -0.921 -0.353) 2.169 6.920 ( 5.661 -2.253 1.315) 6.233 7.379 ( -2.345 2.613 -0.244) 3.519 7.473 ( -3.434 2.955 -2.037) 4.967 7.530 ( -4.207 0.185 -0.115) 4.213 7.600 ( -0.339 2.878 -2.015) 3.529 7.636 ( -0.553 3.991 -1.468) 4.289 7.728 ( 3.946 -1.442 3.054) 5.194 7.788 ( 0.039 -1.504 -0.027) 1.505 7.981 ( 2.880 -5.369 3.866) 7.215 8.707 ( -11.173 11.852 4.219) 16.826 9.022 ( 6.354 -1.633 -13.252) 14.787 9.626 ( -0.529 0.808 1.493) 1.779 9.934 ( 6.060 -8.977 6.472) 12.618 10.130 ( 1.032 4.020 -0.562) 4.189 10.828 ( -11.734 -4.009 -7.989) 14.751 12.781 ( -1.671 0.639 -0.356) 1.824 12.881 ( -0.405 0.274 -0.461) 0.672 12.892 ( -0.287 -0.848 0.461) 1.007 12.916 ( 0.596 -0.809 -0.912) 1.358 12.990 ( 0.677 1.849 0.066) 1.970 13.032 ( 0.225 -0.057 0.791) 0.824 13.103 ( -0.528 -1.228 -0.158) 1.346 13.122 ( 2.216 -0.568 0.356) 2.315 13.528 ( -1.050 -0.066 0.164) 1.065 13.623 ( -1.789 -2.230 -0.877) 2.990 13.673 ( -0.397 0.116 -0.537) 0.678 13.706 ( -0.440 -0.604 -0.135) 0.760 13.740 ( 1.349 0.623 1.011) 1.797 13.778 ( 1.130 -0.124 0.839) 1.413 13.857 ( -0.833 3.026 0.118) 3.141 13.957 ( -2.452 0.246 -0.625) 2.542 17.167 ( -0.109 -0.371 -0.376) 0.539 17.201 ( -0.468 -2.190 1.829) 2.891 17.367 ( -0.782 0.789 -0.126) 1.118 17.457 ( 0.053 -1.086 0.161) 1.099 17.714 ( -1.284 0.563 -1.112) 1.789 17.764 ( -0.026 0.125 -0.126) 0.179 17.776 ( -0.906 0.806 0.083) 1.215 17.796 ( -1.620 -1.373 -0.261) 2.140 17.844 ( -0.726 0.498 -1.320) 1.587 17.884 ( -0.782 -0.793 -0.393) 1.181 17.923 ( -0.421 0.539 1.230) 1.407 17.964 ( -0.106 -1.393 5.406) 5.584 18.036 ( -1.019 0.985 -0.691) 1.577 18.098 ( -1.118 2.231 2.565) 3.579 18.208 ( -0.989 0.042 -2.721) 2.896 18.259 ( 2.840 1.385 -3.817) 4.955 18.309 ( 1.487 0.052 0.614) 1.610 18.334 ( 1.845 -2.098 -2.548) 3.781 18.382 ( 2.976 -0.955 0.812) 3.229 18.457 ( -0.452 -2.199 0.947) 2.436 18.544 ( -0.066 2.159 0.238) 2.173 18.601 ( 0.484 2.430 0.162) 2.483 18.675 ( 2.143 0.759 0.847) 2.426 18.738 ( 0.092 -0.256 -0.166) 0.319 28.537 ( -0.566 0.079 0.155) 0.592 28.560 ( 0.034 -0.519 0.081) 0.526 28.582 ( 0.290 0.622 -0.006) 0.686 28.615 ( 1.414 -0.430 0.136) 1.484 28.862 ( -0.071 0.482 -0.111) 0.499 28.933 ( -0.443 0.322 0.068) 0.552 28.936 ( -0.609 -0.876 -0.042) 1.068 28.961 ( 0.470 -0.308 -0.171) 0.587 30.873 ( 1.218 4.740 1.550) 5.134 31.026 ( 2.539 3.312 0.944) 4.279 31.396 ( 0.025 -0.755 1.047) 1.291 31.426 ( 13.017 -8.780 4.430) 16.314 31.579 ( 4.168 -0.790 -0.972) 4.352 31.738 ( 2.552 -2.268 1.278) 3.645 32.162 ( 4.405 -2.614 -10.905) 12.048 32.206 ( 0.658 -2.539 1.801) 3.181 32.378 ( -0.469 4.118 5.127) 6.593 32.573 ( 5.173 7.225 -1.888) 9.084 32.902 ( 0.555 -2.827 -0.371) 2.905 32.954 ( -3.994 -1.916 -1.607) 4.712 33.052 ( -4.513 -3.869 -0.905) 6.013 33.245 ( 1.399 -1.648 5.369) 5.788 33.369 ( 2.246 -3.231 -0.493) 3.966 33.477 ( 3.647 -0.463 -2.518) 4.455 33.561 ( -3.001 5.771 0.711) 6.543 33.703 ( -2.417 -6.263 0.295) 6.720 34.090 ( 1.324 4.354 3.003) 5.452 34.251 ( -1.299 -0.557 0.558) 1.519 34.495 ( -0.995 0.022 2.486) 2.678 34.566 ( 2.173 -1.793 -1.811) 3.349 34.999 ( -15.667 9.626 -5.403) 19.166 35.087 ( -7.060 0.160 -1.400) 7.199 ======================= Grid point 9 (7/66) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 18.777 5.325 4.891) 20.121 1.174 ( 13.431 12.382 13.777) 22.880 1.638 ( -7.949 -3.829 -0.406) 8.832 1.730 ( 5.938 2.539 2.709) 7.003 1.816 ( 11.909 1.985 3.000) 12.440 1.968 ( -1.893 4.638 -2.467) 5.584 2.022 ( 8.181 -9.472 2.938) 12.856 2.161 ( 7.087 -4.853 2.240) 8.877 2.270 ( 0.016 -5.997 3.499) 6.943 2.335 ( -3.117 0.914 -3.847) 5.035 2.452 ( 1.505 -7.109 -1.012) 7.336 2.558 ( 1.677 2.120 -6.861) 7.374 2.642 ( 0.326 -4.624 -0.325) 4.647 2.726 ( -2.372 -5.737 4.361) 7.587 2.809 ( -0.514 -3.570 -1.051) 3.757 2.912 ( 1.439 0.971 2.473) 3.021 3.006 ( 2.047 1.846 4.170) 4.998 3.048 ( 1.963 -0.417 -6.993) 7.275 3.053 ( -4.879 -0.520 -0.338) 4.918 3.123 ( -1.559 -3.050 -2.309) 4.131 3.172 ( 2.852 -5.605 -0.212) 6.292 3.219 ( 2.360 5.560 4.162) 7.335 3.262 ( -1.313 -3.741 -4.223) 5.793 3.444 ( 1.915 -0.123 1.638) 2.523 3.530 ( 0.955 -4.264 1.981) 4.798 3.638 ( -2.127 -2.398 -2.977) 4.375 3.684 ( -0.469 -4.590 -2.373) 5.188 3.762 ( 1.145 0.044 -0.902) 1.458 3.819 ( -2.739 -1.012 2.950) 4.151 3.861 ( -4.054 -8.812 -1.002) 9.752 3.952 ( -3.891 0.477 -3.145) 5.026 3.978 ( -2.600 -1.541 -2.042) 3.647 4.039 ( -2.048 1.495 -0.849) 2.674 4.093 ( 0.283 3.084 5.344) 6.176 4.165 ( 3.972 -0.393 0.802) 4.071 4.249 ( -2.356 3.910 0.826) 4.639 4.299 ( -0.279 -3.837 5.668) 6.850 4.339 ( -2.250 6.327 1.645) 6.914 4.377 ( 2.830 0.616 0.656) 2.970 4.405 ( -1.865 0.893 1.969) 2.855 4.409 ( -3.361 1.595 -1.559) 4.034 4.542 ( -6.504 1.462 -2.538) 7.133 4.656 ( -4.784 1.867 -2.533) 5.726 4.761 ( -1.259 8.150 -2.455) 8.605 4.788 ( 7.950 -0.183 -1.505) 8.093 4.878 ( 1.073 7.295 -2.630) 7.829 4.997 ( 1.313 0.608 -1.081) 1.806 5.019 ( 4.354 -2.381 1.713) 5.250 5.107 ( 4.218 0.897 2.845) 5.166 5.120 ( 4.851 0.560 -0.397) 4.900 5.217 ( -2.194 -0.955 0.039) 2.393 5.268 ( 0.447 -1.163 -1.483) 1.937 5.318 ( 3.361 -3.368 2.516) 5.382 5.371 ( -2.043 2.949 -2.962) 4.652 5.398 ( -1.182 -1.231 1.091) 2.026 5.618 ( 0.540 3.094 -2.265) 3.873 5.657 ( 0.979 -3.051 -1.644) 3.602 5.712 ( -0.979 2.307 3.933) 4.663 5.752 ( -0.196 0.937 2.869) 3.024 5.779 ( -1.643 -2.045 3.920) 4.717 5.838 ( -2.359 -3.271 -1.357) 4.255 5.988 ( -0.326 1.926 0.273) 1.973 6.009 ( -0.666 0.091 -3.876) 3.934 6.044 ( -1.925 -1.438 -3.392) 4.157 6.089 ( 1.216 3.686 -1.522) 4.169 6.244 ( -2.913 0.457 -0.418) 2.979 6.285 ( -0.832 1.474 -0.468) 1.756 6.320 ( 0.889 1.457 -0.180) 1.716 6.391 ( -1.671 -0.226 -2.041) 2.648 6.408 ( 0.857 1.532 1.358) 2.219 6.496 ( -3.738 1.821 0.255) 4.165 6.510 ( -0.956 2.990 0.674) 3.211 6.635 ( -2.601 2.752 -1.684) 4.144 6.683 ( 0.925 -3.418 2.914) 4.586 6.775 ( 0.867 -2.312 1.039) 2.679 7.042 ( 6.071 -4.797 1.860) 7.958 7.342 ( -2.629 7.575 -0.937) 8.073 7.382 ( -1.869 2.994 -0.807) 3.620 7.486 ( -2.027 0.300 -0.841) 2.215 7.588 ( 0.413 -0.260 -0.033) 0.489 7.683 ( 3.123 1.524 1.184) 3.671 7.778 ( -1.100 -1.138 -0.037) 1.583 7.812 ( 3.272 -0.577 1.388) 3.601 8.031 ( 0.880 -8.272 2.082) 8.576 8.628 ( -2.467 11.865 2.234) 12.323 9.016 ( 1.673 -1.070 -5.477) 5.826 9.632 ( -0.339 1.489 1.702) 2.286 9.964 ( -2.012 2.849 -0.935) 3.612 10.209 ( 5.469 -5.087 3.762) 8.363 10.589 ( -9.259 -7.427 -7.287) 13.928 12.748 ( -1.522 0.996 -0.395) 1.861 12.868 ( -0.664 -0.031 -0.071) 0.669 12.897 ( 0.416 -1.135 0.193) 1.224 12.915 ( 0.019 -1.251 -0.912) 1.548 13.003 ( 0.686 1.860 0.254) 1.999 13.048 ( 0.495 1.336 0.626) 1.557 13.090 ( -0.543 -0.308 -0.172) 0.648 13.152 ( 1.044 -0.666 0.161) 1.249 13.518 ( -0.207 -0.671 0.046) 0.704 13.586 ( -1.709 -2.022 -0.482) 2.691 13.668 ( 0.237 -0.506 -0.327) 0.647 13.692 ( -0.926 -1.004 -0.272) 1.393 13.768 ( 1.108 1.311 0.740) 1.869 13.806 ( 1.197 0.039 0.733) 1.404 13.845 ( -0.391 1.791 0.171) 1.841 13.910 ( -2.517 0.157 -0.595) 2.591 17.162 ( -0.075 -0.395 -0.381) 0.554 17.203 ( -0.480 -2.629 1.000) 2.854 17.357 ( -0.343 0.673 -0.053) 0.758 17.458 ( -0.109 -1.056 0.123) 1.069 17.708 ( 0.752 0.026 0.032) 0.753 17.750 ( -1.141 -0.751 -0.061) 1.367 17.758 ( -0.923 -0.504 -0.340) 1.105 17.792 ( 0.420 -0.097 0.439) 0.615 17.819 ( -0.859 1.063 -1.289) 1.879 17.867 ( -0.767 -0.043 0.434) 0.882 17.910 ( -1.511 0.904 0.209) 1.773 17.965 ( -1.699 -0.130 1.221) 2.096 18.027 ( -0.098 0.331 -0.448) 0.566 18.096 ( -0.145 2.134 0.297) 2.159 18.167 ( -0.676 1.058 -2.165) 2.502 18.293 ( 1.724 2.056 0.173) 2.689 18.326 ( -0.725 -0.323 0.807) 1.132 18.368 ( 4.240 -3.019 -1.173) 5.335 18.427 ( 1.316 -2.043 0.386) 2.461 18.454 ( -0.498 -3.077 0.471) 3.152 18.541 ( -0.235 3.217 -0.014) 3.226 18.629 ( 1.597 3.219 0.887) 3.702 18.700 ( 0.460 0.425 -0.087) 0.633 18.751 ( 1.082 -0.551 0.219) 1.233 28.530 ( -0.409 0.165 0.153) 0.467 28.561 ( -0.040 -0.605 0.089) 0.613 28.588 ( 0.287 0.807 0.035) 0.857 28.635 ( 0.786 -0.333 0.182) 0.873 28.859 ( -0.074 0.430 -0.120) 0.453 28.924 ( -0.456 -0.383 0.071) 0.600 28.932 ( -0.107 -0.316 -0.007) 0.333 28.967 ( 0.361 -0.393 -0.133) 0.550 30.914 ( 1.502 5.060 1.724) 5.553 31.071 ( 1.851 3.062 0.457) 3.607 31.401 ( 0.066 0.349 0.930) 0.996 31.570 ( 3.394 -3.920 0.891) 5.261 31.662 ( 4.255 -0.205 -0.389) 4.278 31.823 ( 5.952 -5.456 2.503) 8.454 32.115 ( -2.141 -3.295 -7.166) 8.173 32.230 ( 1.626 -3.701 -0.880) 4.137 32.408 ( -0.096 2.961 3.609) 4.670 32.654 ( 5.591 6.178 -2.706) 8.761 32.890 ( -0.785 9.078 -0.201) 9.114 32.906 ( -1.642 -6.508 -1.294) 6.835 32.980 ( -3.543 -1.324 1.752) 4.169 33.265 ( -0.989 0.307 1.342) 1.695 33.388 ( -1.723 1.810 -3.341) 4.172 33.444 ( 1.546 1.156 0.731) 2.064 33.632 ( 0.764 -2.370 2.011) 3.201 33.663 ( 1.224 -9.406 0.022) 9.485 34.113 ( -1.017 4.327 2.886) 5.300 34.232 ( -0.725 -3.834 -1.023) 4.034 34.515 ( 1.792 1.240 2.890) 3.619 34.607 ( 3.924 -0.981 -1.868) 4.455 34.782 ( -7.429 6.036 -0.903) 9.614 34.919 ( -10.147 -0.454 -2.099) 10.371 ======================= Grid point 10 (8/66) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -4.305 0.000) 4.305 1.369 ( 0.000 2.751 0.000) 2.751 1.465 ( 0.000 0.494 -0.000) 0.494 1.805 ( 0.000 4.253 0.000) 4.253 1.839 ( -0.000 7.986 -0.000) 7.986 1.889 ( 0.000 2.511 0.000) 2.511 2.143 ( -0.000 -1.181 0.000) 1.181 2.186 ( 0.000 -11.898 0.000) 11.898 2.292 ( 0.000 -8.512 0.000) 8.512 2.339 ( 0.000 -3.024 -0.000) 3.024 2.553 ( -0.000 11.730 0.000) 11.730 2.554 ( 0.000 -5.679 -0.000) 5.679 2.649 ( 0.000 -6.518 -0.000) 6.518 2.746 ( 0.000 -3.923 -0.000) 3.923 2.775 ( 0.000 -4.492 0.000) 4.492 2.927 ( -0.000 -1.162 0.000) 1.162 2.989 ( 0.000 -0.651 -0.000) 0.651 3.050 ( -0.000 3.828 0.000) 3.828 3.050 ( 0.000 2.811 -0.000) 2.811 3.146 ( 0.000 -6.633 0.000) 6.633 3.175 ( -0.000 -1.489 -0.000) 1.489 3.196 ( 0.000 -10.915 0.000) 10.915 3.331 ( 0.000 0.925 -0.000) 0.925 3.513 ( -0.000 8.999 0.000) 8.999 3.531 ( 0.000 1.513 0.000) 1.513 3.603 ( 0.000 -7.003 0.000) 7.003 3.659 ( 0.000 -2.568 -0.000) 2.568 3.739 ( 0.000 6.411 0.000) 6.411 3.745 ( -0.000 -16.572 -0.000) 16.572 3.819 ( 0.000 -3.937 -0.000) 3.937 3.885 ( 0.000 -6.867 -0.000) 6.867 3.932 ( 0.000 0.428 -0.000) 0.428 4.041 ( 0.000 8.978 -0.000) 8.978 4.122 ( 0.000 -0.286 0.000) 0.286 4.194 ( 0.000 4.439 -0.000) 4.439 4.210 ( -0.000 -1.815 0.000) 1.815 4.280 ( 0.000 2.227 0.000) 2.227 4.316 ( 0.000 -4.738 -0.000) 4.738 4.383 ( 0.000 7.960 -0.000) 7.960 4.416 ( -0.000 1.697 0.000) 1.697 4.462 ( 0.000 9.166 0.000) 9.166 4.484 ( 0.000 0.705 0.000) 0.705 4.548 ( -0.000 -3.203 -0.000) 3.203 4.745 ( 0.000 9.052 0.000) 9.052 4.847 ( 0.000 5.127 0.000) 5.127 4.883 ( 0.000 -1.732 0.000) 1.732 5.035 ( 0.000 -2.560 -0.000) 2.560 5.054 ( -0.000 -4.775 0.000) 4.775 5.171 ( 0.000 0.277 -0.000) 0.277 5.175 ( 0.000 -0.460 0.000) 0.460 5.206 ( 0.000 1.913 0.000) 1.913 5.254 ( -0.000 -3.283 0.000) 3.283 5.334 ( -0.000 -2.422 0.000) 2.422 5.347 ( 0.000 7.172 0.000) 7.172 5.408 ( 0.000 -2.279 0.000) 2.279 5.596 ( 0.000 2.602 0.000) 2.602 5.665 ( 0.000 -3.500 -0.000) 3.500 5.705 ( -0.000 3.011 0.000) 3.011 5.780 ( -0.000 -1.658 0.000) 1.658 5.785 ( 0.000 2.104 -0.000) 2.104 5.800 ( 0.000 -1.812 0.000) 1.812 5.968 ( 0.000 -1.130 0.000) 1.130 6.002 ( 0.000 2.115 0.000) 2.115 6.013 ( -0.000 -1.887 0.000) 1.887 6.088 ( 0.000 4.951 0.000) 4.951 6.233 ( 0.000 -0.738 0.000) 0.738 6.250 ( 0.000 -1.198 0.000) 1.198 6.329 ( 0.000 2.660 -0.000) 2.660 6.369 ( 0.000 0.056 -0.000) 0.056 6.435 ( 0.000 2.826 0.000) 2.826 6.469 ( 0.000 1.487 0.000) 1.487 6.493 ( 0.000 1.441 0.000) 1.441 6.602 ( 0.000 3.363 0.000) 3.363 6.705 ( 0.000 -1.489 0.000) 1.489 6.785 ( 0.000 -1.851 0.000) 1.851 7.111 ( 0.000 -4.915 -0.000) 4.915 7.305 ( 0.000 7.066 0.000) 7.066 7.375 ( 0.000 3.909 -0.000) 3.909 7.460 ( 0.000 0.177 0.000) 0.177 7.594 ( 0.000 -1.275 0.000) 1.275 7.731 ( -0.000 0.036 -0.000) 0.036 7.752 ( 0.000 0.105 0.000) 0.105 7.848 ( 0.000 -0.250 0.000) 0.250 8.046 ( 0.000 -9.860 -0.000) 9.860 8.620 ( 0.000 11.123 -0.000) 11.123 9.009 ( 0.000 -1.098 -0.000) 1.098 9.636 ( 0.000 2.079 0.000) 2.079 9.934 ( 0.000 4.223 0.000) 4.223 10.307 ( 0.000 2.773 0.000) 2.773 10.446 ( -0.000 -16.804 -0.000) 16.804 12.732 ( 0.000 1.139 0.000) 1.139 12.861 ( 0.000 -0.202 0.000) 0.202 12.905 ( 0.000 -0.460 -0.000) 0.460 12.907 ( 0.000 -1.999 0.000) 1.999 13.012 ( 0.000 1.846 0.000) 1.846 13.052 ( 0.000 1.049 0.000) 1.049 13.086 ( 0.000 0.899 0.000) 0.899 13.161 ( 0.000 -1.052 0.000) 1.052 13.518 ( 0.000 -0.679 0.000) 0.679 13.567 ( 0.000 -2.026 -0.000) 2.026 13.675 ( -0.000 -0.679 -0.000) 0.679 13.676 ( 0.000 -1.388 0.000) 1.388 13.782 ( 0.000 2.148 -0.000) 2.148 13.816 ( 0.000 0.343 -0.000) 0.343 13.857 ( 0.000 0.250 0.000) 0.250 13.872 ( 0.000 0.483 -0.000) 0.483 17.160 ( 0.000 -0.388 0.000) 0.388 17.202 ( 0.000 -2.708 0.000) 2.708 17.354 ( 0.000 0.597 0.000) 0.597 17.457 ( 0.000 -0.940 0.000) 0.940 17.728 ( 0.000 0.924 0.000) 0.924 17.732 ( -0.000 -1.284 -0.000) 1.284 17.745 ( 0.000 -1.280 0.000) 1.280 17.800 ( 0.000 -0.858 0.000) 0.858 17.804 ( 0.000 1.408 -0.000) 1.408 17.866 ( 0.000 0.427 0.000) 0.427 17.891 ( 0.000 1.076 0.000) 1.076 17.952 ( 0.000 -0.173 0.000) 0.173 18.023 ( 0.000 0.676 0.000) 0.676 18.096 ( 0.000 2.085 0.000) 2.085 18.155 ( 0.000 1.185 0.000) 1.185 18.312 ( -0.000 2.627 0.000) 2.627 18.318 ( 0.000 -0.959 -0.000) 0.959 18.421 ( 0.000 -1.369 -0.000) 1.369 18.423 ( -0.000 -4.741 0.000) 4.741 18.451 ( 0.000 -2.303 0.000) 2.303 18.538 ( 0.000 3.301 -0.000) 3.301 18.650 ( 0.000 3.918 0.000) 3.918 18.700 ( 0.000 -0.287 -0.000) 0.287 18.763 ( 0.000 -0.479 -0.000) 0.479 28.527 ( 0.000 0.200 0.000) 0.200 28.561 ( 0.000 -0.629 0.000) 0.629 28.590 ( 0.000 0.910 0.000) 0.910 28.643 ( 0.000 -0.286 0.000) 0.286 28.858 ( 0.000 0.399 -0.000) 0.399 28.921 ( 0.000 -0.522 0.000) 0.522 28.931 ( 0.000 -0.195 0.000) 0.195 28.970 ( 0.000 -0.468 -0.000) 0.468 30.935 ( 0.000 5.583 0.000) 5.583 31.089 ( 0.000 2.340 0.000) 2.340 31.407 ( 0.000 1.211 0.000) 1.211 31.600 ( 0.000 -2.534 0.000) 2.534 31.695 ( 0.000 0.393 0.000) 0.393 31.932 ( -0.000 -11.894 -0.000) 11.894 32.024 ( 0.000 3.215 0.000) 3.215 32.241 ( 0.000 -4.329 0.000) 4.329 32.422 ( 0.000 2.473 -0.000) 2.473 32.697 ( 0.000 5.786 0.000) 5.786 32.880 ( 0.000 -3.509 -0.000) 3.509 32.888 ( 0.000 11.156 0.000) 11.156 32.954 ( 0.000 -1.380 0.000) 1.380 33.257 ( 0.000 -0.024 0.000) 0.024 33.353 ( 0.000 2.105 0.000) 2.105 33.476 ( 0.000 3.355 0.000) 3.355 33.605 ( 0.000 -10.213 0.000) 10.213 33.709 ( 0.000 -5.179 0.000) 5.179 34.114 ( 0.000 5.059 0.000) 5.059 34.218 ( 0.000 -7.067 0.000) 7.067 34.573 ( 0.000 3.477 0.000) 3.477 34.633 ( 0.000 0.246 0.000) 0.246 34.738 ( 0.000 1.146 0.000) 1.146 34.773 ( -0.000 -0.691 -0.000) 0.691 ======================= Grid point 14 (9/66) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 17.199 0.000) 17.199 1.122 ( 0.000 21.934 0.000) 21.934 1.188 ( 0.000 -3.064 0.000) 3.064 1.478 ( 0.000 -13.210 0.000) 13.210 1.666 ( 0.000 13.187 0.000) 13.187 1.690 ( 0.000 -5.566 0.000) 5.566 1.822 ( 0.000 0.342 0.000) 0.342 2.112 ( 0.000 -16.105 0.000) 16.105 2.183 ( 0.000 4.874 0.000) 4.874 2.329 ( 0.000 3.167 0.000) 3.167 2.497 ( 0.000 -2.207 0.000) 2.207 2.543 ( 0.000 8.550 0.000) 8.550 2.618 ( 0.000 -9.026 0.000) 9.026 2.628 ( 0.000 -1.058 0.000) 1.058 2.676 ( 0.000 -4.112 0.000) 4.112 2.813 ( 0.000 -14.512 0.000) 14.512 2.882 ( 0.000 9.311 0.000) 9.311 2.988 ( 0.000 -0.958 0.000) 0.958 3.070 ( 0.000 0.232 0.000) 0.232 3.105 ( 0.000 -1.569 0.000) 1.569 3.166 ( 0.000 -1.901 0.000) 1.901 3.290 ( 0.000 -7.001 0.000) 7.001 3.347 ( 0.000 0.628 0.000) 0.628 3.404 ( 0.000 -3.837 0.000) 3.837 3.545 ( 0.000 0.647 0.000) 0.647 3.627 ( 0.000 -1.402 0.000) 1.402 3.711 ( 0.000 0.596 0.000) 0.596 3.786 ( 0.000 -3.537 0.000) 3.537 3.861 ( 0.000 2.080 0.000) 2.080 3.888 ( 0.000 1.201 0.000) 1.201 3.904 ( 0.000 1.146 0.000) 1.146 3.964 ( 0.000 -6.159 0.000) 6.159 4.012 ( 0.000 0.951 0.000) 0.951 4.016 ( 0.000 1.674 0.000) 1.674 4.118 ( 0.000 3.480 0.000) 3.480 4.151 ( 0.000 -0.298 0.000) 0.298 4.260 ( 0.000 5.295 0.000) 5.295 4.337 ( 0.000 0.625 0.000) 0.625 4.380 ( 0.000 -1.492 0.000) 1.492 4.455 ( 0.000 -11.765 0.000) 11.765 4.533 ( 0.000 6.153 0.000) 6.153 4.625 ( 0.000 -0.071 0.000) 0.071 4.686 ( 0.000 2.446 0.000) 2.446 4.778 ( 0.000 -4.650 0.000) 4.650 4.860 ( 0.000 2.840 0.000) 2.840 4.902 ( 0.000 0.218 0.000) 0.218 4.904 ( 0.000 2.308 0.000) 2.308 5.002 ( 0.000 -4.558 0.000) 4.558 5.157 ( 0.000 12.917 0.000) 12.917 5.218 ( 0.000 8.358 0.000) 8.358 5.285 ( 0.000 4.850 0.000) 4.850 5.360 ( 0.000 -1.147 0.000) 1.147 5.414 ( 0.000 1.980 0.000) 1.980 5.441 ( 0.000 0.325 0.000) 0.325 5.501 ( 0.000 3.906 0.000) 3.906 5.511 ( 0.000 0.231 0.000) 0.231 5.601 ( 0.000 -3.142 0.000) 3.142 5.646 ( 0.000 -7.278 0.000) 7.278 5.683 ( 0.000 -1.272 0.000) 1.272 5.698 ( 0.000 -4.913 0.000) 4.913 5.851 ( 0.000 2.609 0.000) 2.609 5.917 ( 0.000 -1.537 0.000) 1.537 6.138 ( 0.000 2.569 0.000) 2.569 6.145 ( 0.000 1.483 0.000) 1.483 6.212 ( 0.000 1.832 0.000) 1.832 6.230 ( 0.000 1.941 0.000) 1.941 6.283 ( 0.000 0.909 0.000) 0.909 6.324 ( 0.000 -3.355 0.000) 3.355 6.400 ( 0.000 -0.048 0.000) 0.048 6.452 ( 0.000 -5.121 0.000) 5.121 6.479 ( 0.000 0.651 0.000) 0.651 6.545 ( 0.000 -0.766 0.000) 0.766 6.711 ( 0.000 3.287 0.000) 3.287 6.733 ( 0.000 1.175 0.000) 1.175 6.770 ( 0.000 0.725 0.000) 0.725 6.832 ( 0.000 -3.341 0.000) 3.341 7.459 ( 0.000 3.158 0.000) 3.158 7.486 ( 0.000 0.422 0.000) 0.422 7.556 ( 0.000 0.391 0.000) 0.391 7.639 ( 0.000 -5.283 0.000) 5.283 7.702 ( 0.000 3.352 0.000) 3.352 7.707 ( 0.000 3.293 0.000) 3.293 7.785 ( 0.000 -1.007 0.000) 1.007 7.838 ( 0.000 -4.109 0.000) 4.109 8.920 ( 0.000 -0.325 0.000) 0.325 8.925 ( 0.000 -0.748 0.000) 0.748 9.644 ( 0.000 1.029 0.000) 1.029 9.687 ( 0.000 -3.069 0.000) 3.069 10.398 ( 0.000 14.716 0.000) 14.716 10.734 ( 0.000 -15.073 0.000) 15.073 12.819 ( 0.000 1.573 0.000) 1.573 12.859 ( 0.000 -1.764 0.000) 1.764 12.903 ( 0.000 0.251 0.000) 0.251 12.909 ( 0.000 -0.293 0.000) 0.293 13.023 ( 0.000 1.228 0.000) 1.228 13.030 ( 0.000 1.664 0.000) 1.664 13.055 ( 0.000 -1.571 0.000) 1.571 13.074 ( 0.000 -1.999 0.000) 1.999 13.553 ( 0.000 0.991 0.000) 0.991 13.589 ( 0.000 -2.294 0.000) 2.294 13.693 ( 0.000 0.554 0.000) 0.554 13.702 ( 0.000 -0.263 0.000) 0.263 13.745 ( 0.000 0.988 0.000) 0.988 13.759 ( 0.000 -0.347 0.000) 0.347 13.932 ( 0.000 2.501 0.000) 2.501 13.972 ( 0.000 -1.236 0.000) 1.236 17.164 ( 0.000 -0.061 0.000) 0.061 17.172 ( 0.000 -0.787 0.000) 0.787 17.396 ( 0.000 1.176 0.000) 1.176 17.427 ( 0.000 -1.503 0.000) 1.503 17.756 ( 0.000 0.290 0.000) 0.290 17.772 ( 0.000 -0.140 0.000) 0.140 17.786 ( 0.000 -0.466 0.000) 0.466 17.799 ( 0.000 -0.514 0.000) 0.514 17.840 ( 0.000 0.676 0.000) 0.676 17.860 ( 0.000 -1.098 0.000) 1.098 17.917 ( 0.000 0.338 0.000) 0.338 17.924 ( 0.000 -0.168 0.000) 0.168 18.084 ( 0.000 0.995 0.000) 0.995 18.104 ( 0.000 -0.620 0.000) 0.620 18.238 ( 0.000 2.015 0.000) 2.015 18.268 ( 0.000 -0.163 0.000) 0.163 18.288 ( 0.000 -0.020 0.000) 0.020 18.306 ( 0.000 -1.945 0.000) 1.945 18.380 ( 0.000 2.235 0.000) 2.235 18.421 ( 0.000 -1.676 0.000) 1.676 18.582 ( 0.000 1.918 0.000) 1.918 18.611 ( 0.000 -0.637 0.000) 0.637 18.684 ( 0.000 2.025 0.000) 2.025 18.721 ( 0.000 -1.355 0.000) 1.355 28.544 ( 0.000 0.160 0.000) 0.160 28.550 ( 0.000 -0.354 0.000) 0.354 28.592 ( 0.000 0.358 0.000) 0.358 28.596 ( 0.000 -0.002 0.000) 0.002 28.881 ( 0.000 1.202 0.000) 1.202 28.913 ( 0.000 -1.635 0.000) 1.635 28.947 ( 0.000 0.076 0.000) 0.076 28.949 ( 0.000 -0.016 0.000) 0.016 30.984 ( 0.000 4.430 0.000) 4.430 31.027 ( 0.000 0.573 0.000) 0.573 31.252 ( 0.000 3.785 0.000) 3.785 31.339 ( 0.000 -3.660 0.000) 3.660 31.563 ( 0.000 2.267 0.000) 2.267 31.646 ( 0.000 -4.403 0.000) 4.403 32.179 ( 0.000 1.192 0.000) 1.192 32.188 ( 0.000 0.402 0.000) 0.402 32.496 ( 0.000 7.757 0.000) 7.757 32.696 ( 0.000 -9.820 0.000) 9.820 32.735 ( 0.000 9.201 0.000) 9.201 32.928 ( 0.000 -8.219 0.000) 8.219 33.027 ( 0.000 1.572 0.000) 1.572 33.091 ( 0.000 -3.974 0.000) 3.974 33.348 ( 0.000 0.501 0.000) 0.501 33.393 ( 0.000 -2.905 0.000) 2.905 33.680 ( 0.000 0.456 0.000) 0.456 33.683 ( 0.000 1.053 0.000) 1.053 34.173 ( 0.000 4.676 0.000) 4.676 34.250 ( 0.000 -2.095 0.000) 2.095 34.494 ( 0.000 -0.043 0.000) 0.043 34.506 ( 0.000 -1.455 0.000) 1.455 35.175 ( 0.000 1.244 0.000) 1.244 35.208 ( 0.000 -1.716 0.000) 1.716 ======================= Grid point 15 (10/66) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 5.433 20.812 -3.795) 21.842 1.331 ( 24.203 14.163 3.597) 28.272 1.402 ( 11.709 -2.631 1.000) 12.043 1.524 ( 6.598 -6.658 7.896) 12.256 1.604 ( 0.634 4.075 8.024) 9.021 1.788 ( 2.318 4.408 -2.591) 5.614 1.834 ( 1.422 -9.771 3.323) 10.418 2.081 ( -2.234 -10.939 -1.054) 11.214 2.218 ( 2.384 -0.462 -0.612) 2.504 2.306 ( -2.242 7.031 0.646) 7.408 2.404 ( -5.413 -3.368 0.504) 6.396 2.548 ( -6.639 -9.030 3.891) 11.864 2.586 ( 2.099 1.329 -4.109) 4.802 2.648 ( -0.393 -4.874 -4.006) 6.321 2.712 ( 3.319 -1.005 7.238) 8.026 2.808 ( 2.102 -10.631 -4.050) 11.569 2.895 ( 1.703 10.573 0.013) 10.710 2.997 ( -0.898 -1.504 -0.057) 1.753 3.101 ( 4.310 6.255 1.968) 7.847 3.151 ( 0.566 -3.031 1.175) 3.299 3.175 ( -2.664 -3.700 1.786) 4.897 3.289 ( -4.273 -0.551 1.166) 4.464 3.313 ( 1.951 -5.168 0.262) 5.530 3.395 ( -1.693 -1.553 1.274) 2.627 3.470 ( -4.086 5.038 -3.145) 7.209 3.592 ( -1.156 -3.121 -6.567) 7.362 3.699 ( -0.845 -1.379 -4.838) 5.102 3.725 ( -3.577 -5.234 0.215) 6.343 3.799 ( -1.989 0.055 -3.097) 3.681 3.811 ( -3.520 -1.893 3.023) 5.012 3.975 ( 2.530 0.369 5.072) 5.679 3.996 ( 1.589 -2.000 -1.062) 2.766 4.014 ( 1.525 2.168 0.938) 2.812 4.070 ( 1.457 -2.492 -3.575) 4.595 4.151 ( 4.393 3.276 -3.425) 6.462 4.178 ( 3.049 0.795 2.134) 3.806 4.319 ( 4.727 4.366 1.103) 6.529 4.348 ( -0.574 2.183 3.743) 4.371 4.391 ( 1.716 -2.805 -1.558) 3.639 4.493 ( 3.108 -7.860 -1.338) 8.557 4.528 ( -0.570 4.898 2.392) 5.480 4.624 ( -5.175 6.995 -0.122) 8.701 4.636 ( -0.741 -2.379 -0.006) 2.492 4.770 ( -3.004 -2.301 1.815) 4.197 4.867 ( 1.123 -0.546 -2.283) 2.603 4.911 ( 1.960 -1.868 1.585) 3.137 4.968 ( 3.281 3.235 3.335) 5.688 5.035 ( 1.977 -1.115 0.406) 2.306 5.121 ( -0.825 8.958 -1.706) 9.156 5.197 ( -0.116 2.993 -3.967) 4.971 5.224 ( -2.967 5.059 -5.087) 7.764 5.325 ( -0.443 1.967 0.023) 2.016 5.355 ( -5.632 -0.934 -0.752) 5.758 5.431 ( -1.885 3.101 -2.129) 4.207 5.495 ( -0.651 5.930 4.106) 7.242 5.511 ( -1.407 -4.867 -1.207) 5.207 5.608 ( 1.026 -3.441 0.814) 3.682 5.665 ( -0.918 -7.816 2.566) 8.277 5.710 ( 1.246 -0.591 2.121) 2.530 5.714 ( 0.564 -1.012 4.783) 4.922 5.867 ( 0.529 5.361 2.579) 5.972 5.980 ( 4.264 -2.869 -1.032) 5.242 6.060 ( -1.822 1.100 -5.189) 5.609 6.101 ( -4.772 -2.402 -5.560) 7.711 6.178 ( 1.013 4.752 -2.184) 5.327 6.247 ( 1.399 -0.701 1.407) 2.105 6.331 ( 3.056 3.758 2.542) 5.470 6.378 ( -1.461 0.706 -2.478) 2.962 6.402 ( 1.551 -0.357 2.215) 2.727 6.451 ( -1.790 1.460 -1.099) 2.558 6.473 ( 0.609 -6.078 4.630) 7.665 6.523 ( -1.260 -2.544 1.049) 3.026 6.657 ( -3.727 2.684 -4.081) 6.144 6.719 ( -2.086 -1.726 -0.757) 2.812 6.757 ( 0.273 4.665 0.418) 4.692 6.862 ( 2.992 -3.856 0.351) 4.893 7.446 ( -0.275 3.135 -1.442) 3.462 7.488 ( -0.210 -0.813 -0.596) 1.030 7.539 ( -2.399 2.253 1.034) 3.449 7.619 ( -2.732 -3.430 -0.115) 4.387 7.683 ( 1.003 2.860 -0.053) 3.031 7.730 ( 0.146 -0.709 0.261) 0.770 7.788 ( 1.772 2.866 1.640) 3.748 7.880 ( 1.576 -4.700 2.081) 5.377 8.867 ( -3.316 5.001 1.433) 6.169 8.962 ( 3.179 -3.757 -4.789) 6.867 9.654 ( 0.593 2.196 1.992) 3.023 9.744 ( 3.834 -6.526 4.580) 8.846 10.344 ( -4.171 12.985 -3.496) 14.079 10.634 ( -7.829 -12.412 -5.972) 15.844 12.806 ( -1.272 1.789 -0.097) 2.197 12.854 ( -0.742 -2.292 0.150) 2.413 12.890 ( -0.615 0.473 -0.744) 1.075 12.902 ( -0.006 -0.610 -1.029) 1.196 13.028 ( 0.286 1.620 0.310) 1.674 13.047 ( 1.204 1.073 1.054) 1.926 13.073 ( 0.779 -1.015 0.192) 1.294 13.097 ( 2.624 -1.705 0.706) 3.208 13.537 ( -1.546 0.945 -0.131) 1.817 13.571 ( -1.586 -2.157 -0.468) 2.718 13.681 ( -0.837 0.550 -0.533) 1.134 13.693 ( -0.799 -0.506 -0.319) 0.999 13.762 ( 1.310 0.924 0.868) 1.823 13.775 ( 1.252 -0.283 0.762) 1.492 13.916 ( -1.698 2.187 -0.072) 2.770 13.950 ( -2.200 -0.945 -0.275) 2.410 17.161 ( -0.225 -0.073 -0.272) 0.360 17.169 ( -0.368 -0.885 0.083) 0.963 17.390 ( -0.564 1.383 -0.055) 1.495 17.425 ( -0.211 -1.697 0.086) 1.712 17.725 ( -1.814 0.678 -0.726) 2.069 17.749 ( -1.985 -1.530 -0.554) 2.567 17.772 ( -0.288 0.499 -0.306) 0.652 17.785 ( -0.628 -0.557 -0.126) 0.848 17.858 ( 0.110 0.728 -0.426) 0.851 17.871 ( 0.254 -0.483 0.076) 0.551 17.935 ( 0.098 0.466 1.883) 1.942 17.945 ( 0.671 -0.503 3.092) 3.203 18.066 ( -0.838 1.637 -1.299) 2.251 18.103 ( -0.075 -1.428 -0.349) 1.472 18.232 ( -1.159 1.884 -0.058) 2.213 18.263 ( 1.986 -0.621 -2.893) 3.564 18.308 ( 2.836 -0.319 -2.921) 4.084 18.310 ( 1.012 -0.686 -0.502) 1.322 18.387 ( -0.318 1.208 2.513) 2.806 18.416 ( -1.142 -1.482 1.469) 2.379 18.598 ( 1.253 2.310 0.122) 2.631 18.629 ( 1.777 -0.194 0.057) 1.789 18.695 ( 0.866 1.219 0.785) 1.689 18.722 ( 0.111 -1.099 0.262) 1.136 28.541 ( -0.397 0.268 0.168) 0.508 28.549 ( -0.176 -0.466 0.145) 0.519 28.596 ( 0.536 0.649 0.089) 0.846 28.608 ( 0.954 -0.372 0.232) 1.050 28.879 ( -0.241 1.109 -0.017) 1.135 28.908 ( -0.515 -1.503 0.026) 1.589 28.943 ( -0.159 0.481 -0.132) 0.524 28.953 ( 0.331 -0.399 -0.274) 0.586 31.005 ( 1.630 6.034 2.246) 6.642 31.079 ( 3.028 0.121 2.204) 3.747 31.334 ( 5.923 -0.419 2.856) 6.588 31.369 ( 4.164 -2.120 2.078) 5.113 31.577 ( 2.453 1.596 -1.751) 3.411 31.655 ( 1.372 -4.700 -1.180) 5.036 32.163 ( -0.409 1.253 -3.389) 3.636 32.183 ( 0.515 -0.467 -2.535) 2.629 32.505 ( 0.757 7.616 0.376) 7.663 32.703 ( 1.031 -10.022 -0.689) 10.099 32.759 ( 2.757 8.781 -0.260) 9.208 32.931 ( -0.408 -6.717 1.356) 6.864 33.034 ( 1.067 4.836 1.769) 5.259 33.156 ( 4.594 -5.897 3.993) 8.475 33.341 ( -0.900 1.523 0.940) 2.003 33.419 ( 3.107 -4.752 -1.319) 5.829 33.618 ( -3.977 2.307 -4.399) 6.363 33.661 ( -2.302 -0.709 -1.737) 2.969 34.181 ( -1.076 3.328 3.355) 4.847 34.230 ( -3.094 -1.401 2.110) 3.999 34.500 ( 0.492 0.620 1.293) 1.516 34.526 ( 2.941 -1.706 -1.596) 3.756 35.089 ( -10.815 1.013 -2.970) 11.261 35.092 ( -8.283 0.242 -1.864) 8.494 ======================= Grid point 16 (11/66) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 10.094 20.483 -2.321) 22.953 1.478 ( 2.303 3.922 6.673) 8.075 1.637 ( 3.177 -4.713 3.261) 6.553 1.687 ( 0.107 6.545 -0.433) 6.560 1.759 ( 1.253 -2.387 2.948) 3.995 1.921 ( 15.108 1.964 6.895) 16.723 1.966 ( 7.185 -4.695 2.284) 8.882 2.057 ( 7.816 -10.944 0.442) 13.456 2.217 ( 0.887 -1.253 -4.013) 4.297 2.275 ( -3.134 7.051 0.961) 7.776 2.347 ( 0.245 -2.775 0.169) 2.791 2.492 ( -4.111 -7.720 6.165) 10.700 2.578 ( 0.046 -3.549 -3.961) 5.319 2.627 ( 0.380 -8.976 -2.679) 9.375 2.776 ( 1.732 1.621 3.082) 3.889 2.846 ( 3.815 -8.258 -0.197) 9.099 2.913 ( -1.215 2.880 -2.401) 3.941 2.995 ( -1.497 -1.436 1.344) 2.472 3.070 ( -2.308 1.457 -0.335) 2.749 3.097 ( -3.249 -1.282 -3.046) 4.635 3.158 ( -2.344 1.566 0.925) 2.967 3.228 ( -4.634 -3.617 -1.507) 6.069 3.330 ( -0.459 4.385 2.401) 5.020 3.428 ( -0.525 1.485 2.242) 2.740 3.473 ( 7.133 -0.631 -1.358) 7.289 3.531 ( 1.000 -1.177 -1.107) 1.900 3.606 ( -3.352 0.536 -2.616) 4.285 3.733 ( 1.325 -5.264 -0.491) 5.451 3.784 ( -0.103 0.381 0.481) 0.622 3.813 ( 1.590 -3.244 0.930) 3.731 3.965 ( -2.639 0.562 -2.206) 3.485 4.019 ( 0.998 -3.713 1.686) 4.198 4.044 ( 0.373 3.956 -0.126) 3.975 4.108 ( -0.469 1.633 0.409) 1.748 4.167 ( 2.152 -1.482 -3.572) 4.425 4.209 ( 0.851 -1.665 -1.325) 2.292 4.333 ( -2.986 2.712 -1.053) 4.169 4.373 ( -2.439 -0.903 -2.739) 3.778 4.428 ( 4.268 4.698 2.228) 6.727 4.496 ( 0.014 4.337 1.043) 4.461 4.540 ( -2.362 4.409 0.188) 5.006 4.562 ( -1.005 3.623 2.632) 4.589 4.610 ( -0.029 -5.125 2.336) 5.633 4.737 ( -1.247 -5.974 -0.163) 6.104 4.845 ( 0.038 4.443 -5.232) 6.864 4.938 ( -0.272 -4.120 -2.193) 4.675 5.009 ( -0.026 3.787 0.445) 3.813 5.047 ( 0.213 0.441 2.525) 2.572 5.134 ( 1.216 4.380 1.170) 4.694 5.208 ( 3.662 1.838 -2.455) 4.776 5.218 ( 0.808 -0.917 1.731) 2.119 5.270 ( -1.436 -0.875 0.066) 1.683 5.326 ( -0.994 0.944 -1.072) 1.740 5.368 ( -1.336 10.388 -1.013) 10.523 5.482 ( 0.544 -9.007 -2.053) 9.254 5.513 ( -0.211 5.220 1.491) 5.433 5.625 ( -1.927 -8.386 0.821) 8.644 5.629 ( -2.594 -4.285 0.665) 5.053 5.751 ( 0.201 0.307 4.766) 4.780 5.767 ( 1.478 -0.555 3.399) 3.748 5.870 ( -1.946 5.490 2.453) 6.320 5.980 ( -2.521 -3.826 -1.183) 4.732 6.016 ( -0.775 0.508 -3.491) 3.612 6.029 ( 0.740 0.398 -2.412) 2.554 6.198 ( 2.901 5.320 -1.890) 6.347 6.268 ( 0.161 0.695 -1.019) 1.244 6.312 ( -3.418 1.456 -2.396) 4.421 6.350 ( -0.612 -1.783 -1.264) 2.270 6.407 ( -0.746 3.123 0.505) 3.250 6.449 ( 1.208 2.131 1.144) 2.704 6.481 ( -1.403 -1.664 0.763) 2.307 6.560 ( 0.926 -5.878 0.443) 5.967 6.583 ( -1.419 4.255 0.038) 4.485 6.677 ( -0.029 -3.391 -1.758) 3.820 6.791 ( 1.508 5.819 2.214) 6.406 6.926 ( 3.695 -6.006 0.411) 7.064 7.433 ( -0.412 2.026 -1.063) 2.325 7.463 ( -1.197 0.310 -1.348) 1.829 7.507 ( -1.962 3.800 1.267) 4.460 7.576 ( -1.697 -1.614 -0.028) 2.342 7.715 ( 1.925 1.467 0.426) 2.457 7.744 ( 0.504 -1.498 0.724) 1.738 7.831 ( 1.493 2.352 1.372) 3.106 7.905 ( -0.083 -4.263 1.445) 4.502 8.835 ( -1.422 7.592 0.542) 7.743 8.964 ( 0.693 -4.093 -2.793) 5.003 9.690 ( 1.330 4.536 2.515) 5.354 9.857 ( 4.354 -10.331 4.797) 12.194 10.240 ( -3.685 8.335 -3.458) 9.747 10.434 ( -8.577 -8.066 -7.125) 13.762 12.782 ( -1.192 2.204 -0.136) 2.510 12.839 ( -0.894 -2.640 0.058) 2.788 12.882 ( 0.167 0.301 -0.561) 0.658 12.896 ( -0.039 -0.769 -0.697) 1.039 13.037 ( 0.416 1.269 0.283) 1.365 13.058 ( -0.123 -0.593 0.199) 0.637 13.104 ( 1.830 1.711 0.709) 2.604 13.138 ( 1.408 -1.022 0.260) 1.759 13.511 ( -1.130 0.373 0.066) 1.192 13.538 ( -1.659 -1.990 -0.278) 2.606 13.665 ( -0.557 0.194 -0.399) 0.712 13.674 ( -0.963 -0.630 -0.323) 1.195 13.794 ( 1.615 0.903 0.675) 1.970 13.805 ( 1.546 -0.196 0.623) 1.679 13.883 ( -1.798 1.524 -0.074) 2.358 13.906 ( -2.404 -0.592 -0.258) 2.490 17.155 ( -0.153 -0.131 -0.267) 0.335 17.163 ( -0.314 -0.992 0.049) 1.042 17.381 ( -0.386 1.589 -0.013) 1.635 17.422 ( -0.175 -1.992 0.081) 2.001 17.708 ( -0.030 0.258 0.226) 0.344 17.723 ( -0.716 -1.096 0.077) 1.311 17.760 ( -0.849 0.345 -0.520) 1.054 17.775 ( -0.476 -0.998 -0.364) 1.165 17.848 ( -0.458 1.407 -0.379) 1.528 17.869 ( -0.132 -0.348 0.236) 0.441 17.933 ( -1.291 1.079 0.696) 1.821 17.953 ( -1.337 -0.780 1.156) 1.932 18.052 ( 0.034 1.928 -0.773) 2.078 18.099 ( -0.033 -1.782 -0.381) 1.823 18.212 ( -0.231 2.986 -1.061) 3.177 18.284 ( 0.880 -3.135 0.618) 3.314 18.328 ( 2.808 0.491 -3.130) 4.233 18.339 ( 2.186 0.069 -1.699) 2.770 18.402 ( -0.520 -0.131 2.734) 2.786 18.410 ( -0.591 -0.928 1.612) 1.952 18.611 ( 0.289 3.039 -0.059) 3.053 18.661 ( 1.500 -0.967 0.081) 1.786 18.712 ( 0.327 1.238 0.570) 1.402 18.736 ( 1.133 -0.807 0.508) 1.480 28.536 ( -0.303 0.407 0.165) 0.534 28.547 ( -0.161 -0.602 0.144) 0.640 28.607 ( 0.510 0.926 0.119) 1.064 28.625 ( 0.728 -0.642 0.206) 0.993 28.874 ( -0.224 0.956 -0.029) 0.982 28.900 ( -0.422 -1.326 0.036) 1.392 28.941 ( -0.002 0.659 -0.126) 0.671 28.955 ( 0.211 -0.638 -0.216) 0.706 31.055 ( 1.650 6.511 2.675) 7.230 31.127 ( 1.017 0.618 0.984) 1.544 31.410 ( 2.633 2.123 1.690) 3.781 31.521 ( 6.635 -4.067 4.486) 8.983 31.619 ( 3.992 -2.019 -2.529) 5.139 31.665 ( 0.933 -4.641 -1.708) 5.033 32.121 ( -1.395 2.025 -3.023) 3.897 32.169 ( 0.120 -2.316 -2.258) 3.237 32.521 ( 0.600 7.529 0.321) 7.559 32.716 ( 0.904 -9.650 -0.754) 9.722 32.809 ( 3.089 7.065 -0.826) 7.755 32.933 ( -0.430 -3.817 1.113) 3.999 33.096 ( 3.592 9.453 3.419) 10.675 33.274 ( 4.809 -4.457 3.659) 7.509 33.332 ( -0.388 0.725 -0.284) 0.870 33.460 ( 0.578 -8.134 1.221) 8.246 33.506 ( -3.832 4.318 -4.968) 7.617 33.602 ( -1.391 -3.064 -3.423) 4.800 34.166 ( -4.201 1.218 4.948) 6.604 34.187 ( -2.539 -0.718 0.216) 2.647 34.545 ( 3.957 1.597 1.316) 4.465 34.581 ( 4.837 -1.521 -1.424) 5.267 34.872 ( -10.721 2.410 -2.037) 11.176 34.905 ( -10.689 -0.911 -2.222) 10.956 ======================= Grid point 17 (12/66) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 17.135 0.000) 17.135 1.527 ( -0.000 3.003 0.000) 3.003 1.625 ( 0.000 16.285 0.000) 16.285 1.721 ( -0.000 -6.007 0.000) 6.007 1.755 ( 0.000 -16.856 -0.000) 16.856 1.941 ( 0.000 -7.337 -0.000) 7.337 2.095 ( 0.000 9.935 0.000) 9.935 2.145 ( 0.000 2.101 -0.000) 2.101 2.246 ( 0.000 5.895 -0.000) 5.895 2.319 ( 0.000 -6.556 0.000) 6.556 2.384 ( 0.000 1.754 0.000) 1.754 2.479 ( 0.000 -8.525 -0.000) 8.525 2.546 ( 0.000 -8.666 0.000) 8.666 2.613 ( 0.000 -10.185 0.000) 10.185 2.821 ( -0.000 1.334 0.000) 1.334 2.875 ( -0.000 0.462 0.000) 0.462 2.887 ( 0.000 -9.128 -0.000) 9.128 2.953 ( 0.000 -3.080 -0.000) 3.080 3.057 ( -0.000 0.173 0.000) 0.173 3.076 ( 0.000 -1.324 -0.000) 1.324 3.135 ( 0.000 0.706 0.000) 0.706 3.186 ( 0.000 -0.483 -0.000) 0.483 3.316 ( 0.000 0.720 -0.000) 0.720 3.402 ( 0.000 -4.348 0.000) 4.348 3.499 ( 0.000 -2.594 0.000) 2.594 3.548 ( 0.000 -1.582 0.000) 1.582 3.691 ( -0.000 3.119 -0.000) 3.119 3.724 ( 0.000 0.669 0.000) 0.669 3.777 ( 0.000 6.763 0.000) 6.763 3.838 ( -0.000 2.069 -0.000) 2.069 3.894 ( 0.000 5.760 0.000) 5.760 4.015 ( 0.000 2.984 -0.000) 2.984 4.061 ( -0.000 -6.429 0.000) 6.429 4.100 ( 0.000 -5.165 -0.000) 5.165 4.146 ( 0.000 -0.880 0.000) 0.880 4.219 ( 0.000 -4.121 -0.000) 4.121 4.275 ( 0.000 5.247 -0.000) 5.247 4.320 ( 0.000 0.647 0.000) 0.647 4.471 ( 0.000 4.692 0.000) 4.692 4.523 ( 0.000 4.354 0.000) 4.354 4.527 ( 0.000 2.522 0.000) 2.522 4.605 ( 0.000 -0.866 0.000) 0.866 4.609 ( -0.000 5.671 -0.000) 5.671 4.710 ( 0.000 -4.536 0.000) 4.536 4.848 ( 0.000 -1.411 -0.000) 1.411 4.884 ( 0.000 -2.833 0.000) 2.833 5.010 ( 0.000 2.219 -0.000) 2.219 5.078 ( 0.000 -1.077 -0.000) 1.077 5.156 ( 0.000 1.952 0.000) 1.952 5.178 ( 0.000 0.832 -0.000) 0.832 5.249 ( 0.000 3.420 0.000) 3.420 5.286 ( 0.000 3.185 0.000) 3.185 5.310 ( 0.000 2.445 -0.000) 2.445 5.371 ( 0.000 2.677 0.000) 2.677 5.486 ( 0.000 -10.356 0.000) 10.356 5.519 ( 0.000 5.839 0.000) 5.839 5.575 ( 0.000 -9.807 -0.000) 9.807 5.620 ( 0.000 -3.710 -0.000) 3.710 5.775 ( 0.000 0.506 0.000) 0.506 5.795 ( 0.000 -0.691 0.000) 0.691 5.861 ( -0.000 5.192 0.000) 5.192 5.949 ( 0.000 -2.344 0.000) 2.344 5.991 ( 0.000 1.508 -0.000) 1.508 6.031 ( 0.000 -0.864 0.000) 0.864 6.230 ( -0.000 6.640 0.000) 6.640 6.245 ( 0.000 2.319 0.000) 2.319 6.267 ( 0.000 1.038 -0.000) 1.038 6.340 ( 0.000 -2.530 -0.000) 2.530 6.404 ( 0.000 3.479 0.000) 3.479 6.463 ( 0.000 -2.154 -0.000) 2.154 6.464 ( -0.000 1.873 0.000) 1.873 6.563 ( 0.000 -5.902 0.000) 5.902 6.576 ( 0.000 5.768 0.000) 5.768 6.682 ( 0.000 -3.717 0.000) 3.717 6.816 ( 0.000 6.056 0.000) 6.056 6.966 ( 0.000 -7.554 0.000) 7.554 7.418 ( 0.000 2.577 -0.000) 2.577 7.453 ( 0.000 -0.847 0.000) 0.847 7.492 ( 0.000 5.396 -0.000) 5.396 7.562 ( 0.000 -1.727 0.000) 1.727 7.740 ( 0.000 0.472 0.000) 0.472 7.747 ( 0.000 -0.443 0.000) 0.443 7.851 ( 0.000 1.182 -0.000) 1.182 7.907 ( -0.000 -3.791 0.000) 3.791 8.825 ( 0.000 7.905 0.000) 7.905 8.957 ( 0.000 -4.048 -0.000) 4.048 9.717 ( 0.000 6.144 0.000) 6.144 9.921 ( 0.000 -10.113 0.000) 10.113 10.206 ( 0.000 1.529 0.000) 1.529 10.304 ( 0.000 -3.530 -0.000) 3.530 12.771 ( 0.000 2.410 0.000) 2.410 12.831 ( 0.000 -2.702 0.000) 2.702 12.883 ( 0.000 0.004 0.000) 0.004 12.892 ( 0.000 -0.661 -0.000) 0.661 13.042 ( 0.000 0.977 -0.000) 0.977 13.056 ( 0.000 -0.340 0.000) 0.340 13.125 ( 0.000 1.885 0.000) 1.885 13.149 ( 0.000 -0.376 0.000) 0.376 13.503 ( -0.000 -0.261 0.000) 0.261 13.520 ( 0.000 -1.815 -0.000) 1.815 13.659 ( 0.000 -0.207 -0.000) 0.207 13.663 ( 0.000 -0.436 -0.000) 0.436 13.817 ( 0.000 0.910 -0.000) 0.910 13.823 ( -0.000 0.198 -0.000) 0.198 13.866 ( 0.000 0.559 0.000) 0.559 13.876 ( 0.000 -0.162 -0.000) 0.162 17.153 ( 0.000 -0.155 0.000) 0.155 17.160 ( 0.000 -1.028 0.000) 1.028 17.378 ( 0.000 1.640 0.000) 1.640 17.421 ( 0.000 -2.097 0.000) 2.097 17.715 ( 0.000 -0.248 -0.000) 0.248 17.720 ( 0.000 -0.669 0.000) 0.669 17.745 ( 0.000 0.619 0.000) 0.619 17.767 ( 0.000 -1.476 0.000) 1.476 17.843 ( 0.000 1.841 0.000) 1.841 17.872 ( 0.000 -0.541 -0.000) 0.541 17.920 ( 0.000 1.283 0.000) 1.283 17.942 ( 0.000 -0.730 0.000) 0.730 18.050 ( 0.000 1.909 0.000) 1.909 18.097 ( -0.000 -1.845 0.000) 1.845 18.208 ( 0.000 3.486 0.000) 3.486 18.294 ( 0.000 -3.576 -0.000) 3.576 18.345 ( -0.000 -0.172 0.000) 0.172 18.350 ( 0.000 0.433 -0.000) 0.433 18.405 ( 0.000 0.072 -0.000) 0.072 18.416 ( 0.000 -1.001 -0.000) 1.001 18.613 ( 0.000 3.265 -0.000) 3.265 18.673 ( 0.000 -2.165 0.000) 2.165 18.718 ( 0.000 2.284 0.000) 2.284 18.750 ( 0.000 -0.832 -0.000) 0.832 28.534 ( 0.000 0.459 0.000) 0.459 28.546 ( 0.000 -0.652 0.000) 0.652 28.612 ( 0.000 1.043 0.000) 1.043 28.632 ( 0.000 -0.715 0.000) 0.715 28.872 ( 0.000 0.891 0.000) 0.891 28.896 ( 0.000 -1.274 0.000) 1.274 28.940 ( 0.000 0.699 0.000) 0.699 28.956 ( 0.000 -0.717 0.000) 0.717 31.084 ( 0.000 6.243 0.000) 6.243 31.135 ( 0.000 1.048 0.000) 1.048 31.441 ( 0.000 3.669 0.000) 3.669 31.607 ( 0.000 2.771 0.000) 2.771 31.637 ( -0.000 -13.294 -0.000) 13.294 31.674 ( 0.000 -2.507 0.000) 2.507 32.092 ( 0.000 3.043 0.000) 3.043 32.160 ( 0.000 -3.331 0.000) 3.331 32.527 ( 0.000 7.505 0.000) 7.505 32.720 ( 0.000 -9.257 0.000) 9.257 32.835 ( 0.000 6.068 0.000) 6.068 32.933 ( 0.000 -2.473 0.000) 2.473 33.161 ( 0.000 12.934 0.000) 12.934 33.294 ( 0.000 3.435 0.000) 3.435 33.382 ( 0.000 -3.630 0.000) 3.630 33.409 ( 0.000 -7.163 0.000) 7.163 33.477 ( 0.000 0.582 0.000) 0.582 33.582 ( 0.000 -6.327 -0.000) 6.327 34.142 ( 0.000 0.141 -0.000) 0.141 34.161 ( 0.000 -0.223 0.000) 0.223 34.624 ( 0.000 1.396 0.000) 1.396 34.638 ( 0.000 0.003 0.000) 0.003 34.754 ( 0.000 0.248 0.000) 0.248 34.759 ( -0.000 -0.454 -0.000) 0.454 ======================= Grid point 35 (13/66) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -0.443 0.000 28.360) 28.364 0.584 ( 4.157 0.000 29.791) 30.080 0.907 ( 4.427 0.000 44.977) 45.195 1.243 ( -3.348 0.000 8.768) 9.385 1.946 ( -3.107 0.000 3.277) 4.515 1.999 ( 0.407 0.000 -1.329) 1.390 2.161 ( 1.453 0.000 1.476) 2.071 2.168 ( 8.409 0.000 2.631) 8.811 2.244 ( 2.020 0.000 -2.829) 3.476 2.586 ( -1.879 0.000 -9.645) 9.827 2.599 ( -0.299 0.000 0.033) 0.301 2.626 ( 8.684 0.000 -6.264) 10.708 2.650 ( 0.442 0.000 -0.046) 0.444 2.733 ( -2.044 0.000 1.111) 2.326 2.830 ( -1.470 0.000 -0.943) 1.746 2.930 ( -6.479 0.000 -1.459) 6.641 3.013 ( -0.473 0.000 2.151) 2.202 3.051 ( -9.044 0.000 1.165) 9.118 3.159 ( 1.120 0.000 -0.010) 1.120 3.177 ( -7.125 0.000 -1.401) 7.261 3.212 ( 3.831 0.000 0.271) 3.840 3.289 ( -2.046 0.000 2.956) 3.595 3.350 ( 0.896 0.000 -2.310) 2.478 3.462 ( -2.881 0.000 -0.846) 3.003 3.476 ( -1.549 0.000 4.596) 4.850 3.680 ( -2.447 0.000 -6.494) 6.940 3.761 ( -2.653 0.000 -3.625) 4.493 3.770 ( 5.642 0.000 -5.139) 7.631 3.800 ( 5.354 0.000 1.245) 5.497 3.846 ( -1.243 0.000 2.149) 2.482 3.936 ( -0.365 0.000 -1.709) 1.747 3.972 ( 5.024 0.000 1.853) 5.354 4.056 ( 3.275 0.000 -4.456) 5.530 4.104 ( 10.193 0.000 4.450) 11.122 4.187 ( 6.673 0.000 0.362) 6.682 4.221 ( 7.362 0.000 -0.396) 7.373 4.226 ( 2.490 0.000 2.604) 3.602 4.277 ( 2.374 0.000 -2.987) 3.815 4.420 ( -1.435 0.000 -2.125) 2.564 4.451 ( 2.345 0.000 -2.117) 3.159 4.505 ( -11.578 0.000 6.265) 13.164 4.594 ( -5.829 0.000 6.820) 8.972 4.630 ( 1.331 0.000 3.035) 3.314 4.647 ( -2.521 0.000 -3.149) 4.034 4.696 ( -0.451 0.000 7.697) 7.710 4.805 ( 2.484 0.000 4.341) 5.001 4.983 ( -9.597 0.000 -8.777) 13.005 5.018 ( -5.370 0.000 -1.568) 5.594 5.061 ( 2.905 0.000 -0.414) 2.934 5.149 ( 1.979 0.000 1.211) 2.320 5.153 ( -6.215 0.000 -5.113) 8.048 5.294 ( 2.036 0.000 2.826) 3.483 5.401 ( 3.293 0.000 2.966) 4.432 5.417 ( -2.565 0.000 -2.050) 3.284 5.421 ( -3.060 0.000 -1.607) 3.456 5.564 ( 2.961 0.000 0.552) 3.012 5.623 ( -1.161 0.000 -1.702) 2.060 5.658 ( 2.267 0.000 4.102) 4.687 5.708 ( -1.078 0.000 0.966) 1.448 5.867 ( 4.311 0.000 -8.385) 9.429 5.905 ( -1.054 0.000 -0.032) 1.055 5.908 ( -0.079 0.000 -2.035) 2.037 6.036 ( -2.673 0.000 -1.486) 3.058 6.068 ( -5.490 0.000 0.824) 5.551 6.142 ( -1.725 0.000 -7.456) 7.653 6.256 ( -2.744 0.000 5.331) 5.995 6.284 ( 1.670 0.000 0.598) 1.774 6.334 ( 3.069 0.000 -4.596) 5.526 6.429 ( 0.623 0.000 3.875) 3.925 6.486 ( -2.982 0.000 -2.520) 3.904 6.558 ( -4.325 0.000 -1.816) 4.691 6.599 ( 1.132 0.000 3.462) 3.642 6.621 ( 6.808 0.000 -2.116) 7.129 6.769 ( 0.854 0.000 5.829) 5.891 6.833 ( 4.465 0.000 -3.867) 5.907 6.999 ( -10.192 0.000 -1.207) 10.264 7.205 ( -0.255 0.000 3.371) 3.381 7.445 ( 4.368 0.000 -0.832) 4.446 7.479 ( -5.708 0.000 0.685) 5.748 7.521 ( 0.461 0.000 1.093) 1.186 7.592 ( -3.325 0.000 -2.439) 4.123 7.744 ( 1.675 0.000 2.116) 2.699 7.803 ( 0.720 0.000 -0.524) 0.890 7.978 ( 16.428 0.000 -3.312) 16.758 8.398 ( -1.683 0.000 3.463) 3.851 9.246 ( -32.284 0.000 -4.253) 32.563 9.654 ( 0.245 0.000 4.177) 4.184 10.010 ( -4.344 0.000 -2.101) 4.825 10.225 ( 0.193 0.000 -2.137) 2.146 10.310 ( 35.962 0.000 -3.836) 36.166 12.794 ( -0.932 0.000 -0.044) 0.933 12.868 ( 1.191 0.000 -1.833) 2.186 12.904 ( 0.353 0.000 1.470) 1.511 12.947 ( -0.714 0.000 1.634) 1.783 12.950 ( 0.081 0.000 -0.128) 0.151 13.055 ( -1.270 0.000 -0.125) 1.276 13.090 ( 2.152 0.000 0.124) 2.156 13.127 ( -0.315 0.000 -0.345) 0.467 13.548 ( -0.212 0.000 0.951) 0.974 13.668 ( -0.984 0.000 -0.881) 1.321 13.676 ( -0.216 0.000 -0.535) 0.577 13.716 ( -0.699 0.000 1.216) 1.402 13.739 ( 0.536 0.000 -0.121) 0.550 13.784 ( 0.177 0.000 0.863) 0.881 13.790 ( 0.681 0.000 -0.408) 0.794 13.947 ( -0.023 0.000 -1.301) 1.302 17.188 ( -1.096 0.000 1.411) 1.787 17.353 ( 0.052 0.000 -0.329) 0.333 17.361 ( 0.679 0.000 0.939) 1.159 17.465 ( 0.419 0.000 -0.162) 0.449 17.692 ( 0.153 0.000 0.184) 0.240 17.735 ( 0.644 0.000 -0.140) 0.659 17.768 ( -0.148 0.000 0.108) 0.184 17.814 ( 1.619 0.000 -0.830) 1.819 17.832 ( -0.673 0.000 0.261) 0.721 17.882 ( 2.943 0.000 -0.242) 2.953 17.913 ( -1.656 0.000 -0.246) 1.675 17.966 ( 6.990 0.000 -2.279) 7.352 18.042 ( -0.362 0.000 0.636) 0.732 18.045 ( 0.624 0.000 -0.124) 0.636 18.216 ( 0.737 0.000 0.903) 1.166 18.293 ( -3.820 0.000 1.081) 3.970 18.313 ( -0.689 0.000 1.906) 2.027 18.365 ( -0.897 0.000 1.034) 1.369 18.434 ( -5.955 0.000 0.757) 6.003 18.469 ( 1.193 0.000 -0.343) 1.242 18.583 ( -2.777 0.000 -1.249) 3.045 18.605 ( 3.331 0.000 -0.193) 3.337 18.640 ( -8.232 0.000 0.351) 8.239 18.719 ( 0.075 0.000 -0.646) 0.650 28.544 ( 0.159 0.000 0.101) 0.188 28.565 ( -0.099 0.000 0.156) 0.185 28.570 ( -0.089 0.000 -0.316) 0.329 28.593 ( 0.449 0.000 0.014) 0.449 28.861 ( -0.364 0.000 0.405) 0.545 28.934 ( 0.316 0.000 -0.237) 0.396 28.947 ( 0.002 0.000 -0.057) 0.057 28.955 ( 0.304 0.000 -0.264) 0.402 30.837 ( -0.023 0.000 3.067) 3.067 30.962 ( 0.199 0.000 0.669) 0.698 31.238 ( 20.872 0.000 1.715) 20.943 31.426 ( 0.082 0.000 1.452) 1.455 31.540 ( -0.749 0.000 -1.330) 1.526 31.626 ( 0.950 0.000 -2.750) 2.909 31.758 ( 1.749 0.000 3.311) 3.745 32.232 ( -1.139 0.000 0.527) 1.256 32.437 ( -0.486 0.000 0.807) 0.942 32.700 ( 1.208 0.000 -2.466) 2.746 32.820 ( -10.392 0.000 -3.752) 11.049 33.088 ( 3.879 0.000 -2.241) 4.479 33.128 ( -5.187 0.000 -8.556) 10.005 33.255 ( 2.216 0.000 -5.678) 6.095 33.360 ( 3.619 0.000 1.519) 3.925 33.410 ( 7.607 0.000 3.459) 8.357 33.607 ( -4.005 0.000 4.043) 5.691 33.946 ( -3.649 0.000 10.910) 11.504 33.999 ( 0.190 0.000 -7.796) 7.798 34.346 ( -1.946 0.000 8.016) 8.249 34.489 ( 2.768 0.000 -0.065) 2.769 34.617 ( 1.261 0.000 2.318) 2.639 35.117 ( -18.746 0.000 -2.145) 18.868 35.118 ( -0.108 0.000 -3.344) 3.346 ======================= Grid point 36 (14/66) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 9.544 0.000 26.021) 27.716 0.946 ( 12.459 0.000 26.548) 29.326 1.414 ( 15.845 0.000 4.396) 16.444 1.494 ( 25.987 0.000 28.392) 38.490 1.898 ( -5.509 0.000 2.101) 5.896 1.926 ( -9.189 0.000 -0.596) 9.209 2.178 ( -1.817 0.000 -0.115) 1.820 2.226 ( 1.287 0.000 1.200) 1.760 2.301 ( 5.552 0.000 -0.560) 5.581 2.429 ( -6.211 0.000 -7.401) 9.662 2.545 ( -12.176 0.000 -4.934) 13.138 2.601 ( 0.106 0.000 3.483) 3.485 2.682 ( -1.110 0.000 -0.853) 1.400 2.704 ( 2.266 0.000 -3.910) 4.519 2.836 ( 4.702 0.000 -4.707) 6.653 2.855 ( 1.188 0.000 -3.107) 3.326 2.996 ( -0.725 0.000 3.719) 3.789 3.011 ( -2.965 0.000 4.200) 5.141 3.088 ( -1.812 0.000 3.207) 3.683 3.101 ( -3.021 0.000 -3.163) 4.374 3.256 ( -5.237 0.000 -3.793) 6.466 3.273 ( -1.347 0.000 2.084) 2.482 3.291 ( -1.928 0.000 -1.636) 2.528 3.406 ( 5.882 0.000 2.518) 6.399 3.560 ( -0.155 0.000 -1.042) 1.054 3.643 ( 1.920 0.000 -3.825) 4.280 3.676 ( -3.305 0.000 -0.359) 3.325 3.795 ( -3.122 0.000 1.025) 3.286 3.864 ( 8.885 0.000 -4.410) 9.919 3.879 ( 2.095 0.000 -2.613) 3.349 3.986 ( 6.583 0.000 1.727) 6.805 4.005 ( -2.971 0.000 -0.198) 2.977 4.082 ( 4.382 0.000 -6.828) 8.114 4.210 ( -3.131 0.000 -0.252) 3.141 4.225 ( 1.809 0.000 0.685) 1.935 4.295 ( 3.228 0.000 -3.162) 4.519 4.312 ( -12.335 0.000 8.609) 15.042 4.341 ( -1.265 0.000 5.436) 5.581 4.353 ( 0.043 0.000 1.576) 1.577 4.449 ( 0.439 0.000 2.719) 2.754 4.487 ( 10.199 0.000 -2.059) 10.405 4.521 ( -7.679 0.000 -3.005) 8.245 4.571 ( -3.013 0.000 -3.373) 4.523 4.654 ( -1.783 0.000 0.414) 1.831 4.726 ( 2.046 0.000 4.450) 4.897 4.752 ( -4.317 0.000 1.312) 4.512 4.957 ( -3.100 0.000 -2.305) 3.863 4.991 ( 2.114 0.000 2.190) 3.044 5.031 ( 6.845 0.000 -1.295) 6.966 5.093 ( -0.364 0.000 5.127) 5.140 5.178 ( 1.641 0.000 -3.295) 3.681 5.330 ( -4.210 0.000 0.300) 4.221 5.357 ( -2.414 0.000 -1.571) 2.880 5.369 ( 1.020 0.000 0.757) 1.271 5.455 ( 1.844 0.000 3.371) 3.842 5.559 ( -2.850 0.000 -3.189) 4.277 5.630 ( 3.671 0.000 -0.190) 3.676 5.696 ( -0.112 0.000 -0.672) 0.681 5.723 ( 0.237 0.000 4.601) 4.607 5.810 ( -1.469 0.000 -4.807) 5.026 5.914 ( -1.585 0.000 -2.836) 3.248 5.953 ( 4.754 0.000 -2.326) 5.292 5.959 ( 0.430 0.000 -2.324) 2.363 6.052 ( -0.166 0.000 3.125) 3.130 6.074 ( -1.317 0.000 -2.863) 3.152 6.224 ( -4.133 0.000 3.081) 5.155 6.319 ( -0.405 0.000 -4.313) 4.332 6.328 ( 1.256 0.000 0.283) 1.287 6.389 ( -4.063 0.000 -3.432) 5.319 6.450 ( -1.353 0.000 2.737) 3.053 6.482 ( -3.862 0.000 2.251) 4.470 6.580 ( -4.872 0.000 -0.998) 4.973 6.620 ( -0.586 0.000 0.808) 0.998 6.801 ( -4.646 0.000 1.271) 4.817 6.815 ( -0.154 0.000 4.322) 4.325 6.979 ( 7.815 0.000 -5.166) 9.368 7.222 ( -0.240 0.000 2.628) 2.639 7.398 ( -3.741 0.000 0.900) 3.848 7.495 ( -3.012 0.000 -1.680) 3.448 7.576 ( 1.727 0.000 1.485) 2.278 7.577 ( 7.062 0.000 0.046) 7.062 7.797 ( 2.560 0.000 1.624) 3.032 7.799 ( -0.580 0.000 -0.627) 0.854 8.127 ( 8.464 0.000 -9.873) 13.004 8.398 ( -1.262 0.000 3.312) 3.544 9.042 ( -2.788 0.000 6.634) 7.196 9.674 ( -1.853 0.000 4.189) 4.580 9.933 ( -2.901 0.000 -2.533) 3.851 10.221 ( 1.245 0.000 -2.343) 2.653 10.568 ( 8.496 0.000 -14.817) 17.080 12.764 ( -2.061 0.000 -0.409) 2.101 12.874 ( 0.607 0.000 -0.987) 1.159 12.912 ( -0.672 0.000 1.898) 2.013 12.949 ( -0.156 0.000 -0.495) 0.519 12.956 ( 0.384 0.000 1.488) 1.537 13.034 ( -0.582 0.000 0.140) 0.598 13.109 ( -1.116 0.000 -0.659) 1.296 13.137 ( 2.353 0.000 0.425) 2.391 13.542 ( -1.146 0.000 1.085) 1.578 13.639 ( -1.728 0.000 -0.187) 1.738 13.670 ( 0.137 0.000 -0.348) 0.374 13.713 ( -0.460 0.000 0.975) 1.078 13.754 ( 0.679 0.000 0.067) 0.682 13.797 ( 0.821 0.000 -0.405) 0.915 13.802 ( 0.843 0.000 0.381) 0.925 13.924 ( -1.380 0.000 -1.694) 2.185 17.179 ( -0.946 0.000 1.250) 1.567 17.320 ( -3.935 0.000 1.676) 4.277 17.350 ( -0.087 0.000 -0.282) 0.295 17.470 ( 0.085 0.000 0.049) 0.098 17.699 ( 0.348 0.000 0.398) 0.529 17.744 ( 0.811 0.000 -0.288) 0.861 17.765 ( -0.273 0.000 0.025) 0.274 17.798 ( -0.743 0.000 -1.624) 1.786 17.810 ( -1.655 0.000 -0.256) 1.675 17.882 ( -1.024 0.000 -0.913) 1.372 17.919 ( -0.487 0.000 -0.424) 0.646 18.019 ( 2.493 0.000 -1.470) 2.895 18.050 ( -1.835 0.000 0.314) 1.862 18.056 ( 0.374 0.000 0.434) 0.573 18.186 ( -5.702 0.000 1.809) 5.982 18.244 ( 1.458 0.000 0.864) 1.695 18.333 ( 2.245 0.000 -0.039) 2.246 18.358 ( -0.273 0.000 1.354) 1.381 18.430 ( 2.175 0.000 2.847) 3.583 18.492 ( 0.816 0.000 0.232) 0.848 18.533 ( -1.573 0.000 -0.850) 1.788 18.586 ( -1.294 0.000 1.604) 2.061 18.651 ( 2.374 0.000 -0.824) 2.512 18.731 ( 1.652 0.000 -0.218) 1.666 28.540 ( -0.612 0.000 0.171) 0.635 28.569 ( 0.194 0.000 -0.353) 0.403 28.569 ( 0.324 0.000 0.085) 0.335 28.617 ( 1.596 0.000 -0.274) 1.619 28.858 ( -0.281 0.000 0.360) 0.457 28.931 ( -0.378 0.000 -0.041) 0.380 28.945 ( -0.175 0.000 -0.052) 0.183 28.959 ( 0.633 0.000 -0.474) 0.790 30.874 ( 0.805 0.000 3.667) 3.754 30.994 ( 2.592 0.000 0.812) 2.717 31.415 ( -1.823 0.000 0.034) 1.824 31.550 ( 5.242 0.000 -3.416) 6.257 31.632 ( 1.533 0.000 -1.838) 2.393 31.642 ( 18.631 0.000 -10.430) 21.352 31.869 ( 9.398 0.000 1.803) 9.570 32.251 ( 2.977 0.000 -0.429) 3.008 32.447 ( 0.928 0.000 0.616) 1.114 32.642 ( -8.231 0.000 -1.438) 8.355 32.704 ( 1.434 0.000 -2.519) 2.899 32.975 ( -4.791 0.000 -6.392) 7.988 33.124 ( 2.269 0.000 -1.980) 3.012 33.253 ( 1.586 0.000 -3.799) 4.117 33.383 ( -1.943 0.000 2.157) 2.903 33.509 ( -8.361 0.000 3.862) 9.210 33.585 ( 9.078 0.000 1.920) 9.279 33.933 ( -0.148 0.000 -9.177) 9.178 33.943 ( -5.763 0.000 10.999) 12.418 34.374 ( -1.454 0.000 8.598) 8.720 34.528 ( 0.629 0.000 2.347) 2.430 34.660 ( 1.009 0.000 2.977) 3.144 34.803 ( -15.042 0.000 6.586) 16.421 35.029 ( -6.454 0.000 -4.718) 7.995 ======================= Grid point 37 (15/66) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 11.448 0.000 22.300) 25.067 1.366 ( 14.323 0.000 20.138) 24.712 1.664 ( -18.870 0.000 -1.571) 18.936 1.675 ( 2.236 0.000 -3.665) 4.293 1.778 ( -6.120 0.000 -0.695) 6.159 1.920 ( 4.704 0.000 4.678) 6.634 2.106 ( -1.886 0.000 -1.151) 2.209 2.259 ( 6.398 0.000 2.972) 7.054 2.330 ( -3.380 0.000 -6.943) 7.723 2.352 ( 1.584 0.000 2.663) 3.098 2.440 ( 1.680 0.000 5.429) 5.683 2.652 ( 0.335 0.000 -4.329) 4.342 2.655 ( -2.804 0.000 2.254) 3.598 2.750 ( 10.771 0.000 2.604) 11.081 2.915 ( 7.036 0.000 -3.685) 7.943 2.923 ( 5.145 0.000 3.294) 6.110 2.949 ( -2.033 0.000 -0.672) 2.141 2.998 ( -1.981 0.000 4.389) 4.816 3.043 ( -7.600 0.000 -6.885) 10.255 3.098 ( 0.445 0.000 -1.358) 1.429 3.231 ( 8.317 0.000 3.755) 9.125 3.274 ( -1.433 0.000 4.465) 4.690 3.289 ( 2.038 0.000 4.530) 4.967 3.415 ( -4.153 0.000 -3.386) 5.358 3.587 ( -4.222 0.000 -4.235) 5.980 3.649 ( 0.073 0.000 -0.108) 0.130 3.689 ( 10.973 0.000 7.442) 13.258 3.764 ( 0.209 0.000 -3.281) 3.287 3.854 ( -8.140 0.000 -4.766) 9.432 3.906 ( 0.728 0.000 -0.841) 1.112 3.990 ( 4.207 0.000 -3.110) 5.231 3.996 ( -10.582 0.000 -1.480) 10.685 4.117 ( -1.965 0.000 -0.044) 1.965 4.129 ( -6.614 0.000 0.891) 6.673 4.144 ( -0.486 0.000 -4.069) 4.098 4.240 ( -5.530 0.000 -0.205) 5.534 4.249 ( 1.636 0.000 -2.813) 3.254 4.262 ( -1.180 0.000 -4.219) 4.381 4.329 ( -2.897 0.000 3.193) 4.311 4.427 ( -3.915 0.000 -3.605) 5.322 4.446 ( -3.115 0.000 7.153) 7.801 4.481 ( -4.541 0.000 -5.405) 7.059 4.551 ( 3.097 0.000 2.968) 4.290 4.672 ( -4.886 0.000 3.698) 6.127 4.749 ( 6.944 0.000 -0.525) 6.963 4.821 ( 4.126 0.000 2.241) 4.695 5.029 ( 1.785 0.000 -4.119) 4.489 5.055 ( 10.821 0.000 -1.459) 10.919 5.141 ( 4.312 0.000 1.711) 4.639 5.155 ( 4.654 0.000 4.396) 6.402 5.189 ( -1.441 0.000 3.446) 3.735 5.285 ( -2.689 0.000 0.466) 2.729 5.285 ( -1.887 0.000 0.918) 2.098 5.370 ( -0.422 0.000 -0.143) 0.445 5.516 ( 0.355 0.000 4.002) 4.018 5.529 ( 0.866 0.000 -1.004) 1.325 5.641 ( -0.710 0.000 -3.167) 3.246 5.676 ( -1.274 0.000 -5.426) 5.573 5.732 ( -0.933 0.000 4.291) 4.391 5.783 ( 1.437 0.000 -3.809) 4.071 5.858 ( -1.964 0.000 1.882) 2.721 5.998 ( 1.200 0.000 0.450) 1.281 6.007 ( 2.830 0.000 0.818) 2.946 6.028 ( -3.511 0.000 -1.514) 3.823 6.045 ( -0.733 0.000 0.716) 1.025 6.199 ( -0.012 0.000 0.819) 0.819 6.263 ( 0.525 0.000 -6.908) 6.928 6.332 ( -1.420 0.000 -0.085) 1.423 6.347 ( 0.869 0.000 -0.065) 0.871 6.426 ( -2.831 0.000 1.142) 3.053 6.464 ( -1.934 0.000 5.071) 5.427 6.509 ( -3.037 0.000 0.006) 3.037 6.599 ( -1.793 0.000 0.236) 1.809 6.752 ( -2.364 0.000 1.078) 2.599 6.824 ( -1.731 0.000 2.471) 3.017 7.055 ( 6.355 0.000 -7.861) 10.109 7.236 ( -0.020 0.000 1.141) 1.141 7.346 ( -2.720 0.000 0.425) 2.754 7.454 ( -0.530 0.000 -0.461) 0.702 7.613 ( 0.737 0.000 2.056) 2.184 7.682 ( 5.008 0.000 0.269) 5.015 7.770 ( -2.060 0.000 -1.182) 2.375 7.845 ( 1.576 0.000 1.021) 1.878 8.161 ( 4.744 0.000 -11.423) 12.369 8.404 ( -1.170 0.000 3.588) 3.774 9.082 ( 0.309 0.000 6.773) 6.780 9.652 ( -3.173 0.000 2.098) 3.804 9.884 ( -1.023 0.000 -0.509) 1.143 10.231 ( 1.711 0.000 -1.789) 2.476 10.547 ( 3.602 0.000 -12.831) 13.327 12.731 ( -1.281 0.000 -0.069) 1.283 12.875 ( -0.173 0.000 0.229) 0.287 12.912 ( -0.541 0.000 1.052) 1.184 12.940 ( -0.170 0.000 -0.536) 0.562 12.976 ( 0.563 0.000 0.926) 1.083 13.033 ( 0.019 0.000 0.067) 0.069 13.086 ( -0.769 0.000 -0.612) 0.983 13.169 ( 1.155 0.000 0.059) 1.157 13.534 ( -0.643 0.000 1.002) 1.191 13.612 ( -1.479 0.000 0.747) 1.657 13.679 ( 0.887 0.000 0.201) 0.910 13.715 ( -0.253 0.000 1.018) 1.049 13.750 ( -0.902 0.000 -0.320) 0.957 13.811 ( 0.073 0.000 -0.112) 0.133 13.822 ( 2.297 0.000 -0.397) 2.331 13.880 ( -1.996 0.000 -1.865) 2.731 17.176 ( -0.534 0.000 1.416) 1.514 17.275 ( -2.583 0.000 1.059) 2.791 17.347 ( -0.005 0.000 -0.171) 0.171 17.467 ( -0.425 0.000 -0.066) 0.431 17.709 ( 0.312 0.000 0.461) 0.557 17.754 ( 0.805 0.000 -1.128) 1.386 17.759 ( -0.330 0.000 -0.164) 0.369 17.786 ( 0.367 0.000 -0.533) 0.647 17.787 ( -0.637 0.000 -0.009) 0.637 17.867 ( -0.127 0.000 -0.558) 0.572 17.887 ( -1.721 0.000 -1.169) 2.080 18.002 ( -3.142 0.000 2.210) 3.841 18.048 ( -0.100 0.000 1.934) 1.937 18.063 ( -0.017 0.000 0.656) 0.656 18.147 ( -0.711 0.000 1.203) 1.397 18.268 ( 0.703 0.000 0.043) 0.705 18.341 ( -0.108 0.000 -0.110) 0.154 18.401 ( 3.125 0.000 -0.475) 3.160 18.482 ( -0.840 0.000 -0.714) 1.102 18.484 ( 1.322 0.000 2.051) 2.440 18.527 ( 0.181 0.000 -0.268) 0.323 18.576 ( -0.836 0.000 0.285) 0.883 18.681 ( 1.812 0.000 -0.488) 1.877 18.758 ( 1.282 0.000 0.023) 1.282 28.530 ( -0.559 0.000 0.061) 0.562 28.569 ( 0.120 0.000 -0.390) 0.408 28.574 ( 0.171 0.000 0.070) 0.185 28.635 ( 0.857 0.000 -0.517) 1.001 28.858 ( -0.137 0.000 0.473) 0.493 28.925 ( -0.342 0.000 -0.008) 0.342 28.941 ( -0.172 0.000 -0.019) 0.173 28.967 ( 0.611 0.000 -0.463) 0.767 30.901 ( -0.805 0.000 3.133) 3.235 31.043 ( 1.981 0.000 0.206) 1.992 31.385 ( -0.644 0.000 -1.226) 1.385 31.631 ( 5.830 0.000 -2.137) 6.209 31.642 ( 0.777 0.000 -1.004) 1.270 31.778 ( 8.766 0.000 -10.119) 13.388 32.030 ( 6.132 0.000 1.518) 6.317 32.307 ( 3.636 0.000 -1.073) 3.791 32.448 ( -4.083 0.000 2.600) 4.841 32.551 ( 1.766 0.000 -3.231) 3.682 32.712 ( 1.692 0.000 -2.359) 2.903 32.885 ( -1.661 0.000 -2.688) 3.160 33.127 ( -2.273 0.000 1.512) 2.730 33.262 ( 2.307 0.000 -2.565) 3.450 33.317 ( -5.005 0.000 0.603) 5.041 33.459 ( -2.239 0.000 5.731) 6.153 33.699 ( 2.510 0.000 -1.291) 2.823 33.887 ( 3.299 0.000 -7.133) 7.859 33.923 ( -4.862 0.000 8.303) 9.622 34.432 ( -0.050 0.000 9.172) 9.172 34.536 ( -2.553 0.000 3.195) 4.090 34.683 ( -4.053 0.000 3.487) 5.347 34.689 ( 0.948 0.000 1.217) 1.543 34.854 ( -8.597 0.000 -5.460) 10.184 ======================= Grid point 38 (16/66) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -25.316 0.000 -7.554) 26.419 1.253 ( -26.262 0.000 4.051) 26.572 1.622 ( 13.033 0.000 10.874) 16.974 1.690 ( -4.722 0.000 -2.995) 5.592 1.849 ( 15.239 0.000 14.514) 21.044 1.918 ( -5.280 0.000 0.546) 5.309 2.235 ( 5.150 0.000 -1.155) 5.278 2.248 ( -1.675 0.000 -2.576) 3.072 2.290 ( 0.200 0.000 2.493) 2.501 2.388 ( -8.564 0.000 -1.790) 8.749 2.503 ( 3.137 0.000 2.410) 3.956 2.661 ( 8.190 0.000 -4.635) 9.411 2.675 ( 1.998 0.000 10.148) 10.343 2.779 ( -3.385 0.000 -4.017) 5.253 2.850 ( -4.906 0.000 -8.107) 9.476 2.931 ( -6.431 0.000 8.342) 10.533 2.954 ( -4.698 0.000 -1.377) 4.896 3.013 ( 4.896 0.000 0.943) 4.986 3.076 ( -0.435 0.000 4.309) 4.331 3.102 ( 6.206 0.000 -5.561) 8.333 3.273 ( -1.792 0.000 -5.799) 6.069 3.307 ( -0.859 0.000 5.694) 5.758 3.405 ( 1.319 0.000 -1.015) 1.664 3.447 ( 4.544 0.000 7.659) 8.906 3.521 ( -0.279 0.000 3.755) 3.765 3.653 ( 0.134 0.000 0.805) 0.816 3.676 ( -2.677 0.000 4.078) 4.878 3.679 ( -9.924 0.000 -4.455) 10.878 3.810 ( -1.200 0.000 -0.512) 1.305 3.838 ( 3.935 0.000 -6.208) 7.350 3.968 ( 4.263 0.000 -4.338) 6.082 4.024 ( 8.797 0.000 5.136) 10.187 4.099 ( -0.720 0.000 -1.222) 1.418 4.121 ( 2.547 0.000 -0.975) 2.727 4.127 ( -0.035 0.000 -1.588) 1.588 4.163 ( -4.839 0.000 -2.066) 5.262 4.185 ( -0.716 0.000 -5.959) 6.002 4.269 ( -0.644 0.000 -1.402) 1.543 4.304 ( -4.243 0.000 -2.036) 4.706 4.377 ( 4.269 0.000 1.534) 4.537 4.434 ( 2.771 0.000 -0.254) 2.783 4.510 ( 1.284 0.000 4.237) 4.427 4.544 ( -3.220 0.000 3.722) 4.921 4.702 ( 2.313 0.000 6.962) 7.336 4.738 ( -3.860 0.000 -1.195) 4.041 4.864 ( -0.407 0.000 -4.013) 4.033 4.977 ( -3.197 0.000 -7.536) 8.186 5.143 ( -0.817 0.000 -3.600) 3.692 5.148 ( 0.498 0.000 -1.085) 1.194 5.210 ( 1.263 0.000 3.593) 3.809 5.298 ( 1.923 0.000 6.299) 6.586 5.312 ( 1.971 0.000 3.563) 4.071 5.320 ( 2.297 0.000 9.246) 9.527 5.366 ( 0.107 0.000 -0.216) 0.241 5.502 ( -1.135 0.000 0.629) 1.297 5.531 ( -0.142 0.000 -1.691) 1.697 5.601 ( -1.112 0.000 -5.107) 5.227 5.616 ( 1.037 0.000 -5.599) 5.694 5.736 ( -3.613 0.000 4.499) 5.770 5.770 ( 0.178 0.000 -3.058) 3.064 5.874 ( 2.839 0.000 1.912) 3.423 5.949 ( -3.387 0.000 -2.802) 4.396 6.036 ( 2.636 0.000 3.657) 4.508 6.054 ( 0.452 0.000 1.500) 1.567 6.080 ( 3.415 0.000 5.045) 6.092 6.215 ( 0.341 0.000 0.408) 0.532 6.233 ( 0.228 0.000 -6.401) 6.405 6.311 ( 0.692 0.000 -0.603) 0.918 6.375 ( 1.564 0.000 -1.127) 1.927 6.393 ( -1.504 0.000 1.887) 2.414 6.470 ( -1.618 0.000 0.352) 1.656 6.475 ( -1.285 0.000 4.600) 4.776 6.583 ( -0.009 0.000 0.569) 0.570 6.731 ( -0.451 0.000 -0.817) 0.934 6.798 ( -2.478 0.000 0.631) 2.557 7.083 ( 4.130 0.000 -7.602) 8.652 7.225 ( -1.674 0.000 -0.382) 1.718 7.322 ( -0.121 0.000 -0.056) 0.133 7.470 ( 1.674 0.000 1.695) 2.383 7.627 ( -0.849 0.000 1.742) 1.938 7.695 ( -3.225 0.000 -2.755) 4.242 7.763 ( 2.500 0.000 0.516) 2.553 7.854 ( -1.322 0.000 0.220) 1.340 8.115 ( 0.654 0.000 -12.851) 12.868 8.409 ( -1.543 0.000 3.855) 4.153 9.145 ( 1.021 0.000 8.270) 8.333 9.613 ( -1.890 0.000 0.122) 1.894 9.894 ( 1.497 0.000 0.928) 1.761 10.247 ( 1.184 0.000 -0.995) 1.547 10.540 ( 6.430 0.000 -11.850) 13.482 12.726 ( 0.491 0.000 0.604) 0.778 12.874 ( -0.405 0.000 0.995) 1.075 12.907 ( -0.345 0.000 -0.424) 0.547 12.941 ( 0.606 0.000 -0.145) 0.623 12.981 ( -0.554 0.000 0.257) 0.611 13.028 ( -0.438 0.000 -0.466) 0.639 13.083 ( 0.638 0.000 0.232) 0.679 13.175 ( -0.378 0.000 -0.424) 0.568 13.537 ( 0.054 0.000 1.098) 1.099 13.607 ( -0.021 0.000 1.528) 1.528 13.693 ( -0.153 0.000 0.795) 0.809 13.717 ( -0.430 0.000 1.187) 1.262 13.732 ( 0.150 0.000 -1.151) 1.160 13.805 ( -0.321 0.000 -0.732) 0.800 13.833 ( -1.825 0.000 -1.725) 2.511 13.864 ( 2.852 0.000 -0.342) 2.872 17.182 ( -0.264 0.000 1.760) 1.779 17.244 ( -1.689 0.000 0.338) 1.722 17.347 ( 0.094 0.000 -0.134) 0.164 17.461 ( -0.018 0.000 -0.260) 0.260 17.710 ( -0.493 0.000 0.091) 0.501 17.754 ( 0.079 0.000 0.003) 0.079 17.759 ( 0.715 0.000 -1.185) 1.384 17.789 ( 0.289 0.000 -0.468) 0.550 17.793 ( 0.759 0.000 0.873) 1.156 17.861 ( 0.046 0.000 -1.370) 1.370 17.869 ( 0.589 0.000 -0.024) 0.590 17.977 ( -1.853 0.000 1.780) 2.569 18.059 ( -0.712 0.000 3.300) 3.376 18.065 ( -0.265 0.000 0.600) 0.656 18.166 ( 1.272 0.000 2.312) 2.639 18.265 ( -0.712 0.000 -0.822) 1.087 18.343 ( 0.075 0.000 0.760) 0.764 18.427 ( 0.118 0.000 -0.783) 0.792 18.472 ( 0.409 0.000 -0.731) 0.837 18.491 ( -0.881 0.000 -0.310) 0.934 18.517 ( -0.596 0.000 -1.187) 1.328 18.571 ( -0.274 0.000 1.389) 1.416 18.700 ( 0.454 0.000 -0.144) 0.477 18.769 ( -0.112 0.000 0.071) 0.133 28.524 ( -0.127 0.000 -0.070) 0.145 28.568 ( 0.140 0.000 -0.466) 0.487 28.576 ( -0.045 0.000 0.071) 0.084 28.638 ( 0.122 0.000 -0.768) 0.777 28.860 ( -0.091 0.000 0.630) 0.636 28.921 ( -0.081 0.000 -0.099) 0.128 28.940 ( 0.024 0.000 0.010) 0.027 28.971 ( 0.188 0.000 -0.415) 0.456 30.893 ( -2.178 0.000 1.915) 2.900 31.051 ( -0.609 0.000 -0.815) 1.018 31.377 ( 0.471 0.000 -1.050) 1.151 31.646 ( 0.428 0.000 -0.701) 0.821 31.684 ( 0.969 0.000 -0.124) 0.977 31.803 ( 3.852 0.000 -12.456) 13.038 32.085 ( 0.816 0.000 -4.224) 4.302 32.342 ( 1.072 0.000 -0.737) 1.301 32.403 ( -2.598 0.000 6.225) 6.745 32.617 ( 5.967 0.000 0.187) 5.970 32.721 ( 0.971 0.000 -2.153) 2.362 32.884 ( 2.931 0.000 -0.251) 2.941 33.077 ( -5.453 0.000 5.942) 8.065 33.269 ( -0.719 0.000 -2.702) 2.796 33.286 ( 1.691 0.000 -1.158) 2.049 33.479 ( -1.277 0.000 6.895) 7.012 33.659 ( -1.784 0.000 -7.310) 7.525 33.907 ( -3.375 0.000 6.835) 7.623 33.940 ( 5.258 0.000 -1.664) 5.515 34.437 ( -7.510 0.000 5.712) 9.436 34.491 ( -3.180 0.000 -0.381) 3.203 34.697 ( -4.063 0.000 -1.569) 4.355 34.698 ( 0.897 0.000 5.958) 6.025 34.766 ( 7.818 0.000 -1.796) 8.022 ======================= Grid point 39 (17/66) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -25.541 0.000 -0.500) 25.546 0.855 ( -25.299 0.000 12.552) 28.242 1.566 ( -7.985 0.000 -2.402) 8.339 1.605 ( -32.506 0.000 -3.698) 32.716 1.857 ( 6.224 0.000 1.914) 6.511 2.077 ( -4.305 0.000 8.288) 9.339 2.113 ( -7.165 0.000 -3.386) 7.925 2.225 ( -5.610 0.000 4.685) 7.309 2.277 ( 1.236 0.000 -1.666) 2.075 2.341 ( 10.508 0.000 2.261) 10.748 2.596 ( 4.155 0.000 1.008) 4.275 2.623 ( -5.816 0.000 -9.341) 11.004 2.780 ( -2.050 0.000 4.787) 5.208 2.823 ( 2.092 0.000 -3.439) 4.026 2.842 ( -1.329 0.000 3.308) 3.565 2.866 ( 1.797 0.000 3.789) 4.193 2.898 ( 8.005 0.000 -0.904) 8.056 3.063 ( 0.259 0.000 6.929) 6.933 3.095 ( 4.130 0.000 2.740) 4.957 3.201 ( 5.637 0.000 0.066) 5.637 3.246 ( -2.387 0.000 -1.500) 2.819 3.291 ( -2.668 0.000 1.985) 3.325 3.374 ( -0.386 0.000 -0.255) 0.463 3.415 ( -6.200 0.000 5.313) 8.165 3.459 ( -5.682 0.000 -4.844) 7.467 3.610 ( 3.764 0.000 3.078) 4.862 3.721 ( 4.249 0.000 0.668) 4.301 3.775 ( 5.716 0.000 -1.530) 5.917 3.854 ( -0.549 0.000 -0.385) 0.670 3.892 ( 8.004 0.000 -0.131) 8.005 3.981 ( -4.256 0.000 -6.100) 7.438 4.020 ( 1.254 0.000 -1.770) 2.170 4.028 ( -2.908 0.000 -6.109) 6.766 4.062 ( -2.896 0.000 -3.857) 4.824 4.111 ( -0.366 0.000 -0.784) 0.865 4.178 ( -9.034 0.000 -4.769) 10.215 4.193 ( 4.361 0.000 -2.726) 5.143 4.269 ( 0.702 0.000 2.031) 2.149 4.339 ( 10.855 0.000 5.645) 12.235 4.426 ( -5.715 0.000 -0.419) 5.731 4.445 ( 1.319 0.000 -4.554) 4.741 4.518 ( 7.359 0.000 4.738) 8.752 4.650 ( 3.980 0.000 4.582) 6.069 4.692 ( -1.429 0.000 0.722) 1.601 4.781 ( -4.472 0.000 -2.693) 5.221 4.816 ( 3.506 0.000 5.670) 6.666 4.901 ( -0.022 0.000 -0.870) 0.871 5.031 ( -5.140 0.000 0.240) 5.146 5.133 ( -4.062 0.000 2.681) 4.867 5.217 ( -1.702 0.000 1.337) 2.164 5.325 ( -5.964 0.000 0.746) 6.011 5.341 ( -1.754 0.000 0.087) 1.756 5.364 ( 2.540 0.000 2.783) 3.768 5.385 ( 1.227 0.000 1.357) 1.830 5.482 ( -3.182 0.000 -1.194) 3.398 5.553 ( 3.139 0.000 0.777) 3.234 5.577 ( 3.861 0.000 -5.221) 6.494 5.623 ( 1.878 0.000 -1.808) 2.607 5.720 ( -0.851 0.000 2.170) 2.331 5.773 ( 1.946 0.000 1.406) 2.401 5.885 ( -0.252 0.000 -3.710) 3.719 5.943 ( 2.545 0.000 1.215) 2.820 6.070 ( 0.120 0.000 1.627) 1.632 6.102 ( -1.412 0.000 5.389) 5.570 6.177 ( -0.327 0.000 -5.769) 5.778 6.187 ( 3.688 0.000 5.018) 6.227 6.225 ( 0.950 0.000 3.948) 4.060 6.337 ( 2.700 0.000 -2.415) 3.623 6.377 ( 0.692 0.000 -2.294) 2.396 6.395 ( -0.221 0.000 0.337) 0.403 6.470 ( 0.603 0.000 2.061) 2.148 6.493 ( 0.007 0.000 3.820) 3.820 6.606 ( 1.392 0.000 1.128) 1.791 6.724 ( 2.542 0.000 -4.598) 5.254 6.755 ( -2.767 0.000 0.318) 2.786 7.083 ( 0.762 0.000 -5.273) 5.328 7.187 ( -1.663 0.000 -0.417) 1.715 7.350 ( 3.513 0.000 0.653) 3.573 7.519 ( 1.417 0.000 2.377) 2.767 7.609 ( -3.637 0.000 -3.031) 4.735 7.614 ( -1.399 0.000 1.573) 2.105 7.795 ( 0.982 0.000 -0.405) 1.062 7.808 ( -3.545 0.000 -0.495) 3.579 8.007 ( -2.359 0.000 -11.404) 11.646 8.408 ( -1.818 0.000 3.721) 4.141 9.265 ( 4.658 0.000 13.762) 14.529 9.599 ( 0.117 0.000 0.160) 0.199 9.924 ( 2.024 0.000 -2.575) 3.275 10.253 ( 0.130 0.000 -0.737) 0.749 10.552 ( 5.211 0.000 -17.387) 18.151 12.753 ( 1.712 0.000 1.036) 2.001 12.874 ( -0.258 0.000 0.628) 0.679 12.896 ( -0.114 0.000 -1.322) 1.327 12.957 ( 0.887 0.000 0.309) 0.939 12.967 ( -1.133 0.000 0.390) 1.198 13.015 ( -0.236 0.000 -0.859) 0.891 13.104 ( 1.134 0.000 0.559) 1.264 13.152 ( -1.709 0.000 -0.773) 1.875 13.546 ( -0.088 0.000 1.120) 1.123 13.635 ( 1.717 0.000 1.898) 2.559 13.684 ( -0.731 0.000 0.009) 0.731 13.715 ( -0.885 0.000 1.116) 1.424 13.743 ( 1.160 0.000 -0.387) 1.223 13.794 ( -0.069 0.000 -1.132) 1.134 13.794 ( -1.213 0.000 -1.635) 2.036 13.910 ( 2.631 0.000 -0.398) 2.660 17.191 ( -0.407 0.000 1.935) 1.977 17.223 ( -1.081 0.000 0.854) 1.378 17.349 ( 0.238 0.000 -0.163) 0.288 17.461 ( 0.302 0.000 -0.508) 0.591 17.698 ( -0.612 0.000 -0.140) 0.628 17.750 ( -0.603 0.000 -1.226) 1.366 17.761 ( 0.360 0.000 0.409) 0.545 17.807 ( 2.036 0.000 0.188) 2.045 17.815 ( 0.800 0.000 0.986) 1.270 17.859 ( 0.885 0.000 -2.485) 2.638 17.889 ( 1.346 0.000 0.945) 1.645 17.952 ( -2.015 0.000 -0.527) 2.083 18.061 ( -0.568 0.000 -0.002) 0.568 18.068 ( -1.042 0.000 2.494) 2.703 18.222 ( 2.553 0.000 3.031) 3.962 18.237 ( -1.470 0.000 -0.885) 1.716 18.351 ( -0.952 0.000 2.867) 3.021 18.395 ( -2.257 0.000 -0.574) 2.328 18.478 ( 0.108 0.000 -0.879) 0.885 18.481 ( 0.476 0.000 -0.947) 1.059 18.503 ( 1.176 0.000 -1.194) 1.675 18.586 ( -0.308 0.000 4.811) 4.821 18.689 ( -1.419 0.000 -0.765) 1.612 18.757 ( -1.225 0.000 0.043) 1.226 28.525 ( 0.402 0.000 -0.091) 0.412 28.567 ( 0.234 0.000 -0.509) 0.560 28.574 ( -0.239 0.000 0.082) 0.253 28.631 ( -0.145 0.000 -0.778) 0.791 28.863 ( -0.176 0.000 0.680) 0.703 28.921 ( 0.241 0.000 -0.252) 0.349 28.942 ( 0.202 0.000 0.001) 0.202 28.967 ( -0.344 0.000 -0.352) 0.492 30.860 ( -2.695 0.000 0.957) 2.860 31.019 ( -2.244 0.000 -0.567) 2.315 31.380 ( 0.857 0.000 -0.795) 1.169 31.646 ( 0.137 0.000 -0.785) 0.797 31.657 ( -3.431 0.000 -0.912) 3.550 31.750 ( 0.018 0.000 -8.734) 8.734 31.964 ( -5.131 0.000 -19.745) 20.401 32.330 ( -2.474 0.000 0.533) 2.531 32.438 ( -0.048 0.000 4.506) 4.506 32.712 ( 0.293 0.000 -2.535) 2.552 32.768 ( 7.968 0.000 10.576) 13.241 32.976 ( 7.425 0.000 0.201) 7.428 33.062 ( -2.186 0.000 7.706) 8.010 33.215 ( -1.902 0.000 -6.781) 7.043 33.299 ( 0.420 0.000 0.201) 0.465 33.514 ( -1.560 0.000 9.144) 9.276 33.548 ( -3.853 0.000 -10.503) 11.187 33.908 ( -3.063 0.000 7.858) 8.433 34.012 ( 3.485 0.000 -0.481) 3.518 34.334 ( -5.474 0.000 2.608) 6.064 34.446 ( -0.040 0.000 -3.221) 3.221 34.632 ( -2.929 0.000 -0.066) 2.929 34.797 ( 3.715 0.000 11.609) 12.188 34.934 ( 10.847 0.000 -0.910) 10.886 ======================= Grid point 40 (18/66) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -14.417 0.000 19.774) 24.472 0.654 ( -16.390 0.000 29.277) 33.553 0.921 ( -42.214 0.000 12.888) 44.137 1.372 ( -14.846 0.000 5.433) 15.809 1.914 ( 3.114 0.000 0.751) 3.203 1.986 ( -6.714 0.000 5.639) 8.768 2.054 ( -0.266 0.000 0.083) 0.279 2.181 ( -3.354 0.000 0.499) 3.391 2.255 ( -1.156 0.000 -3.453) 3.641 2.537 ( 8.618 0.000 0.548) 8.635 2.538 ( 3.650 0.000 -6.443) 7.405 2.671 ( 3.390 0.000 -0.951) 3.521 2.673 ( -5.040 0.000 -3.080) 5.907 2.727 ( -2.630 0.000 -2.562) 3.671 2.878 ( -1.252 0.000 0.743) 1.456 2.974 ( -0.575 0.000 7.881) 7.902 3.035 ( 5.045 0.000 6.487) 8.218 3.095 ( -6.536 0.000 -6.479) 9.203 3.185 ( 1.165 0.000 -5.356) 5.481 3.209 ( 1.845 0.000 -0.154) 1.851 3.249 ( 6.335 0.000 10.393) 12.172 3.279 ( 1.543 0.000 0.075) 1.544 3.326 ( -5.782 0.000 -0.449) 5.799 3.363 ( -3.121 0.000 1.769) 3.587 3.578 ( 8.472 0.000 9.586) 12.793 3.677 ( 2.873 0.000 -1.723) 3.350 3.736 ( -1.266 0.000 -4.970) 5.129 3.778 ( -0.190 0.000 -2.751) 2.758 3.863 ( -1.325 0.000 -1.847) 2.273 3.874 ( -5.404 0.000 -10.452) 11.766 3.929 ( -0.647 0.000 4.000) 4.052 3.946 ( -1.467 0.000 -6.062) 6.237 3.981 ( -1.836 0.000 -2.454) 3.065 4.028 ( 3.954 0.000 -1.263) 4.151 4.080 ( 5.415 0.000 -2.748) 6.073 4.131 ( 2.562 0.000 2.354) 3.479 4.200 ( 0.599 0.000 -3.071) 3.129 4.298 ( 0.445 0.000 -1.791) 1.845 4.374 ( -0.132 0.000 5.481) 5.482 4.425 ( 2.586 0.000 -4.444) 5.142 4.542 ( 5.259 0.000 4.917) 7.200 4.647 ( -4.522 0.000 -0.173) 4.525 4.648 ( 2.495 0.000 1.784) 3.067 4.687 ( -2.437 0.000 1.986) 3.144 4.700 ( -7.500 0.000 7.266) 10.442 4.774 ( -5.939 0.000 3.159) 6.727 4.958 ( 4.980 0.000 2.756) 5.692 5.086 ( 3.560 0.000 1.807) 3.993 5.099 ( -0.601 0.000 0.990) 1.158 5.190 ( -7.341 0.000 -2.679) 7.815 5.264 ( 5.680 0.000 -1.351) 5.838 5.288 ( -1.346 0.000 -2.759) 3.070 5.345 ( -3.692 0.000 -4.454) 5.786 5.427 ( 2.016 0.000 1.230) 2.362 5.449 ( -1.136 0.000 0.331) 1.183 5.562 ( -1.210 0.000 -3.105) 3.332 5.607 ( 2.890 0.000 -0.567) 2.945 5.630 ( -0.935 0.000 1.939) 2.152 5.720 ( -0.801 0.000 0.784) 1.121 5.823 ( 4.852 0.000 -5.098) 7.038 5.916 ( 1.170 0.000 2.591) 2.842 5.949 ( -1.709 0.000 -1.254) 2.120 6.069 ( -1.075 0.000 0.013) 1.075 6.121 ( 0.285 0.000 7.761) 7.766 6.167 ( 1.920 0.000 -1.676) 2.549 6.253 ( -2.870 0.000 2.852) 4.046 6.263 ( 3.212 0.000 -0.841) 3.320 6.336 ( 1.139 0.000 -7.170) 7.260 6.388 ( 1.377 0.000 1.437) 1.990 6.420 ( 4.397 0.000 6.191) 7.593 6.505 ( 1.179 0.000 0.942) 1.509 6.538 ( 1.853 0.000 4.016) 4.423 6.624 ( -1.013 0.000 -0.055) 1.015 6.724 ( -1.493 0.000 4.275) 4.528 6.771 ( 6.803 0.000 -4.469) 8.140 7.043 ( -0.065 0.000 -2.548) 2.549 7.182 ( 0.282 0.000 1.869) 1.890 7.423 ( 2.577 0.000 -1.051) 2.783 7.524 ( -1.374 0.000 0.614) 1.505 7.569 ( 1.489 0.000 -0.119) 1.493 7.628 ( 0.556 0.000 1.337) 1.448 7.743 ( -3.009 0.000 -0.124) 3.012 7.785 ( -1.116 0.000 -2.650) 2.876 7.880 ( -4.233 0.000 -3.896) 5.753 8.403 ( -1.894 0.000 3.611) 4.077 9.589 ( 21.254 0.000 24.064) 32.106 9.617 ( 0.957 0.000 2.126) 2.332 9.875 ( -4.664 0.000 -16.810) 17.445 10.241 ( -0.404 0.000 -1.338) 1.397 10.320 ( -15.762 0.000 -28.645) 32.695 12.788 ( 1.236 0.000 0.798) 1.471 12.873 ( 0.302 0.000 -2.039) 2.062 12.887 ( 0.073 0.000 0.284) 0.293 12.953 ( -1.112 0.000 1.201) 1.637 12.958 ( -0.735 0.000 -0.145) 0.750 13.029 ( 2.315 0.000 0.062) 2.316 13.110 ( -2.244 0.000 -0.885) 2.412 13.123 ( 0.707 0.000 0.157) 0.724 13.547 ( -0.513 0.000 0.651) 0.829 13.676 ( 0.969 0.000 0.591) 1.135 13.678 ( 0.182 0.000 -0.318) 0.366 13.708 ( -0.490 0.000 1.527) 1.604 13.745 ( -0.788 0.000 -0.178) 0.808 13.780 ( 0.906 0.000 -1.069) 1.402 13.788 ( 0.144 0.000 -0.882) 0.893 13.942 ( 1.531 0.000 -0.787) 1.721 17.193 ( -0.844 0.000 1.707) 1.905 17.248 ( 2.752 0.000 6.044) 6.641 17.352 ( 0.283 0.000 -0.246) 0.375 17.462 ( 0.271 0.000 -0.511) 0.578 17.691 ( -0.140 0.000 -0.016) 0.141 17.731 ( -0.324 0.000 -1.105) 1.152 17.768 ( 0.039 0.000 0.282) 0.284 17.820 ( -1.626 0.000 -1.763) 2.399 17.831 ( 0.322 0.000 0.609) 0.689 17.875 ( 3.994 0.000 -0.376) 4.011 17.900 ( -2.264 0.000 -1.766) 2.871 17.919 ( 0.600 0.000 1.437) 1.557 18.047 ( -0.482 0.000 -0.810) 0.942 18.058 ( -1.626 0.000 1.322) 2.096 18.213 ( -0.780 0.000 0.041) 0.781 18.274 ( 1.619 0.000 1.076) 1.944 18.348 ( -2.624 0.000 3.273) 4.195 18.368 ( -0.792 0.000 0.585) 0.985 18.465 ( -0.019 0.000 -1.170) 1.170 18.483 ( 0.013 0.000 -1.092) 1.092 18.543 ( 3.440 0.000 -0.235) 3.448 18.644 ( -2.740 0.000 -1.268) 3.020 18.666 ( 3.960 0.000 7.383) 8.378 18.734 ( -1.199 0.000 -0.351) 1.249 28.535 ( 0.674 0.000 -0.013) 0.674 28.568 ( 0.307 0.000 -0.398) 0.502 28.570 ( -0.379 0.000 0.135) 0.402 28.619 ( -0.733 0.000 -1.489) 1.660 28.864 ( -0.306 0.000 0.568) 0.645 28.925 ( 0.589 0.000 -0.264) 0.645 28.945 ( 0.183 0.000 -0.034) 0.186 28.956 ( -0.564 0.000 -0.025) 0.565 30.829 ( -1.560 0.000 1.552) 2.201 30.978 ( -2.140 0.000 0.204) 2.149 31.400 ( 1.598 0.000 0.345) 1.635 31.481 ( -20.126 0.000 -30.937) 36.908 31.595 ( -5.132 0.000 -1.728) 5.415 31.637 ( 0.020 0.000 -1.774) 1.774 31.748 ( -3.143 0.000 0.957) 3.285 32.275 ( -4.037 0.000 1.100) 4.185 32.446 ( -1.039 0.000 1.156) 1.554 32.701 ( 0.774 0.000 -2.633) 2.745 32.995 ( 6.715 0.000 2.832) 7.288 33.030 ( -5.920 0.000 -4.747) 7.588 33.118 ( 8.910 0.000 -1.877) 9.105 33.207 ( 6.677 0.000 7.567) 10.092 33.311 ( 0.322 0.000 0.894) 0.950 33.378 ( -5.557 0.000 -10.163) 11.583 33.567 ( -1.119 0.000 12.108) 12.160 33.919 ( -2.948 0.000 9.388) 9.840 34.034 ( 1.138 0.000 -4.160) 4.313 34.317 ( -1.060 0.000 5.722) 5.820 34.448 ( 2.736 0.000 -2.682) 3.832 34.600 ( -0.891 0.000 0.789) 1.190 35.045 ( 14.170 0.000 14.849) 20.526 35.079 ( 6.733 0.000 -1.874) 6.989 ======================= Grid point 41 (19/66) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -4.395 13.944 16.305) 21.900 0.780 ( 0.605 15.991 19.594) 25.298 1.218 ( -1.050 9.514 13.866) 16.849 1.389 ( 4.121 18.446 23.073) 29.826 1.791 ( 0.949 -8.654 6.082) 10.620 1.960 ( 1.678 -11.809 5.506) 13.137 1.999 ( -0.348 -4.423 0.217) 4.442 2.213 ( -0.656 3.691 0.807) 3.835 2.279 ( 0.011 -1.639 -0.912) 1.876 2.455 ( -1.008 -10.205 -0.795) 10.285 2.475 ( 2.918 -5.513 -5.274) 8.168 2.511 ( -0.880 -5.580 1.837) 5.940 2.691 ( 0.929 -0.443 -0.605) 1.194 2.722 ( 2.005 -3.691 1.840) 4.586 2.746 ( 0.074 1.242 -2.154) 2.488 2.874 ( -7.029 -4.351 3.651) 9.037 2.979 ( -0.560 -4.096 -8.852) 9.769 3.003 ( -2.980 -2.777 3.725) 5.520 3.124 ( -1.850 -3.612 3.675) 5.475 3.189 ( 0.255 1.000 2.882) 3.061 3.226 ( -2.206 1.784 -2.610) 3.855 3.290 ( 0.116 -1.274 3.152) 3.401 3.418 ( 1.355 3.465 2.353) 4.402 3.453 ( 7.845 -4.198 1.997) 9.119 3.498 ( -12.143 1.175 -6.695) 13.916 3.649 ( -2.266 -2.386 -5.008) 5.992 3.695 ( 1.291 -3.131 -6.422) 7.261 3.734 ( -0.900 0.556 -0.891) 1.383 3.810 ( 3.494 -3.992 -4.605) 7.025 3.863 ( 2.623 -3.435 -3.800) 5.755 3.884 ( -3.018 3.149 -0.679) 4.414 3.960 ( 3.835 -1.691 1.599) 4.486 3.989 ( 0.664 -2.485 0.279) 2.587 4.097 ( 10.930 -1.246 2.718) 11.332 4.148 ( 4.126 -4.998 -4.058) 7.646 4.162 ( 2.066 -2.949 0.592) 3.649 4.196 ( 1.717 -0.563 1.357) 2.260 4.347 ( 0.053 7.917 1.467) 8.052 4.426 ( -6.920 -2.017 5.084) 8.821 4.458 ( 1.594 3.946 3.056) 5.239 4.569 ( -1.702 3.402 0.725) 3.872 4.627 ( 1.974 1.726 1.299) 2.926 4.654 ( 0.489 1.066 0.764) 1.400 4.721 ( -3.288 5.596 3.554) 7.400 4.824 ( -2.971 0.210 -3.073) 4.280 4.856 ( -0.342 3.626 2.097) 4.203 4.884 ( -2.911 1.104 -2.708) 4.126 5.004 ( -1.100 -0.283 0.313) 1.178 5.074 ( -1.968 0.963 -0.710) 2.303 5.115 ( 2.869 3.316 1.423) 4.609 5.213 ( 1.009 -1.891 4.906) 5.354 5.286 ( -5.843 4.792 -3.015) 8.136 5.359 ( -4.206 -1.150 -2.424) 4.989 5.419 ( 1.893 -0.114 0.986) 2.138 5.476 ( 5.845 1.944 2.506) 6.650 5.500 ( -3.744 2.191 1.628) 4.634 5.642 ( 0.868 -1.305 5.109) 5.344 5.692 ( 2.426 -0.707 -1.149) 2.776 5.765 ( 3.021 1.573 -4.072) 5.309 5.788 ( -1.876 0.312 -0.271) 1.921 5.918 ( 0.860 -2.117 0.926) 2.466 5.971 ( -2.020 -0.453 0.043) 2.070 6.019 ( -1.510 -0.882 -0.907) 1.970 6.063 ( -1.845 0.907 -2.039) 2.895 6.157 ( -4.272 1.260 -3.840) 5.881 6.249 ( -0.031 0.912 1.334) 1.616 6.271 ( 1.194 -2.487 2.461) 3.696 6.348 ( 0.570 3.431 -3.698) 5.077 6.419 ( -0.567 -6.363 -0.032) 6.388 6.464 ( -1.599 -1.968 -1.654) 3.028 6.503 ( 2.683 3.514 5.820) 7.309 6.619 ( 2.797 -0.930 -0.197) 2.954 6.644 ( -0.440 2.803 -1.867) 3.396 6.743 ( -1.647 -4.508 1.269) 4.964 6.775 ( -0.236 0.031 3.509) 3.517 6.832 ( 1.521 -1.364 -1.985) 2.849 7.428 ( -2.641 -0.887 0.532) 2.836 7.462 ( 2.708 1.308 -0.460) 3.042 7.519 ( 1.881 3.703 -6.900) 8.053 7.590 ( -2.345 1.741 -1.905) 3.487 7.646 ( -1.630 6.053 -0.578) 6.296 7.717 ( 0.234 -1.607 0.202) 1.637 7.798 ( -0.531 -1.056 0.600) 1.326 7.922 ( 6.413 -2.245 1.027) 6.871 8.646 ( 5.618 11.507 -9.633) 16.024 9.107 ( -15.660 -8.326 0.905) 17.759 9.666 ( -0.465 0.509 3.529) 3.595 9.873 ( 9.014 -8.916 7.103) 14.533 10.109 ( -0.411 7.290 -2.313) 7.659 10.687 ( 3.805 4.758 -22.055) 22.881 12.799 ( -0.550 0.453 0.002) 0.713 12.862 ( 0.953 -0.487 -1.799) 2.093 12.889 ( 0.367 -0.604 0.273) 0.758 12.930 ( -1.145 -0.644 1.005) 1.654 12.983 ( 0.027 1.850 0.180) 1.859 13.038 ( 0.219 -1.131 0.313) 1.194 13.081 ( 1.627 -0.735 -0.285) 1.808 13.110 ( -0.348 -1.339 -0.095) 1.386 13.548 ( -0.156 0.114 0.829) 0.851 13.645 ( -1.175 -2.302 -0.242) 2.596 13.678 ( -0.549 0.279 -0.397) 0.732 13.714 ( -0.184 -0.779 0.464) 0.925 13.730 ( 0.718 0.798 1.161) 1.581 13.765 ( 0.832 0.289 -0.256) 0.917 13.864 ( 0.125 3.402 -0.043) 3.404 13.962 ( 0.159 0.504 -2.032) 2.100 17.185 ( -1.113 -0.206 1.562) 1.929 17.254 ( -0.561 -3.913 3.917) 5.565 17.376 ( -0.238 0.625 -0.058) 0.671 17.455 ( 0.326 -0.962 -0.117) 1.023 17.704 ( -0.268 1.042 -2.731) 2.935 17.755 ( 0.230 -0.562 -0.557) 0.824 17.786 ( -0.924 0.535 -1.802) 2.095 17.805 ( 0.131 -0.939 -1.264) 1.580 17.835 ( 0.199 0.263 0.222) 0.397 17.885 ( 4.280 0.312 -0.406) 4.310 17.894 ( -1.050 -1.143 0.264) 1.574 17.947 ( 6.225 -2.056 -0.245) 6.561 18.033 ( -0.802 1.205 -1.668) 2.209 18.063 ( 1.096 1.195 -0.316) 1.652 18.224 ( -1.260 0.201 0.557) 1.392 18.287 ( -2.307 -0.368 0.556) 2.401 18.321 ( -2.640 0.086 1.397) 2.988 18.381 ( -0.673 1.082 2.566) 2.865 18.413 ( -4.916 -0.548 5.060) 7.076 18.478 ( -0.788 -1.200 1.866) 2.354 18.542 ( 0.238 -0.014 0.404) 0.469 18.601 ( -0.970 0.733 -0.858) 1.488 18.649 ( 1.264 1.431 0.870) 2.098 18.731 ( 0.038 -0.082 -1.080) 1.084 28.544 ( 0.158 0.026 0.123) 0.202 28.559 ( 0.034 -0.366 0.081) 0.376 28.578 ( -0.126 0.510 -0.302) 0.606 28.594 ( 0.626 0.085 -0.038) 0.633 28.866 ( -0.265 0.445 0.326) 0.612 28.936 ( 0.068 0.083 0.009) 0.108 28.946 ( 0.370 -0.835 -0.797) 1.212 28.949 ( -0.419 0.026 0.065) 0.425 30.890 ( 0.021 4.553 2.455) 5.173 31.005 ( 1.205 2.959 1.206) 3.415 31.224 ( 8.012 0.747 3.163) 8.646 31.410 ( 0.833 -1.798 1.250) 2.343 31.539 ( -1.136 0.060 -0.979) 1.501 31.740 ( 0.127 -1.761 2.815) 3.323 31.880 ( 3.436 12.516 -12.457) 17.989 32.223 ( -1.728 -1.219 -0.078) 2.116 32.468 ( -0.293 2.876 2.689) 3.948 32.616 ( -5.108 -0.544 4.976) 7.152 32.865 ( -0.133 -1.748 -3.996) 4.364 32.979 ( -2.083 -3.102 -3.186) 4.910 33.073 ( 0.640 -6.921 -1.555) 7.123 33.209 ( 4.863 -2.862 0.214) 5.647 33.345 ( 6.218 -0.268 -2.919) 6.874 33.427 ( -4.246 1.681 2.751) 5.331 33.633 ( -3.517 1.074 1.311) 3.904 33.765 ( -1.555 -7.825 2.068) 8.242 34.098 ( 0.615 4.481 4.473) 6.361 34.360 ( -2.038 1.022 7.945) 8.266 34.483 ( 3.549 -1.269 -0.180) 3.773 34.560 ( -1.461 -2.612 0.730) 3.081 35.118 ( -0.305 0.237 -3.965) 3.984 35.157 ( -5.750 0.668 -6.156) 8.450 ======================= Grid point 42 (20/66) ======================= q-point: ( 0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 5.100 1.596 23.959) 24.547 1.127 ( 14.661 12.149 17.026) 25.543 1.474 ( 19.804 5.693 7.214) 21.832 1.671 ( 10.184 7.687 14.784) 19.528 1.821 ( -6.865 -4.489 4.934) 9.572 1.978 ( -1.302 -9.412 -1.301) 9.590 2.006 ( 1.037 -0.811 7.781) 7.891 2.181 ( -1.373 -4.480 -2.620) 5.369 2.303 ( 0.860 -4.624 2.557) 5.354 2.354 ( -6.008 -7.829 -3.751) 10.557 2.467 ( 0.803 5.005 -3.851) 6.366 2.521 ( -3.035 -3.860 6.282) 7.973 2.681 ( -3.299 0.893 1.549) 3.752 2.761 ( 3.243 -4.428 1.642) 5.729 2.779 ( -1.138 -0.280 -2.620) 2.871 2.853 ( 7.423 1.066 -0.104) 7.499 2.926 ( 0.527 -5.872 -6.518) 8.789 3.008 ( 2.461 -2.662 2.862) 4.619 3.137 ( -2.001 0.279 4.381) 4.824 3.152 ( -2.751 0.869 0.805) 2.995 3.223 ( -7.282 -4.052 2.437) 8.683 3.232 ( -3.851 5.292 0.021) 6.545 3.285 ( -3.150 0.944 -2.296) 4.011 3.444 ( -1.250 1.515 -1.214) 2.309 3.524 ( 3.236 -3.206 -1.924) 4.945 3.624 ( 1.511 -4.290 -0.823) 4.622 3.656 ( -1.661 -2.465 -3.874) 4.883 3.715 ( 2.450 -11.104 -2.176) 11.578 3.801 ( -0.719 1.219 -5.994) 6.159 3.860 ( 1.536 -0.406 -0.472) 1.658 3.910 ( 2.970 -3.618 -0.661) 4.727 4.023 ( 1.792 -1.748 -0.824) 2.635 4.042 ( 4.163 -1.422 -1.084) 4.530 4.086 ( -2.340 -2.461 -3.434) 4.829 4.191 ( 0.307 -3.802 1.892) 4.258 4.276 ( 4.075 -0.195 2.383) 4.725 4.287 ( 1.418 0.339 -3.129) 3.452 4.357 ( -0.482 -3.367 6.029) 6.922 4.406 ( 1.659 3.130 2.300) 4.224 4.469 ( -7.421 1.992 0.572) 7.705 4.505 ( -0.310 3.262 6.044) 6.875 4.591 ( -3.234 1.713 -4.727) 5.978 4.660 ( -3.351 0.522 -1.787) 3.833 4.702 ( -0.052 6.143 1.360) 6.292 4.758 ( -0.391 1.476 -3.472) 3.793 4.844 ( 0.996 7.273 -3.494) 8.130 4.923 ( 4.164 1.965 3.806) 5.974 4.991 ( -2.038 0.437 -2.291) 3.097 5.085 ( 1.525 2.027 3.688) 4.476 5.109 ( -2.597 1.228 0.647) 2.945 5.204 ( 3.162 3.123 -0.687) 4.497 5.265 ( -0.156 -3.082 2.439) 3.933 5.320 ( -0.138 -0.933 2.255) 2.444 5.413 ( -3.535 1.164 -0.528) 3.759 5.473 ( -1.423 3.498 4.313) 5.733 5.566 ( 2.833 2.212 -0.493) 3.628 5.647 ( -1.391 -5.491 0.449) 5.682 5.723 ( 0.694 0.105 -2.921) 3.004 5.734 ( -0.421 5.194 -0.875) 5.284 5.818 ( 2.822 -0.132 1.891) 3.399 5.890 ( -4.242 -0.890 -3.664) 5.676 5.943 ( 1.863 -0.102 -1.914) 2.673 6.010 ( 1.098 -0.453 0.448) 1.269 6.052 ( 1.169 2.729 -0.195) 2.976 6.091 ( -3.548 0.108 0.955) 3.676 6.258 ( -0.003 3.279 0.927) 3.407 6.298 ( 0.837 -0.809 -1.441) 1.853 6.325 ( -2.925 -0.255 -0.155) 2.940 6.396 ( -2.716 0.377 -2.712) 3.857 6.411 ( -0.202 -3.217 1.928) 3.756 6.538 ( -2.261 4.044 0.180) 4.636 6.576 ( -3.634 0.067 -0.485) 3.667 6.630 ( -0.207 1.473 -3.652) 3.944 6.729 ( -1.352 -5.952 3.448) 7.010 6.801 ( -0.529 -1.382 3.781) 4.061 6.900 ( 7.935 -4.185 -3.182) 9.519 7.375 ( -2.630 3.280 -0.448) 4.228 7.411 ( -3.562 4.844 -3.084) 6.757 7.522 ( -2.893 0.850 -0.643) 3.083 7.566 ( 2.963 1.987 -0.636) 3.624 7.641 ( 2.066 2.968 0.864) 3.718 7.770 ( 3.105 -0.446 1.158) 3.344 7.796 ( -0.248 -1.301 0.798) 1.547 8.004 ( 3.076 -5.221 -1.247) 6.187 8.623 ( 0.417 11.876 -6.624) 13.605 9.001 ( -1.113 -3.288 3.916) 5.233 9.682 ( -1.470 0.671 3.932) 4.251 9.969 ( -0.400 0.278 -1.456) 1.535 10.141 ( 5.361 -3.667 1.236) 6.612 10.545 ( -2.530 -2.191 -16.935) 17.263 12.774 ( -1.859 0.904 -0.394) 2.105 12.869 ( 0.840 -0.450 -0.957) 1.350 12.896 ( 0.042 -1.163 0.698) 1.357 12.914 ( -1.215 -1.577 0.445) 2.040 12.992 ( 0.700 1.737 0.098) 1.876 13.046 ( 0.522 0.797 0.607) 1.130 13.098 ( -0.655 -0.992 -0.609) 1.336 13.123 ( 2.373 -0.982 -0.048) 2.569 13.541 ( -1.294 -0.114 1.135) 1.725 13.617 ( -1.791 -1.974 0.153) 2.670 13.665 ( -0.414 0.057 -0.304) 0.517 13.708 ( -0.882 -0.843 0.395) 1.282 13.755 ( 1.203 0.803 0.624) 1.576 13.785 ( 1.600 0.122 -0.217) 1.619 13.858 ( -0.768 2.794 -0.056) 2.898 13.933 ( -1.563 0.561 -1.674) 2.358 17.177 ( -1.035 -0.175 1.429) 1.773 17.253 ( -2.166 -3.711 2.779) 5.117 17.364 ( -0.708 0.841 -0.111) 1.105 17.459 ( 0.153 -1.070 0.087) 1.084 17.692 ( 0.490 0.187 -0.972) 1.105 17.749 ( -0.285 -0.988 -1.339) 1.688 17.763 ( -0.546 -0.250 -1.030) 1.192 17.788 ( -0.215 -0.571 -0.745) 0.962 17.825 ( -1.046 1.061 -0.425) 1.549 17.877 ( -0.699 -0.153 -0.367) 0.804 17.926 ( -0.186 0.638 -0.312) 0.734 18.013 ( 0.483 -2.010 0.598) 2.152 18.020 ( 0.826 0.210 -1.126) 1.412 18.089 ( 1.265 0.520 -1.702) 2.183 18.200 ( -2.581 0.626 0.321) 2.675 18.252 ( 0.209 1.867 2.175) 2.875 18.293 ( 0.099 -2.636 0.317) 2.656 18.379 ( -1.403 0.832 3.145) 3.543 18.427 ( 1.034 0.477 3.262) 3.455 18.483 ( -0.722 -1.911 1.473) 2.519 18.539 ( -0.148 2.343 -0.634) 2.431 18.607 ( 1.534 1.727 0.300) 2.329 18.678 ( 1.618 1.293 -0.484) 2.127 18.732 ( 0.986 -0.120 -0.415) 1.076 28.541 ( -0.557 0.091 0.179) 0.592 28.561 ( 0.049 -0.411 -0.022) 0.414 28.580 ( 0.460 0.634 -0.167) 0.800 28.615 ( 1.436 -0.169 -0.165) 1.455 28.863 ( -0.274 0.466 0.288) 0.612 28.934 ( -0.553 0.026 -0.156) 0.575 28.936 ( -0.265 -0.671 0.044) 0.723 28.954 ( 0.642 -0.331 -0.404) 0.827 30.927 ( 1.169 4.865 3.746) 6.250 31.037 ( 2.196 3.358 0.317) 4.025 31.416 ( -0.654 -0.036 0.738) 0.987 31.457 ( 10.262 -3.972 -0.259) 11.007 31.557 ( 5.230 -1.249 -1.180) 5.505 31.787 ( 2.554 -3.589 3.568) 5.669 31.885 ( 7.392 7.474 -11.282) 15.421 32.214 ( 1.046 -3.091 -0.955) 3.400 32.488 ( -0.535 2.492 3.482) 4.315 32.577 ( -1.274 2.202 0.759) 2.655 32.846 ( 1.458 3.750 -5.279) 6.637 32.920 ( -1.982 -1.950 -2.357) 3.645 33.055 ( -1.220 -5.053 1.234) 5.343 33.256 ( 2.611 1.275 -4.108) 5.032 33.384 ( -1.537 -0.569 2.066) 2.637 33.472 ( 2.079 -3.975 2.221) 5.005 33.569 ( 0.358 -0.644 0.053) 0.739 33.735 ( -3.153 -7.449 0.896) 8.139 34.126 ( -1.174 6.390 2.534) 6.974 34.368 ( -4.593 -0.474 9.217) 10.309 34.531 ( -0.327 -0.076 1.346) 1.387 34.552 ( 1.895 -4.408 1.419) 5.004 34.939 ( -11.226 5.684 -1.725) 12.701 35.026 ( -6.695 -0.238 -4.996) 8.357 ======================= Grid point 43 (21/66) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 10.796 -5.336 22.436) 25.464 1.424 ( 5.777 5.084 10.551) 13.059 1.597 ( -16.006 -0.738 -0.939) 16.050 1.814 ( 7.219 -1.353 -1.693) 7.538 1.835 ( 1.966 4.790 4.911) 7.137 1.892 ( -3.597 6.119 -4.127) 8.211 2.086 ( -1.584 -1.571 5.099) 5.566 2.194 ( 3.824 -8.661 -3.733) 10.177 2.244 ( 0.841 -10.755 2.476) 11.068 2.396 ( 2.489 -0.714 3.594) 4.430 2.467 ( 1.026 5.026 -0.589) 5.163 2.563 ( 4.195 0.577 9.313) 10.231 2.643 ( 0.020 -3.485 -0.828) 3.582 2.782 ( -0.474 -0.992 -0.444) 1.186 2.825 ( 1.463 -5.167 2.579) 5.958 2.861 ( 0.645 -2.022 -3.153) 3.801 2.943 ( -0.718 -0.165 -4.557) 4.616 3.014 ( -1.674 -0.194 0.338) 1.719 3.106 ( 0.376 -4.693 -2.140) 5.171 3.166 ( 0.391 5.259 7.473) 9.146 3.188 ( -1.841 -2.096 -1.817) 3.329 3.206 ( 2.865 -0.980 5.529) 6.304 3.354 ( 2.503 -1.917 -3.306) 4.569 3.363 ( 2.747 5.769 5.198) 8.236 3.553 ( -3.576 -1.472 -6.103) 7.225 3.621 ( 0.564 -6.852 3.267) 7.611 3.655 ( 4.829 -5.349 1.244) 7.313 3.724 ( 1.093 -6.517 -3.981) 7.715 3.769 ( -0.548 -8.953 -3.561) 9.651 3.883 ( 0.642 -1.920 0.668) 2.132 3.923 ( -0.245 -2.073 -0.682) 2.196 3.950 ( -10.446 1.351 1.523) 10.642 4.004 ( -1.237 1.932 -2.026) 3.061 4.102 ( 4.845 1.281 -5.685) 7.579 4.207 ( -3.601 1.267 -3.537) 5.204 4.239 ( -0.653 0.336 0.638) 0.973 4.276 ( -7.679 3.872 -0.564) 8.618 4.324 ( -0.395 2.092 -2.167) 3.038 4.395 ( -2.103 4.115 -0.096) 4.622 4.423 ( -1.575 -3.417 3.656) 5.246 4.497 ( -1.668 2.156 -1.564) 3.143 4.533 ( -1.066 3.072 6.855) 7.587 4.611 ( -7.933 1.269 -4.943) 9.432 4.700 ( 3.692 4.630 -2.927) 6.606 4.777 ( 8.738 1.124 1.696) 8.972 4.862 ( 0.493 3.392 2.222) 4.085 4.946 ( 1.829 -0.858 -3.151) 3.742 5.047 ( 4.843 0.426 0.908) 4.946 5.119 ( 2.692 -2.327 0.185) 3.563 5.181 ( 3.366 -2.896 2.942) 5.326 5.246 ( -0.974 3.357 -0.802) 3.586 5.259 ( 0.716 3.630 1.680) 4.063 5.343 ( -0.619 -2.598 0.528) 2.722 5.368 ( -2.410 0.884 4.416) 5.108 5.464 ( -2.319 1.386 3.553) 4.463 5.566 ( 0.844 3.034 -3.292) 4.556 5.636 ( -0.672 -3.721 1.146) 3.951 5.698 ( 0.728 -1.247 -5.361) 5.552 5.733 ( -1.149 3.308 -2.857) 4.520 5.831 ( -0.362 4.151 -0.114) 4.169 5.857 ( -0.378 -0.222 4.180) 4.203 5.991 ( 2.783 -0.179 2.332) 3.635 6.016 ( -1.283 -1.004 1.499) 2.214 6.027 ( -3.124 -0.516 0.726) 3.248 6.082 ( 0.818 4.091 0.988) 4.287 6.238 ( -1.183 1.415 -0.576) 1.932 6.271 ( -1.399 -0.033 -0.219) 1.417 6.305 ( 0.406 0.051 -2.193) 2.231 6.350 ( -0.219 1.134 -2.227) 2.508 6.433 ( 0.796 -0.062 1.166) 1.413 6.472 ( -3.192 2.259 -1.602) 4.225 6.527 ( -2.007 -1.835 0.722) 2.814 6.609 ( -0.498 3.396 -0.433) 3.459 6.728 ( -1.285 -3.309 1.423) 3.824 6.805 ( -1.384 -1.914 1.587) 2.846 7.006 ( 7.122 -4.384 -5.696) 10.119 7.324 ( -2.105 7.185 -0.565) 7.508 7.375 ( -0.139 1.929 -0.222) 1.947 7.472 ( -2.063 1.415 -0.441) 2.540 7.599 ( 0.673 -0.899 1.396) 1.791 7.693 ( 3.093 0.666 -0.275) 3.176 7.770 ( -1.662 0.351 -0.509) 1.773 7.838 ( 2.307 -0.805 0.921) 2.611 8.019 ( 0.815 -6.594 -3.006) 7.292 8.592 ( 0.114 10.868 -3.172) 11.322 9.039 ( 1.122 -3.521 4.135) 5.546 9.669 ( -2.510 1.499 1.899) 3.487 9.934 ( -0.918 3.688 -1.131) 3.965 10.257 ( 6.075 -0.772 0.757) 6.170 10.384 ( -2.108 -10.436 -12.282) 16.254 12.743 ( -1.253 1.105 -0.110) 1.675 12.872 ( -0.161 -0.213 0.228) 0.351 12.900 ( -0.119 -2.297 -0.460) 2.346 12.905 ( 0.083 -0.871 0.760) 1.158 13.004 ( 0.635 1.609 -0.121) 1.734 13.054 ( -0.091 1.173 -0.032) 1.177 13.086 ( -0.096 0.238 -0.400) 0.476 13.152 ( 1.086 -1.146 -0.115) 1.583 13.529 ( -0.872 -0.386 1.117) 1.469 13.591 ( -1.598 -1.913 0.897) 2.649 13.664 ( 0.517 -0.679 -0.041) 0.855 13.693 ( -1.097 -1.207 0.420) 1.684 13.775 ( 0.789 1.448 0.031) 1.650 13.812 ( 1.271 0.143 -0.110) 1.283 13.843 ( -0.302 1.590 -0.343) 1.655 13.890 ( -2.011 0.629 -1.381) 2.520 17.173 ( -0.647 -0.229 1.550) 1.695 17.233 ( -1.994 -2.744 1.952) 3.913 17.356 ( -0.265 0.740 -0.059) 0.788 17.459 ( -0.206 -0.977 -0.003) 0.998 17.702 ( 1.194 -0.298 -0.637) 1.385 17.735 ( -0.050 -1.488 -1.122) 1.865 17.745 ( -0.837 -0.369 -0.970) 1.334 17.787 ( 0.453 -0.636 -0.694) 1.044 17.808 ( -0.287 1.228 -0.153) 1.271 17.866 ( -0.317 0.309 -0.553) 0.708 17.898 ( -1.626 0.960 -0.649) 1.996 17.991 ( -2.372 -0.869 1.334) 2.856 18.036 ( 0.313 -0.336 0.735) 0.867 18.094 ( 0.726 0.608 -0.366) 1.015 18.170 ( -1.431 2.279 2.096) 3.411 18.284 ( 1.585 1.175 -0.857) 2.151 18.321 ( 1.890 -1.887 -0.166) 2.676 18.381 ( -0.129 -1.284 1.480) 1.963 18.467 ( 0.643 -0.503 3.011) 3.120 18.471 ( -1.485 -1.966 0.931) 2.634 18.534 ( -0.077 3.291 -0.532) 3.335 18.636 ( 1.236 3.055 -0.126) 3.298 18.693 ( 0.861 0.606 -0.540) 1.183 18.752 ( 1.120 -0.579 -0.116) 1.267 28.532 ( -0.525 0.162 0.048) 0.551 28.560 ( -0.037 -0.530 -0.160) 0.555 28.586 ( 0.347 0.794 -0.154) 0.881 28.632 ( 0.840 -0.244 -0.458) 0.987 28.862 ( -0.167 0.378 0.374) 0.557 28.923 ( -0.403 -0.525 -0.167) 0.682 28.934 ( -0.149 -0.184 0.163) 0.288 28.963 ( 0.582 -0.354 -0.307) 0.747 30.960 ( -0.627 5.267 2.865) 6.028 31.073 ( 1.553 2.425 -0.320) 2.897 31.403 ( -0.346 1.187 -0.796) 1.470 31.548 ( 4.082 -2.809 -2.840) 5.711 31.654 ( 4.579 -0.023 -0.475) 4.604 31.872 ( 5.687 -0.450 -0.189) 5.708 31.931 ( 3.745 -2.745 -5.239) 7.001 32.237 ( 2.002 -4.569 -0.137) 4.990 32.474 ( -3.630 1.641 3.081) 5.036 32.608 ( 4.931 6.014 -2.343) 8.123 32.832 ( 1.706 4.765 -4.665) 6.883 32.887 ( -0.619 2.308 -0.659) 2.479 33.057 ( -1.988 -4.368 4.484) 6.568 33.252 ( 0.988 1.520 -4.067) 4.453 33.356 ( -2.995 1.582 1.400) 3.665 33.465 ( 0.548 -1.451 1.646) 2.262 33.641 ( -0.055 -4.423 -1.357) 4.627 33.703 ( 1.240 -7.951 3.028) 8.598 34.093 ( -2.918 6.302 -0.633) 6.974 34.340 ( -5.930 -5.042 8.697) 11.671 34.557 ( 3.016 0.846 1.622) 3.528 34.614 ( 3.089 -2.187 2.506) 4.539 34.786 ( -6.976 3.441 0.182) 7.781 34.849 ( -8.344 -0.317 -4.989) 9.728 ======================= Grid point 44 (22/66) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -19.547 3.200 8.010) 21.365 1.338 ( -17.403 2.836 -2.749) 17.846 1.528 ( 9.848 -4.960 9.484) 14.544 1.751 ( -4.207 3.277 -4.212) 6.796 1.852 ( 0.887 -2.690 -1.746) 3.328 1.920 ( 4.660 5.945 5.195) 9.168 2.179 ( 2.029 -1.340 -0.699) 2.530 2.206 ( -2.599 -10.528 1.314) 10.923 2.273 ( -1.113 -0.601 6.210) 6.338 2.443 ( -0.598 3.144 -4.126) 5.222 2.456 ( -3.036 -5.379 3.621) 7.160 2.598 ( 1.004 -2.960 -5.825) 6.611 2.697 ( -4.576 -3.756 5.489) 8.073 2.738 ( -0.038 -4.193 0.533) 4.227 2.758 ( -2.593 -0.087 -2.409) 3.541 2.883 ( 3.628 -1.243 -0.812) 3.920 2.984 ( 4.145 -1.796 2.199) 5.024 3.023 ( -2.088 -1.711 3.319) 4.278 3.090 ( 2.308 -0.531 -6.248) 6.682 3.146 ( -0.712 2.539 4.762) 5.443 3.217 ( -4.756 -3.239 -3.281) 6.624 3.229 ( -1.006 -3.387 4.276) 5.546 3.320 ( 0.559 -3.826 6.450) 7.520 3.442 ( -3.932 -0.462 -5.394) 6.691 3.599 ( 7.497 3.657 3.442) 9.024 3.619 ( -3.646 -3.365 -0.452) 4.982 3.688 ( 0.304 -5.310 1.265) 5.467 3.738 ( 5.740 -12.420 0.385) 13.688 3.753 ( -1.648 2.869 1.141) 3.500 3.819 ( -0.554 1.550 0.606) 1.755 3.903 ( -2.393 0.158 -0.021) 2.399 3.956 ( 3.751 1.084 0.390) 3.924 4.011 ( 3.378 6.922 -1.396) 7.828 4.093 ( -5.986 -4.703 -4.213) 8.701 4.101 ( 3.942 1.145 -3.415) 5.340 4.184 ( 2.949 -5.004 -4.878) 7.585 4.259 ( 1.022 3.837 2.411) 4.645 4.312 ( -2.339 5.679 -6.365) 8.845 4.363 ( -1.889 6.617 -1.585) 7.061 4.411 ( -0.864 1.778 -1.300) 2.366 4.439 ( -1.698 0.059 1.860) 2.519 4.498 ( -0.771 0.304 1.573) 1.778 4.637 ( 4.157 -0.931 7.850) 8.931 4.736 ( 2.409 7.474 -1.983) 8.099 4.861 ( -1.083 1.780 0.029) 2.084 4.910 ( 2.011 6.081 2.589) 6.908 4.995 ( 3.387 -1.308 -1.758) 4.034 5.055 ( -1.589 -4.398 -2.227) 5.180 5.131 ( -0.841 -2.689 0.408) 2.847 5.197 ( -2.640 -0.468 0.186) 2.688 5.235 ( -3.816 2.369 2.703) 5.242 5.275 ( 2.857 -3.019 2.127) 4.670 5.338 ( -1.040 -2.723 -0.127) 2.918 5.366 ( 0.355 -2.155 0.999) 2.402 5.466 ( -1.850 4.760 6.365) 8.161 5.581 ( 3.241 -0.024 -4.155) 5.270 5.639 ( 0.706 -0.157 -2.759) 2.852 5.657 ( 0.920 0.060 -5.940) 6.011 5.692 ( -1.963 3.154 0.700) 3.780 5.789 ( -3.817 0.290 1.453) 4.094 5.882 ( -1.372 -1.092 3.081) 3.544 6.002 ( -1.061 3.792 0.770) 4.012 6.021 ( 1.318 -0.424 2.681) 3.018 6.067 ( 2.214 -0.843 6.337) 6.766 6.116 ( 2.229 4.172 2.471) 5.337 6.219 ( -1.248 -1.874 -1.112) 2.511 6.263 ( 1.516 1.800 -1.182) 2.633 6.307 ( 1.500 0.926 -1.876) 2.574 6.351 ( 1.994 0.852 -2.176) 3.072 6.424 ( -1.665 2.091 0.636) 2.747 6.451 ( 1.024 0.294 -0.024) 1.066 6.513 ( -1.035 0.804 0.367) 1.361 6.615 ( 1.474 3.228 1.146) 3.729 6.698 ( -2.622 -3.036 -0.555) 4.050 6.782 ( -1.382 -2.206 -0.792) 2.721 7.030 ( 1.392 -3.849 -7.707) 8.727 7.315 ( 1.028 6.695 0.611) 6.801 7.369 ( -0.119 3.614 -0.649) 3.674 7.468 ( 1.366 -0.259 0.932) 1.674 7.605 ( -1.141 -1.571 1.008) 2.187 7.708 ( -1.598 0.878 -1.865) 2.608 7.755 ( 1.337 -0.588 0.140) 1.467 7.852 ( -1.589 -0.205 0.305) 1.632 7.994 ( -0.006 -6.507 -4.812) 8.093 8.573 ( -0.112 10.417 -2.007) 10.610 9.097 ( 1.711 -4.103 5.732) 7.254 9.634 ( -1.909 1.773 -0.163) 2.610 9.934 ( 1.016 2.392 -0.928) 2.760 10.225 ( -3.034 -4.066 -6.152) 7.974 10.439 ( 10.291 -5.649 -1.924) 11.896 12.736 ( 0.373 1.006 0.447) 1.162 12.871 ( -0.381 -0.512 0.821) 1.040 12.894 ( 0.046 -1.190 -0.884) 1.483 12.916 ( 0.601 -1.296 0.421) 1.490 13.006 ( -0.169 1.534 -0.522) 1.629 13.048 ( -0.281 1.100 -0.532) 1.253 13.086 ( 0.210 0.557 0.081) 0.600 13.158 ( -0.114 -1.040 -0.304) 1.089 13.527 ( -0.437 -0.812 0.886) 1.279 13.582 ( -0.151 -2.134 1.449) 2.584 13.679 ( 0.350 -1.477 0.177) 1.528 13.681 ( -0.070 -0.802 0.586) 0.995 13.777 ( -0.643 2.154 -0.430) 2.288 13.810 ( -0.462 0.578 -0.494) 0.889 13.848 ( -1.323 0.865 -0.887) 1.812 13.867 ( 2.444 0.201 -0.521) 2.507 17.177 ( -0.361 -0.321 1.824) 1.887 17.216 ( -1.433 -1.899 1.494) 2.809 17.353 ( 0.048 0.650 -0.050) 0.654 17.455 ( -0.085 -0.854 -0.243) 0.892 17.714 ( 0.127 -0.066 -1.118) 1.127 17.721 ( 0.250 -1.673 -0.696) 1.829 17.741 ( 0.947 -0.676 -0.453) 1.248 17.788 ( 0.154 -0.516 -0.581) 0.793 17.816 ( 1.050 0.515 0.099) 1.174 17.851 ( -0.575 0.566 -1.104) 1.368 17.885 ( 0.397 0.788 -0.287) 0.928 17.968 ( -1.416 -0.840 0.959) 1.905 18.045 ( -0.071 -0.102 1.365) 1.370 18.098 ( -0.220 0.667 -0.050) 0.704 18.183 ( 0.629 2.024 3.170) 3.813 18.297 ( 0.629 2.086 -1.095) 2.439 18.327 ( -0.864 -0.634 0.915) 1.409 18.399 ( 1.559 -3.124 -0.760) 3.573 18.442 ( -2.811 -1.214 1.281) 3.319 18.492 ( -0.461 -1.173 3.038) 3.289 18.531 ( 0.343 3.502 -0.683) 3.585 18.635 ( -0.621 3.669 -1.183) 3.905 18.704 ( 0.281 -0.042 0.167) 0.329 18.759 ( -0.157 -0.813 -0.244) 0.863 28.525 ( -0.129 0.173 -0.103) 0.240 28.558 ( 0.007 -0.612 -0.287) 0.676 28.588 ( 0.035 0.829 -0.180) 0.849 28.635 ( 0.064 -0.250 -0.732) 0.776 28.863 ( -0.076 0.279 0.488) 0.567 28.918 ( 0.011 -0.600 -0.218) 0.638 28.933 ( -0.074 -0.048 0.193) 0.212 28.968 ( 0.233 -0.284 -0.162) 0.401 30.945 ( -2.581 4.590 0.949) 5.351 31.080 ( -0.101 2.290 -0.906) 2.465 31.392 ( -0.259 1.008 -1.422) 1.763 31.567 ( 0.673 -3.086 -3.266) 4.543 31.695 ( 0.487 0.396 -0.089) 0.634 31.894 ( -2.862 0.197 -3.738) 4.712 31.973 ( 5.818 -3.718 -3.738) 7.851 32.279 ( 1.936 -4.761 1.697) 5.412 32.436 ( -2.804 3.020 2.837) 5.003 32.678 ( 4.287 5.170 -1.103) 6.806 32.844 ( 2.605 7.248 -3.136) 8.316 32.887 ( 1.186 -0.315 0.127) 1.234 33.027 ( -5.566 -2.574 5.772) 8.421 33.238 ( 0.602 0.296 -3.769) 3.828 33.364 ( 2.724 3.804 2.121) 5.137 33.489 ( -1.202 -0.547 1.401) 1.926 33.592 ( -0.587 -5.867 -2.258) 6.314 33.741 ( -2.145 -6.224 3.756) 7.579 34.056 ( 0.338 2.877 -1.144) 3.115 34.310 ( -3.720 -6.497 5.431) 9.249 34.559 ( -6.355 2.937 -1.446) 7.149 34.695 ( 2.515 -0.253 4.969) 5.575 34.722 ( -3.155 1.318 -0.768) 3.504 34.758 ( 7.944 -0.618 -1.691) 8.146 ======================= Grid point 45 (23/66) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -18.476 10.237 15.965) 26.477 0.972 ( -13.604 17.012 -3.065) 21.997 1.569 ( -7.823 -0.551 -2.800) 8.327 1.722 ( -24.084 7.389 -3.660) 25.456 1.823 ( 5.952 -2.611 7.265) 9.748 1.894 ( -10.150 -9.612 -4.191) 14.594 2.034 ( -1.291 -7.000 0.876) 7.171 2.188 ( -3.892 -1.673 2.258) 4.800 2.249 ( -5.555 0.483 3.593) 6.634 2.412 ( 7.923 1.772 3.160) 8.712 2.484 ( 0.011 -9.600 0.259) 9.604 2.608 ( 0.381 -9.868 -1.714) 10.023 2.640 ( -4.629 1.096 -7.297) 8.710 2.697 ( 3.668 -7.176 3.641) 8.843 2.798 ( 0.327 -0.666 0.556) 0.927 2.911 ( -4.143 -4.882 3.525) 7.309 2.991 ( -1.824 2.312 2.275) 3.722 3.056 ( 3.108 -1.949 1.598) 4.001 3.134 ( -0.431 0.325 -0.392) 0.667 3.145 ( 5.288 -2.012 -2.163) 6.057 3.246 ( 3.492 0.405 8.320) 9.032 3.258 ( 1.925 -2.813 3.624) 4.975 3.306 ( -2.226 -0.252 -0.651) 2.333 3.383 ( -3.097 -0.300 3.797) 4.909 3.524 ( -3.601 -1.017 0.351) 3.758 3.666 ( 1.475 1.038 -0.064) 1.805 3.698 ( -1.277 -7.186 -2.179) 7.617 3.738 ( 1.100 0.133 -3.240) 3.424 3.777 ( 1.784 -0.593 -2.162) 2.865 3.871 ( 2.657 -1.064 -1.105) 3.068 3.883 ( 0.544 -3.609 -3.885) 5.330 3.984 ( 1.419 -0.528 -2.662) 3.062 4.033 ( 0.942 -3.980 -1.273) 4.283 4.073 ( -3.749 1.290 -8.332) 9.227 4.121 ( 4.852 6.387 0.592) 8.042 4.184 ( -0.586 0.728 3.060) 3.199 4.256 ( -1.734 -1.509 -1.073) 2.537 4.311 ( 0.156 6.480 -5.252) 8.343 4.327 ( 3.322 2.427 0.030) 4.115 4.386 ( 2.803 1.808 1.347) 3.597 4.460 ( 0.650 0.182 2.378) 2.472 4.601 ( 6.956 -1.540 3.136) 7.784 4.715 ( -2.952 2.147 -0.451) 3.678 4.760 ( 4.664 3.427 -1.318) 5.936 4.808 ( -5.148 4.011 0.605) 6.554 4.917 ( -1.932 8.701 2.109) 9.159 4.996 ( 2.244 2.820 1.977) 4.110 5.013 ( -1.646 -2.935 0.138) 3.368 5.123 ( -5.380 -2.006 2.468) 6.250 5.152 ( -3.796 -0.909 2.228) 4.494 5.229 ( 0.953 0.435 0.583) 1.199 5.277 ( -1.476 -2.697 0.102) 3.076 5.324 ( 0.848 -3.868 3.799) 5.487 5.418 ( 1.424 -3.706 1.677) 4.310 5.443 ( -5.327 3.907 3.735) 7.589 5.585 ( 1.108 1.791 -5.976) 6.337 5.618 ( 1.370 0.181 -3.424) 3.692 5.659 ( 2.987 -1.951 -4.126) 5.454 5.676 ( -0.313 4.947 -0.489) 4.981 5.783 ( 0.384 -1.927 4.883) 5.264 5.870 ( -2.012 -3.634 2.550) 4.874 6.000 ( 0.216 4.377 1.093) 4.516 6.095 ( 3.726 0.886 3.618) 5.268 6.112 ( -2.719 2.253 0.930) 3.652 6.164 ( 1.801 -2.856 6.381) 7.219 6.228 ( 0.670 2.590 -2.850) 3.908 6.249 ( 0.550 1.289 -2.905) 3.225 6.338 ( 2.929 1.509 0.553) 3.341 6.382 ( 2.691 0.918 -0.702) 2.929 6.433 ( 1.053 1.042 2.034) 2.516 6.471 ( 0.653 -0.596 -2.088) 2.267 6.484 ( 0.024 1.779 -1.558) 2.365 6.646 ( -1.891 -4.063 -0.366) 4.496 6.665 ( 1.850 3.501 1.369) 4.190 6.759 ( 0.380 -1.659 -1.305) 2.144 6.961 ( -2.897 -4.326 -5.393) 7.496 7.340 ( 1.594 6.545 -1.217) 6.845 7.401 ( 4.701 3.745 0.785) 6.061 7.506 ( 0.833 -0.879 1.347) 1.812 7.586 ( 0.147 -0.321 -0.651) 0.741 7.662 ( -1.901 2.094 -0.532) 2.877 7.765 ( -2.130 -1.525 -0.780) 2.734 7.802 ( -2.172 -0.571 0.195) 2.254 7.953 ( -0.622 -3.549 -5.049) 6.203 8.566 ( 1.132 10.756 -1.723) 10.952 9.193 ( 3.223 -6.086 9.308) 11.579 9.615 ( -0.060 1.270 0.234) 1.293 9.908 ( -1.584 -4.598 -7.800) 9.192 10.157 ( -1.799 -0.646 -0.788) 2.067 10.603 ( 11.510 0.142 -5.893) 12.931 12.759 ( 1.540 0.672 0.807) 1.863 12.871 ( 0.016 -0.626 -0.148) 0.644 12.888 ( -0.015 -0.529 -0.850) 1.001 12.930 ( 0.504 -1.310 0.533) 1.502 12.997 ( -0.314 1.488 -0.256) 1.542 13.031 ( -0.909 1.071 -1.155) 1.819 13.096 ( 0.597 -0.592 0.546) 1.002 13.143 ( -1.249 -0.605 -0.781) 1.593 13.526 ( -0.245 -1.108 0.857) 1.422 13.608 ( 1.592 -2.373 1.650) 3.300 13.676 ( -0.076 -0.319 0.372) 0.496 13.700 ( 0.862 -1.320 0.365) 1.618 13.751 ( -1.587 1.457 -0.648) 2.250 13.791 ( -1.343 0.436 -0.663) 1.560 13.837 ( 0.817 2.192 -0.606) 2.416 13.911 ( 2.831 -0.025 -0.490) 2.873 17.185 ( -0.461 -0.385 1.989) 2.078 17.208 ( -0.854 -1.109 1.829) 2.303 17.357 ( 0.433 0.740 -0.051) 0.859 17.453 ( 0.113 -0.955 -0.452) 1.063 17.701 ( 0.110 0.084 -0.711) 0.724 17.740 ( 1.683 -1.239 -0.526) 2.155 17.756 ( 1.133 -0.342 -0.584) 1.320 17.781 ( -0.135 -0.737 -0.598) 0.959 17.839 ( 0.374 1.120 0.060) 1.182 17.846 ( 2.055 -0.421 -1.350) 2.494 17.893 ( 0.658 0.211 -0.335) 0.768 17.942 ( -1.849 -1.040 -1.555) 2.631 18.052 ( -0.309 0.123 1.462) 1.499 18.086 ( -0.932 0.907 -0.531) 1.405 18.229 ( 1.393 1.063 2.932) 3.415 18.282 ( -1.023 2.385 -0.434) 2.631 18.331 ( 0.167 -0.957 1.592) 1.865 18.397 ( -2.766 0.413 2.187) 3.550 18.425 ( 1.014 -2.791 -0.236) 2.979 18.498 ( -1.655 -1.924 4.000) 4.737 18.535 ( 0.456 3.476 -0.459) 3.536 18.611 ( -1.065 2.631 -0.069) 2.839 18.694 ( -1.327 0.255 -0.780) 1.560 18.747 ( -0.880 -0.914 -0.081) 1.271 28.527 ( 0.377 0.129 -0.125) 0.418 28.557 ( 0.137 -0.624 -0.311) 0.711 28.585 ( -0.217 0.702 -0.177) 0.756 28.626 ( -0.500 -0.387 -0.772) 0.998 28.866 ( -0.086 0.249 0.498) 0.563 28.921 ( 0.503 -0.390 -0.256) 0.686 28.934 ( 0.019 -0.132 0.181) 0.225 28.967 ( -0.203 -0.089 -0.078) 0.234 30.900 ( -2.752 3.839 0.275) 4.732 31.056 ( -1.895 2.728 -1.092) 3.496 31.375 ( -0.051 -0.669 -1.581) 1.718 31.511 ( -4.564 -4.986 -4.996) 8.405 31.665 ( -3.852 -0.222 -0.130) 3.861 31.800 ( -5.273 -2.075 0.318) 5.676 31.999 ( 3.802 4.850 -12.127) 13.603 32.302 ( -1.019 -2.803 1.175) 3.206 32.435 ( -1.128 1.742 5.603) 5.975 32.712 ( -1.791 3.281 2.446) 4.467 32.873 ( 4.203 5.629 -0.757) 7.065 32.937 ( 2.415 -6.196 1.705) 6.864 32.986 ( -1.736 -2.866 2.413) 4.129 33.201 ( -1.065 -0.062 -5.783) 5.880 33.424 ( -4.009 -3.262 -2.315) 5.663 33.462 ( 5.389 6.352 2.303) 8.643 33.588 ( -1.715 2.795 1.360) 3.550 33.721 ( -1.861 -10.815 4.965) 12.045 34.075 ( 0.567 1.724 1.286) 2.224 34.296 ( -1.485 -4.069 3.519) 5.581 34.448 ( -2.129 1.818 -4.042) 4.917 34.639 ( -4.246 -0.118 0.868) 4.336 34.854 ( 9.476 3.339 5.713) 11.558 34.930 ( 11.112 -0.337 -0.903) 11.154 ======================= Grid point 46 (24/66) ======================= q-point: (-0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -12.471 17.245 3.564) 21.578 0.958 ( -16.255 20.380 16.057) 30.617 1.175 ( -20.865 20.239 14.707) 32.577 1.377 ( -13.509 0.648 4.577) 14.278 1.784 ( -3.621 -11.178 0.809) 11.778 1.891 ( -0.631 -2.662 5.450) 6.098 2.013 ( -1.300 -7.184 0.063) 7.301 2.221 ( -0.403 3.225 4.040) 5.185 2.243 ( 3.704 -3.739 0.352) 5.275 2.456 ( -2.007 -1.369 -1.703) 2.967 2.478 ( -0.061 -9.721 -1.050) 9.777 2.527 ( -0.037 -5.924 -4.918) 7.700 2.648 ( 4.379 -1.913 -1.475) 5.001 2.746 ( -3.157 0.073 -1.150) 3.361 2.813 ( -3.738 -6.179 -0.251) 7.226 2.856 ( 2.147 -7.556 7.585) 10.919 3.016 ( -1.839 -1.600 7.409) 7.800 3.085 ( -1.572 -0.844 -9.110) 9.283 3.120 ( 0.242 -3.828 2.845) 4.776 3.193 ( 0.394 -5.718 1.317) 5.881 3.251 ( -1.165 -1.473 -0.848) 2.061 3.271 ( -1.589 1.016 3.063) 3.597 3.328 ( 1.352 1.919 1.246) 2.658 3.398 ( 1.727 3.852 0.185) 4.225 3.619 ( 7.138 -3.402 7.409) 10.836 3.653 ( -0.499 0.721 0.053) 0.878 3.695 ( -0.129 -2.713 -7.080) 7.583 3.727 ( -0.128 -1.229 0.029) 1.236 3.803 ( 7.441 -4.500 -6.793) 11.034 3.875 ( 1.897 -1.732 0.684) 2.658 3.895 ( 3.156 -2.269 -2.023) 4.382 3.912 ( -4.507 2.935 -5.920) 7.998 3.971 ( -2.439 -3.763 -4.174) 6.127 4.063 ( -1.493 1.659 -2.040) 3.024 4.101 ( -0.734 3.526 -2.053) 4.146 4.176 ( -1.585 2.838 -0.654) 3.316 4.210 ( -2.729 -3.590 1.265) 4.683 4.306 ( 3.567 5.151 -0.003) 6.266 4.392 ( 4.312 4.153 0.399) 6.000 4.475 ( -1.536 -2.397 3.245) 4.317 4.523 ( 6.036 2.774 3.181) 7.365 4.599 ( -2.914 2.501 -2.302) 4.477 4.689 ( -3.790 -0.226 1.007) 3.928 4.759 ( -1.198 3.887 4.315) 5.930 4.805 ( 0.997 3.423 0.668) 3.627 4.905 ( -2.496 9.459 1.677) 9.925 4.964 ( -4.363 -9.858 -0.814) 10.811 5.055 ( 0.433 -3.269 -0.503) 3.335 5.064 ( -1.482 2.968 -0.809) 3.414 5.095 ( -1.012 3.489 2.309) 4.305 5.209 ( -3.931 0.185 3.115) 5.019 5.338 ( 4.122 3.644 2.665) 6.113 5.370 ( -0.588 0.712 1.242) 1.548 5.384 ( 0.834 -3.120 1.066) 3.401 5.422 ( -1.016 1.083 -0.437) 1.548 5.551 ( -1.948 1.628 -1.715) 3.064 5.609 ( -1.525 -1.559 1.718) 2.777 5.674 ( 2.494 -1.415 -4.148) 5.042 5.708 ( 4.782 4.011 -0.828) 6.296 5.808 ( -1.233 -2.702 0.864) 3.093 5.894 ( 1.220 -3.248 5.599) 6.587 5.996 ( -2.852 1.782 1.851) 3.839 6.056 ( -2.542 2.078 -0.693) 3.355 6.125 ( -1.580 0.000 -4.001) 4.302 6.213 ( -0.259 1.136 3.770) 3.946 6.229 ( 1.054 -1.186 2.739) 3.166 6.266 ( 1.964 -2.961 -5.137) 6.246 6.377 ( 0.544 1.513 -2.894) 3.310 6.389 ( 0.566 1.323 -1.461) 2.051 6.432 ( 1.397 3.128 3.020) 4.567 6.479 ( -0.136 -3.412 0.531) 3.456 6.546 ( 4.478 -1.092 1.693) 4.910 6.633 ( 2.082 1.034 -1.754) 2.913 6.710 ( 2.484 -0.541 1.144) 2.788 6.771 ( 0.002 1.408 1.484) 2.046 6.873 ( -3.661 -3.274 -2.257) 5.406 7.376 ( 4.090 4.706 -0.921) 6.303 7.471 ( 0.525 0.877 -1.856) 2.119 7.521 ( 2.947 -0.684 -1.194) 3.252 7.620 ( 1.540 3.261 1.086) 3.766 7.655 ( -0.753 0.221 -2.260) 2.393 7.695 ( 0.962 0.229 0.973) 1.388 7.796 ( -0.311 -0.733 0.843) 1.160 7.893 ( -2.418 -0.219 -3.466) 4.232 8.594 ( 4.706 11.456 -3.924) 12.992 9.305 ( -2.373 -15.673 8.021) 17.765 9.645 ( 1.898 0.318 3.797) 4.257 9.767 ( -4.343 -4.704 -7.517) 9.874 10.134 ( -0.922 6.201 -0.606) 6.299 10.712 ( 10.312 5.302 -16.707) 20.336 12.790 ( 1.160 0.346 0.615) 1.358 12.867 ( 0.433 -0.603 -2.083) 2.212 12.884 ( 0.103 -0.104 -0.162) 0.218 12.936 ( -0.449 -0.681 1.004) 1.293 12.990 ( -0.724 1.803 0.047) 1.944 13.019 ( 0.968 -0.767 -0.514) 1.338 13.101 ( -1.741 -1.008 -0.788) 2.161 13.111 ( -0.202 -0.989 -0.066) 1.011 13.535 ( 0.510 -0.204 0.907) 1.060 13.645 ( 0.986 -2.703 1.017) 3.051 13.681 ( 0.376 0.106 -0.046) 0.394 13.711 ( 0.185 -1.144 0.317) 1.201 13.725 ( -0.925 1.222 0.203) 1.546 13.766 ( -0.742 0.360 -0.428) 0.929 13.853 ( 1.145 3.114 -0.229) 3.326 13.951 ( 2.345 0.203 -1.185) 2.635 17.189 ( -0.806 -0.299 1.837) 2.028 17.222 ( 0.155 -1.500 3.733) 4.026 17.368 ( 0.853 0.907 0.020) 1.245 17.452 ( 0.192 -0.975 -0.409) 1.075 17.714 ( 1.984 1.103 -1.798) 2.896 17.754 ( 0.260 -0.869 -0.549) 1.061 17.765 ( 1.577 1.461 -0.653) 2.247 17.800 ( 1.823 -2.170 -0.076) 2.836 17.836 ( 0.380 1.204 -2.094) 2.445 17.874 ( 0.310 -0.321 0.100) 0.457 17.885 ( -0.483 -0.964 -2.793) 2.994 17.901 ( -0.112 -1.057 0.558) 1.201 18.053 ( -0.605 0.946 0.408) 1.194 18.065 ( -0.778 1.141 -0.602) 1.507 18.241 ( -1.146 0.983 0.654) 1.645 18.286 ( 0.862 0.623 1.002) 1.461 18.341 ( -0.663 -0.043 0.659) 0.936 18.377 ( -1.771 0.754 3.218) 3.750 18.440 ( 0.077 -1.499 0.879) 1.740 18.496 ( -2.982 -2.837 4.869) 6.375 18.535 ( 0.023 1.313 0.170) 1.325 18.614 ( 0.111 0.436 2.133) 2.180 18.652 ( -2.238 0.794 -1.048) 2.596 18.736 ( -0.078 -0.465 -0.445) 0.648 28.535 ( 0.640 0.063 -0.027) 0.644 28.558 ( 0.165 -0.526 -0.127) 0.566 28.580 ( -0.135 0.571 -0.131) 0.601 28.607 ( -1.086 -0.488 -0.706) 1.384 28.867 ( -0.172 0.325 0.417) 0.556 28.931 ( 0.745 0.329 -0.232) 0.846 28.937 ( 0.366 -0.807 0.032) 0.887 28.960 ( -0.522 0.101 -0.111) 0.544 30.874 ( -0.567 4.275 1.531) 4.577 31.008 ( -2.444 2.294 -0.451) 3.383 31.307 ( -11.277 -3.685 -5.901) 13.251 31.385 ( 0.511 -1.369 0.055) 1.463 31.589 ( -4.098 -0.050 0.064) 4.099 31.743 ( -2.432 -0.857 1.709) 3.093 31.940 ( 1.498 11.856 -13.698) 18.178 32.268 ( -3.398 -0.861 0.926) 3.626 32.456 ( -0.972 1.712 4.088) 4.538 32.669 ( -5.305 0.903 4.697) 7.143 32.914 ( -3.818 -6.910 0.954) 7.952 32.978 ( 5.591 -1.093 0.577) 5.726 33.040 ( 4.322 -5.832 -2.057) 7.544 33.140 ( 0.710 -2.019 -3.659) 4.239 33.343 ( -1.782 -1.587 -3.939) 4.605 33.495 ( -2.924 6.587 -2.020) 7.485 33.614 ( 1.355 2.754 7.606) 8.202 33.752 ( 0.379 -9.287 3.955) 10.101 34.075 ( -1.422 2.821 2.698) 4.155 34.322 ( -0.085 -0.400 6.256) 6.270 34.435 ( 3.171 -0.326 -3.446) 4.694 34.586 ( -2.481 -1.111 0.506) 2.765 35.079 ( 7.484 0.228 -1.930) 7.732 35.097 ( 12.378 1.359 2.001) 12.612 ======================= Grid point 47 (25/66) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -6.243 18.080 6.917) 20.340 1.149 ( 2.243 15.693 6.753) 17.231 1.309 ( 1.352 -0.428 9.979) 10.079 1.535 ( 1.007 -13.377 5.423) 14.470 1.738 ( 5.221 2.028 6.962) 8.936 1.762 ( -4.836 -0.963 6.989) 8.553 1.932 ( -2.341 0.694 8.218) 8.573 2.130 ( -3.397 -14.036 2.605) 14.674 2.211 ( -0.114 5.418 2.415) 5.933 2.352 ( -1.575 2.323 2.221) 3.579 2.432 ( 4.643 1.418 -2.230) 5.343 2.498 ( -1.589 -0.597 -2.208) 2.785 2.614 ( 1.912 -4.960 -1.375) 5.491 2.723 ( 3.438 -4.048 3.850) 6.560 2.751 ( -2.710 -5.624 -0.847) 6.300 2.757 ( -2.378 -3.103 3.932) 5.544 2.849 ( 0.248 4.626 -0.196) 4.637 2.973 ( 0.761 -2.564 -1.633) 3.134 3.131 ( -2.499 6.434 5.479) 8.813 3.145 ( 2.807 -1.134 2.372) 3.846 3.246 ( 0.093 -3.382 4.778) 5.855 3.317 ( 0.445 -2.207 3.061) 3.800 3.360 ( -0.944 2.127 2.261) 3.244 3.414 ( -2.955 0.701 -5.278) 6.090 3.517 ( -0.466 -2.502 -7.112) 7.554 3.558 ( -3.440 -6.737 5.402) 9.295 3.645 ( 0.139 2.154 -5.430) 5.843 3.730 ( -0.540 -2.875 -4.742) 5.572 3.767 ( 3.986 0.232 -6.136) 7.321 3.808 ( 3.014 -4.193 -4.447) 6.814 3.905 ( -1.047 2.203 -3.835) 4.545 3.944 ( -4.055 -0.478 -5.579) 6.914 4.013 ( 2.075 -2.329 -2.294) 3.872 4.034 ( 0.773 -2.765 -2.496) 3.804 4.066 ( 1.970 5.035 -1.079) 5.513 4.158 ( 3.420 -0.945 3.167) 4.756 4.228 ( 3.318 3.611 -1.777) 5.216 4.354 ( -1.599 -6.408 -1.616) 6.800 4.442 ( -1.339 1.843 7.670) 8.001 4.493 ( -2.270 -4.276 3.068) 5.731 4.555 ( 0.071 2.500 2.108) 3.271 4.619 ( 1.455 -0.942 0.316) 1.762 4.699 ( -1.152 5.654 1.729) 6.024 4.830 ( 2.926 -3.140 3.713) 5.676 4.850 ( -1.955 4.156 -2.204) 5.094 4.885 ( 0.723 1.553 -0.908) 1.938 4.947 ( 2.645 1.364 2.396) 3.821 4.987 ( -0.426 -2.311 0.010) 2.350 5.153 ( -4.911 4.249 -0.726) 6.535 5.195 ( -3.959 2.637 -2.996) 5.622 5.244 ( -1.076 6.061 -0.980) 6.233 5.345 ( -2.203 -1.982 -0.734) 3.053 5.405 ( -0.813 2.536 0.193) 2.670 5.453 ( -2.356 2.159 0.561) 3.245 5.508 ( 5.163 2.824 0.352) 5.895 5.564 ( 0.388 -2.748 -1.693) 3.251 5.587 ( 0.505 2.406 6.336) 6.796 5.694 ( -0.674 -2.953 3.602) 4.706 5.727 ( 2.201 1.757 5.371) 6.065 5.823 ( -3.173 -4.314 6.532) 8.447 5.854 ( 3.283 2.018 -0.700) 3.916 5.912 ( -1.802 -2.875 -0.314) 3.407 6.032 ( -1.731 2.084 -5.890) 6.484 6.103 ( -0.326 -1.253 -2.932) 3.205 6.148 ( -3.146 1.241 -4.648) 5.749 6.235 ( 0.998 -1.446 -0.719) 1.899 6.307 ( 1.795 1.889 0.899) 2.757 6.351 ( 1.394 -0.048 -1.753) 2.241 6.390 ( 2.196 0.141 1.863) 2.883 6.452 ( 0.273 0.844 -1.602) 1.832 6.520 ( 0.317 -3.134 4.165) 5.222 6.565 ( 0.222 -0.401 2.660) 2.699 6.661 ( -1.787 1.111 -3.114) 3.758 6.716 ( -1.631 -1.709 -3.410) 4.148 6.778 ( 0.741 1.021 -0.529) 1.368 6.806 ( 0.163 -1.160 -1.113) 1.616 7.448 ( -1.863 1.863 -1.142) 2.872 7.478 ( 0.157 -0.643 -1.253) 1.417 7.535 ( 2.553 2.648 -1.332) 3.913 7.637 ( 0.332 -5.261 -0.494) 5.294 7.674 ( -0.569 3.943 -1.324) 4.199 7.728 ( 0.472 0.097 -0.214) 0.527 7.793 ( 0.437 2.287 2.609) 3.497 7.869 ( 2.404 -3.258 2.572) 4.797 8.821 ( 2.986 6.001 -5.876) 8.914 8.949 ( -3.776 -6.262 -1.367) 7.439 9.681 ( 0.349 1.253 3.553) 3.783 9.737 ( 3.134 -4.160 4.453) 6.852 10.332 ( -1.137 12.310 -6.123) 13.795 10.593 ( -0.628 -10.212 -12.692) 16.302 12.818 ( -0.058 1.345 -0.143) 1.354 12.847 ( 0.685 -1.008 -1.122) 1.656 12.885 ( 0.019 0.209 -1.100) 1.120 12.904 ( -1.145 -1.508 -0.463) 1.949 13.026 ( 0.264 1.971 -0.233) 2.002 13.035 ( 1.088 0.986 0.955) 1.751 13.059 ( 1.476 -1.232 -0.079) 1.924 13.073 ( -0.341 -1.970 0.165) 2.006 13.557 ( -0.444 0.862 0.533) 1.106 13.590 ( -0.714 -2.186 0.247) 2.313 13.691 ( -0.560 0.663 -0.095) 0.873 13.703 ( -0.448 -0.428 0.150) 0.638 13.753 ( 0.745 0.935 0.602) 1.339 13.766 ( 0.658 -0.275 0.322) 0.782 13.927 ( 0.125 2.223 -0.538) 2.290 13.959 ( 0.195 -0.771 -1.241) 1.474 17.184 ( -1.147 0.226 1.963) 2.285 17.200 ( -1.123 -1.411 2.643) 3.200 17.396 ( -0.091 1.207 0.007) 1.211 17.427 ( 0.153 -1.480 -0.023) 1.488 17.729 ( -0.670 1.015 -2.580) 2.852 17.747 ( 0.330 -0.409 -2.073) 2.139 17.768 ( -0.120 -0.520 -1.455) 1.549 17.783 ( -0.115 -1.131 -1.469) 1.857 17.845 ( 0.836 0.788 0.376) 1.209 17.867 ( 0.877 -1.125 0.535) 1.523 17.899 ( 3.053 0.646 -0.896) 3.247 17.915 ( 3.586 -0.942 -0.810) 3.795 18.062 ( -0.720 1.074 -2.166) 2.522 18.076 ( -0.077 -0.126 -1.351) 1.359 18.234 ( -1.741 0.924 0.458) 2.024 18.264 ( -0.968 -1.635 -0.450) 1.952 18.336 ( -3.802 1.541 3.561) 5.433 18.374 ( -2.485 -1.588 4.294) 5.209 18.428 ( -0.698 1.230 4.068) 4.307 18.449 ( -0.008 -0.852 2.517) 2.657 18.581 ( 0.449 1.977 0.012) 2.028 18.607 ( 0.204 -0.348 -0.225) 0.462 18.686 ( 0.619 1.714 0.137) 1.828 18.717 ( 0.305 -1.076 -0.395) 1.186 28.546 ( 0.145 0.167 0.162) 0.274 28.551 ( 0.103 -0.330 0.153) 0.378 28.589 ( 0.136 0.406 -0.302) 0.524 28.594 ( 0.473 -0.088 -0.185) 0.516 28.882 ( -0.075 1.101 0.127) 1.111 28.912 ( 0.069 -1.567 -0.117) 1.573 28.945 ( -0.022 0.277 -0.160) 0.321 28.949 ( -0.419 -0.099 -0.005) 0.431 31.000 ( 1.417 4.577 1.583) 5.046 31.051 ( 2.400 0.288 1.821) 3.026 31.268 ( 3.072 3.125 2.019) 4.825 31.348 ( 1.685 -3.712 1.087) 4.219 31.568 ( -2.460 3.135 0.537) 4.021 31.665 ( -2.048 -4.819 1.909) 5.573 32.079 ( 0.125 6.469 -7.550) 9.944 32.178 ( -1.934 -2.933 -2.552) 4.342 32.563 ( -2.660 5.794 5.409) 8.361 32.704 ( -0.686 1.374 -0.661) 1.672 32.729 ( -0.824 -1.625 1.180) 2.170 32.902 ( 2.469 -8.541 -2.181) 9.154 33.017 ( 1.520 3.761 -0.606) 4.102 33.112 ( 4.905 -4.894 2.030) 7.220 33.373 ( 1.026 2.573 0.669) 2.850 33.437 ( -4.476 -1.932 3.489) 5.995 33.630 ( -1.838 -0.071 -2.643) 3.220 33.660 ( -1.678 -2.289 -3.294) 4.348 34.205 ( 1.407 5.470 4.333) 7.119 34.326 ( 0.107 -4.868 6.288) 7.953 34.476 ( 0.957 1.819 -0.487) 2.112 34.521 ( -0.965 -1.762 0.616) 2.101 35.128 ( -0.242 0.709 -4.782) 4.841 35.148 ( -1.200 -0.950 -5.703) 5.905 ======================= Grid point 48 (26/66) ======================= q-point: ( 0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 2.073 19.701 8.528) 21.568 1.449 ( 19.229 11.421 7.863) 23.707 1.476 ( 5.876 -11.252 5.574) 13.864 1.665 ( 12.756 -1.920 6.337) 14.372 1.781 ( -0.467 2.167 10.282) 10.518 1.800 ( -1.842 0.754 3.008) 3.607 1.967 ( 1.100 -4.609 4.362) 6.441 2.072 ( -5.403 -13.153 3.618) 14.673 2.214 ( -1.964 4.559 0.572) 4.997 2.333 ( -1.179 6.085 2.785) 6.795 2.414 ( -4.236 -6.605 -0.689) 7.877 2.509 ( 3.346 -3.412 -0.674) 4.826 2.616 ( -2.089 -3.811 4.850) 6.513 2.710 ( -3.150 -8.201 2.506) 9.136 2.758 ( 2.661 0.787 1.826) 3.322 2.812 ( -1.957 1.000 1.796) 2.838 2.881 ( 3.750 3.485 0.906) 5.199 2.987 ( 0.723 -2.308 -1.429) 2.809 3.125 ( -4.426 -2.287 -1.590) 5.229 3.169 ( -3.206 -1.273 -1.418) 3.729 3.214 ( -2.684 6.027 5.013) 8.286 3.289 ( -3.561 2.972 -3.307) 5.697 3.344 ( 0.234 -3.126 1.831) 3.630 3.384 ( 0.818 -4.202 1.053) 4.409 3.465 ( -0.775 3.091 1.237) 3.418 3.508 ( -1.251 4.431 -1.561) 4.862 3.620 ( -1.641 -1.380 -3.685) 4.264 3.691 ( 1.778 -2.138 -3.257) 4.283 3.780 ( 0.539 -2.875 -4.547) 5.407 3.797 ( 0.531 -3.201 0.676) 3.315 3.891 ( 2.357 0.169 -3.685) 4.378 3.948 ( 5.106 -6.291 -3.315) 8.755 4.016 ( 3.383 -0.294 -5.616) 6.562 4.061 ( 4.632 -4.519 -3.031) 7.146 4.107 ( 1.214 5.344 2.764) 6.138 4.226 ( 1.310 -5.257 2.275) 5.876 4.283 ( 3.771 1.045 -2.418) 4.600 4.315 ( -0.564 -1.355 -3.140) 3.466 4.469 ( -1.936 0.223 3.637) 4.127 4.494 ( -0.634 -2.035 3.224) 3.865 4.570 ( 1.115 3.655 1.370) 4.060 4.648 ( -1.817 -0.147 2.301) 2.936 4.671 ( -1.596 8.305 2.821) 8.915 4.771 ( -7.527 3.110 -3.039) 8.693 4.803 ( -2.936 -0.368 -4.858) 5.688 4.899 ( 1.494 -4.180 -1.937) 4.843 5.007 ( 3.187 3.134 3.113) 5.447 5.031 ( 4.484 1.717 0.208) 4.806 5.116 ( 0.088 0.813 -0.515) 0.967 5.124 ( -1.124 -0.143 -3.288) 3.477 5.235 ( -1.147 2.919 5.883) 6.667 5.298 ( -0.390 1.227 -1.515) 1.988 5.371 ( -4.050 -0.944 1.099) 4.301 5.408 ( -3.251 4.428 0.274) 5.500 5.519 ( -2.947 -1.445 0.977) 3.425 5.582 ( -0.355 3.378 0.728) 3.474 5.629 ( 1.190 1.465 3.444) 3.927 5.680 ( -2.517 -4.154 -0.522) 4.885 5.805 ( -0.078 0.957 5.189) 5.277 5.819 ( 0.242 0.557 3.946) 3.992 5.902 ( 2.864 1.951 -0.192) 3.471 5.939 ( 4.038 -0.390 -2.479) 4.754 5.989 ( -0.844 -0.049 -0.657) 1.070 6.041 ( -3.877 -3.820 1.658) 5.690 6.128 ( 2.347 4.271 -2.111) 5.311 6.237 ( 0.334 -4.280 -2.179) 4.814 6.324 ( 0.992 0.780 -2.842) 3.110 6.334 ( -1.541 0.473 -2.675) 3.123 6.414 ( 0.124 4.942 -0.241) 4.949 6.448 ( -0.391 3.570 1.283) 3.814 6.540 ( -3.761 -3.287 0.336) 5.006 6.557 ( -0.546 -5.740 -0.326) 5.775 6.622 ( -0.703 0.674 3.353) 3.492 6.649 ( -1.389 -0.822 -3.490) 3.845 6.788 ( 0.459 0.856 -0.079) 0.975 6.825 ( 4.325 -2.520 -3.417) 6.061 7.418 ( -0.369 2.233 -1.595) 2.769 7.461 ( -0.695 -1.062 -2.214) 2.552 7.549 ( -0.631 2.743 0.272) 2.828 7.607 ( -2.116 -1.032 -0.742) 2.469 7.684 ( 1.752 2.352 -0.100) 2.934 7.738 ( 1.370 -2.473 0.423) 2.858 7.833 ( 0.701 4.262 2.747) 5.119 7.920 ( 0.829 -3.469 2.305) 4.247 8.814 ( 1.271 6.110 -5.447) 8.283 8.919 ( 1.115 -4.072 -1.014) 4.342 9.714 ( 0.157 2.898 3.728) 4.724 9.832 ( 3.891 -7.975 3.935) 9.707 10.243 ( -3.008 9.287 -6.025) 11.472 10.441 ( -5.176 -7.618 -12.235) 15.314 12.804 ( -1.305 1.864 -0.303) 2.296 12.850 ( 0.122 -1.939 -0.588) 2.030 12.874 ( -0.619 -0.249 -0.576) 0.882 12.884 ( 0.004 -0.908 -0.546) 1.060 13.030 ( 0.410 1.711 -0.168) 1.768 13.061 ( 0.068 -0.506 0.206) 0.550 13.077 ( 1.742 0.317 0.250) 1.788 13.101 ( 2.612 -1.105 -0.158) 2.840 13.543 ( -1.551 0.553 0.832) 1.845 13.570 ( -1.679 -1.903 0.457) 2.579 13.674 ( -1.021 0.668 -0.179) 1.233 13.690 ( -1.084 -0.750 0.058) 1.320 13.776 ( 1.322 0.813 0.427) 1.610 13.786 ( 1.369 -0.165 0.186) 1.391 13.910 ( -1.450 1.874 -0.477) 2.417 13.936 ( -1.652 -0.484 -1.051) 2.017 17.176 ( -1.259 0.281 1.857) 2.261 17.195 ( -1.578 -1.593 2.434) 3.309 17.390 ( -0.545 1.509 0.023) 1.604 17.427 ( -0.150 -1.767 0.103) 1.777 17.704 ( -0.201 0.793 -1.410) 1.630 17.724 ( -0.587 -1.104 -1.892) 2.268 17.756 ( -0.112 0.046 -1.088) 1.095 17.769 ( -0.145 -0.984 -1.199) 1.558 17.850 ( -0.254 1.203 -0.492) 1.324 17.872 ( -0.156 -0.604 -0.203) 0.656 17.944 ( 0.967 1.006 -0.279) 1.423 17.971 ( 1.879 -1.539 0.147) 2.433 18.036 ( -0.158 1.125 -1.762) 2.096 18.069 ( 1.073 -1.734 -1.996) 2.853 18.214 ( 0.311 1.007 -0.824) 1.338 18.245 ( -0.555 -1.770 -0.118) 1.859 18.310 ( -1.760 2.729 3.191) 4.552 18.363 ( -2.349 -2.016 3.569) 4.725 18.450 ( -0.272 0.982 3.510) 3.655 18.461 ( -0.813 -0.210 2.740) 2.866 18.597 ( 1.103 2.478 0.018) 2.712 18.629 ( 2.082 -0.152 0.155) 2.094 18.702 ( 1.067 0.990 -0.230) 1.474 18.722 ( 0.652 -0.772 -0.324) 1.062 28.544 ( -0.404 0.254 0.176) 0.509 28.552 ( -0.186 -0.398 0.111) 0.453 28.595 ( 0.747 0.721 -0.189) 1.055 28.608 ( 1.107 -0.435 -0.153) 1.199 28.880 ( -0.311 1.059 0.115) 1.110 28.908 ( -0.438 -1.445 -0.094) 1.513 28.941 ( -0.151 0.362 -0.040) 0.395 28.948 ( 0.263 -0.276 -0.164) 0.415 31.056 ( 2.441 5.555 2.549) 6.581 31.103 ( 2.288 1.499 0.182) 2.742 31.387 ( 3.229 -0.445 2.419) 4.059 31.427 ( 8.765 -2.411 4.051) 9.952 31.546 ( 0.491 2.325 -1.520) 2.821 31.654 ( -0.527 -6.556 1.301) 6.705 32.039 ( 1.865 5.853 -7.126) 9.408 32.141 ( 0.171 -3.692 -3.061) 4.799 32.558 ( -2.026 5.121 4.150) 6.896 32.701 ( 0.696 -3.502 -0.900) 3.683 32.742 ( 1.900 4.392 -0.054) 4.785 32.922 ( 1.597 -7.545 -1.453) 7.848 33.063 ( 3.411 8.507 1.024) 9.222 33.226 ( 5.228 -5.471 3.574) 8.369 33.387 ( -1.765 1.851 -0.615) 2.630 33.421 ( 2.491 -1.004 3.047) 4.062 33.541 ( -5.217 -0.466 -3.167) 6.121 33.600 ( -2.480 -5.164 -3.543) 6.736 34.241 ( -1.508 4.741 4.135) 6.469 34.333 ( -5.308 -3.258 6.852) 9.260 34.504 ( 2.756 0.184 -0.204) 2.770 34.524 ( 0.888 -0.947 1.204) 1.770 35.007 ( -8.545 1.272 -5.152) 10.059 35.020 ( -7.338 -0.323 -5.475) 9.161 ======================= Grid point 49 (27/66) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 7.296 14.647 11.099) 19.773 1.563 ( 1.539 -11.068 1.719) 11.306 1.638 ( -1.995 10.896 -0.435) 11.086 1.717 ( -5.674 3.274 3.238) 7.308 1.846 ( 0.530 -3.232 2.929) 4.394 1.954 ( -1.465 -10.156 -1.726) 10.406 2.070 ( 2.335 -0.132 0.454) 2.383 2.076 ( 16.458 3.761 4.723) 17.530 2.195 ( -0.487 5.236 6.701) 8.518 2.348 ( -0.736 2.567 3.523) 4.421 2.414 ( 3.231 -5.964 5.551) 8.765 2.501 ( -2.662 -2.232 -2.369) 4.205 2.603 ( -4.651 -6.520 4.677) 9.274 2.683 ( -2.748 -11.396 5.876) 13.113 2.774 ( 0.658 2.611 -2.189) 3.470 2.817 ( 0.827 -1.259 -1.465) 2.101 2.905 ( -0.373 -3.298 1.142) 3.510 2.971 ( -3.524 -5.065 -0.574) 6.197 3.028 ( -2.659 0.616 -2.242) 3.532 3.060 ( 0.292 -1.346 -3.408) 3.676 3.251 ( -0.936 1.064 6.473) 6.626 3.272 ( -1.034 2.919 5.826) 6.597 3.302 ( -2.711 -2.117 -4.033) 5.300 3.374 ( 1.167 -6.574 -3.728) 7.647 3.473 ( 0.452 0.579 -1.804) 1.948 3.571 ( -1.421 -2.287 -1.008) 2.875 3.620 ( 7.082 10.533 5.036) 13.655 3.692 ( 1.640 -0.573 -3.176) 3.620 3.762 ( 0.414 4.469 -1.933) 4.887 3.823 ( 1.756 0.799 0.884) 2.122 3.906 ( 0.366 -3.542 -4.726) 5.918 3.988 ( 4.502 -3.971 -2.235) 6.405 4.043 ( 0.047 0.536 1.107) 1.230 4.062 ( -0.368 0.005 -3.078) 3.100 4.173 ( 2.762 -1.307 -0.699) 3.135 4.237 ( -3.077 -3.930 3.951) 6.366 4.284 ( -1.595 -0.595 -3.919) 4.272 4.308 ( 2.434 -2.375 0.955) 3.532 4.446 ( -0.906 6.840 -0.089) 6.901 4.509 ( 0.955 2.656 -0.304) 2.839 4.572 ( -3.031 0.399 0.786) 3.157 4.593 ( -1.817 4.065 -0.681) 4.505 4.640 ( -2.741 -0.386 0.212) 2.777 4.718 ( -2.147 0.055 -2.053) 2.971 4.770 ( 6.337 2.619 -0.017) 6.857 4.879 ( -1.099 -3.278 -1.393) 3.728 5.041 ( -1.707 0.757 -1.516) 2.405 5.065 ( 0.386 3.675 2.210) 4.305 5.104 ( 1.953 0.443 -3.553) 4.079 5.160 ( 2.881 -0.064 -1.025) 3.059 5.282 ( 1.539 -0.440 2.041) 2.594 5.292 ( -1.357 -0.776 2.475) 2.927 5.317 ( -1.721 1.570 0.549) 2.393 5.361 ( -2.105 4.682 1.194) 5.271 5.487 ( -1.334 -4.566 1.361) 4.947 5.558 ( -2.025 -1.149 0.428) 2.367 5.638 ( -1.952 -1.025 1.877) 2.896 5.662 ( -0.198 0.905 2.216) 2.402 5.795 ( -1.754 2.119 -1.723) 3.246 5.830 ( -2.422 -1.497 1.906) 3.426 5.927 ( -3.045 3.805 2.795) 5.618 5.979 ( 0.954 0.739 1.644) 2.039 6.001 ( -2.944 -1.985 3.431) 4.938 6.008 ( 3.019 -1.092 0.585) 3.264 6.163 ( 3.096 3.610 -1.414) 4.961 6.234 ( 1.914 -1.086 -2.284) 3.172 6.282 ( -1.751 1.121 -0.495) 2.137 6.317 ( 0.414 -1.285 -1.568) 2.069 6.409 ( -0.496 5.792 -0.784) 5.865 6.453 ( 0.295 1.655 -0.151) 1.688 6.483 ( -0.091 -1.265 -0.586) 1.397 6.538 ( -1.684 -1.739 -1.259) 2.729 6.602 ( -0.943 -0.484 0.802) 1.329 6.669 ( 0.958 -3.007 1.175) 3.367 6.789 ( 0.813 2.576 -2.923) 3.980 6.888 ( 5.329 -5.610 -3.974) 8.698 7.412 ( 0.486 1.818 -1.111) 2.185 7.434 ( 0.176 0.795 -1.604) 1.799 7.524 ( -2.518 3.394 0.383) 4.243 7.577 ( -1.190 -1.403 0.423) 1.888 7.715 ( 1.845 1.663 -0.456) 2.526 7.761 ( 0.169 -1.998 0.696) 2.123 7.850 ( 0.111 2.947 0.558) 3.001 7.924 ( -1.554 -3.261 0.713) 3.682 8.799 ( 0.833 7.961 -3.451) 8.717 8.942 ( 1.879 -5.377 -0.525) 5.720 9.731 ( -0.867 4.920 1.287) 5.159 9.900 ( 1.458 -9.080 -0.628) 9.218 10.186 ( 0.555 3.314 -1.870) 3.845 10.290 ( -2.285 -3.714 -6.003) 7.420 12.779 ( -1.030 2.258 -0.206) 2.490 12.838 ( -0.777 -2.907 -0.179) 3.014 12.874 ( 0.644 0.199 -0.292) 0.735 12.886 ( 0.392 -0.820 -0.095) 0.914 13.036 ( 0.442 1.213 -0.414) 1.356 13.056 ( -0.200 -0.663 -0.393) 0.796 13.109 ( 1.470 1.480 -0.184) 2.094 13.133 ( 1.387 -0.715 -0.538) 1.651 13.523 ( -1.485 0.132 1.139) 1.876 13.545 ( -1.767 -1.840 0.918) 2.711 13.661 ( -0.378 0.252 -0.017) 0.455 13.672 ( -0.904 -0.754 0.151) 1.187 13.801 ( 1.389 0.881 0.006) 1.645 13.813 ( 1.493 -0.199 0.013) 1.506 13.878 ( -1.697 1.366 -0.419) 2.219 13.896 ( -2.049 -0.254 -0.755) 2.198 17.171 ( -0.941 0.175 1.893) 2.121 17.187 ( -1.373 -1.359 2.245) 2.961 17.382 ( -0.385 1.669 0.070) 1.714 17.424 ( -0.245 -2.023 0.101) 2.040 17.700 ( 0.579 0.113 -1.266) 1.397 17.709 ( 0.100 -0.772 -1.362) 1.569 17.744 ( -0.344 0.339 -0.816) 0.948 17.762 ( 0.139 -1.242 -0.637) 1.403 17.840 ( -0.136 1.579 -0.885) 1.815 17.866 ( 0.020 -0.624 -0.725) 0.956 17.928 ( -1.504 1.614 -0.560) 2.277 17.963 ( -1.694 -1.578 0.108) 2.317 18.042 ( 1.022 1.075 -0.343) 1.523 18.078 ( 1.122 -1.762 -1.238) 2.428 18.223 ( 0.258 2.278 0.990) 2.497 18.267 ( 3.230 -1.908 -0.772) 3.830 18.318 ( 0.663 0.973 0.794) 1.420 18.345 ( -2.368 -1.713 2.218) 3.669 18.462 ( -1.625 0.431 3.078) 3.507 18.467 ( -0.883 0.173 3.494) 3.608 18.609 ( 0.298 3.322 0.017) 3.336 18.665 ( 1.451 -1.241 0.496) 1.973 18.710 ( 0.360 1.476 -0.863) 1.748 18.736 ( 1.103 -0.848 -0.506) 1.480 28.537 ( -0.416 0.380 0.004) 0.564 28.548 ( -0.235 -0.550 -0.067) 0.602 28.606 ( 0.554 0.928 -0.256) 1.111 28.623 ( 0.737 -0.621 -0.357) 1.028 28.875 ( -0.264 0.885 0.144) 0.935 28.900 ( -0.390 -1.272 -0.084) 1.333 28.941 ( 0.037 0.553 0.139) 0.571 28.953 ( 0.348 -0.517 -0.032) 0.624 31.092 ( -0.115 5.051 0.676) 5.097 31.124 ( 0.668 1.495 -1.047) 1.944 31.435 ( 1.212 3.559 0.898) 3.866 31.557 ( 2.126 1.063 -3.111) 3.915 31.607 ( 7.174 -4.862 2.972) 9.162 31.669 ( 0.614 -7.549 3.117) 8.191 32.035 ( 2.676 5.328 -4.755) 7.626 32.139 ( 1.667 -4.421 -1.611) 4.992 32.554 ( -1.439 5.961 2.556) 6.644 32.709 ( 1.218 -6.051 -1.256) 6.299 32.786 ( 2.888 6.079 -0.047) 6.730 32.936 ( 0.589 -5.483 -0.098) 5.516 33.130 ( 3.209 11.569 -0.508) 12.016 33.322 ( 2.756 -0.255 0.921) 2.917 33.353 ( -1.678 0.250 1.459) 2.238 33.429 ( -2.576 1.189 -2.677) 3.901 33.514 ( -1.175 -7.806 3.066) 8.468 33.542 ( 2.970 -5.575 -1.159) 6.423 34.194 ( -6.112 3.705 1.096) 7.231 34.263 ( -6.948 -2.746 4.991) 8.985 34.570 ( 5.032 0.477 0.999) 5.152 34.583 ( 4.563 -0.851 1.756) 4.963 34.827 ( -8.628 0.885 -3.225) 9.253 34.842 ( -8.070 -0.480 -3.737) 8.906 ======================= Grid point 50 (28/66) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.684 13.545 12.624) 19.099 1.469 ( -9.540 5.271 -6.518) 12.699 1.527 ( 1.322 3.689 -4.945) 6.309 1.725 ( 2.558 -6.010 1.766) 6.766 1.844 ( -5.548 -3.277 6.048) 8.837 1.924 ( 1.707 -3.671 -0.574) 4.089 2.049 ( -2.885 3.819 -0.843) 4.860 2.217 ( 3.274 -4.299 0.055) 5.404 2.248 ( -9.636 -0.985 0.761) 9.716 2.326 ( -0.996 1.391 2.628) 3.136 2.422 ( -3.322 -2.867 -3.313) 5.499 2.466 ( -7.902 -0.634 6.579) 10.302 2.601 ( 3.442 -6.326 4.302) 8.389 2.711 ( -1.536 -7.246 5.223) 9.063 2.773 ( 0.157 -2.256 -0.877) 2.426 2.806 ( 3.198 -5.002 -4.382) 7.379 2.914 ( 0.933 0.467 0.692) 1.252 2.960 ( 0.476 -4.022 1.152) 4.211 3.011 ( 1.983 1.861 -2.254) 3.532 3.085 ( 4.252 -4.590 0.163) 6.259 3.181 ( -5.182 2.313 1.903) 5.986 3.262 ( -3.158 -4.728 2.710) 6.299 3.330 ( 0.029 5.633 3.661) 6.718 3.393 ( -0.044 2.436 -0.958) 2.618 3.490 ( 4.654 -4.922 1.073) 6.858 3.563 ( -0.438 -5.256 0.870) 5.346 3.640 ( -4.606 5.672 -2.758) 7.810 3.737 ( 2.738 1.493 -0.658) 3.187 3.746 ( 5.050 -0.772 0.778) 5.167 3.828 ( -2.456 -7.547 -3.180) 8.550 3.923 ( -1.138 1.570 -0.071) 1.941 3.983 ( -1.130 -2.470 -6.321) 6.880 4.069 ( 4.842 5.540 4.116) 8.431 4.083 ( 0.393 3.877 3.774) 5.425 4.168 ( 2.660 2.040 -4.561) 5.661 4.221 ( -0.685 1.611 -2.038) 2.687 4.269 ( 1.979 1.817 3.066) 4.077 4.373 ( 1.212 -4.330 5.424) 7.046 4.435 ( 0.870 4.544 -7.010) 8.399 4.479 ( -3.519 4.389 -1.490) 5.820 4.506 ( -2.846 1.289 -5.945) 6.716 4.559 ( -0.157 7.847 1.757) 8.043 4.657 ( 0.702 -3.288 3.934) 5.175 4.677 ( 1.196 -4.865 -2.841) 5.759 4.885 ( 2.231 0.305 3.371) 4.054 4.918 ( 5.456 -2.073 1.233) 5.966 4.997 ( -0.928 0.011 -1.649) 1.892 5.041 ( -3.310 -3.948 -3.922) 6.475 5.101 ( 1.838 5.564 -0.789) 5.912 5.189 ( 1.109 -3.235 0.644) 3.480 5.262 ( -3.071 1.093 -0.125) 3.262 5.295 ( -0.951 1.124 1.192) 1.894 5.322 ( 0.733 1.988 0.128) 2.123 5.371 ( 1.209 7.223 2.936) 7.890 5.491 ( 0.383 -6.396 1.016) 6.487 5.550 ( 0.617 -3.602 1.022) 3.795 5.627 ( -2.478 2.138 3.902) 5.093 5.672 ( -0.312 0.309 1.692) 1.748 5.737 ( -3.664 0.194 0.117) 3.671 5.790 ( -2.791 -3.501 0.665) 4.526 5.858 ( -4.106 4.538 -0.398) 6.133 5.975 ( -1.241 -4.921 1.008) 5.174 6.020 ( 1.585 0.513 2.786) 3.246 6.056 ( 0.777 -0.921 2.599) 2.865 6.227 ( 4.695 4.740 -0.372) 6.682 6.246 ( -0.124 3.706 -0.072) 3.709 6.290 ( 1.931 1.037 2.065) 3.011 6.333 ( 1.908 -0.999 -1.355) 2.545 6.385 ( -0.243 3.223 -1.505) 3.565 6.450 ( -1.459 -0.884 -2.001) 2.630 6.489 ( -0.313 1.598 1.712) 2.363 6.530 ( 2.063 0.130 -1.367) 2.479 6.595 ( -0.865 -0.632 1.266) 1.659 6.675 ( 0.120 -4.385 -0.659) 4.436 6.770 ( 0.085 5.407 -4.122) 6.799 6.914 ( 1.390 -6.594 -5.285) 8.564 7.419 ( 1.413 2.544 0.068) 2.911 7.454 ( 2.069 -0.486 0.144) 2.130 7.483 ( -1.471 5.005 -0.714) 5.265 7.565 ( -0.635 -2.398 0.036) 2.481 7.733 ( 0.061 1.341 -0.654) 1.493 7.750 ( -1.067 0.054 0.397) 1.140 7.847 ( -1.050 0.263 -0.343) 1.135 7.889 ( -1.348 -3.374 -1.730) 4.024 8.792 ( 1.072 9.465 -2.556) 9.863 8.975 ( 2.078 -7.090 0.687) 7.420 9.698 ( -2.339 4.698 -1.610) 5.489 9.857 ( -3.071 -9.026 -5.704) 11.111 10.208 ( 2.945 5.298 1.032) 6.149 10.341 ( 7.777 -5.236 2.135) 9.616 12.771 ( 0.211 2.253 0.083) 2.264 12.830 ( 0.007 -2.846 -0.111) 2.849 12.882 ( 0.458 0.162 -0.141) 0.506 12.894 ( 0.501 -0.807 0.067) 0.952 13.036 ( -0.016 1.100 -0.646) 1.276 13.053 ( 0.116 -0.447 -0.405) 0.614 13.115 ( -0.427 1.649 -0.883) 1.919 13.142 ( 0.107 -0.739 -0.697) 1.021 13.513 ( -0.649 -0.108 0.971) 1.173 13.533 ( -0.251 -1.900 1.187) 2.254 13.663 ( 0.352 -0.135 0.350) 0.515 13.667 ( 0.164 -0.473 0.491) 0.701 13.814 ( -0.708 1.054 -0.374) 1.324 13.821 ( -0.652 0.258 -0.145) 0.716 13.863 ( -0.033 0.495 -0.394) 0.634 13.869 ( 1.165 -0.082 -0.643) 1.333 17.173 ( -0.601 0.025 2.044) 2.131 17.183 ( -0.965 -0.995 2.218) 2.615 17.378 ( -0.038 1.654 0.043) 1.655 17.421 ( -0.118 -2.042 -0.034) 2.046 17.698 ( 0.367 -0.401 -1.298) 1.407 17.702 ( 0.378 -0.595 -1.420) 1.585 17.743 ( 0.766 0.580 -0.307) 1.009 17.763 ( 0.452 -1.266 -0.456) 1.420 17.837 ( 0.776 1.430 -1.138) 1.986 17.860 ( 0.086 -0.347 -1.186) 1.239 17.907 ( -0.211 1.382 -0.660) 1.546 17.941 ( -0.873 -1.543 -0.368) 1.810 18.055 ( 0.575 1.065 0.363) 1.263 18.086 ( 0.724 -1.435 -0.804) 1.797 18.240 ( 0.042 2.912 2.683) 3.960 18.310 ( -0.644 -3.283 1.055) 3.509 18.324 ( 1.241 0.759 -0.119) 1.460 18.337 ( 1.410 -0.358 -0.653) 1.594 18.447 ( -2.984 0.945 3.493) 4.690 18.468 ( -2.156 -0.886 3.685) 4.360 18.612 ( 0.055 3.625 0.202) 3.631 18.678 ( -0.464 -2.059 0.357) 2.141 18.705 ( 0.067 2.189 -1.036) 2.423 18.740 ( -0.172 -1.027 -1.015) 1.454 28.532 ( -0.117 0.430 -0.171) 0.477 28.544 ( -0.070 -0.634 -0.234) 0.679 28.608 ( 0.021 0.943 -0.393) 1.022 28.626 ( 0.012 -0.632 -0.602) 0.873 28.874 ( -0.044 0.745 0.177) 0.767 28.895 ( 0.005 -1.177 -0.095) 1.181 28.943 ( 0.024 0.706 0.286) 0.762 28.958 ( 0.170 -0.609 0.168) 0.654 31.062 ( -2.224 4.980 -1.765) 5.733 31.118 ( -0.161 0.147 -1.839) 1.852 31.434 ( -1.571 4.143 -0.759) 4.495 31.540 ( -1.501 -1.919 -3.846) 4.553 31.681 ( 0.422 -1.529 1.052) 1.903 31.713 ( -0.513 -7.014 4.844) 8.540 32.065 ( 4.083 5.281 -2.474) 7.119 32.172 ( 2.557 -4.818 0.481) 5.475 32.548 ( -1.017 7.326 1.975) 7.656 32.726 ( 1.613 -7.247 -0.665) 7.454 32.824 ( 0.738 4.917 0.858) 5.046 32.936 ( -0.979 -3.935 0.787) 4.131 33.115 ( -3.282 11.103 -4.230) 12.327 33.287 ( -2.494 1.919 -3.473) 4.687 33.364 ( -1.490 -5.105 -0.378) 5.331 33.429 ( 2.956 -5.401 0.393) 6.170 33.511 ( 1.969 3.613 5.145) 6.588 33.632 ( 1.800 -5.451 4.426) 7.249 34.104 ( -2.564 3.092 -1.336) 4.233 34.194 ( -3.636 -4.645 1.739) 6.150 34.624 ( -5.048 3.045 -0.159) 5.897 34.678 ( -0.821 -1.637 2.791) 3.339 34.734 ( 3.450 0.209 -1.351) 3.711 34.744 ( 6.829 -0.643 -1.579) 7.039 ======================= Grid point 51 (29/66) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -10.893 13.767 1.458) 17.616 1.381 ( 0.996 7.542 0.005) 7.607 1.553 ( -1.144 3.324 0.381) 3.536 1.692 ( -12.063 -5.581 1.576) 13.385 1.822 ( -19.842 4.168 -0.358) 20.279 1.844 ( 0.254 4.657 4.348) 6.376 1.940 ( -9.298 -7.689 1.949) 12.222 2.081 ( -0.064 -5.966 3.348) 6.841 2.248 ( 0.637 -4.993 -0.750) 5.089 2.308 ( -5.077 -0.440 3.020) 5.924 2.384 ( -0.526 -1.151 -0.307) 1.302 2.393 ( 2.741 -7.887 0.963) 8.405 2.648 ( 0.717 1.200 -2.639) 2.986 2.687 ( -3.085 -0.000 -0.927) 3.221 2.756 ( -3.111 -4.164 7.181) 8.865 2.831 ( 0.247 -4.847 -2.851) 5.628 2.917 ( -0.405 2.852 2.367) 3.729 2.998 ( 2.173 -3.472 2.961) 5.054 3.058 ( 4.171 1.040 -3.461) 5.519 3.155 ( -1.267 -1.023 2.218) 2.752 3.193 ( 4.725 -1.102 -0.534) 4.881 3.223 ( -1.737 -1.907 2.866) 3.856 3.324 ( 2.228 -4.770 2.979) 6.049 3.370 ( -4.339 -1.976 -4.279) 6.406 3.511 ( -0.852 3.027 4.702) 5.657 3.615 ( 4.632 -3.260 4.490) 7.228 3.659 ( 3.492 1.819 2.179) 4.500 3.738 ( -3.070 -0.298 -1.990) 3.671 3.757 ( -2.358 -0.398 -1.527) 2.837 3.786 ( 0.615 -1.161 -0.903) 1.594 3.906 ( 0.956 0.712 -5.466) 5.594 3.931 ( 0.513 -2.429 -5.525) 6.057 4.070 ( -0.601 3.179 -3.571) 4.818 4.120 ( -0.921 -3.105 4.629) 5.649 4.176 ( -0.857 5.349 -6.777) 8.676 4.222 ( -0.131 0.948 -0.643) 1.153 4.307 ( 0.014 1.880 -3.055) 3.587 4.368 ( 0.944 -1.690 -0.082) 1.937 4.399 ( -2.300 6.048 -1.109) 6.565 4.469 ( 3.145 6.589 0.631) 7.328 4.532 ( 3.921 5.229 1.370) 6.678 4.579 ( 3.466 -1.907 1.166) 4.124 4.628 ( -3.570 -7.067 3.006) 8.469 4.732 ( 1.991 -6.159 -0.833) 6.526 4.889 ( -1.337 3.387 -0.957) 3.765 4.946 ( -1.307 -4.039 -1.645) 4.553 4.958 ( -1.799 1.278 -0.010) 2.207 5.019 ( -0.186 -1.553 -3.458) 3.796 5.135 ( 2.700 6.298 4.867) 8.405 5.239 ( 1.263 0.745 0.610) 1.588 5.256 ( 5.105 -1.689 0.989) 5.467 5.275 ( -1.882 -0.210 2.223) 2.920 5.323 ( -1.173 5.487 0.960) 5.693 5.436 ( 2.594 8.401 4.930) 10.080 5.493 ( -0.975 -4.779 -1.124) 5.005 5.563 ( -2.337 1.604 3.451) 4.466 5.606 ( -0.866 -2.497 -0.054) 2.643 5.673 ( -0.801 -0.204 0.517) 0.975 5.687 ( -3.231 -2.222 3.418) 5.202 5.751 ( -2.732 -5.146 2.983) 6.545 5.825 ( 1.272 6.861 -1.877) 7.226 5.990 ( 2.151 -6.899 -0.952) 7.289 6.081 ( 3.458 0.476 2.021) 4.034 6.093 ( 1.213 -1.237 4.268) 4.607 6.214 ( -2.833 4.502 -0.624) 5.355 6.261 ( -1.363 0.306 -2.799) 3.129 6.326 ( 1.048 3.427 -2.718) 4.498 6.370 ( 2.967 -0.198 3.177) 4.351 6.382 ( -0.016 0.853 -2.804) 2.931 6.422 ( 0.441 -2.072 -2.124) 3.000 6.463 ( -2.306 1.584 0.054) 2.798 6.518 ( -1.364 -1.141 -1.338) 2.226 6.630 ( 3.443 2.109 2.508) 4.753 6.685 ( 1.026 -2.419 -1.302) 2.932 6.758 ( 1.349 4.126 -0.007) 4.341 6.871 ( -1.280 -4.983 -4.924) 7.121 7.452 ( 1.293 2.679 0.937) 3.119 7.475 ( 1.723 4.433 -1.348) 4.943 7.489 ( 0.861 -0.835 0.656) 1.367 7.564 ( 1.911 -2.612 -1.331) 3.499 7.705 ( -1.625 2.301 -0.427) 2.849 7.744 ( -1.208 -0.929 0.722) 1.686 7.805 ( -2.185 1.195 -1.090) 2.718 7.866 ( -0.051 -4.162 -2.449) 4.829 8.798 ( 1.785 10.454 -2.520) 10.901 9.019 ( 1.564 -9.533 1.548) 9.784 9.654 ( -1.149 2.623 -0.917) 3.007 9.751 ( -3.532 -6.675 -5.272) 9.210 10.291 ( 4.572 9.930 1.419) 11.024 10.506 ( 9.397 -8.353 -0.220) 12.575 12.786 ( 1.200 1.850 0.257) 2.220 12.835 ( 0.709 -2.368 -0.409) 2.505 12.887 ( 0.291 0.373 -0.330) 0.577 12.903 ( 0.566 -1.055 -0.143) 1.206 13.029 ( -0.221 1.400 -0.436) 1.483 13.048 ( -0.371 0.008 -0.854) 0.932 13.091 ( -1.374 0.695 -0.330) 1.575 13.122 ( -1.632 -1.490 -1.235) 2.531 13.520 ( 0.770 0.673 0.947) 1.394 13.553 ( 1.354 -2.243 1.147) 2.860 13.675 ( 0.705 0.236 0.619) 0.968 13.683 ( 0.943 -0.465 0.639) 1.230 13.781 ( -1.942 1.076 -0.543) 2.285 13.795 ( -1.825 -0.204 -0.460) 1.893 13.880 ( 2.012 1.606 -0.357) 2.599 13.904 ( 2.673 -0.654 -0.445) 2.788 17.179 ( -0.531 -0.063 2.168) 2.233 17.186 ( -0.647 -0.721 2.345) 2.538 17.382 ( 0.404 1.532 0.024) 1.584 17.420 ( 0.134 -1.852 -0.167) 1.864 17.699 ( 1.021 0.041 -0.580) 1.175 17.712 ( 1.849 -1.094 -0.921) 2.337 17.755 ( 0.873 0.357 -0.892) 1.298 17.767 ( 0.555 -0.697 -0.963) 1.312 17.851 ( 1.941 0.657 -1.517) 2.550 17.858 ( 0.624 0.317 -0.826) 1.083 17.900 ( -0.215 0.478 -1.444) 1.536 17.917 ( -1.158 -1.070 -2.250) 2.748 18.068 ( 0.531 1.092 0.668) 1.386 18.090 ( 0.394 -0.618 -0.800) 1.085 18.258 ( -0.445 1.486 2.455) 2.904 18.288 ( -1.854 -1.094 1.533) 2.643 18.348 ( 1.398 1.248 -0.404) 1.917 18.370 ( 2.177 -1.477 -0.168) 2.636 18.419 ( -3.575 1.065 4.816) 6.092 18.450 ( -3.675 -1.867 5.131) 6.582 18.612 ( -0.508 3.194 0.147) 3.238 18.655 ( -1.654 0.127 -0.719) 1.808 18.697 ( -0.602 0.571 -0.606) 1.028 18.722 ( -0.647 -1.246 -0.695) 1.566 28.532 ( 0.301 0.379 -0.194) 0.522 28.543 ( 0.203 -0.602 -0.254) 0.684 28.602 ( -0.385 0.763 -0.417) 0.951 28.616 ( -0.570 -0.533 -0.657) 1.020 28.876 ( 0.149 0.771 0.161) 0.801 28.899 ( 0.448 -1.221 -0.092) 1.303 28.945 ( -0.061 0.762 0.319) 0.829 28.960 ( -0.134 -0.553 0.253) 0.622 31.010 ( -1.972 5.361 -1.698) 5.960 31.089 ( -1.387 -0.966 -2.542) 3.053 31.376 ( -3.595 2.004 -1.625) 4.425 31.445 ( -6.185 -2.842 -3.399) 7.609 31.659 ( -3.501 0.625 2.015) 4.088 31.715 ( -2.297 -4.057 3.243) 5.679 32.119 ( 3.551 5.214 -2.627) 6.834 32.220 ( 1.556 -4.236 1.494) 4.754 32.551 ( -0.881 8.148 3.248) 8.815 32.750 ( 0.314 -8.776 1.796) 8.963 32.812 ( -3.142 3.956 1.086) 5.167 32.909 ( -2.570 -4.318 -0.200) 5.029 33.018 ( -1.930 7.595 -4.655) 9.114 33.174 ( -4.893 -5.036 -6.724) 9.722 33.354 ( -0.230 1.888 1.168) 2.232 33.483 ( 1.165 -8.200 2.548) 8.665 33.613 ( 3.452 3.865 6.010) 7.936 33.652 ( -1.292 0.997 1.948) 2.542 34.103 ( 2.397 2.032 -0.685) 3.216 34.185 ( 2.039 -5.135 0.387) 5.539 34.524 ( -4.141 4.281 -1.136) 6.063 34.607 ( -4.711 -2.910 0.692) 5.580 34.903 ( 12.043 1.241 0.817) 12.135 34.920 ( 11.762 -0.548 -0.673) 11.794 ======================= Grid point 52 (30/66) ======================= q-point: (-0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -4.872 19.949 3.890) 20.901 1.324 ( -25.513 9.496 2.978) 27.385 1.394 ( -11.907 0.488 1.337) 11.992 1.493 ( -2.037 -10.089 6.355) 12.096 1.586 ( 1.647 8.473 6.366) 10.725 1.826 ( -5.830 -8.958 2.890) 11.072 1.918 ( -2.496 4.207 8.350) 9.677 2.122 ( 0.439 -4.529 4.501) 6.400 2.230 ( -2.971 -3.910 0.728) 4.965 2.323 ( 4.167 4.558 2.220) 6.562 2.371 ( 1.200 -3.331 -1.970) 4.052 2.517 ( 7.589 -13.631 1.679) 15.692 2.563 ( -3.196 5.732 -5.993) 8.888 2.675 ( 0.854 -2.311 1.080) 2.691 2.755 ( -2.058 -1.160 3.977) 4.626 2.800 ( -1.457 -0.761 -1.775) 2.419 2.928 ( -4.559 -1.575 0.617) 4.863 3.037 ( -0.690 0.731 -2.732) 2.911 3.065 ( -1.897 -4.113 3.860) 5.951 3.103 ( 1.687 -3.566 0.504) 3.977 3.199 ( 0.298 1.099 3.251) 3.444 3.305 ( 0.847 -1.944 2.765) 3.484 3.330 ( 1.262 0.382 1.170) 1.763 3.426 ( 3.436 -9.086 5.872) 11.351 3.512 ( 0.171 5.021 -1.637) 5.284 3.612 ( -3.132 -3.015 -3.872) 5.822 3.692 ( -0.109 1.046 -3.430) 3.588 3.727 ( 1.813 0.427 -2.212) 2.892 3.767 ( 3.827 -0.635 -4.752) 6.134 3.799 ( 2.199 -1.679 -6.821) 7.361 3.896 ( 3.439 0.557 4.201) 5.457 3.919 ( 3.801 -1.608 0.263) 4.136 4.060 ( -4.871 4.311 -4.751) 8.055 4.081 ( 0.878 3.119 -3.384) 4.685 4.120 ( -5.719 -1.380 -3.277) 6.734 4.164 ( -1.516 -2.512 -1.107) 3.135 4.219 ( -2.141 5.096 -4.374) 7.049 4.378 ( -0.819 -6.778 -0.668) 6.860 4.408 ( -0.350 4.369 6.319) 7.690 4.514 ( 1.361 3.470 1.122) 3.892 4.540 ( -2.976 -4.097 2.599) 5.691 4.621 ( -1.361 -0.151 -0.720) 1.547 4.665 ( 4.023 3.219 2.172) 5.591 4.751 ( 3.150 -5.092 0.423) 6.003 4.878 ( 1.095 2.285 -2.455) 3.529 4.910 ( -1.950 0.644 -1.267) 2.413 4.926 ( -3.674 1.048 3.517) 5.193 4.983 ( -0.034 -3.083 -0.624) 3.146 5.206 ( 0.205 7.162 1.871) 7.405 5.251 ( -1.007 3.352 1.111) 3.672 5.282 ( -2.479 7.268 1.550) 7.834 5.318 ( 4.334 0.624 0.357) 4.393 5.377 ( 4.769 -0.069 0.442) 4.790 5.443 ( -0.014 2.482 -2.435) 3.477 5.488 ( -1.236 1.276 2.615) 3.161 5.551 ( -1.540 2.246 4.048) 4.879 5.578 ( -1.222 -6.165 -1.993) 6.593 5.669 ( 0.504 3.982 1.109) 4.164 5.686 ( -1.107 -6.511 5.099) 8.344 5.765 ( 0.516 -5.626 6.254) 8.428 5.845 ( 0.334 6.401 1.250) 6.531 5.984 ( -3.195 -4.201 -1.040) 5.380 6.105 ( -0.578 1.703 -3.732) 4.143 6.127 ( -0.319 -0.264 -2.807) 2.837 6.207 ( -0.659 0.096 -2.213) 2.311 6.216 ( 2.794 0.780 1.648) 3.337 6.282 ( -0.696 2.967 -1.500) 3.397 6.344 ( -3.232 -2.659 -1.742) 4.533 6.378 ( 0.340 -1.321 -2.054) 2.466 6.435 ( 2.807 -5.018 -0.588) 5.780 6.484 ( 1.009 2.973 3.486) 4.691 6.533 ( 1.783 1.307 0.919) 2.394 6.673 ( 1.676 2.722 -2.214) 3.888 6.717 ( 2.137 0.436 1.558) 2.680 6.788 ( -0.033 -0.186 1.083) 1.100 6.816 ( -0.463 -2.590 -3.882) 4.689 7.473 ( 0.539 3.151 0.867) 3.312 7.484 ( -1.123 0.672 -0.617) 1.447 7.503 ( 2.750 1.407 -2.655) 4.073 7.611 ( 3.013 -4.884 -0.577) 5.768 7.695 ( 0.906 3.010 0.994) 3.297 7.710 ( -1.752 1.581 -1.663) 2.887 7.788 ( -0.090 0.285 1.237) 1.273 7.844 ( -0.657 -3.888 -1.078) 4.088 8.811 ( 2.324 9.112 -3.749) 10.124 9.022 ( -2.554 -10.847 -0.058) 11.143 9.654 ( 0.492 0.821 1.967) 2.187 9.689 ( -0.402 -2.561 -0.488) 2.638 10.353 ( 2.583 12.498 -2.538) 13.012 10.620 ( 6.255 -10.463 -7.110) 14.112 12.809 ( 1.075 1.390 0.101) 1.760 12.844 ( 0.810 -1.519 -1.025) 2.004 12.889 ( 0.412 0.589 -0.821) 1.092 12.911 ( 0.410 -1.423 -0.159) 1.490 13.023 ( -0.176 1.254 -0.306) 1.303 13.030 ( -0.444 1.495 -0.457) 1.625 13.071 ( -1.638 -1.385 -0.222) 2.156 13.081 ( -1.100 -1.644 -0.390) 2.016 13.546 ( 1.079 1.102 0.794) 1.735 13.584 ( 1.009 -2.407 0.781) 2.724 13.691 ( 0.488 0.583 0.303) 0.818 13.701 ( 0.462 -0.323 0.506) 0.758 13.751 ( -0.946 1.037 -0.112) 1.408 13.767 ( -0.909 -0.354 -0.155) 0.988 13.912 ( 1.808 2.129 -0.395) 2.821 13.944 ( 2.264 -0.832 -0.801) 2.542 17.185 ( -0.756 0.047 2.118) 2.249 17.195 ( -0.608 -0.899 2.590) 2.808 17.391 ( 0.564 1.280 0.044) 1.400 17.423 ( 0.306 -1.547 -0.162) 1.585 17.730 ( 2.599 0.369 -0.396) 2.655 17.746 ( 1.885 -0.670 -1.544) 2.527 17.757 ( 1.034 -0.112 -1.151) 1.551 17.773 ( 1.372 -0.665 -1.099) 1.879 17.860 ( 0.306 0.647 -2.530) 2.629 17.865 ( -2.097 -0.101 -0.863) 2.269 17.878 ( 2.034 -0.005 -1.134) 2.329 17.884 ( 0.025 -0.571 -1.545) 1.647 18.079 ( 0.373 0.915 -0.282) 1.028 18.084 ( -0.220 0.448 -1.187) 1.288 18.255 ( -1.425 0.713 1.211) 2.001 18.276 ( -0.787 -1.114 1.016) 1.700 18.361 ( -0.508 1.287 0.417) 1.445 18.384 ( -1.341 -0.483 2.523) 2.898 18.419 ( -1.201 -0.328 4.550) 4.717 18.429 ( -2.560 -1.598 5.784) 6.524 18.591 ( -1.356 2.434 -0.425) 2.818 18.624 ( -1.470 -0.425 -0.480) 1.603 18.682 ( -0.256 1.697 -0.208) 1.729 18.716 ( 0.106 -1.308 -0.244) 1.334 28.539 ( 0.522 0.258 -0.043) 0.584 28.547 ( 0.342 -0.468 -0.071) 0.584 28.592 ( -0.296 0.488 -0.313) 0.651 28.600 ( -0.656 -0.255 -0.503) 0.865 28.880 ( 0.168 0.952 0.142) 0.978 28.907 ( 0.558 -1.437 -0.097) 1.545 28.946 ( -0.083 0.625 0.139) 0.646 28.957 ( -0.427 -0.375 0.143) 0.586 30.984 ( -0.143 4.731 0.088) 4.734 31.041 ( -1.870 -0.175 -1.031) 2.142 31.293 ( -4.881 1.417 -1.284) 5.242 31.342 ( -1.819 -2.516 -0.768) 3.198 31.612 ( -3.638 2.604 1.945) 4.879 31.691 ( -2.811 -3.748 2.503) 5.311 32.126 ( 0.668 6.195 -5.275) 8.164 32.226 ( -1.640 -3.085 -0.222) 3.500 32.562 ( -1.771 7.522 5.186) 9.307 32.742 ( -3.741 -4.743 2.228) 6.439 32.750 ( -2.942 1.500 0.963) 3.440 32.880 ( 1.580 -6.755 -3.036) 7.573 33.003 ( 1.743 2.080 -1.379) 3.044 33.075 ( -0.891 -3.816 -4.071) 5.651 33.360 ( -0.258 3.564 1.489) 3.871 33.484 ( -4.004 -6.715 4.518) 9.030 33.648 ( 1.094 2.508 -2.421) 3.654 33.682 ( 0.622 -0.020 1.697) 1.807 34.148 ( 2.327 4.176 1.681) 5.067 34.255 ( 3.430 -5.042 3.549) 7.056 34.477 ( -0.680 3.442 -0.918) 3.627 34.547 ( -2.720 -2.629 0.479) 3.813 35.086 ( 8.100 0.508 -2.546) 8.506 35.100 ( 9.697 -0.589 -2.054) 9.930 ======================= Grid point 65 (31/66) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.497 0.000 21.458) 21.464 1.118 ( 3.235 0.000 25.725) 25.928 1.412 ( -5.401 0.000 7.609) 9.331 1.604 ( 5.336 0.000 24.118) 24.701 2.028 ( -4.867 0.000 4.249) 6.461 2.109 ( -2.081 0.000 14.409) 14.558 2.153 ( 2.014 0.000 -6.426) 6.735 2.187 ( 1.448 0.000 1.254) 1.915 2.195 ( 1.928 0.000 0.854) 2.109 2.383 ( -2.397 0.000 -9.863) 10.150 2.480 ( 10.843 0.000 -6.676) 12.733 2.636 ( 0.599 0.000 -0.869) 1.055 2.652 ( 2.952 0.000 6.119) 6.794 2.761 ( -5.496 0.000 -0.390) 5.510 2.769 ( -2.794 0.000 -5.656) 6.309 2.862 ( -4.822 0.000 -2.665) 5.510 3.083 ( 1.190 0.000 3.176) 3.392 3.101 ( -4.586 0.000 3.434) 5.729 3.166 ( -5.557 0.000 -0.268) 5.563 3.187 ( -5.564 0.000 2.643) 6.159 3.243 ( -2.694 0.000 -4.879) 5.573 3.255 ( 5.644 0.000 1.949) 5.971 3.374 ( -6.914 0.000 1.817) 7.148 3.455 ( -6.839 0.000 1.976) 7.119 3.567 ( 2.048 0.000 2.694) 3.384 3.575 ( 1.740 0.000 -2.695) 3.208 3.627 ( 5.278 0.000 -4.925) 7.219 3.749 ( -1.538 0.000 1.231) 1.970 3.814 ( 5.129 0.000 0.422) 5.146 3.843 ( 6.262 0.000 -5.747) 8.500 3.893 ( -3.183 0.000 0.744) 3.268 3.900 ( 4.981 0.000 -6.443) 8.144 4.000 ( 3.078 0.000 0.836) 3.189 4.158 ( 3.415 0.000 -1.463) 3.715 4.170 ( 2.552 0.000 -5.837) 6.371 4.243 ( 7.310 0.000 3.493) 8.101 4.251 ( -1.204 0.000 -1.745) 2.120 4.336 ( 6.388 0.000 5.610) 8.502 4.372 ( 1.726 0.000 -1.262) 2.138 4.376 ( 2.786 0.000 -5.312) 5.999 4.539 ( -1.909 0.000 -6.514) 6.788 4.624 ( -6.076 0.000 2.980) 6.767 4.668 ( -8.834 0.000 -1.573) 8.973 4.735 ( -6.193 0.000 4.805) 7.838 4.756 ( 0.110 0.000 2.570) 2.572 4.855 ( -3.304 0.000 2.433) 4.103 4.951 ( 3.051 0.000 6.560) 7.234 4.952 ( 1.247 0.000 -1.988) 2.347 5.053 ( -4.948 0.000 -4.820) 6.908 5.145 ( -1.719 0.000 0.113) 1.722 5.169 ( 2.345 0.000 7.108) 7.485 5.335 ( 3.510 0.000 0.518) 3.548 5.381 ( -2.667 0.000 -1.643) 3.133 5.413 ( -3.100 0.000 2.103) 3.746 5.465 ( 1.573 0.000 3.610) 3.938 5.531 ( 3.448 0.000 -4.186) 5.423 5.565 ( -2.552 0.000 -3.715) 4.507 5.685 ( 0.229 0.000 -0.565) 0.610 5.740 ( 2.501 0.000 -4.866) 5.471 5.799 ( -0.811 0.000 5.637) 5.695 5.851 ( 0.007 0.000 -5.581) 5.581 5.899 ( -0.441 0.000 -0.215) 0.491 5.959 ( -1.638 0.000 -1.677) 2.344 6.087 ( 0.323 0.000 2.625) 2.644 6.087 ( -1.143 0.000 0.270) 1.174 6.230 ( 1.829 0.000 -6.206) 6.470 6.285 ( -1.780 0.000 -1.725) 2.479 6.328 ( 2.419 0.000 3.151) 3.972 6.429 ( -4.068 0.000 -2.489) 4.769 6.503 ( -0.470 0.000 -0.605) 0.766 6.541 ( -1.411 0.000 -0.066) 1.413 6.583 ( -1.458 0.000 0.594) 1.574 6.647 ( -1.303 0.000 1.536) 2.014 6.734 ( 6.237 0.000 -6.005) 8.658 6.863 ( 0.377 0.000 3.861) 3.879 6.971 ( -3.416 0.000 -1.489) 3.726 7.280 ( -1.910 0.000 4.042) 4.470 7.424 ( 6.417 0.000 -1.389) 6.566 7.496 ( -2.986 0.000 0.987) 3.145 7.550 ( -4.923 0.000 -1.419) 5.123 7.560 ( 2.443 0.000 2.691) 3.635 7.778 ( 1.569 0.000 1.313) 2.046 7.786 ( 1.276 0.000 -1.460) 1.939 7.895 ( 4.876 0.000 -4.918) 6.925 8.499 ( -3.550 0.000 7.167) 7.998 9.114 ( -4.831 0.000 -9.634) 10.777 9.763 ( -0.517 0.000 6.948) 6.968 9.980 ( -4.843 0.000 -0.388) 4.859 10.167 ( 0.459 0.000 -3.814) 3.841 10.210 ( 15.938 0.000 -6.463) 17.198 12.794 ( -1.657 0.000 0.028) 1.657 12.834 ( 1.795 0.000 -1.610) 2.411 12.932 ( 0.996 0.000 1.226) 1.580 12.948 ( -0.173 0.000 0.030) 0.176 12.983 ( -0.806 0.000 2.080) 2.231 13.051 ( -1.529 0.000 -0.375) 1.574 13.093 ( 3.201 0.000 0.091) 3.202 13.115 ( -0.750 0.000 -0.820) 1.111 13.574 ( -0.418 0.000 1.736) 1.785 13.662 ( -1.401 0.000 0.330) 1.440 13.664 ( 0.021 0.000 -0.820) 0.820 13.729 ( 1.239 0.000 -0.971) 1.574 13.740 ( -0.685 0.000 1.287) 1.458 13.783 ( 0.597 0.000 -0.324) 0.679 13.803 ( 0.272 0.000 1.108) 1.141 13.913 ( -0.046 0.000 -2.247) 2.247 17.226 ( -1.674 0.000 2.475) 2.988 17.342 ( 0.338 0.000 -0.882) 0.944 17.386 ( -1.510 0.000 1.544) 2.160 17.459 ( 1.066 0.000 -0.511) 1.182 17.698 ( 0.297 0.000 0.423) 0.517 17.730 ( 0.493 0.000 -0.386) 0.626 17.767 ( -0.148 0.000 -0.188) 0.239 17.793 ( -0.639 0.000 -1.267) 1.419 17.842 ( -1.243 0.000 0.819) 1.489 17.878 ( 5.037 0.000 -0.204) 5.041 17.902 ( -2.989 0.000 -0.832) 3.103 17.923 ( 2.721 0.000 -2.020) 3.389 18.052 ( 0.986 0.000 0.883) 1.323 18.055 ( -0.510 0.000 0.784) 0.936 18.233 ( 0.835 0.000 0.731) 1.109 18.294 ( -2.280 0.000 -0.896) 2.450 18.367 ( -0.645 0.000 3.473) 3.532 18.400 ( -4.080 0.000 2.459) 4.764 18.456 ( -1.347 0.000 1.564) 2.064 18.460 ( 2.544 0.000 -0.626) 2.619 18.554 ( -2.437 0.000 -1.798) 3.029 18.592 ( 3.068 0.000 -1.288) 3.327 18.649 ( -4.346 0.000 0.518) 4.377 18.700 ( 0.959 0.000 -1.267) 1.589 28.547 ( 0.202 0.000 0.190) 0.277 28.563 ( -0.006 0.000 -0.365) 0.365 28.570 ( -0.294 0.000 0.316) 0.431 28.591 ( 0.915 0.000 -0.201) 0.937 28.873 ( -0.608 0.000 0.789) 0.996 28.926 ( 0.646 0.000 -0.632) 0.903 28.945 ( 0.015 0.000 -0.062) 0.064 28.949 ( -0.156 0.000 -0.263) 0.306 30.909 ( 0.266 0.000 4.087) 4.096 30.979 ( 0.085 0.000 1.007) 1.010 31.288 ( 10.400 0.000 3.397) 10.941 31.455 ( -1.329 0.000 1.251) 1.825 31.513 ( -1.218 0.000 -1.454) 1.896 31.555 ( 2.132 0.000 -4.429) 4.916 31.846 ( 1.899 0.000 6.024) 6.316 32.230 ( -1.745 0.000 -1.457) 2.274 32.459 ( -0.994 0.000 1.462) 1.767 32.633 ( 1.948 0.000 -4.415) 4.825 32.774 ( -9.014 0.000 -0.604) 9.035 32.957 ( -2.952 0.000 -8.074) 8.597 33.031 ( 2.952 0.000 -3.338) 4.456 33.124 ( 5.323 0.000 -7.353) 9.077 33.398 ( 2.700 0.000 2.930) 3.984 33.487 ( 6.011 0.000 4.340) 7.414 33.686 ( -9.117 0.000 2.880) 9.561 33.832 ( -0.508 0.000 -9.062) 9.076 34.189 ( -3.331 0.000 13.422) 13.829 34.493 ( -2.204 0.000 5.824) 6.227 34.509 ( 3.898 0.000 2.794) 4.796 34.666 ( 3.492 0.000 3.071) 4.650 35.025 ( -0.621 0.000 -6.236) 6.267 35.058 ( -8.017 0.000 -4.016) 8.967 ======================= Grid point 66 (32/66) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 10.189 0.000 17.560) 20.302 1.381 ( 9.577 0.000 14.633) 17.489 1.535 ( 10.261 0.000 11.880) 15.698 1.865 ( 8.222 0.000 9.828) 12.814 1.912 ( -9.963 0.000 -1.321) 10.050 1.988 ( -13.569 0.000 2.095) 13.730 2.215 ( -3.753 0.000 -1.854) 4.186 2.251 ( 6.937 0.000 -5.076) 8.596 2.254 ( 2.857 0.000 11.329) 11.683 2.292 ( -0.215 0.000 -6.444) 6.448 2.489 ( -8.222 0.000 -0.895) 8.270 2.615 ( 7.888 0.000 -3.512) 8.635 2.661 ( -1.256 0.000 -3.390) 3.616 2.714 ( 1.244 0.000 1.427) 1.893 2.785 ( 0.565 0.000 4.708) 4.741 2.836 ( -0.713 0.000 3.541) 3.612 3.012 ( -6.214 0.000 -2.117) 6.564 3.101 ( -5.824 0.000 -2.094) 6.189 3.116 ( -0.570 0.000 4.374) 4.411 3.144 ( 3.311 0.000 1.799) 3.768 3.159 ( -2.477 0.000 5.404) 5.944 3.340 ( 0.424 0.000 3.425) 3.451 3.388 ( 1.991 0.000 4.123) 4.578 3.398 ( 0.681 0.000 -1.639) 1.775 3.522 ( -3.294 0.000 -1.285) 3.536 3.596 ( 1.140 0.000 -1.562) 1.934 3.684 ( 2.133 0.000 3.545) 4.137 3.788 ( -3.339 0.000 -1.260) 3.569 3.812 ( 6.321 0.000 -7.085) 9.495 3.841 ( 2.398 0.000 -0.936) 2.574 3.875 ( -0.518 0.000 -4.021) 4.054 4.023 ( 8.221 0.000 1.935) 8.446 4.051 ( 2.212 0.000 -0.243) 2.225 4.133 ( -6.575 0.000 -8.622) 10.843 4.152 ( 1.984 0.000 -6.116) 6.430 4.206 ( -1.009 0.000 -3.958) 4.085 4.319 ( 4.530 0.000 -9.397) 10.432 4.339 ( -4.296 0.000 -0.634) 4.343 4.402 ( 3.351 0.000 -1.319) 3.602 4.419 ( -6.812 0.000 -2.613) 7.296 4.529 ( 3.649 0.000 3.824) 5.286 4.551 ( 1.402 0.000 2.435) 2.809 4.577 ( -8.795 0.000 0.736) 8.826 4.583 ( -1.757 0.000 4.761) 5.075 4.827 ( -7.082 0.000 3.387) 7.850 4.854 ( 2.868 0.000 1.965) 3.476 4.933 ( -0.550 0.000 0.365) 0.660 4.951 ( -1.790 0.000 -2.435) 3.022 5.082 ( 6.082 0.000 6.061) 8.586 5.134 ( 2.677 0.000 3.586) 4.475 5.254 ( -0.632 0.000 2.576) 2.652 5.326 ( -1.243 0.000 0.087) 1.246 5.347 ( -1.386 0.000 2.211) 2.610 5.382 ( -1.998 0.000 -0.582) 2.081 5.506 ( 3.457 0.000 0.360) 3.476 5.523 ( 0.096 0.000 -0.024) 0.099 5.602 ( 3.472 0.000 -1.069) 3.633 5.659 ( -2.136 0.000 -2.767) 3.495 5.723 ( -0.243 0.000 -3.356) 3.365 5.752 ( -0.801 0.000 -3.340) 3.435 5.881 ( 1.990 0.000 2.005) 2.825 5.937 ( 4.683 0.000 0.245) 4.689 5.990 ( 2.081 0.000 5.519) 5.898 6.050 ( -2.732 0.000 -2.934) 4.008 6.108 ( -1.602 0.000 5.184) 5.426 6.184 ( -0.797 0.000 -6.728) 6.775 6.230 ( -2.709 0.000 -2.595) 3.751 6.358 ( -2.192 0.000 0.743) 2.315 6.367 ( -0.911 0.000 2.103) 2.292 6.462 ( -1.135 0.000 -5.330) 5.450 6.532 ( -0.580 0.000 2.140) 2.217 6.541 ( -3.262 0.000 0.869) 3.376 6.628 ( -1.496 0.000 0.336) 1.533 6.791 ( 4.677 0.000 -4.145) 6.250 6.883 ( -1.195 0.000 2.703) 2.955 6.897 ( -2.966 0.000 -1.453) 3.303 7.265 ( -1.686 0.000 1.843) 2.498 7.417 ( -4.314 0.000 0.704) 4.371 7.472 ( -2.776 0.000 -0.488) 2.819 7.570 ( 7.546 0.000 -0.528) 7.565 7.631 ( 1.917 0.000 3.997) 4.433 7.783 ( -0.529 0.000 -1.125) 1.243 7.818 ( 2.303 0.000 0.487) 2.354 7.933 ( 5.680 0.000 -9.590) 11.146 8.501 ( -2.595 0.000 7.628) 8.057 9.070 ( 3.607 0.000 -4.401) 5.690 9.763 ( -4.748 0.000 4.915) 6.834 9.919 ( -2.690 0.000 1.415) 3.039 10.165 ( 2.345 0.000 -3.322) 4.067 10.308 ( 5.642 0.000 -12.412) 13.635 12.759 ( -2.036 0.000 0.012) 2.036 12.853 ( 1.500 0.000 -1.098) 1.859 12.940 ( -0.563 0.000 -0.457) 0.725 12.951 ( -0.279 0.000 1.746) 1.768 12.985 ( -0.485 0.000 1.498) 1.575 13.035 ( -0.290 0.000 -0.076) 0.300 13.090 ( -1.015 0.000 -1.253) 1.613 13.141 ( 2.247 0.000 -0.058) 2.248 13.571 ( -1.433 0.000 1.787) 2.290 13.645 ( -1.123 0.000 0.860) 1.415 13.662 ( 0.668 0.000 -0.619) 0.911 13.737 ( -0.610 0.000 1.529) 1.646 13.751 ( 1.387 0.000 -0.417) 1.448 13.783 ( 0.326 0.000 -0.990) 1.042 13.812 ( -0.052 0.000 0.681) 0.683 13.884 ( -1.264 0.000 -2.372) 2.687 17.218 ( -1.406 0.000 2.630) 2.982 17.341 ( 0.271 0.000 -0.715) 0.764 17.346 ( -3.620 0.000 1.476) 3.909 17.469 ( 0.198 0.000 -0.322) 0.378 17.708 ( 0.417 0.000 0.554) 0.693 17.731 ( 0.333 0.000 -0.962) 1.018 17.762 ( -0.273 0.000 -0.192) 0.334 17.776 ( -0.167 0.000 -0.721) 0.741 17.811 ( -2.214 0.000 0.203) 2.223 17.866 ( -0.703 0.000 -0.630) 0.944 17.902 ( -1.220 0.000 -1.276) 1.766 17.990 ( 5.599 0.000 -1.065) 5.699 18.062 ( -0.322 0.000 0.681) 0.753 18.070 ( 0.364 0.000 0.903) 0.974 18.225 ( -4.401 0.000 1.772) 4.744 18.254 ( 0.976 0.000 0.230) 1.003 18.349 ( -1.135 0.000 0.742) 1.356 18.387 ( -0.958 0.000 2.911) 3.065 18.484 ( 1.800 0.000 2.631) 3.188 18.490 ( -0.538 0.000 -0.572) 0.786 18.512 ( 0.361 0.000 -1.253) 1.304 18.605 ( -1.937 0.000 0.722) 2.067 18.627 ( 2.845 0.000 -1.717) 3.323 18.726 ( 2.335 0.000 -0.258) 2.349 28.543 ( -0.694 0.000 0.169) 0.714 28.561 ( 0.109 0.000 -0.461) 0.473 28.572 ( 0.229 0.000 0.161) 0.279 28.609 ( 1.242 0.000 -0.521) 1.347 28.870 ( -0.399 0.000 0.828) 0.919 28.928 ( -0.001 0.000 -0.374) 0.374 28.944 ( -0.144 0.000 -0.004) 0.144 28.949 ( 0.503 0.000 -0.501) 0.710 30.953 ( 0.489 0.000 4.136) 4.165 31.007 ( 2.170 0.000 0.383) 2.203 31.394 ( -3.224 0.000 -2.277) 3.947 31.452 ( 6.379 0.000 -4.402) 7.750 31.567 ( 8.583 0.000 -0.947) 8.635 31.592 ( 3.282 0.000 -2.155) 3.926 31.964 ( 6.033 0.000 6.859) 9.135 32.219 ( 2.655 0.000 -3.637) 4.503 32.464 ( 0.742 0.000 1.007) 1.250 32.628 ( -8.281 0.000 1.371) 8.394 32.637 ( 2.389 0.000 -4.093) 4.739 32.880 ( -1.373 0.000 -2.765) 3.087 33.054 ( 3.307 0.000 -4.202) 5.348 33.154 ( 4.413 0.000 -6.280) 7.676 33.455 ( -0.410 0.000 5.043) 5.059 33.545 ( -7.044 0.000 0.407) 7.055 33.618 ( 5.265 0.000 0.357) 5.277 33.774 ( 1.427 0.000 -5.583) 5.762 34.194 ( -8.226 0.000 13.919) 16.168 34.499 ( 0.015 0.000 2.884) 2.884 34.580 ( 1.812 0.000 2.994) 3.500 34.734 ( 0.191 0.000 5.210) 5.214 34.865 ( -11.069 0.000 0.778) 11.096 34.908 ( -6.700 0.000 -7.737) 10.235 ======================= Grid point 67 (33/66) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -9.848 0.000 -0.101) 9.848 1.570 ( 4.960 0.000 7.837) 9.275 1.727 ( -0.693 0.000 0.090) 0.699 1.740 ( -17.384 0.000 7.376) 18.884 1.825 ( 6.399 0.000 11.879) 13.493 1.996 ( 1.828 0.000 6.928) 7.165 2.129 ( 3.224 0.000 3.442) 4.716 2.254 ( 1.565 0.000 -1.380) 2.087 2.270 ( -1.117 0.000 -2.426) 2.671 2.413 ( 8.330 0.000 -0.214) 8.333 2.472 ( -8.268 0.000 -7.121) 10.912 2.490 ( 2.160 0.000 0.400) 2.197 2.778 ( 3.888 0.000 3.446) 5.195 2.813 ( 5.375 0.000 -4.858) 7.245 2.832 ( -1.000 0.000 1.869) 2.119 2.866 ( 2.500 0.000 -0.566) 2.563 2.891 ( 2.446 0.000 -4.284) 4.933 2.993 ( -2.573 0.000 2.373) 3.501 3.129 ( -7.236 0.000 2.098) 7.534 3.142 ( 0.109 0.000 5.191) 5.193 3.310 ( -4.474 0.000 -3.128) 5.459 3.339 ( 7.541 0.000 7.758) 10.819 3.399 ( -0.242 0.000 1.949) 1.964 3.405 ( 4.184 0.000 6.155) 7.442 3.554 ( 3.157 0.000 3.847) 4.976 3.616 ( 5.039 0.000 -5.156) 7.210 3.705 ( -4.959 0.000 -0.458) 4.980 3.720 ( -3.130 0.000 -7.617) 8.235 3.824 ( 3.897 0.000 2.922) 4.871 3.895 ( -0.254 0.000 0.494) 0.556 3.903 ( 3.208 0.000 -3.012) 4.400 3.958 ( -5.191 0.000 -3.704) 6.377 4.069 ( 0.892 0.000 -6.694) 6.753 4.072 ( -6.328 0.000 -2.246) 6.715 4.103 ( -0.569 0.000 0.506) 0.762 4.168 ( 5.252 0.000 -2.159) 5.678 4.257 ( -4.844 0.000 -0.185) 4.847 4.264 ( -6.131 0.000 4.156) 7.407 4.348 ( 1.800 0.000 -5.539) 5.824 4.355 ( -4.109 0.000 -3.368) 5.313 4.450 ( -5.248 0.000 5.466) 7.578 4.529 ( -2.305 0.000 2.041) 3.079 4.652 ( -0.740 0.000 6.840) 6.880 4.721 ( 10.543 0.000 -1.345) 10.628 4.766 ( -0.543 0.000 4.640) 4.671 4.857 ( -5.352 0.000 1.207) 5.487 4.865 ( 0.863 0.000 -10.271) 10.307 4.991 ( 6.190 0.000 -4.898) 7.893 5.143 ( -5.101 0.000 -4.757) 6.975 5.230 ( 4.869 0.000 6.826) 8.385 5.281 ( 6.415 0.000 7.091) 9.562 5.345 ( -0.993 0.000 -1.162) 1.528 5.358 ( -0.091 0.000 2.790) 2.791 5.385 ( 3.062 0.000 3.292) 4.496 5.539 ( -0.171 0.000 2.138) 2.145 5.541 ( -0.674 0.000 -0.681) 0.958 5.579 ( -3.142 0.000 -2.286) 3.886 5.581 ( -2.975 0.000 -3.373) 4.497 5.727 ( 2.135 0.000 -1.511) 2.615 5.781 ( 5.123 0.000 -1.121) 5.244 5.895 ( -4.255 0.000 4.091) 5.902 5.975 ( -1.467 0.000 -3.123) 3.450 6.030 ( 2.744 0.000 2.877) 3.976 6.059 ( 0.589 0.000 2.742) 2.805 6.116 ( 1.531 0.000 3.435) 3.761 6.159 ( 0.603 0.000 0.859) 1.050 6.180 ( 0.710 0.000 -2.362) 2.467 6.329 ( -3.447 0.000 -0.361) 3.466 6.347 ( -0.210 0.000 -0.991) 1.013 6.416 ( 0.691 0.000 -4.484) 4.537 6.493 ( -2.900 0.000 0.780) 3.003 6.541 ( -0.775 0.000 2.838) 2.942 6.605 ( -1.512 0.000 0.608) 1.630 6.797 ( -5.359 0.000 2.358) 5.855 6.857 ( -3.158 0.000 0.690) 3.232 6.878 ( 6.831 0.000 -8.768) 11.115 7.254 ( -1.288 0.000 0.951) 1.601 7.347 ( -3.388 0.000 -0.611) 3.443 7.458 ( 0.994 0.000 0.799) 1.275 7.671 ( 3.934 0.000 -1.240) 4.124 7.672 ( -0.477 0.000 3.909) 3.938 7.753 ( -1.533 0.000 -0.538) 1.625 7.855 ( 1.427 0.000 -0.163) 1.436 7.941 ( 3.819 0.000 -10.232) 10.921 8.521 ( -2.637 0.000 9.026) 9.403 9.120 ( 5.495 0.000 -3.831) 6.699 9.688 ( -5.942 0.000 1.606) 6.155 9.903 ( -1.150 0.000 1.436) 1.840 10.193 ( 2.996 0.000 -2.077) 3.646 10.291 ( 4.712 0.000 -12.226) 13.103 12.735 ( -0.817 0.000 0.583) 1.004 12.868 ( 1.062 0.000 -0.801) 1.330 12.931 ( 0.059 0.000 -0.458) 0.462 12.940 ( -2.333 0.000 1.431) 2.737 12.986 ( -0.139 0.000 -0.132) 0.192 13.030 ( -0.310 0.000 -0.396) 0.503 13.077 ( 0.356 0.000 0.066) 0.362 13.165 ( 0.878 0.000 -0.467) 0.994 13.560 ( -1.074 0.000 1.677) 1.992 13.637 ( -0.943 0.000 1.691) 1.936 13.679 ( 1.701 0.000 -0.576) 1.796 13.742 ( -1.835 0.000 -0.321) 1.863 13.742 ( -0.304 0.000 1.641) 1.669 13.804 ( 2.937 0.000 -1.389) 3.249 13.809 ( -0.721 0.000 0.080) 0.725 13.840 ( -1.682 0.000 -2.185) 2.757 17.219 ( -0.871 0.000 2.817) 2.948 17.300 ( -3.061 0.000 1.894) 3.600 17.341 ( 0.250 0.000 -0.603) 0.653 17.461 ( -0.513 0.000 -0.707) 0.873 17.717 ( 0.054 0.000 0.302) 0.306 17.731 ( 0.676 0.000 -1.126) 1.313 17.756 ( -0.265 0.000 0.005) 0.265 17.775 ( 0.341 0.000 -0.618) 0.706 17.794 ( -0.008 0.000 0.672) 0.672 17.859 ( 0.254 0.000 -0.153) 0.296 17.866 ( -1.592 0.000 -0.896) 1.827 18.036 ( -2.188 0.000 0.853) 2.348 18.063 ( 2.588 0.000 -0.237) 2.599 18.078 ( -0.168 0.000 0.815) 0.832 18.202 ( -0.913 0.000 3.574) 3.688 18.263 ( 0.057 0.000 -0.374) 0.379 18.347 ( 0.218 0.000 0.451) 0.501 18.407 ( 1.079 0.000 1.703) 2.016 18.460 ( -0.699 0.000 -1.571) 1.720 18.512 ( -0.324 0.000 -1.150) 1.195 18.513 ( -0.954 0.000 0.936) 1.336 18.592 ( -0.024 0.000 1.931) 1.931 18.667 ( 2.593 0.000 -1.227) 2.869 18.761 ( 1.446 0.000 0.272) 1.472 28.531 ( -0.694 0.000 0.077) 0.699 28.559 ( 0.096 0.000 -0.657) 0.664 28.577 ( 0.152 0.000 0.179) 0.235 28.620 ( 0.662 0.000 -0.942) 1.151 28.872 ( -0.180 0.000 0.922) 0.940 28.923 ( -0.284 0.000 -0.217) 0.357 28.941 ( -0.158 0.000 0.064) 0.170 28.956 ( 0.723 0.000 -0.617) 0.950 30.967 ( -2.187 0.000 3.468) 4.100 31.036 ( 1.011 0.000 -1.008) 1.428 31.351 ( 0.289 0.000 -2.066) 2.087 31.522 ( 7.489 0.000 -8.119) 11.046 31.619 ( 1.550 0.000 -1.235) 1.982 31.664 ( 3.542 0.000 -2.003) 4.069 32.090 ( 1.252 0.000 3.913) 4.109 32.255 ( 4.886 0.000 -4.864) 6.895 32.501 ( 0.864 0.000 -1.452) 1.689 32.546 ( -0.799 0.000 7.988) 8.028 32.654 ( 2.631 0.000 -3.497) 4.376 32.860 ( -0.096 0.000 0.310) 0.325 33.081 ( 3.226 0.000 -4.209) 5.304 33.193 ( 4.996 0.000 -4.620) 6.804 33.381 ( -8.144 0.000 4.040) 9.091 33.553 ( 2.082 0.000 4.781) 5.215 33.606 ( -1.759 0.000 -7.322) 7.530 33.840 ( 5.716 0.000 1.744) 5.976 34.128 ( -9.817 0.000 12.018) 15.518 34.553 ( 4.008 0.000 1.526) 4.289 34.593 ( -4.203 0.000 2.125) 4.709 34.698 ( -8.893 0.000 -5.728) 10.578 34.748 ( -2.544 0.000 3.239) 4.119 34.751 ( -2.604 0.000 1.602) 3.057 ======================= Grid point 68 (34/66) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -22.244 0.000 4.530) 22.701 1.399 ( -20.511 0.000 9.942) 22.793 1.659 ( -5.692 0.000 -0.051) 5.692 1.726 ( 2.495 0.000 -0.328) 2.516 2.031 ( -7.910 0.000 9.336) 12.236 2.057 ( 9.970 0.000 6.465) 11.883 2.220 ( -5.997 0.000 -3.709) 7.051 2.236 ( 4.230 0.000 1.250) 4.411 2.283 ( -4.699 0.000 -2.156) 5.170 2.392 ( 4.376 0.000 7.284) 8.497 2.523 ( 5.711 0.000 -8.079) 9.894 2.528 ( 4.149 0.000 0.470) 4.176 2.721 ( -3.109 0.000 -4.051) 5.106 2.769 ( 1.467 0.000 0.867) 1.704 2.876 ( 5.997 0.000 -3.060) 6.732 2.902 ( 2.254 0.000 -3.568) 4.220 2.929 ( -7.515 0.000 -4.990) 9.021 2.942 ( -5.640 0.000 0.795) 5.696 3.087 ( 7.402 0.000 5.135) 9.008 3.188 ( 0.024 0.000 2.632) 2.632 3.336 ( 1.195 0.000 13.568) 13.620 3.386 ( -5.288 0.000 1.898) 5.618 3.401 ( -1.134 0.000 2.083) 2.372 3.527 ( 2.868 0.000 0.360) 2.891 3.544 ( -8.367 0.000 -5.709) 10.129 3.663 ( 0.094 0.000 0.653) 0.660 3.687 ( -0.125 0.000 6.943) 6.944 3.701 ( 6.468 0.000 -5.762) 8.662 3.758 ( 1.380 0.000 -4.562) 4.766 3.786 ( -1.846 0.000 5.434) 5.739 3.943 ( 0.911 0.000 -6.321) 6.386 3.951 ( -1.486 0.000 2.213) 2.665 4.056 ( 6.198 0.000 -3.950) 7.349 4.063 ( -2.887 0.000 -3.376) 4.442 4.143 ( -5.402 0.000 -0.412) 5.417 4.148 ( -0.354 0.000 3.728) 3.744 4.204 ( 1.575 0.000 2.999) 3.387 4.263 ( -0.126 0.000 -1.020) 1.028 4.267 ( 1.263 0.000 -0.325) 1.304 4.381 ( 7.192 0.000 -2.310) 7.554 4.446 ( -3.337 0.000 0.214) 3.344 4.509 ( -0.905 0.000 1.571) 1.813 4.666 ( -0.073 0.000 3.018) 3.019 4.728 ( -3.046 0.000 -0.757) 3.139 4.793 ( -2.260 0.000 -2.107) 3.090 4.821 ( 0.997 0.000 3.488) 3.628 4.855 ( 3.044 0.000 -3.858) 4.914 5.038 ( 3.930 0.000 -5.249) 6.557 5.117 ( 4.212 0.000 -0.637) 4.260 5.254 ( -3.188 0.000 -2.289) 3.925 5.345 ( -0.014 0.000 -0.421) 0.421 5.376 ( -0.255 0.000 1.038) 1.069 5.409 ( 0.787 0.000 4.743) 4.808 5.446 ( 0.471 0.000 2.669) 2.710 5.493 ( -2.102 0.000 -2.250) 3.079 5.505 ( -1.026 0.000 -2.350) 2.564 5.521 ( -1.722 0.000 1.376) 2.204 5.596 ( 2.863 0.000 4.669) 5.477 5.753 ( 2.185 0.000 -0.101) 2.187 5.807 ( -5.021 0.000 0.930) 5.106 5.871 ( 3.448 0.000 0.467) 3.479 5.907 ( -3.815 0.000 -0.888) 3.917 6.069 ( -0.036 0.000 0.228) 0.231 6.125 ( 4.740 0.000 4.597) 6.603 6.151 ( -0.761 0.000 -1.264) 1.475 6.207 ( 1.176 0.000 5.739) 5.858 6.213 ( 2.892 0.000 -0.452) 2.927 6.292 ( 0.378 0.000 -1.029) 1.097 6.323 ( 0.282 0.000 -4.960) 4.968 6.430 ( 1.627 0.000 1.322) 2.096 6.467 ( 0.608 0.000 -0.207) 0.642 6.547 ( -1.185 0.000 3.257) 3.466 6.598 ( 0.475 0.000 0.980) 1.089 6.684 ( -5.943 0.000 -3.480) 6.887 6.805 ( -2.518 0.000 0.007) 2.518 6.949 ( 6.048 0.000 -5.200) 7.976 7.225 ( -2.585 0.000 0.558) 2.645 7.311 ( 0.435 0.000 -1.038) 1.126 7.508 ( 3.062 0.000 2.041) 3.680 7.638 ( -3.903 0.000 -3.067) 4.963 7.674 ( -2.285 0.000 3.185) 3.920 7.770 ( 1.949 0.000 0.501) 2.012 7.852 ( -1.589 0.000 -0.642) 1.714 7.916 ( 1.133 0.000 -7.521) 7.606 8.532 ( -4.197 0.000 9.324) 10.225 9.213 ( 8.861 0.000 -2.262) 9.145 9.621 ( -2.304 0.000 0.809) 2.442 9.872 ( -1.549 0.000 -4.765) 5.011 10.225 ( 1.853 0.000 -1.232) 2.225 10.300 ( 4.894 0.000 -10.045) 11.173 12.743 ( 0.873 0.000 1.285) 1.554 12.873 ( 0.396 0.000 -1.897) 1.938 12.904 ( -2.172 0.000 0.806) 2.317 12.938 ( 1.118 0.000 -0.147) 1.128 12.980 ( -0.284 0.000 -0.198) 0.347 13.015 ( -0.829 0.000 -0.900) 1.223 13.097 ( 0.972 0.000 1.227) 1.565 13.163 ( -0.604 0.000 -0.794) 0.998 13.562 ( -0.194 0.000 1.538) 1.550 13.642 ( 0.106 0.000 2.040) 2.043 13.698 ( -0.611 0.000 -2.263) 2.344 13.710 ( 0.716 0.000 0.636) 0.957 13.748 ( -0.570 0.000 1.627) 1.724 13.791 ( -1.043 0.000 -0.394) 1.115 13.797 ( -1.420 0.000 -1.843) 2.327 13.850 ( 3.228 0.000 -1.076) 3.402 17.227 ( -0.625 0.000 2.782) 2.851 17.274 ( -1.948 0.000 2.954) 3.539 17.340 ( 0.259 0.000 -0.654) 0.703 17.448 ( 0.002 0.000 -1.196) 1.196 17.711 ( -0.807 0.000 0.016) 0.807 17.736 ( 0.583 0.000 -1.023) 1.178 17.759 ( 0.438 0.000 0.272) 0.516 17.776 ( 0.746 0.000 -0.864) 1.142 17.813 ( 0.956 0.000 1.214) 1.545 17.842 ( -0.665 0.000 -0.516) 0.842 17.875 ( 1.411 0.000 0.791) 1.617 17.991 ( -2.929 0.000 -0.599) 2.990 18.075 ( -0.817 0.000 0.275) 0.862 18.094 ( 0.784 0.000 0.358) 0.862 18.230 ( 0.685 0.000 3.285) 3.355 18.251 ( -0.960 0.000 -0.371) 1.029 18.359 ( 0.548 0.000 0.126) 0.562 18.440 ( 1.406 0.000 1.263) 1.890 18.453 ( 1.101 0.000 -1.305) 1.707 18.480 ( -2.810 0.000 1.727) 3.298 18.487 ( -1.111 0.000 -1.868) 2.173 18.628 ( 1.142 0.000 3.960) 4.121 18.683 ( 0.498 0.000 -1.708) 1.779 18.773 ( -0.348 0.000 0.082) 0.357 28.523 ( -0.205 0.000 0.089) 0.223 28.555 ( 0.199 0.000 -0.772) 0.797 28.579 ( -0.087 0.000 0.239) 0.254 28.619 ( 0.181 0.000 -1.082) 1.097 28.876 ( -0.164 0.000 0.983) 0.997 28.917 ( -0.150 0.000 -0.272) 0.311 28.940 ( -0.014 0.000 0.074) 0.075 28.961 ( 0.356 0.000 -0.571) 0.673 30.936 ( -3.668 0.000 2.359) 4.360 31.031 ( -0.228 0.000 -1.300) 1.320 31.356 ( 0.959 0.000 -1.020) 1.400 31.552 ( 3.588 0.000 -11.826) 12.358 31.632 ( 0.708 0.000 -0.510) 0.872 31.680 ( 0.201 0.000 -0.939) 0.961 32.029 ( -8.756 0.000 0.077) 8.756 32.303 ( 4.201 0.000 -3.672) 5.580 32.487 ( -0.909 0.000 1.853) 2.064 32.662 ( 1.260 0.000 -3.827) 4.030 32.704 ( 8.343 0.000 8.351) 11.804 32.883 ( 2.595 0.000 0.226) 2.605 33.097 ( 2.249 0.000 -3.526) 4.182 33.245 ( 4.236 0.000 -3.654) 5.594 33.292 ( -6.704 0.000 4.885) 8.295 33.498 ( -4.137 0.000 -7.651) 8.698 33.633 ( 1.376 0.000 8.666) 8.775 33.942 ( 4.632 0.000 0.693) 4.683 34.076 ( -5.139 0.000 10.038) 11.277 34.460 ( -8.902 0.000 -3.442) 9.545 34.487 ( -7.277 0.000 0.166) 7.279 34.692 ( 2.046 0.000 -2.651) 3.348 34.736 ( 4.736 0.000 2.355) 5.289 34.808 ( 4.606 0.000 4.453) 6.407 ======================= Grid point 69 (35/66) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -16.602 0.000 17.657) 24.236 1.207 ( -13.963 0.000 20.153) 24.518 1.587 ( -4.584 0.000 4.129) 6.169 1.626 ( -20.833 0.000 3.749) 21.167 1.908 ( -3.711 0.000 5.617) 6.733 2.076 ( -2.835 0.000 -0.043) 2.835 2.152 ( -1.798 0.000 0.689) 1.926 2.257 ( -2.892 0.000 -0.488) 2.933 2.343 ( -7.928 0.000 5.821) 9.836 2.392 ( 6.792 0.000 2.253) 7.156 2.432 ( -3.825 0.000 -8.488) 9.310 2.609 ( 2.912 0.000 -0.542) 2.962 2.708 ( -2.930 0.000 -5.717) 6.424 2.726 ( -4.178 0.000 -8.988) 9.912 2.904 ( -0.038 0.000 3.875) 3.875 2.915 ( 6.626 0.000 -11.023) 12.861 2.920 ( 15.551 0.000 3.325) 15.902 3.066 ( 4.328 0.000 12.029) 12.784 3.191 ( 1.011 0.000 6.104) 6.187 3.198 ( -0.092 0.000 0.300) 0.314 3.307 ( -6.335 0.000 -4.542) 7.794 3.309 ( -3.189 0.000 0.150) 3.193 3.404 ( -2.190 0.000 1.928) 2.917 3.480 ( -5.501 0.000 0.967) 5.586 3.538 ( 7.411 0.000 11.371) 13.573 3.662 ( -2.134 0.000 2.220) 3.080 3.666 ( -0.157 0.000 -5.002) 5.004 3.728 ( 0.316 0.000 -3.935) 3.948 3.805 ( -2.349 0.000 -3.668) 4.356 3.868 ( 3.957 0.000 0.613) 4.005 3.941 ( 4.307 0.000 1.045) 4.432 3.963 ( -2.369 0.000 -5.445) 5.938 3.972 ( 2.991 0.000 2.370) 3.817 4.023 ( -6.091 0.000 0.806) 6.144 4.091 ( -9.503 0.000 -3.788) 10.230 4.143 ( 4.742 0.000 -0.975) 4.841 4.165 ( -3.303 0.000 4.127) 5.286 4.260 ( -0.854 0.000 -4.299) 4.383 4.323 ( 2.610 0.000 -4.137) 4.891 4.415 ( -0.327 0.000 -1.800) 1.829 4.455 ( 7.880 0.000 3.005) 8.434 4.608 ( 6.092 0.000 4.821) 7.769 4.693 ( 1.826 0.000 -0.042) 1.827 4.726 ( -2.901 0.000 2.698) 3.961 4.759 ( 3.087 0.000 -0.215) 3.095 4.838 ( 1.729 0.000 -2.557) 3.086 4.914 ( 4.537 0.000 1.678) 4.837 5.086 ( 2.851 0.000 2.361) 3.701 5.162 ( -1.228 0.000 0.618) 1.374 5.182 ( -3.016 0.000 -4.285) 5.240 5.304 ( -2.069 0.000 -2.335) 3.119 5.304 ( -7.524 0.000 -0.651) 7.553 5.334 ( -4.793 0.000 -4.942) 6.885 5.426 ( -1.624 0.000 2.603) 3.067 5.485 ( -0.925 0.000 1.103) 1.440 5.536 ( 0.475 0.000 2.400) 2.447 5.539 ( 4.531 0.000 -0.896) 4.619 5.667 ( 0.697 0.000 3.152) 3.228 5.762 ( -1.806 0.000 2.496) 3.081 5.770 ( -1.416 0.000 -1.102) 1.794 5.900 ( 2.461 0.000 1.451) 2.857 5.910 ( 2.083 0.000 -2.945) 3.608 6.074 ( 1.547 0.000 -1.920) 2.466 6.114 ( -2.013 0.000 -1.035) 2.263 6.185 ( -1.547 0.000 0.631) 1.670 6.232 ( -0.328 0.000 -1.159) 1.204 6.260 ( 3.426 0.000 -0.732) 3.503 6.282 ( -0.943 0.000 -1.624) 1.878 6.346 ( 5.798 0.000 0.910) 5.869 6.464 ( 0.270 0.000 6.665) 6.670 6.515 ( 1.547 0.000 1.826) 2.393 6.556 ( -0.176 0.000 2.676) 2.682 6.597 ( 2.144 0.000 -6.588) 6.928 6.630 ( 1.418 0.000 1.272) 1.905 6.791 ( -0.383 0.000 3.073) 3.096 6.974 ( 2.034 0.000 -5.966) 6.303 7.201 ( -0.327 0.000 1.906) 1.934 7.352 ( 4.030 0.000 -0.819) 4.112 7.554 ( -2.248 0.000 -2.480) 3.348 7.565 ( 0.322 0.000 2.337) 2.359 7.649 ( -2.021 0.000 2.050) 2.879 7.788 ( -0.398 0.000 0.158) 0.428 7.799 ( -3.530 0.000 -0.736) 3.606 7.878 ( -0.435 0.000 -3.512) 3.539 8.521 ( -4.401 0.000 8.322) 9.414 9.405 ( 15.259 0.000 -3.202) 15.592 9.629 ( 1.299 0.000 3.231) 3.482 9.772 ( -3.290 0.000 -10.232) 10.748 10.229 ( -0.164 0.000 -1.733) 1.741 10.253 ( -2.852 0.000 -9.328) 9.754 12.777 ( 1.500 0.000 1.507) 2.126 12.846 ( -0.624 0.000 -3.101) 3.163 12.895 ( -0.236 0.000 1.049) 1.076 12.962 ( 0.921 0.000 0.231) 0.949 12.977 ( -0.270 0.000 0.824) 0.867 12.996 ( 0.273 0.000 -1.021) 1.056 13.118 ( 0.461 0.000 0.893) 1.005 13.135 ( -1.814 0.000 -0.971) 2.057 13.569 ( -0.509 0.000 1.447) 1.534 13.670 ( -0.342 0.000 -1.510) 1.548 13.670 ( 1.157 0.000 1.731) 2.082 13.739 ( 1.871 0.000 -0.314) 1.897 13.743 ( -1.362 0.000 1.460) 1.997 13.762 ( -1.348 0.000 -1.296) 1.870 13.777 ( 0.061 0.000 -0.363) 0.368 13.893 ( 2.669 0.000 -1.341) 2.987 17.234 ( -0.916 0.000 2.581) 2.738 17.286 ( 0.254 0.000 4.795) 4.801 17.341 ( 0.394 0.000 -0.778) 0.872 17.443 ( 0.572 0.000 -1.436) 1.546 17.698 ( -0.602 0.000 0.079) 0.607 17.727 ( -0.578 0.000 -0.873) 1.047 17.768 ( 0.319 0.000 0.137) 0.347 17.800 ( 2.849 0.000 -1.275) 3.122 17.828 ( -0.725 0.000 -0.305) 0.787 17.833 ( 0.487 0.000 0.906) 1.028 17.919 ( 2.092 0.000 2.330) 3.131 17.928 ( -3.116 0.000 -1.907) 3.653 18.053 ( -1.458 0.000 -0.682) 1.610 18.096 ( -0.849 0.000 0.443) 0.958 18.231 ( -1.118 0.000 0.273) 1.151 18.265 ( 1.188 0.000 1.864) 2.210 18.357 ( -0.333 0.000 -0.750) 0.820 18.453 ( -0.802 0.000 -1.876) 2.040 18.458 ( -0.272 0.000 0.766) 0.813 18.474 ( -1.202 0.000 4.515) 4.673 18.481 ( 2.946 0.000 -1.074) 3.135 18.660 ( -1.350 0.000 -2.102) 2.498 18.689 ( 1.944 0.000 4.749) 5.132 18.751 ( -1.585 0.000 -0.973) 1.859 28.526 ( 0.367 0.000 0.178) 0.408 28.555 ( 0.424 0.000 -0.705) 0.823 28.578 ( -0.274 0.000 0.307) 0.412 28.612 ( -0.168 0.000 -1.103) 1.116 28.879 ( -0.374 0.000 0.960) 1.030 28.915 ( 0.186 0.000 -0.359) 0.405 28.942 ( 0.140 0.000 0.006) 0.140 28.959 ( -0.080 0.000 -0.409) 0.416 30.892 ( -3.045 0.000 2.342) 3.841 31.014 ( -1.253 0.000 0.069) 1.254 31.368 ( 1.609 0.000 -0.464) 1.674 31.449 ( -5.531 0.000 -12.221) 13.414 31.628 ( -0.747 0.000 -0.797) 1.092 31.650 ( -2.949 0.000 -1.712) 3.410 31.870 ( -8.699 0.000 2.884) 9.165 32.328 ( 0.154 0.000 -1.092) 1.102 32.484 ( -1.271 0.000 1.710) 2.131 32.645 ( 0.682 0.000 -4.317) 4.371 32.889 ( 6.966 0.000 3.664) 7.871 32.950 ( 6.084 0.000 -2.489) 6.574 33.088 ( -2.335 0.000 -5.083) 5.594 33.239 ( -2.213 0.000 7.989) 8.290 33.258 ( 0.799 0.000 -8.604) 8.641 33.375 ( -3.697 0.000 -2.471) 4.447 33.727 ( 0.349 0.000 11.697) 11.702 33.976 ( 0.228 0.000 -4.405) 4.411 34.096 ( -2.567 0.000 10.853) 11.153 34.372 ( 0.174 0.000 2.208) 2.215 34.392 ( -1.926 0.000 -1.900) 2.706 34.647 ( -3.294 0.000 0.691) 3.366 34.897 ( 10.500 0.000 -2.626) 10.823 34.954 ( 8.776 0.000 3.610) 9.489 ======================= Grid point 70 (36/66) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -5.141 0.000 26.271) 26.769 1.102 ( -20.929 0.000 19.241) 28.430 1.397 ( -7.277 0.000 26.130) 27.125 1.521 ( -10.243 0.000 8.460) 13.285 1.997 ( 4.123 0.000 8.522) 9.467 2.074 ( -6.300 0.000 3.672) 7.293 2.097 ( 3.948 0.000 3.318) 5.158 2.190 ( -1.647 0.000 -2.504) 2.997 2.215 ( -6.427 0.000 2.814) 7.016 2.390 ( 5.514 0.000 -7.812) 9.562 2.485 ( 0.284 0.000 -8.272) 8.277 2.592 ( 3.704 0.000 -2.560) 4.502 2.614 ( -2.116 0.000 -1.700) 2.715 2.737 ( 3.966 0.000 1.518) 4.247 2.883 ( -4.382 0.000 -1.851) 4.757 2.948 ( 3.061 0.000 -5.389) 6.197 3.090 ( -5.606 0.000 -1.136) 5.720 3.122 ( 0.975 0.000 3.243) 3.387 3.165 ( 1.068 0.000 5.030) 5.142 3.253 ( -5.347 0.000 2.076) 5.736 3.280 ( 3.817 0.000 0.835) 3.907 3.322 ( -7.739 0.000 0.304) 7.745 3.391 ( 10.524 0.000 1.958) 10.704 3.417 ( -2.575 0.000 3.392) 4.258 3.614 ( -3.087 0.000 -3.115) 4.386 3.617 ( 4.198 0.000 -7.521) 8.613 3.667 ( -1.046 0.000 -5.348) 5.449 3.678 ( -10.321 0.000 -2.691) 10.666 3.748 ( 6.169 0.000 1.442) 6.336 3.844 ( 1.143 0.000 -3.140) 3.342 3.885 ( -0.304 0.000 -4.873) 4.882 3.936 ( -4.016 0.000 3.406) 5.266 3.964 ( -1.475 0.000 1.024) 1.796 4.086 ( 5.345 0.000 6.907) 8.734 4.099 ( 5.124 0.000 4.214) 6.634 4.157 ( 1.456 0.000 -1.387) 2.011 4.205 ( 2.617 0.000 2.873) 3.886 4.235 ( 2.695 0.000 -3.492) 4.411 4.359 ( 2.748 0.000 -2.875) 3.977 4.393 ( 0.019 0.000 -3.278) 3.278 4.598 ( 5.755 0.000 2.310) 6.202 4.621 ( -2.130 0.000 -4.631) 5.097 4.704 ( -2.946 0.000 5.942) 6.632 4.745 ( -0.823 0.000 4.595) 4.668 4.819 ( -0.186 0.000 3.070) 3.075 4.877 ( 0.339 0.000 5.983) 5.993 4.979 ( 1.506 0.000 -3.220) 3.555 5.023 ( -7.930 0.000 -11.556) 14.015 5.104 ( 0.414 0.000 -4.373) 4.393 5.107 ( -3.548 0.000 3.821) 5.214 5.186 ( -4.661 0.000 1.648) 4.944 5.271 ( 2.792 0.000 -1.862) 3.356 5.353 ( 4.995 0.000 4.125) 6.478 5.427 ( -0.651 0.000 -0.827) 1.052 5.458 ( -2.803 0.000 1.271) 3.078 5.552 ( -0.442 0.000 -0.727) 0.850 5.605 ( 1.732 0.000 -0.139) 1.737 5.670 ( -0.046 0.000 0.103) 0.113 5.736 ( 0.490 0.000 -3.079) 3.117 5.762 ( -0.845 0.000 3.991) 4.080 5.900 ( -1.602 0.000 -1.185) 1.993 5.919 ( -0.447 0.000 -0.995) 1.090 6.052 ( -2.603 0.000 -7.481) 7.921 6.074 ( 0.444 0.000 -1.907) 1.958 6.125 ( -2.826 0.000 -1.994) 3.459 6.218 ( 2.446 0.000 -3.023) 3.889 6.276 ( 1.040 0.000 0.957) 1.413 6.308 ( 0.300 0.000 0.385) 0.488 6.448 ( 3.573 0.000 0.845) 3.671 6.516 ( -1.679 0.000 0.854) 1.884 6.544 ( 2.626 0.000 5.641) 6.222 6.565 ( -0.427 0.000 -0.386) 0.575 6.648 ( -0.594 0.000 2.191) 2.270 6.666 ( 7.860 0.000 -5.495) 9.591 6.823 ( 0.357 0.000 4.677) 4.691 6.976 ( 3.567 0.000 -3.845) 5.245 7.247 ( 1.736 0.000 4.624) 4.939 7.376 ( 1.033 0.000 -2.852) 3.033 7.541 ( 0.225 0.000 -2.018) 2.030 7.543 ( -2.314 0.000 1.451) 2.731 7.633 ( -2.874 0.000 -0.259) 2.886 7.754 ( -0.571 0.000 0.900) 1.066 7.773 ( -0.285 0.000 0.270) 0.393 7.862 ( 0.884 0.000 -0.974) 1.315 8.509 ( -3.947 0.000 7.583) 8.549 9.388 ( -8.365 0.000 -24.019) 25.434 9.696 ( 1.972 0.000 6.040) 6.354 9.868 ( 19.045 0.000 5.923) 19.945 10.103 ( -6.926 0.000 -3.595) 7.804 10.199 ( -0.863 0.000 -3.062) 3.181 12.804 ( 0.278 0.000 0.863) 0.907 12.825 ( 0.722 0.000 -2.407) 2.513 12.907 ( 0.713 0.000 1.129) 1.336 12.954 ( -0.739 0.000 -0.112) 0.748 12.981 ( -0.533 0.000 1.685) 1.767 13.032 ( 3.251 0.000 0.175) 3.255 13.092 ( -2.178 0.000 -1.012) 2.402 13.125 ( -0.091 0.000 0.059) 0.109 13.568 ( -0.617 0.000 1.584) 1.700 13.665 ( 0.622 0.000 -1.078) 1.244 13.683 ( -1.021 0.000 0.679) 1.226 13.733 ( -0.693 0.000 -1.307) 1.479 13.737 ( -0.271 0.000 1.247) 1.276 13.767 ( 1.399 0.000 -0.115) 1.404 13.788 ( 0.757 0.000 0.597) 0.964 13.916 ( 1.419 0.000 -1.851) 2.333 17.234 ( -1.371 0.000 2.502) 2.853 17.342 ( 0.456 0.000 -0.893) 1.002 17.351 ( 2.523 0.000 4.301) 4.987 17.447 ( 0.975 0.000 -1.118) 1.484 17.693 ( -0.049 0.000 0.230) 0.236 17.719 ( 0.456 0.000 -0.190) 0.494 17.770 ( -0.055 0.000 -0.082) 0.099 17.806 ( -0.565 0.000 -0.695) 0.896 17.841 ( 1.554 0.000 -1.976) 2.514 17.844 ( 0.047 0.000 0.822) 0.824 17.887 ( 0.910 0.000 -0.507) 1.041 17.950 ( -1.475 0.000 1.479) 2.089 18.031 ( 0.356 0.000 -0.339) 0.492 18.075 ( -1.818 0.000 0.467) 1.877 18.222 ( -0.327 0.000 0.746) 0.815 18.299 ( 1.527 0.000 0.471) 1.598 18.348 ( -0.421 0.000 0.972) 1.059 18.438 ( 0.880 0.000 -1.678) 1.895 18.448 ( -3.616 0.000 4.359) 5.664 18.475 ( -0.702 0.000 0.320) 0.771 18.535 ( 3.877 0.000 -0.643) 3.930 18.612 ( -2.366 0.000 -2.023) 3.113 18.715 ( -1.131 0.000 -1.729) 2.066 18.721 ( -2.062 0.000 0.551) 2.134 28.537 ( 0.632 0.000 0.213) 0.667 28.560 ( 0.635 0.000 -0.439) 0.772 28.574 ( -0.418 0.000 0.375) 0.562 28.595 ( -0.747 0.000 -0.902) 1.171 28.877 ( -0.598 0.000 0.860) 1.047 28.919 ( 0.616 0.000 -0.484) 0.783 28.944 ( 0.154 0.000 -0.061) 0.165 28.954 ( -0.217 0.000 -0.225) 0.313 30.884 ( -0.588 0.000 3.854) 3.899 30.989 ( -1.866 0.000 1.027) 2.130 31.241 ( -7.650 0.000 -1.995) 7.906 31.413 ( 3.347 0.000 0.596) 3.400 31.573 ( -4.018 0.000 -1.251) 4.208 31.594 ( -1.827 0.000 -2.402) 3.018 31.809 ( -2.488 0.000 5.035) 5.616 32.288 ( -3.671 0.000 -0.178) 3.675 32.471 ( -1.611 0.000 1.622) 2.286 32.633 ( 1.725 0.000 -4.314) 4.646 32.940 ( -8.266 0.000 -3.000) 8.793 32.992 ( 3.433 0.000 -0.985) 3.572 33.031 ( 5.653 0.000 -6.814) 8.853 33.134 ( -2.599 0.000 -11.490) 11.780 33.319 ( 3.539 0.000 4.430) 5.670 33.383 ( 2.312 0.000 3.841) 4.483 33.774 ( -4.964 0.000 8.392) 9.750 33.911 ( -1.141 0.000 -8.258) 8.336 34.134 ( -2.302 0.000 12.042) 12.260 34.417 ( 4.640 0.000 0.473) 4.664 34.449 ( 1.964 0.000 7.561) 7.812 34.616 ( 0.003 0.000 0.121) 0.121 35.017 ( 6.094 0.000 -4.535) 7.596 35.108 ( 6.193 0.000 -2.996) 6.879 ======================= Grid point 71 (37/66) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.287 -1.126 24.363) 24.390 1.164 ( 2.065 8.281 18.644) 20.505 1.425 ( -3.902 4.391 8.116) 10.019 1.749 ( 2.694 6.242 11.561) 13.411 1.975 ( -0.106 -9.263 -0.578) 9.282 2.015 ( -1.555 -7.012 11.038) 13.169 2.068 ( 0.464 -4.938 2.495) 5.552 2.186 ( -3.789 4.666 0.459) 6.028 2.294 ( 1.448 4.237 0.283) 4.486 2.360 ( -0.925 2.605 0.289) 2.779 2.482 ( 1.135 -5.907 0.650) 6.050 2.588 ( 4.765 -3.055 5.440) 7.850 2.661 ( -3.434 -1.253 -3.728) 5.221 2.683 ( 2.741 0.772 -2.226) 3.615 2.752 ( 3.058 -2.477 -0.342) 3.950 2.879 ( 0.902 -8.135 1.839) 8.389 2.955 ( -9.067 -0.001 1.319) 9.163 3.007 ( -3.083 -1.958 -0.355) 3.669 3.202 ( 0.543 -3.792 0.062) 3.832 3.232 ( 3.270 1.359 1.243) 3.753 3.256 ( -3.008 3.866 4.408) 6.590 3.312 ( -3.219 3.687 -0.776) 4.955 3.384 ( -1.279 0.555 -3.792) 4.040 3.407 ( -7.865 -3.328 -0.508) 8.555 3.513 ( -2.195 -2.618 -0.949) 3.546 3.549 ( 4.033 -5.482 -4.165) 7.979 3.585 ( 5.464 -2.594 3.557) 7.017 3.682 ( -0.296 -3.822 -5.077) 6.362 3.704 ( 4.883 -5.744 -4.967) 9.028 3.835 ( 0.386 -0.209 -1.754) 1.808 3.878 ( -0.042 -0.438 0.337) 0.554 3.945 ( -1.522 -2.695 -4.412) 5.390 3.980 ( 2.217 1.289 0.804) 2.687 4.051 ( 0.250 -6.174 -1.981) 6.489 4.133 ( 8.979 -6.322 1.810) 11.129 4.165 ( 2.708 -3.158 -3.008) 5.133 4.257 ( 2.119 0.686 1.966) 2.971 4.383 ( 1.477 3.354 -0.710) 3.733 4.460 ( 0.790 8.293 1.431) 8.453 4.499 ( 3.004 4.451 -1.621) 5.610 4.564 ( -1.560 2.222 -2.502) 3.692 4.642 ( -5.317 1.188 1.805) 5.740 4.671 ( -1.492 -1.078 -1.787) 2.566 4.736 ( -7.441 -0.895 -4.435) 8.709 4.757 ( 1.391 -0.011 1.984) 2.423 4.857 ( -2.963 3.418 5.973) 7.493 4.986 ( -1.393 4.246 7.235) 8.504 4.996 ( -0.217 -2.556 -3.732) 4.528 5.095 ( 1.329 8.654 4.300) 9.755 5.145 ( 1.125 0.010 1.563) 1.926 5.220 ( -8.349 5.202 -3.527) 10.450 5.305 ( 1.887 -2.878 4.585) 5.733 5.348 ( -0.639 0.828 1.648) 1.952 5.421 ( -0.086 -0.971 -0.818) 1.272 5.489 ( 1.567 -1.161 -0.894) 2.145 5.566 ( 0.722 7.736 3.531) 8.535 5.632 ( 2.447 -4.502 -4.121) 6.576 5.661 ( 1.881 3.636 -5.201) 6.619 5.758 ( -2.434 2.527 -2.731) 4.446 5.778 ( 0.099 -1.305 5.367) 5.524 5.868 ( 0.011 -0.267 -5.663) 5.669 5.939 ( -1.398 0.523 0.062) 1.494 5.994 ( -0.277 3.080 1.448) 3.414 6.063 ( -0.944 0.969 1.681) 2.158 6.145 ( -1.296 2.312 0.290) 2.667 6.238 ( 0.699 0.021 -4.816) 4.866 6.269 ( 1.769 -0.676 0.403) 1.936 6.340 ( 0.508 0.460 0.565) 0.888 6.423 ( -1.680 -0.120 -1.156) 2.043 6.466 ( -1.215 -6.319 3.303) 7.233 6.550 ( -1.825 1.304 -5.390) 5.838 6.589 ( -0.953 0.498 1.114) 1.548 6.626 ( -0.042 2.171 1.303) 2.533 6.686 ( 5.497 -3.541 -5.502) 8.546 6.835 ( -2.452 -7.676 2.793) 8.529 6.858 ( 0.535 -1.605 2.391) 2.929 7.405 ( 0.674 4.949 -3.220) 5.943 7.433 ( -1.876 -1.100 -0.827) 2.327 7.462 ( 3.086 1.876 0.624) 3.665 7.553 ( -1.510 1.657 -1.948) 2.970 7.653 ( -0.838 3.910 1.357) 4.223 7.740 ( 1.430 -0.916 1.098) 2.022 7.813 ( -0.651 0.209 0.898) 1.129 7.910 ( 4.768 1.678 -1.803) 5.366 8.578 ( -0.975 6.038 1.403) 6.275 9.034 ( -3.159 -6.344 -7.530) 10.340 9.758 ( -0.217 -0.405 5.718) 5.737 9.958 ( 2.771 -6.101 1.955) 6.980 10.075 ( 1.623 2.995 -0.939) 3.533 10.345 ( 2.437 4.030 -14.046) 14.815 12.797 ( -1.238 0.394 -0.092) 1.303 12.830 ( 1.610 -0.324 -1.518) 2.237 12.905 ( 0.638 -1.789 1.099) 2.194 12.942 ( -0.989 -1.227 0.188) 1.587 12.992 ( -0.419 0.983 0.787) 1.328 13.048 ( 0.028 -0.126 0.526) 0.542 13.068 ( 2.352 -1.264 -0.757) 2.775 13.108 ( -0.530 -0.981 -0.254) 1.143 13.572 ( -0.408 -0.097 1.617) 1.670 13.643 ( -1.061 -1.716 0.052) 2.018 13.672 ( -0.608 0.684 -0.102) 0.920 13.727 ( -0.358 -0.915 0.916) 1.343 13.746 ( 1.618 0.107 -0.740) 1.782 13.753 ( 0.126 0.685 0.131) 0.708 13.863 ( 0.148 2.930 0.002) 2.934 13.923 ( 0.139 0.729 -2.023) 2.155 17.226 ( -1.653 0.051 2.596) 3.078 17.308 ( -0.572 -2.714 1.538) 3.171 17.381 ( -0.926 0.271 0.807) 1.258 17.450 ( 0.912 -0.869 -0.468) 1.344 17.676 ( 0.200 -0.295 -0.397) 0.534 17.737 ( -0.219 -1.054 -1.479) 1.830 17.755 ( -0.137 -0.922 -1.080) 1.427 17.782 ( -0.266 -1.016 -1.329) 1.694 17.843 ( -0.649 0.136 0.626) 0.912 17.880 ( 4.605 0.266 -0.048) 4.613 17.896 ( -1.798 -0.541 -0.199) 1.888 17.929 ( 4.154 -0.280 -1.145) 4.318 18.021 ( -0.693 -1.254 0.182) 1.445 18.061 ( 0.059 0.175 -0.109) 0.215 18.236 ( -0.772 0.285 0.676) 1.065 18.287 ( -2.253 -0.658 -0.241) 2.359 18.374 ( -1.864 0.791 3.577) 4.110 18.420 ( -0.569 1.462 1.465) 2.146 18.461 ( -0.763 0.658 0.793) 1.282 18.503 ( 0.074 1.391 0.866) 1.640 18.548 ( -1.848 0.133 -0.046) 1.853 18.592 ( 0.542 0.966 -0.238) 1.132 18.660 ( -0.901 1.023 0.369) 1.412 18.707 ( 0.576 0.351 -1.316) 1.478 28.547 ( 0.195 0.087 0.246) 0.326 28.562 ( -0.030 -0.172 0.080) 0.192 28.573 ( -0.107 0.317 -0.135) 0.361 28.591 ( 0.860 -0.019 -0.256) 0.897 28.875 ( -0.458 0.264 0.666) 0.850 28.927 ( 0.555 -0.180 -0.901) 1.073 28.940 ( -0.068 -0.341 0.108) 0.364 28.949 ( -0.347 0.012 -0.131) 0.371 30.949 ( 1.035 3.305 3.224) 4.731 31.023 ( -0.160 3.236 0.700) 3.315 31.299 ( 8.274 1.347 4.751) 9.635 31.437 ( 0.492 -1.847 1.362) 2.347 31.520 ( -2.721 1.104 -0.855) 3.059 31.697 ( 2.148 10.433 -7.841) 13.226 31.817 ( 0.104 -2.727 5.372) 6.026 32.198 ( -1.941 -3.053 -2.945) 4.665 32.509 ( -0.338 4.877 2.098) 5.320 32.664 ( -1.987 1.499 0.090) 2.491 32.777 ( -3.508 0.076 -3.460) 4.928 32.913 ( -0.767 -0.359 -3.352) 3.457 33.038 ( 1.905 -4.098 -2.504) 5.166 33.154 ( 2.146 4.906 -5.671) 7.800 33.323 ( 6.871 -5.457 2.292) 9.069 33.499 ( 0.367 0.733 3.909) 3.994 33.666 ( -8.178 -1.856 1.325) 8.490 33.733 ( -0.185 -7.352 -4.963) 8.872 34.244 ( -1.937 3.770 10.212) 11.057 34.473 ( 1.429 -0.517 3.570) 3.880 34.527 ( 1.284 0.439 3.404) 3.664 34.598 ( 0.502 -5.264 4.204) 6.755 35.012 ( -1.069 -0.735 -6.770) 6.894 35.046 ( -3.690 -1.091 -5.809) 6.968 ======================= Grid point 72 (38/66) ======================= q-point: ( 0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 4.640 -5.476 22.912) 24.010 1.424 ( 8.433 6.286 12.850) 16.606 1.585 ( 15.086 5.562 4.879) 16.803 1.858 ( -0.981 -2.282 3.797) 4.537 1.903 ( -9.461 -3.587 -0.837) 10.153 1.958 ( -6.351 -1.003 6.550) 9.179 2.061 ( 2.609 -9.366 -6.288) 11.578 2.175 ( 0.154 0.868 5.240) 5.314 2.312 ( -2.082 -3.203 0.126) 3.822 2.397 ( 0.906 3.051 4.528) 5.535 2.436 ( -0.980 0.584 -0.666) 1.321 2.636 ( -0.565 1.990 -5.848) 6.203 2.655 ( 0.701 -5.624 2.366) 6.141 2.755 ( 5.069 3.488 1.851) 6.426 2.795 ( -5.187 -0.892 0.800) 5.324 2.843 ( 2.827 -1.601 1.988) 3.809 2.902 ( -1.778 -0.427 1.776) 2.549 3.005 ( 3.310 -3.098 0.536) 4.565 3.169 ( -3.093 -0.233 -4.451) 5.425 3.202 ( -4.516 6.872 3.282) 8.854 3.243 ( -1.035 1.722 3.560) 4.088 3.274 ( -3.829 -5.093 5.631) 8.503 3.365 ( -0.061 -3.327 7.437) 8.147 3.411 ( 3.131 3.053 -1.682) 4.685 3.433 ( 0.211 -3.429 -4.783) 5.889 3.562 ( -0.320 -3.866 -5.999) 7.145 3.648 ( 1.840 -12.982 -3.718) 13.629 3.673 ( -0.034 -8.918 2.391) 9.233 3.745 ( 3.104 1.164 2.604) 4.215 3.839 ( 3.577 1.888 -2.495) 4.752 3.893 ( 4.210 -1.612 -8.169) 9.330 3.951 ( -1.440 -3.151 2.299) 4.158 4.005 ( 0.801 -1.214 -0.200) 1.468 4.037 ( -1.384 -1.551 -3.547) 4.111 4.152 ( 4.667 -1.474 -4.156) 6.421 4.231 ( -1.468 -0.915 -2.202) 2.800 4.326 ( 5.105 -1.858 0.011) 5.433 4.401 ( 3.635 -0.892 -2.850) 4.704 4.427 ( -5.040 6.578 -3.214) 8.889 4.464 ( -6.461 0.844 -0.457) 6.532 4.531 ( -5.287 2.046 -8.277) 10.032 4.592 ( -0.561 4.522 0.491) 4.583 4.599 ( 1.890 0.253 6.747) 7.011 4.681 ( -1.805 4.197 2.400) 5.160 4.785 ( -3.711 -0.978 4.571) 5.968 4.852 ( 2.749 1.496 1.846) 3.634 4.920 ( -3.688 3.685 -3.011) 6.021 5.044 ( -2.589 5.037 3.027) 6.422 5.083 ( 2.484 -0.914 1.531) 3.058 5.181 ( 1.825 0.009 5.845) 6.124 5.211 ( 2.469 0.415 1.768) 3.065 5.308 ( -2.399 2.809 0.786) 3.777 5.363 ( -0.751 -2.497 1.400) 2.960 5.423 ( 1.285 0.201 0.336) 1.344 5.507 ( 1.133 1.678 0.596) 2.111 5.555 ( -3.880 3.893 -2.821) 6.178 5.622 ( 1.392 -0.600 -3.583) 3.890 5.644 ( 1.444 -0.714 -3.840) 4.164 5.737 ( -1.467 1.358 1.406) 2.444 5.794 ( 1.039 4.574 -2.174) 5.170 5.872 ( 2.842 -0.699 1.827) 3.450 5.960 ( 2.978 1.151 2.139) 3.843 6.040 ( 1.424 0.645 4.258) 4.536 6.060 ( -0.213 3.455 0.301) 3.474 6.126 ( -2.459 1.158 3.325) 4.295 6.211 ( 0.333 1.627 -5.107) 5.371 6.274 ( -0.606 2.269 -2.189) 3.211 6.324 ( -2.141 -2.614 0.551) 3.424 6.361 ( -3.303 -0.286 -1.151) 3.509 6.439 ( -3.004 -2.435 -4.249) 5.745 6.504 ( -0.292 2.249 1.489) 2.713 6.576 ( -1.399 -3.186 2.234) 4.135 6.615 ( -1.050 2.435 -0.539) 2.706 6.740 ( 3.767 -4.219 -2.929) 6.369 6.823 ( 0.066 -4.941 -1.047) 5.051 6.870 ( -0.791 -2.292 1.349) 2.775 7.352 ( -2.614 5.508 -1.125) 6.199 7.384 ( -2.005 -1.086 -0.660) 2.374 7.516 ( -1.994 1.636 0.038) 2.580 7.562 ( 5.089 1.011 0.005) 5.188 7.664 ( 0.460 1.404 1.705) 2.256 7.775 ( 2.467 0.368 -0.697) 2.590 7.803 ( -0.697 -0.702 -0.149) 1.000 7.957 ( 2.471 1.650 -3.013) 4.231 8.580 ( -0.282 6.128 2.196) 6.515 9.004 ( 3.476 -5.354 -4.164) 7.621 9.760 ( -3.850 -0.179 3.960) 5.526 9.951 ( -1.756 1.503 0.351) 2.338 10.145 ( 5.860 -3.385 -1.069) 6.851 10.263 ( -0.624 -1.120 -12.049) 12.117 12.768 ( -1.774 0.783 -0.164) 1.946 12.849 ( 1.593 -0.356 -1.053) 1.943 12.910 ( -0.898 -2.074 0.293) 2.279 12.930 ( -0.657 -1.964 1.210) 2.399 12.995 ( 0.221 1.018 0.255) 1.073 13.054 ( 0.228 1.258 0.224) 1.298 13.077 ( -0.230 -0.949 -1.384) 1.694 13.123 ( 2.012 -1.301 0.023) 2.396 13.569 ( -1.345 -0.178 1.783) 2.241 13.627 ( -1.174 -1.732 0.762) 2.228 13.660 ( -0.336 0.284 -0.118) 0.455 13.722 ( -1.137 -1.321 0.917) 1.969 13.761 ( 0.721 0.662 -0.092) 0.983 13.771 ( 2.127 0.281 -1.054) 2.390 13.856 ( -0.915 2.440 0.016) 2.606 13.899 ( -1.138 1.074 -1.816) 2.397 17.218 ( -1.496 0.062 2.702) 3.089 17.298 ( -2.018 -2.602 1.809) 3.757 17.364 ( -1.061 0.927 0.213) 1.425 17.458 ( 0.304 -0.997 -0.293) 1.083 17.682 ( 0.598 -0.967 0.034) 1.138 17.721 ( -0.140 -1.193 -1.439) 1.874 17.744 ( -0.455 -1.057 -0.832) 1.420 17.772 ( 0.236 -0.801 -0.822) 1.172 17.822 ( -1.654 0.637 -0.018) 1.773 17.868 ( -0.907 0.160 -0.664) 1.136 17.916 ( -0.458 0.881 -0.833) 1.296 17.989 ( 3.625 -0.066 -1.165) 3.808 18.028 ( 0.582 -2.314 0.458) 2.429 18.073 ( 1.259 -0.672 -0.375) 1.476 18.215 ( -2.027 -0.575 1.213) 2.431 18.263 ( 0.083 0.753 0.138) 0.770 18.349 ( -2.918 0.076 4.060) 5.000 18.418 ( -1.034 2.063 1.048) 2.534 18.481 ( 1.307 0.196 1.883) 2.300 18.494 ( -1.392 -0.880 -0.669) 1.778 18.539 ( 0.262 3.234 1.142) 3.440 18.613 ( 1.567 1.525 0.481) 2.239 18.659 ( 0.996 1.548 -1.435) 2.334 18.724 ( 1.824 -0.263 -0.371) 1.880 28.544 ( -0.680 0.098 0.166) 0.706 28.559 ( -0.153 -0.198 -0.183) 0.310 28.577 ( 0.489 0.468 -0.110) 0.685 28.608 ( 1.200 -0.139 -0.509) 1.311 28.873 ( -0.393 0.281 0.694) 0.845 28.926 ( -0.106 -0.535 -0.649) 0.848 28.939 ( -0.144 -0.149 0.219) 0.301 28.948 ( 0.448 -0.046 -0.251) 0.516 30.999 ( 1.170 3.865 3.385) 5.270 31.038 ( 1.625 2.495 -0.319) 2.994 31.411 ( -2.485 0.775 -1.463) 2.985 31.445 ( 3.236 1.324 -0.619) 3.551 31.542 ( 7.062 -1.318 -0.207) 7.187 31.722 ( 5.923 8.549 -5.874) 11.945 31.889 ( 3.214 -6.299 6.571) 9.653 32.173 ( 2.019 -3.827 -3.785) 5.749 32.531 ( 1.636 5.812 1.009) 6.122 32.605 ( -5.638 0.044 3.141) 6.454 32.734 ( 1.909 4.436 -5.577) 7.377 32.891 ( -0.302 2.861 -0.226) 2.885 33.052 ( 2.539 -3.865 -1.862) 4.985 33.152 ( 2.556 3.424 -6.026) 7.387 33.430 ( 2.636 -2.883 3.585) 5.302 33.524 ( -7.794 -1.503 0.208) 7.941 33.573 ( 4.355 -3.692 0.731) 5.756 33.700 ( 0.518 -5.612 -2.118) 6.021 34.254 ( -6.498 4.287 9.994) 12.668 34.501 ( 0.198 0.293 2.781) 2.804 34.553 ( -1.326 -2.691 1.501) 3.355 34.628 ( -1.224 -5.875 6.235) 8.654 34.896 ( -5.266 0.066 -6.447) 8.325 34.912 ( -7.362 0.746 -3.129) 8.034 ======================= Grid point 73 (39/66) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 2.553 -4.481 12.566) 13.584 1.566 ( -3.895 -0.573 8.711) 9.559 1.617 ( -11.292 0.234 3.874) 11.940 1.785 ( 2.976 -4.317 -1.500) 5.454 1.818 ( -6.428 1.703 -1.116) 6.742 1.971 ( -1.787 3.102 4.867) 6.042 2.103 ( 4.933 -3.903 1.852) 6.558 2.233 ( 5.907 4.348 5.135) 8.953 2.314 ( 1.406 -9.381 3.237) 10.023 2.380 ( -2.508 -1.105 -3.485) 4.434 2.487 ( 3.632 6.805 -4.435) 8.898 2.518 ( -3.249 0.477 -0.584) 3.335 2.686 ( -0.076 -6.049 -4.242) 7.389 2.768 ( 5.819 -4.495 -4.582) 8.663 2.832 ( -5.756 -1.298 -5.045) 7.763 2.862 ( -3.429 0.901 8.941) 9.618 2.917 ( 7.811 4.076 3.475) 9.471 3.025 ( -5.838 -0.677 -0.533) 5.902 3.090 ( 3.944 -3.868 4.665) 7.231 3.209 ( -2.045 -4.606 0.680) 5.085 3.261 ( -2.335 -0.549 -0.226) 2.410 3.294 ( 0.703 -1.300 4.324) 4.570 3.359 ( -1.166 0.664 4.499) 4.695 3.439 ( 1.599 -1.032 -0.243) 1.918 3.486 ( 7.209 1.250 2.745) 7.815 3.592 ( 5.692 -1.487 -5.125) 7.803 3.655 ( 0.592 -20.744 -4.460) 21.226 3.683 ( 1.351 -1.505 2.702) 3.375 3.783 ( -2.542 -5.633 1.664) 6.400 3.856 ( -2.454 5.079 -1.921) 5.959 3.906 ( 6.288 -0.620 -1.025) 6.401 3.941 ( 0.949 4.809 -3.134) 5.818 3.983 ( 2.367 3.845 -1.134) 4.655 4.058 ( -1.596 -2.823 3.720) 4.935 4.106 ( -3.576 -3.341 -5.486) 7.352 4.183 ( -9.633 2.030 -4.159) 10.687 4.278 ( -1.387 2.565 1.246) 3.172 4.329 ( -6.787 2.993 -1.316) 7.534 4.365 ( 1.866 1.654 -6.106) 6.596 4.400 ( -1.715 1.887 -2.593) 3.637 4.457 ( -0.885 2.681 2.500) 3.771 4.586 ( -0.965 2.564 1.152) 2.972 4.642 ( -2.380 -3.556 2.061) 4.750 4.708 ( 1.973 2.908 5.653) 6.656 4.822 ( 6.104 -2.908 -2.787) 7.313 4.876 ( 0.336 6.637 1.942) 6.923 4.918 ( 3.211 2.382 0.119) 4.000 5.048 ( -0.019 3.286 -0.885) 3.404 5.136 ( 1.815 -5.164 2.890) 6.190 5.198 ( -1.783 4.764 -2.883) 5.847 5.267 ( 2.487 -2.864 5.409) 6.607 5.316 ( 0.868 1.925 4.742) 5.191 5.361 ( -0.714 -1.206 0.837) 1.632 5.404 ( -2.908 -4.477 -1.514) 5.549 5.496 ( 0.652 3.216 -1.378) 3.559 5.545 ( 0.666 1.274 1.389) 1.999 5.595 ( -0.916 1.116 -3.378) 3.674 5.606 ( -1.739 1.330 -4.039) 4.594 5.745 ( 0.509 -0.173 2.929) 2.978 5.842 ( 3.034 4.862 1.074) 5.831 5.903 ( -1.194 1.068 1.313) 2.072 6.019 ( 1.321 2.105 -0.067) 2.486 6.046 ( -0.494 0.809 2.586) 2.754 6.111 ( -0.668 2.819 2.106) 3.581 6.124 ( 1.658 0.615 7.174) 7.389 6.179 ( 1.173 3.064 -4.531) 5.594 6.250 ( 0.956 2.633 -3.276) 4.310 6.272 ( -4.240 -2.783 -0.251) 5.077 6.328 ( -0.245 -2.250 0.957) 2.457 6.388 ( 1.699 -0.108 -4.986) 5.268 6.502 ( -2.310 2.327 4.013) 5.182 6.555 ( -2.306 -1.379 0.593) 2.752 6.610 ( 0.182 1.095 0.797) 1.366 6.748 ( -2.451 -4.301 1.128) 5.077 6.804 ( -1.276 -4.117 -3.430) 5.509 6.863 ( 3.145 -1.817 -6.519) 7.463 7.318 ( -0.703 4.770 -0.223) 4.827 7.367 ( -0.217 1.590 -0.621) 1.721 7.472 ( -1.688 1.492 0.343) 2.279 7.642 ( 1.386 -1.850 3.036) 3.816 7.675 ( 1.231 0.001 -1.369) 1.841 7.765 ( -1.944 1.269 0.020) 2.322 7.831 ( 3.402 -1.565 -2.050) 4.269 7.948 ( -0.518 0.409 -3.488) 3.550 8.595 ( -0.974 5.906 4.081) 7.244 9.053 ( 5.220 -5.645 -3.669) 8.520 9.696 ( -5.032 0.754 0.946) 5.175 9.925 ( -1.678 0.605 -1.258) 2.183 10.174 ( -0.187 -3.517 -6.809) 7.666 10.252 ( 7.769 -0.321 -1.892) 8.003 12.745 ( -0.790 0.881 0.357) 1.236 12.865 ( 1.110 -0.261 -0.951) 1.485 12.897 ( -0.602 -2.449 0.043) 2.522 12.923 ( -1.094 -1.431 0.883) 2.006 12.998 ( 0.181 0.983 -0.558) 1.145 13.047 ( -0.512 0.760 -0.617) 1.105 13.078 ( 0.845 0.383 -0.155) 0.941 13.149 ( 0.925 -1.229 -0.235) 1.557 13.557 ( -1.408 -0.293 1.696) 2.224 13.615 ( -1.172 -2.117 1.331) 2.762 13.664 ( 0.740 -0.495 -0.042) 0.891 13.706 ( -1.301 -1.502 0.794) 2.140 13.771 ( 0.610 1.142 -0.417) 1.360 13.803 ( 2.193 0.221 -0.875) 2.372 13.836 ( -1.084 1.777 -0.089) 2.084 13.862 ( -1.646 1.329 -1.487) 2.586 17.217 ( -1.001 -0.082 2.823) 2.996 17.274 ( -2.288 -1.830 2.271) 3.707 17.354 ( -0.292 0.980 -0.123) 1.030 17.454 ( -0.308 -0.801 -0.662) 1.083 17.693 ( 0.655 -1.661 -0.079) 1.787 17.717 ( 0.595 -1.167 -0.614) 1.447 17.726 ( -0.775 -0.809 -0.835) 1.397 17.775 ( 0.531 -0.733 -0.655) 1.117 17.802 ( -0.291 0.158 -0.416) 0.532 17.851 ( -0.561 0.123 -0.901) 1.069 17.892 ( -1.070 1.237 -0.105) 1.639 18.004 ( -1.368 -2.189 -0.353) 2.605 18.044 ( 1.320 -0.784 0.175) 1.545 18.087 ( 0.809 -0.559 -0.233) 1.011 18.218 ( 0.510 0.756 2.308) 2.481 18.274 ( 0.777 1.553 0.155) 1.744 18.348 ( -0.509 -0.895 2.775) 2.960 18.398 ( -1.582 -0.155 0.276) 1.614 18.473 ( -0.034 1.027 -0.937) 1.390 18.514 ( 0.541 -0.129 1.275) 1.391 18.543 ( -0.964 3.425 2.101) 4.133 18.629 ( 0.113 2.676 -0.230) 2.688 18.680 ( 2.141 0.787 -0.915) 2.458 18.751 ( 1.169 -0.887 0.229) 1.485 28.532 ( -0.678 0.115 0.033) 0.688 28.554 ( -0.114 -0.364 -0.448) 0.588 28.583 ( 0.319 0.575 -0.089) 0.664 28.619 ( 0.647 -0.152 -0.882) 1.104 28.873 ( -0.225 0.139 0.747) 0.793 28.918 ( -0.257 -0.693 -0.449) 0.865 28.938 ( -0.145 0.065 0.333) 0.369 28.956 ( 0.688 -0.013 -0.313) 0.756 31.012 ( -2.361 3.516 2.267) 4.804 31.057 ( 1.080 1.764 -1.385) 2.489 31.374 ( -0.089 1.809 -2.018) 2.712 31.480 ( 3.452 -0.745 -3.829) 5.209 31.645 ( 4.607 0.655 -0.330) 4.665 31.772 ( 4.227 8.023 -5.070) 10.389 31.985 ( 0.696 -8.407 5.386) 10.009 32.205 ( 4.672 -4.129 -3.633) 7.217 32.536 ( -3.567 2.104 2.017) 4.607 32.590 ( 3.388 4.620 2.613) 6.297 32.746 ( 3.451 6.078 -4.230) 8.170 32.891 ( -0.363 2.903 1.706) 3.387 33.100 ( 3.025 -2.145 -0.342) 3.724 33.150 ( 2.386 1.346 -5.557) 6.196 33.396 ( -4.871 0.718 1.274) 5.085 33.499 ( 1.051 -4.834 0.365) 4.960 33.588 ( -0.190 -1.594 -1.336) 2.088 33.766 ( 4.320 -5.695 3.904) 8.144 34.170 ( -9.791 2.782 7.528) 12.660 34.482 ( -7.074 -6.060 5.518) 10.827 34.570 ( 5.227 0.145 -0.922) 5.310 34.669 ( 1.218 -3.452 0.022) 3.660 34.713 ( -7.299 0.752 -4.366) 8.538 34.814 ( -4.958 1.138 1.173) 5.220 ======================= Grid point 74 (40/66) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -18.959 4.783 3.176) 19.809 1.419 ( -15.186 2.374 8.771) 17.696 1.666 ( -6.621 -0.136 1.712) 6.840 1.779 ( 3.915 1.632 1.110) 4.384 1.835 ( 3.223 -9.146 7.241) 12.103 2.000 ( 1.244 -0.342 3.455) 3.688 2.160 ( -6.383 -5.016 -1.470) 8.250 2.241 ( 0.509 -0.907 3.677) 3.821 2.358 ( -1.642 -2.082 -0.798) 2.769 2.407 ( -3.360 2.443 -2.167) 4.685 2.450 ( 4.123 1.691 3.170) 5.469 2.572 ( 2.418 -5.601 1.734) 6.343 2.594 ( -1.400 -0.428 -6.448) 6.612 2.724 ( -0.190 -3.882 -2.995) 4.907 2.830 ( -6.455 -4.300 2.647) 8.196 2.870 ( 7.662 -2.685 -6.826) 10.607 2.945 ( 3.740 -1.616 0.915) 4.175 3.059 ( -4.115 1.933 -5.607) 7.218 3.130 ( 2.468 -0.461 5.667) 6.198 3.178 ( -1.411 3.661 8.769) 9.606 3.288 ( -0.874 -5.952 2.246) 6.421 3.319 ( -0.528 -0.498 6.975) 7.012 3.327 ( -2.181 -2.709 -1.992) 4.008 3.476 ( -0.169 -5.370 4.087) 6.751 3.604 ( 0.803 -4.202 -0.683) 4.332 3.631 ( 2.582 -7.081 -2.212) 7.855 3.651 ( 4.296 1.615 1.647) 4.877 3.751 ( 3.650 -0.164 -0.352) 3.671 3.763 ( -2.083 -0.138 -1.655) 2.664 3.792 ( 0.791 1.300 -1.696) 2.279 3.838 ( -10.385 2.093 -4.660) 11.573 3.950 ( -1.892 1.197 -2.908) 3.670 3.998 ( 1.991 -1.929 -2.557) 3.772 4.024 ( 0.204 -8.242 -3.329) 8.891 4.086 ( -1.258 2.618 3.722) 4.721 4.116 ( 7.144 3.657 0.254) 8.029 4.245 ( 0.392 4.401 -0.071) 4.419 4.281 ( -0.848 1.215 -2.570) 2.967 4.353 ( -0.696 -3.058 0.226) 3.145 4.409 ( -1.005 6.491 3.237) 7.323 4.451 ( 0.427 5.642 0.600) 5.690 4.563 ( -0.383 -3.145 2.455) 4.008 4.634 ( 2.647 -0.063 -5.442) 6.052 4.766 ( -0.126 0.099 2.638) 2.643 4.841 ( 1.821 3.618 -3.005) 5.044 4.929 ( 1.315 1.976 -3.353) 4.108 4.972 ( 1.026 9.104 2.312) 9.449 5.010 ( 0.198 -0.375 -1.684) 1.737 5.172 ( 1.116 -2.323 2.710) 3.740 5.209 ( 1.928 1.634 1.621) 3.003 5.297 ( -5.221 0.213 2.973) 6.012 5.321 ( -1.694 -3.560 2.031) 4.435 5.357 ( -0.366 -2.777 2.035) 3.462 5.415 ( 2.139 -4.195 4.393) 6.440 5.504 ( -0.973 0.998 -1.982) 2.423 5.521 ( 0.293 2.477 -4.853) 5.456 5.563 ( 1.901 0.953 -0.793) 2.270 5.605 ( 0.122 3.252 2.378) 4.030 5.753 ( -3.306 1.458 2.637) 4.473 5.836 ( -2.971 2.330 2.966) 4.802 5.916 ( 2.590 1.193 0.737) 2.945 6.014 ( -2.163 3.274 0.522) 3.958 6.065 ( 1.434 1.572 1.218) 2.452 6.153 ( 2.775 2.774 1.645) 4.255 6.171 ( -1.405 0.175 -1.914) 2.381 6.182 ( 0.274 -1.860 -2.863) 3.425 6.216 ( 0.883 -1.561 2.740) 3.275 6.267 ( 3.280 2.260 -1.906) 4.416 6.346 ( 1.349 0.252 0.500) 1.460 6.413 ( 3.080 -0.424 -1.936) 3.663 6.486 ( -2.807 2.300 2.601) 4.465 6.520 ( -2.516 -1.367 1.849) 3.408 6.635 ( 2.557 2.618 0.601) 3.708 6.691 ( -3.124 -1.647 -0.662) 3.593 6.735 ( -2.667 -4.774 -3.765) 6.639 6.879 ( 3.670 -3.949 -6.304) 8.295 7.319 ( 0.008 6.223 -0.135) 6.224 7.352 ( 0.721 3.335 -1.042) 3.567 7.496 ( 2.832 -0.847 1.863) 3.494 7.611 ( -4.004 -2.077 -1.121) 4.648 7.688 ( -1.074 1.010 0.747) 1.653 7.766 ( 1.548 -0.168 1.238) 1.990 7.851 ( -0.665 -0.310 -0.898) 1.160 7.898 ( -1.064 -1.615 -4.498) 4.896 8.599 ( -2.460 5.603 4.962) 7.878 9.134 ( 7.569 -6.758 -2.849) 10.539 9.634 ( -2.037 1.122 0.329) 2.349 9.850 ( -3.026 -3.075 -7.529) 8.678 10.164 ( 0.648 -0.302 0.505) 0.875 10.370 ( 8.136 2.184 -4.701) 9.647 12.750 ( 0.733 0.632 0.996) 1.389 12.865 ( -0.086 -0.871 -2.184) 2.353 12.887 ( -0.738 -1.286 0.784) 1.677 12.918 ( 0.527 -1.404 -0.188) 1.512 12.995 ( 0.080 1.118 -0.452) 1.209 13.032 ( -0.722 1.061 -1.074) 1.673 13.095 ( 0.738 -0.067 0.927) 1.187 13.150 ( -0.433 -0.972 -0.583) 1.214 13.550 ( -0.881 -0.892 1.466) 1.929 13.612 ( 0.013 -2.629 1.302) 2.934 13.677 ( 0.474 -0.725 -0.277) 0.909 13.695 ( -0.283 -0.844 0.725) 1.148 13.773 ( -0.492 1.565 -0.029) 1.640 13.804 ( -1.007 1.074 -0.054) 1.473 13.825 ( -0.910 1.491 -1.336) 2.199 13.853 ( 2.744 0.260 -0.833) 2.879 17.224 ( -0.697 -0.236 2.803) 2.898 17.259 ( -1.571 -1.147 2.877) 3.473 17.351 ( 0.089 0.899 -0.203) 0.926 17.443 ( -0.068 -0.638 -1.129) 1.298 17.697 ( -0.403 -1.016 -0.468) 1.189 17.716 ( 0.818 -2.280 0.225) 2.433 17.730 ( 0.995 -0.427 -0.575) 1.226 17.774 ( 0.002 -0.691 -0.883) 1.121 17.806 ( 1.059 -0.859 -0.584) 1.484 17.836 ( -0.303 0.108 -0.674) 0.747 17.887 ( 0.271 0.696 0.570) 0.940 17.964 ( -2.330 -2.085 -1.575) 3.500 18.061 ( 0.361 -0.402 0.489) 0.729 18.094 ( 0.009 -0.585 -0.351) 0.683 18.249 ( 0.594 1.463 2.891) 3.294 18.285 ( 0.137 2.627 0.126) 2.634 18.354 ( -0.851 -0.291 1.472) 1.725 18.391 ( 1.042 -2.897 -0.175) 3.084 18.468 ( -0.864 1.482 0.625) 1.826 18.514 ( -0.009 1.398 -0.762) 1.592 18.548 ( -0.763 4.149 2.507) 4.907 18.633 ( 0.126 0.888 1.840) 2.047 18.695 ( 0.237 0.773 -1.144) 1.401 18.761 ( -0.372 -1.048 0.368) 1.172 28.524 ( -0.204 0.098 0.030) 0.229 28.550 ( 0.058 -0.461 -0.567) 0.733 28.586 ( -0.004 0.548 -0.042) 0.550 28.618 ( 0.096 -0.161 -1.023) 1.040 28.875 ( -0.174 -0.029 0.749) 0.769 28.912 ( 0.070 -0.658 -0.421) 0.784 28.939 ( -0.149 0.226 0.381) 0.467 28.964 ( 0.377 0.093 -0.300) 0.491 30.968 ( -3.748 2.640 1.321) 4.771 31.054 ( 0.093 1.721 -1.755) 2.460 31.364 ( -0.205 0.959 -1.130) 1.496 31.488 ( 0.514 -1.568 -4.582) 4.870 31.690 ( 0.548 0.904 -0.344) 1.112 31.795 ( 3.294 9.554 -5.364) 11.441 31.959 ( -6.398 -5.616 2.371) 8.837 32.262 ( 4.519 -3.652 -3.154) 6.611 32.512 ( -1.731 2.210 3.394) 4.405 32.684 ( 4.322 2.925 1.043) 5.322 32.788 ( 4.647 5.889 -1.028) 7.572 32.905 ( 0.240 0.650 2.010) 2.126 33.105 ( -1.596 -0.545 -0.364) 1.725 33.146 ( -0.118 -2.666 -3.348) 4.281 33.387 ( 1.991 3.476 -0.660) 4.060 33.445 ( -2.952 -3.653 -4.603) 6.577 33.639 ( 2.317 -0.355 7.264) 7.633 33.824 ( -1.933 -6.268 4.005) 7.685 34.107 ( -1.471 0.126 5.531) 5.724 34.388 ( -6.855 -6.991 2.470) 10.098 34.498 ( -7.543 3.297 -4.344) 9.308 34.697 ( 5.822 -0.052 -4.012) 7.070 34.744 ( 0.894 -0.147 2.298) 2.470 34.783 ( 4.832 -1.932 3.351) 6.190 ======================= Grid point 75 (41/66) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -15.831 5.119 7.922) 18.428 1.354 ( -6.273 11.928 19.861) 24.002 1.569 ( -5.614 -0.611 2.785) 6.297 1.717 ( -14.989 5.421 1.543) 16.013 1.893 ( -8.655 -7.622 4.280) 12.301 1.954 ( -0.719 -0.735 6.530) 6.611 2.064 ( -1.192 -7.789 2.325) 8.216 2.235 ( -1.664 1.729 4.247) 4.878 2.301 ( -2.926 1.272 -0.721) 3.271 2.451 ( 0.714 1.556 -3.917) 4.275 2.485 ( 2.598 -7.325 1.292) 7.879 2.525 ( -3.604 -1.823 0.695) 4.098 2.595 ( -4.453 -6.676 0.219) 8.028 2.751 ( 1.732 -1.718 -1.068) 2.663 2.764 ( 6.321 -5.467 1.207) 8.444 2.888 ( 2.704 3.311 -14.918) 15.519 2.977 ( -4.603 -3.236 2.024) 5.980 3.061 ( 7.405 -2.547 1.723) 8.018 3.142 ( -1.022 -4.879 5.803) 7.650 3.225 ( -0.814 -0.698 3.200) 3.375 3.253 ( -2.507 -3.678 -3.253) 5.513 3.295 ( -0.766 -2.400 1.956) 3.189 3.387 ( 1.881 1.358 0.460) 2.365 3.499 ( -7.271 2.718 5.079) 9.276 3.580 ( 4.384 0.489 6.504) 7.859 3.614 ( -5.363 -4.182 -1.368) 6.937 3.670 ( -1.463 -3.518 -4.275) 5.726 3.696 ( -1.331 0.115 -3.414) 3.666 3.749 ( 3.365 -5.729 4.050) 7.781 3.788 ( 1.545 5.050 -4.168) 6.728 3.860 ( 2.145 -4.317 -1.687) 5.107 3.910 ( 1.294 -5.165 -3.571) 6.412 3.928 ( -2.174 -5.293 -3.529) 6.723 4.025 ( 0.320 -1.670 1.210) 2.087 4.137 ( -0.763 9.004 -2.405) 9.351 4.193 ( -1.192 4.612 -2.967) 5.612 4.239 ( 1.543 -0.290 -2.806) 3.216 4.258 ( 0.877 0.784 0.666) 1.352 4.315 ( 0.610 2.480 3.272) 4.151 4.442 ( 1.748 6.789 -2.308) 7.380 4.508 ( 5.464 0.827 5.827) 8.031 4.598 ( 1.048 -5.012 -1.718) 5.401 4.704 ( 8.175 2.906 0.672) 8.702 4.765 ( 0.317 0.279 1.477) 1.536 4.806 ( -3.908 1.769 -1.405) 4.514 4.944 ( -2.496 4.874 -0.306) 5.484 4.954 ( 4.681 -0.794 -4.697) 6.679 5.069 ( 2.347 2.039 2.680) 4.104 5.147 ( -5.007 0.772 1.894) 5.409 5.183 ( -8.860 1.615 1.323) 9.103 5.274 ( -0.803 0.270 1.945) 2.121 5.304 ( 2.422 1.018 1.603) 3.078 5.395 ( -0.468 -0.056 1.708) 1.772 5.423 ( -0.028 -3.672 -1.353) 3.913 5.442 ( -3.037 1.479 -0.363) 3.397 5.537 ( 0.869 3.937 2.066) 4.531 5.602 ( 1.178 2.882 -0.950) 3.255 5.629 ( 1.321 -1.003 1.776) 2.431 5.704 ( -2.781 0.601 3.592) 4.582 5.846 ( 0.398 2.383 1.390) 2.787 5.945 ( -1.694 -0.994 3.364) 3.895 5.995 ( 0.932 4.545 -2.254) 5.158 6.084 ( -2.042 -4.104 -2.569) 5.254 6.126 ( 0.042 2.739 -0.621) 2.809 6.141 ( 0.988 -0.393 -4.207) 4.339 6.207 ( 1.328 -0.096 -1.584) 2.069 6.258 ( 1.900 -1.745 1.509) 2.988 6.322 ( 3.614 0.466 -1.853) 4.088 6.356 ( -0.646 4.309 -1.419) 4.582 6.448 ( 3.565 -4.509 -0.911) 5.820 6.477 ( 0.533 1.201 4.753) 4.931 6.520 ( -0.093 -1.746 4.440) 4.772 6.626 ( -2.405 -0.761 -1.638) 3.008 6.669 ( 0.553 2.719 -3.277) 4.294 6.739 ( 4.265 -0.995 1.228) 4.548 6.884 ( 0.807 -5.889 -2.694) 6.526 7.308 ( 0.789 6.561 -1.594) 6.797 7.402 ( 4.046 3.397 -0.802) 5.344 7.518 ( -2.359 -1.901 -0.699) 3.109 7.580 ( 2.849 0.258 1.016) 3.036 7.667 ( -1.690 1.213 1.052) 2.331 7.765 ( -4.818 -0.527 0.363) 4.860 7.812 ( -0.318 -0.276 0.900) 0.994 7.870 ( 0.421 -0.972 -3.495) 3.652 8.591 ( -2.313 5.839 4.335) 7.631 9.255 ( 8.101 -11.525 -5.169) 15.006 9.646 ( 2.142 0.839 2.804) 3.627 9.737 ( -2.657 -2.622 -6.569) 7.556 10.163 ( -1.922 2.432 0.810) 3.204 10.431 ( 4.964 5.474 -9.899) 12.353 12.778 ( 1.353 0.239 1.216) 1.834 12.838 ( -0.391 -0.664 -2.711) 2.819 12.884 ( -0.212 -0.758 0.275) 0.834 12.936 ( 1.298 -1.846 0.200) 2.265 12.998 ( 0.279 1.152 0.462) 1.272 13.007 ( -0.928 0.929 -1.275) 1.830 13.111 ( 0.192 -0.615 0.956) 1.153 13.125 ( -1.707 -0.870 -1.024) 2.172 13.549 ( -0.366 -1.033 1.548) 1.897 13.636 ( 1.487 -2.827 0.821) 3.298 13.675 ( -0.106 0.342 -0.179) 0.400 13.708 ( 0.746 -0.817 0.546) 1.234 13.753 ( -1.639 0.901 0.501) 1.936 13.778 ( -1.413 0.791 -0.816) 1.813 13.826 ( 1.350 2.578 -0.346) 2.931 13.894 ( 2.685 0.074 -1.182) 2.934 17.231 ( -0.884 -0.233 2.649) 2.802 17.267 ( -0.313 -1.324 3.633) 3.879 17.355 ( 0.599 1.060 0.054) 1.219 17.437 ( 0.429 -0.681 -1.289) 1.519 17.686 ( -0.187 -0.252 -0.565) 0.646 17.739 ( 0.581 -0.625 -0.279) 0.898 17.744 ( 1.391 -1.462 0.069) 2.019 17.768 ( 0.714 -1.623 -0.822) 1.954 17.818 ( 0.677 -0.821 -0.720) 1.285 17.831 ( 0.456 -0.360 -1.331) 1.452 17.906 ( 0.318 -0.737 0.767) 1.110 17.909 ( -1.769 -1.179 -0.943) 2.326 18.060 ( -0.722 0.386 -0.406) 0.914 18.084 ( -0.751 -0.243 0.090) 0.794 18.269 ( -0.989 1.339 1.287) 2.105 18.285 ( 0.519 2.471 0.891) 2.677 18.353 ( -0.198 -0.633 0.740) 0.994 18.417 ( 1.578 -1.954 0.243) 2.523 18.449 ( -1.584 1.282 0.731) 2.165 18.522 ( 1.534 1.765 -0.735) 2.451 18.545 ( -1.626 4.045 2.112) 4.844 18.652 ( -0.707 -1.242 0.615) 1.556 18.684 ( -0.519 0.622 2.279) 2.419 18.745 ( -1.359 -0.594 -0.459) 1.553 28.526 ( 0.369 0.065 0.135) 0.398 28.549 ( 0.375 -0.444 -0.460) 0.741 28.583 ( -0.245 0.434 0.034) 0.499 28.609 ( -0.345 -0.247 -0.939) 1.030 28.877 ( -0.240 -0.085 0.692) 0.737 28.915 ( 0.543 -0.402 -0.436) 0.804 28.939 ( -0.128 0.167 0.307) 0.372 28.964 ( -0.085 0.206 -0.300) 0.373 30.922 ( -2.501 2.749 1.939) 4.192 31.037 ( -1.057 1.593 -0.606) 2.006 31.348 ( -1.124 -0.898 -1.157) 1.846 31.418 ( -4.401 -1.019 -3.639) 5.801 31.659 ( -3.424 1.068 -0.421) 3.611 31.797 ( 1.329 10.601 -5.908) 12.209 31.853 ( -6.653 -1.321 2.660) 7.285 32.296 ( 1.113 -2.711 -1.769) 3.423 32.513 ( -1.176 2.691 2.784) 4.047 32.704 ( -0.060 4.885 -3.082) 5.776 32.898 ( 5.149 0.371 2.888) 5.915 32.936 ( 3.532 -1.830 -0.809) 4.060 33.066 ( -7.499 -5.067 1.153) 9.124 33.088 ( 0.671 -2.833 -2.443) 3.800 33.308 ( -3.023 -0.939 -7.824) 8.440 33.466 ( 2.460 7.125 0.381) 7.547 33.737 ( 1.074 0.096 9.303) 9.366 33.793 ( -3.079 -10.163 2.061) 10.817 34.165 ( -0.082 0.799 7.344) 7.388 34.328 ( 0.965 -4.979 -0.899) 5.151 34.396 ( -1.793 3.274 0.099) 3.734 34.648 ( -4.001 -0.539 0.001) 4.037 34.889 ( 10.607 -0.645 -3.015) 11.046 34.931 ( 9.267 -1.771 1.369) 9.533 ======================= Grid point 76 (42/66) ======================= q-point: (-0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -5.629 3.936 18.774) 19.991 1.231 ( -21.439 10.104 14.432) 27.749 1.518 ( -11.726 2.940 10.602) 16.079 1.608 ( 1.551 9.911 17.071) 19.800 1.885 ( 0.091 -8.383 11.473) 14.209 1.982 ( -0.043 -6.725 0.803) 6.773 2.044 ( -1.498 -2.214 4.293) 5.057 2.231 ( -1.665 4.136 -0.049) 4.459 2.292 ( 0.019 1.712 0.940) 1.954 2.396 ( -4.086 -1.635 -0.970) 4.507 2.462 ( 2.134 -1.659 -3.778) 4.645 2.482 ( 1.025 -4.099 2.246) 4.785 2.651 ( 3.688 -4.897 -0.117) 6.132 2.710 ( 0.854 4.959 -0.682) 5.078 2.804 ( -6.237 -3.311 -4.180) 8.206 2.872 ( 0.180 -9.912 -4.265) 10.792 3.002 ( 4.654 -6.225 5.247) 9.378 3.110 ( -7.958 -1.710 1.122) 8.217 3.163 ( 3.212 -4.563 -0.832) 5.642 3.193 ( 0.134 -0.990 -2.180) 2.398 3.248 ( 2.535 -2.704 2.000) 4.212 3.328 ( -0.327 2.748 3.833) 4.728 3.397 ( 1.158 -1.808 3.301) 3.937 3.422 ( -1.057 -0.326 2.077) 2.353 3.525 ( -1.431 -0.715 -5.640) 5.863 3.596 ( -4.093 -2.820 -5.208) 7.199 3.656 ( 2.768 -6.554 -2.477) 7.534 3.670 ( -6.450 -0.992 -6.111) 8.940 3.727 ( 0.236 2.665 -7.239) 7.717 3.814 ( 2.530 -0.377 2.410) 3.515 3.903 ( -0.406 -1.423 -3.357) 3.669 3.920 ( 6.450 -0.453 2.740) 7.023 3.947 ( 4.020 -6.721 3.725) 8.673 4.017 ( -4.226 2.443 -2.054) 5.295 4.076 ( 1.464 -1.328 2.917) 3.524 4.128 ( -0.355 -1.357 -3.395) 3.673 4.238 ( -1.787 -2.884 0.715) 3.468 4.338 ( 4.410 7.680 1.612) 9.002 4.396 ( 5.598 7.906 -1.540) 9.809 4.470 ( 3.124 5.353 -1.301) 6.333 4.575 ( -1.323 0.346 -0.008) 1.368 4.636 ( 2.479 -0.812 6.256) 6.778 4.723 ( -3.533 -3.816 0.376) 5.214 4.802 ( -0.654 -0.758 -1.310) 1.649 4.823 ( 0.652 -1.011 -0.173) 1.216 4.908 ( 0.664 3.703 3.447) 5.102 4.920 ( -5.631 -4.686 -3.803) 8.254 5.029 ( -0.226 5.198 -2.540) 5.790 5.099 ( -3.429 9.634 4.355) 11.115 5.140 ( -2.768 0.956 2.784) 4.040 5.243 ( 0.255 -0.434 1.004) 1.123 5.338 ( -2.400 1.781 -0.226) 2.997 5.378 ( -1.074 5.779 -3.736) 6.964 5.418 ( 3.909 1.297 3.064) 5.133 5.434 ( -1.691 -5.427 2.274) 6.122 5.550 ( -0.514 3.579 1.063) 3.769 5.623 ( 1.310 -2.026 -1.770) 2.992 5.642 ( 2.241 2.404 -2.888) 4.375 5.728 ( 0.289 -0.290 6.846) 6.859 5.830 ( -2.960 2.837 0.408) 4.120 5.919 ( -1.924 0.751 -4.004) 4.506 5.975 ( -1.450 1.170 -1.964) 2.707 6.019 ( -0.870 -2.452 -3.667) 4.496 6.090 ( -2.197 -1.163 -0.293) 2.503 6.154 ( 0.825 4.365 -1.775) 4.783 6.223 ( 2.708 0.452 -0.691) 2.831 6.270 ( -0.233 0.039 -3.615) 3.622 6.326 ( -0.602 2.023 1.389) 2.527 6.393 ( 3.880 -6.251 0.002) 7.357 6.494 ( -2.202 -3.914 1.911) 4.880 6.529 ( 3.874 -0.708 4.159) 5.727 6.588 ( -0.464 -0.603 0.376) 0.849 6.604 ( 4.247 1.606 0.181) 4.544 6.656 ( 1.483 1.666 -4.733) 5.232 6.814 ( 2.744 -0.109 1.970) 3.380 6.865 ( -2.100 -7.828 0.677) 8.133 7.344 ( 5.013 6.257 -1.895) 8.238 7.420 ( 1.112 1.405 -2.707) 3.246 7.507 ( -1.339 -0.416 -0.302) 1.434 7.611 ( -1.860 1.872 -1.052) 2.841 7.649 ( 0.153 2.245 0.418) 2.289 7.712 ( -0.149 -1.456 1.583) 2.156 7.815 ( -0.499 -0.131 1.017) 1.140 7.860 ( 1.177 1.053 -0.986) 1.862 8.585 ( -1.593 6.012 2.792) 6.817 9.211 ( -5.134 -12.392 -13.526) 19.049 9.702 ( 1.643 0.117 3.749) 4.095 9.798 ( 9.188 -3.893 5.758) 11.521 10.114 ( -3.200 4.921 -1.128) 5.977 10.402 ( 2.765 7.539 -13.697) 15.877 12.801 ( 0.468 -0.035 0.431) 0.638 12.823 ( 0.687 -0.120 -1.966) 2.086 12.888 ( 0.424 -1.231 0.533) 1.407 12.950 ( -0.172 -0.944 0.378) 1.031 12.993 ( -0.098 0.800 0.194) 0.829 13.018 ( 1.705 -0.345 0.555) 1.826 13.081 ( -2.012 -0.936 -1.146) 2.498 13.116 ( -0.304 -0.901 0.355) 1.015 13.561 ( 0.150 -0.231 1.685) 1.707 13.655 ( 0.129 -2.246 -0.220) 2.260 13.676 ( 0.060 0.457 0.269) 0.534 13.721 ( 0.357 -1.008 0.579) 1.216 13.736 ( -0.361 0.610 0.139) 0.722 13.755 ( -0.513 0.751 -0.361) 0.979 13.850 ( 1.339 2.996 -0.059) 3.283 13.922 ( 1.670 0.341 -1.749) 2.442 17.232 ( -1.300 -0.105 2.599) 2.908 17.294 ( 0.301 -2.465 2.725) 3.686 17.373 ( 0.890 0.847 0.880) 1.511 17.439 ( 0.826 -0.733 -0.977) 1.475 17.680 ( 0.003 0.141 -0.939) 0.950 17.743 ( 0.419 -0.471 -0.770) 0.995 17.758 ( 0.890 -0.399 -0.373) 1.044 17.788 ( 0.918 -1.856 -1.092) 2.341 17.828 ( 1.281 -0.824 -1.231) 1.959 17.831 ( 1.359 -0.402 -0.383) 1.468 17.881 ( 0.247 -0.252 0.354) 0.500 17.924 ( -0.748 -1.806 1.414) 2.413 18.037 ( -0.822 0.482 -1.061) 1.426 18.071 ( -1.037 0.389 0.319) 1.153 18.249 ( -1.354 1.091 0.336) 1.771 18.305 ( 0.436 0.305 0.236) 0.582 18.359 ( -0.099 0.934 2.093) 2.294 18.423 ( -0.883 0.546 0.981) 1.429 18.455 ( 1.220 -0.599 0.484) 1.442 18.518 ( -2.039 2.840 0.887) 3.607 18.553 ( 1.120 1.037 0.455) 1.593 18.615 ( -2.163 -0.085 -1.367) 2.560 18.688 ( -2.525 -0.883 2.352) 3.562 18.720 ( -0.599 -0.083 -1.182) 1.327 28.537 ( 0.646 0.059 0.217) 0.684 28.556 ( 0.588 -0.345 -0.122) 0.693 28.579 ( -0.311 0.337 0.027) 0.460 28.593 ( -0.611 -0.134 -0.632) 0.889 28.877 ( -0.343 0.068 0.669) 0.755 28.922 ( 0.731 -0.109 -0.674) 1.000 28.939 ( -0.022 -0.177 0.155) 0.236 28.957 ( -0.409 0.183 -0.246) 0.512 30.921 ( -0.129 3.148 3.009) 4.357 31.019 ( -0.793 2.144 1.488) 2.727 31.252 ( -5.430 1.207 -0.041) 5.563 31.397 ( 1.910 -1.685 1.019) 2.743 31.588 ( -4.354 1.629 -0.018) 4.649 31.748 ( -0.504 11.331 -7.480) 13.587 31.803 ( -2.809 -0.900 4.642) 5.499 32.265 ( -3.012 -2.340 -1.656) 4.158 32.509 ( -1.427 3.768 2.367) 4.672 32.681 ( 0.238 3.508 -2.509) 4.320 32.900 ( -7.670 -3.291 -1.276) 8.443 32.952 ( 0.087 -2.368 -4.196) 4.819 33.005 ( 3.630 -2.902 -1.504) 4.885 33.135 ( 3.942 -3.496 1.041) 5.370 33.235 ( 1.148 0.876 -4.359) 4.592 33.487 ( -0.332 5.280 1.244) 5.435 33.753 ( -4.083 -5.036 3.662) 7.446 33.774 ( -1.494 -6.543 -0.492) 6.729 34.197 ( -1.763 2.999 9.265) 9.897 34.395 ( 5.103 -0.618 0.322) 5.150 34.446 ( 3.477 -0.829 6.190) 7.148 34.594 ( -2.059 -1.714 0.064) 2.679 35.009 ( 6.308 -0.589 -5.079) 8.120 35.069 ( 6.169 -2.650 -4.035) 7.833 ======================= Grid point 77 (43/66) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -3.352 13.831 11.909) 18.556 1.336 ( 2.630 5.211 9.888) 11.482 1.505 ( 0.098 0.612 9.591) 9.611 1.663 ( -0.957 -12.758 7.544) 14.852 1.895 ( -0.220 -1.968 7.380) 7.641 1.912 ( -1.282 2.159 6.462) 6.933 2.018 ( -3.196 5.136 3.404) 6.941 2.233 ( -4.661 -11.088 4.474) 12.833 2.263 ( -1.229 0.800 4.607) 4.835 2.406 ( -0.303 -1.357 -3.872) 4.114 2.422 ( -2.802 0.347 5.289) 5.995 2.486 ( 1.757 -1.781 2.829) 3.777 2.578 ( 5.776 -2.450 -3.750) 7.309 2.679 ( 1.149 -4.034 -4.120) 5.880 2.749 ( 3.439 7.893 1.596) 8.756 2.867 ( 1.670 0.280 6.646) 6.858 2.922 ( -1.989 -1.306 3.688) 4.389 2.992 ( -0.559 -2.480 3.006) 3.937 3.119 ( 2.863 -1.019 -2.429) 3.890 3.178 ( -1.298 -3.122 -1.617) 3.748 3.268 ( 0.631 -2.279 -3.854) 4.522 3.320 ( -3.137 -5.191 -4.921) 7.810 3.396 ( -2.051 -0.523 6.476) 6.813 3.414 ( -0.592 -2.254 3.867) 4.515 3.499 ( 1.185 4.796 -5.079) 7.086 3.520 ( -1.497 8.801 2.584) 9.294 3.563 ( -1.098 2.860 -4.262) 5.248 3.655 ( -0.758 -0.830 -4.816) 4.945 3.671 ( 1.633 1.754 -2.964) 3.811 3.786 ( 0.957 -3.322 -1.093) 3.626 3.831 ( -1.126 -2.971 -1.911) 3.707 3.850 ( -2.274 -5.259 -9.688) 11.255 3.911 ( 4.862 -4.776 -1.387) 6.956 3.956 ( 0.953 -6.588 2.692) 7.180 4.103 ( 3.538 4.341 0.307) 5.608 4.141 ( 1.622 0.711 -2.518) 3.079 4.250 ( 2.492 0.446 2.261) 3.394 4.347 ( -1.110 -6.960 0.723) 7.085 4.515 ( -1.312 0.716 1.378) 2.033 4.573 ( -0.187 -1.686 1.159) 2.054 4.600 ( -2.946 4.003 1.866) 5.309 4.684 ( -0.878 0.118 4.328) 4.418 4.707 ( 0.696 4.946 -2.018) 5.387 4.770 ( 2.364 0.034 -5.160) 5.676 4.793 ( -2.222 5.688 -1.825) 6.374 4.900 ( 1.526 -1.533 2.645) 3.417 4.996 ( -1.977 2.431 0.932) 3.270 5.065 ( -2.988 -0.056 7.789) 8.343 5.131 ( -2.317 -1.095 -0.883) 2.711 5.171 ( -3.971 -1.400 1.557) 4.490 5.257 ( 1.006 4.423 0.985) 4.641 5.357 ( -0.428 -2.364 1.310) 2.736 5.405 ( -3.574 3.990 -0.997) 5.449 5.466 ( -0.611 5.697 0.218) 5.734 5.490 ( 4.907 1.431 -1.867) 5.442 5.521 ( 1.557 -3.573 -2.699) 4.740 5.690 ( -1.934 2.372 0.750) 3.151 5.717 ( -1.966 0.410 -3.254) 3.824 5.793 ( 1.885 3.662 3.423) 5.355 5.826 ( 0.623 3.436 -1.448) 3.781 5.850 ( 0.452 -1.186 -0.452) 1.347 5.913 ( 0.712 -2.746 0.552) 2.890 6.031 ( -1.539 2.552 3.682) 4.737 6.089 ( 0.878 1.629 0.983) 2.096 6.131 ( -1.712 -4.780 3.180) 5.991 6.204 ( 0.229 -7.509 -0.811) 7.556 6.258 ( 0.538 2.543 -4.577) 5.264 6.311 ( 0.316 -1.202 -2.505) 2.797 6.405 ( 0.574 3.417 0.084) 3.465 6.466 ( 2.104 3.363 1.901) 4.399 6.541 ( 0.435 -4.470 -3.863) 5.924 6.578 ( -1.666 -2.064 -2.024) 3.337 6.625 ( 1.221 -0.105 -0.257) 1.252 6.675 ( -0.187 -3.190 -2.192) 3.875 6.731 ( -1.617 4.245 0.849) 4.621 6.820 ( -0.584 -2.903 0.856) 3.082 7.418 ( -1.478 0.150 -1.851) 2.374 7.431 ( 0.434 -0.743 -2.942) 3.065 7.532 ( 2.003 4.131 0.748) 4.652 7.612 ( -0.337 -0.737 -1.781) 1.957 7.663 ( 0.705 0.906 0.130) 1.155 7.713 ( 0.672 -2.056 -1.037) 2.399 7.872 ( 0.500 4.157 4.822) 6.386 7.929 ( 2.273 -0.666 3.570) 4.284 8.721 ( 1.102 6.887 -4.147) 8.115 8.878 ( -0.366 -7.446 -5.676) 9.370 9.758 ( 0.629 0.982 4.037) 4.202 9.821 ( 2.988 -4.957 3.558) 6.794 10.208 ( -1.593 7.310 -5.742) 9.431 10.342 ( -1.004 -3.947 -11.906) 12.583 12.812 ( -0.199 0.841 -0.438) 0.969 12.824 ( 1.067 -0.219 -1.150) 1.584 12.876 ( 0.091 -0.473 0.116) 0.495 12.897 ( -1.176 -2.212 -0.220) 2.515 13.022 ( 0.426 1.510 -0.121) 1.573 13.047 ( 1.371 -0.698 -0.667) 1.677 13.054 ( 1.013 0.554 0.720) 1.360 13.078 ( -0.363 -1.480 0.153) 1.531 13.575 ( -0.704 0.556 1.311) 1.589 13.601 ( -0.926 -1.772 0.811) 2.157 13.690 ( -0.648 0.886 0.058) 1.099 13.708 ( -0.508 -0.758 0.353) 0.979 13.758 ( 0.965 0.545 -0.221) 1.130 13.763 ( 0.719 0.133 -0.480) 0.875 13.915 ( 0.155 1.655 -0.620) 1.774 13.933 ( 0.252 -0.048 -1.333) 1.357 17.232 ( -1.580 0.594 2.828) 3.293 17.256 ( -1.347 -1.756 2.835) 3.597 17.397 ( -0.189 1.076 0.141) 1.102 17.425 ( 0.464 -1.319 -0.238) 1.419 17.687 ( -0.066 0.952 -1.486) 1.766 17.708 ( -0.263 -1.158 -1.594) 1.988 17.736 ( 0.522 -0.334 -1.742) 1.849 17.751 ( 0.463 -1.465 -1.804) 2.370 17.851 ( 0.130 0.689 0.269) 0.751 17.871 ( 1.154 -0.970 -0.203) 1.521 17.895 ( 1.964 0.368 0.336) 2.026 17.909 ( 3.703 -0.970 0.239) 3.835 18.025 ( -1.028 1.001 -1.569) 2.126 18.049 ( -0.701 -1.051 -1.496) 1.958 18.249 ( -2.012 0.836 1.074) 2.429 18.269 ( -2.254 -0.945 0.746) 2.555 18.402 ( -2.089 1.625 3.340) 4.262 18.433 ( -0.709 -0.746 2.029) 2.275 18.475 ( 0.692 0.509 0.437) 0.964 18.486 ( -0.799 -0.770 0.751) 1.340 18.595 ( -0.202 2.127 1.463) 2.590 18.613 ( 0.261 0.400 0.865) 0.988 18.687 ( -0.224 1.257 -0.019) 1.277 18.707 ( 0.172 -0.461 -0.635) 0.803 28.551 ( 0.138 0.212 0.347) 0.430 28.556 ( 0.038 -0.276 0.347) 0.445 28.582 ( 0.255 0.414 -0.389) 0.623 28.589 ( 0.629 -0.204 -0.369) 0.757 28.886 ( -0.152 0.780 0.287) 0.845 28.908 ( 0.151 -1.168 -0.305) 1.217 28.943 ( -0.158 0.326 -0.064) 0.368 28.948 ( -0.374 -0.128 -0.135) 0.417 31.032 ( 2.285 3.668 1.416) 4.548 31.074 ( 1.233 0.430 0.354) 1.353 31.335 ( 5.508 1.724 4.672) 7.425 31.383 ( 2.204 -2.706 2.499) 4.293 31.587 ( -4.776 5.209 1.604) 7.247 31.718 ( -3.341 -5.879 3.747) 7.731 31.925 ( 0.822 9.395 -8.173) 12.480 32.096 ( -1.126 -6.273 -5.904) 8.688 32.658 ( -1.152 7.180 3.797) 8.203 32.694 ( -3.434 2.250 0.619) 4.152 32.747 ( -1.548 -1.611 -0.343) 2.260 32.868 ( 2.486 -7.710 -1.438) 8.227 33.022 ( 2.385 5.944 1.650) 6.614 33.166 ( 6.532 -6.203 3.684) 9.732 33.316 ( 0.883 7.201 -5.995) 9.411 33.481 ( -2.669 -5.252 -0.704) 5.933 33.589 ( -1.208 -1.918 -1.892) 2.952 33.619 ( -4.745 -2.626 0.661) 5.464 34.332 ( -0.328 4.463 8.097) 9.252 34.441 ( 1.781 -4.865 4.528) 6.881 34.505 ( -0.245 0.367 4.406) 4.428 34.529 ( -0.115 -1.032 0.609) 1.204 35.004 ( -0.476 0.111 -7.748) 7.763 35.019 ( -0.915 -1.131 -7.482) 7.622 ======================= Grid point 78 (44/66) ======================= q-point: ( 0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 2.108 9.928 14.751) 17.905 1.557 ( 7.496 -9.658 4.343) 12.974 1.624 ( 5.953 6.632 8.121) 12.057 1.763 ( 9.256 0.067 3.978) 10.075 1.860 ( -5.922 -2.810 1.931) 6.834 1.907 ( -2.299 -0.896 -1.658) 2.973 2.021 ( -1.211 5.640 8.491) 10.265 2.164 ( -6.297 -5.685 2.752) 8.919 2.294 ( 0.287 0.519 7.654) 7.677 2.364 ( 0.252 -5.774 -3.005) 6.514 2.423 ( -0.439 0.077 4.752) 4.773 2.528 ( -0.573 -0.507 0.694) 1.032 2.645 ( 3.640 -1.851 -4.343) 5.961 2.695 ( 3.939 -2.398 -1.356) 4.807 2.823 ( -0.390 2.467 4.438) 5.092 2.872 ( -6.599 3.234 3.977) 8.356 2.943 ( 2.024 -4.669 3.286) 6.057 2.960 ( 0.544 -0.482 -0.175) 0.748 3.089 ( -6.723 -2.630 -2.151) 7.532 3.134 ( -6.061 -5.655 -1.300) 8.391 3.234 ( -0.853 -1.229 0.939) 1.766 3.295 ( 0.338 -5.244 -0.883) 5.329 3.344 ( -0.537 3.312 -0.215) 3.362 3.386 ( -4.580 0.072 2.449) 5.194 3.444 ( -1.120 3.388 -2.765) 4.514 3.525 ( 1.832 -1.448 -4.058) 4.683 3.591 ( 1.889 6.203 1.739) 6.713 3.602 ( 2.455 4.586 -6.111) 8.026 3.730 ( 2.575 -3.527 -1.356) 4.572 3.778 ( 3.452 -1.681 -0.901) 3.944 3.808 ( 1.726 -9.255 -6.032) 11.181 3.857 ( 6.508 -2.880 -0.589) 7.142 4.014 ( 6.865 0.579 0.260) 6.894 4.047 ( 1.840 -0.005 4.544) 4.902 4.119 ( -1.245 3.163 -0.817) 3.496 4.192 ( 6.551 -3.182 -0.888) 7.336 4.295 ( 1.489 -0.847 0.509) 1.788 4.330 ( -0.875 -4.755 1.281) 5.002 4.486 ( -3.842 1.310 0.495) 4.089 4.517 ( -3.660 -1.465 -1.105) 4.094 4.581 ( -1.444 3.606 -4.475) 5.926 4.635 ( -0.851 0.067 -6.053) 6.113 4.693 ( -0.886 6.995 0.149) 7.053 4.743 ( -6.762 5.032 5.427) 10.025 4.787 ( 0.284 -1.246 4.479) 4.658 4.897 ( -1.991 -1.814 1.343) 3.010 5.001 ( 1.604 3.085 -1.065) 3.637 5.066 ( -2.579 -1.382 -2.474) 3.831 5.116 ( 0.551 0.704 5.381) 5.455 5.142 ( -1.198 -1.735 2.589) 3.339 5.289 ( 1.060 6.153 0.976) 6.319 5.326 ( -2.204 2.384 1.391) 3.532 5.371 ( -0.502 -2.683 1.699) 3.215 5.428 ( -3.881 0.820 -1.469) 4.230 5.520 ( -0.109 -1.311 -0.486) 1.402 5.539 ( 2.462 0.441 -2.063) 3.243 5.675 ( 0.384 2.041 0.224) 2.089 5.685 ( -0.598 1.768 -0.078) 1.868 5.782 ( -1.739 3.309 -4.170) 5.600 5.834 ( 0.227 -1.173 -1.540) 1.949 5.914 ( 4.739 3.377 1.761) 6.080 5.957 ( 3.445 -1.572 1.764) 4.178 6.042 ( -0.091 2.053 5.146) 5.541 6.105 ( -3.078 -0.099 2.280) 3.832 6.132 ( 0.344 -1.366 2.809) 3.142 6.190 ( 0.404 -6.347 -2.194) 6.727 6.258 ( 2.039 1.741 -2.863) 3.922 6.294 ( -0.520 -0.759 -1.475) 1.738 6.400 ( -0.316 4.910 -1.915) 5.280 6.465 ( -2.401 2.739 -0.716) 3.712 6.489 ( -1.010 -1.917 -0.031) 2.167 6.567 ( -1.178 -2.711 0.045) 2.956 6.623 ( -0.336 -0.686 -0.774) 1.087 6.690 ( 4.242 -3.349 -5.451) 7.676 6.710 ( -2.097 1.740 2.894) 3.975 6.804 ( -1.093 -3.911 -0.461) 4.087 7.388 ( -0.045 1.413 -1.362) 1.964 7.416 ( -0.348 -0.189 -2.092) 2.129 7.553 ( -0.036 2.647 0.116) 2.650 7.598 ( -0.538 -0.135 -0.259) 0.612 7.676 ( 1.259 1.509 -0.630) 2.064 7.734 ( 2.288 -2.910 -0.932) 3.817 7.886 ( -2.061 5.500 2.536) 6.398 7.967 ( -0.905 -1.442 2.283) 2.848 8.724 ( 2.394 6.717 -3.361) 7.883 8.869 ( 3.268 -6.615 -4.334) 8.557 9.774 ( -1.625 2.199 2.179) 3.496 9.875 ( 1.186 -6.613 0.331) 6.727 10.155 ( -0.227 4.370 -2.654) 5.118 10.241 ( -1.336 -2.455 -7.470) 7.976 12.795 ( -1.118 1.695 -0.526) 2.097 12.834 ( 0.719 -1.380 -0.913) 1.805 12.871 ( -0.787 -0.758 0.124) 1.100 12.885 ( 0.068 -1.648 0.545) 1.737 13.023 ( 0.199 1.445 -0.452) 1.526 13.053 ( -0.173 -1.200 -0.890) 1.504 13.079 ( 1.565 0.902 -0.116) 1.810 13.098 ( 2.005 -0.920 -0.090) 2.208 13.567 ( -1.420 0.246 1.594) 2.149 13.587 ( -1.471 -1.568 1.154) 2.440 13.674 ( -1.082 0.860 0.162) 1.392 13.695 ( -1.252 -1.054 0.407) 1.686 13.775 ( 1.203 0.506 -0.477) 1.390 13.779 ( 1.705 0.160 -0.815) 1.896 13.900 ( -1.253 1.443 -0.440) 1.961 13.915 ( -1.219 0.129 -1.046) 1.611 17.224 ( -1.697 0.605 2.852) 3.373 17.248 ( -1.916 -1.713 2.805) 3.805 17.391 ( -0.547 1.517 0.073) 1.614 17.427 ( 0.000 -1.711 -0.129) 1.716 17.678 ( 0.126 0.398 -1.054) 1.134 17.694 ( -0.169 -1.040 -1.039) 1.480 17.731 ( 0.333 0.039 -1.435) 1.474 17.747 ( 0.477 -1.213 -1.138) 1.730 17.839 ( -1.101 0.958 -0.615) 1.584 17.861 ( -0.680 -0.849 -0.872) 1.395 17.936 ( 0.814 1.097 -0.588) 1.487 17.966 ( 1.662 -1.676 -0.661) 2.451 18.010 ( 1.052 0.716 -0.599) 1.407 18.040 ( 1.261 -1.828 -1.063) 2.462 18.221 ( -1.331 1.016 1.204) 2.062 18.250 ( -0.422 -1.429 0.906) 1.744 18.380 ( -3.026 2.055 3.648) 5.166 18.420 ( -2.623 -1.475 2.286) 3.779 18.492 ( 0.769 0.777 0.297) 1.133 18.496 ( 0.818 0.371 0.910) 1.279 18.611 ( 0.510 2.779 1.501) 3.199 18.641 ( 1.973 0.191 1.082) 2.258 18.687 ( 0.508 1.247 -1.130) 1.758 18.712 ( 0.877 -0.899 -0.546) 1.369 28.547 ( -0.615 0.222 0.144) 0.669 28.553 ( -0.448 -0.292 0.051) 0.537 28.590 ( 0.813 0.659 -0.354) 1.105 28.602 ( 1.061 -0.426 -0.468) 1.235 28.884 ( -0.373 0.742 0.294) 0.880 28.905 ( -0.312 -1.120 -0.257) 1.191 28.942 ( 0.043 0.256 0.125) 0.289 28.946 ( 0.279 -0.125 -0.044) 0.309 31.083 ( 2.009 2.691 0.143) 3.362 31.091 ( 1.244 1.705 -1.107) 2.383 31.424 ( 1.228 1.701 0.956) 2.306 31.488 ( 5.107 -3.295 0.108) 6.079 31.545 ( 1.011 6.620 3.694) 7.648 31.717 ( -0.217 -8.527 5.487) 10.142 31.913 ( 3.756 8.099 -6.081) 10.802 32.066 ( 2.286 -5.948 -4.771) 7.960 32.635 ( -3.833 2.637 3.264) 5.683 32.671 ( 0.140 3.398 -0.980) 3.539 32.757 ( 2.218 2.121 0.882) 3.194 32.907 ( 2.813 -7.946 -0.167) 8.431 33.070 ( 2.025 11.206 -0.075) 11.387 33.274 ( 2.475 2.973 -1.316) 4.086 33.314 ( 4.144 -4.449 -2.082) 6.426 33.444 ( -0.107 -6.533 -5.480) 8.528 33.529 ( -3.188 0.651 4.521) 5.570 33.581 ( -1.926 -4.271 1.828) 5.029 34.350 ( -5.034 4.552 6.999) 9.749 34.456 ( -5.506 -5.151 5.176) 9.145 34.517 ( 1.116 1.103 1.159) 1.951 34.550 ( 1.266 -2.002 1.810) 2.981 34.894 ( -5.278 0.215 -7.117) 8.863 34.908 ( -5.211 -0.812 -5.029) 7.287 ======================= Grid point 79 (45/66) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 4.263 3.427 11.059) 12.337 1.563 ( -7.308 -3.733 -0.545) 8.224 1.663 ( -7.317 3.331 2.748) 8.496 1.752 ( -3.260 -1.652 0.696) 3.721 1.868 ( 1.069 5.579 1.605) 5.903 1.970 ( 4.499 -0.366 2.300) 5.066 2.103 ( -3.633 -3.929 3.771) 6.546 2.118 ( 6.330 -0.894 2.136) 6.741 2.358 ( -0.889 -2.266 1.247) 2.735 2.396 ( -3.091 -5.480 3.633) 7.265 2.446 ( 7.453 7.998 3.225) 11.398 2.488 ( -3.871 0.404 -2.442) 4.595 2.648 ( 0.512 -2.087 -0.292) 2.169 2.699 ( -0.310 4.970 -3.979) 6.374 2.814 ( -0.294 -14.041 5.268) 15.000 2.867 ( -5.288 -1.631 4.680) 7.248 2.918 ( -5.307 -5.897 -0.343) 7.941 2.958 ( -1.327 4.263 -5.177) 6.837 3.010 ( -2.597 -4.370 3.972) 6.451 3.024 ( 3.188 -3.507 0.686) 4.788 3.235 ( -1.667 1.173 0.246) 2.053 3.282 ( 0.940 -5.116 -1.082) 5.313 3.377 ( 1.471 2.293 4.255) 5.053 3.396 ( 0.985 5.311 0.964) 5.487 3.435 ( 2.749 -2.939 -0.896) 4.123 3.537 ( 4.235 2.111 -2.105) 5.179 3.604 ( 1.682 -4.241 -4.286) 6.260 3.644 ( 3.898 -1.703 -2.253) 4.814 3.717 ( -0.312 -0.340 -1.606) 1.671 3.804 ( 1.684 -6.587 -1.966) 7.077 3.903 ( 5.149 0.806 0.877) 5.285 3.934 ( 1.181 -0.930 -2.403) 2.834 4.055 ( -0.319 3.761 -0.356) 3.791 4.077 ( 2.315 2.014 2.801) 4.155 4.126 ( -0.941 4.560 0.277) 4.664 4.223 ( -2.613 0.275 -2.445) 3.589 4.309 ( 1.198 -0.628 -1.281) 1.863 4.374 ( 1.477 -3.452 3.725) 5.289 4.417 ( -1.775 3.474 -2.225) 4.491 4.481 ( -1.462 4.797 -3.594) 6.170 4.502 ( -0.376 -1.340 -0.327) 1.430 4.596 ( -8.503 8.756 0.183) 12.207 4.629 ( 4.841 -5.588 -1.233) 7.495 4.727 ( -4.870 0.587 2.723) 5.610 4.810 ( 2.615 3.378 2.243) 4.825 4.895 ( 1.473 -3.585 0.711) 3.941 5.003 ( -0.069 1.095 0.492) 1.203 5.034 ( -0.422 -1.323 -2.643) 2.985 5.112 ( -1.877 1.623 2.703) 3.669 5.184 ( 1.173 -4.045 3.090) 5.223 5.297 ( -0.670 0.368 0.286) 0.816 5.311 ( -1.893 -0.326 -1.506) 2.441 5.360 ( -0.479 3.061 3.558) 4.717 5.403 ( 0.198 3.551 2.870) 4.570 5.519 ( -0.344 -0.835 1.633) 1.866 5.549 ( -0.985 -1.311 -0.147) 1.647 5.661 ( -1.577 3.477 -3.414) 5.122 5.673 ( 0.197 2.751 0.936) 2.912 5.755 ( 1.505 1.236 0.068) 1.949 5.822 ( 0.002 -5.291 -1.366) 5.465 5.959 ( -2.502 4.393 1.429) 5.254 6.026 ( 1.621 -1.511 1.106) 2.477 6.065 ( -1.576 -2.075 2.440) 3.570 6.085 ( -1.468 -2.711 5.212) 6.055 6.150 ( 2.391 2.675 0.365) 3.607 6.209 ( 2.297 0.098 0.256) 2.313 6.269 ( 1.538 2.380 -3.664) 4.633 6.283 ( 0.585 -0.057 -0.475) 0.756 6.376 ( -0.633 6.158 -2.127) 6.546 6.440 ( 0.364 2.964 -0.760) 3.081 6.495 ( 0.522 -3.078 1.606) 3.510 6.531 ( -2.361 -2.798 0.738) 3.734 6.623 ( -0.147 0.258 0.574) 0.646 6.693 ( -1.443 1.119 0.248) 1.842 6.701 ( 1.004 -3.244 -4.085) 5.312 6.792 ( 2.231 -4.461 -5.334) 7.302 7.394 ( 0.947 1.966 -0.708) 2.294 7.409 ( 1.989 1.101 -0.733) 2.388 7.522 ( -3.075 3.066 -0.459) 4.367 7.591 ( -1.150 -2.859 0.855) 3.198 7.698 ( 2.146 2.366 -1.148) 3.395 7.760 ( 1.125 -2.551 -0.928) 2.938 7.854 ( -2.008 4.057 -0.002) 4.526 7.934 ( -3.719 -2.275 0.130) 4.362 8.743 ( 1.699 7.286 -1.743) 7.682 8.904 ( 4.061 -7.435 -3.692) 9.242 9.733 ( -3.502 3.154 -0.772) 4.776 9.846 ( -2.804 -6.582 -4.293) 8.344 10.169 ( 2.540 3.404 0.713) 4.307 10.240 ( 4.991 -2.033 -0.307) 5.397 12.776 ( -0.632 1.988 -0.139) 2.091 12.830 ( -0.240 -2.843 -0.629) 2.921 12.870 ( 0.416 0.329 -0.118) 0.543 12.890 ( -0.015 -1.381 0.272) 1.407 13.023 ( 0.312 1.160 -0.813) 1.451 13.044 ( 0.038 -0.718 -0.734) 1.028 13.099 ( 0.999 1.222 -0.663) 1.712 13.124 ( 1.130 -1.043 -0.422) 1.595 13.551 ( -1.793 0.019 1.686) 2.461 13.568 ( -1.700 -1.621 1.330) 2.699 13.665 ( -0.206 0.430 0.483) 0.679 13.680 ( -0.774 -0.936 0.617) 1.362 13.794 ( 1.465 0.867 -0.699) 1.840 13.805 ( 1.938 -0.146 -0.749) 2.083 13.870 ( -1.782 1.126 -0.273) 2.126 13.880 ( -1.871 0.230 -0.797) 2.047 17.219 ( -1.295 0.398 2.860) 3.165 17.238 ( -1.682 -1.315 2.809) 3.529 17.383 ( -0.402 1.677 -0.007) 1.724 17.423 ( -0.261 -1.870 -0.295) 1.911 17.674 ( 0.310 -0.031 -0.937) 0.987 17.687 ( 0.002 -1.116 -0.716) 1.326 17.728 ( 0.416 0.601 -0.946) 1.196 17.750 ( 0.541 -1.271 -0.770) 1.581 17.814 ( -0.612 1.106 -1.507) 1.967 17.842 ( -0.368 -1.081 -1.674) 2.027 17.920 ( -1.204 1.392 -0.362) 1.876 17.956 ( -1.219 -1.980 -1.029) 2.543 18.039 ( 1.628 0.444 0.081) 1.689 18.063 ( 1.279 -1.460 -0.312) 1.966 18.239 ( 2.023 1.296 1.150) 2.663 18.271 ( 1.996 -1.494 0.979) 2.679 18.359 ( -2.255 1.462 2.787) 3.872 18.385 ( -3.015 -0.965 1.774) 3.629 18.503 ( -0.024 1.144 0.794) 1.392 18.514 ( 0.172 0.003 1.242) 1.254 18.626 ( -0.183 3.582 1.954) 4.085 18.679 ( 0.517 -0.609 -0.795) 1.127 18.687 ( 1.246 1.687 0.218) 2.108 18.724 ( 0.711 -1.504 -0.306) 1.691 28.537 ( -0.593 0.298 -0.077) 0.669 28.545 ( -0.394 -0.444 -0.233) 0.638 28.599 ( 0.490 0.744 -0.440) 0.993 28.612 ( 0.594 -0.476 -0.715) 1.044 28.880 ( -0.300 0.540 0.301) 0.687 28.897 ( -0.319 -0.993 -0.193) 1.061 28.946 ( 0.146 0.450 0.348) 0.587 28.954 ( 0.486 -0.254 0.095) 0.556 31.079 ( -1.414 2.077 -1.486) 2.919 31.094 ( 0.143 0.878 -2.029) 2.216 31.437 ( 0.353 4.201 -1.006) 4.334 31.496 ( 1.007 0.278 -3.112) 3.283 31.658 ( 4.300 1.704 3.621) 5.874 31.780 ( 0.833 -9.006 7.465) 11.727 31.948 ( 4.635 7.636 -4.528) 10.015 32.095 ( 4.321 -5.859 -3.358) 8.017 32.602 ( -2.317 4.054 2.473) 5.284 32.673 ( 1.331 -0.176 -1.079) 1.722 32.820 ( 3.155 3.919 2.426) 5.586 32.951 ( 1.228 -5.796 1.488) 6.109 33.082 ( 0.926 10.175 -3.620) 10.839 33.270 ( -0.837 3.608 -5.098) 6.301 33.341 ( 2.407 -6.014 -4.034) 7.631 33.398 ( -1.499 -2.219 -0.597) 2.744 33.561 ( 1.005 -0.038 5.012) 5.112 33.626 ( 4.248 -6.057 6.348) 9.748 34.243 ( -10.937 4.313 3.741) 12.337 34.354 ( -9.526 -5.607 4.318) 11.867 34.580 ( 5.990 0.732 -0.760) 6.082 34.608 ( 4.811 -1.968 -0.072) 5.198 34.742 ( -6.870 2.133 -3.810) 8.141 34.796 ( -5.385 -2.273 -1.344) 5.998 ======================= Grid point 80 (46/66) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -11.616 3.777 -3.209) 12.629 1.449 ( -5.204 -3.853 -1.738) 6.704 1.671 ( -1.002 6.128 13.387) 14.757 1.783 ( 0.903 -1.538 4.154) 4.520 1.867 ( -0.759 9.211 0.232) 9.245 2.036 ( -1.924 0.444 9.465) 9.669 2.065 ( -1.644 0.710 0.919) 2.013 2.175 ( -2.594 -11.339 -1.495) 11.728 2.296 ( -5.628 -5.469 1.931) 8.082 2.328 ( -3.670 -8.355 -1.158) 9.198 2.389 ( -0.331 7.087 0.323) 7.102 2.586 ( -8.083 -4.668 -0.286) 9.339 2.596 ( -1.459 6.370 0.302) 6.541 2.729 ( -4.020 -1.558 -1.013) 4.429 2.747 ( 7.764 -0.348 1.777) 7.973 2.828 ( 0.034 -4.876 -6.208) 7.895 2.929 ( 0.208 1.981 0.595) 2.079 2.958 ( 3.476 -3.261 -0.375) 4.781 3.006 ( 0.344 -2.847 6.224) 6.852 3.111 ( 4.010 -7.132 2.498) 8.555 3.227 ( -2.118 0.202 1.676) 2.709 3.281 ( -1.485 -2.995 1.234) 3.563 3.351 ( -1.131 -1.397 1.296) 2.216 3.415 ( -3.114 0.739 -1.596) 3.577 3.516 ( 3.695 -4.066 1.692) 5.748 3.595 ( 3.135 -3.514 5.477) 7.223 3.647 ( 5.975 5.301 1.598) 8.146 3.730 ( 2.391 2.229 -0.676) 3.338 3.739 ( 4.241 -1.808 -2.491) 5.240 3.784 ( -2.983 0.122 -1.776) 3.474 3.847 ( -2.496 -1.393 -5.383) 6.095 3.885 ( -3.094 -4.280 -4.900) 7.204 4.050 ( -1.606 5.823 -4.115) 7.308 4.108 ( -2.971 6.243 -3.797) 7.888 4.147 ( 1.863 0.120 -0.240) 1.882 4.162 ( 2.787 -1.783 -1.133) 3.497 4.312 ( -3.775 1.299 -1.707) 4.341 4.331 ( 0.987 1.284 -1.313) 2.085 4.392 ( 0.671 7.614 0.224) 7.647 4.480 ( -0.735 -2.151 3.875) 4.492 4.508 ( 0.757 2.628 3.327) 4.307 4.590 ( 6.424 0.660 -1.760) 6.694 4.618 ( -6.105 4.417 0.114) 7.536 4.724 ( 2.306 -4.547 2.317) 5.600 4.858 ( 3.233 -0.879 -5.808) 6.705 4.904 ( -1.016 -4.435 -2.645) 5.263 5.013 ( -0.378 1.133 2.302) 2.594 5.027 ( -0.086 -0.439 4.264) 4.287 5.139 ( 2.197 1.299 3.328) 4.194 5.202 ( -0.037 -4.348 0.552) 4.383 5.263 ( -1.588 -0.545 1.169) 2.046 5.290 ( -0.497 -2.255 0.265) 2.324 5.399 ( -0.681 5.145 5.441) 7.519 5.446 ( 1.719 6.334 3.500) 7.439 5.511 ( -1.673 -2.178 -0.208) 2.755 5.534 ( 1.473 -1.322 -1.361) 2.402 5.630 ( 0.619 5.942 -0.630) 6.007 5.701 ( 0.596 3.311 2.127) 3.980 5.800 ( 1.740 0.765 2.897) 3.466 5.827 ( 0.031 -5.572 2.013) 5.924 5.877 ( -7.507 2.183 3.099) 8.410 5.973 ( -4.303 -6.469 -0.532) 7.788 6.071 ( 0.112 0.802 1.894) 2.059 6.124 ( 0.481 -4.007 3.804) 5.546 6.207 ( 1.664 3.529 -2.339) 4.549 6.230 ( -0.339 1.508 -2.906) 3.291 6.247 ( 2.530 4.399 -4.447) 6.748 6.322 ( 3.093 -1.434 -1.481) 3.717 6.360 ( 0.798 4.683 0.247) 4.757 6.440 ( -1.456 -0.873 1.923) 2.565 6.496 ( -0.428 0.460 -2.200) 2.288 6.524 ( -1.050 0.003 0.779) 1.307 6.620 ( -0.068 -0.371 1.021) 1.089 6.666 ( -0.354 -3.007 0.004) 3.028 6.702 ( 2.524 3.163 -2.345) 4.677 6.789 ( 2.344 -4.473 -6.590) 8.302 7.419 ( 2.553 2.958 -0.051) 3.908 7.457 ( 0.959 4.222 -0.282) 4.339 7.472 ( 0.353 -0.270 0.003) 0.444 7.556 ( -2.636 -3.163 -1.026) 4.244 7.719 ( 0.075 2.062 -0.395) 2.101 7.765 ( 0.455 -0.844 0.945) 1.346 7.833 ( 0.019 -0.509 -1.555) 1.636 7.856 ( -4.605 -1.839 -1.042) 5.067 8.753 ( 0.820 8.304 -1.077) 8.414 8.950 ( 4.447 -9.406 -3.583) 11.004 9.670 ( -2.264 2.397 -1.063) 3.464 9.749 ( -3.512 -4.853 -4.811) 7.683 10.240 ( 3.616 5.757 2.045) 7.099 10.353 ( 7.244 -3.585 -0.829) 8.125 12.775 ( 0.469 1.735 0.284) 1.820 12.824 ( 0.005 -2.545 -0.659) 2.629 12.874 ( 0.326 0.151 -0.611) 0.709 12.889 ( 0.148 -1.115 -0.617) 1.283 13.022 ( 0.255 1.235 -0.593) 1.393 13.041 ( 0.025 -0.342 -0.773) 0.846 13.102 ( -0.183 0.850 -0.222) 0.898 13.127 ( -0.349 -1.178 -0.734) 1.431 13.537 ( -1.015 0.072 1.503) 1.815 13.559 ( -0.311 -1.858 1.311) 2.295 13.673 ( 0.443 0.176 0.738) 0.878 13.681 ( 0.251 -0.507 0.861) 1.030 13.804 ( -0.524 1.143 -0.640) 1.411 13.817 ( -0.862 -0.018 -0.468) 0.981 13.851 ( 0.120 0.764 -0.688) 1.035 13.858 ( 1.336 0.040 -0.449) 1.410 17.222 ( -0.881 0.174 2.831) 2.970 17.234 ( -1.149 -0.944 2.870) 3.232 17.378 ( -0.035 1.598 -0.058) 1.599 17.416 ( -0.114 -1.711 -0.552) 1.801 17.678 ( 0.836 -0.437 -0.599) 1.118 17.683 ( 0.171 -0.836 -0.336) 0.917 17.731 ( 0.654 0.535 -1.013) 1.319 17.751 ( 0.245 -1.173 -0.885) 1.490 17.801 ( 0.691 0.578 -1.945) 2.143 17.825 ( 0.243 -1.182 -2.463) 2.742 17.904 ( -0.589 0.840 0.106) 1.032 17.925 ( -1.394 -1.233 -1.054) 2.138 18.060 ( 0.845 0.328 0.208) 0.930 18.076 ( 0.556 -0.929 -0.316) 1.128 18.286 ( 1.548 1.801 2.089) 3.163 18.321 ( 2.276 -0.683 1.056) 2.600 18.344 ( -0.822 -0.094 0.966) 1.272 18.351 ( -2.274 -0.293 1.630) 2.813 18.502 ( -1.220 1.326 1.657) 2.448 18.521 ( -0.280 -0.438 1.319) 1.417 18.634 ( -0.755 3.219 1.756) 3.744 18.662 ( -0.730 0.874 -1.508) 1.890 18.706 ( 0.003 0.377 0.505) 0.630 18.729 ( -0.297 -1.672 1.016) 1.979 28.529 ( -0.174 0.325 -0.118) 0.387 28.538 ( -0.084 -0.521 -0.321) 0.618 28.599 ( 0.017 0.660 -0.468) 0.809 28.612 ( 0.016 -0.426 -0.823) 0.927 28.878 ( -0.108 0.385 0.282) 0.489 28.893 ( 0.048 -0.906 -0.163) 0.922 28.950 ( 0.022 0.653 0.428) 0.781 28.962 ( 0.261 -0.320 0.143) 0.437 31.032 ( -2.376 2.829 -1.161) 3.873 31.073 ( -0.411 -0.559 -2.522) 2.616 31.415 ( -2.114 3.563 -1.048) 4.274 31.473 ( -1.536 -1.063 -3.142) 3.655 31.718 ( -0.197 2.285 2.994) 3.771 31.814 ( -2.919 -6.260 5.829) 9.038 31.999 ( 5.045 8.227 -4.501) 10.649 32.154 ( 4.979 -6.069 -2.779) 8.327 32.597 ( -0.696 5.393 3.055) 6.237 32.707 ( 2.977 -2.954 0.240) 4.200 32.884 ( 1.437 3.164 3.546) 4.964 32.958 ( -1.376 0.862 0.428) 1.679 33.035 ( -4.028 2.360 -2.256) 5.185 33.170 ( -4.426 -2.564 -7.426) 9.017 33.347 ( -0.415 -0.361 -1.797) 1.879 33.413 ( 5.556 -3.259 -2.090) 6.772 33.649 ( 2.450 2.882 8.169) 9.002 33.730 ( 0.628 -3.585 5.401) 6.513 34.117 ( -4.038 2.480 2.472) 5.345 34.228 ( -6.571 -6.989 1.636) 9.732 34.594 ( -5.463 4.903 -2.643) 7.802 34.682 ( -0.261 -2.219 -2.923) 3.679 34.722 ( 5.814 -0.710 0.044) 5.857 34.738 ( 6.811 -1.819 1.173) 7.147 ======================= Grid point 81 (47/66) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -5.280 12.483 1.369) 13.623 1.436 ( 2.631 -7.409 4.571) 9.094 1.709 ( -2.910 9.469 11.052) 14.841 1.739 ( -9.114 -2.348 3.149) 9.925 1.801 ( -16.907 4.659 -0.433) 17.542 1.960 ( -5.786 -0.485 7.213) 9.260 2.037 ( -3.621 2.937 5.603) 7.289 2.188 ( 3.858 -3.516 3.187) 6.116 2.251 ( -2.894 -9.928 6.830) 12.394 2.327 ( 3.413 -8.370 -0.780) 9.073 2.418 ( -3.504 2.634 0.330) 4.396 2.466 ( -2.161 -3.744 7.653) 8.789 2.538 ( -1.342 3.020 -5.373) 6.308 2.668 ( -3.041 -3.246 -0.970) 4.553 2.752 ( -0.237 1.660 -5.558) 5.806 2.846 ( 1.624 -5.178 1.467) 5.622 2.962 ( 1.433 2.437 -3.272) 4.324 3.015 ( 1.296 -2.172 -1.084) 2.752 3.064 ( 0.787 -1.109 5.164) 5.340 3.131 ( -1.556 -5.128 -0.427) 5.375 3.182 ( 1.558 2.550 -1.745) 3.460 3.299 ( -3.179 -1.277 0.504) 3.462 3.347 ( 3.390 -5.180 3.985) 7.363 3.415 ( 3.335 -7.992 4.330) 9.682 3.574 ( -2.576 2.633 2.229) 4.305 3.638 ( -2.749 0.665 -5.309) 6.015 3.666 ( -4.216 4.474 -3.837) 7.247 3.677 ( -1.063 0.026 0.368) 1.126 3.720 ( 0.442 -1.451 0.572) 1.621 3.766 ( -0.827 0.479 1.501) 1.780 3.855 ( 4.120 0.346 -1.432) 4.375 3.874 ( 2.456 -1.053 -2.154) 3.433 3.995 ( -2.431 6.132 -8.760) 10.966 4.022 ( 2.152 2.065 -0.683) 3.059 4.114 ( -1.737 -3.684 -7.148) 8.227 4.170 ( -0.390 -5.532 -0.571) 5.575 4.257 ( -3.583 2.035 -1.220) 4.297 4.367 ( -1.391 -3.043 -1.735) 3.769 4.443 ( 4.883 9.365 2.264) 10.801 4.482 ( 1.820 2.953 3.126) 4.670 4.568 ( 1.609 2.293 -0.132) 2.804 4.597 ( 4.155 2.580 3.293) 5.897 4.695 ( 3.103 -3.344 2.883) 5.396 4.718 ( -2.878 -3.894 -0.158) 4.845 4.832 ( -0.728 1.470 -3.178) 3.576 4.891 ( 2.688 -3.041 -3.461) 5.334 4.991 ( -2.908 3.059 1.899) 4.628 5.057 ( -1.179 -2.072 5.980) 6.437 5.196 ( 0.057 2.293 -0.664) 2.388 5.238 ( 1.952 -2.545 -0.957) 3.347 5.262 ( 1.595 -1.251 2.550) 3.258 5.298 ( 3.104 -0.280 1.289) 3.373 5.398 ( -3.408 4.460 2.582) 6.179 5.448 ( -3.041 2.228 -1.864) 4.206 5.516 ( 1.538 2.268 2.255) 3.548 5.568 ( 0.930 -2.804 0.360) 2.976 5.655 ( 0.489 6.608 3.643) 7.561 5.697 ( -2.098 5.451 1.683) 6.078 5.782 ( -4.879 1.346 4.157) 6.550 5.846 ( -1.878 -3.066 5.898) 6.907 5.858 ( 2.600 -2.564 2.913) 4.671 5.943 ( 0.995 -6.326 -1.818) 6.657 6.079 ( -0.021 2.885 -1.974) 3.496 6.121 ( -2.360 -0.737 -4.250) 4.916 6.187 ( 0.079 0.468 -1.776) 1.839 6.192 ( -0.368 -1.488 -1.511) 2.153 6.256 ( 1.100 3.114 -2.700) 4.266 6.323 ( 1.185 -2.907 -2.451) 3.983 6.376 ( -1.596 1.745 -2.108) 3.168 6.427 ( -1.420 -3.304 1.703) 3.979 6.486 ( 1.450 4.006 0.634) 4.308 6.523 ( 1.673 0.931 2.891) 3.467 6.637 ( 0.893 1.536 -0.344) 1.810 6.698 ( 2.392 -1.794 1.569) 3.377 6.740 ( 2.988 0.504 -4.782) 5.661 6.774 ( 1.119 -2.587 -2.491) 3.761 7.437 ( 0.615 4.902 -2.040) 5.345 7.468 ( 1.188 2.621 0.079) 2.878 7.489 ( -0.524 -0.846 -0.988) 1.402 7.548 ( 3.539 -3.343 0.529) 4.896 7.702 ( -1.299 2.189 0.030) 2.546 7.750 ( -3.952 -1.394 -0.718) 4.251 7.807 ( -0.095 0.183 1.348) 1.364 7.829 ( 0.982 -2.117 -0.493) 2.385 8.755 ( 0.499 9.123 -1.635) 9.281 8.987 ( 2.729 -12.018 -5.015) 13.305 9.660 ( 1.111 0.710 1.446) 1.956 9.686 ( -0.489 -1.769 -1.275) 2.235 10.291 ( 1.437 7.741 -1.147) 7.956 10.437 ( 4.927 -4.364 -5.964) 8.882 12.792 ( 1.056 1.052 0.356) 1.533 12.819 ( 0.320 -1.170 -1.331) 1.801 12.874 ( 0.205 0.039 -0.731) 0.760 12.892 ( 0.937 -1.716 -0.637) 2.057 13.022 ( -0.130 1.085 -0.363) 1.152 13.030 ( -0.348 0.682 -0.791) 1.101 13.095 ( -0.788 -0.602 0.582) 1.150 13.101 ( -1.808 -1.095 -0.772) 2.250 13.545 ( 0.510 0.686 1.534) 1.756 13.577 ( 1.088 -2.212 1.188) 2.736 13.686 ( 0.476 0.617 0.467) 0.909 13.698 ( 0.769 -0.429 0.758) 1.162 13.774 ( -1.808 0.844 -0.254) 2.011 13.785 ( -1.730 -0.123 -0.597) 1.835 13.872 ( 2.119 1.509 -0.434) 2.637 13.892 ( 2.554 -0.408 -0.775) 2.700 17.229 ( -0.814 0.140 2.774) 2.894 17.241 ( -0.695 -0.945 2.976) 3.199 17.382 ( 0.470 1.362 0.037) 1.441 17.413 ( 0.300 -1.413 -0.635) 1.578 17.689 ( 1.120 0.170 -0.529) 1.250 17.699 ( 1.677 -1.193 -0.058) 2.059 17.730 ( 0.405 -0.026 -1.623) 1.673 17.746 ( 0.273 -1.018 -1.258) 1.641 17.807 ( 1.541 0.041 -1.963) 2.496 17.817 ( 1.136 -0.730 -2.558) 2.893 17.895 ( -1.405 -0.060 -0.171) 1.416 17.898 ( -0.522 -0.206 0.551) 0.786 18.069 ( 0.093 0.395 -0.536) 0.672 18.078 ( 0.125 -0.413 -0.459) 0.630 18.297 ( -1.747 1.300 1.462) 2.623 18.319 ( -2.010 -0.345 1.118) 2.325 18.353 ( 1.641 1.205 1.072) 2.300 18.381 ( 2.192 -1.335 1.202) 2.834 18.488 ( -1.771 1.910 1.738) 3.131 18.526 ( -0.692 -1.317 1.790) 2.327 18.618 ( -1.698 2.277 0.277) 2.853 18.639 ( -1.134 -0.046 -0.730) 1.350 18.704 ( -0.992 0.975 1.877) 2.336 18.726 ( -1.019 -1.023 1.065) 1.794 28.530 ( 0.368 0.283 0.015) 0.464 28.539 ( 0.362 -0.479 -0.183) 0.628 28.594 ( -0.291 0.477 -0.357) 0.663 28.602 ( -0.391 -0.325 -0.690) 0.857 28.880 ( 0.086 0.441 0.260) 0.519 28.896 ( 0.468 -0.967 -0.156) 1.085 28.951 ( -0.219 0.719 0.299) 0.809 28.963 ( -0.151 -0.302 0.028) 0.339 30.996 ( -1.117 3.485 0.191) 3.665 31.050 ( -0.532 -0.988 -1.236) 1.670 31.357 ( -3.713 1.602 -0.182) 4.048 31.395 ( -4.764 -1.445 -1.651) 5.245 31.704 ( -3.459 3.282 2.831) 5.545 31.788 ( -4.039 -3.767 4.519) 7.136 32.030 ( 2.642 9.460 -6.336) 11.689 32.201 ( 2.500 -6.158 -3.577) 7.547 32.618 ( 0.119 6.799 3.363) 7.586 32.768 ( 3.217 -4.281 0.777) 5.411 32.869 ( -7.259 2.398 2.044) 7.913 32.942 ( 0.446 2.169 -0.684) 2.318 32.953 ( -4.986 -3.555 4.207) 7.429 33.034 ( -2.731 -4.312 -7.453) 9.033 33.343 ( 1.549 5.099 -2.712) 5.980 33.498 ( 5.149 -7.259 -1.579) 9.039 33.675 ( -5.141 3.362 1.836) 6.411 33.741 ( -2.355 -1.415 5.716) 6.342 34.155 ( 2.591 0.252 5.559) 6.138 34.213 ( 4.080 -4.738 2.632) 6.784 34.502 ( -3.327 5.418 -0.979) 6.432 34.604 ( -4.081 -3.593 -0.770) 5.491 34.879 ( 10.841 -0.022 -3.373) 11.354 34.894 ( 10.334 -1.361 -1.928) 10.600 ======================= Grid point 82 (48/66) ======================= q-point: (-0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -1.675 18.649 6.385) 19.783 1.445 ( -20.796 6.734 7.651) 23.159 1.512 ( -4.757 -3.658 8.184) 10.148 1.626 ( -4.302 -14.025 7.966) 16.694 1.788 ( 2.258 5.325 11.589) 12.952 1.914 ( -4.712 -2.573 5.475) 7.668 2.040 ( -2.018 5.367 3.823) 6.892 2.241 ( 0.595 1.991 2.586) 3.318 2.266 ( -3.557 -10.600 7.837) 13.654 2.386 ( 1.402 0.905 4.529) 4.826 2.401 ( 1.018 0.589 1.668) 2.041 2.452 ( 1.037 0.950 -1.908) 2.371 2.560 ( 0.667 -10.143 -1.084) 10.223 2.652 ( 2.954 -3.231 -0.483) 4.405 2.737 ( 1.864 4.301 -3.434) 5.811 2.854 ( -6.392 1.590 0.478) 6.605 2.894 ( 2.034 -2.623 5.567) 6.482 2.989 ( -3.760 -9.180 -5.015) 11.116 3.081 ( 3.836 1.548 -0.583) 4.177 3.179 ( 2.831 -3.219 3.202) 5.351 3.276 ( 6.420 2.337 1.375) 6.969 3.294 ( 1.598 2.485 -3.898) 4.891 3.381 ( -1.686 -2.909 2.991) 4.500 3.447 ( -2.255 -7.448 -4.107) 8.799 3.493 ( -4.428 7.683 6.645) 11.081 3.565 ( -0.927 4.769 -8.113) 9.456 3.600 ( 1.987 0.009 -6.820) 7.103 3.678 ( -0.751 -3.463 2.601) 4.396 3.748 ( -1.665 -5.861 1.471) 6.268 3.754 ( -1.461 -1.855 5.669) 6.141 3.826 ( 0.020 2.889 -8.950) 9.405 3.886 ( 1.345 -3.315 -7.525) 8.332 3.964 ( 1.541 3.015 -2.840) 4.419 4.032 ( -3.468 -3.110 -4.013) 6.149 4.055 ( -1.357 2.502 0.501) 2.890 4.122 ( 0.526 0.014 -1.252) 1.358 4.210 ( -0.558 1.598 1.108) 2.023 4.345 ( 0.997 -8.316 -0.987) 8.433 4.530 ( -1.607 2.466 3.267) 4.397 4.555 ( 4.695 4.376 1.936) 6.704 4.583 ( -0.159 1.427 1.322) 1.951 4.638 ( -0.400 -1.064 2.620) 2.856 4.696 ( 1.698 3.066 1.272) 3.729 4.764 ( 2.439 -2.769 0.245) 3.698 4.830 ( 1.127 1.967 -2.188) 3.150 4.872 ( -1.783 -0.400 -1.295) 2.240 4.992 ( -0.030 3.611 3.351) 4.926 5.074 ( -2.972 -3.219 7.467) 8.657 5.164 ( 0.415 3.395 -3.628) 4.985 5.228 ( -1.521 -0.206 -2.258) 2.730 5.312 ( -6.205 3.320 -0.518) 7.056 5.336 ( 1.806 -1.420 0.972) 2.495 5.384 ( 4.042 3.224 1.209) 5.310 5.408 ( 2.382 0.879 -0.268) 2.553 5.517 ( -2.159 0.272 0.253) 2.191 5.542 ( -2.843 -3.616 -0.274) 4.608 5.686 ( -1.150 4.530 6.592) 8.081 5.714 ( 2.451 9.980 0.975) 10.323 5.794 ( 0.071 -3.635 4.479) 5.769 5.811 ( -2.904 4.611 -1.432) 5.634 5.893 ( -0.850 -2.903 -1.532) 3.391 5.936 ( -1.476 -5.260 -2.436) 5.982 6.018 ( -1.346 2.243 -0.492) 2.662 6.085 ( -0.323 0.018 0.064) 0.329 6.150 ( -1.392 -4.433 -0.785) 4.712 6.191 ( 1.730 -3.158 -2.578) 4.428 6.297 ( 1.132 2.683 0.032) 2.912 6.318 ( -0.999 1.538 -2.669) 3.239 6.371 ( 2.530 -0.379 1.500) 2.966 6.415 ( 1.420 -2.741 -0.465) 3.121 6.513 ( 1.937 2.276 -0.688) 3.067 6.591 ( 1.480 -1.189 3.371) 3.869 6.642 ( -0.132 0.875 -2.127) 2.303 6.699 ( -0.647 -3.915 -3.904) 5.566 6.739 ( 0.887 3.295 -0.723) 3.488 6.806 ( 1.790 -1.744 0.063) 2.500 7.439 ( -0.069 1.020 -2.845) 3.024 7.449 ( 1.708 1.659 -2.610) 3.533 7.506 ( -0.483 2.315 1.394) 2.745 7.609 ( 2.327 -4.993 0.377) 5.522 7.668 ( -1.462 2.933 -1.808) 3.743 7.713 ( 0.311 -0.343 -0.308) 0.556 7.821 ( 0.655 1.856 3.048) 3.628 7.866 ( 1.844 -1.227 2.958) 3.696 8.742 ( 0.009 8.289 -3.039) 8.829 8.950 ( -1.527 -10.926 -6.704) 12.909 9.705 ( 1.922 0.463 3.081) 3.661 9.732 ( 3.608 -2.132 3.912) 5.733 10.272 ( -0.669 8.466 -5.045) 9.878 10.427 ( 1.605 -4.376 -11.208) 12.139 12.807 ( 0.731 0.550 -0.363) 0.984 12.819 ( 0.759 -0.362 -1.188) 1.456 12.874 ( 0.322 0.301 -0.451) 0.630 12.906 ( 0.547 -2.367 -0.209) 2.439 13.012 ( 0.225 1.188 -0.506) 1.311 13.032 ( 0.503 0.259 0.201) 0.600 13.062 ( -1.758 -0.049 -0.280) 1.781 13.088 ( -0.781 -1.584 0.550) 1.849 13.567 ( 0.490 0.880 1.413) 1.735 13.600 ( 0.403 -2.168 0.922) 2.390 13.693 ( 0.179 0.905 0.033) 0.923 13.709 ( 0.069 -0.524 0.283) 0.600 13.753 ( -0.388 0.700 0.022) 0.801 13.762 ( -0.423 -0.112 -0.313) 0.538 13.903 ( 1.686 1.711 -0.545) 2.463 13.924 ( 1.859 -0.301 -1.178) 2.222 17.234 ( -1.097 0.348 2.792) 3.020 17.252 ( -0.699 -1.369 2.930) 3.308 17.393 ( 0.548 1.011 0.169) 1.162 17.417 ( 0.623 -1.184 -0.480) 1.421 17.698 ( 0.500 1.180 -1.876) 2.272 17.718 ( 0.581 -0.959 -1.006) 1.506 17.735 ( 1.223 -0.974 -1.558) 2.207 17.747 ( 1.423 -1.624 -1.656) 2.722 17.826 ( 2.335 0.185 -0.925) 2.519 17.828 ( 1.724 -0.001 -0.743) 1.877 17.881 ( -0.409 0.265 0.722) 0.871 17.893 ( -0.669 -0.928 0.892) 1.451 18.054 ( -0.826 0.892 -1.497) 1.928 18.071 ( -0.497 -0.539 -0.932) 1.185 18.272 ( -1.698 1.176 0.608) 2.153 18.297 ( -1.532 -0.967 0.740) 1.957 18.389 ( 0.851 1.596 2.259) 2.894 18.419 ( 0.865 -1.033 1.710) 2.177 18.471 ( -0.990 1.667 0.735) 2.073 18.512 ( -2.363 -2.014 1.324) 3.376 18.597 ( -1.198 2.014 1.231) 2.647 18.617 ( -0.917 0.076 0.044) 0.922 18.697 ( -1.386 0.999 1.512) 2.282 18.714 ( -0.687 -0.517 0.005) 0.860 28.540 ( 0.652 0.239 0.215) 0.727 28.547 ( 0.614 -0.388 0.128) 0.737 28.586 ( -0.281 0.298 -0.288) 0.501 28.591 ( -0.388 -0.127 -0.447) 0.605 28.884 ( 0.112 0.630 0.269) 0.694 28.904 ( 0.534 -1.108 -0.237) 1.252 28.948 ( -0.350 0.589 0.050) 0.687 28.957 ( -0.482 -0.237 -0.130) 0.552 30.999 ( 0.541 3.464 1.280) 3.732 31.046 ( 0.564 -0.379 1.137) 1.325 31.292 ( -2.987 2.294 1.300) 3.984 31.346 ( -0.359 -2.633 1.427) 3.016 31.654 ( -4.691 4.375 2.582) 6.914 31.752 ( -3.827 -3.831 4.015) 6.741 31.991 ( -0.412 10.073 -8.290) 13.052 32.172 ( -1.774 -6.379 -5.335) 8.503 32.642 ( -0.159 8.121 3.057) 8.679 32.756 ( -4.244 3.232 0.062) 5.335 32.819 ( -6.182 -4.968 2.588) 8.342 32.839 ( 0.699 -6.629 -1.002) 6.741 32.983 ( 1.272 1.351 -0.064) 1.857 33.040 ( 5.080 -3.732 1.691) 6.526 33.341 ( 0.869 7.371 -3.988) 8.426 33.535 ( -1.278 -9.632 -0.565) 9.733 33.603 ( -1.299 4.557 -1.152) 4.877 33.702 ( -4.714 -3.940 1.120) 6.245 34.253 ( 2.156 3.136 8.478) 9.293 34.341 ( 5.467 -4.347 5.193) 8.704 34.475 ( 0.259 3.365 0.935) 3.502 34.546 ( -2.053 -2.760 -0.382) 3.461 35.002 ( 6.789 0.136 -5.998) 9.060 35.020 ( 6.745 -1.630 -5.759) 9.018 ======================= Grid point 95 (49/66) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.577 0.000 10.250) 10.569 1.438 ( -6.144 0.000 2.281) 6.554 1.608 ( 4.344 0.000 17.464) 17.996 1.841 ( 1.694 0.000 0.145) 1.700 2.025 ( 5.906 0.000 -2.310) 6.342 2.068 ( -8.635 0.000 -0.535) 8.652 2.178 ( -2.077 0.000 -0.513) 2.139 2.214 ( -2.227 0.000 0.521) 2.287 2.232 ( -0.351 0.000 -4.629) 4.642 2.273 ( 8.088 0.000 -2.547) 8.479 2.543 ( 2.098 0.000 7.870) 8.145 2.605 ( -4.793 0.000 -2.381) 5.352 2.681 ( -2.643 0.000 -0.270) 2.657 2.717 ( -1.517 0.000 -1.687) 2.269 2.837 ( 0.196 0.000 10.829) 10.831 2.901 ( 1.559 0.000 3.900) 4.201 3.068 ( -5.638 0.000 -5.595) 7.943 3.068 ( 8.179 0.000 -5.762) 10.005 3.171 ( -0.737 0.000 3.308) 3.389 3.211 ( 1.602 0.000 -0.549) 1.694 3.263 ( -3.116 0.000 5.986) 6.748 3.273 ( -3.268 0.000 3.132) 4.526 3.360 ( -7.690 0.000 -1.806) 7.899 3.465 ( 6.534 0.000 -5.412) 8.484 3.581 ( 2.959 0.000 1.804) 3.466 3.589 ( 0.441 0.000 1.636) 1.694 3.660 ( -6.792 0.000 4.428) 8.108 3.733 ( 9.095 0.000 -4.245) 10.037 3.785 ( -4.602 0.000 0.765) 4.665 3.840 ( -0.321 0.000 -0.219) 0.388 3.868 ( 4.142 0.000 -1.502) 4.406 3.872 ( 0.250 0.000 6.503) 6.507 3.966 ( 0.015 0.000 -8.106) 8.106 4.071 ( -0.770 0.000 -9.811) 9.841 4.071 ( 5.852 0.000 3.202) 6.670 4.194 ( -2.759 0.000 -6.739) 7.282 4.239 ( -5.189 0.000 -1.134) 5.312 4.257 ( 4.961 0.000 -0.568) 4.993 4.379 ( 1.125 0.000 0.946) 1.470 4.414 ( 1.179 0.000 -2.298) 2.583 4.484 ( 5.684 0.000 4.006) 6.954 4.575 ( -7.300 0.000 -5.009) 8.853 4.648 ( -2.378 0.000 1.590) 2.860 4.708 ( 0.931 0.000 -3.231) 3.362 4.865 ( -3.625 0.000 3.399) 4.969 4.943 ( -1.762 0.000 -4.586) 4.913 4.955 ( 2.273 0.000 5.519) 5.969 5.012 ( -0.418 0.000 2.686) 2.718 5.123 ( 1.406 0.000 8.901) 9.011 5.156 ( 0.450 0.000 6.400) 6.416 5.254 ( 0.459 0.000 -2.005) 2.056 5.335 ( 0.470 0.000 -2.013) 2.067 5.347 ( -2.941 0.000 -1.287) 3.210 5.363 ( 0.399 0.000 -8.080) 8.090 5.494 ( -0.834 0.000 3.013) 3.126 5.516 ( -0.140 0.000 -0.526) 0.545 5.556 ( 2.622 0.000 4.612) 5.306 5.661 ( -1.236 0.000 -3.775) 3.972 5.688 ( 1.162 0.000 -0.404) 1.230 5.712 ( -1.139 0.000 -4.559) 4.700 5.877 ( 0.630 0.000 2.704) 2.776 5.899 ( 0.183 0.000 -0.042) 0.188 6.022 ( 1.553 0.000 2.706) 3.120 6.058 ( -2.130 0.000 -2.637) 3.390 6.144 ( 0.306 0.000 -0.221) 0.378 6.197 ( 0.733 0.000 8.726) 8.757 6.215 ( -1.048 0.000 -4.989) 5.098 6.369 ( 0.069 0.000 -7.165) 7.165 6.395 ( 1.928 0.000 3.424) 3.929 6.433 ( -3.724 0.000 -1.620) 4.061 6.540 ( -0.127 0.000 0.272) 0.300 6.585 ( -0.252 0.000 -3.749) 3.757 6.662 ( 2.684 0.000 0.266) 2.697 6.666 ( -1.669 0.000 0.489) 1.739 6.917 ( 0.574 0.000 1.992) 2.073 6.946 ( -1.149 0.000 -1.229) 1.682 7.347 ( -4.554 0.000 2.880) 5.388 7.392 ( 6.409 0.000 -1.964) 6.703 7.513 ( -0.015 0.000 0.701) 0.701 7.526 ( -2.704 0.000 -0.858) 2.837 7.637 ( 1.624 0.000 4.897) 5.159 7.732 ( 0.430 0.000 -4.468) 4.489 7.797 ( 0.994 0.000 0.814) 1.284 7.821 ( 0.200 0.000 -2.234) 2.243 8.671 ( -4.860 0.000 10.771) 11.816 8.897 ( 3.550 0.000 -12.384) 12.882 9.906 ( -2.346 0.000 7.787) 8.132 9.998 ( -3.601 0.000 1.209) 3.798 10.079 ( 8.049 0.000 -6.206) 10.164 10.089 ( 0.724 0.000 -4.055) 4.119 12.797 ( -2.026 0.000 0.355) 2.057 12.809 ( 2.051 0.000 -0.960) 2.264 12.947 ( 1.331 0.000 0.443) 1.403 12.950 ( -0.859 0.000 0.081) 0.863 13.019 ( -0.418 0.000 1.550) 1.606 13.040 ( -0.697 0.000 -0.748) 1.022 13.094 ( 2.962 0.000 0.090) 2.963 13.100 ( -1.823 0.000 -0.617) 1.924 13.610 ( -0.538 0.000 1.947) 2.020 13.643 ( 0.400 0.000 -1.411) 1.467 13.678 ( -1.716 0.000 1.227) 2.110 13.705 ( 1.727 0.000 -1.452) 2.256 13.763 ( -0.355 0.000 1.057) 1.115 13.777 ( 0.258 0.000 -0.401) 0.477 13.828 ( 0.116 0.000 1.613) 1.617 13.867 ( -0.044 0.000 -2.412) 2.413 17.275 ( -1.511 0.000 2.554) 2.967 17.317 ( 0.906 0.000 -1.764) 1.983 17.417 ( -2.227 0.000 1.633) 2.762 17.444 ( 1.869 0.000 -1.142) 2.190 17.708 ( 0.340 0.000 0.621) 0.708 17.720 ( -0.086 0.000 -0.618) 0.624 17.764 ( -0.075 0.000 0.031) 0.081 17.772 ( -0.233 0.000 -0.802) 0.835 17.861 ( -1.767 0.000 1.091) 2.077 17.875 ( 4.868 0.000 -0.137) 4.870 17.888 ( -3.604 0.000 -0.542) 3.645 17.892 ( 1.522 0.000 -1.212) 1.945 18.069 ( -0.286 0.000 0.508) 0.583 18.069 ( 0.551 0.000 0.555) 0.782 18.247 ( 0.597 0.000 0.898) 1.078 18.270 ( -0.775 0.000 -1.436) 1.632 18.420 ( -4.428 0.000 1.792) 4.777 18.445 ( 4.067 0.000 -0.978) 4.183 18.460 ( -0.229 0.000 3.633) 3.641 18.494 ( -1.176 0.000 2.529) 2.789 18.516 ( -2.367 0.000 -2.261) 3.273 18.551 ( 2.690 0.000 -2.961) 4.001 18.660 ( -3.362 0.000 0.667) 3.428 18.676 ( 2.469 0.000 -1.084) 2.696 28.551 ( 0.121 0.000 0.260) 0.287 28.556 ( -0.016 0.000 -0.319) 0.319 28.577 ( -0.591 0.000 0.423) 0.726 28.585 ( 0.868 0.000 -0.391) 0.952 28.890 ( -0.715 0.000 1.035) 1.257 28.910 ( 0.740 0.000 -0.994) 1.239 28.945 ( 0.064 0.000 -0.004) 0.064 28.946 ( -0.161 0.000 -0.102) 0.191 30.974 ( 0.652 0.000 2.314) 2.405 30.993 ( -0.417 0.000 0.157) 0.445 31.363 ( 6.061 0.000 4.364) 7.469 31.446 ( -5.961 0.000 -3.641) 6.985 31.489 ( 4.967 0.000 -0.859) 5.041 31.491 ( -1.795 0.000 -0.681) 1.919 31.989 ( 1.867 0.000 8.783) 8.979 32.151 ( -1.989 0.000 -7.051) 7.326 32.493 ( -1.784 0.000 2.159) 2.801 32.548 ( 2.277 0.000 -3.869) 4.489 32.796 ( -7.817 0.000 2.560) 8.225 32.851 ( 2.171 0.000 -3.366) 4.005 32.976 ( 1.189 0.000 -1.681) 2.059 33.002 ( 3.322 0.000 -4.612) 5.684 33.481 ( 1.941 0.000 5.609) 5.935 33.555 ( 3.051 0.000 0.939) 3.192 33.685 ( 2.644 0.000 -4.537) 5.251 33.692 ( -8.912 0.000 -1.874) 9.107 34.414 ( -0.128 0.000 9.213) 9.214 34.524 ( -2.502 0.000 -2.379) 3.453 34.607 ( 0.031 0.000 7.217) 7.217 34.715 ( 5.833 0.000 -0.838) 5.893 34.920 ( -1.373 0.000 -2.167) 2.565 34.970 ( -3.312 0.000 -4.870) 5.890 ======================= Grid point 96 (50/66) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 9.823 0.000 0.451) 9.833 1.552 ( 8.301 0.000 7.194) 10.985 1.795 ( 2.758 0.000 -14.897) 15.150 1.804 ( -0.217 0.000 4.766) 4.771 1.880 ( -5.176 0.000 4.171) 6.647 2.120 ( -4.952 0.000 6.637) 8.281 2.168 ( -3.737 0.000 -3.567) 5.166 2.172 ( 6.189 0.000 2.200) 6.568 2.210 ( 1.022 0.000 -0.864) 1.339 2.379 ( 7.534 0.000 -2.247) 7.862 2.504 ( -3.284 0.000 1.973) 3.831 2.583 ( -9.273 0.000 -3.497) 9.911 2.659 ( 4.031 0.000 9.703) 10.507 2.695 ( 0.244 0.000 -2.176) 2.189 2.816 ( -3.327 0.000 -1.062) 3.492 2.937 ( -0.254 0.000 1.289) 1.314 2.953 ( -4.744 0.000 -3.012) 5.620 3.132 ( -8.529 0.000 4.444) 9.617 3.171 ( 1.572 0.000 1.358) 2.077 3.253 ( 1.801 0.000 -0.512) 1.872 3.272 ( 5.550 0.000 7.182) 9.076 3.273 ( 4.318 0.000 -1.084) 4.452 3.393 ( 5.676 0.000 2.518) 6.209 3.419 ( -12.903 0.000 -4.084) 13.534 3.559 ( 5.607 0.000 0.151) 5.609 3.572 ( -2.830 0.000 -1.120) 3.044 3.594 ( 0.593 0.000 -4.640) 4.677 3.771 ( -1.742 0.000 -2.841) 3.333 3.814 ( 3.446 0.000 8.435) 9.112 3.844 ( 4.198 0.000 2.937) 5.123 3.885 ( -2.811 0.000 -6.680) 7.247 3.966 ( -4.735 0.000 -5.635) 7.360 3.998 ( 5.077 0.000 7.341) 8.926 4.008 ( 4.999 0.000 -6.707) 8.366 4.095 ( 5.869 0.000 -6.153) 8.503 4.151 ( -2.261 0.000 2.210) 3.162 4.214 ( 1.227 0.000 0.237) 1.249 4.328 ( 0.517 0.000 -1.707) 1.784 4.353 ( -5.418 0.000 -3.253) 6.320 4.370 ( -2.700 0.000 -1.033) 2.891 4.500 ( 7.541 0.000 -0.886) 7.593 4.613 ( 0.694 0.000 2.998) 3.077 4.687 ( 5.426 0.000 6.211) 8.247 4.721 ( -0.708 0.000 2.041) 2.160 4.760 ( -8.028 0.000 1.149) 8.110 4.825 ( -8.270 0.000 -1.169) 8.352 4.961 ( -4.140 0.000 -0.855) 4.227 4.980 ( -3.639 0.000 1.515) 3.941 5.162 ( -4.097 0.000 -6.662) 7.821 5.217 ( 5.103 0.000 6.046) 7.912 5.279 ( 1.635 0.000 5.927) 6.148 5.285 ( 0.767 0.000 -7.051) 7.092 5.349 ( 3.717 0.000 1.955) 4.200 5.389 ( 1.745 0.000 0.580) 1.839 5.526 ( 2.028 0.000 1.821) 2.726 5.543 ( 2.241 0.000 0.470) 2.290 5.584 ( -2.371 0.000 -5.206) 5.721 5.614 ( 0.048 0.000 3.059) 3.059 5.694 ( 1.406 0.000 -1.833) 2.310 5.698 ( -0.044 0.000 0.276) 0.279 5.920 ( 2.701 0.000 0.891) 2.844 5.925 ( 2.233 0.000 -2.538) 3.380 6.015 ( 0.748 0.000 0.994) 1.244 6.072 ( 1.457 0.000 -0.577) 1.567 6.146 ( -1.229 0.000 6.901) 7.010 6.154 ( -1.641 0.000 -4.030) 4.351 6.261 ( -1.034 0.000 9.135) 9.194 6.297 ( -0.627 0.000 -10.508) 10.527 6.377 ( -2.074 0.000 -0.458) 2.124 6.413 ( -3.552 0.000 2.873) 4.568 6.552 ( -1.466 0.000 -0.508) 1.552 6.553 ( 0.934 0.000 0.505) 1.062 6.642 ( -1.373 0.000 0.857) 1.619 6.709 ( 3.788 0.000 -2.521) 4.550 6.897 ( -3.476 0.000 0.206) 3.482 6.914 ( -2.626 0.000 0.609) 2.696 7.295 ( -2.385 0.000 1.464) 2.799 7.407 ( -3.673 0.000 -2.085) 4.223 7.477 ( -2.178 0.000 0.915) 2.363 7.566 ( 6.092 0.000 0.148) 6.094 7.715 ( 1.920 0.000 4.426) 4.824 7.735 ( 3.581 0.000 -5.014) 6.162 7.798 ( -0.369 0.000 -3.190) 3.212 7.818 ( 1.466 0.000 -0.306) 1.498 8.695 ( -2.506 0.000 12.891) 13.132 8.908 ( 7.130 0.000 -11.224) 13.298 9.851 ( -8.957 0.000 4.074) 9.840 9.952 ( -2.970 0.000 -0.744) 3.062 10.104 ( 3.817 0.000 -2.730) 4.693 10.117 ( 3.513 0.000 -5.589) 6.601 12.766 ( -1.806 0.000 0.678) 1.930 12.835 ( 1.571 0.000 -0.822) 1.773 12.932 ( -0.844 0.000 -0.397) 0.933 12.967 ( 0.629 0.000 -0.123) 0.641 13.013 ( -2.303 0.000 1.387) 2.688 13.030 ( -0.258 0.000 -0.524) 0.584 13.071 ( -0.091 0.000 -0.476) 0.484 13.135 ( 1.943 0.000 -0.450) 1.994 13.606 ( -1.544 0.000 1.865) 2.421 13.642 ( 0.946 0.000 -1.590) 1.850 13.670 ( -0.615 0.000 1.589) 1.703 13.734 ( 2.817 0.000 -1.368) 3.132 13.762 ( -0.476 0.000 0.796) 0.928 13.767 ( -0.986 0.000 -0.566) 1.137 13.834 ( -0.819 0.000 1.738) 1.921 13.839 ( -1.152 0.000 -2.167) 2.454 17.271 ( -1.260 0.000 2.755) 3.030 17.320 ( 0.833 0.000 -1.550) 1.760 17.380 ( -3.221 0.000 2.037) 3.811 17.454 ( 0.190 0.000 -1.305) 1.319 17.713 ( 0.048 0.000 -0.818) 0.820 17.717 ( 0.171 0.000 0.314) 0.357 17.764 ( -0.277 0.000 0.462) 0.538 17.767 ( 0.059 0.000 -0.276) 0.282 17.814 ( -1.985 0.000 0.144) 1.991 17.863 ( -0.728 0.000 0.340) 0.804 17.878 ( -0.841 0.000 -1.078) 1.367 17.976 ( 5.592 0.000 -0.568) 5.621 18.065 ( -0.642 0.000 -0.541) 0.839 18.082 ( 0.589 0.000 0.262) 0.645 18.243 ( -0.992 0.000 0.100) 0.997 18.261 ( 0.203 0.000 0.693) 0.722 18.367 ( -2.254 0.000 1.442) 2.676 18.459 ( -1.863 0.000 -2.599) 3.198 18.461 ( -2.432 0.000 3.994) 4.676 18.494 ( 1.461 0.000 -0.672) 1.608 18.529 ( 1.443 0.000 2.113) 2.559 18.586 ( 4.053 0.000 -2.625) 4.829 18.625 ( -1.465 0.000 1.628) 2.190 18.723 ( 3.131 0.000 -0.086) 3.132 28.547 ( -0.790 0.000 0.233) 0.824 28.552 ( -0.141 0.000 -0.495) 0.515 28.576 ( 0.156 0.000 0.279) 0.320 28.597 ( 0.856 0.000 -0.722) 1.120 28.888 ( -0.443 0.000 1.019) 1.111 28.915 ( 0.592 0.000 -0.953) 1.122 28.943 ( 0.040 0.000 -0.077) 0.087 28.945 ( -0.080 0.000 0.127) 0.150 31.001 ( 1.293 0.000 -1.219) 1.777 31.011 ( 1.247 0.000 1.551) 1.990 31.333 ( -2.706 0.000 -3.801) 4.666 31.402 ( -0.630 0.000 -0.875) 1.078 31.559 ( 3.844 0.000 -1.123) 4.004 31.559 ( 6.796 0.000 -0.135) 6.797 32.101 ( 2.978 0.000 -8.317) 8.834 32.115 ( 4.182 0.000 8.456) 9.434 32.486 ( -0.520 0.000 1.766) 1.841 32.566 ( 2.768 0.000 -3.296) 4.304 32.706 ( -5.915 0.000 6.540) 8.818 32.876 ( 0.785 0.000 1.812) 1.975 32.990 ( 2.078 0.000 -2.106) 2.959 33.036 ( 5.302 0.000 -5.477) 7.623 33.523 ( -4.955 0.000 -2.493) 5.547 33.538 ( -0.333 0.000 -6.868) 6.876 33.578 ( 0.003 0.000 7.654) 7.654 33.783 ( 6.142 0.000 4.128) 7.400 34.435 ( -7.353 0.000 10.682) 12.967 34.476 ( 0.468 0.000 -4.621) 4.645 34.622 ( -0.302 0.000 0.608) 0.679 34.703 ( -2.927 0.000 -10.196) 10.608 34.868 ( -5.894 0.000 0.720) 5.938 34.886 ( -3.892 0.000 6.778) 7.816 ======================= Grid point 97 (51/66) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -12.781 0.000 2.469) 13.017 1.612 ( -0.050 0.000 -5.548) 5.549 1.683 ( 4.029 0.000 -3.643) 5.431 1.750 ( -3.081 0.000 -3.832) 4.917 1.998 ( 2.734 0.000 4.912) 5.622 2.104 ( 2.655 0.000 0.135) 2.659 2.160 ( 5.969 0.000 -1.362) 6.123 2.296 ( 3.007 0.000 7.452) 8.036 2.307 ( 11.108 0.000 5.366) 12.336 2.337 ( -13.050 0.000 -0.984) 13.087 2.462 ( 0.498 0.000 1.211) 1.309 2.477 ( -1.006 0.000 -2.429) 2.629 2.681 ( 1.146 0.000 -6.755) 6.851 2.751 ( -1.815 0.000 -3.339) 3.800 2.821 ( -5.745 0.000 -1.189) 5.866 2.900 ( 12.537 0.000 6.355) 14.056 2.917 ( -1.697 0.000 -5.897) 6.137 3.061 ( -11.165 0.000 0.896) 11.201 3.064 ( -4.099 0.000 4.325) 5.959 3.202 ( 0.393 0.000 1.315) 1.373 3.391 ( 4.582 0.000 6.678) 8.099 3.407 ( 4.717 0.000 0.773) 4.779 3.442 ( 4.381 0.000 -1.640) 4.678 3.455 ( 2.692 0.000 -0.219) 2.701 3.552 ( 2.415 0.000 2.305) 3.338 3.581 ( 3.219 0.000 -5.621) 6.477 3.620 ( -0.304 0.000 0.480) 0.569 3.699 ( -3.638 0.000 -0.886) 3.744 3.798 ( -1.910 0.000 -1.408) 2.373 3.862 ( 0.378 0.000 -3.845) 3.864 3.951 ( 1.240 0.000 6.306) 6.427 3.953 ( 1.946 0.000 2.663) 3.299 4.026 ( -3.098 0.000 1.842) 3.604 4.031 ( 2.539 0.000 -0.603) 2.610 4.162 ( 4.559 0.000 4.137) 6.156 4.168 ( 2.652 0.000 -4.252) 5.011 4.217 ( -4.196 0.000 -4.571) 6.205 4.255 ( -6.103 0.000 -5.017) 7.901 4.257 ( 3.317 0.000 1.314) 3.568 4.319 ( -1.762 0.000 -0.846) 1.955 4.576 ( -4.408 0.000 1.682) 4.718 4.583 ( -9.723 0.000 6.736) 11.828 4.683 ( 4.937 0.000 -4.524) 6.696 4.690 ( -4.727 0.000 -2.236) 5.229 4.771 ( 2.971 0.000 4.253) 5.188 4.853 ( -5.761 0.000 -0.987) 5.845 4.863 ( 5.081 0.000 5.874) 7.767 4.902 ( -1.526 0.000 -4.541) 4.790 5.091 ( -0.088 0.000 0.405) 0.415 5.235 ( -1.120 0.000 -6.160) 6.261 5.317 ( 3.809 0.000 -3.557) 5.212 5.347 ( 3.148 0.000 2.009) 3.734 5.419 ( 0.767 0.000 0.838) 1.136 5.429 ( 3.449 0.000 4.666) 5.803 5.532 ( -0.363 0.000 -2.056) 2.088 5.547 ( -2.862 0.000 -0.366) 2.885 5.589 ( -3.274 0.000 3.109) 4.515 5.598 ( 2.713 0.000 4.001) 4.834 5.711 ( 1.022 0.000 0.517) 1.145 5.718 ( 3.468 0.000 -4.359) 5.570 5.930 ( 0.619 0.000 -0.709) 0.941 5.959 ( 0.356 0.000 0.834) 0.907 6.067 ( -0.475 0.000 0.541) 0.720 6.098 ( 4.448 0.000 3.053) 5.395 6.136 ( 2.654 0.000 -1.157) 2.895 6.206 ( -0.656 0.000 7.945) 7.972 6.219 ( 1.421 0.000 -11.072) 11.163 6.298 ( -2.411 0.000 7.631) 8.003 6.318 ( -6.322 0.000 -0.662) 6.356 6.348 ( 0.748 0.000 -2.798) 2.896 6.529 ( -1.959 0.000 2.536) 3.204 6.571 ( 0.694 0.000 0.278) 0.748 6.632 ( -1.320 0.000 2.047) 2.436 6.727 ( -0.234 0.000 -4.650) 4.656 6.847 ( -3.841 0.000 -1.293) 4.053 6.856 ( -0.789 0.000 1.119) 1.369 7.279 ( -1.844 0.000 1.772) 2.557 7.315 ( -3.433 0.000 -2.719) 4.380 7.481 ( 1.640 0.000 1.467) 2.200 7.642 ( 1.315 0.000 -1.680) 2.133 7.749 ( 1.115 0.000 -0.245) 1.142 7.751 ( -1.187 0.000 4.120) 4.288 7.790 ( 3.570 0.000 -5.218) 6.322 7.839 ( 1.275 0.000 -1.392) 1.887 8.757 ( -3.950 0.000 15.879) 16.363 8.960 ( 9.154 0.000 -11.760) 14.903 9.709 ( -7.703 0.000 0.498) 7.719 9.862 ( -4.167 0.000 -6.484) 7.708 10.161 ( 4.142 0.000 -0.818) 4.222 10.162 ( 3.973 0.000 -0.924) 4.079 12.754 ( -0.303 0.000 1.439) 1.470 12.845 ( 0.458 0.000 -1.628) 1.691 12.923 ( 0.197 0.000 -0.414) 0.458 12.961 ( -2.864 0.000 0.776) 2.968 12.975 ( -0.124 0.000 -0.601) 0.613 13.018 ( -0.614 0.000 -0.880) 1.073 13.092 ( 1.454 0.000 1.190) 1.879 13.152 ( 0.668 0.000 -0.851) 1.082 13.595 ( -1.208 0.000 1.925) 2.273 13.651 ( 1.526 0.000 -2.219) 2.693 13.673 ( -0.625 0.000 2.114) 2.205 13.736 ( -1.864 0.000 -0.780) 2.021 13.761 ( -0.078 0.000 0.181) 0.197 13.776 ( 2.741 0.000 -1.217) 2.999 13.804 ( -0.838 0.000 -1.552) 1.764 13.825 ( -1.678 0.000 1.687) 2.379 17.273 ( -0.889 0.000 2.717) 2.859 17.321 ( 0.619 0.000 -1.498) 1.621 17.349 ( -2.458 0.000 3.041) 3.910 17.434 ( -0.647 0.000 -2.197) 2.290 17.713 ( 0.637 0.000 -0.745) 0.980 17.719 ( -0.000 0.000 -0.010) 0.010 17.760 ( -0.497 0.000 0.412) 0.645 17.766 ( -0.066 0.000 -0.237) 0.246 17.812 ( 0.720 0.000 1.141) 1.349 17.854 ( -1.083 0.000 -0.377) 1.147 17.864 ( 0.675 0.000 0.663) 0.947 18.025 ( -2.151 0.000 -1.920) 2.883 18.052 ( 3.086 0.000 -0.716) 3.168 18.089 ( -0.203 0.000 0.315) 0.374 18.247 ( 0.646 0.000 0.789) 1.020 18.263 ( -0.440 0.000 0.491) 0.659 18.362 ( 0.026 0.000 1.714) 1.714 18.422 ( -0.162 0.000 -2.464) 2.469 18.447 ( -1.613 0.000 1.391) 2.130 18.487 ( -0.951 0.000 -1.375) 1.672 18.548 ( -0.771 0.000 3.176) 3.268 18.630 ( 2.816 0.000 -2.649) 3.866 18.647 ( 1.430 0.000 3.506) 3.786 18.765 ( 1.384 0.000 -0.020) 1.384 28.534 ( -0.744 0.000 0.288) 0.798 28.545 ( -0.074 0.000 -0.720) 0.724 28.582 ( 0.169 0.000 0.416) 0.449 28.602 ( 0.447 0.000 -0.942) 1.042 28.890 ( -0.180 0.000 0.959) 0.976 28.914 ( 0.074 0.000 -0.697) 0.701 28.944 ( -0.168 0.000 0.252) 0.303 28.946 ( 0.436 0.000 -0.337) 0.551 31.002 ( 0.678 0.000 -2.520) 2.610 31.016 ( -2.019 0.000 1.352) 2.430 31.317 ( 2.162 0.000 -1.190) 2.468 31.399 ( 2.209 0.000 -4.073) 4.634 31.605 ( 2.245 0.000 -0.072) 2.246 31.638 ( 3.094 0.000 -1.098) 3.283 32.126 ( 6.878 0.000 -8.134) 10.652 32.181 ( -4.009 0.000 5.450) 6.766 32.503 ( 0.645 0.000 1.654) 1.775 32.585 ( 2.320 0.000 -3.580) 4.266 32.730 ( 1.680 0.000 10.484) 10.618 32.891 ( -0.790 0.000 2.364) 2.493 33.014 ( 2.527 0.000 -2.008) 3.228 33.101 ( 6.065 0.000 -4.464) 7.530 33.420 ( -4.434 0.000 -0.059) 4.434 33.473 ( -1.337 0.000 -6.345) 6.484 33.676 ( 3.221 0.000 8.217) 8.826 33.895 ( 3.210 0.000 2.801) 4.261 34.333 ( -10.892 0.000 8.399) 13.754 34.490 ( 5.381 0.000 -8.122) 9.743 34.528 ( -6.009 0.000 -8.215) 10.178 34.612 ( -3.002 0.000 0.433) 3.033 34.804 ( -1.978 0.000 2.494) 3.183 34.858 ( -5.415 0.000 6.097) 8.154 ======================= Grid point 98 (52/66) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -11.919 0.000 11.224) 16.372 1.532 ( -5.205 0.000 -0.587) 5.238 1.673 ( -1.929 0.000 0.985) 2.166 1.687 ( 0.170 0.000 -1.499) 1.509 2.108 ( -4.453 0.000 0.360) 4.468 2.116 ( 5.763 0.000 0.727) 5.809 2.165 ( -7.056 0.000 2.394) 7.451 2.247 ( 6.803 0.000 -1.728) 7.019 2.350 ( -4.684 0.000 2.496) 5.307 2.433 ( 0.693 0.000 -7.385) 7.417 2.488 ( 1.150 0.000 6.188) 6.294 2.559 ( 6.490 0.000 3.250) 7.258 2.651 ( 1.424 0.000 -4.071) 4.313 2.665 ( -5.725 0.000 -2.027) 6.073 2.763 ( 3.263 0.000 -2.002) 3.828 2.776 ( -2.318 0.000 -5.714) 6.167 2.989 ( -3.978 0.000 4.263) 5.830 3.053 ( 4.895 0.000 1.324) 5.071 3.191 ( 9.223 0.000 5.983) 10.994 3.218 ( -0.215 0.000 3.697) 3.703 3.346 ( -3.558 0.000 -5.546) 6.589 3.352 ( -7.758 0.000 -9.162) 12.006 3.495 ( -0.575 0.000 5.826) 5.854 3.529 ( -1.148 0.000 1.100) 1.590 3.562 ( -0.332 0.000 2.837) 2.856 3.613 ( 3.566 0.000 -4.112) 5.443 3.691 ( 1.223 0.000 1.679) 2.077 3.703 ( 3.106 0.000 0.236) 3.115 3.813 ( 5.370 0.000 6.587) 8.499 3.846 ( -1.532 0.000 0.512) 1.615 3.882 ( -4.400 0.000 0.367) 4.416 3.979 ( -1.067 0.000 -2.334) 2.566 4.042 ( 3.465 0.000 3.504) 4.928 4.060 ( -5.368 0.000 2.652) 5.987 4.128 ( -2.325 0.000 -3.263) 4.006 4.132 ( -2.633 0.000 -4.628) 5.324 4.223 ( 1.993 0.000 -1.032) 2.245 4.254 ( 2.743 0.000 -1.456) 3.106 4.282 ( -2.770 0.000 4.632) 5.397 4.334 ( 4.848 0.000 -1.702) 5.138 4.449 ( -5.666 0.000 2.578) 6.225 4.545 ( 3.011 0.000 -2.050) 3.643 4.646 ( 1.424 0.000 -1.015) 1.749 4.691 ( 0.064 0.000 -2.780) 2.781 4.757 ( 1.776 0.000 -1.271) 2.184 4.789 ( -3.810 0.000 -3.845) 5.413 4.895 ( 1.043 0.000 6.287) 6.373 4.995 ( 4.589 0.000 -2.660) 5.304 5.144 ( 2.658 0.000 2.594) 3.714 5.177 ( -0.673 0.000 -2.159) 2.261 5.362 ( -1.470 0.000 0.618) 1.595 5.364 ( 1.109 0.000 -0.963) 1.469 5.412 ( -8.725 0.000 -1.483) 8.850 5.423 ( 4.069 0.000 -1.958) 4.516 5.516 ( -1.046 0.000 1.673) 1.974 5.521 ( -1.378 0.000 1.042) 1.728 5.598 ( -0.086 0.000 5.388) 5.389 5.664 ( 1.090 0.000 1.470) 1.830 5.737 ( 2.818 0.000 -4.472) 5.286 5.738 ( 2.702 0.000 -1.544) 3.113 5.926 ( -1.678 0.000 2.821) 3.282 5.946 ( -2.669 0.000 3.642) 4.515 6.059 ( -1.553 0.000 0.178) 1.563 6.159 ( 2.490 0.000 -7.193) 7.612 6.170 ( -5.069 0.000 1.722) 5.353 6.179 ( 3.102 0.000 0.097) 3.103 6.234 ( 6.344 0.000 -0.125) 6.345 6.239 ( -2.214 0.000 -0.544) 2.280 6.319 ( -2.132 0.000 3.009) 3.688 6.384 ( 5.599 0.000 -3.819) 6.778 6.533 ( -0.589 0.000 4.534) 4.572 6.583 ( 0.437 0.000 -0.387) 0.584 6.628 ( -0.098 0.000 2.066) 2.068 6.647 ( -4.670 0.000 -0.575) 4.705 6.809 ( 0.078 0.000 1.217) 1.220 6.867 ( 1.933 0.000 -4.113) 4.545 7.248 ( -2.635 0.000 1.753) 3.165 7.284 ( 1.885 0.000 -1.789) 2.599 7.545 ( 3.830 0.000 1.916) 4.283 7.585 ( -4.107 0.000 -2.429) 4.771 7.741 ( -3.362 0.000 3.624) 4.944 7.791 ( 1.678 0.000 1.550) 2.285 7.813 ( 2.682 0.000 -3.947) 4.772 7.827 ( -1.342 0.000 -1.822) 2.262 8.764 ( -8.339 0.000 14.726) 16.923 9.052 ( 12.433 0.000 -13.714) 18.511 9.652 ( -0.065 0.000 2.744) 2.745 9.739 ( -3.621 0.000 -6.698) 7.614 10.205 ( 1.311 0.000 -0.666) 1.471 10.207 ( 1.040 0.000 -1.273) 1.644 12.776 ( 1.045 0.000 2.107) 2.352 12.823 ( -0.800 0.000 -2.825) 2.936 12.923 ( -1.788 0.000 0.888) 1.996 12.934 ( 1.540 0.000 -0.316) 1.572 12.981 ( 0.597 0.000 0.442) 0.743 12.996 ( -1.017 0.000 -1.013) 1.435 13.123 ( 0.820 0.000 1.315) 1.550 13.145 ( -0.691 0.000 -1.066) 1.270 13.598 ( -0.379 0.000 2.264) 2.296 13.647 ( 0.185 0.000 -2.829) 2.835 13.682 ( -0.024 0.000 2.046) 2.046 13.712 ( 0.156 0.000 -0.792) 0.807 13.763 ( 0.198 0.000 0.132) 0.237 13.770 ( -0.844 0.000 -0.885) 1.223 13.802 ( -2.288 0.000 1.286) 2.624 13.827 ( 3.000 0.000 -1.278) 3.261 17.279 ( -0.756 0.000 2.526) 2.637 17.319 ( 0.526 0.000 -1.617) 1.701 17.345 ( -0.973 0.000 3.988) 4.105 17.411 ( 0.268 0.000 -2.755) 2.768 17.713 ( -0.823 0.000 0.290) 0.873 17.721 ( 0.633 0.000 -0.574) 0.855 17.760 ( 0.399 0.000 -0.076) 0.406 17.762 ( 0.210 0.000 -0.430) 0.478 17.833 ( 0.654 0.000 0.706) 0.962 17.839 ( -0.667 0.000 -0.023) 0.667 17.905 ( 2.688 0.000 2.393) 3.599 17.957 ( -3.299 0.000 -2.684) 4.253 18.077 ( -1.415 0.000 0.218) 1.432 18.087 ( 1.496 0.000 -0.707) 1.654 18.255 ( -0.929 0.000 0.645) 1.131 18.264 ( 0.822 0.000 0.174) 0.840 18.373 ( -0.898 0.000 1.999) 2.192 18.420 ( 1.743 0.000 -2.298) 2.884 18.440 ( 0.712 0.000 0.063) 0.715 18.453 ( -1.391 0.000 -1.388) 1.965 18.564 ( -1.078 0.000 4.669) 4.792 18.637 ( 0.633 0.000 -3.070) 3.135 18.706 ( 1.938 0.000 3.840) 4.301 18.760 ( -1.168 0.000 -1.670) 2.038 28.528 ( -0.223 0.000 0.449) 0.502 28.540 ( 0.212 0.000 -0.760) 0.789 28.586 ( -0.122 0.000 0.546) 0.560 28.600 ( 0.161 0.000 -0.910) 0.924 28.895 ( -0.129 0.000 0.926) 0.935 28.909 ( -0.054 0.000 -0.573) 0.576 28.943 ( -0.165 0.000 0.255) 0.304 28.951 ( 0.361 0.000 -0.499) 0.616 30.976 ( -3.439 0.000 1.727) 3.849 31.004 ( 1.475 0.000 -1.412) 2.042 31.347 ( 1.038 0.000 0.416) 1.119 31.391 ( 0.095 0.000 -4.915) 4.915 31.633 ( 0.510 0.000 0.668) 0.841 31.655 ( 0.016 0.000 -1.473) 1.473 32.086 ( -9.986 0.000 5.336) 11.322 32.204 ( 8.152 0.000 -6.328) 10.320 32.522 ( -0.313 0.000 2.454) 2.474 32.585 ( 0.823 0.000 -3.967) 4.051 32.855 ( 3.731 0.000 5.704) 6.816 32.892 ( -0.132 0.000 0.401) 0.422 33.048 ( 2.037 0.000 0.399) 2.076 33.136 ( 1.839 0.000 -6.956) 7.196 33.368 ( -3.122 0.000 2.636) 4.086 33.407 ( -1.964 0.000 -2.351) 3.063 33.800 ( 3.706 0.000 8.384) 9.166 33.922 ( -0.051 0.000 -3.681) 3.682 34.253 ( -4.314 0.000 7.733) 8.855 34.368 ( -1.798 0.000 -5.201) 5.503 34.510 ( -9.123 0.000 2.755) 9.530 34.597 ( 8.567 0.000 -5.728) 10.305 34.810 ( -3.155 0.000 3.515) 4.723 34.848 ( 5.246 0.000 -0.172) 5.248 ======================= Grid point 99 (53/66) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -7.757 0.000 20.143) 21.585 1.509 ( -2.012 0.000 10.182) 10.379 1.652 ( -5.639 0.000 -0.943) 5.718 1.683 ( -0.647 0.000 4.677) 4.721 2.031 ( -1.670 0.000 2.111) 2.692 2.115 ( -2.597 0.000 3.466) 4.331 2.140 ( -0.895 0.000 -1.673) 1.897 2.322 ( -3.985 0.000 10.146) 10.900 2.334 ( 3.107 0.000 -6.694) 7.380 2.351 ( -9.834 0.000 -0.608) 9.853 2.424 ( 1.490 0.000 2.392) 2.817 2.519 ( -3.402 0.000 -6.619) 7.442 2.626 ( -1.609 0.000 -1.765) 2.388 2.673 ( 1.486 0.000 3.131) 3.466 2.822 ( 6.544 0.000 -1.095) 6.635 2.874 ( 5.424 0.000 -3.038) 6.217 3.035 ( 8.107 0.000 5.049) 9.551 3.098 ( -8.583 0.000 -11.487) 14.339 3.156 ( 6.507 0.000 -5.998) 8.850 3.252 ( -1.397 0.000 -2.504) 2.868 3.296 ( 2.724 0.000 10.844) 11.181 3.339 ( 0.898 0.000 5.529) 5.602 3.447 ( -6.890 0.000 1.441) 7.039 3.497 ( -3.215 0.000 2.028) 3.801 3.546 ( -5.340 0.000 -7.571) 9.265 3.618 ( 2.242 0.000 -1.939) 2.964 3.660 ( -3.345 0.000 -2.871) 4.408 3.683 ( -0.318 0.000 0.586) 0.666 3.828 ( 0.493 0.000 -3.602) 3.635 3.841 ( -1.543 0.000 -0.751) 1.716 3.913 ( -12.471 0.000 5.369) 13.577 4.020 ( 3.998 0.000 5.235) 6.586 4.046 ( 8.195 0.000 -0.140) 8.196 4.059 ( -4.976 0.000 0.021) 4.976 4.064 ( 2.381 0.000 1.146) 2.642 4.130 ( 3.213 0.000 2.576) 4.118 4.172 ( -5.865 0.000 -1.130) 5.973 4.208 ( -0.197 0.000 1.643) 1.654 4.298 ( 0.912 0.000 -0.684) 1.140 4.342 ( 0.045 0.000 -5.132) 5.132 4.520 ( 6.061 0.000 4.703) 7.672 4.636 ( -3.592 0.000 -1.363) 3.842 4.711 ( 14.633 0.000 -0.965) 14.664 4.721 ( 6.747 0.000 -3.761) 7.724 4.769 ( 3.743 0.000 -0.629) 3.795 4.800 ( 0.455 0.000 5.265) 5.285 4.937 ( 0.305 0.000 -0.772) 0.830 4.973 ( -2.145 0.000 -9.998) 10.226 5.163 ( -3.871 0.000 -6.757) 7.788 5.167 ( -0.427 0.000 0.935) 1.028 5.225 ( -3.684 0.000 5.254) 6.417 5.329 ( -4.454 0.000 2.401) 5.060 5.379 ( -1.051 0.000 4.058) 4.192 5.463 ( -4.814 0.000 1.375) 5.006 5.503 ( -0.402 0.000 0.894) 0.980 5.543 ( 6.384 0.000 0.691) 6.422 5.598 ( -3.595 0.000 3.734) 5.183 5.652 ( -0.216 0.000 -3.993) 3.999 5.729 ( -1.469 0.000 -4.209) 4.458 5.754 ( 2.175 0.000 -2.766) 3.519 5.928 ( -0.980 0.000 2.492) 2.678 5.955 ( -0.538 0.000 1.522) 1.614 6.021 ( -2.885 0.000 3.365) 4.433 6.105 ( -4.030 0.000 -0.078) 4.031 6.120 ( -0.542 0.000 -4.243) 4.278 6.184 ( -2.159 0.000 -2.984) 3.683 6.278 ( 3.908 0.000 0.991) 4.032 6.294 ( -1.204 0.000 2.230) 2.534 6.342 ( 7.616 0.000 -2.506) 8.018 6.430 ( 5.111 0.000 -6.978) 8.650 6.555 ( -0.420 0.000 1.935) 1.980 6.571 ( -0.515 0.000 -1.241) 1.343 6.625 ( 0.256 0.000 4.356) 4.364 6.664 ( 1.105 0.000 2.456) 2.693 6.846 ( 1.736 0.000 2.069) 2.701 6.865 ( 2.898 0.000 -4.423) 5.288 7.254 ( 1.857 0.000 3.366) 3.845 7.319 ( 2.501 0.000 -2.271) 3.379 7.513 ( -1.577 0.000 -1.934) 2.496 7.607 ( 0.184 0.000 2.048) 2.056 7.697 ( -4.075 0.000 3.137) 5.143 7.778 ( -2.240 0.000 -1.252) 2.566 7.804 ( -1.134 0.000 0.804) 1.390 7.825 ( 1.459 0.000 -2.286) 2.712 8.721 ( -7.737 0.000 12.270) 14.505 9.114 ( 6.786 0.000 -20.694) 21.778 9.708 ( 5.483 0.000 0.336) 5.493 9.724 ( 3.437 0.000 6.610) 7.450 10.166 ( -4.063 0.000 -1.670) 4.393 10.189 ( -1.734 0.000 -2.286) 2.869 12.791 ( -0.220 0.000 -2.471) 2.480 12.810 ( 0.805 0.000 1.895) 2.059 12.912 ( -0.267 0.000 0.722) 0.770 12.965 ( 0.500 0.000 0.124) 0.515 12.979 ( 1.525 0.000 -0.772) 1.710 12.997 ( 0.478 0.000 1.176) 1.270 13.115 ( -1.791 0.000 -1.156) 2.131 13.135 ( -0.284 0.000 0.909) 0.952 13.605 ( -0.938 0.000 2.315) 2.498 13.633 ( 0.701 0.000 -2.094) 2.208 13.706 ( 0.682 0.000 1.992) 2.106 13.714 ( 0.635 0.000 -1.990) 2.088 13.758 ( -0.085 0.000 0.294) 0.306 13.762 ( -1.427 0.000 0.588) 1.543 13.781 ( 0.222 0.000 0.764) 0.795 13.861 ( 2.285 0.000 -1.882) 2.961 17.284 ( -0.924 0.000 2.413) 2.583 17.317 ( 0.666 0.000 -1.774) 1.895 17.374 ( 0.778 0.000 4.068) 4.142 17.405 ( 1.350 0.000 -2.611) 2.939 17.702 ( -0.612 0.000 0.412) 0.738 17.719 ( -0.398 0.000 -0.078) 0.405 17.766 ( 0.302 0.000 -0.198) 0.362 17.774 ( 1.559 0.000 -1.139) 1.931 17.827 ( -0.624 0.000 -0.283) 0.685 17.847 ( 0.574 0.000 0.514) 0.771 17.888 ( -2.059 0.000 -1.925) 2.819 17.973 ( 2.300 0.000 3.097) 3.857 18.044 ( -2.399 0.000 -0.054) 2.400 18.094 ( -0.141 0.000 -0.312) 0.343 18.243 ( -0.976 0.000 0.737) 1.223 18.277 ( 0.855 0.000 -0.625) 1.059 18.372 ( -0.472 0.000 2.343) 2.390 18.408 ( -0.339 0.000 -2.669) 2.691 18.464 ( 3.101 0.000 -0.745) 3.189 18.465 ( 1.289 0.000 0.846) 1.542 18.566 ( -2.817 0.000 4.105) 4.979 18.611 ( -0.803 0.000 -3.027) 3.132 18.713 ( -1.845 0.000 -3.013) 3.533 18.750 ( 0.072 0.000 1.808) 1.809 28.533 ( 0.261 0.000 0.527) 0.588 28.542 ( 0.639 0.000 -0.572) 0.858 28.587 ( -0.329 0.000 0.643) 0.722 28.593 ( -0.217 0.000 -0.791) 0.820 28.898 ( -0.396 0.000 0.983) 1.060 28.906 ( 0.177 0.000 -0.639) 0.663 28.943 ( -0.047 0.000 0.095) 0.106 28.951 ( 0.128 0.000 -0.442) 0.460 30.946 ( -1.762 0.000 3.144) 3.604 31.021 ( 0.319 0.000 0.442) 0.546 31.322 ( -4.455 0.000 -2.409) 5.064 31.364 ( 1.275 0.000 0.241) 1.298 31.618 ( -2.742 0.000 -1.423) 3.089 31.623 ( -2.159 0.000 0.341) 2.186 31.973 ( -7.900 0.000 7.279) 10.742 32.278 ( 3.831 0.000 -4.156) 5.653 32.524 ( -1.636 0.000 2.677) 3.137 32.560 ( 0.265 0.000 -4.139) 4.147 32.890 ( 1.460 0.000 -4.715) 4.935 32.924 ( 2.438 0.000 -0.310) 2.458 33.045 ( -4.115 0.000 0.774) 4.187 33.060 ( -2.539 0.000 -8.286) 8.666 33.362 ( -0.745 0.000 5.623) 5.672 33.395 ( 0.790 0.000 2.022) 2.171 33.844 ( -2.514 0.000 -8.678) 9.035 33.894 ( 0.382 0.000 4.339) 4.356 34.298 ( -0.687 0.000 10.330) 10.352 34.408 ( -2.667 0.000 4.278) 5.041 34.409 ( 7.520 0.000 0.329) 7.528 34.635 ( -0.896 0.000 -1.767) 1.981 34.847 ( 6.256 0.000 -2.363) 6.687 34.950 ( 7.317 0.000 -3.167) 7.973 ======================= Grid point 100 (54/66) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -15.654 0.000 10.576) 18.892 1.408 ( -1.979 0.000 23.249) 23.333 1.621 ( -9.955 0.000 1.147) 10.020 1.702 ( 6.741 0.000 9.112) 11.334 2.036 ( -0.457 0.000 -6.020) 6.038 2.130 ( -0.397 0.000 1.425) 1.480 2.137 ( 6.756 0.000 0.172) 6.758 2.223 ( -2.680 0.000 -1.265) 2.963 2.277 ( -6.284 0.000 2.598) 6.800 2.330 ( -6.757 0.000 -5.283) 8.577 2.434 ( 2.216 0.000 13.423) 13.605 2.551 ( 8.130 0.000 -1.336) 8.239 2.646 ( 3.420 0.000 4.669) 5.788 2.774 ( 3.684 0.000 1.533) 3.991 2.824 ( -5.952 0.000 0.830) 6.009 2.856 ( -0.066 0.000 -5.260) 5.261 2.991 ( 5.005 0.000 -7.474) 8.995 3.181 ( -1.286 0.000 2.815) 3.095 3.190 ( 2.026 0.000 -2.069) 2.896 3.221 ( -1.998 0.000 -3.170) 3.748 3.308 ( -5.986 0.000 -0.517) 6.009 3.331 ( -4.650 0.000 -0.137) 4.652 3.427 ( 2.687 0.000 1.415) 3.037 3.458 ( 7.810 0.000 -6.467) 10.140 3.490 ( -2.539 0.000 2.962) 3.901 3.554 ( -1.506 0.000 -1.022) 1.820 3.619 ( 2.242 0.000 -1.138) 2.515 3.693 ( -3.626 0.000 3.823) 5.269 3.803 ( -0.038 0.000 -0.875) 0.876 3.832 ( 2.488 0.000 2.328) 3.408 3.837 ( -4.310 0.000 6.954) 8.181 3.946 ( -4.769 0.000 -3.690) 6.029 4.014 ( -4.672 0.000 3.333) 5.739 4.045 ( 0.967 0.000 -7.882) 7.941 4.153 ( -1.437 0.000 -2.797) 3.145 4.185 ( 6.751 0.000 -1.493) 6.914 4.220 ( 1.282 0.000 2.729) 3.016 4.293 ( 2.216 0.000 -0.594) 2.294 4.306 ( 2.763 0.000 3.992) 4.855 4.314 ( 4.052 0.000 -0.347) 4.067 4.532 ( -5.972 0.000 -3.543) 6.944 4.630 ( 3.225 0.000 0.657) 3.291 4.756 ( -6.762 0.000 -6.278) 9.227 4.794 ( -4.856 0.000 -3.046) 5.732 4.831 ( 4.950 0.000 0.192) 4.954 4.869 ( 4.427 0.000 -1.812) 4.783 4.922 ( 2.505 0.000 3.468) 4.278 4.945 ( 9.240 0.000 -1.265) 9.326 5.045 ( -4.132 0.000 3.012) 5.113 5.188 ( -0.748 0.000 2.259) 2.380 5.246 ( -5.123 0.000 4.030) 6.519 5.279 ( 3.514 0.000 1.747) 3.924 5.411 ( -2.518 0.000 -1.133) 2.761 5.427 ( 2.457 0.000 1.064) 2.678 5.497 ( -1.394 0.000 1.416) 1.987 5.529 ( -5.288 0.000 1.040) 5.390 5.562 ( -2.099 0.000 -3.495) 4.077 5.663 ( 2.324 0.000 -0.326) 2.347 5.684 ( -0.209 0.000 -1.739) 1.752 5.761 ( 1.493 0.000 -5.044) 5.261 5.888 ( -4.124 0.000 -0.772) 4.196 5.916 ( -1.641 0.000 0.634) 1.759 6.011 ( -3.007 0.000 4.003) 5.007 6.091 ( -0.388 0.000 -1.828) 1.869 6.108 ( 2.030 0.000 6.058) 6.388 6.146 ( 0.687 0.000 -3.122) 3.196 6.269 ( -1.108 0.000 -4.567) 4.699 6.328 ( 2.116 0.000 3.628) 4.200 6.402 ( 1.973 0.000 -4.849) 5.235 6.485 ( 2.190 0.000 -4.309) 4.834 6.553 ( -0.828 0.000 -0.648) 1.052 6.572 ( 3.753 0.000 -1.644) 4.098 6.641 ( -1.150 0.000 1.443) 1.845 6.682 ( -0.687 0.000 1.244) 1.421 6.885 ( 1.302 0.000 1.799) 2.221 6.923 ( 4.856 0.000 -1.222) 5.008 7.328 ( 1.948 0.000 -2.125) 2.883 7.340 ( 2.737 0.000 4.661) 5.405 7.504 ( 1.316 0.000 -1.774) 2.208 7.568 ( -3.574 0.000 0.492) 3.608 7.648 ( -4.693 0.000 2.722) 5.425 7.770 ( 1.127 0.000 0.848) 1.410 7.773 ( -2.190 0.000 -0.924) 2.377 7.827 ( 0.738 0.000 -1.923) 2.060 8.688 ( -6.311 0.000 10.977) 12.662 8.991 ( -0.880 0.000 -18.130) 18.151 9.837 ( 2.619 0.000 8.252) 8.657 9.905 ( 14.215 0.000 -1.116) 14.259 10.073 ( -5.444 0.000 0.241) 5.450 10.131 ( -1.848 0.000 -3.732) 4.165 12.787 ( 1.397 0.000 -1.547) 2.085 12.820 ( -0.876 0.000 0.794) 1.182 12.923 ( 0.877 0.000 0.607) 1.066 12.957 ( -0.507 0.000 0.485) 0.701 13.012 ( 0.048 0.000 1.392) 1.393 13.031 ( 3.658 0.000 -0.426) 3.682 13.074 ( -1.825 0.000 -0.714) 1.960 13.127 ( -1.169 0.000 0.278) 1.202 13.605 ( -0.793 0.000 2.105) 2.250 13.639 ( 1.290 0.000 -1.551) 2.017 13.702 ( 0.080 0.000 -1.765) 1.767 13.705 ( -2.241 0.000 1.508) 2.701 13.756 ( 0.281 0.000 0.762) 0.812 13.768 ( 0.787 0.000 0.031) 0.788 13.806 ( 1.106 0.000 1.308) 1.713 13.875 ( 1.166 0.000 -2.361) 2.633 17.282 ( -1.334 0.000 2.384) 2.731 17.316 ( 0.832 0.000 -1.874) 2.050 17.417 ( 0.518 0.000 2.674) 2.724 17.418 ( 2.129 0.000 -1.854) 2.823 17.701 ( -0.008 0.000 0.536) 0.536 17.719 ( 0.406 0.000 0.084) 0.414 17.766 ( -0.055 0.000 -0.196) 0.203 17.782 ( 0.320 0.000 -1.412) 1.448 17.819 ( 0.952 0.000 -0.507) 1.078 17.860 ( 0.289 0.000 0.856) 0.903 17.875 ( 1.202 0.000 -0.740) 1.411 17.967 ( -4.436 0.000 0.476) 4.461 18.044 ( 1.469 0.000 1.367) 2.006 18.081 ( -1.165 0.000 0.259) 1.193 18.236 ( -0.250 0.000 0.662) 0.707 18.282 ( 0.492 0.000 -1.406) 1.490 18.400 ( 1.079 0.000 3.431) 3.597 18.402 ( 1.959 0.000 -2.039) 2.827 18.482 ( -0.421 0.000 0.671) 0.792 18.515 ( 3.516 0.000 -1.675) 3.895 18.527 ( -4.807 0.000 3.526) 5.961 18.570 ( -1.728 0.000 -2.293) 2.871 18.670 ( -0.215 0.000 -2.772) 2.780 18.723 ( -3.614 0.000 -0.053) 3.615 28.543 ( 0.433 0.000 0.414) 0.599 28.552 ( 0.787 0.000 -0.362) 0.866 28.583 ( -0.276 0.000 -0.480) 0.554 28.584 ( -0.563 0.000 0.630) 0.845 28.896 ( -0.726 0.000 1.032) 1.262 28.906 ( 0.512 0.000 -0.838) 0.982 28.943 ( 0.099 0.000 -0.040) 0.107 28.949 ( -0.051 0.000 -0.276) 0.280 30.957 ( -0.523 0.000 3.365) 3.405 31.012 ( -1.802 0.000 1.015) 2.068 31.264 ( -0.384 0.000 3.079) 3.103 31.409 ( 4.365 0.000 -0.918) 4.460 31.554 ( -3.843 0.000 -0.554) 3.883 31.562 ( -4.955 0.000 -0.719) 5.007 31.936 ( -3.071 0.000 8.142) 8.702 32.248 ( -3.068 0.000 -4.593) 5.524 32.510 ( -2.157 0.000 2.525) 3.321 32.546 ( 1.656 0.000 -4.417) 4.717 32.863 ( 2.193 0.000 -9.560) 9.808 32.914 ( -5.329 0.000 -1.042) 5.430 32.973 ( -0.999 0.000 0.260) 1.032 32.994 ( 0.345 0.000 -3.148) 3.167 33.413 ( 1.149 0.000 5.835) 5.947 33.459 ( 3.842 0.000 3.924) 5.492 33.741 ( -1.381 0.000 -9.161) 9.265 33.846 ( -6.864 0.000 -0.918) 6.925 34.342 ( -0.398 0.000 9.226) 9.234 34.506 ( 4.142 0.000 8.871) 9.790 34.572 ( 9.504 0.000 1.391) 9.606 34.585 ( -3.210 0.000 -0.609) 3.267 34.922 ( 4.501 0.000 -4.715) 6.518 35.015 ( 3.475 0.000 -6.179) 7.089 ======================= Grid point 101 (55/66) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.226 2.132 10.690) 10.902 1.473 ( 2.981 -3.739 7.712) 9.074 1.541 ( -3.319 5.768 11.639) 13.408 1.811 ( 1.303 -1.076 -8.820) 8.980 1.967 ( 1.456 -5.556 3.035) 6.496 2.021 ( -3.111 -6.052 -2.857) 7.381 2.129 ( -3.121 0.702 3.705) 4.895 2.204 ( 5.261 4.181 -3.642) 7.644 2.317 ( -5.706 5.336 5.777) 9.716 2.425 ( 3.238 4.743 -3.429) 6.688 2.516 ( 0.144 -3.166 4.889) 5.826 2.574 ( -4.048 -5.119 -2.461) 6.975 2.696 ( 4.900 -0.382 4.749) 6.834 2.703 ( -3.570 -4.161 2.345) 5.963 2.761 ( 5.846 -6.995 1.586) 9.254 2.843 ( -3.879 1.669 -7.628) 8.718 2.983 ( 0.013 -0.655 6.113) 6.148 3.075 ( -2.429 -0.880 1.050) 2.789 3.106 ( 3.286 -3.287 -4.041) 6.159 3.186 ( 0.505 0.086 -5.380) 5.404 3.300 ( 0.832 2.084 2.976) 3.727 3.324 ( -2.443 -0.467 3.137) 4.003 3.417 ( -8.004 3.244 2.774) 9.071 3.450 ( 4.014 -3.556 -3.121) 6.205 3.463 ( -1.340 -6.885 1.544) 7.182 3.522 ( 2.057 -5.613 -0.600) 6.008 3.612 ( 1.297 -7.347 -0.402) 7.471 3.628 ( 0.151 -5.019 -1.967) 5.393 3.731 ( 3.650 3.481 7.925) 9.394 3.806 ( 0.169 0.190 -0.143) 0.291 3.876 ( -5.447 -6.049 -1.691) 8.313 3.886 ( 4.642 -1.062 -0.156) 4.765 3.994 ( 0.134 -1.310 -3.026) 3.300 4.034 ( -2.741 2.266 2.151) 4.156 4.059 ( -1.392 -0.928 -4.964) 5.238 4.144 ( 6.566 -5.896 -2.497) 9.171 4.253 ( 0.085 1.358 -1.142) 1.776 4.301 ( 1.957 0.620 -5.119) 5.515 4.434 ( 0.533 5.149 -1.870) 5.504 4.453 ( -0.784 7.191 -3.781) 8.162 4.544 ( 4.548 1.832 3.511) 6.030 4.598 ( -4.675 -0.939 -2.671) 5.465 4.715 ( -1.412 5.212 2.303) 5.871 4.721 ( -3.798 0.536 1.378) 4.076 4.838 ( 1.966 0.542 3.070) 3.686 4.897 ( -1.962 -0.288 -2.891) 3.505 4.961 ( -0.741 1.363 3.616) 3.934 5.054 ( -1.761 1.982 -4.439) 5.170 5.159 ( -0.332 3.895 5.975) 7.141 5.194 ( 1.005 0.538 3.123) 3.325 5.275 ( -1.511 3.122 7.812) 8.547 5.356 ( 1.015 0.391 -0.779) 1.338 5.361 ( -0.876 3.019 -1.097) 3.330 5.416 ( -3.009 -2.132 2.221) 4.305 5.447 ( 3.483 0.123 -4.557) 5.736 5.508 ( 2.487 -2.119 -6.468) 7.247 5.571 ( 1.550 0.590 -0.955) 1.914 5.596 ( -3.270 0.728 -3.202) 4.634 5.744 ( 3.247 3.735 1.956) 5.321 5.782 ( -2.827 4.106 -1.732) 5.277 5.880 ( -0.480 -0.059 3.660) 3.691 5.927 ( 1.112 0.464 -1.263) 1.746 6.078 ( -0.681 4.491 0.897) 4.630 6.091 ( 0.420 2.674 2.250) 3.520 6.158 ( -0.720 0.307 -0.281) 0.832 6.187 ( 1.387 -1.319 4.236) 4.648 6.250 ( 0.029 2.890 -1.627) 3.316 6.334 ( 0.172 -1.826 -2.506) 3.105 6.388 ( -0.326 -2.115 -1.838) 2.821 6.427 ( -3.127 -0.008 -5.118) 5.997 6.526 ( 1.109 -1.066 2.660) 3.073 6.584 ( 0.450 -0.710 -3.457) 3.558 6.623 ( -0.003 -3.066 1.826) 3.568 6.652 ( 0.512 -0.874 -0.217) 1.036 6.873 ( -2.209 -4.809 1.295) 5.448 6.884 ( 1.650 -2.698 0.265) 3.173 7.383 ( 0.034 1.372 0.541) 1.475 7.407 ( 0.568 -0.576 -1.609) 1.801 7.485 ( 0.221 1.290 1.493) 1.985 7.517 ( -0.271 1.273 -1.842) 2.255 7.692 ( -0.032 1.338 2.556) 2.885 7.737 ( 0.166 -1.060 -1.600) 1.926 7.835 ( -1.804 3.780 1.507) 4.451 7.870 ( 3.416 5.633 -2.084) 6.910 8.672 ( -3.529 0.090 7.916) 8.668 8.854 ( 2.859 -3.635 -10.438) 11.417 9.874 ( -1.682 -2.646 6.184) 6.933 9.964 ( 2.321 -4.680 -2.039) 5.608 10.069 ( 0.424 2.474 0.873) 2.657 10.141 ( 0.761 2.689 -7.215) 7.737 12.798 ( -1.703 0.156 0.205) 1.723 12.807 ( 1.831 -0.106 -0.814) 2.006 12.925 ( 0.844 -1.844 0.948) 2.238 12.939 ( -0.835 -1.527 -0.485) 1.807 13.011 ( -0.719 -0.112 1.168) 1.376 13.036 ( 0.717 -0.397 -1.335) 1.567 13.077 ( 1.166 -0.649 1.182) 1.783 13.098 ( -0.651 -0.672 -0.865) 1.274 13.605 ( -0.449 -0.350 1.774) 1.863 13.634 ( 0.081 -0.824 -1.122) 1.394 13.684 ( -1.588 0.461 1.350) 2.135 13.716 ( 1.801 0.518 -1.799) 2.598 13.747 ( -0.288 -0.952 0.958) 1.381 13.758 ( 0.120 -0.429 -0.138) 0.466 13.867 ( 0.033 2.312 0.552) 2.377 13.888 ( 0.093 1.463 -1.552) 2.135 17.276 ( -1.424 0.042 2.411) 2.800 17.310 ( 0.626 -0.651 -1.066) 1.397 17.408 ( -1.860 -0.549 1.641) 2.541 17.435 ( 1.623 -0.750 -1.120) 2.110 17.682 ( 0.145 -1.121 0.899) 1.445 17.706 ( -0.226 -1.200 -1.558) 1.980 17.746 ( -0.274 -1.557 0.098) 1.584 17.758 ( 0.218 -1.407 -1.033) 1.760 17.858 ( -1.160 -0.190 0.914) 1.489 17.875 ( 2.367 -0.363 -0.737) 2.506 17.895 ( 0.206 0.664 0.421) 0.813 17.909 ( 0.419 0.869 -0.919) 1.332 18.034 ( 0.388 -2.102 1.011) 2.365 18.053 ( -0.342 -1.400 -0.785) 1.641 18.254 ( -0.265 0.679 1.188) 1.394 18.276 ( -0.887 0.429 -0.994) 1.399 18.433 ( -1.705 1.038 1.621) 2.571 18.446 ( 0.152 0.034 1.172) 1.182 18.463 ( 0.827 0.358 0.750) 1.172 18.501 ( -0.008 -0.283 -1.406) 1.434 18.557 ( -1.788 3.349 1.138) 3.963 18.580 ( 1.445 2.421 -1.047) 3.008 18.667 ( -2.202 0.726 0.545) 2.382 18.683 ( 1.711 0.584 -1.116) 2.125 28.553 ( 0.101 0.187 0.325) 0.388 28.559 ( 0.005 0.213 -0.288) 0.358 28.576 ( -0.449 -0.076 0.379) 0.592 28.584 ( 0.758 -0.090 -0.428) 0.875 28.891 ( -0.544 0.031 0.926) 1.074 28.909 ( 0.566 -0.173 -0.993) 1.156 28.942 ( 0.013 -0.119 0.157) 0.197 28.945 ( -0.178 -0.023 -0.185) 0.257 31.000 ( 1.393 2.213 2.113) 3.362 31.026 ( -0.974 2.448 -0.556) 2.693 31.399 ( 7.417 2.217 5.252) 9.354 31.454 ( -2.830 -0.942 -0.044) 2.983 31.511 ( -5.460 2.843 0.170) 6.158 31.565 ( 3.822 7.727 -5.798) 10.389 31.946 ( 0.229 -3.889 7.997) 8.895 32.099 ( -1.083 -4.551 -7.280) 8.653 32.553 ( -1.486 5.286 2.634) 6.090 32.613 ( 2.347 4.982 -3.748) 6.662 32.784 ( -7.393 -1.010 3.130) 8.092 32.853 ( 4.018 0.191 -3.412) 5.275 33.000 ( 0.001 1.176 -0.278) 1.209 33.045 ( 1.948 4.966 -4.687) 7.101 33.415 ( 4.274 -5.641 6.555) 9.647 33.532 ( -1.426 -3.056 -3.230) 4.670 33.638 ( 1.795 -3.029 -0.465) 3.551 33.673 ( -5.714 -1.797 -1.809) 6.257 34.427 ( 0.138 1.055 7.425) 7.501 34.512 ( -1.821 -1.013 -1.533) 2.587 34.592 ( -0.434 -1.078 6.398) 6.503 34.682 ( 4.560 -2.846 0.989) 5.466 34.892 ( -2.141 -1.987 -3.426) 4.502 34.936 ( -1.160 -2.655 -5.445) 6.167 ======================= Grid point 102 (56/66) ======================= q-point: ( 0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.694 0.425 3.408) 7.524 1.595 ( 5.153 2.061 -1.863) 5.854 1.703 ( 5.121 -4.931 10.415) 12.609 1.773 ( 7.299 0.848 -8.832) 11.489 1.870 ( -10.544 -1.151 0.905) 10.645 2.019 ( -1.342 -7.119 2.201) 7.571 2.134 ( 1.094 0.263 4.898) 5.025 2.232 ( -0.891 4.437 -1.919) 4.916 2.284 ( 1.511 3.892 1.559) 4.457 2.424 ( -2.800 0.895 -0.883) 3.070 2.466 ( -2.891 -5.994 2.491) 7.106 2.597 ( -3.372 0.764 0.700) 3.528 2.620 ( -0.331 -0.486 -1.372) 1.492 2.687 ( -3.818 -2.521 -4.381) 6.335 2.817 ( 0.541 -2.997 -3.584) 4.703 2.851 ( 3.102 1.044 2.251) 3.972 2.991 ( 3.708 0.988 2.792) 4.746 3.077 ( -0.952 -6.478 1.296) 6.675 3.112 ( -2.209 -0.365 3.828) 4.434 3.250 ( 5.018 -0.601 -3.360) 6.069 3.288 ( -1.803 0.439 -2.162) 2.849 3.316 ( 0.140 -0.947 3.589) 3.714 3.358 ( -1.235 -3.078 2.899) 4.405 3.406 ( -5.807 -3.931 -6.649) 9.664 3.474 ( -0.660 3.775 3.505) 5.194 3.520 ( 2.429 -6.633 2.864) 7.622 3.588 ( 0.694 -12.625 -0.132) 12.645 3.697 ( 5.641 1.127 -1.993) 6.088 3.740 ( -1.189 -6.723 -1.572) 7.006 3.796 ( 0.845 -0.690 -2.354) 2.594 3.866 ( 2.814 1.386 1.760) 3.597 3.941 ( -2.509 0.564 -2.359) 3.490 3.990 ( -0.128 4.217 1.597) 4.511 4.030 ( -0.312 -4.806 1.107) 4.941 4.131 ( 8.209 -1.836 2.344) 8.732 4.209 ( 6.192 1.676 -6.673) 9.256 4.217 ( -5.319 2.051 -1.749) 5.963 4.273 ( 3.049 0.323 -5.843) 6.598 4.378 ( -4.307 3.612 -0.859) 5.687 4.435 ( -2.726 4.291 -1.212) 5.226 4.482 ( -2.327 -1.411 2.515) 3.706 4.638 ( 0.799 -2.272 0.882) 2.565 4.719 ( 0.123 0.478 3.343) 3.379 4.771 ( 0.863 2.978 6.992) 7.649 4.810 ( -4.508 6.924 -0.413) 8.273 4.848 ( -1.077 1.619 -1.885) 2.708 4.944 ( -3.187 2.197 2.008) 4.360 5.028 ( 1.628 0.669 1.620) 2.392 5.155 ( -2.298 3.604 -0.718) 4.334 5.227 ( -1.212 1.051 0.013) 1.604 5.287 ( -0.523 -1.203 1.752) 2.189 5.340 ( 1.321 -0.019 4.558) 4.746 5.375 ( -0.083 2.478 -1.920) 3.136 5.408 ( -0.325 -2.664 0.315) 2.702 5.458 ( 1.963 2.228 -1.001) 3.134 5.513 ( 2.145 -1.030 -3.544) 4.269 5.567 ( 0.912 -1.569 -1.711) 2.494 5.606 ( 0.758 3.341 1.645) 3.800 5.738 ( 1.206 0.904 -0.566) 1.609 5.801 ( 1.022 6.181 0.808) 6.317 5.912 ( 2.059 -1.445 2.075) 3.260 5.959 ( 3.125 2.222 -3.148) 4.962 6.062 ( -0.425 3.169 1.200) 3.415 6.113 ( 0.777 2.770 -2.179) 3.609 6.165 ( -0.367 -0.005 4.064) 4.081 6.194 ( -0.964 2.541 -2.139) 3.459 6.236 ( -2.228 0.382 1.221) 2.569 6.304 ( 0.843 0.585 -1.986) 2.236 6.348 ( -3.285 -2.059 0.025) 3.877 6.382 ( -2.446 -2.813 3.306) 4.983 6.550 ( -0.516 -0.982 -3.526) 3.697 6.570 ( 1.057 1.633 2.188) 2.927 6.630 ( -0.218 -1.079 1.625) 1.963 6.674 ( 2.817 -3.293 -2.914) 5.222 6.824 ( -4.134 -3.708 0.597) 5.586 6.883 ( -2.190 -3.934 -0.137) 4.504 7.340 ( -2.823 3.334 -0.483) 4.395 7.371 ( -1.725 -1.348 -0.401) 2.226 7.514 ( -1.257 1.824 -0.449) 2.260 7.568 ( 6.152 0.612 0.735) 6.226 7.705 ( -0.696 -1.523 2.305) 2.849 7.735 ( 2.286 0.089 -3.036) 3.802 7.804 ( -2.321 2.614 0.337) 3.512 7.902 ( 1.984 5.387 -2.647) 6.322 8.696 ( -1.318 0.116 9.655) 9.745 8.865 ( 6.278 -3.615 -9.326) 11.809 9.825 ( -7.157 -1.989 2.461) 7.825 9.942 ( -2.404 -2.530 -3.856) 5.201 10.104 ( 2.181 0.630 0.224) 2.281 10.134 ( 3.877 2.122 -2.388) 5.024 12.770 ( -1.585 0.439 0.439) 1.702 12.831 ( 1.498 -0.266 -0.784) 1.712 12.909 ( -1.204 -1.913 -0.303) 2.280 12.948 ( 0.134 -1.995 0.586) 2.084 12.999 ( -1.109 0.067 0.024) 1.111 13.051 ( 1.199 0.718 -0.390) 1.451 13.057 ( -0.992 -0.633 -0.569) 1.307 13.123 ( 1.809 -1.013 -0.058) 2.074 13.604 ( -1.352 -0.248 1.743) 2.220 13.627 ( 0.101 -1.156 -0.953) 1.502 13.673 ( -0.871 0.296 1.524) 1.780 13.729 ( 0.267 -1.304 -1.010) 1.671 13.751 ( 0.994 0.388 0.143) 1.077 13.759 ( 0.340 -0.135 -0.606) 0.708 13.863 ( -1.051 1.867 0.711) 2.257 13.869 ( -1.042 1.886 -1.151) 2.443 17.270 ( -1.307 -0.044 2.531) 2.849 17.310 ( 0.063 -0.881 -0.633) 1.087 17.381 ( -2.273 0.223 1.550) 2.760 17.444 ( 0.349 -0.881 -1.273) 1.587 17.690 ( 0.025 -1.526 0.059) 1.528 17.700 ( 0.581 -0.962 -0.076) 1.127 17.737 ( -0.859 -1.666 0.194) 1.884 17.759 ( 0.489 -1.192 -0.440) 1.361 17.821 ( -2.407 0.353 -0.242) 2.445 17.855 ( -1.180 -0.289 -0.590) 1.351 17.898 ( 0.081 1.028 -0.817) 1.316 17.973 ( 3.926 -0.638 -0.782) 4.054 18.027 ( -0.414 -2.009 -0.483) 2.108 18.070 ( 1.390 -1.363 0.124) 1.951 18.239 ( -1.234 -0.278 1.179) 1.730 18.273 ( 0.286 1.133 0.854) 1.447 18.410 ( -1.370 2.467 1.383) 3.143 18.436 ( -2.307 -0.466 1.611) 2.852 18.464 ( -1.627 0.202 -2.092) 2.657 18.506 ( 2.042 -0.239 0.807) 2.208 18.566 ( 0.765 3.525 1.225) 3.809 18.617 ( 3.276 2.148 -0.995) 4.042 18.642 ( -1.188 1.399 0.903) 2.045 18.719 ( 2.657 -0.276 -0.118) 2.674 28.547 ( -0.766 0.049 0.084) 0.772 28.554 ( -0.445 0.084 -0.306) 0.547 28.577 ( 0.360 0.158 0.134) 0.415 28.596 ( 0.877 -0.091 -0.665) 1.105 28.888 ( -0.474 0.014 0.852) 0.975 28.911 ( 0.311 -0.429 -0.831) 0.986 28.944 ( 0.046 0.052 0.169) 0.182 28.945 ( 0.192 0.040 0.034) 0.199 31.020 ( 0.890 1.671 -1.694) 2.540 31.045 ( 1.353 2.307 1.298) 2.973 31.360 ( -2.881 1.888 -3.689) 5.047 31.438 ( -2.475 2.687 -0.441) 3.679 31.554 ( 6.297 1.509 1.702) 6.695 31.641 ( 6.239 6.031 -2.694) 9.087 32.038 ( 2.527 -6.355 8.344) 10.788 32.065 ( 3.402 -3.368 -7.037) 8.511 32.548 ( -0.654 5.040 1.443) 5.283 32.638 ( 3.444 5.708 -3.437) 7.500 32.704 ( -5.438 0.050 5.714) 7.888 32.914 ( 3.093 2.651 1.853) 4.476 33.002 ( 2.389 -1.031 -2.196) 3.405 33.052 ( 2.113 4.325 -3.847) 6.162 33.439 ( -3.151 -5.884 -7.040) 9.701 33.533 ( 2.206 -4.280 6.405) 8.013 33.563 ( -2.720 0.892 -1.511) 3.237 33.739 ( 5.049 -3.680 4.477) 7.686 34.446 ( -7.214 0.935 8.913) 11.505 34.479 ( 0.886 0.343 -3.881) 3.995 34.581 ( -1.767 -3.035 0.298) 3.525 34.669 ( -3.368 -3.310 -7.258) 8.659 34.810 ( -5.776 -2.256 3.090) 6.928 34.896 ( -2.084 -1.262 1.375) 2.797 ======================= Grid point 103 (57/66) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -0.697 -6.112 -11.968) 13.457 1.585 ( -9.760 2.669 2.178) 10.350 1.719 ( 2.168 4.106 -0.155) 4.646 1.835 ( -4.617 4.876 0.840) 6.767 1.869 ( 4.070 -11.416 9.353) 15.309 2.039 ( 0.142 -1.544 5.404) 5.622 2.168 ( 2.199 1.733 -5.327) 6.018 2.248 ( 2.939 -3.652 1.635) 4.965 2.340 ( 4.864 1.389 2.293) 5.554 2.360 ( -2.526 -2.847 -2.288) 4.441 2.421 ( -1.304 2.671 1.212) 3.209 2.551 ( 0.991 3.630 1.646) 4.108 2.610 ( -2.732 -3.610 -0.681) 4.578 2.706 ( 3.759 -4.483 -1.025) 5.940 2.754 ( -3.620 -2.686 -1.965) 4.917 2.850 ( 1.371 1.660 -4.989) 5.434 3.037 ( -8.893 -3.320 5.599) 11.020 3.079 ( -3.665 0.051 -8.453) 9.213 3.143 ( 1.966 4.132 5.814) 7.398 3.154 ( 4.363 -3.174 -0.110) 5.397 3.292 ( 3.123 -5.407 -1.507) 6.423 3.344 ( -0.542 -2.756 0.904) 2.951 3.385 ( 3.156 -1.515 4.687) 5.850 3.467 ( 9.764 -0.797 1.635) 9.932 3.522 ( -3.952 -8.246 0.851) 9.184 3.559 ( 4.621 -2.112 -1.654) 5.343 3.596 ( 2.991 -7.291 0.394) 7.891 3.716 ( -1.130 0.574 0.819) 1.509 3.756 ( -0.061 5.842 -4.084) 7.129 3.796 ( 2.373 -4.694 0.889) 5.334 3.878 ( 0.733 -5.806 -2.946) 6.552 3.956 ( 2.024 -6.232 -1.764) 6.786 3.997 ( -1.664 2.514 2.387) 3.846 4.046 ( -3.739 -1.154 -2.830) 4.829 4.079 ( -2.893 5.048 5.613) 8.084 4.151 ( -0.460 7.951 -1.643) 8.133 4.228 ( -1.124 -2.565 -5.024) 5.752 4.288 ( -0.856 1.211 -3.170) 3.500 4.306 ( 0.300 0.807 0.370) 0.938 4.445 ( -1.434 7.524 2.791) 8.152 4.506 ( 2.789 -3.207 4.333) 6.069 4.615 ( -4.871 -1.699 1.538) 5.383 4.674 ( -6.819 -0.573 2.581) 7.313 4.722 ( -1.370 1.972 -4.825) 5.389 4.785 ( -0.583 1.722 0.433) 1.869 4.912 ( -0.271 2.633 -1.136) 2.881 4.926 ( 4.498 4.777 1.982) 6.854 5.039 ( -2.072 5.993 1.196) 6.453 5.136 ( 3.113 6.085 -2.035) 7.131 5.219 ( 0.762 -4.936 3.742) 6.241 5.323 ( 1.978 2.620 -0.990) 3.429 5.359 ( -0.790 -0.656 0.672) 1.227 5.382 ( -0.622 2.703 -1.338) 3.079 5.419 ( 4.127 -2.270 2.484) 5.324 5.496 ( -0.925 -2.670 -0.016) 2.826 5.515 ( 0.847 -0.742 1.810) 2.131 5.548 ( -1.521 0.420 0.703) 1.727 5.633 ( 1.126 2.215 2.598) 3.595 5.770 ( 0.263 2.516 0.341) 2.552 5.839 ( 2.802 6.425 -1.602) 7.190 5.926 ( 0.149 1.508 0.152) 1.523 5.994 ( 3.196 -0.185 -1.356) 3.476 6.069 ( -0.021 -0.702 -0.184) 0.726 6.132 ( 1.921 3.021 0.695) 3.648 6.163 ( -1.895 -0.836 0.921) 2.267 6.172 ( 1.039 0.275 -2.040) 2.305 6.219 ( 1.435 1.314 -2.208) 2.944 6.267 ( -6.786 -2.888 -0.071) 7.375 6.328 ( 1.114 3.993 0.812) 4.225 6.376 ( -0.474 0.502 3.997) 4.057 6.528 ( -0.172 -1.445 -0.298) 1.485 6.598 ( 0.041 1.632 3.333) 3.712 6.627 ( -1.547 0.433 0.530) 1.692 6.683 ( 0.551 -3.840 -5.365) 6.621 6.770 ( -0.695 -4.381 -0.014) 4.436 6.806 ( -5.692 -4.805 -1.016) 7.518 7.309 ( -0.124 3.302 -0.816) 3.404 7.359 ( -0.767 2.857 0.151) 2.962 7.481 ( -0.553 0.296 0.608) 0.873 7.645 ( 0.104 0.140 -1.571) 1.581 7.709 ( 0.878 -3.096 3.465) 4.729 7.765 ( 2.450 -1.134 -2.730) 3.839 7.776 ( 0.198 2.174 -0.170) 2.190 7.895 ( -0.633 2.965 -2.458) 3.903 8.749 ( -2.752 -0.497 11.823) 12.149 8.914 ( 7.815 -3.868 -9.766) 13.092 9.706 ( -6.350 -0.191 -0.017) 6.353 9.836 ( -4.509 -2.559 -6.741) 8.504 10.160 ( 2.292 1.879 3.840) 4.851 10.213 ( 6.113 2.349 -1.999) 6.847 12.758 ( -0.317 0.424 1.112) 1.231 12.840 ( 0.325 -0.445 -1.635) 1.726 12.897 ( -0.021 -2.032 -0.148) 2.037 12.934 ( -1.973 -1.967 0.307) 2.803 12.986 ( 0.178 0.916 -0.484) 1.052 13.033 ( -0.801 0.772 -0.908) 1.436 13.085 ( 1.742 -0.371 0.834) 1.966 13.142 ( 0.643 -0.919 -0.507) 1.231 13.589 ( -1.458 -0.421 1.441) 2.093 13.622 ( -0.238 -2.113 -0.729) 2.248 13.675 ( -0.156 0.130 1.329) 1.345 13.716 ( -1.043 -1.280 0.027) 1.651 13.761 ( 0.829 0.564 -0.605) 1.171 13.782 ( 2.337 0.451 -1.037) 2.597 13.838 ( -1.325 1.896 -0.933) 2.494 13.846 ( -1.754 1.431 0.992) 2.471 17.270 ( -0.910 -0.253 2.467) 2.642 17.304 ( -0.454 -1.184 0.119) 1.274 17.361 ( -1.264 0.859 1.502) 2.143 17.429 ( -0.428 -0.513 -1.986) 2.095 17.693 ( 0.653 -1.315 -0.345) 1.508 17.712 ( 0.018 -0.821 0.293) 0.872 17.725 ( -0.489 -1.990 0.833) 2.212 17.763 ( 0.259 -0.991 -0.483) 1.133 17.795 ( -0.264 -0.760 -0.222) 0.834 17.834 ( -0.642 -0.760 -0.821) 1.290 17.892 ( -0.136 1.035 0.049) 1.045 17.976 ( -1.548 -3.013 -2.154) 4.014 18.046 ( 2.044 -0.283 0.141) 2.068 18.084 ( 0.365 -0.686 -0.160) 0.793 18.253 ( 1.189 0.181 1.569) 1.977 18.289 ( 0.637 2.086 0.964) 2.385 18.394 ( -1.611 1.153 0.072) 1.982 18.401 ( -2.173 -1.445 1.476) 2.998 18.448 ( 1.151 2.250 -1.246) 2.818 18.519 ( -0.896 0.938 -0.579) 1.421 18.586 ( 0.320 3.062 1.833) 3.583 18.641 ( 1.050 0.675 -0.256) 1.274 18.666 ( 1.791 1.777 1.366) 2.869 18.758 ( 1.353 -0.612 0.127) 1.490 28.534 ( -0.714 0.007 0.182) 0.737 28.544 ( -0.262 -0.137 -0.598) 0.667 28.584 ( 0.276 0.232 0.220) 0.423 28.602 ( 0.431 -0.038 -0.856) 0.959 28.888 ( -0.253 -0.178 0.758) 0.818 28.907 ( -0.059 -0.634 -0.623) 0.891 28.946 ( -0.077 0.267 0.475) 0.550 28.951 ( 0.551 0.287 -0.273) 0.679 31.018 ( 0.593 1.252 -2.416) 2.785 31.040 ( -2.295 1.546 0.393) 2.795 31.342 ( 1.873 2.236 -1.034) 3.094 31.416 ( 1.020 1.458 -2.685) 3.221 31.646 ( 3.895 3.182 0.562) 5.061 31.702 ( 2.955 5.978 -2.181) 7.016 32.091 ( 3.516 -3.647 -2.897) 5.835 32.111 ( -0.014 -5.407 2.525) 5.967 32.556 ( 0.061 4.239 1.652) 4.550 32.650 ( 0.579 4.641 -2.738) 5.420 32.728 ( 3.139 1.345 6.920) 7.716 32.959 ( -0.697 3.491 5.153) 6.263 33.046 ( 1.350 4.310 -4.285) 6.226 33.067 ( 5.242 -3.016 -3.368) 6.922 33.355 ( 0.273 -4.864 -5.273) 7.179 33.478 ( -5.021 -0.875 -0.242) 5.103 33.656 ( 4.907 -1.329 5.823) 7.730 33.846 ( 2.869 -4.069 3.905) 6.328 34.310 ( -11.873 -1.693 5.626) 13.247 34.485 ( -0.612 -1.665 -8.511) 8.694 34.521 ( -0.322 -0.658 -5.428) 5.477 34.574 ( -2.472 -1.119 1.759) 3.234 34.763 ( -1.916 -2.611 3.588) 4.834 34.856 ( -4.785 -1.315 3.037) 5.818 ======================= Grid point 104 (58/66) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -15.917 -1.166 6.472) 17.222 1.480 ( 4.795 -3.733 -3.882) 7.211 1.727 ( -7.702 5.905 4.285) 10.609 1.770 ( 1.985 6.084 0.118) 6.401 1.965 ( 0.025 -10.319 5.729) 11.803 2.056 ( 0.100 -2.186 -0.249) 2.202 2.188 ( 0.411 1.693 4.320) 4.658 2.286 ( -2.240 -2.407 -5.058) 6.033 2.328 ( -0.917 -2.492 2.244) 3.477 2.397 ( 2.828 1.223 -4.521) 5.471 2.450 ( 1.411 -0.656 5.836) 6.040 2.529 ( -3.022 -7.576 -2.384) 8.498 2.648 ( 4.832 3.767 -1.388) 6.282 2.697 ( 4.130 1.260 8.610) 9.632 2.733 ( -4.220 3.893 -5.432) 7.904 2.847 ( -9.825 -0.437 -4.642) 10.875 2.914 ( 7.935 -8.058 0.097) 11.309 2.978 ( -0.567 -3.644 -3.958) 5.410 3.217 ( 1.186 -2.271 -0.541) 2.618 3.232 ( -1.391 -3.588 -2.754) 4.732 3.279 ( -1.023 -0.892 4.221) 4.434 3.349 ( 0.441 -2.824 -1.238) 3.115 3.449 ( -3.386 3.156 9.349) 10.432 3.528 ( 4.481 -6.782 2.242) 8.432 3.585 ( -0.568 -8.078 -2.594) 8.504 3.618 ( 1.408 2.046 -3.858) 4.589 3.670 ( 7.376 1.241 0.391) 7.490 3.695 ( -2.348 3.783 -0.954) 4.553 3.750 ( 2.322 -3.285 1.555) 4.313 3.795 ( -4.218 -5.379 -1.916) 7.099 3.828 ( -2.027 -2.410 2.583) 4.073 3.879 ( -0.152 -7.086 -2.425) 7.491 3.967 ( -7.675 -1.547 3.882) 8.739 4.049 ( 4.554 0.294 -2.616) 5.260 4.064 ( -0.182 1.232 3.292) 3.519 4.177 ( 1.030 -0.993 -5.209) 5.402 4.207 ( -0.248 4.141 1.321) 4.353 4.254 ( 1.325 1.927 -0.398) 2.372 4.377 ( 2.387 4.111 1.277) 4.922 4.390 ( -3.508 7.348 -2.391) 8.486 4.518 ( -1.421 2.544 5.084) 5.860 4.574 ( -0.023 -3.271 -0.971) 3.412 4.606 ( -1.519 -2.686 2.221) 3.802 4.711 ( 6.346 1.528 -8.344) 10.594 4.786 ( 0.939 2.450 1.562) 3.053 4.857 ( -2.617 3.861 -4.965) 6.812 5.002 ( -1.811 2.720 1.694) 3.681 5.018 ( 3.334 4.605 0.658) 5.723 5.225 ( 0.630 0.786 3.174) 3.330 5.268 ( 2.596 8.708 2.370) 9.391 5.309 ( 0.443 -5.447 -0.462) 5.485 5.354 ( -5.604 0.797 0.857) 5.725 5.385 ( 1.211 1.924 -0.306) 2.294 5.410 ( -1.246 1.831 -1.715) 2.801 5.495 ( -1.546 -2.476 2.225) 3.670 5.518 ( 1.583 1.270 -0.323) 2.055 5.612 ( 2.869 0.158 4.980) 5.749 5.649 ( -1.347 -0.565 1.260) 1.929 5.764 ( -0.779 1.906 0.317) 2.083 5.818 ( 0.403 4.613 -4.545) 6.489 5.984 ( 1.908 2.701 5.744) 6.628 6.015 ( -0.850 1.479 -0.017) 1.705 6.063 ( -1.653 0.684 -0.655) 1.905 6.126 ( -0.810 -2.619 -2.643) 3.808 6.144 ( -2.106 -2.429 -1.366) 3.493 6.169 ( 1.277 0.350 -1.936) 2.346 6.198 ( 0.910 -0.575 0.315) 1.121 6.241 ( 2.649 1.853 -2.587) 4.141 6.357 ( 1.287 3.749 1.867) 4.381 6.394 ( 0.381 0.805 -1.359) 1.625 6.542 ( 0.309 -0.186 4.300) 4.315 6.586 ( -2.676 -1.869 3.452) 4.751 6.625 ( 0.206 1.542 -2.713) 3.127 6.635 ( -0.709 -2.242 -2.870) 3.710 6.726 ( -2.194 -4.717 2.380) 5.720 6.792 ( 3.660 -4.705 -3.831) 7.086 7.319 ( -1.676 5.113 0.310) 5.390 7.332 ( 1.945 3.856 -0.987) 4.430 7.532 ( 4.135 -1.280 1.911) 4.732 7.572 ( -4.666 -1.422 -2.334) 5.408 7.731 ( -2.262 -0.346 3.180) 3.918 7.797 ( 2.081 -0.032 -2.073) 2.938 7.803 ( 2.923 -0.247 0.634) 3.001 7.844 ( -3.281 0.541 -2.025) 3.894 8.757 ( -6.198 -0.437 11.140) 12.756 8.987 ( 9.594 -5.461 -11.569) 15.991 9.654 ( -0.089 0.217 1.944) 1.958 9.719 ( -3.160 -1.571 -5.210) 6.293 10.208 ( -0.529 2.424 3.308) 4.135 10.281 ( 3.828 3.443 -4.344) 6.736 12.776 ( 0.937 0.093 1.772) 2.007 12.817 ( -0.797 -0.461 -2.559) 2.719 12.901 ( -0.787 -1.739 0.645) 2.015 12.911 ( 0.686 -1.749 -0.469) 1.936 12.995 ( 0.729 1.020 0.446) 1.331 13.010 ( -0.994 0.989 -1.085) 1.773 13.116 ( 0.895 -0.544 1.146) 1.552 13.136 ( -0.744 -0.803 -0.895) 1.414 13.582 ( -0.983 -1.137 1.829) 2.367 13.614 ( 0.640 -2.248 -1.226) 2.639 13.685 ( -0.078 0.159 1.172) 1.185 13.702 ( -0.089 -0.488 -0.238) 0.550 13.774 ( 0.396 0.880 0.240) 0.994 13.788 ( -0.799 0.970 -1.302) 1.809 13.822 ( -1.313 1.378 0.755) 2.048 13.838 ( 2.080 0.789 -0.829) 2.374 17.274 ( -0.668 -0.368 2.288) 2.412 17.300 ( -0.132 -1.215 0.227) 1.243 17.360 ( -0.342 0.929 2.002) 2.234 17.409 ( 0.180 -0.220 -2.410) 2.426 17.697 ( -0.942 -1.097 0.400) 1.500 17.710 ( 1.248 -0.846 -0.810) 1.712 17.738 ( 0.562 -1.881 1.163) 2.282 17.758 ( -0.270 -0.821 -0.855) 1.216 17.803 ( 0.746 -1.812 0.331) 1.987 17.819 ( -0.420 -1.695 -1.102) 2.065 17.902 ( 1.026 -0.042 0.940) 1.392 17.926 ( -2.054 -1.620 -1.761) 3.154 18.070 ( 0.126 -0.350 0.540) 0.656 18.083 ( 0.057 -0.464 -0.743) 0.878 18.284 ( 1.008 1.920 1.164) 2.461 18.296 ( -0.651 2.478 0.228) 2.572 18.377 ( -1.318 -0.146 1.059) 1.697 18.390 ( 1.005 -1.761 -0.172) 2.035 18.468 ( 0.632 2.291 0.072) 2.378 18.486 ( -0.605 2.313 -1.717) 2.943 18.601 ( -0.686 2.431 2.761) 3.742 18.648 ( 0.282 0.329 -1.895) 1.944 18.710 ( 1.307 0.773 3.343) 3.672 18.757 ( -0.916 -0.148 -1.204) 1.521 28.528 ( -0.200 -0.024 0.363) 0.415 28.538 ( 0.138 -0.213 -0.624) 0.673 28.588 ( -0.066 0.201 0.368) 0.424 28.600 ( 0.095 -0.028 -0.812) 0.818 28.890 ( -0.229 -0.375 0.740) 0.861 28.903 ( 0.177 -0.594 -0.599) 0.862 28.947 ( -0.254 0.428 0.500) 0.705 28.957 ( 0.366 0.386 -0.453) 0.698 30.992 ( -3.006 1.318 1.297) 3.530 31.020 ( 1.256 1.085 -1.684) 2.364 31.363 ( -0.133 1.591 1.250) 2.028 31.409 ( 0.146 1.134 -3.448) 3.633 31.689 ( -0.119 3.273 0.508) 3.314 31.718 ( 1.524 7.075 -2.679) 7.718 32.044 ( -8.297 -3.669 6.074) 10.918 32.169 ( 7.340 -3.222 -6.326) 10.211 32.567 ( -1.099 3.691 3.196) 5.005 32.641 ( 1.478 4.610 -4.214) 6.418 32.864 ( 5.532 0.957 6.492) 8.583 32.948 ( -3.874 3.677 0.371) 5.354 33.034 ( 1.071 -0.931 -1.734) 2.241 33.095 ( 1.214 -2.953 -4.617) 5.613 33.368 ( -7.604 -1.434 0.356) 7.746 33.394 ( 5.686 -0.671 -1.825) 6.009 33.785 ( 3.584 -1.010 6.855) 7.801 33.862 ( -2.159 -3.760 -0.750) 4.400 34.225 ( -1.613 -2.703 6.236) 6.985 34.342 ( -3.344 -3.452 -6.047) 7.724 34.499 ( -7.955 1.050 4.297) 9.102 34.601 ( 8.143 0.414 -5.731) 9.966 34.792 ( -2.665 -2.033 2.187) 4.002 34.815 ( 4.579 -2.804 0.034) 5.369 ======================= Grid point 105 (59/66) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -8.111 -3.957 15.688) 18.099 1.617 ( 7.295 -0.392 0.531) 7.325 1.638 ( -7.254 9.077 8.707) 14.520 1.776 ( -3.899 4.390 5.543) 8.075 1.986 ( -1.133 -9.176 2.605) 9.606 2.028 ( -2.589 -1.434 0.427) 2.990 2.154 ( -7.476 -5.466 4.091) 10.124 2.232 ( -0.335 5.352 -0.776) 5.418 2.292 ( 0.177 -1.359 -3.182) 3.464 2.411 ( 1.253 0.967 2.017) 2.564 2.457 ( -0.300 -3.689 -2.907) 4.706 2.568 ( -2.597 -2.867 1.052) 4.009 2.617 ( -1.599 -1.185 1.128) 2.288 2.677 ( -1.675 7.739 -4.320) 9.020 2.732 ( 2.376 1.631 2.565) 3.857 2.886 ( 8.788 -5.208 8.846) 13.513 2.909 ( -0.038 -6.425 -10.125) 11.992 3.092 ( 8.839 -8.018 0.563) 11.947 3.141 ( -3.471 -2.509 -0.664) 4.334 3.194 ( -2.881 -0.023 -0.663) 2.957 3.267 ( -3.787 -6.605 1.707) 7.803 3.356 ( 1.300 1.319 -0.598) 1.946 3.433 ( -5.500 2.413 4.697) 7.625 3.502 ( -6.078 0.440 -3.152) 6.861 3.545 ( 0.759 -8.396 -3.718) 9.214 3.591 ( -4.676 0.474 -4.980) 6.848 3.619 ( -0.531 -5.601 -1.673) 5.869 3.712 ( -0.335 4.506 2.175) 5.015 3.734 ( -1.827 0.292 -0.474) 1.910 3.789 ( -0.904 -4.921 -0.370) 5.017 3.863 ( 3.017 -7.246 1.415) 7.975 3.906 ( -2.039 -5.505 0.882) 5.936 3.955 ( 3.962 -2.614 5.627) 7.362 4.064 ( -2.694 1.911 -1.369) 3.575 4.107 ( -2.747 1.912 3.656) 4.956 4.119 ( -1.955 1.119 -1.052) 2.486 4.199 ( 8.773 4.265 -1.348) 9.848 4.286 ( 0.094 4.580 -5.243) 6.963 4.305 ( -0.581 1.943 1.357) 2.440 4.447 ( 1.250 5.990 2.977) 6.805 4.556 ( 0.823 -2.791 -0.929) 3.055 4.630 ( 5.831 -1.942 3.116) 6.891 4.675 ( 7.871 0.765 -2.193) 8.207 4.757 ( -2.846 2.693 -2.737) 4.780 4.789 ( 5.982 0.389 -3.242) 6.815 4.862 ( 4.741 1.385 1.419) 5.139 4.955 ( -3.720 1.843 -0.258) 4.159 5.081 ( 1.698 7.026 -1.548) 7.392 5.146 ( -9.037 0.784 -2.761) 9.481 5.236 ( -0.449 2.488 3.430) 4.261 5.274 ( -2.810 1.040 1.848) 3.521 5.350 ( 0.295 0.246 1.677) 1.720 5.372 ( -2.978 5.980 -1.412) 6.828 5.435 ( -1.524 0.075 0.266) 1.549 5.474 ( -0.665 -0.303 1.864) 2.003 5.548 ( 4.325 0.865 -1.121) 4.551 5.613 ( -2.226 -1.169 -0.975) 2.697 5.641 ( -2.976 0.622 1.051) 3.217 5.780 ( 1.241 2.604 2.426) 3.769 5.822 ( 2.317 2.100 -3.047) 4.366 5.945 ( -6.047 2.232 -2.249) 6.827 6.004 ( -2.643 -0.255 -1.588) 3.094 6.018 ( -2.278 -0.173 4.306) 4.874 6.108 ( 1.798 0.786 -0.666) 2.072 6.125 ( -1.026 0.831 0.847) 1.569 6.191 ( -0.083 0.864 0.038) 0.868 6.229 ( 0.979 0.023 -2.560) 2.740 6.284 ( 7.420 -3.743 -1.837) 8.511 6.351 ( -1.247 2.597 -0.708) 2.966 6.427 ( 4.395 0.746 -1.332) 4.653 6.556 ( -2.050 -3.045 0.105) 3.672 6.589 ( -0.221 2.128 -0.101) 2.141 6.615 ( 0.732 -3.219 2.937) 4.419 6.628 ( 0.235 0.179 1.891) 1.914 6.758 ( 3.515 -2.527 0.049) 4.329 6.832 ( 4.047 -5.615 -2.717) 7.436 7.295 ( 0.018 4.677 0.283) 4.686 7.376 ( 1.872 3.532 -1.502) 4.270 7.497 ( -0.840 -1.193 -1.069) 1.809 7.612 ( 2.284 -0.021 1.852) 2.941 7.703 ( -3.343 0.452 2.699) 4.321 7.759 ( -3.991 -1.493 -1.352) 4.470 7.806 ( 1.272 -0.545 -2.323) 2.704 7.850 ( 0.683 2.208 2.000) 3.057 8.723 ( -6.068 0.338 9.158) 10.991 9.024 ( 4.906 -7.166 -15.701) 17.943 9.694 ( 3.300 -0.709 1.057) 3.537 9.723 ( 4.703 -0.478 4.475) 6.509 10.182 ( -4.204 2.721 1.251) 5.161 10.268 ( -0.096 4.270 -7.153) 8.331 12.788 ( -0.162 -0.154 -1.916) 1.929 12.808 ( 0.861 -0.144 1.446) 1.689 12.891 ( -0.299 -1.589 0.403) 1.666 12.938 ( 1.903 -2.263 -0.054) 2.958 12.987 ( -0.640 0.964 -0.648) 1.326 13.013 ( 0.743 0.963 1.031) 1.594 13.104 ( -1.981 -0.835 -1.099) 2.414 13.129 ( -0.234 -0.670 0.811) 1.078 13.583 ( -0.281 -1.112 1.773) 2.112 13.628 ( 1.541 -1.285 -1.223) 2.350 13.687 ( 0.010 -0.494 0.771) 0.916 13.713 ( 0.794 -0.270 -0.086) 0.844 13.754 ( -1.570 0.562 -0.124) 1.672 13.771 ( -1.283 0.531 0.199) 1.402 13.826 ( 1.267 2.367 0.320) 2.704 13.869 ( 2.209 0.580 -1.359) 2.658 17.279 ( -0.733 -0.323 2.199) 2.340 17.302 ( 0.431 -1.078 -0.502) 1.265 17.380 ( 0.539 0.383 2.565) 2.649 17.404 ( 1.137 -0.167 -2.082) 2.378 17.684 ( -0.736 -0.657 0.304) 1.032 17.725 ( 0.876 -0.663 -0.849) 1.389 17.748 ( 0.202 -1.276 -1.073) 1.679 17.756 ( 0.722 -1.824 0.327) 1.989 17.801 ( -0.235 -1.957 -1.083) 2.249 17.820 ( 0.715 -1.241 0.573) 1.543 17.893 ( -0.879 0.176 -0.193) 0.917 17.937 ( 1.431 -2.061 1.812) 3.095 18.052 ( -1.835 0.325 -0.401) 1.906 18.083 ( -0.103 -0.533 -0.065) 0.547 18.275 ( -1.419 1.154 -0.483) 1.892 18.299 ( 0.088 2.302 -0.004) 2.304 18.375 ( 0.546 -0.220 1.548) 1.656 18.420 ( 2.058 -0.617 -0.191) 2.157 18.441 ( -1.260 1.964 -0.541) 2.395 18.511 ( 2.092 1.945 -0.123) 2.859 18.595 ( -2.351 1.929 2.218) 3.764 18.627 ( -0.952 0.864 -1.336) 1.854 18.718 ( -1.637 0.612 -2.425) 2.989 18.742 ( -0.508 -0.351 2.021) 2.113 28.532 ( 0.310 -0.025 0.445) 0.543 28.541 ( 0.657 -0.160 -0.387) 0.779 28.588 ( -0.363 0.108 0.378) 0.535 28.593 ( -0.236 -0.004 -0.524) 0.575 28.890 ( -0.247 -0.421 0.637) 0.803 28.905 ( 0.476 -0.356 -0.543) 0.806 28.945 ( -0.341 0.349 0.324) 0.586 28.956 ( 0.022 0.335 -0.497) 0.599 30.968 ( -1.367 1.808 2.658) 3.493 31.037 ( 0.932 0.990 0.411) 1.420 31.336 ( -4.143 1.318 -0.184) 4.352 31.385 ( 0.135 1.013 0.182) 1.038 31.655 ( -3.283 3.812 0.004) 5.030 31.705 ( -1.140 6.908 -2.878) 7.570 31.956 ( -6.980 -1.715 6.961) 10.006 32.227 ( 3.570 -4.434 -5.440) 7.874 32.564 ( -1.517 3.788 2.489) 4.780 32.633 ( 0.518 5.501 -3.263) 6.417 32.870 ( -1.387 -0.657 -6.011) 6.204 32.972 ( 1.643 1.958 3.579) 4.398 33.021 ( -3.839 -2.291 0.342) 4.484 33.071 ( 1.473 1.462 -5.421) 5.805 33.255 ( -4.616 -4.958 3.647) 7.694 33.475 ( 3.599 3.194 0.368) 4.826 33.756 ( -4.137 -6.382 -3.874) 8.535 33.877 ( -0.985 -1.925 2.101) 3.015 34.312 ( 2.842 -0.625 7.694) 8.226 34.340 ( 4.757 -3.399 2.687) 6.434 34.426 ( -1.250 1.456 2.917) 3.491 34.627 ( -1.334 -0.897 -2.409) 2.897 34.826 ( 6.793 -1.674 -3.306) 7.738 34.914 ( 6.763 -2.991 -2.562) 7.826 ======================= Grid point 106 (60/66) ======================= q-point: (-0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -0.533 -4.345 21.242) 21.689 1.457 ( -13.356 4.797 7.863) 16.225 1.682 ( -13.156 3.480 5.641) 14.731 1.781 ( 4.742 4.815 3.479) 7.601 1.947 ( 0.454 -3.495 -4.931) 6.061 2.051 ( 1.277 -7.605 2.047) 7.978 2.113 ( 0.506 -3.750 2.456) 4.511 2.201 ( -2.281 2.142 -1.249) 3.369 2.325 ( 1.822 3.104 1.556) 3.921 2.411 ( -1.851 1.058 -0.546) 2.201 2.471 ( 0.970 -0.910 4.348) 4.547 2.524 ( 4.421 3.168 1.380) 5.611 2.643 ( 3.316 0.290 1.595) 3.692 2.708 ( -0.434 -5.490 3.979) 6.794 2.746 ( -2.772 -2.620 -4.236) 5.701 2.873 ( 4.270 -5.842 -0.137) 7.237 2.996 ( -4.238 3.919 -1.761) 6.034 3.076 ( -0.010 -7.998 -2.602) 8.410 3.150 ( -5.547 -4.245 4.264) 8.184 3.227 ( 2.632 -1.889 0.512) 3.280 3.251 ( 7.026 -0.468 -1.845) 7.280 3.334 ( -3.244 3.645 -1.716) 5.172 3.417 ( 1.470 -6.051 -1.571) 6.422 3.427 ( 1.059 -2.319 -2.856) 3.829 3.488 ( 0.437 2.227 0.420) 2.308 3.532 ( -2.801 -6.910 -1.849) 7.682 3.598 ( 0.329 -3.516 -0.266) 3.542 3.644 ( -7.887 -2.328 2.325) 8.546 3.704 ( -2.521 -0.813 3.782) 4.617 3.784 ( 1.625 0.331 -2.801) 3.255 3.844 ( -1.066 -3.051 -1.439) 3.538 3.956 ( 3.980 -6.000 0.755) 7.240 4.011 ( -1.638 0.504 3.030) 3.481 4.051 ( -1.559 2.092 0.368) 2.635 4.070 ( 3.086 -0.385 -0.101) 3.112 4.148 ( -5.471 -2.931 3.519) 7.135 4.234 ( 1.137 -0.167 -1.243) 1.693 4.280 ( 4.224 3.282 -5.094) 7.387 4.388 ( 7.031 6.313 -0.513) 9.464 4.454 ( -0.569 5.818 -1.395) 6.009 4.541 ( -0.985 0.458 -3.465) 3.631 4.656 ( -1.381 -4.138 -3.448) 5.560 4.754 ( 3.228 0.503 5.470) 6.372 4.777 ( -2.901 1.626 -3.375) 4.738 4.812 ( -2.170 1.179 1.508) 2.894 4.892 ( 1.958 2.423 -3.920) 5.008 4.926 ( 2.007 -0.983 1.671) 2.790 5.063 ( 0.528 3.549 5.230) 6.342 5.116 ( 2.245 9.293 -3.355) 10.132 5.208 ( -4.923 0.039 3.389) 5.976 5.268 ( 0.572 4.084 -0.519) 4.156 5.318 ( -1.860 3.803 3.504) 5.495 5.376 ( 0.683 -1.257 1.827) 2.321 5.422 ( 1.684 -3.533 -2.405) 4.594 5.463 ( -2.534 -0.196 0.661) 2.626 5.554 ( -2.627 -2.766 -5.396) 6.608 5.567 ( -0.380 2.801 -1.004) 3.000 5.620 ( 1.570 2.063 1.198) 2.856 5.779 ( -4.443 3.267 -5.334) 7.673 5.814 ( 0.040 3.540 -1.821) 3.981 5.858 ( -1.353 -0.648 5.428) 5.631 5.950 ( -1.992 -0.203 -2.126) 2.920 6.044 ( 0.413 1.264 5.937) 6.084 6.102 ( -1.733 3.184 0.600) 3.675 6.141 ( 1.634 0.884 0.311) 1.883 6.180 ( -0.510 2.552 -2.462) 3.583 6.234 ( 2.034 -1.840 -0.240) 2.754 6.336 ( 0.117 1.259 -0.644) 1.419 6.383 ( 3.879 -1.770 -1.626) 4.563 6.483 ( 2.685 -0.178 -5.509) 6.131 6.522 ( -0.452 -4.804 -1.144) 4.959 6.576 ( -0.357 0.929 0.360) 1.059 6.618 ( -1.188 -3.293 1.894) 3.980 6.654 ( -0.086 0.967 0.895) 1.320 6.831 ( 4.253 -2.312 0.108) 4.842 6.875 ( 1.292 -6.378 0.401) 6.519 7.328 ( 3.473 3.571 0.321) 4.992 7.381 ( 1.725 0.713 -1.361) 2.310 7.505 ( -0.392 0.868 0.216) 0.977 7.588 ( -4.749 0.926 -1.284) 5.006 7.676 ( -0.972 1.762 2.529) 3.231 7.735 ( 0.729 -2.225 -0.004) 2.341 7.818 ( 1.993 1.099 -1.005) 2.488 7.860 ( -0.921 4.635 1.556) 4.975 8.690 ( -5.180 0.275 7.912) 9.461 8.931 ( -0.541 -4.909 -14.319) 15.147 9.802 ( 4.074 -2.389 5.630) 7.349 9.867 ( 8.306 -3.073 1.853) 9.048 10.106 ( -4.619 3.221 0.528) 5.656 10.197 ( -0.671 3.979 -8.074) 9.026 12.786 ( 1.273 0.032 -1.252) 1.786 12.818 ( -0.698 -0.114 0.621) 0.941 12.900 ( 0.880 -1.794 0.651) 2.102 12.953 ( -0.254 -1.213 -0.014) 1.240 12.996 ( 1.572 -0.538 0.195) 1.673 13.037 ( 1.158 0.623 1.166) 1.757 13.060 ( -1.874 -0.945 -0.877) 2.275 13.121 ( -1.098 -0.742 0.130) 1.331 13.596 ( -0.003 -0.442 1.857) 1.909 13.637 ( 0.757 -0.636 -1.377) 1.695 13.696 ( -0.385 -0.633 1.246) 1.449 13.709 ( 0.021 0.235 -1.369) 1.389 13.743 ( -0.360 -0.204 0.881) 0.973 13.757 ( -0.103 0.037 -0.029) 0.113 13.853 ( 1.219 2.513 0.403) 2.822 13.888 ( 1.263 0.961 -1.651) 2.290 17.280 ( -1.103 -0.121 2.236) 2.496 17.306 ( 0.718 -0.802 -1.025) 1.486 17.406 ( 0.619 -0.487 1.318) 1.535 17.416 ( 1.271 -0.399 -0.675) 1.493 17.678 ( -0.304 -0.694 0.489) 0.902 17.722 ( -0.123 -1.047 -1.458) 1.799 17.747 ( 0.274 -1.498 -0.585) 1.631 17.762 ( 0.364 -1.818 -1.042) 2.127 17.814 ( 2.525 0.140 0.226) 2.539 17.844 ( 1.462 -0.817 0.701) 1.815 17.887 ( -0.171 0.530 0.383) 0.676 17.952 ( -2.072 -1.795 1.437) 3.095 18.023 ( -0.285 -0.472 -0.300) 0.628 18.073 ( -1.023 -0.662 -0.077) 1.221 18.252 ( -0.600 0.607 -0.117) 0.861 18.293 ( -0.108 1.047 -1.138) 1.550 18.413 ( 1.419 0.842 2.933) 3.365 18.423 ( 0.359 1.780 -0.399) 1.859 18.458 ( 1.663 -0.967 -0.273) 1.943 18.521 ( -1.268 0.188 -0.696) 1.459 18.572 ( -0.822 2.724 1.009) 3.019 18.598 ( -2.085 1.951 -0.005) 2.856 18.680 ( -0.357 1.017 -2.282) 2.524 18.716 ( -3.118 -0.314 0.363) 3.155 28.543 ( 0.549 0.056 0.371) 0.664 28.553 ( 0.879 -0.008 -0.156) 0.892 28.581 ( -0.470 -0.024 -0.090) 0.479 28.586 ( -0.461 0.064 0.180) 0.499 28.891 ( -0.275 -0.226 0.739) 0.820 28.908 ( 0.415 -0.117 -0.750) 0.865 28.942 ( -0.150 0.037 0.135) 0.205 28.951 ( -0.194 0.146 -0.379) 0.450 30.977 ( -0.356 1.829 2.698) 3.279 31.048 ( -0.762 2.190 0.952) 2.507 31.288 ( -0.159 2.012 3.364) 3.923 31.420 ( 2.904 -0.140 1.279) 3.176 31.590 ( -4.155 4.066 -0.239) 5.819 31.636 ( -3.910 6.630 -3.704) 8.542 31.918 ( -3.557 -1.854 7.306) 8.335 32.189 ( -2.329 -5.206 -6.378) 8.556 32.558 ( -1.337 4.463 2.443) 5.261 32.614 ( 0.563 5.324 -3.092) 6.182 32.833 ( 2.742 -1.401 -7.184) 7.816 32.905 ( -8.458 -1.692 1.610) 8.775 32.994 ( 0.188 0.945 0.461) 1.068 33.059 ( 1.308 6.331 -5.307) 8.364 33.296 ( 3.008 -7.318 7.101) 10.631 33.525 ( 1.266 3.324 2.335) 4.255 33.666 ( -1.355 -6.680 -6.900) 9.699 33.805 ( -6.633 -3.530 -1.348) 7.634 34.370 ( -0.486 2.204 7.571) 7.900 34.482 ( 4.204 -1.693 8.743) 9.848 34.540 ( 8.980 -2.339 2.356) 9.574 34.575 ( -2.157 -1.118 -1.639) 2.931 34.901 ( 4.873 -1.562 -5.635) 7.612 34.973 ( 2.905 -3.304 -5.519) 7.057 ======================= Grid point 107 (61/66) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.740 3.169 8.750) 9.467 1.468 ( 2.427 -0.068 3.226) 4.037 1.672 ( 1.336 4.542 9.086) 10.246 1.799 ( -2.962 -5.876 3.709) 7.553 1.894 ( -0.741 4.393 -3.433) 5.625 1.952 ( -1.447 -0.113 -2.467) 2.862 2.183 ( -2.348 4.005 10.576) 11.550 2.263 ( -1.913 -7.694 0.732) 7.962 2.304 ( -0.733 -7.441 -3.355) 8.195 2.356 ( 1.695 6.052 -2.191) 6.656 2.451 ( 0.781 -4.952 0.710) 5.064 2.550 ( 1.206 -0.487 3.068) 3.332 2.569 ( -1.966 -3.752 -2.429) 4.883 2.597 ( 2.746 -0.427 0.836) 2.902 2.823 ( 3.412 5.010 4.462) 7.527 2.894 ( -1.203 -0.954 -2.754) 3.153 3.002 ( -3.734 1.135 0.766) 3.977 3.050 ( 0.408 -0.319 -2.041) 2.106 3.066 ( 5.890 0.327 5.101) 7.799 3.125 ( -1.714 -7.239 -2.435) 7.828 3.248 ( -0.987 -1.388 0.760) 1.865 3.303 ( 1.194 0.507 1.261) 1.809 3.382 ( 2.592 3.582 -2.659) 5.160 3.438 ( -2.187 -2.115 1.575) 3.426 3.459 ( -2.672 5.063 -5.086) 7.658 3.505 ( 0.786 -0.903 -2.888) 3.126 3.541 ( 4.352 -1.809 4.320) 6.393 3.609 ( -6.957 3.690 -1.914) 8.104 3.658 ( -3.345 -6.103 -0.680) 6.993 3.697 ( 7.586 -9.336 -3.533) 12.537 3.728 ( 0.367 -5.953 -2.018) 6.296 3.798 ( -5.191 -11.290 -6.029) 13.812 3.962 ( 2.896 9.245 11.654) 15.155 4.076 ( 1.803 2.191 -1.333) 3.135 4.116 ( 1.145 0.933 7.152) 7.303 4.137 ( -0.037 0.869 1.453) 1.693 4.265 ( 0.686 1.461 -2.599) 3.060 4.300 ( -0.418 -0.945 -5.775) 5.867 4.528 ( 2.403 3.282 -2.479) 4.764 4.557 ( 0.935 0.834 -1.700) 2.111 4.579 ( -4.167 0.987 0.716) 4.342 4.613 ( -1.436 0.290 -2.019) 2.494 4.684 ( -1.987 1.018 0.643) 2.323 4.742 ( 2.825 -3.347 -2.893) 5.249 4.910 ( -0.042 4.423 8.018) 9.158 4.970 ( 1.293 -1.111 5.648) 5.900 4.999 ( -1.537 6.480 -1.238) 6.774 5.089 ( -3.036 -0.200 -4.739) 5.631 5.210 ( -2.816 0.288 5.829) 6.481 5.220 ( -2.651 -0.715 3.031) 4.090 5.289 ( 0.685 0.851 1.851) 2.149 5.330 ( 0.972 -1.306 -4.261) 4.561 5.375 ( 1.163 1.498 -0.111) 1.900 5.428 ( 1.059 -2.119 -5.031) 5.561 5.468 ( -0.370 3.638 1.930) 4.135 5.502 ( 0.259 1.804 -0.208) 1.834 5.630 ( 0.820 2.549 -3.505) 4.411 5.635 ( -0.598 1.570 -3.604) 3.977 5.828 ( 5.228 3.337 1.158) 6.309 5.848 ( -4.686 1.558 -0.208) 4.943 5.879 ( -3.444 0.527 2.974) 4.581 5.909 ( 4.077 -1.507 0.117) 4.348 6.083 ( -0.278 -1.666 2.285) 2.841 6.116 ( 1.381 -2.765 -1.682) 3.519 6.157 ( 1.011 -0.210 -0.722) 1.260 6.186 ( -3.726 -1.534 -0.995) 4.150 6.250 ( 0.724 0.009 4.296) 4.356 6.298 ( -0.884 -1.874 0.873) 2.248 6.377 ( -0.053 3.523 -1.563) 3.855 6.447 ( 1.136 0.165 -5.820) 5.932 6.508 ( 2.070 0.746 3.994) 4.560 6.572 ( 2.161 -2.696 -0.059) 3.456 6.576 ( -1.205 0.999 -1.550) 2.203 6.618 ( -1.991 -2.158 -3.942) 4.916 6.794 ( -1.054 -0.848 3.203) 3.477 6.827 ( 0.070 -2.685 -0.369) 2.712 7.388 ( -1.276 -0.320 -1.017) 1.663 7.389 ( 1.020 -0.134 -1.210) 1.589 7.552 ( 0.792 3.517 1.312) 3.836 7.580 ( -0.194 2.339 -1.583) 2.831 7.672 ( -0.144 -1.571 0.783) 1.761 7.692 ( 0.831 -2.365 -1.156) 2.761 7.955 ( -0.978 4.884 3.404) 6.033 7.981 ( 2.002 2.899 1.030) 3.671 8.686 ( -0.722 1.708 0.946) 2.082 8.758 ( 1.491 -4.568 -6.001) 7.688 9.823 ( -0.209 -1.090 2.667) 2.888 9.854 ( 1.757 -3.968 -0.204) 4.344 10.142 ( -0.951 3.153 -0.983) 3.437 10.178 ( -0.419 0.135 -5.085) 5.104 12.806 ( -0.628 0.464 -0.148) 0.794 12.808 ( 1.008 0.191 -0.459) 1.124 12.883 ( 0.533 -1.301 0.542) 1.507 12.892 ( -0.948 -1.974 -0.358) 2.219 13.023 ( 0.020 0.887 0.288) 0.933 13.033 ( 0.660 0.041 -0.694) 0.958 13.068 ( 0.912 -0.206 0.603) 1.113 13.077 ( -0.624 -0.992 -0.308) 1.212 13.601 ( -0.495 0.096 1.200) 1.302 13.613 ( -0.356 -0.923 0.138) 0.999 13.695 ( -0.714 0.555 0.554) 1.060 13.709 ( 0.307 -0.692 -0.510) 0.913 13.749 ( 0.363 0.517 -0.149) 0.649 13.755 ( 0.349 -0.047 -0.495) 0.607 13.907 ( 0.065 1.131 -0.097) 1.137 13.913 ( 0.137 0.580 -0.713) 0.930 17.279 ( -1.069 0.367 1.878) 2.192 17.293 ( -0.289 -0.814 0.673) 1.095 17.404 ( -0.589 0.251 0.567) 0.855 17.416 ( 0.793 -0.824 -0.623) 1.302 17.675 ( -0.318 0.427 0.219) 0.576 17.688 ( 0.022 -0.423 -0.823) 0.926 17.711 ( -0.053 -1.133 -0.521) 1.248 17.720 ( 0.781 -1.595 -1.265) 2.180 17.857 ( -0.349 0.149 0.336) 0.507 17.864 ( 0.752 -0.483 -0.406) 0.982 17.906 ( 0.935 0.348 0.690) 1.213 17.914 ( 1.333 -0.316 -0.007) 1.370 18.007 ( -0.298 -0.178 -0.108) 0.364 18.021 ( -0.610 -1.248 -1.326) 1.921 18.272 ( -1.037 0.762 1.098) 1.691 18.281 ( -1.159 -0.078 0.222) 1.183 18.450 ( 0.042 0.281 0.562) 0.629 18.451 ( -0.339 0.337 0.532) 0.715 18.473 ( 0.713 0.620 0.482) 1.061 18.488 ( -0.580 -0.680 -0.260) 0.931 18.619 ( -0.280 1.699 0.784) 1.892 18.625 ( 0.656 1.100 0.143) 1.289 18.688 ( -1.117 0.949 0.214) 1.482 18.695 ( 0.368 0.333 -0.504) 0.707 28.558 ( -0.003 0.263 0.401) 0.479 28.562 ( -0.030 -0.027 0.127) 0.133 28.576 ( 0.013 0.144 -0.081) 0.166 28.581 ( 0.490 -0.218 -0.432) 0.689 28.893 ( -0.190 0.242 0.423) 0.523 28.901 ( 0.188 -0.465 -0.418) 0.653 28.942 ( -0.058 0.117 0.055) 0.141 28.945 ( -0.172 -0.061 -0.166) 0.247 31.052 ( 1.478 2.046 0.892) 2.677 31.068 ( -0.141 0.820 -0.713) 1.095 31.416 ( 4.492 0.025 2.896) 5.344 31.427 ( 0.136 -1.074 1.484) 1.837 31.641 ( -5.231 7.942 4.501) 10.521 31.753 ( 1.042 6.301 -5.624) 8.510 31.835 ( -1.416 -3.951 4.442) 6.111 31.964 ( 0.938 -7.581 -7.518) 10.717 32.688 ( -2.205 5.419 0.980) 5.932 32.714 ( 2.206 3.787 -1.444) 4.615 32.760 ( -5.247 -0.772 3.621) 6.421 32.827 ( 3.932 -3.311 -3.026) 5.965 33.082 ( 0.436 6.727 4.465) 8.085 33.189 ( 0.714 7.514 -6.523) 9.975 33.260 ( 4.566 -7.548 6.166) 10.763 33.390 ( -2.616 -9.016 -6.906) 11.655 33.608 ( 0.428 0.141 2.032) 2.081 33.630 ( -3.435 -1.742 -0.092) 3.853 34.455 ( 0.298 1.472 3.616) 3.915 34.486 ( -0.477 -1.287 0.128) 1.379 34.578 ( -0.556 0.231 5.468) 5.501 34.613 ( 1.457 -2.835 4.229) 5.296 34.861 ( -0.968 -0.434 -5.692) 5.790 34.879 ( 0.177 -2.017 -6.305) 6.622 ======================= Grid point 108 (62/66) ======================= q-point: ( 0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.485 2.275 3.398) 5.373 1.595 ( 6.864 -3.874 -1.787) 8.081 1.731 ( -2.601 1.005 -3.161) 4.215 1.802 ( 2.159 9.551 7.078) 12.082 1.871 ( -0.845 -7.530 0.252) 7.581 1.896 ( 0.553 1.673 2.785) 3.295 2.180 ( -4.529 -2.276 5.656) 7.595 2.218 ( -3.706 -1.098 4.059) 5.605 2.306 ( 1.946 -4.260 -1.458) 4.905 2.400 ( 4.793 7.060 -4.434) 9.617 2.464 ( -1.286 -0.442 1.181) 1.801 2.504 ( -2.586 -5.686 1.505) 6.426 2.568 ( 2.600 -0.957 -3.136) 4.184 2.683 ( 3.617 -0.917 -0.652) 3.788 2.855 ( -4.980 0.013 -5.788) 7.636 2.875 ( -1.967 2.446 -0.472) 3.174 2.930 ( 1.988 -0.617 0.476) 2.135 3.009 ( -0.840 -2.860 3.797) 4.827 3.110 ( -3.332 -7.131 -1.831) 8.081 3.130 ( -2.104 -1.967 4.567) 5.399 3.254 ( -1.766 1.878 0.701) 2.672 3.283 ( -1.921 4.952 -4.782) 7.147 3.342 ( -2.063 -2.795 -0.700) 3.544 3.402 ( 0.458 3.116 2.913) 4.291 3.431 ( -1.409 -2.226 1.426) 2.996 3.459 ( 0.376 2.044 -1.182) 2.391 3.539 ( 1.724 -4.811 2.056) 5.508 3.551 ( 0.011 -7.277 -4.338) 8.472 3.672 ( 0.547 -5.136 -2.581) 5.774 3.754 ( 6.531 0.758 1.732) 6.799 3.819 ( 4.227 -2.514 1.800) 5.237 3.858 ( 8.122 -7.352 0.953) 10.997 4.034 ( 0.241 6.454 -3.539) 7.365 4.112 ( -1.932 1.643 0.398) 2.567 4.156 ( 3.146 4.088 4.923) 7.130 4.200 ( 3.150 -0.691 -5.155) 6.080 4.244 ( 0.225 1.143 -2.709) 2.949 4.283 ( 5.865 0.189 -0.304) 5.876 4.450 ( -5.651 1.940 -2.097) 6.332 4.522 ( -4.851 5.215 1.611) 7.302 4.533 ( -1.874 -3.229 -1.688) 4.097 4.581 ( -1.364 0.508 3.291) 3.598 4.715 ( 1.663 1.116 1.803) 2.694 4.794 ( 3.534 -3.891 -3.042) 6.073 4.855 ( -7.525 5.311 3.241) 9.764 4.948 ( -6.705 -1.313 -0.379) 6.843 5.010 ( 0.486 4.484 -0.580) 4.547 5.040 ( 0.086 1.073 5.513) 5.617 5.200 ( -3.358 -0.487 3.396) 4.800 5.233 ( -0.283 -2.636 6.349) 6.880 5.286 ( 0.047 1.564 -3.443) 3.782 5.314 ( -0.501 -1.768 -1.757) 2.543 5.370 ( 0.076 2.493 -0.387) 2.524 5.413 ( 1.505 1.050 0.113) 1.838 5.513 ( 2.319 2.965 0.486) 3.796 5.551 ( 2.883 0.148 0.885) 3.020 5.615 ( 1.488 5.286 -3.005) 6.260 5.664 ( 2.401 0.856 -0.540) 2.605 5.753 ( -2.857 1.081 -0.133) 3.057 5.815 ( -2.997 -4.083 0.198) 5.069 5.940 ( 4.170 3.622 0.202) 5.527 5.980 ( 3.966 -0.693 -0.528) 4.061 6.092 ( -0.472 -3.248 -0.321) 3.298 6.107 ( -1.324 -0.018 -2.995) 3.275 6.138 ( 1.808 0.050 1.344) 2.254 6.214 ( 2.248 -3.804 4.472) 6.287 6.270 ( -1.848 1.263 -1.421) 2.651 6.282 ( -1.358 -0.705 3.013) 3.379 6.361 ( -1.296 6.604 -1.231) 6.842 6.419 ( 0.794 3.979 -2.774) 4.916 6.510 ( -1.159 -2.577 -1.204) 3.072 6.552 ( -1.338 -6.405 -3.204) 7.285 6.602 ( 2.155 0.922 2.009) 3.087 6.618 ( 2.167 -0.511 0.116) 2.230 6.772 ( -3.824 -0.958 2.314) 4.572 6.795 ( -3.053 -3.057 -0.827) 4.399 7.373 ( 0.414 1.334 0.012) 1.396 7.392 ( -0.252 0.427 -0.246) 0.553 7.549 ( -0.546 2.476 -0.632) 2.614 7.598 ( 1.482 -0.139 0.374) 1.535 7.666 ( -0.293 -0.028 -0.390) 0.489 7.709 ( 1.923 -2.252 -1.383) 3.268 7.917 ( -4.204 5.819 0.435) 7.192 7.983 ( -1.889 0.707 -1.077) 2.286 8.709 ( 1.704 1.512 2.155) 3.136 8.773 ( 4.427 -4.145 -4.752) 7.704 9.795 ( -3.857 0.082 0.052) 3.859 9.847 ( -1.741 -4.459 -2.736) 5.513 10.150 ( 1.455 2.265 2.257) 3.514 10.170 ( 2.516 0.622 -0.669) 2.677 12.788 ( -0.995 1.257 -0.107) 1.607 12.819 ( 0.458 -1.174 -0.621) 1.405 12.873 ( -0.665 -0.462 0.029) 0.810 12.897 ( 0.083 -2.163 0.524) 2.228 13.014 ( -0.397 1.057 -0.479) 1.227 13.037 ( -0.038 -0.913 -0.593) 1.090 13.073 ( 1.001 0.968 -0.483) 1.474 13.097 ( 1.557 -1.219 -0.008) 1.977 13.598 ( -1.122 -0.159 1.387) 1.791 13.604 ( -0.940 -0.754 0.309) 1.244 13.683 ( -1.007 0.623 0.812) 1.436 13.701 ( -0.797 -1.057 0.031) 1.324 13.762 ( 1.124 0.383 -0.657) 1.357 13.764 ( 1.388 0.227 -0.702) 1.572 13.896 ( -1.237 0.952 -0.023) 1.561 13.899 ( -1.160 0.690 -0.463) 1.427 17.273 ( -1.289 0.376 1.966) 2.381 17.288 ( -0.925 -0.979 0.995) 1.675 17.394 ( -0.835 0.951 0.313) 1.304 17.419 ( 0.093 -1.295 -0.754) 1.501 17.671 ( -0.347 0.047 0.350) 0.495 17.686 ( -0.016 -0.785 0.071) 0.788 17.708 ( 0.255 -0.310 -0.755) 0.855 17.726 ( 0.838 -1.532 -0.967) 1.997 17.829 ( -2.223 0.491 -0.441) 2.319 17.843 ( -1.531 -0.755 -0.874) 1.918 17.919 ( 0.480 0.992 -1.124) 1.574 17.945 ( 1.022 -1.402 -1.495) 2.290 18.011 ( 1.284 0.311 0.497) 1.412 18.034 ( 1.822 -1.636 0.418) 2.484 18.251 ( -1.300 1.142 1.696) 2.423 18.276 ( -0.344 -0.839 1.543) 1.790 18.435 ( -2.495 0.739 1.681) 3.098 18.446 ( -1.903 -0.046 0.282) 1.924 18.481 ( 1.111 1.242 -0.874) 1.881 18.499 ( 1.950 -0.465 -0.001) 2.005 18.632 ( 1.053 2.002 -0.025) 2.262 18.649 ( 1.667 0.407 -0.754) 1.875 18.682 ( 0.026 1.946 1.215) 2.294 18.710 ( 1.336 -0.675 0.502) 1.579 28.549 ( -0.846 0.166 0.005) 0.863 28.553 ( -0.802 -0.140 -0.095) 0.820 28.584 ( 0.715 0.420 -0.230) 0.861 28.592 ( 0.866 -0.306 -0.515) 1.053 28.890 ( -0.435 0.218 0.345) 0.596 28.899 ( -0.174 -0.555 -0.317) 0.662 28.946 ( 0.267 0.107 0.230) 0.369 28.947 ( 0.388 0.054 0.116) 0.409 31.060 ( 0.266 1.693 -1.790) 2.478 31.078 ( 0.646 0.335 -0.544) 0.909 31.406 ( -0.521 2.440 -2.678) 3.661 31.455 ( 0.147 -1.416 -2.746) 3.093 31.664 ( 2.041 8.116 7.578) 11.290 31.799 ( 6.377 6.822 -3.834) 10.095 31.866 ( 0.213 -8.049 7.713) 11.150 31.961 ( 4.311 -6.104 -6.070) 9.627 32.658 ( -1.739 3.944 1.134) 4.457 32.705 ( -3.038 -0.538 2.921) 4.249 32.769 ( 3.537 5.959 0.168) 6.932 32.891 ( 5.480 -4.736 -1.802) 7.463 33.073 ( -2.651 8.238 -0.084) 8.654 33.198 ( 3.437 8.132 -2.304) 9.124 33.276 ( -2.640 -8.910 -6.737) 11.478 33.387 ( 3.408 -8.525 2.615) 9.547 33.592 ( -0.701 1.969 1.937) 2.849 33.653 ( 1.993 -3.609 4.347) 5.991 34.474 ( -4.869 1.553 4.399) 6.743 34.493 ( 1.728 0.676 -0.436) 1.906 34.527 ( -4.837 -1.010 -0.498) 4.966 34.577 ( -5.452 -4.264 -1.917) 7.182 34.797 ( -3.364 1.001 -0.459) 3.539 34.844 ( -1.541 -2.871 -0.672) 3.327 ======================= Grid point 109 (63/66) ======================= q-point: ( 0.33 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -4.066 1.636 -7.944) 9.073 1.575 ( -10.540 -7.657 0.744) 13.049 1.722 ( 4.627 3.937 2.287) 6.492 1.828 ( -0.065 -1.389 3.391) 3.665 1.934 ( 2.721 7.243 3.181) 8.365 2.005 ( 3.999 0.108 3.305) 5.189 2.167 ( -0.305 -3.038 2.964) 4.255 2.196 ( -2.404 0.350 3.110) 3.946 2.326 ( 2.058 -5.028 -1.263) 5.578 2.399 ( -0.022 3.761 -2.304) 4.411 2.420 ( -6.045 -5.140 -1.753) 8.126 2.497 ( 1.391 3.773 -1.678) 4.357 2.629 ( 4.478 1.456 0.305) 4.719 2.662 ( 0.194 3.713 -1.837) 4.147 2.772 ( 0.016 -13.533 -4.874) 14.384 2.843 ( -0.903 -4.235 -5.623) 7.097 2.898 ( -6.668 6.029 0.169) 8.991 2.987 ( -4.017 2.552 3.622) 5.981 3.100 ( 3.764 -7.218 4.392) 9.249 3.105 ( -3.082 -4.045 5.205) 7.277 3.257 ( -0.710 -1.772 -1.087) 2.197 3.279 ( 4.093 1.729 -6.264) 7.680 3.326 ( 1.148 -2.063 4.865) 5.408 3.402 ( -0.499 -2.674 -2.798) 3.902 3.489 ( 5.712 -0.981 5.440) 7.949 3.526 ( 3.871 3.129 2.121) 5.410 3.552 ( 6.932 -7.046 -3.084) 10.354 3.621 ( 3.310 -6.072 3.937) 7.957 3.714 ( 2.005 4.950 0.702) 5.387 3.816 ( -0.494 0.476 0.937) 1.161 3.854 ( -1.046 1.508 -2.836) 3.379 3.898 ( -3.575 -0.758 -3.962) 5.390 4.022 ( 1.629 -0.252 -2.802) 3.251 4.103 ( -1.009 3.381 -2.021) 4.067 4.110 ( -1.108 -5.050 -4.626) 6.938 4.145 ( -1.047 0.230 -1.742) 2.046 4.319 ( 2.262 4.501 0.966) 5.129 4.323 ( -1.830 2.682 -3.382) 4.689 4.425 ( -0.552 4.182 2.512) 4.909 4.501 ( 1.170 3.963 3.771) 5.595 4.506 ( 2.197 -4.103 -1.550) 4.906 4.603 ( 0.943 5.549 3.085) 6.418 4.659 ( -6.866 -1.332 2.531) 7.438 4.780 ( -5.677 -0.305 1.633) 5.915 4.798 ( -0.857 1.794 -2.130) 2.914 4.867 ( -0.176 -4.425 -2.478) 5.075 5.032 ( 1.588 3.508 1.651) 4.190 5.079 ( -0.117 -0.672 5.027) 5.073 5.163 ( -1.991 0.991 1.827) 2.878 5.219 ( -1.627 -1.009 -2.909) 3.483 5.299 ( 0.179 -2.450 0.634) 2.537 5.313 ( 0.948 -2.543 5.590) 6.214 5.397 ( 1.662 1.832 -0.606) 2.547 5.459 ( 2.981 -1.419 -1.337) 3.562 5.514 ( -1.756 5.798 1.886) 6.345 5.564 ( -1.740 1.190 1.558) 2.621 5.625 ( 0.854 5.909 1.055) 6.063 5.681 ( 1.576 1.718 -0.184) 2.339 5.778 ( 0.780 -1.311 1.180) 1.928 5.829 ( 4.032 -5.107 3.700) 7.485 5.973 ( -0.817 2.020 -1.424) 2.603 5.999 ( 0.381 0.513 -3.420) 3.480 6.068 ( 1.599 0.626 -1.447) 2.246 6.117 ( 2.170 -1.535 -1.198) 2.915 6.181 ( -0.542 0.652 0.794) 1.162 6.207 ( -2.973 2.843 -3.118) 5.162 6.234 ( -1.976 1.592 1.301) 2.851 6.300 ( 1.343 -6.117 5.744) 8.498 6.328 ( -0.045 6.183 -3.417) 7.064 6.440 ( 2.462 3.784 -1.484) 4.752 6.496 ( -0.637 -2.709 0.037) 2.783 6.522 ( 0.506 -5.783 -2.066) 6.162 6.639 ( -0.294 0.711 2.384) 2.505 6.649 ( 1.866 0.034 -0.854) 2.053 6.710 ( -4.174 -0.627 1.139) 4.372 6.729 ( -2.730 -1.958 -1.620) 3.730 7.387 ( 0.753 2.860 0.134) 2.961 7.411 ( 3.067 0.992 0.871) 3.339 7.508 ( -3.458 2.810 -1.015) 4.570 7.601 ( -2.618 -4.702 -0.262) 5.388 7.684 ( 3.247 1.880 0.090) 3.753 7.734 ( 2.164 -2.010 -1.351) 3.248 7.850 ( -3.015 4.107 -0.619) 5.133 7.919 ( -3.816 -1.319 -1.870) 4.450 8.753 ( 0.569 1.339 3.100) 3.424 8.817 ( 4.483 -4.319 -4.672) 7.784 9.713 ( -4.338 1.215 -1.225) 4.669 9.765 ( -4.145 -3.325 -3.832) 6.552 10.218 ( 3.070 2.543 4.058) 5.689 10.245 ( 5.312 0.237 0.605) 5.352 12.777 ( -0.286 1.358 0.343) 1.430 12.816 ( -0.116 -1.922 -0.805) 2.087 12.867 ( -0.127 0.055 -0.198) 0.241 12.891 ( -0.832 -1.773 -0.196) 1.969 13.010 ( 0.352 1.194 -0.408) 1.310 13.033 ( 0.021 -0.758 -0.467) 0.891 13.091 ( 1.186 0.916 -0.210) 1.514 13.116 ( 0.772 -1.307 -0.384) 1.566 13.580 ( -1.753 -0.265 1.044) 2.057 13.586 ( -1.385 -0.930 0.348) 1.704 13.680 ( -0.125 0.373 1.014) 1.088 13.692 ( -0.403 -0.826 0.658) 1.130 13.778 ( 1.524 0.784 -0.806) 1.894 13.788 ( 1.934 -0.046 -0.906) 2.136 13.868 ( -1.793 0.794 -0.256) 1.977 13.871 ( -1.876 0.577 0.075) 1.965 17.268 ( -0.959 0.172 1.918) 2.151 17.280 ( -0.897 -0.919 1.208) 1.763 17.383 ( -0.555 1.154 0.231) 1.301 17.410 ( -0.262 -1.202 -1.069) 1.629 17.671 ( -0.009 -0.189 0.615) 0.643 17.686 ( -0.227 -1.360 0.724) 1.557 17.708 ( 0.465 0.472 -1.097) 1.281 17.732 ( 0.609 -1.575 -1.085) 2.008 17.791 ( -1.322 0.351 -0.851) 1.611 17.810 ( -1.298 -1.286 -1.465) 2.342 17.911 ( -0.339 0.813 -0.584) 1.057 17.931 ( -0.782 -1.188 -1.317) 1.939 18.044 ( 1.526 0.284 0.485) 1.626 18.062 ( 0.958 -1.183 0.178) 1.532 18.271 ( 1.819 1.302 2.000) 3.001 18.299 ( 1.684 -0.973 1.723) 2.598 18.396 ( -2.874 0.858 0.523) 3.044 18.408 ( -2.507 -0.068 0.700) 2.604 18.500 ( 1.393 1.887 -0.503) 2.399 18.524 ( 0.602 -0.391 0.186) 0.741 18.640 ( 0.433 1.550 -1.309) 2.074 18.655 ( 0.191 0.191 -0.891) 0.931 18.710 ( 1.143 1.982 2.095) 3.102 18.742 ( 1.111 -0.934 1.316) 1.959 28.535 ( -0.665 0.130 -0.034) 0.678 28.539 ( -0.522 -0.223 -0.317) 0.650 28.592 ( 0.386 0.386 -0.225) 0.591 28.599 ( 0.418 -0.241 -0.625) 0.790 28.886 ( -0.317 0.057 0.282) 0.428 28.892 ( -0.252 -0.560 -0.237) 0.658 28.953 ( 0.240 0.287 0.427) 0.568 28.956 ( 0.512 0.088 0.085) 0.526 31.046 ( -0.260 1.105 -2.028) 2.324 31.059 ( -1.590 0.038 -1.295) 2.051 31.402 ( 1.659 2.740 -2.170) 3.869 31.438 ( 0.725 -0.191 -2.987) 3.079 31.755 ( 1.745 7.009 6.132) 9.475 31.860 ( 4.721 7.403 -4.501) 9.866 31.935 ( -0.949 -8.524 8.453) 12.042 32.007 ( 5.803 -5.522 -5.716) 9.841 32.650 ( -0.976 3.761 2.819) 4.800 32.699 ( -0.185 -0.326 3.170) 3.192 32.832 ( 3.928 6.620 -1.169) 7.786 32.967 ( 3.489 -5.433 -0.819) 6.509 33.038 ( -0.395 5.178 -0.397) 5.208 33.159 ( -3.737 -0.767 -5.829) 6.966 33.262 ( 4.978 1.642 -2.937) 6.008 33.399 ( -3.350 -6.341 1.074) 7.251 33.661 ( 5.526 2.311 4.183) 7.306 33.743 ( 3.796 -4.747 5.403) 8.132 34.303 ( -12.480 1.848 1.510) 12.706 34.388 ( -10.141 -5.309 -2.451) 11.706 34.538 ( 5.238 1.695 -2.772) 6.164 34.572 ( 3.449 -0.739 -1.448) 3.813 34.734 ( -4.465 0.968 2.373) 5.148 34.796 ( -4.496 -3.648 1.320) 5.939 ======================= Grid point 110 (64/66) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -7.931 1.559 2.790) 8.550 1.417 ( 0.317 -2.683 -2.439) 3.640 1.800 ( 0.796 -0.528 3.148) 3.290 1.839 ( -0.462 -0.767 0.783) 1.189 1.966 ( -5.164 9.974 5.157) 12.359 2.031 ( 3.176 3.367 -3.152) 5.600 2.191 ( -1.568 -6.281 3.052) 7.157 2.217 ( -0.440 0.574 8.615) 8.645 2.269 ( -3.217 -6.492 -1.608) 7.422 2.402 ( -1.201 -5.006 4.011) 6.526 2.415 ( 2.723 -0.102 2.064) 3.419 2.445 ( -1.276 4.464 -7.351) 8.695 2.649 ( -2.753 0.822 -3.141) 4.256 2.693 ( -0.516 -6.332 1.336) 6.492 2.741 ( 3.401 -4.562 -4.190) 7.067 2.745 ( -3.967 -5.877 -0.501) 7.108 2.896 ( 4.052 6.711 0.194) 7.842 2.948 ( -1.549 4.769 -1.789) 5.324 3.120 ( 0.653 -3.289 3.958) 5.187 3.157 ( -0.320 -3.931 0.249) 3.952 3.233 ( -3.112 -1.662 2.531) 4.342 3.286 ( 0.753 -4.376 -2.848) 5.275 3.388 ( 2.568 -2.976 1.858) 4.348 3.409 ( 0.339 -4.796 0.848) 4.883 3.583 ( 0.084 4.810 3.392) 5.887 3.646 ( -1.142 -0.300 -4.221) 4.384 3.666 ( 8.596 -1.201 2.041) 8.916 3.687 ( 4.280 -2.329 0.894) 4.954 3.725 ( -1.754 1.998 1.433) 3.020 3.767 ( -2.981 -1.238 -1.376) 3.509 3.777 ( -1.126 1.717 -1.051) 2.307 3.799 ( 0.130 1.191 -2.055) 2.379 3.989 ( -3.293 -5.397 -3.441) 7.198 4.019 ( -1.717 -4.998 -5.355) 7.523 4.113 ( -5.074 4.774 0.403) 6.978 4.135 ( 4.024 4.088 -1.418) 5.909 4.296 ( -3.716 -1.093 0.458) 3.900 4.318 ( 5.510 -1.624 -0.877) 5.811 4.469 ( 0.870 7.267 4.285) 8.481 4.507 ( -5.481 4.758 0.404) 7.269 4.561 ( -0.127 2.882 0.785) 2.990 4.575 ( 5.332 0.763 0.401) 5.401 4.653 ( -4.398 5.640 2.968) 7.743 4.722 ( 6.707 -0.452 -3.487) 7.573 4.787 ( -0.815 -2.010 0.372) 2.201 4.834 ( -1.604 -4.819 -3.747) 6.311 5.070 ( -1.413 3.887 2.806) 4.998 5.090 ( 0.839 2.307 1.239) 2.750 5.186 ( 1.763 -2.235 1.325) 3.140 5.205 ( 0.873 -3.990 -0.105) 4.085 5.300 ( -1.185 -0.776 2.282) 2.686 5.346 ( -3.154 -4.632 3.184) 6.445 5.383 ( 0.666 0.465 -2.353) 2.489 5.454 ( 1.524 -2.668 -3.819) 4.902 5.561 ( -0.321 5.637 6.529) 8.632 5.581 ( 0.585 1.564 5.049) 5.318 5.638 ( 0.997 3.798 -1.435) 4.181 5.693 ( 1.661 1.833 -3.950) 4.660 5.811 ( 1.407 2.954 2.719) 4.255 5.894 ( -3.171 3.010 -2.759) 5.169 5.931 ( 1.100 -3.213 6.694) 7.507 5.990 ( -1.341 -3.120 1.851) 3.868 6.070 ( -0.935 1.165 -1.633) 2.213 6.104 ( -2.714 -0.281 -4.640) 5.383 6.152 ( 1.131 1.789 -1.965) 2.888 6.166 ( 1.454 -0.309 -2.257) 2.703 6.241 ( -1.495 2.921 2.211) 3.957 6.305 ( 0.755 2.665 -2.384) 3.655 6.359 ( 0.278 -3.941 2.937) 4.923 6.448 ( 1.138 -3.640 -3.647) 5.277 6.489 ( -1.076 1.460 2.383) 2.995 6.520 ( 0.559 -0.648 -1.119) 1.409 6.633 ( -0.317 2.180 1.111) 2.467 6.662 ( 0.115 1.189 -1.773) 2.138 6.681 ( 0.654 -0.938 1.278) 1.715 6.712 ( 1.614 -2.464 -1.961) 3.538 7.421 ( 2.988 3.818 0.422) 4.867 7.438 ( -2.668 4.968 -1.233) 5.772 7.491 ( 4.269 -2.160 1.615) 5.050 7.527 ( -4.282 -2.659 -1.939) 5.400 7.728 ( -0.077 0.264 1.359) 1.387 7.761 ( 1.597 -2.458 -1.642) 3.360 7.820 ( 0.029 1.166 0.857) 1.447 7.841 ( -3.246 -0.672 -0.970) 3.454 8.766 ( -1.379 1.933 2.763) 3.643 8.853 ( 4.136 -5.801 -5.739) 9.148 9.663 ( -0.559 0.646 0.322) 0.912 9.684 ( -1.842 -1.366 -2.086) 3.101 10.280 ( 0.722 3.322 2.127) 4.010 10.322 ( 3.456 -0.063 -2.148) 4.070 12.784 ( 0.583 0.744 0.760) 1.213 12.804 ( -0.357 -0.849 -1.238) 1.543 12.868 ( 0.208 -0.786 0.023) 0.813 12.875 ( -0.234 -1.274 -0.686) 1.466 13.017 ( 0.502 0.884 0.115) 1.023 13.026 ( -0.363 0.224 -0.719) 0.836 13.106 ( 0.382 -0.157 0.431) 0.597 13.115 ( -0.577 -0.912 -0.524) 1.200 13.564 ( -0.837 -0.237 1.133) 1.428 13.574 ( 0.160 -1.167 0.175) 1.191 13.689 ( 0.084 0.216 0.798) 0.831 13.694 ( 0.255 -0.269 0.350) 0.510 13.793 ( -0.002 0.733 -0.277) 0.784 13.800 ( -0.352 0.105 -0.991) 1.056 13.846 ( -0.205 0.719 0.151) 0.763 13.851 ( 0.714 0.279 -0.296) 0.822 17.269 ( -0.544 -0.021 1.760) 1.842 17.277 ( -0.431 -0.788 1.110) 1.428 17.380 ( -0.059 0.901 0.495) 1.030 17.399 ( 0.048 -0.741 -1.187) 1.400 17.679 ( 0.231 -0.234 0.755) 0.824 17.692 ( 0.181 -1.146 1.093) 1.594 17.705 ( 0.337 -0.037 -1.332) 1.374 17.727 ( 0.071 -1.638 -1.721) 2.377 17.778 ( 0.288 -0.455 -0.492) 0.730 17.784 ( -0.214 -1.045 -1.293) 1.677 17.906 ( -0.008 0.261 0.085) 0.274 17.910 ( -0.773 -0.183 -0.441) 0.908 18.064 ( 0.420 -0.108 0.226) 0.489 18.070 ( 0.154 -0.598 -0.339) 0.705 18.324 ( 2.210 1.635 1.870) 3.325 18.344 ( -0.369 1.306 0.382) 1.410 18.357 ( 0.642 -0.928 0.738) 1.348 18.369 ( -2.409 -0.528 0.091) 2.468 18.515 ( -0.137 1.548 0.312) 1.585 18.524 ( 0.308 0.792 -0.535) 1.004 18.636 ( -0.128 0.646 -0.277) 0.714 18.645 ( -0.583 -0.316 -0.936) 1.147 18.739 ( 0.210 1.387 2.253) 2.654 18.756 ( -0.416 -0.161 0.664) 0.800 28.529 ( -0.126 0.100 0.105) 0.193 28.532 ( 0.002 -0.237 -0.277) 0.365 28.594 ( -0.008 0.251 -0.069) 0.261 28.598 ( 0.021 -0.139 -0.523) 0.541 28.884 ( -0.140 -0.061 0.291) 0.328 28.889 ( 0.111 -0.512 -0.239) 0.576 28.958 ( -0.069 0.435 0.346) 0.560 28.962 ( 0.206 0.068 -0.087) 0.234 31.022 ( -1.471 1.142 0.049) 1.863 31.035 ( 0.305 0.048 -1.363) 1.398 31.404 ( -0.949 1.681 0.112) 1.934 31.424 ( -0.700 -0.057 -1.947) 2.070 31.795 ( -2.054 6.179 4.924) 8.163 31.898 ( 3.808 8.038 -5.519) 10.467 31.937 ( -4.853 -5.541 6.683) 9.946 32.065 ( 5.894 -6.267 -6.222) 10.617 32.665 ( -0.566 4.790 4.153) 6.365 32.727 ( 1.640 0.958 -0.564) 1.981 32.883 ( 2.485 1.973 0.755) 3.261 32.972 ( -0.833 -4.698 -5.624) 7.376 33.023 ( -4.120 3.715 3.969) 6.821 33.081 ( -1.110 -0.049 -1.477) 1.849 33.318 ( -2.906 -1.136 -0.203) 3.127 33.355 ( 5.850 -3.057 -3.393) 7.421 33.784 ( 0.817 1.133 4.940) 5.134 33.810 ( 0.453 -1.218 2.125) 2.491 34.176 ( -1.862 -0.477 3.382) 3.889 34.232 ( -4.106 -5.093 -1.725) 6.766 34.566 ( -4.150 3.921 0.619) 5.743 34.614 ( 4.295 0.173 -3.660) 5.645 34.731 ( 0.222 -2.411 0.713) 2.524 34.744 ( 3.400 -3.064 -0.435) 4.597 ======================= Grid point 111 (65/66) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -2.217 9.645 7.830) 12.619 1.536 ( 8.539 -8.945 4.741) 13.244 1.772 ( -9.236 -1.308 -2.363) 9.622 1.804 ( -3.784 -3.950 3.719) 6.615 1.895 ( -3.211 9.975 6.514) 12.339 2.052 ( -3.092 -2.421 0.963) 4.044 2.133 ( -5.268 7.069 5.172) 10.222 2.253 ( 1.551 -1.412 -0.833) 2.256 2.291 ( 1.196 -0.630 2.744) 3.059 2.391 ( -0.870 -0.532 -2.866) 3.042 2.407 ( 3.567 -8.446 3.458) 9.799 2.478 ( -0.374 4.809 -0.316) 4.834 2.595 ( -1.222 -6.326 3.219) 7.202 2.663 ( -3.290 -5.423 4.072) 7.538 2.682 ( -2.286 -2.854 -2.272) 4.305 2.817 ( 7.529 -7.275 -3.974) 11.199 2.909 ( -0.646 6.867 -1.538) 7.066 2.976 ( 1.337 3.269 2.936) 4.592 3.136 ( -5.860 -1.968 -0.024) 6.182 3.162 ( 2.928 1.931 1.144) 3.689 3.181 ( 0.923 -0.622 2.998) 3.198 3.261 ( -0.142 -9.329 -2.665) 9.703 3.396 ( -1.732 -0.511 -0.741) 1.952 3.440 ( 1.398 -3.792 -2.720) 4.872 3.510 ( -5.979 0.644 -4.052) 7.252 3.541 ( -3.142 -0.923 -2.367) 4.041 3.658 ( -2.013 2.597 -5.451) 6.365 3.695 ( -4.140 2.282 4.167) 6.302 3.749 ( 0.784 -3.116 -6.548) 7.294 3.775 ( 0.658 3.040 0.211) 3.117 3.829 ( 2.243 -0.090 1.705) 2.819 3.844 ( 2.290 -1.152 1.729) 3.092 3.931 ( -0.707 -1.556 5.279) 5.549 4.009 ( 1.966 -7.370 0.502) 7.645 4.070 ( -0.220 3.650 1.362) 3.902 4.152 ( -2.589 -0.597 -0.442) 2.694 4.261 ( -2.354 2.074 1.195) 3.358 4.342 ( -1.490 -3.269 -0.375) 3.613 4.462 ( 3.244 8.564 0.478) 9.170 4.510 ( 3.608 1.422 -2.298) 4.508 4.561 ( -0.197 3.690 -0.913) 3.806 4.639 ( -0.707 2.667 0.043) 2.759 4.690 ( 6.302 -0.053 -0.792) 6.352 4.761 ( -1.165 -4.168 2.199) 4.854 4.803 ( 0.667 1.449 -0.906) 1.834 4.835 ( 5.718 -1.401 -0.597) 5.917 5.037 ( -2.487 5.714 1.736) 6.469 5.135 ( 2.553 -0.283 1.152) 2.815 5.166 ( -4.055 0.532 -1.201) 4.262 5.202 ( 0.875 -1.974 -1.551) 2.658 5.303 ( 1.020 -1.174 0.489) 1.630 5.354 ( -0.469 -3.356 4.046) 5.278 5.375 ( -0.854 1.160 -0.421) 1.500 5.444 ( -1.063 -3.785 -2.068) 4.442 5.548 ( -2.882 4.377 0.956) 5.327 5.595 ( -1.186 -1.362 0.724) 1.946 5.653 ( 1.792 5.637 -2.235) 6.323 5.705 ( 1.587 5.343 -3.676) 6.677 5.815 ( -1.277 1.135 -1.230) 2.105 5.864 ( -0.404 4.787 4.854) 6.830 5.931 ( -4.251 -4.758 -3.357) 7.210 5.967 ( -4.103 -2.891 2.120) 5.449 6.031 ( -0.843 2.906 1.402) 3.335 6.094 ( 1.075 -0.452 1.355) 1.788 6.147 ( 0.227 0.329 -0.748) 0.848 6.170 ( 1.841 -3.281 1.506) 4.052 6.258 ( 1.706 4.036 0.886) 4.470 6.312 ( 0.749 3.469 -3.656) 5.095 6.352 ( -0.911 -3.300 4.733) 5.841 6.415 ( -1.737 -6.137 -3.605) 7.326 6.496 ( -0.368 3.197 0.330) 3.235 6.548 ( 2.662 -2.767 -2.614) 4.645 6.641 ( -0.213 2.198 0.536) 2.273 6.664 ( 1.187 1.541 -0.226) 1.958 6.709 ( 2.181 -1.396 -0.293) 2.606 6.742 ( 3.698 -2.003 -1.723) 4.545 7.402 ( -0.141 3.951 -1.444) 4.209 7.440 ( -3.114 0.906 -2.042) 3.833 7.490 ( 3.548 1.972 0.720) 4.122 7.577 ( 3.595 -3.903 1.868) 5.626 7.699 ( -3.695 0.327 -0.647) 3.765 7.726 ( -2.189 -1.245 -0.918) 2.680 7.829 ( 1.345 2.115 1.338) 2.842 7.868 ( 2.483 -0.794 3.090) 4.043 8.752 ( -2.252 2.798 1.574) 3.922 8.859 ( 1.705 -6.909 -7.188) 10.115 9.688 ( 2.667 0.228 1.272) 2.964 9.704 ( 3.603 -1.036 2.602) 4.564 10.263 ( -2.712 3.913 -1.384) 4.958 10.316 ( -0.326 -0.283 -6.097) 6.112 12.791 ( 0.093 0.423 -1.050) 1.136 12.802 ( 0.678 -0.446 0.479) 0.943 12.866 ( 0.151 -0.249 -0.100) 0.308 12.887 ( 1.243 -1.987 0.061) 2.345 13.011 ( -0.598 1.075 -0.475) 1.319 13.026 ( 0.319 -0.085 0.172) 0.372 13.091 ( -1.694 0.043 -0.253) 1.714 13.108 ( -0.604 -1.139 0.575) 1.411 13.573 ( 0.688 0.246 1.228) 1.429 13.592 ( 1.412 -1.450 0.211) 2.035 13.691 ( 0.028 0.561 -0.012) 0.562 13.704 ( 0.515 -0.556 -0.287) 0.811 13.770 ( -1.614 0.662 -0.042) 1.745 13.777 ( -1.483 -0.001 0.053) 1.484 13.866 ( 1.896 1.199 -0.134) 2.247 13.878 ( 2.138 0.040 -0.611) 2.224 17.274 ( -0.340 -0.051 1.651) 1.686 17.281 ( 0.037 -0.701 0.795) 1.061 17.388 ( 0.394 0.379 0.721) 0.905 17.397 ( 0.645 -0.405 -0.875) 1.160 17.684 ( -0.100 0.689 -0.079) 0.700 17.700 ( 0.719 -0.671 -1.031) 1.425 17.710 ( 0.300 -1.699 0.895) 1.944 17.714 ( 0.217 -1.645 -1.821) 2.463 17.784 ( 1.305 0.076 -0.283) 1.338 17.795 ( 1.540 -0.877 -0.024) 1.772 17.900 ( -0.481 0.420 0.518) 0.822 17.910 ( 0.065 -0.623 0.816) 1.029 18.056 ( -0.936 0.293 -0.701) 1.205 18.069 ( -0.210 -0.770 -0.478) 0.930 18.302 ( -2.064 1.301 -0.895) 2.599 18.324 ( -1.872 -0.411 -0.611) 2.011 18.382 ( 2.342 1.203 1.556) 3.058 18.406 ( 2.264 -0.737 1.000) 2.583 18.496 ( -1.536 2.348 -0.087) 2.807 18.531 ( 0.002 -0.489 -0.492) 0.694 18.623 ( -0.972 0.788 0.254) 1.277 18.635 ( -0.496 -0.147 0.743) 0.906 18.738 ( -1.531 0.894 -0.234) 1.788 18.745 ( -1.321 0.264 1.160) 1.778 28.533 ( 0.449 0.097 0.252) 0.524 28.536 ( 0.598 -0.204 -0.052) 0.634 28.591 ( -0.344 0.140 0.038) 0.373 28.593 ( -0.285 -0.058 -0.208) 0.358 28.885 ( 0.089 0.034 0.268) 0.285 28.893 ( 0.449 -0.567 -0.220) 0.756 28.955 ( -0.413 0.464 0.106) 0.630 28.961 ( -0.212 0.011 -0.285) 0.355 31.012 ( -0.201 1.999 1.365) 2.429 31.043 ( 1.014 -0.623 0.370) 1.246 31.369 ( -3.539 1.440 1.194) 4.003 31.391 ( -1.971 -0.462 1.430) 2.479 31.769 ( -4.303 6.026 3.888) 8.364 31.880 ( -3.097 0.611 0.707) 3.235 31.905 ( -1.506 4.532 -1.979) 5.170 32.092 ( 2.423 -7.870 -7.486) 11.129 32.679 ( -0.700 5.961 2.160) 6.379 32.743 ( 1.811 2.549 -2.924) 4.281 32.858 ( -4.353 0.199 -3.185) 5.397 32.931 ( -1.790 -4.841 0.313) 5.171 33.005 ( -1.310 1.294 3.814) 4.235 33.057 ( -1.852 -3.176 5.498) 6.614 33.271 ( -0.040 6.673 -3.633) 7.598 33.444 ( 5.637 -7.145 -3.281) 9.674 33.699 ( -7.434 3.067 0.105) 8.042 33.803 ( -4.487 -4.813 -0.052) 6.581 34.269 ( 7.292 -0.738 5.021) 8.885 34.291 ( 7.121 -2.100 5.562) 9.277 34.497 ( -3.408 4.284 0.830) 5.537 34.584 ( -3.131 -3.222 -1.292) 4.675 34.802 ( 7.881 0.180 -4.270) 8.965 34.841 ( 7.015 -3.123 -3.107) 8.284 ======================= Grid point 112 (66/66) ======================= q-point: (-0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.044 9.621 11.886) 15.292 1.554 ( -12.947 0.451 3.237) 13.354 1.645 ( -2.810 -2.565 5.424) 6.625 1.781 ( -0.867 -10.975 7.260) 13.188 1.940 ( 2.242 2.993 2.516) 4.507 1.953 ( -4.124 3.954 -3.593) 6.749 2.131 ( -0.640 4.613 7.197) 8.572 2.290 ( -1.760 -4.055 1.447) 4.651 2.316 ( 4.381 -0.472 -4.705) 6.446 2.367 ( -1.383 2.738 0.271) 3.079 2.452 ( 0.394 3.134 -1.271) 3.405 2.505 ( 3.075 -7.553 4.042) 9.102 2.530 ( -4.567 -6.731 0.892) 8.183 2.662 ( -2.924 -6.446 0.623) 7.105 2.723 ( 4.856 6.829 4.814) 9.664 2.894 ( 3.690 -6.508 -1.618) 7.654 2.922 ( 2.430 5.360 2.066) 6.237 3.020 ( 1.602 -3.133 6.586) 7.467 3.060 ( -2.709 2.180 -1.329) 3.722 3.185 ( -1.861 -3.767 -1.098) 4.343 3.246 ( 2.069 -3.203 -1.587) 4.130 3.285 ( 3.825 -3.445 0.655) 5.189 3.339 ( 2.227 2.232 -5.860) 6.654 3.408 ( -1.267 1.762 -0.720) 2.287 3.465 ( 1.827 -3.260 1.925) 4.204 3.496 ( 0.145 -5.262 -3.134) 6.127 3.560 ( -1.585 2.506 -9.801) 10.240 3.660 ( -2.851 4.930 1.286) 5.838 3.692 ( 1.115 -7.196 -10.295) 12.610 3.752 ( -7.468 5.364 4.379) 10.184 3.806 ( -1.574 1.592 3.030) 3.767 3.889 ( -1.772 -4.664 -0.779) 5.050 3.943 ( -3.369 -1.868 1.545) 4.151 4.042 ( -2.262 -6.255 8.452) 10.755 4.087 ( -1.338 1.922 3.112) 3.894 4.110 ( 0.867 0.813 0.313) 1.229 4.248 ( 0.525 3.114 2.614) 4.099 4.332 ( 0.300 -1.460 -2.260) 2.707 4.514 ( 2.022 1.637 -5.735) 6.298 4.531 ( 1.729 -1.110 -1.778) 2.717 4.581 ( 5.311 7.095 -2.786) 9.290 4.626 ( 0.408 2.510 -1.447) 2.926 4.731 ( -1.663 -1.775 1.133) 2.683 4.769 ( -1.634 -3.451 -1.379) 4.059 4.831 ( 2.058 2.402 3.946) 5.057 4.892 ( 2.106 -2.253 2.800) 4.165 5.031 ( -0.029 7.353 -0.074) 7.353 5.119 ( 0.188 1.419 -1.641) 2.178 5.196 ( 1.603 0.248 3.762) 4.097 5.238 ( 1.601 -3.273 3.952) 5.375 5.269 ( -2.569 2.155 -1.960) 3.884 5.340 ( -1.488 -2.680 -1.343) 3.346 5.392 ( 1.582 -0.180 -3.129) 3.511 5.401 ( -0.448 -0.192 0.366) 0.610 5.516 ( -2.552 4.782 -0.262) 5.427 5.543 ( -4.820 2.532 0.524) 5.470 5.647 ( 0.659 3.747 -3.564) 5.213 5.694 ( 1.025 3.312 -3.590) 4.991 5.791 ( -3.869 -0.516 -4.833) 6.213 5.841 ( 3.573 -3.042 -1.301) 4.870 5.893 ( -1.965 2.141 6.767) 7.365 5.913 ( -3.696 -0.727 2.143) 4.334 6.052 ( 1.335 1.706 1.362) 2.559 6.111 ( 0.989 -2.247 -0.982) 2.644 6.166 ( -0.599 0.398 5.400) 5.448 6.217 ( -1.330 3.581 -3.781) 5.375 6.250 ( -0.306 -3.744 4.133) 5.585 6.298 ( -1.112 -1.340 -0.918) 1.968 6.383 ( 1.230 -2.026 -2.504) 3.448 6.411 ( 4.409 1.161 0.534) 4.590 6.480 ( -0.186 0.241 -1.736) 1.763 6.547 ( 1.109 -4.696 -2.742) 5.550 6.623 ( -1.893 2.827 -0.968) 3.538 6.667 ( -0.650 -0.613 -1.810) 2.018 6.761 ( 2.158 -0.416 2.399) 3.253 6.798 ( 3.440 -2.044 -0.768) 4.075 7.391 ( -0.304 1.496 -1.833) 2.385 7.407 ( 0.720 0.785 -1.660) 1.973 7.530 ( 0.301 2.469 1.214) 2.768 7.610 ( -1.294 -2.734 -0.601) 3.084 7.655 ( 0.627 1.016 0.568) 1.322 7.699 ( -0.642 -1.518 -0.535) 1.733 7.891 ( 3.639 4.107 3.185) 6.345 7.932 ( 1.926 1.009 3.609) 4.214 8.715 ( -2.778 2.466 0.638) 3.769 8.807 ( -0.786 -5.707 -7.198) 9.219 9.767 ( 3.624 -0.291 2.982) 4.702 9.796 ( 3.981 -2.799 2.605) 5.520 10.192 ( -2.976 3.901 -2.874) 5.686 10.243 ( -1.453 -0.262 -7.486) 7.631 12.793 ( 0.917 0.683 -0.675) 1.327 12.812 ( 0.111 -0.702 0.146) 0.725 12.872 ( 0.462 -0.027 0.110) 0.475 12.903 ( 0.300 -2.447 -0.149) 2.469 13.008 ( 0.622 1.082 0.085) 1.251 13.032 ( 0.297 -1.063 -0.024) 1.104 13.064 ( -1.217 1.247 0.397) 1.788 13.095 ( -1.131 -1.482 0.236) 1.879 13.594 ( 0.411 0.361 1.189) 1.309 13.612 ( 0.565 -1.233 0.037) 1.357 13.694 ( 0.349 0.366 0.095) 0.514 13.705 ( 0.334 -0.473 -0.794) 0.983 13.752 ( -0.630 0.554 0.232) 0.871 13.759 ( -0.609 -0.021 -0.068) 0.613 13.895 ( 1.419 1.232 -0.180) 1.887 13.905 ( 1.430 0.307 -0.748) 1.643 17.280 ( -0.527 0.129 1.702) 1.786 17.288 ( 0.172 -0.683 0.586) 0.916 17.401 ( 0.422 -0.010 0.518) 0.668 17.406 ( 0.813 -0.436 -0.424) 1.015 17.680 ( -0.169 0.748 -0.291) 0.820 17.696 ( -0.020 -0.734 -1.275) 1.472 17.713 ( 0.477 -1.268 -0.712) 1.531 17.717 ( 0.446 -1.781 -0.728) 1.975 17.822 ( 2.909 0.322 0.259) 2.939 17.829 ( 2.150 -0.469 0.533) 2.264 17.898 ( -0.532 0.544 1.058) 1.303 17.915 ( -0.682 -1.182 1.442) 1.985 18.028 ( -1.322 0.678 -1.193) 1.905 18.050 ( -1.196 -1.273 -1.129) 2.080 18.274 ( -0.353 1.330 -0.528) 1.474 18.298 ( -0.682 -0.644 -0.615) 1.122 18.430 ( 1.642 0.775 1.609) 2.426 18.443 ( 1.274 -0.434 0.666) 1.501 18.470 ( -1.121 2.042 0.060) 2.331 18.509 ( -1.564 -1.335 -0.798) 2.206 18.619 ( -0.278 1.411 0.871) 1.682 18.630 ( -1.073 0.547 1.113) 1.639 18.707 ( -1.155 1.113 -0.916) 1.847 18.717 ( -2.205 0.158 0.222) 2.222 28.546 ( 0.762 0.192 0.319) 0.848 28.550 ( 0.920 -0.192 0.157) 0.953 28.583 ( -0.519 0.173 -0.089) 0.555 28.586 ( -0.485 -0.098 0.053) 0.497 28.890 ( 0.154 0.168 0.321) 0.394 28.899 ( 0.432 -0.548 -0.304) 0.761 28.947 ( -0.460 0.344 -0.053) 0.577 28.952 ( -0.421 -0.073 -0.333) 0.542 31.027 ( 0.433 2.469 1.607) 2.978 31.066 ( 0.689 -0.716 0.802) 1.277 31.341 ( -0.341 2.673 3.552) 4.458 31.394 ( 0.349 -1.991 3.271) 3.845 31.713 ( -5.562 6.595 3.489) 9.305 31.828 ( -1.404 9.790 -8.449) 13.007 31.845 ( -4.596 -4.902 5.689) 8.804 32.034 ( -1.266 -8.679 -8.622) 12.299 32.683 ( 0.588 5.983 0.221) 6.016 32.733 ( -1.530 4.442 -0.882) 4.781 32.798 ( 0.616 -1.801 -3.297) 3.807 32.850 ( -6.431 -3.349 2.006) 7.523 33.031 ( 1.139 2.767 3.623) 4.699 33.132 ( 3.586 -6.548 7.122) 10.318 33.240 ( -0.138 9.670 -5.341) 11.047 33.468 ( -0.082 -10.561 -4.852) 11.622 33.606 ( -2.427 4.220 0.281) 4.876 33.709 ( -4.987 -4.932 -1.146) 7.107 34.420 ( 1.282 1.979 6.889) 7.281 34.452 ( 4.347 -1.138 7.138) 8.434 34.504 ( 5.457 -0.153 1.597) 5.688 34.536 ( -0.664 -2.205 -0.774) 2.429 34.876 ( 4.834 -0.234 -6.529) 8.127 34.902 ( 3.504 -2.576 -5.879) 7.312 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/34020 10.0 36.378 28.245 57.449 0.000 2.605 0.000 3/34020 20.0 8.902 5.794 10.146 0.000 0.629 0.000 3/34020 30.0 3.890 2.556 4.218 0.000 0.289 0.000 3/34020 40.0 2.287 1.555 2.462 0.000 0.176 0.000 3/34020 50.0 1.581 1.108 1.700 0.000 0.124 0.000 3/34020 60.0 1.201 0.863 1.293 0.000 0.096 0.000 3/34020 70.0 0.969 0.710 1.044 0.000 0.078 0.000 3/34020 80.0 0.814 0.606 0.878 0.000 0.065 0.000 3/34020 90.0 0.704 0.531 0.760 0.000 0.056 0.000 3/34020 100.0 0.621 0.473 0.671 0.000 0.049 0.000 3/34020 110.0 0.557 0.428 0.602 0.000 0.044 0.000 3/34020 120.0 0.506 0.391 0.547 0.000 0.039 0.000 3/34020 130.0 0.464 0.361 0.502 0.000 0.035 0.000 3/34020 140.0 0.428 0.335 0.465 0.000 0.032 0.000 3/34020 150.0 0.399 0.314 0.433 0.000 0.030 0.000 3/34020 160.0 0.373 0.295 0.406 0.000 0.027 0.000 3/34020 170.0 0.351 0.278 0.382 0.000 0.025 0.000 3/34020 180.0 0.332 0.264 0.361 0.000 0.024 0.000 3/34020 190.0 0.315 0.251 0.343 0.000 0.022 0.000 3/34020 200.0 0.300 0.239 0.327 0.000 0.021 0.000 3/34020 210.0 0.286 0.229 0.312 0.000 0.019 0.000 3/34020 220.0 0.274 0.220 0.299 0.000 0.018 0.000 3/34020 230.0 0.263 0.212 0.288 0.000 0.017 0.000 3/34020 240.0 0.253 0.204 0.277 0.000 0.016 0.000 3/34020 250.0 0.244 0.198 0.267 0.000 0.015 0.000 3/34020 260.0 0.236 0.191 0.258 0.000 0.015 0.000 3/34020 270.0 0.229 0.186 0.250 0.000 0.014 0.000 3/34020 280.0 0.222 0.180 0.243 0.000 0.013 0.000 3/34020 290.0 0.215 0.176 0.236 0.000 0.012 0.000 3/34020 300.0 0.209 0.171 0.230 0.000 0.012 0.000 3/34020 310.0 0.204 0.167 0.224 0.000 0.011 0.000 3/34020 320.0 0.199 0.163 0.218 0.000 0.011 0.000 3/34020 330.0 0.194 0.160 0.213 0.000 0.010 0.000 3/34020 340.0 0.189 0.156 0.208 0.000 0.010 0.000 3/34020 350.0 0.185 0.153 0.204 0.000 0.009 0.000 3/34020 360.0 0.181 0.150 0.199 0.000 0.009 0.000 3/34020 370.0 0.177 0.147 0.195 0.000 0.009 0.000 3/34020 380.0 0.174 0.144 0.191 0.000 0.008 0.000 3/34020 390.0 0.170 0.142 0.188 0.000 0.008 0.000 3/34020 400.0 0.167 0.139 0.184 0.000 0.008 0.000 3/34020 410.0 0.164 0.137 0.181 0.000 0.007 0.000 3/34020 420.0 0.161 0.135 0.178 0.000 0.007 0.000 3/34020 430.0 0.158 0.133 0.174 0.000 0.007 0.000 3/34020 440.0 0.156 0.130 0.172 0.000 0.006 0.000 3/34020 450.0 0.153 0.128 0.169 0.000 0.006 0.000 3/34020 460.0 0.150 0.126 0.166 0.000 0.006 0.000 3/34020 470.0 0.148 0.125 0.163 0.000 0.006 0.000 3/34020 480.0 0.146 0.123 0.161 0.000 0.006 0.000 3/34020 490.0 0.143 0.121 0.158 0.000 0.005 0.000 3/34020 500.0 0.141 0.119 0.156 0.000 0.005 0.000 3/34020 510.0 0.139 0.118 0.154 0.000 0.005 0.000 3/34020 520.0 0.137 0.116 0.152 0.000 0.005 0.000 3/34020 530.0 0.135 0.115 0.149 0.000 0.005 0.000 3/34020 540.0 0.133 0.113 0.147 0.000 0.005 0.000 3/34020 550.0 0.131 0.112 0.145 0.000 0.004 0.000 3/34020 560.0 0.130 0.110 0.143 0.000 0.004 0.000 3/34020 570.0 0.128 0.109 0.141 0.000 0.004 0.000 3/34020 580.0 0.126 0.107 0.139 0.000 0.004 0.000 3/34020 590.0 0.124 0.106 0.138 0.000 0.004 0.000 3/34020 600.0 0.123 0.105 0.136 0.000 0.004 0.000 3/34020 610.0 0.121 0.104 0.134 0.000 0.004 0.000 3/34020 620.0 0.120 0.102 0.132 0.000 0.004 0.000 3/34020 630.0 0.118 0.101 0.131 0.000 0.003 0.000 3/34020 640.0 0.117 0.100 0.129 0.000 0.003 0.000 3/34020 650.0 0.115 0.099 0.128 0.000 0.003 0.000 3/34020 660.0 0.114 0.098 0.126 0.000 0.003 0.000 3/34020 670.0 0.113 0.097 0.125 0.000 0.003 0.000 3/34020 680.0 0.111 0.095 0.123 0.000 0.003 0.000 3/34020 690.0 0.110 0.094 0.122 0.000 0.003 0.000 3/34020 700.0 0.109 0.093 0.120 0.000 0.003 0.000 3/34020 710.0 0.107 0.092 0.119 0.000 0.003 0.000 3/34020 720.0 0.106 0.091 0.118 0.000 0.003 0.000 3/34020 730.0 0.105 0.090 0.116 0.000 0.003 0.000 3/34020 740.0 0.104 0.089 0.115 0.000 0.003 0.000 3/34020 750.0 0.103 0.088 0.114 0.000 0.003 0.000 3/34020 760.0 0.102 0.088 0.113 0.000 0.003 0.000 3/34020 770.0 0.101 0.087 0.111 0.000 0.003 0.000 3/34020 780.0 0.099 0.086 0.110 0.000 0.002 0.000 3/34020 790.0 0.098 0.085 0.109 0.000 0.002 0.000 3/34020 800.0 0.097 0.084 0.108 0.000 0.002 0.000 3/34020 810.0 0.096 0.083 0.107 0.000 0.002 0.000 3/34020 820.0 0.095 0.082 0.106 0.000 0.002 0.000 3/34020 830.0 0.094 0.082 0.105 0.000 0.002 0.000 3/34020 840.0 0.094 0.081 0.104 0.000 0.002 0.000 3/34020 850.0 0.093 0.080 0.103 0.000 0.002 0.000 3/34020 860.0 0.092 0.079 0.102 0.000 0.002 0.000 3/34020 870.0 0.091 0.079 0.101 0.000 0.002 0.000 3/34020 880.0 0.090 0.078 0.100 0.000 0.002 0.000 3/34020 890.0 0.089 0.077 0.099 0.000 0.002 0.000 3/34020 900.0 0.088 0.076 0.098 0.000 0.002 0.000 3/34020 910.0 0.087 0.076 0.097 0.000 0.002 0.000 3/34020 920.0 0.087 0.075 0.096 0.000 0.002 0.000 3/34020 930.0 0.086 0.074 0.095 0.000 0.002 0.000 3/34020 940.0 0.085 0.074 0.094 0.000 0.002 0.000 3/34020 950.0 0.084 0.073 0.093 0.000 0.002 0.000 3/34020 960.0 0.083 0.072 0.092 0.000 0.002 0.000 3/34020 970.0 0.083 0.072 0.092 0.000 0.002 0.000 3/34020 980.0 0.082 0.071 0.091 0.000 0.002 0.000 3/34020 990.0 0.081 0.070 0.090 0.000 0.002 0.000 3/34020 1000.0 0.080 0.070 0.089 0.000 0.002 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m657.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:00:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|