----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:27:48]------------------------- 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: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.904004820039182 0.000000000000000 0.000000000000000 b 0.000000000000000 5.009037929999999 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): *1 Rb 0.00000000000000 0.73256321489565 0.75000000000000 85.468 2 Rb 0.00000000000000 0.26743678510435 0.25000000000000 85.468 *3 Zn 0.51419319503516 0.64618205394140 0.87587159676712 65.380 4 Zn 0.48580680496484 0.64618205394140 0.62412840323288 65.380 5 Zn 0.48580680496484 0.35381794605860 0.12412840323288 65.380 6 Zn 0.51419319503516 0.35381794605860 0.37587159676712 65.380 *7 Zn 0.78966836866211 0.16285578564742 0.94040810064192 65.380 8 Zn 0.21033163133789 0.16285578564742 0.55959189935808 65.380 9 Zn 0.21033163133789 0.83714421435258 0.05959189935808 65.380 10 Zn 0.78966836866211 0.83714421435258 0.44040810064192 65.380 *11 B 0.50000000000000 0.14988254285052 0.75000000000000 10.811 12 B 0.50000000000000 0.85011745714948 0.25000000000000 10.811 *13 B 0.81286339181118 0.35205264714751 0.54670209103300 10.811 14 B 0.18713660818882 0.35205264714751 0.95329790896700 10.811 15 B 0.18713660818882 0.64794735285250 0.45329790896700 10.811 16 B 0.81286339181118 0.64794735285250 0.04670209103300 10.811 *17 O 0.50000000000000 0.87281398886225 0.75000000000000 15.999 18 O 0.50000000000000 0.12718601113775 0.25000000000000 15.999 *19 O 0.72719593851679 0.79320825619584 0.96297350942782 15.999 20 O 0.27280406148321 0.79320825619584 0.53702649057218 15.999 21 O 0.27280406148321 0.20679174380416 0.03702649057218 15.999 22 O 0.72719593851679 0.20679174380416 0.46297350942782 15.999 *23 O 0.59145534136055 0.28735689188245 0.83235575863528 15.999 24 O 0.40854465863945 0.28735689188245 0.66764424136472 15.999 25 O 0.40854465863945 0.71264310811756 0.16764424136472 15.999 26 O 0.59145534136055 0.71264310811756 0.33235575863528 15.999 *27 O 0.73620453758403 0.60906174045989 0.56343830350829 15.999 28 O 0.26379546241597 0.60906174045989 0.93656169649171 15.999 29 O 0.26379546241597 0.39093825954011 0.43656169649171 15.999 30 O 0.73620453758403 0.39093825954011 0.06343830350829 15.999 *31 O 0.96306822770649 0.25778991046839 0.60799421204736 15.999 32 O 0.03693177229351 0.25778991046839 0.89200578795264 15.999 33 O 0.03693177229351 0.74221008953161 0.39200578795264 15.999 34 O 0.96306822770649 0.74221008953161 0.10799421204736 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.904004820039182 0.000000000000000 0.000000000000000 b 0.000000000000000 5.009037929999999 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): *1 Rb 0.00000000000000 0.73256321489565 0.75000000000000 85.468 > 1 2 Rb 0.00000000000000 0.26743678510435 0.25000000000000 85.468 > 2 *3 Zn 0.51419319503516 0.64618205394140 0.87587159676712 65.380 > 3 4 Zn 0.48580680496484 0.64618205394140 0.62412840323288 65.380 > 4 5 Zn 0.48580680496484 0.35381794605860 0.12412840323288 65.380 > 5 6 Zn 0.51419319503516 0.35381794605860 0.37587159676712 65.380 > 6 *7 Zn 0.78966836866211 0.16285578564742 0.94040810064192 65.380 > 7 8 Zn 0.21033163133789 0.16285578564742 0.55959189935808 65.380 > 8 9 Zn 0.21033163133789 0.83714421435258 0.05959189935808 65.380 > 9 10 Zn 0.78966836866211 0.83714421435258 0.44040810064192 65.380 > 10 *11 B 0.50000000000000 0.14988254285052 0.75000000000000 10.811 > 11 12 B 0.50000000000000 0.85011745714948 0.25000000000000 10.811 > 12 *13 B 0.81286339181118 0.35205264714751 0.54670209103300 10.811 > 13 14 B 0.18713660818882 0.35205264714751 0.95329790896700 10.811 > 14 15 B 0.18713660818882 0.64794735285250 0.45329790896700 10.811 > 15 16 B 0.81286339181118 0.64794735285250 0.04670209103300 10.811 > 16 *17 O 0.50000000000000 0.87281398886225 0.75000000000000 15.999 > 17 18 O 0.50000000000000 0.12718601113775 0.25000000000000 15.999 > 18 *19 O 0.72719593851679 0.79320825619584 0.96297350942782 15.999 > 19 20 O 0.27280406148321 0.79320825619584 0.53702649057218 15.999 > 20 21 O 0.27280406148321 0.20679174380416 0.03702649057218 15.999 > 21 22 O 0.72719593851679 0.20679174380416 0.46297350942782 15.999 > 22 *23 O 0.59145534136055 0.28735689188245 0.83235575863528 15.999 > 23 24 O 0.40854465863945 0.28735689188245 0.66764424136472 15.999 > 24 25 O 0.40854465863945 0.71264310811756 0.16764424136472 15.999 > 25 26 O 0.59145534136055 0.71264310811756 0.33235575863528 15.999 > 26 *27 O 0.73620453758403 0.60906174045989 0.56343830350829 15.999 > 27 28 O 0.26379546241597 0.60906174045989 0.93656169649171 15.999 > 28 29 O 0.26379546241597 0.39093825954011 0.43656169649171 15.999 > 29 30 O 0.73620453758403 0.39093825954011 0.06343830350829 15.999 > 30 *31 O 0.96306822770649 0.25778991046839 0.60799421204736 15.999 > 31 32 O 0.03693177229351 0.25778991046839 0.89200578795264 15.999 > 32 33 O 0.03693177229351 0.74221008953161 0.39200578795264 15.999 > 33 34 O 0.96306822770649 0.74221008953161 0.10799421204736 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.808009640078364 0.000000000000000 0.000000000000000 b 0.000000000000000 10.018075859999998 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): *1 Rb 0.00000000000000 0.36628160744782 0.75000000000000 85.468 > 1 2 Rb 0.50000000000000 0.36628160744782 0.75000000000000 85.468 > 1 3 Rb 0.00000000000000 0.86628160744782 0.75000000000000 85.468 > 1 4 Rb 0.50000000000000 0.86628160744782 0.75000000000000 85.468 > 1 5 Rb 0.00000000000000 0.13371839255218 0.25000000000000 85.468 > 2 6 Rb 0.50000000000000 0.13371839255218 0.25000000000000 85.468 > 2 7 Rb 0.00000000000000 0.63371839255218 0.25000000000000 85.468 > 2 8 Rb 0.50000000000000 0.63371839255218 0.25000000000000 85.468 > 2 *9 Zn 0.25709659751758 0.32309102697070 0.87587159676712 65.380 > 3 10 Zn 0.75709659751758 0.32309102697070 0.87587159676712 65.380 > 3 11 Zn 0.25709659751758 0.82309102697070 0.87587159676712 65.380 > 3 12 Zn 0.75709659751758 0.82309102697070 0.87587159676712 65.380 > 3 13 Zn 0.24290340248242 0.32309102697070 0.62412840323288 65.380 > 4 14 Zn 0.74290340248242 0.32309102697070 0.62412840323288 65.380 > 4 15 Zn 0.24290340248242 0.82309102697070 0.62412840323288 65.380 > 4 16 Zn 0.74290340248242 0.82309102697070 0.62412840323288 65.380 > 4 17 Zn 0.24290340248242 0.17690897302930 0.12412840323288 65.380 > 5 18 Zn 0.74290340248242 0.17690897302930 0.12412840323288 65.380 > 5 19 Zn 0.24290340248242 0.67690897302930 0.12412840323288 65.380 > 5 20 Zn 0.74290340248242 0.67690897302930 0.12412840323288 65.380 > 5 21 Zn 0.25709659751758 0.17690897302930 0.37587159676712 65.380 > 6 22 Zn 0.75709659751758 0.17690897302930 0.37587159676712 65.380 > 6 23 Zn 0.25709659751758 0.67690897302930 0.37587159676712 65.380 > 6 24 Zn 0.75709659751758 0.67690897302930 0.37587159676712 65.380 > 6 *25 Zn 0.39483418433106 0.08142789282371 0.94040810064192 65.380 > 7 26 Zn 0.89483418433106 0.08142789282371 0.94040810064192 65.380 > 7 27 Zn 0.39483418433106 0.58142789282371 0.94040810064192 65.380 > 7 28 Zn 0.89483418433106 0.58142789282371 0.94040810064192 65.380 > 7 29 Zn 0.10516581566894 0.08142789282371 0.55959189935808 65.380 > 8 30 Zn 0.60516581566894 0.08142789282371 0.55959189935808 65.380 > 8 31 Zn 0.10516581566894 0.58142789282371 0.55959189935808 65.380 > 8 32 Zn 0.60516581566894 0.58142789282371 0.55959189935808 65.380 > 8 33 Zn 0.10516581566894 0.41857210717629 0.05959189935808 65.380 > 9 34 Zn 0.60516581566894 0.41857210717629 0.05959189935808 65.380 > 9 35 Zn 0.10516581566894 0.91857210717629 0.05959189935808 65.380 > 9 36 Zn 0.60516581566894 0.91857210717629 0.05959189935808 65.380 > 9 37 Zn 0.39483418433106 0.41857210717629 0.44040810064192 65.380 > 10 38 Zn 0.89483418433106 0.41857210717629 0.44040810064192 65.380 > 10 39 Zn 0.39483418433106 0.91857210717629 0.44040810064192 65.380 > 10 40 Zn 0.89483418433106 0.91857210717629 0.44040810064192 65.380 > 10 *41 B 0.25000000000000 0.07494127142526 0.75000000000000 10.811 > 11 42 B 0.75000000000000 0.07494127142526 0.75000000000000 10.811 > 11 43 B 0.25000000000000 0.57494127142526 0.75000000000000 10.811 > 11 44 B 0.75000000000000 0.57494127142526 0.75000000000000 10.811 > 11 45 B 0.25000000000000 0.42505872857474 0.25000000000000 10.811 > 12 46 B 0.75000000000000 0.42505872857474 0.25000000000000 10.811 > 12 47 B 0.25000000000000 0.92505872857474 0.25000000000000 10.811 > 12 48 B 0.75000000000000 0.92505872857474 0.25000000000000 10.811 > 12 *49 B 0.40643169590559 0.17602632357375 0.54670209103300 10.811 > 13 50 B 0.90643169590559 0.17602632357375 0.54670209103300 10.811 > 13 51 B 0.40643169590559 0.67602632357375 0.54670209103300 10.811 > 13 52 B 0.90643169590559 0.67602632357375 0.54670209103300 10.811 > 13 53 B 0.09356830409441 0.17602632357375 0.95329790896700 10.811 > 14 54 B 0.59356830409441 0.17602632357375 0.95329790896700 10.811 > 14 55 B 0.09356830409441 0.67602632357375 0.95329790896700 10.811 > 14 56 B 0.59356830409441 0.67602632357375 0.95329790896700 10.811 > 14 57 B 0.09356830409441 0.32397367642625 0.45329790896700 10.811 > 15 58 B 0.59356830409441 0.32397367642625 0.45329790896700 10.811 > 15 59 B 0.09356830409441 0.82397367642625 0.45329790896700 10.811 > 15 60 B 0.59356830409441 0.82397367642625 0.45329790896700 10.811 > 15 61 B 0.40643169590559 0.32397367642625 0.04670209103300 10.811 > 16 62 B 0.90643169590559 0.32397367642625 0.04670209103300 10.811 > 16 63 B 0.40643169590559 0.82397367642625 0.04670209103300 10.811 > 16 64 B 0.90643169590559 0.82397367642625 0.04670209103300 10.811 > 16 *65 O 0.25000000000000 0.43640699443113 0.75000000000000 15.999 > 17 66 O 0.75000000000000 0.43640699443113 0.75000000000000 15.999 > 17 67 O 0.25000000000000 0.93640699443113 0.75000000000000 15.999 > 17 68 O 0.75000000000000 0.93640699443113 0.75000000000000 15.999 > 17 69 O 0.25000000000000 0.06359300556887 0.25000000000000 15.999 > 18 70 O 0.75000000000000 0.06359300556887 0.25000000000000 15.999 > 18 71 O 0.25000000000000 0.56359300556887 0.25000000000000 15.999 > 18 72 O 0.75000000000000 0.56359300556887 0.25000000000000 15.999 > 18 *73 O 0.36359796925839 0.39660412809792 0.96297350942782 15.999 > 19 74 O 0.86359796925839 0.39660412809792 0.96297350942782 15.999 > 19 75 O 0.36359796925839 0.89660412809792 0.96297350942782 15.999 > 19 76 O 0.86359796925839 0.89660412809792 0.96297350942782 15.999 > 19 77 O 0.13640203074161 0.39660412809792 0.53702649057218 15.999 > 20 78 O 0.63640203074161 0.39660412809792 0.53702649057218 15.999 > 20 79 O 0.13640203074161 0.89660412809792 0.53702649057218 15.999 > 20 80 O 0.63640203074161 0.89660412809792 0.53702649057218 15.999 > 20 81 O 0.13640203074161 0.10339587190208 0.03702649057218 15.999 > 21 82 O 0.63640203074161 0.10339587190208 0.03702649057218 15.999 > 21 83 O 0.13640203074161 0.60339587190208 0.03702649057218 15.999 > 21 84 O 0.63640203074161 0.60339587190208 0.03702649057218 15.999 > 21 85 O 0.36359796925839 0.10339587190208 0.46297350942782 15.999 > 22 86 O 0.86359796925839 0.10339587190208 0.46297350942782 15.999 > 22 87 O 0.36359796925839 0.60339587190208 0.46297350942782 15.999 > 22 88 O 0.86359796925839 0.60339587190208 0.46297350942782 15.999 > 22 *89 O 0.29572767068028 0.14367844594122 0.83235575863528 15.999 > 23 90 O 0.79572767068028 0.14367844594122 0.83235575863528 15.999 > 23 91 O 0.29572767068028 0.64367844594122 0.83235575863528 15.999 > 23 92 O 0.79572767068028 0.64367844594122 0.83235575863528 15.999 > 23 93 O 0.20427232931972 0.14367844594122 0.66764424136472 15.999 > 24 94 O 0.70427232931972 0.14367844594122 0.66764424136472 15.999 > 24 95 O 0.20427232931972 0.64367844594122 0.66764424136472 15.999 > 24 96 O 0.70427232931972 0.64367844594122 0.66764424136472 15.999 > 24 97 O 0.20427232931972 0.35632155405878 0.16764424136472 15.999 > 25 98 O 0.70427232931972 0.35632155405878 0.16764424136472 15.999 > 25 99 O 0.20427232931972 0.85632155405878 0.16764424136472 15.999 > 25 100 O 0.70427232931972 0.85632155405878 0.16764424136472 15.999 > 25 101 O 0.29572767068028 0.35632155405878 0.33235575863528 15.999 > 26 102 O 0.79572767068028 0.35632155405878 0.33235575863528 15.999 > 26 103 O 0.29572767068028 0.85632155405878 0.33235575863528 15.999 > 26 104 O 0.79572767068028 0.85632155405878 0.33235575863528 15.999 > 26 *105 O 0.36810226879202 0.30453087022994 0.56343830350829 15.999 > 27 106 O 0.86810226879202 0.30453087022994 0.56343830350829 15.999 > 27 107 O 0.36810226879202 0.80453087022994 0.56343830350829 15.999 > 27 108 O 0.86810226879202 0.80453087022994 0.56343830350829 15.999 > 27 109 O 0.13189773120799 0.30453087022994 0.93656169649171 15.999 > 28 110 O 0.63189773120798 0.30453087022994 0.93656169649171 15.999 > 28 111 O 0.13189773120799 0.80453087022994 0.93656169649171 15.999 > 28 112 O 0.63189773120798 0.80453087022994 0.93656169649171 15.999 > 28 113 O 0.13189773120799 0.19546912977006 0.43656169649171 15.999 > 29 114 O 0.63189773120798 0.19546912977006 0.43656169649171 15.999 > 29 115 O 0.13189773120799 0.69546912977006 0.43656169649171 15.999 > 29 116 O 0.63189773120798 0.69546912977006 0.43656169649171 15.999 > 29 117 O 0.36810226879202 0.19546912977006 0.06343830350829 15.999 > 30 118 O 0.86810226879202 0.19546912977006 0.06343830350829 15.999 > 30 119 O 0.36810226879202 0.69546912977006 0.06343830350829 15.999 > 30 120 O 0.86810226879202 0.69546912977006 0.06343830350829 15.999 > 30 *121 O 0.48153411385325 0.12889495523420 0.60799421204736 15.999 > 31 122 O 0.98153411385324 0.12889495523420 0.60799421204736 15.999 > 31 123 O 0.48153411385325 0.62889495523420 0.60799421204736 15.999 > 31 124 O 0.98153411385324 0.62889495523420 0.60799421204736 15.999 > 31 125 O 0.01846588614676 0.12889495523420 0.89200578795264 15.999 > 32 126 O 0.51846588614676 0.12889495523420 0.89200578795264 15.999 > 32 127 O 0.01846588614676 0.62889495523420 0.89200578795264 15.999 > 32 128 O 0.51846588614676 0.62889495523420 0.89200578795264 15.999 > 32 129 O 0.01846588614676 0.37110504476580 0.39200578795264 15.999 > 33 130 O 0.51846588614676 0.37110504476580 0.39200578795264 15.999 > 33 131 O 0.01846588614676 0.87110504476580 0.39200578795264 15.999 > 33 132 O 0.51846588614676 0.87110504476580 0.39200578795264 15.999 > 33 133 O 0.48153411385325 0.37110504476580 0.10799421204736 15.999 > 34 134 O 0.98153411385324 0.37110504476580 0.10799421204736 15.999 > 34 135 O 0.48153411385325 0.87110504476580 0.10799421204736 15.999 > 34 136 O 0.98153411385324 0.87110504476580 0.10799421204736 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9154603 0.0000000 0.1612476 0.0000000 3.0707268 0.0000000 0.1612475 0.0000000 2.8843237 -------------------------- Born effective charges -------------------------- 1 Rb 1.1517049 0.0000000 0.0849049 0.0000000 1.2542515 0.0000000 0.1025654 0.0000000 1.4448887 2 Rb 1.1517049 0.0000000 0.0849049 0.0000000 1.2542515 0.0000000 0.1025654 0.0000000 1.4448887 3 Zn 2.0337088 0.1141221 0.0250049 0.1427706 2.0434573 -0.0865631 -0.1209891 -0.0829737 2.0635847 4 Zn 2.0337088 -0.1141221 0.0250049 -0.1427706 2.0434573 0.0865631 -0.1209891 0.0829737 2.0635847 5 Zn 2.0337088 0.1141221 0.0250049 0.1427706 2.0434573 -0.0865631 -0.1209891 -0.0829737 2.0635847 6 Zn 2.0337088 -0.1141221 0.0250049 -0.1427706 2.0434573 0.0865631 -0.1209891 0.0829737 2.0635847 7 Zn 2.1287752 0.0404849 0.0331343 0.0626016 2.1809758 0.0644446 0.2418777 0.0107024 1.7556457 8 Zn 2.1287752 -0.0404849 0.0331343 -0.0626016 2.1809758 -0.0644446 0.2418777 -0.0107024 1.7556457 9 Zn 2.1287752 0.0404849 0.0331343 0.0626016 2.1809758 0.0644446 0.2418777 0.0107024 1.7556457 10 Zn 2.1287752 -0.0404849 0.0331343 -0.0626016 2.1809758 -0.0644446 0.2418777 -0.0107024 1.7556457 11 B 0.9096914 0.0000000 0.8669404 0.0000000 2.9791825 0.0000000 1.0460283 0.0000000 2.4358864 12 B 0.9096914 0.0000000 0.8669404 0.0000000 2.9791825 0.0000000 1.0460283 0.0000000 2.4358864 13 B 1.9641150 -0.7418877 1.1687514 -0.4934600 2.2581302 0.5112753 0.8064939 0.5226580 1.6436714 14 B 1.9641150 0.7418877 1.1687514 0.4934600 2.2581302 -0.5112753 0.8064939 -0.5226580 1.6436714 15 B 1.9641150 -0.7418877 1.1687514 -0.4934600 2.2581302 0.5112753 0.8064939 0.5226580 1.6436714 16 B 1.9641150 0.7418877 1.1687514 0.4934600 2.2581302 -0.5112753 0.8064939 -0.5226580 1.6436714 17 O -0.8835486 0.0000000 -0.1576249 0.0000000 -2.7730267 0.0000000 -0.0960143 0.0000000 -1.6809513 18 O -0.8835486 0.0000000 -0.1576249 0.0000000 -2.7730267 0.0000000 -0.0960143 0.0000000 -1.6809513 19 O -1.4598265 -0.0216981 -0.6686167 -0.0670850 -1.8854459 0.4979163 -0.5600336 0.4732046 -1.6851814 20 O -1.4598265 0.0216981 -0.6686167 0.0670850 -1.8854459 -0.4979163 -0.5600336 -0.4732046 -1.6851814 21 O -1.4598265 -0.0216981 -0.6686167 -0.0670850 -1.8854459 0.4979163 -0.5600336 0.4732046 -1.6851814 22 O -1.4598265 0.0216981 -0.6686167 0.0670850 -1.8854459 -0.4979163 -0.5600336 -0.4732046 -1.6851814 23 O -1.3297253 -0.0360762 -0.6293130 -0.0812466 -1.8522541 -0.5299654 -0.7056337 -0.5496729 -2.1195941 24 O -1.3297253 0.0360762 -0.6293130 0.0812466 -1.8522541 0.5299654 -0.7056337 0.5496729 -2.1195941 25 O -1.3297253 -0.0360762 -0.6293130 -0.0812466 -1.8522541 -0.5299654 -0.7056337 -0.5496729 -2.1195941 26 O -1.3297253 0.0360762 -0.6293130 0.0812466 -1.8522541 0.5299654 -0.7056337 0.5496729 -2.1195941 27 O -1.6877589 0.5237917 0.2285972 0.3635744 -2.1157831 -0.0222304 0.2480567 -0.0676014 -1.3950852 28 O -1.6877589 -0.5237917 0.2285972 -0.3635744 -2.1157831 0.0222304 0.2480567 0.0676014 -1.3950852 29 O -1.6877589 0.5237917 0.2285972 0.3635744 -2.1157831 -0.0222304 0.2480567 -0.0676014 -1.3950852 30 O -1.6877589 -0.5237917 0.2285972 -0.3635744 -2.1157831 0.0222304 0.2480567 0.0676014 -1.3950852 31 O -2.2382123 0.5251594 -0.5546682 0.4097523 -1.3592839 0.1246391 -0.4360616 0.0747651 -1.3629531 32 O -2.2382123 -0.5251594 -0.5546682 -0.4097523 -1.3592839 -0.1246391 -0.4360616 -0.0747651 -1.3629531 33 O -2.2382123 0.5251594 -0.5546682 0.4097523 -1.3592839 0.1246391 -0.4360616 0.0747651 -1.3629531 34 O -2.2382123 -0.5251594 -0.5546682 -0.4097523 -1.3592839 -0.1246391 -0.4360616 -0.0747651 -1.3629531 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5416 Number of blocks in projector: 5416 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: 1176 Use submatrix version of eigh solver. (1) Block: 500 / 1176 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1176 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1176 / 1176 (1) 169 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1136 / 1136 (1) 122 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1136 / 1136 (1) 122 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 148 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 148 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 148 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5416, 5339), data: False |-- (656, 646), data: False |-- (656, 8), data: (656, 18) @ (18, 8) |-- (156, 148), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 8), data: (656, 18) @ (18, 8) |-- (156, 148), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 8), data: (656, 18) @ (18, 8) |-- (156, 148), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1136, 1122), data: False |-- (1136, 26), data: (1136, 40) @ (40, 26) |-- (136, 122), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1136, 1122), data: False |-- (1136, 26), data: (1136, 40) @ (40, 26) |-- (136, 122), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1176, 1157), data: False |-- (1176, 22), data: (1176, 41) @ (41, 22) |-- (176, 169), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 2.190 Solver_block: 200 / 1040 - Time: 2.003 Solver_block: 300 / 1040 - Time: 2.735 Solver_block: 400 / 1040 - Time: 2.879 Solver_block: 500 / 1040 - Time: 3.334 Solver_block: 600 / 1040 - Time: 1.617 Solver_block: 700 / 1040 - Time: 3.056 Solver_block: 800 / 1040 - Time: 3.046 Solver_block: 900 / 1040 - Time: 2.951 Solver_block: 1000 / 1040 - Time: 2.923 Solver_block: 1040 / 1040 - Time: 1.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.054 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5416 Number of blocks in projector: 5416 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: 1176 Use submatrix version of eigh solver. (1) Block: 500 / 1176 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1176 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1176 / 1176 (1) 169 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1136 / 1136 (1) 122 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1136 / 1136 (1) 122 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 148 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 148 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 656 / 656 (1) 148 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5416, 5339), data: False |-- (656, 646), data: False |-- (656, 8), data: (656, 18) @ (18, 8) |-- (156, 148), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 8), data: (656, 18) @ (18, 8) |-- (156, 148), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (656, 646), data: False |-- (656, 8), data: (656, 18) @ (18, 8) |-- (156, 148), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1136, 1122), data: False |-- (1136, 26), data: (1136, 40) @ (40, 26) |-- (136, 122), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1136, 1122), data: False |-- (1136, 26), data: (1136, 40) @ (40, 26) |-- (136, 122), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1176, 1157), data: False |-- (1176, 22), data: (1176, 41) @ (41, 22) |-- (176, 169), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:29:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:29:35]------------------------- 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): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.904004820039182 0.000000000000000 0.000000000000000 b 0.000000000000000 5.009037929999999 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): 1 Rb 0.00000000000000 0.73256321489565 0.75000000000000 85.468 2 Rb 0.00000000000000 0.26743678510435 0.25000000000000 85.468 3 Zn 0.51419319503516 0.64618205394140 0.87587159676712 65.380 4 Zn 0.48580680496484 0.64618205394140 0.62412840323288 65.380 5 Zn 0.48580680496484 0.35381794605860 0.12412840323288 65.380 6 Zn 0.51419319503516 0.35381794605860 0.37587159676712 65.380 7 Zn 0.78966836866211 0.16285578564742 0.94040810064192 65.380 8 Zn 0.21033163133789 0.16285578564742 0.55959189935808 65.380 9 Zn 0.21033163133789 0.83714421435258 0.05959189935808 65.380 10 Zn 0.78966836866211 0.83714421435258 0.44040810064192 65.380 11 B 0.50000000000000 0.14988254285052 0.75000000000000 10.811 12 B 0.50000000000000 0.85011745714948 0.25000000000000 10.811 13 B 0.81286339181118 0.35205264714751 0.54670209103300 10.811 14 B 0.18713660818882 0.35205264714751 0.95329790896700 10.811 15 B 0.18713660818882 0.64794735285250 0.45329790896700 10.811 16 B 0.81286339181118 0.64794735285250 0.04670209103300 10.811 17 O 0.50000000000000 0.87281398886225 0.75000000000000 15.999 18 O 0.50000000000000 0.12718601113775 0.25000000000000 15.999 19 O 0.72719593851679 0.79320825619584 0.96297350942782 15.999 20 O 0.27280406148321 0.79320825619584 0.53702649057218 15.999 21 O 0.27280406148321 0.20679174380416 0.03702649057218 15.999 22 O 0.72719593851679 0.20679174380416 0.46297350942782 15.999 23 O 0.59145534136055 0.28735689188245 0.83235575863528 15.999 24 O 0.40854465863945 0.28735689188245 0.66764424136472 15.999 25 O 0.40854465863945 0.71264310811756 0.16764424136472 15.999 26 O 0.59145534136055 0.71264310811756 0.33235575863528 15.999 27 O 0.73620453758403 0.60906174045989 0.56343830350829 15.999 28 O 0.26379546241597 0.60906174045989 0.93656169649171 15.999 29 O 0.26379546241597 0.39093825954011 0.43656169649171 15.999 30 O 0.73620453758403 0.39093825954011 0.06343830350829 15.999 31 O 0.96306822770649 0.25778991046839 0.60799421204736 15.999 32 O 0.03693177229351 0.25778991046839 0.89200578795264 15.999 33 O 0.03693177229351 0.74221008953161 0.39200578795264 15.999 34 O 0.96306822770649 0.74221008953161 0.10799421204736 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.808009640078364 0.000000000000000 0.000000000000000 b 0.000000000000000 10.018075859999998 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): 1 Rb 0.00000000000000 0.36628160744782 0.75000000000000 85.468 > 1 2 Rb 0.50000000000000 0.36628160744782 0.75000000000000 85.468 > 1 3 Rb 0.00000000000000 0.86628160744782 0.75000000000000 85.468 > 1 4 Rb 0.50000000000000 0.86628160744782 0.75000000000000 85.468 > 1 5 Rb 0.00000000000000 0.13371839255218 0.25000000000000 85.468 > 5 6 Rb 0.50000000000000 0.13371839255218 0.25000000000000 85.468 > 5 7 Rb 0.00000000000000 0.63371839255218 0.25000000000000 85.468 > 5 8 Rb 0.50000000000000 0.63371839255218 0.25000000000000 85.468 > 5 9 Zn 0.25709659751758 0.32309102697070 0.87587159676712 65.380 > 9 10 Zn 0.75709659751758 0.32309102697070 0.87587159676712 65.380 > 9 11 Zn 0.25709659751758 0.82309102697070 0.87587159676712 65.380 > 9 12 Zn 0.75709659751758 0.82309102697070 0.87587159676712 65.380 > 9 13 Zn 0.24290340248242 0.32309102697070 0.62412840323288 65.380 > 13 14 Zn 0.74290340248242 0.32309102697070 0.62412840323288 65.380 > 13 15 Zn 0.24290340248242 0.82309102697070 0.62412840323288 65.380 > 13 16 Zn 0.74290340248242 0.82309102697070 0.62412840323288 65.380 > 13 17 Zn 0.24290340248242 0.17690897302930 0.12412840323288 65.380 > 17 18 Zn 0.74290340248242 0.17690897302930 0.12412840323288 65.380 > 17 19 Zn 0.24290340248242 0.67690897302930 0.12412840323288 65.380 > 17 20 Zn 0.74290340248242 0.67690897302930 0.12412840323288 65.380 > 17 21 Zn 0.25709659751758 0.17690897302930 0.37587159676712 65.380 > 21 22 Zn 0.75709659751758 0.17690897302930 0.37587159676712 65.380 > 21 23 Zn 0.25709659751758 0.67690897302930 0.37587159676712 65.380 > 21 24 Zn 0.75709659751758 0.67690897302930 0.37587159676712 65.380 > 21 25 Zn 0.39483418433106 0.08142789282371 0.94040810064192 65.380 > 25 26 Zn 0.89483418433106 0.08142789282371 0.94040810064192 65.380 > 25 27 Zn 0.39483418433106 0.58142789282371 0.94040810064192 65.380 > 25 28 Zn 0.89483418433106 0.58142789282371 0.94040810064192 65.380 > 25 29 Zn 0.10516581566894 0.08142789282371 0.55959189935808 65.380 > 29 30 Zn 0.60516581566894 0.08142789282371 0.55959189935808 65.380 > 29 31 Zn 0.10516581566894 0.58142789282371 0.55959189935808 65.380 > 29 32 Zn 0.60516581566894 0.58142789282371 0.55959189935808 65.380 > 29 33 Zn 0.10516581566894 0.41857210717629 0.05959189935808 65.380 > 33 34 Zn 0.60516581566894 0.41857210717629 0.05959189935808 65.380 > 33 35 Zn 0.10516581566894 0.91857210717629 0.05959189935808 65.380 > 33 36 Zn 0.60516581566894 0.91857210717629 0.05959189935808 65.380 > 33 37 Zn 0.39483418433106 0.41857210717629 0.44040810064192 65.380 > 37 38 Zn 0.89483418433106 0.41857210717629 0.44040810064192 65.380 > 37 39 Zn 0.39483418433106 0.91857210717629 0.44040810064192 65.380 > 37 40 Zn 0.89483418433106 0.91857210717629 0.44040810064192 65.380 > 37 41 B 0.25000000000000 0.07494127142526 0.75000000000000 10.811 > 41 42 B 0.75000000000000 0.07494127142526 0.75000000000000 10.811 > 41 43 B 0.25000000000000 0.57494127142526 0.75000000000000 10.811 > 41 44 B 0.75000000000000 0.57494127142526 0.75000000000000 10.811 > 41 45 B 0.25000000000000 0.42505872857474 0.25000000000000 10.811 > 45 46 B 0.75000000000000 0.42505872857474 0.25000000000000 10.811 > 45 47 B 0.25000000000000 0.92505872857474 0.25000000000000 10.811 > 45 48 B 0.75000000000000 0.92505872857474 0.25000000000000 10.811 > 45 49 B 0.40643169590559 0.17602632357375 0.54670209103300 10.811 > 49 50 B 0.90643169590559 0.17602632357375 0.54670209103300 10.811 > 49 51 B 0.40643169590559 0.67602632357375 0.54670209103300 10.811 > 49 52 B 0.90643169590559 0.67602632357375 0.54670209103300 10.811 > 49 53 B 0.09356830409441 0.17602632357375 0.95329790896700 10.811 > 53 54 B 0.59356830409441 0.17602632357375 0.95329790896700 10.811 > 53 55 B 0.09356830409441 0.67602632357375 0.95329790896700 10.811 > 53 56 B 0.59356830409441 0.67602632357375 0.95329790896700 10.811 > 53 57 B 0.09356830409441 0.32397367642625 0.45329790896700 10.811 > 57 58 B 0.59356830409441 0.32397367642625 0.45329790896700 10.811 > 57 59 B 0.09356830409441 0.82397367642625 0.45329790896700 10.811 > 57 60 B 0.59356830409441 0.82397367642625 0.45329790896700 10.811 > 57 61 B 0.40643169590559 0.32397367642625 0.04670209103300 10.811 > 61 62 B 0.90643169590559 0.32397367642625 0.04670209103300 10.811 > 61 63 B 0.40643169590559 0.82397367642625 0.04670209103300 10.811 > 61 64 B 0.90643169590559 0.82397367642625 0.04670209103300 10.811 > 61 65 O 0.25000000000000 0.43640699443113 0.75000000000000 15.999 > 65 66 O 0.75000000000000 0.43640699443113 0.75000000000000 15.999 > 65 67 O 0.25000000000000 0.93640699443113 0.75000000000000 15.999 > 65 68 O 0.75000000000000 0.93640699443113 0.75000000000000 15.999 > 65 69 O 0.25000000000000 0.06359300556887 0.25000000000000 15.999 > 69 70 O 0.75000000000000 0.06359300556887 0.25000000000000 15.999 > 69 71 O 0.25000000000000 0.56359300556887 0.25000000000000 15.999 > 69 72 O 0.75000000000000 0.56359300556887 0.25000000000000 15.999 > 69 73 O 0.36359796925839 0.39660412809792 0.96297350942782 15.999 > 73 74 O 0.86359796925839 0.39660412809792 0.96297350942782 15.999 > 73 75 O 0.36359796925839 0.89660412809792 0.96297350942782 15.999 > 73 76 O 0.86359796925839 0.89660412809792 0.96297350942782 15.999 > 73 77 O 0.13640203074161 0.39660412809792 0.53702649057218 15.999 > 77 78 O 0.63640203074161 0.39660412809792 0.53702649057218 15.999 > 77 79 O 0.13640203074161 0.89660412809792 0.53702649057218 15.999 > 77 80 O 0.63640203074161 0.89660412809792 0.53702649057218 15.999 > 77 81 O 0.13640203074161 0.10339587190208 0.03702649057218 15.999 > 81 82 O 0.63640203074161 0.10339587190208 0.03702649057218 15.999 > 81 83 O 0.13640203074161 0.60339587190208 0.03702649057218 15.999 > 81 84 O 0.63640203074161 0.60339587190208 0.03702649057218 15.999 > 81 85 O 0.36359796925839 0.10339587190208 0.46297350942782 15.999 > 85 86 O 0.86359796925839 0.10339587190208 0.46297350942782 15.999 > 85 87 O 0.36359796925839 0.60339587190208 0.46297350942782 15.999 > 85 88 O 0.86359796925839 0.60339587190208 0.46297350942782 15.999 > 85 89 O 0.29572767068028 0.14367844594122 0.83235575863528 15.999 > 89 90 O 0.79572767068028 0.14367844594122 0.83235575863528 15.999 > 89 91 O 0.29572767068028 0.64367844594122 0.83235575863528 15.999 > 89 92 O 0.79572767068028 0.64367844594122 0.83235575863528 15.999 > 89 93 O 0.20427232931972 0.14367844594122 0.66764424136472 15.999 > 93 94 O 0.70427232931972 0.14367844594122 0.66764424136472 15.999 > 93 95 O 0.20427232931972 0.64367844594122 0.66764424136472 15.999 > 93 96 O 0.70427232931972 0.64367844594122 0.66764424136472 15.999 > 93 97 O 0.20427232931972 0.35632155405878 0.16764424136472 15.999 > 97 98 O 0.70427232931972 0.35632155405878 0.16764424136472 15.999 > 97 99 O 0.20427232931972 0.85632155405878 0.16764424136472 15.999 > 97 100 O 0.70427232931972 0.85632155405878 0.16764424136472 15.999 > 97 101 O 0.29572767068028 0.35632155405878 0.33235575863528 15.999 > 101 102 O 0.79572767068028 0.35632155405878 0.33235575863528 15.999 > 101 103 O 0.29572767068028 0.85632155405878 0.33235575863528 15.999 > 101 104 O 0.79572767068028 0.85632155405878 0.33235575863528 15.999 > 101 105 O 0.36810226879202 0.30453087022994 0.56343830350829 15.999 > 105 106 O 0.86810226879202 0.30453087022994 0.56343830350829 15.999 > 105 107 O 0.36810226879202 0.80453087022994 0.56343830350829 15.999 > 105 108 O 0.86810226879202 0.80453087022994 0.56343830350829 15.999 > 105 109 O 0.13189773120799 0.30453087022994 0.93656169649171 15.999 > 109 110 O 0.63189773120798 0.30453087022994 0.93656169649171 15.999 > 109 111 O 0.13189773120799 0.80453087022994 0.93656169649171 15.999 > 109 112 O 0.63189773120798 0.80453087022994 0.93656169649171 15.999 > 109 113 O 0.13189773120799 0.19546912977006 0.43656169649171 15.999 > 113 114 O 0.63189773120798 0.19546912977006 0.43656169649171 15.999 > 113 115 O 0.13189773120799 0.69546912977006 0.43656169649171 15.999 > 113 116 O 0.63189773120798 0.69546912977006 0.43656169649171 15.999 > 113 117 O 0.36810226879202 0.19546912977006 0.06343830350829 15.999 > 117 118 O 0.86810226879202 0.19546912977006 0.06343830350829 15.999 > 117 119 O 0.36810226879202 0.69546912977006 0.06343830350829 15.999 > 117 120 O 0.86810226879202 0.69546912977006 0.06343830350829 15.999 > 117 121 O 0.48153411385325 0.12889495523420 0.60799421204736 15.999 > 121 122 O 0.98153411385324 0.12889495523420 0.60799421204736 15.999 > 121 123 O 0.48153411385325 0.62889495523420 0.60799421204736 15.999 > 121 124 O 0.98153411385324 0.62889495523420 0.60799421204736 15.999 > 121 125 O 0.01846588614676 0.12889495523420 0.89200578795264 15.999 > 125 126 O 0.51846588614676 0.12889495523420 0.89200578795264 15.999 > 125 127 O 0.01846588614676 0.62889495523420 0.89200578795264 15.999 > 125 128 O 0.51846588614676 0.62889495523420 0.89200578795264 15.999 > 125 129 O 0.01846588614676 0.37110504476580 0.39200578795264 15.999 > 129 130 O 0.51846588614676 0.37110504476580 0.39200578795264 15.999 > 129 131 O 0.01846588614676 0.87110504476580 0.39200578795264 15.999 > 129 132 O 0.51846588614676 0.87110504476580 0.39200578795264 15.999 > 129 133 O 0.48153411385325 0.37110504476580 0.10799421204736 15.999 > 133 134 O 0.98153411385324 0.37110504476580 0.10799421204736 15.999 > 133 135 O 0.48153411385325 0.87110504476580 0.10799421204736 15.999 > 133 136 O 0.98153411385324 0.87110504476580 0.10799421204736 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9154603 0.0000000 0.1612476 0.0000000 3.0707268 0.0000000 0.1612475 0.0000000 2.8843237 -------------------------- Born effective charges -------------------------- 1 Rb 1.1517049 0.0000000 0.0849049 0.0000000 1.2542515 0.0000000 0.1025654 0.0000000 1.4448887 2 Rb 1.1517049 0.0000000 0.0849049 0.0000000 1.2542515 0.0000000 0.1025654 0.0000000 1.4448887 3 Zn 2.0337088 0.1141221 0.0250049 0.1427706 2.0434573 -0.0865631 -0.1209891 -0.0829737 2.0635847 4 Zn 2.0337088 -0.1141221 0.0250049 -0.1427706 2.0434573 0.0865631 -0.1209891 0.0829737 2.0635847 5 Zn 2.0337088 0.1141221 0.0250049 0.1427706 2.0434573 -0.0865631 -0.1209891 -0.0829737 2.0635847 6 Zn 2.0337088 -0.1141221 0.0250049 -0.1427706 2.0434573 0.0865631 -0.1209891 0.0829737 2.0635847 7 Zn 2.1287752 0.0404849 0.0331343 0.0626016 2.1809758 0.0644446 0.2418777 0.0107024 1.7556457 8 Zn 2.1287752 -0.0404849 0.0331343 -0.0626016 2.1809758 -0.0644446 0.2418777 -0.0107024 1.7556457 9 Zn 2.1287752 0.0404849 0.0331343 0.0626016 2.1809758 0.0644446 0.2418777 0.0107024 1.7556457 10 Zn 2.1287752 -0.0404849 0.0331343 -0.0626016 2.1809758 -0.0644446 0.2418777 -0.0107024 1.7556457 11 B 0.9096914 0.0000000 0.8669404 0.0000000 2.9791825 0.0000000 1.0460283 0.0000000 2.4358864 12 B 0.9096914 0.0000000 0.8669404 0.0000000 2.9791825 0.0000000 1.0460283 0.0000000 2.4358864 13 B 1.9641150 -0.7418877 1.1687514 -0.4934600 2.2581302 0.5112753 0.8064939 0.5226580 1.6436714 14 B 1.9641150 0.7418877 1.1687514 0.4934600 2.2581302 -0.5112753 0.8064939 -0.5226580 1.6436714 15 B 1.9641150 -0.7418877 1.1687514 -0.4934600 2.2581302 0.5112753 0.8064939 0.5226580 1.6436714 16 B 1.9641150 0.7418877 1.1687514 0.4934600 2.2581302 -0.5112753 0.8064939 -0.5226580 1.6436714 17 O -0.8835486 0.0000000 -0.1576249 0.0000000 -2.7730267 0.0000000 -0.0960143 0.0000000 -1.6809513 18 O -0.8835486 0.0000000 -0.1576249 0.0000000 -2.7730267 0.0000000 -0.0960143 0.0000000 -1.6809513 19 O -1.4598265 -0.0216981 -0.6686167 -0.0670850 -1.8854459 0.4979163 -0.5600336 0.4732046 -1.6851814 20 O -1.4598265 0.0216981 -0.6686167 0.0670850 -1.8854459 -0.4979163 -0.5600336 -0.4732046 -1.6851814 21 O -1.4598265 -0.0216981 -0.6686167 -0.0670850 -1.8854459 0.4979163 -0.5600336 0.4732046 -1.6851814 22 O -1.4598265 0.0216981 -0.6686167 0.0670850 -1.8854459 -0.4979163 -0.5600336 -0.4732046 -1.6851814 23 O -1.3297253 -0.0360762 -0.6293130 -0.0812466 -1.8522541 -0.5299654 -0.7056337 -0.5496729 -2.1195941 24 O -1.3297253 0.0360762 -0.6293130 0.0812466 -1.8522541 0.5299654 -0.7056337 0.5496729 -2.1195941 25 O -1.3297253 -0.0360762 -0.6293130 -0.0812466 -1.8522541 -0.5299654 -0.7056337 -0.5496729 -2.1195941 26 O -1.3297253 0.0360762 -0.6293130 0.0812466 -1.8522541 0.5299654 -0.7056337 0.5496729 -2.1195941 27 O -1.6877589 0.5237917 0.2285972 0.3635744 -2.1157831 -0.0222304 0.2480567 -0.0676014 -1.3950852 28 O -1.6877589 -0.5237917 0.2285972 -0.3635744 -2.1157831 0.0222304 0.2480567 0.0676014 -1.3950852 29 O -1.6877589 0.5237917 0.2285972 0.3635744 -2.1157831 -0.0222304 0.2480567 -0.0676014 -1.3950852 30 O -1.6877589 -0.5237917 0.2285972 -0.3635744 -2.1157831 0.0222304 0.2480567 0.0676014 -1.3950852 31 O -2.2382123 0.5251594 -0.5546682 0.4097523 -1.3592839 0.1246391 -0.4360616 0.0747651 -1.3629531 32 O -2.2382123 -0.5251594 -0.5546682 -0.4097523 -1.3592839 -0.1246391 -0.4360616 -0.0747651 -1.3629531 33 O -2.2382123 0.5251594 -0.5546682 0.4097523 -1.3592839 0.1246391 -0.4360616 0.0747651 -1.3629531 34 O -2.2382123 -0.5251594 -0.5546682 -0.4097523 -1.3592839 -0.1246391 -0.4360616 -0.0747651 -1.3629531 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000012 (yyy) -0.00000012 (yyy) -0.00000012 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) 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 10:30:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:30:34]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.904004820039182 0.000000000000000 0.000000000000000 b 0.000000000000000 5.009037929999999 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): 1 Rb 0.00000000000000 0.73256321489565 0.75000000000000 85.468 2 Rb 0.00000000000000 0.26743678510435 0.25000000000000 85.468 3 Zn 0.51419319503516 0.64618205394140 0.87587159676712 65.380 4 Zn 0.48580680496484 0.64618205394140 0.62412840323288 65.380 5 Zn 0.48580680496484 0.35381794605860 0.12412840323288 65.380 6 Zn 0.51419319503516 0.35381794605860 0.37587159676712 65.380 7 Zn 0.78966836866211 0.16285578564742 0.94040810064192 65.380 8 Zn 0.21033163133789 0.16285578564742 0.55959189935808 65.380 9 Zn 0.21033163133789 0.83714421435258 0.05959189935808 65.380 10 Zn 0.78966836866211 0.83714421435258 0.44040810064192 65.380 11 B 0.50000000000000 0.14988254285052 0.75000000000000 10.811 12 B 0.50000000000000 0.85011745714948 0.25000000000000 10.811 13 B 0.81286339181118 0.35205264714751 0.54670209103300 10.811 14 B 0.18713660818882 0.35205264714751 0.95329790896700 10.811 15 B 0.18713660818882 0.64794735285250 0.45329790896700 10.811 16 B 0.81286339181118 0.64794735285250 0.04670209103300 10.811 17 O 0.50000000000000 0.87281398886225 0.75000000000000 15.999 18 O 0.50000000000000 0.12718601113775 0.25000000000000 15.999 19 O 0.72719593851679 0.79320825619584 0.96297350942782 15.999 20 O 0.27280406148321 0.79320825619584 0.53702649057218 15.999 21 O 0.27280406148321 0.20679174380416 0.03702649057218 15.999 22 O 0.72719593851679 0.20679174380416 0.46297350942782 15.999 23 O 0.59145534136055 0.28735689188245 0.83235575863528 15.999 24 O 0.40854465863945 0.28735689188245 0.66764424136472 15.999 25 O 0.40854465863945 0.71264310811756 0.16764424136472 15.999 26 O 0.59145534136055 0.71264310811756 0.33235575863528 15.999 27 O 0.73620453758403 0.60906174045989 0.56343830350829 15.999 28 O 0.26379546241597 0.60906174045989 0.93656169649171 15.999 29 O 0.26379546241597 0.39093825954011 0.43656169649171 15.999 30 O 0.73620453758403 0.39093825954011 0.06343830350829 15.999 31 O 0.96306822770649 0.25778991046839 0.60799421204736 15.999 32 O 0.03693177229351 0.25778991046839 0.89200578795264 15.999 33 O 0.03693177229351 0.74221008953161 0.39200578795264 15.999 34 O 0.96306822770649 0.74221008953161 0.10799421204736 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.808009640078364 0.000000000000000 0.000000000000000 b 0.000000000000000 10.018075859999998 0.000000000000000 c -0.653259954175468 0.000000000000000 12.687272909200640 Atomic positions (fractional): 1 Rb 0.00000000000000 0.36628160744782 0.75000000000000 85.468 > 1 2 Rb 0.50000000000000 0.36628160744782 0.75000000000000 85.468 > 1 3 Rb 0.00000000000000 0.86628160744782 0.75000000000000 85.468 > 1 4 Rb 0.50000000000000 0.86628160744782 0.75000000000000 85.468 > 1 5 Rb 0.00000000000000 0.13371839255218 0.25000000000000 85.468 > 5 6 Rb 0.50000000000000 0.13371839255218 0.25000000000000 85.468 > 5 7 Rb 0.00000000000000 0.63371839255218 0.25000000000000 85.468 > 5 8 Rb 0.50000000000000 0.63371839255218 0.25000000000000 85.468 > 5 9 Zn 0.25709659751758 0.32309102697070 0.87587159676712 65.380 > 9 10 Zn 0.75709659751758 0.32309102697070 0.87587159676712 65.380 > 9 11 Zn 0.25709659751758 0.82309102697070 0.87587159676712 65.380 > 9 12 Zn 0.75709659751758 0.82309102697070 0.87587159676712 65.380 > 9 13 Zn 0.24290340248242 0.32309102697070 0.62412840323288 65.380 > 13 14 Zn 0.74290340248242 0.32309102697070 0.62412840323288 65.380 > 13 15 Zn 0.24290340248242 0.82309102697070 0.62412840323288 65.380 > 13 16 Zn 0.74290340248242 0.82309102697070 0.62412840323288 65.380 > 13 17 Zn 0.24290340248242 0.17690897302930 0.12412840323288 65.380 > 17 18 Zn 0.74290340248242 0.17690897302930 0.12412840323288 65.380 > 17 19 Zn 0.24290340248242 0.67690897302930 0.12412840323288 65.380 > 17 20 Zn 0.74290340248242 0.67690897302930 0.12412840323288 65.380 > 17 21 Zn 0.25709659751758 0.17690897302930 0.37587159676712 65.380 > 21 22 Zn 0.75709659751758 0.17690897302930 0.37587159676712 65.380 > 21 23 Zn 0.25709659751758 0.67690897302930 0.37587159676712 65.380 > 21 24 Zn 0.75709659751758 0.67690897302930 0.37587159676712 65.380 > 21 25 Zn 0.39483418433106 0.08142789282371 0.94040810064192 65.380 > 25 26 Zn 0.89483418433106 0.08142789282371 0.94040810064192 65.380 > 25 27 Zn 0.39483418433106 0.58142789282371 0.94040810064192 65.380 > 25 28 Zn 0.89483418433106 0.58142789282371 0.94040810064192 65.380 > 25 29 Zn 0.10516581566894 0.08142789282371 0.55959189935808 65.380 > 29 30 Zn 0.60516581566894 0.08142789282371 0.55959189935808 65.380 > 29 31 Zn 0.10516581566894 0.58142789282371 0.55959189935808 65.380 > 29 32 Zn 0.60516581566894 0.58142789282371 0.55959189935808 65.380 > 29 33 Zn 0.10516581566894 0.41857210717629 0.05959189935808 65.380 > 33 34 Zn 0.60516581566894 0.41857210717629 0.05959189935808 65.380 > 33 35 Zn 0.10516581566894 0.91857210717629 0.05959189935808 65.380 > 33 36 Zn 0.60516581566894 0.91857210717629 0.05959189935808 65.380 > 33 37 Zn 0.39483418433106 0.41857210717629 0.44040810064192 65.380 > 37 38 Zn 0.89483418433106 0.41857210717629 0.44040810064192 65.380 > 37 39 Zn 0.39483418433106 0.91857210717629 0.44040810064192 65.380 > 37 40 Zn 0.89483418433106 0.91857210717629 0.44040810064192 65.380 > 37 41 B 0.25000000000000 0.07494127142526 0.75000000000000 10.811 > 41 42 B 0.75000000000000 0.07494127142526 0.75000000000000 10.811 > 41 43 B 0.25000000000000 0.57494127142526 0.75000000000000 10.811 > 41 44 B 0.75000000000000 0.57494127142526 0.75000000000000 10.811 > 41 45 B 0.25000000000000 0.42505872857474 0.25000000000000 10.811 > 45 46 B 0.75000000000000 0.42505872857474 0.25000000000000 10.811 > 45 47 B 0.25000000000000 0.92505872857474 0.25000000000000 10.811 > 45 48 B 0.75000000000000 0.92505872857474 0.25000000000000 10.811 > 45 49 B 0.40643169590559 0.17602632357375 0.54670209103300 10.811 > 49 50 B 0.90643169590559 0.17602632357375 0.54670209103300 10.811 > 49 51 B 0.40643169590559 0.67602632357375 0.54670209103300 10.811 > 49 52 B 0.90643169590559 0.67602632357375 0.54670209103300 10.811 > 49 53 B 0.09356830409441 0.17602632357375 0.95329790896700 10.811 > 53 54 B 0.59356830409441 0.17602632357375 0.95329790896700 10.811 > 53 55 B 0.09356830409441 0.67602632357375 0.95329790896700 10.811 > 53 56 B 0.59356830409441 0.67602632357375 0.95329790896700 10.811 > 53 57 B 0.09356830409441 0.32397367642625 0.45329790896700 10.811 > 57 58 B 0.59356830409441 0.32397367642625 0.45329790896700 10.811 > 57 59 B 0.09356830409441 0.82397367642625 0.45329790896700 10.811 > 57 60 B 0.59356830409441 0.82397367642625 0.45329790896700 10.811 > 57 61 B 0.40643169590559 0.32397367642625 0.04670209103300 10.811 > 61 62 B 0.90643169590559 0.32397367642625 0.04670209103300 10.811 > 61 63 B 0.40643169590559 0.82397367642625 0.04670209103300 10.811 > 61 64 B 0.90643169590559 0.82397367642625 0.04670209103300 10.811 > 61 65 O 0.25000000000000 0.43640699443113 0.75000000000000 15.999 > 65 66 O 0.75000000000000 0.43640699443113 0.75000000000000 15.999 > 65 67 O 0.25000000000000 0.93640699443113 0.75000000000000 15.999 > 65 68 O 0.75000000000000 0.93640699443113 0.75000000000000 15.999 > 65 69 O 0.25000000000000 0.06359300556887 0.25000000000000 15.999 > 69 70 O 0.75000000000000 0.06359300556887 0.25000000000000 15.999 > 69 71 O 0.25000000000000 0.56359300556887 0.25000000000000 15.999 > 69 72 O 0.75000000000000 0.56359300556887 0.25000000000000 15.999 > 69 73 O 0.36359796925839 0.39660412809792 0.96297350942782 15.999 > 73 74 O 0.86359796925839 0.39660412809792 0.96297350942782 15.999 > 73 75 O 0.36359796925839 0.89660412809792 0.96297350942782 15.999 > 73 76 O 0.86359796925839 0.89660412809792 0.96297350942782 15.999 > 73 77 O 0.13640203074161 0.39660412809792 0.53702649057218 15.999 > 77 78 O 0.63640203074161 0.39660412809792 0.53702649057218 15.999 > 77 79 O 0.13640203074161 0.89660412809792 0.53702649057218 15.999 > 77 80 O 0.63640203074161 0.89660412809792 0.53702649057218 15.999 > 77 81 O 0.13640203074161 0.10339587190208 0.03702649057218 15.999 > 81 82 O 0.63640203074161 0.10339587190208 0.03702649057218 15.999 > 81 83 O 0.13640203074161 0.60339587190208 0.03702649057218 15.999 > 81 84 O 0.63640203074161 0.60339587190208 0.03702649057218 15.999 > 81 85 O 0.36359796925839 0.10339587190208 0.46297350942782 15.999 > 85 86 O 0.86359796925839 0.10339587190208 0.46297350942782 15.999 > 85 87 O 0.36359796925839 0.60339587190208 0.46297350942782 15.999 > 85 88 O 0.86359796925839 0.60339587190208 0.46297350942782 15.999 > 85 89 O 0.29572767068028 0.14367844594122 0.83235575863528 15.999 > 89 90 O 0.79572767068028 0.14367844594122 0.83235575863528 15.999 > 89 91 O 0.29572767068028 0.64367844594122 0.83235575863528 15.999 > 89 92 O 0.79572767068028 0.64367844594122 0.83235575863528 15.999 > 89 93 O 0.20427232931972 0.14367844594122 0.66764424136472 15.999 > 93 94 O 0.70427232931972 0.14367844594122 0.66764424136472 15.999 > 93 95 O 0.20427232931972 0.64367844594122 0.66764424136472 15.999 > 93 96 O 0.70427232931972 0.64367844594122 0.66764424136472 15.999 > 93 97 O 0.20427232931972 0.35632155405878 0.16764424136472 15.999 > 97 98 O 0.70427232931972 0.35632155405878 0.16764424136472 15.999 > 97 99 O 0.20427232931972 0.85632155405878 0.16764424136472 15.999 > 97 100 O 0.70427232931972 0.85632155405878 0.16764424136472 15.999 > 97 101 O 0.29572767068028 0.35632155405878 0.33235575863528 15.999 > 101 102 O 0.79572767068028 0.35632155405878 0.33235575863528 15.999 > 101 103 O 0.29572767068028 0.85632155405878 0.33235575863528 15.999 > 101 104 O 0.79572767068028 0.85632155405878 0.33235575863528 15.999 > 101 105 O 0.36810226879202 0.30453087022994 0.56343830350829 15.999 > 105 106 O 0.86810226879202 0.30453087022994 0.56343830350829 15.999 > 105 107 O 0.36810226879202 0.80453087022994 0.56343830350829 15.999 > 105 108 O 0.86810226879202 0.80453087022994 0.56343830350829 15.999 > 105 109 O 0.13189773120799 0.30453087022994 0.93656169649171 15.999 > 109 110 O 0.63189773120798 0.30453087022994 0.93656169649171 15.999 > 109 111 O 0.13189773120799 0.80453087022994 0.93656169649171 15.999 > 109 112 O 0.63189773120798 0.80453087022994 0.93656169649171 15.999 > 109 113 O 0.13189773120799 0.19546912977006 0.43656169649171 15.999 > 113 114 O 0.63189773120798 0.19546912977006 0.43656169649171 15.999 > 113 115 O 0.13189773120799 0.69546912977006 0.43656169649171 15.999 > 113 116 O 0.63189773120798 0.69546912977006 0.43656169649171 15.999 > 113 117 O 0.36810226879202 0.19546912977006 0.06343830350829 15.999 > 117 118 O 0.86810226879202 0.19546912977006 0.06343830350829 15.999 > 117 119 O 0.36810226879202 0.69546912977006 0.06343830350829 15.999 > 117 120 O 0.86810226879202 0.69546912977006 0.06343830350829 15.999 > 117 121 O 0.48153411385325 0.12889495523420 0.60799421204736 15.999 > 121 122 O 0.98153411385324 0.12889495523420 0.60799421204736 15.999 > 121 123 O 0.48153411385325 0.62889495523420 0.60799421204736 15.999 > 121 124 O 0.98153411385324 0.62889495523420 0.60799421204736 15.999 > 121 125 O 0.01846588614676 0.12889495523420 0.89200578795264 15.999 > 125 126 O 0.51846588614676 0.12889495523420 0.89200578795264 15.999 > 125 127 O 0.01846588614676 0.62889495523420 0.89200578795264 15.999 > 125 128 O 0.51846588614676 0.62889495523420 0.89200578795264 15.999 > 125 129 O 0.01846588614676 0.37110504476580 0.39200578795264 15.999 > 129 130 O 0.51846588614676 0.37110504476580 0.39200578795264 15.999 > 129 131 O 0.01846588614676 0.87110504476580 0.39200578795264 15.999 > 129 132 O 0.51846588614676 0.87110504476580 0.39200578795264 15.999 > 129 133 O 0.48153411385325 0.37110504476580 0.10799421204736 15.999 > 133 134 O 0.98153411385324 0.37110504476580 0.10799421204736 15.999 > 133 135 O 0.48153411385325 0.87110504476580 0.10799421204736 15.999 > 133 136 O 0.98153411385324 0.87110504476580 0.10799421204736 15.999 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9154603 0.0000000 0.1612476 0.0000000 3.0707268 0.0000000 0.1612475 0.0000000 2.8843237 -------------------------- Born effective charges -------------------------- 1 Rb 1.1517049 0.0000000 0.0849049 0.0000000 1.2542515 0.0000000 0.1025654 0.0000000 1.4448887 2 Rb 1.1517049 0.0000000 0.0849049 0.0000000 1.2542515 0.0000000 0.1025654 0.0000000 1.4448887 3 Zn 2.0337088 0.1141221 0.0250049 0.1427706 2.0434573 -0.0865631 -0.1209891 -0.0829737 2.0635847 4 Zn 2.0337088 -0.1141221 0.0250049 -0.1427706 2.0434573 0.0865631 -0.1209891 0.0829737 2.0635847 5 Zn 2.0337088 0.1141221 0.0250049 0.1427706 2.0434573 -0.0865631 -0.1209891 -0.0829737 2.0635847 6 Zn 2.0337088 -0.1141221 0.0250049 -0.1427706 2.0434573 0.0865631 -0.1209891 0.0829737 2.0635847 7 Zn 2.1287752 0.0404849 0.0331343 0.0626016 2.1809758 0.0644446 0.2418777 0.0107024 1.7556457 8 Zn 2.1287752 -0.0404849 0.0331343 -0.0626016 2.1809758 -0.0644446 0.2418777 -0.0107024 1.7556457 9 Zn 2.1287752 0.0404849 0.0331343 0.0626016 2.1809758 0.0644446 0.2418777 0.0107024 1.7556457 10 Zn 2.1287752 -0.0404849 0.0331343 -0.0626016 2.1809758 -0.0644446 0.2418777 -0.0107024 1.7556457 11 B 0.9096914 0.0000000 0.8669404 0.0000000 2.9791825 0.0000000 1.0460283 0.0000000 2.4358864 12 B 0.9096914 0.0000000 0.8669404 0.0000000 2.9791825 0.0000000 1.0460283 0.0000000 2.4358864 13 B 1.9641150 -0.7418877 1.1687514 -0.4934600 2.2581302 0.5112753 0.8064939 0.5226580 1.6436714 14 B 1.9641150 0.7418877 1.1687514 0.4934600 2.2581302 -0.5112753 0.8064939 -0.5226580 1.6436714 15 B 1.9641150 -0.7418877 1.1687514 -0.4934600 2.2581302 0.5112753 0.8064939 0.5226580 1.6436714 16 B 1.9641150 0.7418877 1.1687514 0.4934600 2.2581302 -0.5112753 0.8064939 -0.5226580 1.6436714 17 O -0.8835486 0.0000000 -0.1576249 0.0000000 -2.7730267 0.0000000 -0.0960143 0.0000000 -1.6809513 18 O -0.8835486 0.0000000 -0.1576249 0.0000000 -2.7730267 0.0000000 -0.0960143 0.0000000 -1.6809513 19 O -1.4598265 -0.0216981 -0.6686167 -0.0670850 -1.8854459 0.4979163 -0.5600336 0.4732046 -1.6851814 20 O -1.4598265 0.0216981 -0.6686167 0.0670850 -1.8854459 -0.4979163 -0.5600336 -0.4732046 -1.6851814 21 O -1.4598265 -0.0216981 -0.6686167 -0.0670850 -1.8854459 0.4979163 -0.5600336 0.4732046 -1.6851814 22 O -1.4598265 0.0216981 -0.6686167 0.0670850 -1.8854459 -0.4979163 -0.5600336 -0.4732046 -1.6851814 23 O -1.3297253 -0.0360762 -0.6293130 -0.0812466 -1.8522541 -0.5299654 -0.7056337 -0.5496729 -2.1195941 24 O -1.3297253 0.0360762 -0.6293130 0.0812466 -1.8522541 0.5299654 -0.7056337 0.5496729 -2.1195941 25 O -1.3297253 -0.0360762 -0.6293130 -0.0812466 -1.8522541 -0.5299654 -0.7056337 -0.5496729 -2.1195941 26 O -1.3297253 0.0360762 -0.6293130 0.0812466 -1.8522541 0.5299654 -0.7056337 0.5496729 -2.1195941 27 O -1.6877589 0.5237917 0.2285972 0.3635744 -2.1157831 -0.0222304 0.2480567 -0.0676014 -1.3950852 28 O -1.6877589 -0.5237917 0.2285972 -0.3635744 -2.1157831 0.0222304 0.2480567 0.0676014 -1.3950852 29 O -1.6877589 0.5237917 0.2285972 0.3635744 -2.1157831 -0.0222304 0.2480567 -0.0676014 -1.3950852 30 O -1.6877589 -0.5237917 0.2285972 -0.3635744 -2.1157831 0.0222304 0.2480567 0.0676014 -1.3950852 31 O -2.2382123 0.5251594 -0.5546682 0.4097523 -1.3592839 0.1246391 -0.4360616 0.0747651 -1.3629531 32 O -2.2382123 -0.5251594 -0.5546682 -0.4097523 -1.3592839 -0.1246391 -0.4360616 -0.0747651 -1.3629531 33 O -2.2382123 0.5251594 -0.5546682 0.4097523 -1.3592839 0.1246391 -0.4360616 0.0747651 -1.3629531 34 O -2.2382123 -0.5251594 -0.5546682 -0.4097523 -1.3592839 -0.1246391 -0.4360616 -0.0747651 -1.3629531 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000012 (yyy) -0.00000012 (yyy) -0.00000012 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 4 ] 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: 0.55, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 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 1.262 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.200 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 13.394 ( 0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.396 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 17.433 ( 0.000 0.000 0.000) 0.000 17.607 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 19.571 ( 0.000 0.000 0.000) 0.000 19.596 ( 0.000 0.000 0.000) 0.000 19.736 ( 0.000 0.000 0.000) 0.000 19.754 ( 0.000 0.000 0.000) 0.000 19.889 ( 0.000 0.000 0.000) 0.000 19.889 ( 0.000 0.000 0.000) 0.000 20.101 ( 0.000 0.000 0.000) 0.000 20.116 ( 0.000 0.000 0.000) 0.000 20.180 ( 0.000 0.000 0.000) 0.000 20.357 ( 0.000 0.000 0.000) 0.000 21.104 ( 0.000 0.000 0.000) 0.000 21.233 ( 0.000 0.000 0.000) 0.000 21.378 ( 0.000 0.000 0.000) 0.000 21.410 ( 0.000 0.000 0.000) 0.000 27.408 ( 0.000 0.000 0.000) 0.000 27.422 ( 0.000 0.000 0.000) 0.000 27.489 ( 0.000 0.000 0.000) 0.000 27.511 ( 0.000 0.000 0.000) 0.000 28.366 ( 0.000 0.000 0.000) 0.000 28.376 ( 0.000 0.000 0.000) 0.000 34.295 ( 0.000 0.000 0.000) 0.000 34.302 ( 0.000 0.000 0.000) 0.000 34.982 ( 0.000 0.000 0.000) 0.000 35.355 ( 0.000 0.000 0.000) 0.000 37.250 ( 0.000 0.000 0.000) 0.000 37.485 ( 0.000 0.000 0.000) 0.000 38.191 ( 0.000 0.000 0.000) 0.000 39.120 ( 0.000 0.000 0.000) 0.000 40.073 ( 0.000 0.000 0.000) 0.000 40.083 ( 0.000 0.000 0.000) 0.000 40.864 ( 0.000 0.000 0.000) 0.000 41.422 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 20.316 0.000 3.344) 20.589 0.488 ( 21.482 0.000 7.365) 22.710 0.951 ( 41.821 0.000 27.970) 50.312 1.250 ( 0.001 0.000 -1.115) 1.115 1.443 ( 5.499 0.000 -5.149) 7.533 1.546 ( 0.776 0.000 3.296) 3.386 1.726 ( -2.376 0.000 0.801) 2.507 1.815 ( -2.051 0.000 -15.437) 15.573 1.842 ( 1.859 0.000 -14.282) 14.402 1.880 ( 1.376 0.000 11.163) 11.248 2.139 ( 9.228 0.000 13.472) 16.329 2.494 ( -8.448 0.000 -1.342) 8.554 2.629 ( -2.485 0.000 -1.179) 2.751 2.634 ( -6.845 0.000 -8.176) 10.663 2.916 ( 2.506 0.000 0.953) 2.681 2.927 ( 6.374 0.000 -0.173) 6.376 3.137 ( -8.066 0.000 -13.344) 15.592 3.193 ( -0.728 0.000 -1.150) 1.361 3.350 ( 1.853 0.000 2.642) 3.227 3.394 ( 1.586 0.000 -8.414) 8.562 3.546 ( -5.039 0.000 -1.974) 5.412 3.547 ( 0.746 0.000 2.488) 2.597 3.969 ( 5.283 0.000 4.359) 6.849 4.097 ( 0.680 0.000 -2.965) 3.042 4.140 ( 0.246 0.000 0.036) 0.249 4.218 ( 0.312 0.000 0.616) 0.691 4.481 ( 2.058 0.000 3.305) 3.894 4.564 ( 4.726 0.000 -7.911) 9.215 4.594 ( -2.508 0.000 6.472) 6.941 4.701 ( -6.966 0.000 9.835) 12.053 4.717 ( 3.582 0.000 6.419) 7.351 4.793 ( 0.818 0.000 -1.641) 1.833 5.086 ( 1.531 0.000 1.242) 1.972 5.352 ( 3.258 0.000 -2.078) 3.865 5.485 ( -2.624 0.000 -34.913) 35.011 5.655 ( 0.223 0.000 1.182) 1.203 5.924 ( 2.856 0.000 -1.290) 3.134 5.980 ( -1.025 0.000 3.787) 3.923 6.394 ( 1.091 0.000 1.306) 1.702 6.577 ( -3.226 0.000 0.873) 3.342 6.607 ( -3.515 0.000 0.418) 3.540 6.799 ( -0.345 0.000 -1.354) 1.398 6.933 ( 1.689 0.000 6.953) 7.155 7.213 ( 0.446 0.000 -4.990) 5.010 7.774 ( -0.965 0.000 1.466) 1.755 8.070 ( 1.267 0.000 -1.260) 1.787 8.763 ( -3.232 0.000 34.390) 34.541 8.792 ( -4.223 0.000 -5.267) 6.751 9.846 ( 1.328 0.000 -4.118) 4.327 10.039 ( 0.414 0.000 0.322) 0.524 10.198 ( -0.251 0.000 0.222) 0.335 10.213 ( -4.309 0.000 -0.318) 4.321 11.472 ( -0.901 0.000 23.287) 23.304 11.554 ( -7.347 0.000 -3.585) 8.176 11.632 ( 0.584 0.000 0.684) 0.899 11.735 ( -2.591 0.000 -1.632) 3.063 12.537 ( -3.506 0.000 0.556) 3.550 12.615 ( 1.650 0.000 0.018) 1.650 12.880 ( 1.054 0.000 -0.491) 1.163 13.279 ( 4.859 0.000 8.917) 10.155 13.459 ( 5.271 0.000 3.448) 6.299 13.927 ( -1.058 0.000 -14.464) 14.502 14.145 ( -1.321 0.000 2.460) 2.793 14.420 ( -0.821 0.000 -0.660) 1.053 14.522 ( 1.760 0.000 0.646) 1.875 14.523 ( 0.312 0.000 -11.579) 11.583 17.450 ( 1.537 0.000 0.828) 1.746 17.600 ( -0.609 0.000 -1.461) 1.583 17.691 ( -0.590 0.000 1.027) 1.184 17.729 ( -1.216 0.000 -1.025) 1.590 19.564 ( -0.460 0.000 0.040) 0.462 19.616 ( 0.086 0.000 1.996) 1.998 19.726 ( -0.764 0.000 -0.801) 1.107 19.774 ( 1.629 0.000 -0.865) 1.845 19.898 ( 0.857 0.000 -0.297) 0.907 20.013 ( 0.458 0.000 5.097) 5.117 20.113 ( -0.272 0.000 -0.515) 0.583 20.114 ( 1.134 0.000 0.191) 1.150 20.333 ( -2.181 0.000 1.945) 2.922 20.498 ( 1.364 0.000 -19.612) 19.659 21.177 ( -0.433 0.000 -15.542) 15.548 21.221 ( -0.799 0.000 1.428) 1.636 21.391 ( 1.123 0.000 -0.540) 1.246 21.452 ( 3.269 0.000 0.487) 3.305 27.425 ( 0.293 0.000 -0.796) 0.848 27.453 ( -0.523 0.000 2.025) 2.091 27.493 ( 0.276 0.000 0.525) 0.593 27.518 ( 0.593 0.000 0.514) 0.784 28.364 ( -0.168 0.000 -0.068) 0.181 28.375 ( -0.049 0.000 -0.374) 0.377 34.323 ( 1.994 0.000 -0.361) 2.026 34.334 ( 3.609 0.000 0.108) 3.611 34.956 ( -2.381 0.000 -2.255) 3.279 35.329 ( -2.692 0.000 3.419) 4.351 37.251 ( 0.015 0.000 0.289) 0.289 37.464 ( -1.827 0.000 -0.345) 1.859 38.721 ( -5.420 0.000 45.816) 46.135 38.914 ( -20.330 0.000 -5.204) 20.985 39.793 ( -15.579 0.000 -3.645) 15.999 40.084 ( 0.889 0.000 1.780) 1.989 41.793 ( 26.181 0.000 -9.083) 27.712 42.308 ( -3.022 0.000 67.229) 67.297 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 14.945 0.000 2.897) 15.223 0.867 ( 14.055 0.000 2.555) 14.286 1.271 ( 1.640 0.000 -2.661) 3.126 1.494 ( 6.438 0.000 -3.059) 7.128 1.499 ( -0.125 0.000 0.947) 0.955 1.698 ( -0.318 0.000 -2.511) 2.531 1.751 ( 7.487 0.000 -3.571) 8.295 1.776 ( 1.577 0.000 -0.025) 1.577 1.940 ( 2.586 0.000 14.698) 14.924 1.981 ( 20.803 0.000 20.176) 28.980 2.308 ( -4.255 0.000 -4.765) 6.388 2.351 ( 9.531 0.000 6.198) 11.369 2.528 ( -5.081 0.000 -7.179) 8.795 2.568 ( -1.674 0.000 -0.497) 1.746 2.847 ( -16.171 0.000 -13.334) 20.959 2.906 ( -2.612 0.000 -1.708) 3.121 3.104 ( 9.596 0.000 -0.972) 9.645 3.239 ( 3.224 0.000 -1.608) 3.603 3.372 ( 2.928 0.000 1.693) 3.382 3.399 ( -0.712 0.000 -7.176) 7.211 3.478 ( 0.356 0.000 -1.876) 1.910 3.653 ( 6.626 0.000 5.579) 8.662 4.082 ( 4.201 0.000 4.383) 6.071 4.100 ( -4.234 0.000 -2.970) 5.172 4.142 ( 2.563 0.000 -3.151) 4.062 4.180 ( -4.737 0.000 4.183) 6.320 4.454 ( -9.957 0.000 2.191) 10.195 4.487 ( -0.631 0.000 -3.091) 3.154 4.648 ( 2.974 0.000 -2.931) 4.176 4.651 ( 1.996 0.000 4.617) 5.030 4.793 ( 1.952 0.000 3.741) 4.220 4.831 ( 2.257 0.000 -3.020) 3.771 5.093 ( -0.778 0.000 -0.814) 1.126 5.360 ( -6.422 0.000 -15.788) 17.044 5.437 ( 5.172 0.000 -0.228) 5.177 5.653 ( -0.753 0.000 0.814) 1.109 5.991 ( 3.091 0.000 1.012) 3.252 5.996 ( 2.392 0.000 5.274) 5.791 6.391 ( -1.455 0.000 1.420) 2.033 6.470 ( -5.695 0.000 -2.673) 6.291 6.549 ( -2.433 0.000 1.553) 2.886 6.755 ( -2.731 0.000 -0.279) 2.745 7.020 ( 3.564 0.000 5.993) 6.972 7.200 ( -1.314 0.000 -4.742) 4.921 7.803 ( 5.096 0.000 5.601) 7.573 8.134 ( 5.254 0.000 -3.573) 6.353 8.633 ( -10.525 0.000 -9.226) 13.996 8.709 ( -4.616 0.000 15.899) 16.555 9.874 ( 1.404 0.000 -0.612) 1.531 10.048 ( 0.332 0.000 0.893) 0.953 10.118 ( -4.047 0.000 -1.323) 4.258 10.191 ( -0.454 0.000 0.364) 0.581 11.375 ( -8.347 0.000 -4.608) 9.534 11.479 ( -0.116 0.000 9.802) 9.803 11.648 ( 0.763 0.000 0.913) 1.190 11.674 ( -2.674 0.000 -1.312) 2.979 12.461 ( -3.391 0.000 0.456) 3.422 12.673 ( 3.561 0.000 -1.197) 3.757 12.891 ( -0.132 0.000 0.952) 0.962 13.405 ( 5.939 0.000 5.543) 8.124 13.574 ( 4.647 0.000 3.289) 5.693 13.879 ( -2.062 0.000 -10.070) 10.278 14.114 ( -1.766 0.000 3.446) 3.872 14.410 ( 0.005 0.000 -0.271) 0.271 14.515 ( -0.203 0.000 -5.562) 5.566 14.555 ( 1.240 0.000 0.493) 1.335 17.496 ( 2.669 0.000 1.503) 3.063 17.582 ( -0.847 0.000 -1.585) 1.797 17.685 ( -0.103 0.000 1.184) 1.189 17.691 ( -2.272 0.000 -1.749) 2.867 19.558 ( -0.062 0.000 0.147) 0.160 19.621 ( 0.185 0.000 1.048) 1.064 19.707 ( -0.907 0.000 -1.041) 1.381 19.807 ( 1.417 0.000 -0.906) 1.682 19.918 ( 0.976 0.000 -0.459) 1.078 20.032 ( 0.924 0.000 2.644) 2.801 20.104 ( -0.519 0.000 -0.916) 1.053 20.141 ( 1.308 0.000 -0.367) 1.358 20.281 ( -2.769 0.000 2.681) 3.854 20.506 ( 0.765 0.000 -6.846) 6.889 21.150 ( -0.965 0.000 -5.236) 5.325 21.212 ( -0.155 0.000 1.340) 1.349 21.415 ( 1.095 0.000 -0.331) 1.144 21.516 ( 2.425 0.000 1.006) 2.626 27.431 ( 0.406 0.000 -0.952) 1.035 27.444 ( -0.391 0.000 0.845) 0.931 27.498 ( 0.136 0.000 0.610) 0.625 27.532 ( 0.575 0.000 0.523) 0.777 28.360 ( -0.207 0.000 -0.089) 0.225 28.375 ( 0.070 0.000 -0.320) 0.328 34.378 ( 3.146 0.000 -0.444) 3.177 34.435 ( 5.698 0.000 0.047) 5.698 34.888 ( -3.700 0.000 -1.242) 3.902 35.251 ( -5.036 0.000 4.162) 6.533 37.252 ( 0.038 0.000 0.342) 0.344 37.422 ( -1.796 0.000 -0.534) 1.874 38.398 ( -23.580 0.000 -9.120) 25.282 38.646 ( -4.618 0.000 17.406) 18.008 39.605 ( -4.032 0.000 -2.939) 4.990 40.108 ( 1.012 0.000 2.118) 2.347 42.256 ( 17.726 0.000 -8.183) 19.523 42.319 ( -0.709 0.000 24.041) 24.051 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 5.627 0.000 1.526) 5.830 1.069 ( 5.487 0.000 -6.172) 8.258 1.278 ( -0.965 0.000 7.854) 7.913 1.523 ( 3.268 0.000 1.929) 3.794 1.606 ( 5.328 0.000 -2.899) 6.066 1.636 ( -5.042 0.000 -5.879) 7.745 1.739 ( -1.603 0.000 -3.364) 3.727 1.793 ( -1.158 0.000 0.188) 1.173 2.054 ( 8.488 0.000 12.277) 14.925 2.250 ( -0.348 0.000 5.655) 5.666 2.321 ( -6.684 0.000 -6.879) 9.591 2.343 ( -2.775 0.000 -3.438) 4.418 2.584 ( -5.993 0.000 -5.464) 8.110 2.644 ( 7.434 0.000 7.371) 10.469 2.669 ( 15.618 0.000 9.607) 18.336 2.828 ( -4.127 0.000 -5.423) 6.814 3.249 ( 3.383 0.000 -0.119) 3.385 3.252 ( -0.474 0.000 -1.690) 1.755 3.354 ( -3.976 0.000 -6.425) 7.556 3.520 ( 9.471 0.000 2.148) 9.711 3.591 ( 11.734 0.000 -3.247) 12.175 3.777 ( 4.475 0.000 4.842) 6.593 3.931 ( -10.362 0.000 -5.423) 11.695 3.942 ( -15.425 0.000 5.483) 16.371 4.188 ( 1.589 0.000 -1.813) 2.411 4.201 ( 4.326 0.000 4.657) 6.356 4.295 ( -4.830 0.000 -3.301) 5.850 4.463 ( -0.953 0.000 -1.873) 2.102 4.694 ( 1.669 0.000 -0.400) 1.716 4.737 ( 4.152 0.000 4.790) 6.339 4.793 ( -1.186 0.000 0.633) 1.344 4.856 ( 0.126 0.000 -3.487) 3.489 5.071 ( -0.748 0.000 -0.166) 0.766 5.219 ( -4.600 0.000 -6.320) 7.816 5.548 ( 4.493 0.000 0.697) 4.547 5.625 ( -1.869 0.000 0.135) 1.873 6.038 ( 1.193 0.000 0.483) 1.287 6.067 ( 2.758 0.000 2.520) 3.736 6.355 ( -1.473 0.000 0.784) 1.668 6.377 ( -2.467 0.000 -1.228) 2.756 6.513 ( -0.937 0.000 0.463) 1.045 6.715 ( -0.933 0.000 0.022) 0.934 7.042 ( -0.792 0.000 1.257) 1.486 7.164 ( -1.196 0.000 -1.589) 1.989 8.020 ( 13.897 0.000 10.291) 17.293 8.252 ( 4.959 0.000 -3.446) 6.039 8.350 ( -14.977 0.000 -11.063) 18.620 8.620 ( -4.081 0.000 6.692) 7.838 9.896 ( 0.604 0.000 0.031) 0.605 10.051 ( -0.298 0.000 2.607) 2.624 10.061 ( -0.990 0.000 -2.911) 3.075 10.183 ( -0.254 0.000 0.192) 0.319 11.241 ( -3.480 0.000 -2.018) 4.023 11.486 ( 0.025 0.000 2.981) 2.981 11.634 ( -1.006 0.000 -0.443) 1.099 11.661 ( 0.354 0.000 0.429) 0.556 12.411 ( -1.305 0.000 0.145) 1.313 12.736 ( 2.016 0.000 -1.307) 2.402 12.882 ( -0.539 0.000 1.265) 1.375 13.508 ( 2.882 0.000 2.920) 4.103 13.641 ( 1.540 0.000 1.173) 1.936 13.832 ( -1.246 0.000 -4.921) 5.076 14.087 ( -0.870 0.000 1.743) 1.948 14.415 ( 0.233 0.000 0.024) 0.234 14.506 ( -0.165 0.000 -1.846) 1.854 14.572 ( 0.362 0.000 0.168) 0.399 17.558 ( 2.872 0.000 1.739) 3.357 17.567 ( -0.362 0.000 -0.611) 0.710 17.635 ( -2.697 0.000 -1.851) 3.271 17.687 ( 0.099 0.000 0.481) 0.491 19.560 ( 0.082 0.000 0.099) 0.129 19.625 ( 0.090 0.000 0.396) 0.406 19.692 ( -0.393 0.000 -0.494) 0.631 19.826 ( 0.524 0.000 -0.377) 0.645 19.933 ( 0.402 0.000 -0.223) 0.460 20.052 ( 0.662 0.000 1.298) 1.457 20.092 ( -0.476 0.000 -0.804) 0.934 20.162 ( 0.706 0.000 -0.671) 0.974 20.237 ( -1.429 0.000 1.608) 2.151 20.513 ( 0.267 0.000 -1.813) 1.832 21.131 ( -0.412 0.000 -1.372) 1.432 21.214 ( 0.067 0.000 0.527) 0.531 21.432 ( 0.423 0.000 -0.080) 0.430 21.549 ( 0.691 0.000 0.477) 0.840 27.437 ( 0.198 0.000 -0.427) 0.471 27.439 ( -0.136 0.000 0.270) 0.302 27.500 ( -0.014 0.000 0.268) 0.268 27.541 ( 0.226 0.000 0.213) 0.310 28.356 ( -0.091 0.000 -0.041) 0.100 28.376 ( 0.068 0.000 -0.092) 0.115 34.436 ( 1.894 0.000 -0.190) 1.904 34.540 ( 3.456 0.000 -0.070) 3.457 34.820 ( -2.143 0.000 -0.445) 2.189 35.156 ( -3.343 0.000 1.836) 3.814 37.253 ( 0.025 0.000 0.145) 0.147 37.398 ( -0.465 0.000 -0.232) 0.520 38.043 ( -8.873 0.000 -4.206) 9.820 38.587 ( -1.885 0.000 4.952) 5.299 39.560 ( -0.779 0.000 -1.097) 1.346 40.125 ( 0.421 0.000 0.912) 1.004 42.327 ( -0.105 0.000 6.484) 6.484 42.492 ( 5.764 0.000 -3.004) 6.500 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 21.412 0.000) 21.412 0.556 ( 0.000 26.968 0.000) 26.968 1.083 ( 0.000 40.572 0.000) 40.572 1.303 ( 0.000 3.773 0.000) 3.773 1.415 ( 0.000 5.221 0.000) 5.221 1.530 ( 0.000 -0.046 0.000) 0.046 1.646 ( 0.000 8.859 0.000) 8.859 1.873 ( 0.000 1.915 0.000) 1.915 1.902 ( 0.000 13.021 0.000) 13.021 2.080 ( 0.000 6.928 0.000) 6.928 2.140 ( 0.000 19.383 0.000) 19.383 2.507 ( 0.000 -1.785 0.000) 1.785 2.654 ( 0.000 0.316 0.000) 0.316 2.865 ( 0.000 6.914 0.000) 6.914 2.899 ( 0.000 3.339 0.000) 3.339 2.918 ( 0.000 3.977 0.000) 3.977 3.209 ( 0.000 -0.666 0.000) 0.666 3.218 ( 0.000 0.715 0.000) 0.715 3.318 ( 0.000 -1.476 0.000) 1.476 3.361 ( 0.000 4.495 0.000) 4.495 3.547 ( 0.000 -3.461 0.000) 3.461 3.673 ( 0.000 4.867 0.000) 4.867 3.899 ( 0.000 0.455 0.000) 0.455 4.037 ( 0.000 -6.040 0.000) 6.040 4.151 ( 0.000 1.507 0.000) 1.507 4.233 ( 0.000 0.471 0.000) 0.471 4.384 ( 0.000 -0.494 0.000) 0.494 4.529 ( 0.000 3.814 0.000) 3.814 4.540 ( 0.000 0.317 0.000) 0.317 4.711 ( 0.000 0.624 0.000) 0.624 4.783 ( 0.000 3.494 0.000) 3.494 4.971 ( 0.000 2.656 0.000) 2.656 5.131 ( 0.000 9.418 0.000) 9.418 5.241 ( 0.000 -7.554 0.000) 7.554 5.457 ( 0.000 6.363 0.000) 6.363 5.519 ( 0.000 -9.565 0.000) 9.565 5.870 ( 0.000 -0.864 0.000) 0.864 5.996 ( 0.000 -3.583 0.000) 3.583 6.371 ( 0.000 -0.407 0.000) 0.407 6.594 ( 0.000 -5.654 0.000) 5.654 6.604 ( 0.000 -0.698 0.000) 0.698 6.810 ( 0.000 3.618 0.000) 3.618 7.133 ( 0.000 -7.525 0.000) 7.525 7.330 ( 0.000 -4.561 0.000) 4.561 7.753 ( 0.000 -1.596 0.000) 1.596 8.122 ( 0.000 5.368 0.000) 5.368 8.449 ( 0.000 6.743 0.000) 6.743 8.978 ( 0.000 -3.100 0.000) 3.100 9.826 ( 0.000 1.238 0.000) 1.238 10.035 ( 0.000 0.047 0.000) 0.047 10.189 ( 0.000 -0.975 0.000) 0.975 10.317 ( 0.000 -1.009 0.000) 1.009 11.313 ( 0.000 1.648 0.000) 1.648 11.596 ( 0.000 -3.810 0.000) 3.810 11.697 ( 0.000 6.431 0.000) 6.431 12.208 ( 0.000 -3.410 0.000) 3.410 12.570 ( 0.000 -1.776 0.000) 1.776 12.622 ( 0.000 3.714 0.000) 3.714 12.915 ( 0.000 5.967 0.000) 5.967 13.342 ( 0.000 -4.623 0.000) 4.623 13.436 ( 0.000 -5.772 0.000) 5.772 13.469 ( 0.000 -1.206 0.000) 1.206 14.151 ( 0.000 -0.855 0.000) 0.855 14.340 ( 0.000 -4.954 0.000) 4.954 14.442 ( 0.000 -1.454 0.000) 1.454 14.486 ( 0.000 -1.521 0.000) 1.521 17.436 ( 0.000 0.181 0.000) 0.181 17.598 ( 0.000 -1.726 0.000) 1.726 17.691 ( 0.000 -0.636 0.000) 0.636 17.757 ( 0.000 1.271 0.000) 1.271 19.566 ( 0.000 -0.326 0.000) 0.326 19.632 ( 0.000 2.989 0.000) 2.989 19.701 ( 0.000 -3.337 0.000) 3.337 19.738 ( 0.000 -4.233 0.000) 4.233 19.893 ( 0.000 0.399 0.000) 0.399 20.006 ( 0.000 -2.014 0.000) 2.014 20.070 ( 0.000 -2.824 0.000) 2.824 20.110 ( 0.000 -0.560 0.000) 0.560 20.189 ( 0.000 0.762 0.000) 0.762 20.335 ( 0.000 -1.755 0.000) 1.755 21.115 ( 0.000 0.888 0.000) 0.888 21.339 ( 0.000 -3.081 0.000) 3.081 21.416 ( 0.000 0.179 0.000) 0.179 21.420 ( 0.000 0.935 0.000) 0.935 27.412 ( 0.000 0.323 0.000) 0.323 27.440 ( 0.000 -0.257 0.000) 0.257 27.496 ( 0.000 0.622 0.000) 0.622 27.525 ( 0.000 1.185 0.000) 1.185 28.375 ( 0.000 0.855 0.000) 0.855 28.390 ( 0.000 1.185 0.000) 1.185 34.350 ( 0.000 5.494 0.000) 5.494 34.366 ( 0.000 6.180 0.000) 6.180 35.131 ( 0.000 13.843 0.000) 13.843 36.603 ( 0.000 -10.754 0.000) 10.754 37.560 ( 0.000 23.379 0.000) 23.379 38.206 ( 0.000 1.483 0.000) 1.483 39.037 ( 0.000 0.965 0.000) 0.965 39.120 ( 0.000 -0.232 0.000) 0.232 40.015 ( 0.000 -5.976 0.000) 5.976 40.079 ( 0.000 0.655 0.000) 0.655 40.833 ( 0.000 -3.164 0.000) 3.164 41.426 ( 0.000 -8.022 0.000) 8.022 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.367 16.125 1.946) 21.685 0.912 ( 21.434 19.683 17.096) 33.750 1.231 ( 13.001 19.590 6.467) 24.384 1.337 ( 4.030 5.792 3.260) 7.773 1.473 ( 5.758 5.356 -3.000) 8.417 1.632 ( -0.245 7.485 0.003) 7.489 1.656 ( 6.536 -4.145 -3.547) 8.514 1.835 ( -1.851 5.080 1.925) 5.739 1.930 ( 0.446 9.882 3.064) 10.356 2.033 ( -0.512 18.680 -11.749) 22.073 2.207 ( 5.584 6.790 11.738) 14.665 2.500 ( -1.540 -0.175 -1.384) 2.077 2.567 ( -6.633 2.082 -5.835) 9.076 2.726 ( -5.769 3.103 -1.626) 6.749 2.890 ( 0.165 3.272 0.616) 3.334 3.001 ( 0.505 1.799 -0.505) 1.936 3.089 ( -7.209 -2.410 -10.444) 12.917 3.244 ( 2.036 5.233 -2.411) 6.111 3.355 ( 1.155 -1.975 -4.102) 4.697 3.404 ( 4.123 5.333 2.531) 7.201 3.531 ( -2.095 -0.342 2.742) 3.467 3.663 ( -0.099 6.513 -0.803) 6.563 3.921 ( 1.933 -3.043 1.913) 4.081 4.031 ( -0.080 -5.997 -0.301) 6.005 4.160 ( -1.403 1.041 -0.501) 1.818 4.170 ( 0.164 -1.196 1.289) 1.766 4.497 ( -0.812 -1.107 -0.374) 1.423 4.501 ( 2.015 -1.728 1.551) 3.075 4.563 ( 2.160 -2.028 -0.766) 3.061 4.729 ( 1.723 4.730 7.354) 8.912 4.798 ( 0.394 0.904 -2.541) 2.726 4.932 ( -2.292 9.867 2.696) 10.482 5.111 ( 1.868 4.397 -4.302) 6.429 5.309 ( 1.723 -4.733 -5.355) 7.351 5.463 ( 1.141 -0.903 -2.931) 3.272 5.551 ( 2.390 -4.383 -3.223) 5.942 5.936 ( 4.444 -0.111 -1.091) 4.577 5.972 ( -1.236 -1.605 3.084) 3.690 6.369 ( -1.215 -2.510 1.426) 3.132 6.531 ( -4.783 -5.262 -1.906) 7.362 6.616 ( -0.204 -0.587 2.359) 2.440 6.815 ( -0.415 -0.518 3.467) 3.530 7.025 ( -11.155 3.627 -4.987) 12.746 7.169 ( -0.735 -3.503 -1.574) 3.910 7.776 ( 1.610 1.050 2.478) 3.136 8.099 ( 1.225 3.949 -2.632) 4.901 8.617 ( 4.918 -1.555 12.334) 13.369 8.905 ( -5.802 0.821 -0.672) 5.898 9.844 ( 1.397 0.518 -1.059) 1.829 10.041 ( 0.521 0.099 0.281) 0.600 10.162 ( -2.041 -0.804 -0.538) 2.259 10.275 ( -2.865 1.513 -0.030) 3.240 11.380 ( 2.661 -1.737 6.263) 7.023 11.538 ( -4.475 -1.843 0.012) 4.840 11.700 ( 0.216 6.056 0.081) 6.061 12.050 ( -11.182 13.066 2.733) 17.413 12.552 ( -4.274 2.433 0.351) 4.930 12.624 ( 2.872 -0.482 0.330) 2.931 12.855 ( 0.155 0.331 -0.360) 0.513 13.252 ( 1.135 -1.864 4.160) 4.697 13.418 ( 4.085 -3.761 2.897) 6.263 13.799 ( 7.533 -10.162 -8.236) 15.094 14.137 ( -1.366 -0.823 1.548) 2.223 14.344 ( 0.016 -6.452 -2.017) 6.760 14.442 ( 0.333 -3.435 -1.850) 3.916 14.506 ( 1.481 -2.366 -1.122) 3.008 17.445 ( 0.819 -0.542 0.566) 1.134 17.602 ( 0.831 -0.243 -1.313) 1.573 17.656 ( -2.735 -1.918 0.465) 3.373 17.780 ( 0.971 3.079 0.038) 3.229 19.574 ( -0.178 0.411 1.134) 1.219 19.628 ( 0.052 0.852 1.185) 1.461 19.693 ( -0.642 -3.156 -0.749) 3.307 19.750 ( 0.969 -2.349 -0.777) 2.657 19.888 ( 0.574 -0.686 -0.082) 0.898 20.006 ( 0.288 -0.848 2.326) 2.492 20.085 ( 0.772 -2.978 0.557) 3.127 20.094 ( -0.258 -1.475 -0.231) 1.515 20.290 ( 0.918 -4.194 -2.929) 5.197 20.356 ( 4.541 -4.654 -6.208) 8.990 21.110 ( -0.261 -0.852 -1.382) 1.644 21.279 ( -3.410 -0.447 -1.379) 3.706 21.403 ( 0.972 0.863 -0.781) 1.516 21.486 ( 2.942 1.156 -0.932) 3.295 27.426 ( 0.676 0.345 0.007) 0.759 27.445 ( 0.288 -0.582 0.972) 1.169 27.501 ( 0.355 0.562 0.037) 0.666 27.527 ( 0.249 1.007 -0.064) 1.039 28.371 ( -0.294 0.876 0.345) 0.986 28.388 ( -0.117 1.084 -0.381) 1.155 34.385 ( 2.556 5.831 -0.066) 6.367 34.401 ( 3.792 6.227 -0.483) 7.306 35.099 ( -3.130 13.497 1.392) 13.925 35.984 ( -37.068 25.133 -14.084) 46.948 37.466 ( -5.866 23.238 -0.821) 23.981 37.742 ( -11.947 20.526 -7.838) 25.009 38.725 ( -8.937 0.669 35.277) 36.398 38.912 ( -20.445 -0.575 -3.601) 20.768 39.789 ( -12.535 -0.145 -3.232) 12.946 40.077 ( 0.711 -0.276 2.348) 2.469 41.534 ( 28.099 -23.596 7.917) 37.537 41.942 ( 24.854 -19.492 19.740) 37.246 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 12.328 11.725 3.910) 17.457 1.198 ( 7.304 19.282 -2.713) 20.796 1.396 ( 4.909 7.098 2.940) 9.118 1.499 ( 1.073 -0.056 -1.191) 1.604 1.582 ( 3.962 8.752 -0.969) 9.656 1.717 ( 6.662 -2.016 4.262) 8.161 1.746 ( 1.504 3.584 4.018) 5.590 1.854 ( 0.867 8.849 -8.017) 11.972 1.922 ( 7.213 1.801 9.856) 12.346 2.164 ( 9.785 12.395 11.875) 19.759 2.305 ( 1.102 8.543 -1.859) 8.812 2.446 ( 0.619 3.599 -2.116) 4.220 2.509 ( 2.257 1.259 -1.775) 3.136 2.644 ( -2.117 6.185 0.408) 6.550 2.855 ( -11.647 2.308 -9.935) 15.482 2.893 ( -1.225 0.759 -1.355) 1.978 3.023 ( 3.179 -5.081 -0.551) 6.019 3.257 ( 0.484 -1.099 -1.698) 2.080 3.375 ( -0.374 -1.590 -4.530) 4.815 3.481 ( -2.519 5.325 0.697) 5.932 3.525 ( 7.151 8.271 -0.883) 10.969 3.689 ( 2.808 3.232 1.755) 4.628 3.972 ( -7.921 -11.352 1.382) 13.911 3.991 ( 3.270 -6.301 2.978) 7.698 4.103 ( -0.681 -3.452 -2.169) 4.133 4.224 ( 2.526 3.319 2.677) 4.956 4.436 ( -6.494 -0.511 2.020) 6.820 4.491 ( 0.782 1.315 -2.155) 2.643 4.631 ( 2.370 -3.010 0.836) 3.922 4.746 ( -0.152 8.381 0.408) 8.393 4.816 ( 2.486 -1.716 0.281) 3.034 4.934 ( 0.818 9.744 -1.414) 9.880 5.133 ( -0.031 3.946 -3.103) 5.020 5.289 ( -2.776 -4.159 -7.748) 9.221 5.501 ( 2.511 -2.029 0.346) 3.247 5.604 ( 3.163 2.447 -1.278) 4.198 5.979 ( 2.218 -1.300 5.044) 5.661 6.015 ( 2.456 1.038 -0.242) 2.678 6.309 ( -4.148 -5.742 1.274) 7.197 6.424 ( -4.641 -4.042 -2.586) 6.676 6.563 ( -4.772 0.035 1.367) 4.964 6.756 ( -5.927 -4.341 1.127) 7.433 6.925 ( 2.211 -2.905 -0.170) 3.655 7.200 ( 1.446 -1.803 -0.380) 2.342 7.847 ( 5.840 4.201 5.485) 9.047 8.168 ( 5.231 3.314 -2.700) 6.755 8.600 ( -6.817 -0.880 -1.268) 6.990 8.780 ( -5.525 4.521 3.682) 8.033 9.873 ( 1.338 0.199 -0.119) 1.358 10.055 ( 0.637 0.420 1.207) 1.428 10.112 ( -2.414 0.032 -1.324) 2.754 10.224 ( -1.930 1.958 -0.154) 2.753 11.348 ( -5.187 -1.390 -2.972) 6.137 11.496 ( 0.516 1.850 5.731) 6.044 11.705 ( 0.162 5.271 0.355) 5.285 11.853 ( -7.292 13.380 0.521) 15.246 12.479 ( -2.991 1.693 0.466) 3.469 12.685 ( 3.280 0.985 -0.660) 3.487 12.887 ( 1.364 -0.228 0.602) 1.508 13.337 ( 5.282 -5.666 3.364) 8.445 13.513 ( 3.988 -5.451 2.748) 7.292 13.837 ( -0.753 -4.618 -7.049) 8.460 14.104 ( -1.889 -1.013 2.708) 3.454 14.337 ( -0.293 -6.689 -1.230) 6.808 14.455 ( 1.046 -4.489 -1.650) 4.895 14.527 ( 0.370 -3.286 -0.981) 3.449 17.468 ( 1.221 -2.182 0.615) 2.575 17.596 ( -2.831 -2.452 0.102) 3.747 17.632 ( 2.091 1.786 -1.202) 3.001 17.783 ( -0.692 4.772 0.023) 4.822 19.569 ( -0.082 0.802 0.598) 1.004 19.632 ( 0.125 0.669 1.104) 1.297 19.676 ( -0.869 -2.899 -1.218) 3.262 19.769 ( 0.871 -3.397 -0.885) 3.617 19.910 ( 1.219 -0.779 -0.260) 1.470 20.021 ( 0.834 -1.072 1.923) 2.355 20.083 ( -0.390 -2.102 -0.928) 2.331 20.108 ( 0.834 -3.044 0.321) 3.173 20.261 ( -2.094 -1.713 1.994) 3.361 20.429 ( 2.483 -5.476 -5.748) 8.318 21.104 ( -0.238 -2.339 -1.259) 2.667 21.228 ( -1.542 -0.105 -0.178) 1.556 21.428 ( 1.267 0.972 -0.478) 1.667 21.536 ( 1.772 1.045 0.400) 2.096 27.435 ( 0.342 0.376 -0.641) 0.818 27.450 ( 0.105 0.384 0.943) 1.024 27.506 ( 0.084 0.580 0.227) 0.628 27.535 ( 0.481 0.477 0.141) 0.692 28.366 ( -0.174 0.794 0.218) 0.842 28.386 ( -0.019 0.951 -0.385) 1.027 34.450 ( 3.614 6.968 -0.295) 7.855 34.507 ( 6.055 6.527 -0.407) 8.912 35.015 ( -4.658 12.256 0.971) 13.147 35.457 ( -15.928 15.388 -1.765) 22.217 37.400 ( -1.317 15.351 1.356) 15.467 37.606 ( -3.921 15.790 -1.297) 16.321 38.396 ( -22.445 -0.231 -8.570) 24.027 38.631 ( -5.195 -1.377 15.410) 16.320 39.634 ( -3.478 2.922 -2.698) 5.284 40.101 ( 1.079 -0.389 2.326) 2.594 41.991 ( 15.248 -19.972 6.150) 25.869 42.259 ( 8.469 -9.764 4.946) 13.839 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 4.034 8.577 0.743) 9.508 1.290 ( 2.554 14.951 -3.314) 15.525 1.474 ( 0.162 5.386 3.154) 6.244 1.506 ( 3.996 -0.689 2.476) 4.751 1.636 ( -0.641 -1.273 0.977) 1.728 1.676 ( -3.106 14.924 -6.569) 16.599 1.818 ( 2.595 6.427 -0.226) 6.935 1.871 ( 1.906 8.502 -1.141) 8.787 2.105 ( 4.566 3.816 8.678) 10.523 2.238 ( -1.814 -0.779 0.477) 2.031 2.349 ( -1.179 1.426 -3.269) 3.756 2.407 ( 0.191 10.477 2.376) 10.745 2.588 ( -4.661 4.146 -6.927) 9.322 2.659 ( 6.474 0.867 4.990) 8.220 2.799 ( 4.054 7.212 3.218) 8.877 2.888 ( 4.642 8.127 1.343) 9.455 3.109 ( 3.351 -8.706 -0.949) 9.376 3.287 ( 1.172 -3.216 -1.922) 3.925 3.320 ( -2.869 -3.144 -4.703) 6.342 3.435 ( 0.247 -1.702 -0.052) 1.721 3.640 ( 1.362 -1.371 1.119) 2.233 3.709 ( -11.284 -10.698 -0.067) 15.550 3.827 ( 9.205 5.237 -0.848) 10.624 4.020 ( -4.555 -1.449 2.303) 5.306 4.106 ( 1.073 -6.274 -1.169) 6.472 4.259 ( -0.588 5.095 6.724) 8.457 4.314 ( -2.215 1.390 -4.086) 4.851 4.500 ( -0.401 3.268 -1.895) 3.799 4.643 ( -0.092 -3.246 2.298) 3.978 4.770 ( 1.304 5.761 -3.251) 6.743 4.873 ( 1.983 1.359 2.389) 3.389 4.951 ( 1.493 10.559 -0.061) 10.664 5.118 ( -0.611 3.504 -0.331) 3.572 5.194 ( -4.357 -2.690 -6.074) 7.945 5.539 ( 0.775 -5.092 0.341) 5.162 5.673 ( 2.515 8.704 0.111) 9.060 6.042 ( 0.365 -2.503 0.185) 2.536 6.049 ( 2.908 -1.046 2.640) 4.064 6.239 ( -1.903 -6.448 0.312) 6.730 6.348 ( -2.141 -2.638 -1.450) 3.694 6.475 ( -2.895 -2.979 0.478) 4.181 6.644 ( -3.501 -6.594 0.638) 7.493 7.026 ( 6.066 -1.153 0.012) 6.175 7.167 ( -4.349 -1.161 -0.443) 4.523 8.045 ( 11.769 1.963 7.438) 14.060 8.248 ( -1.528 -0.540 -1.765) 2.396 8.410 ( -6.481 6.043 -7.796) 11.803 8.687 ( -3.524 6.287 3.832) 8.162 9.894 ( 0.575 0.063 0.087) 0.585 10.060 ( -0.560 0.667 2.116) 2.288 10.079 ( -0.131 1.400 -2.327) 2.719 10.196 ( -0.753 0.970 0.042) 1.229 11.252 ( -2.708 1.069 -1.746) 3.395 11.519 ( 0.696 3.110 2.478) 4.037 11.701 ( -0.602 4.923 -0.120) 4.961 11.759 ( -1.827 9.895 0.200) 10.064 12.434 ( -1.199 2.100 0.172) 2.424 12.743 ( 1.838 0.741 -0.918) 2.184 12.900 ( 0.019 1.697 0.938) 1.939 13.436 ( 3.069 -6.844 1.606) 7.671 13.569 ( 1.053 -6.748 1.416) 6.975 13.807 ( -0.897 -2.775 -3.764) 4.762 14.073 ( -0.985 -1.280 1.487) 2.195 14.333 ( -0.086 -7.050 -0.431) 7.064 14.479 ( 1.174 -3.273 -0.506) 3.513 14.520 ( -0.708 -4.732 -0.397) 4.801 17.497 ( 1.474 -3.341 0.274) 3.662 17.544 ( -2.059 -3.309 -0.014) 3.897 17.676 ( 1.795 4.187 -0.572) 4.591 17.759 ( -1.224 4.962 0.117) 5.112 19.572 ( 0.140 1.000 0.236) 1.037 19.636 ( 0.144 0.890 0.709) 1.147 19.659 ( -0.484 -3.011 -0.892) 3.177 19.781 ( 0.286 -4.438 -0.351) 4.461 19.929 ( 0.494 -0.359 -0.174) 0.635 20.040 ( 0.714 -1.232 1.240) 1.888 20.072 ( -0.497 -2.069 -0.888) 2.306 20.120 ( 0.299 -3.687 -0.058) 3.699 20.228 ( -0.962 -0.796 1.101) 1.665 20.456 ( 0.661 -4.499 -1.789) 4.887 21.098 ( -0.130 -2.550 -0.495) 2.601 21.209 ( -0.385 -0.624 0.153) 0.749 21.447 ( 0.540 1.244 -0.157) 1.365 21.558 ( 0.456 0.553 0.331) 0.789 27.439 ( 0.128 0.156 -0.283) 0.348 27.452 ( 0.014 1.094 0.305) 1.136 27.507 ( 0.000 0.595 0.124) 0.608 27.543 ( 0.194 0.242 0.091) 0.324 28.364 ( -0.061 0.824 0.064) 0.829 28.386 ( 0.029 0.849 -0.133) 0.859 34.516 ( 2.162 7.822 -0.168) 8.117 34.622 ( 3.889 7.529 -0.249) 8.478 34.933 ( -2.563 10.827 0.258) 11.130 35.232 ( -6.061 6.807 0.451) 9.126 37.390 ( -0.077 13.111 0.794) 13.135 37.551 ( -1.311 14.089 -0.431) 14.157 38.055 ( -8.553 1.228 -4.123) 9.574 38.567 ( -1.911 -1.918 4.535) 5.281 39.594 ( -0.703 3.422 -1.038) 3.644 40.120 ( 0.458 -0.270 0.963) 1.100 42.184 ( 3.720 -13.317 4.615) 14.577 42.382 ( 3.363 -11.041 -1.952) 11.706 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 19.925 0.000) 19.925 1.066 ( 0.000 23.911 0.000) 23.911 1.385 ( 0.000 3.812 0.000) 3.812 1.449 ( 0.000 7.819 0.000) 7.819 1.530 ( 0.000 0.282 0.000) 0.282 1.574 ( 0.000 6.735 0.000) 6.735 1.798 ( 0.000 6.817 0.000) 6.817 1.932 ( 0.000 3.929 0.000) 3.929 2.262 ( 0.000 11.998 0.000) 11.998 2.457 ( 0.000 24.210 0.000) 24.210 2.534 ( 0.000 2.910 0.000) 2.910 2.614 ( 0.000 29.918 0.000) 29.918 2.677 ( 0.000 2.646 0.000) 2.646 2.926 ( 0.000 -2.509 0.000) 2.509 3.023 ( 0.000 8.519 0.000) 8.519 3.023 ( 0.000 11.819 0.000) 11.819 3.237 ( 0.000 -0.626 0.000) 0.626 3.275 ( 0.000 5.303 0.000) 5.303 3.327 ( 0.000 4.860 0.000) 4.860 3.455 ( 0.000 -4.861 0.000) 4.861 3.541 ( 0.000 13.582 0.000) 13.582 3.773 ( 0.000 4.569 0.000) 4.569 3.925 ( 0.000 1.821 0.000) 1.821 3.945 ( 0.000 -3.142 0.000) 3.142 4.198 ( 0.000 3.575 0.000) 3.575 4.246 ( 0.000 1.529 0.000) 1.529 4.354 ( 0.000 -2.070 0.000) 2.070 4.525 ( 0.000 -2.540 0.000) 2.540 4.546 ( 0.000 -0.039 0.000) 0.039 4.682 ( 0.000 -5.340 0.000) 5.340 4.834 ( 0.000 0.001 0.000) 0.001 5.038 ( 0.000 -10.934 0.000) 10.934 5.061 ( 0.000 6.517 0.000) 6.517 5.340 ( 0.000 -7.990 0.000) 7.990 5.415 ( 0.000 15.029 0.000) 15.029 5.610 ( 0.000 8.565 0.000) 8.565 5.821 ( 0.000 -3.516 0.000) 3.516 5.919 ( 0.000 -1.927 0.000) 1.927 6.307 ( 0.000 -6.681 0.000) 6.681 6.448 ( 0.000 -8.118 0.000) 8.118 6.558 ( 0.000 -1.615 0.000) 1.615 6.871 ( 0.000 -0.014 0.000) 0.014 6.939 ( 0.000 -10.301 0.000) 10.301 7.232 ( 0.000 -5.108 0.000) 5.108 7.802 ( 0.000 7.088 0.000) 7.088 8.248 ( 0.000 6.690 0.000) 6.690 8.586 ( 0.000 6.275 0.000) 6.275 8.919 ( 0.000 -2.439 0.000) 2.439 9.857 ( 0.000 1.679 0.000) 1.679 10.028 ( 0.000 -0.977 0.000) 0.977 10.168 ( 0.000 -1.063 0.000) 1.063 10.284 ( 0.000 -2.465 0.000) 2.465 11.355 ( 0.000 2.318 0.000) 2.318 11.525 ( 0.000 -2.460 0.000) 2.460 11.843 ( 0.000 7.318 0.000) 7.318 12.141 ( 0.000 -2.824 0.000) 2.824 12.562 ( 0.000 1.051 0.000) 1.051 12.702 ( 0.000 3.935 0.000) 3.935 12.999 ( 0.000 0.798 0.000) 0.798 13.255 ( 0.000 -2.340 0.000) 2.340 13.283 ( 0.000 -9.055 0.000) 9.055 13.438 ( 0.000 -1.721 0.000) 1.721 14.118 ( 0.000 -2.476 0.000) 2.476 14.219 ( 0.000 -6.768 0.000) 6.768 14.403 ( 0.000 -2.466 0.000) 2.466 14.428 ( 0.000 -4.289 0.000) 4.289 17.434 ( 0.000 -0.498 0.000) 0.498 17.556 ( 0.000 -2.304 0.000) 2.304 17.684 ( 0.000 0.108 0.000) 0.108 17.782 ( 0.000 1.014 0.000) 1.014 19.557 ( 0.000 -0.599 0.000) 0.599 19.614 ( 0.000 -4.901 0.000) 4.901 19.633 ( 0.000 -5.740 0.000) 5.740 19.688 ( 0.000 1.898 0.000) 1.898 19.902 ( 0.000 0.112 0.000) 0.112 19.955 ( 0.000 -2.883 0.000) 2.883 20.008 ( 0.000 -2.425 0.000) 2.425 20.096 ( 0.000 -0.898 0.000) 0.898 20.205 ( 0.000 0.780 0.000) 0.780 20.302 ( 0.000 -1.357 0.000) 1.357 21.130 ( 0.000 0.499 0.000) 0.499 21.272 ( 0.000 -3.393 0.000) 3.393 21.414 ( 0.000 -0.354 0.000) 0.354 21.441 ( 0.000 1.049 0.000) 1.049 27.420 ( 0.000 0.414 0.000) 0.414 27.437 ( 0.000 -0.101 0.000) 0.101 27.511 ( 0.000 0.798 0.000) 0.798 27.548 ( 0.000 0.890 0.000) 0.890 28.397 ( 0.000 1.217 0.000) 1.217 28.418 ( 0.000 1.525 0.000) 1.525 34.506 ( 0.000 9.592 0.000) 9.592 34.534 ( 0.000 10.088 0.000) 10.088 35.474 ( 0.000 18.969 0.000) 18.969 36.439 ( 0.000 -5.659 0.000) 5.659 38.042 ( 0.000 23.378 0.000) 23.378 38.248 ( 0.000 2.729 0.000) 2.729 39.062 ( 0.000 1.389 0.000) 1.389 39.088 ( 0.000 -3.640 0.000) 3.640 39.899 ( 0.000 -4.103 0.000) 4.103 40.104 ( 0.000 2.043 0.000) 2.043 40.736 ( 0.000 -6.540 0.000) 6.540 41.212 ( 0.000 -12.775 0.000) 12.775 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 10.114 16.963 1.059) 19.777 1.276 ( 16.270 16.976 13.018) 26.877 1.401 ( 1.853 3.265 0.485) 3.785 1.474 ( 4.260 6.539 3.048) 8.378 1.550 ( 0.426 3.355 -0.753) 3.465 1.620 ( 3.198 0.958 -0.854) 3.446 1.763 ( -1.374 5.931 -0.498) 6.109 1.967 ( 2.332 6.568 5.463) 8.855 2.217 ( -3.220 11.185 -5.974) 13.083 2.367 ( -8.553 7.818 -1.576) 11.694 2.548 ( 0.748 8.131 -2.009) 8.409 2.552 ( -0.042 19.157 -2.212) 19.285 2.710 ( -2.277 9.231 -0.877) 9.548 2.835 ( -4.046 11.629 4.687) 13.175 2.974 ( 1.477 4.318 -0.655) 4.610 3.073 ( -3.476 8.157 -1.540) 8.999 3.109 ( -5.407 5.646 -6.205) 9.980 3.313 ( -0.799 1.124 -7.605) 7.729 3.371 ( 0.845 4.910 1.649) 5.249 3.489 ( 4.496 2.273 -2.792) 5.760 3.615 ( 3.774 8.949 12.253) 15.636 3.738 ( 0.090 1.218 0.209) 1.239 3.891 ( -3.262 -7.100 2.358) 8.162 3.946 ( -1.696 6.158 -2.674) 6.925 4.151 ( -6.126 0.898 -0.806) 6.243 4.204 ( 0.854 1.685 1.147) 2.210 4.429 ( 4.573 -3.788 -0.574) 5.966 4.478 ( -2.314 -2.503 -1.963) 3.933 4.560 ( 1.128 1.459 1.689) 2.501 4.703 ( 1.062 -6.554 -0.577) 6.664 4.854 ( 2.118 1.786 3.583) 4.529 5.017 ( -0.388 -4.814 -4.686) 6.729 5.139 ( 4.576 2.946 0.095) 5.444 5.336 ( -0.452 -6.844 1.962) 7.134 5.390 ( -2.067 9.502 -4.207) 10.595 5.633 ( 3.367 7.377 -0.063) 8.109 5.915 ( 3.539 -0.019 -2.444) 4.301 5.944 ( 5.292 -0.451 2.781) 5.995 6.274 ( -3.232 -6.880 1.844) 7.821 6.396 ( -3.850 -7.308 -2.004) 8.499 6.584 ( 1.756 -1.061 1.316) 2.437 6.737 ( -8.643 -7.409 1.858) 11.534 7.012 ( 1.336 -3.218 -3.239) 4.757 7.126 ( -5.985 -1.506 -0.003) 6.171 7.857 ( 4.264 7.324 3.236) 9.072 8.211 ( -0.617 6.322 -3.305) 7.161 8.650 ( 2.101 3.119 4.602) 5.943 8.898 ( -1.274 -0.035 -2.118) 2.472 9.866 ( 0.788 1.415 0.110) 1.623 10.034 ( 0.599 -0.967 0.586) 1.280 10.150 ( -1.429 -0.504 -0.390) 1.565 10.272 ( -1.087 -1.609 -0.348) 1.972 11.375 ( 0.265 0.363 0.759) 0.882 11.516 ( 0.020 0.211 1.682) 1.696 11.838 ( -0.474 6.930 0.343) 6.955 12.146 ( -0.806 -0.420 0.045) 0.910 12.613 ( 4.056 0.573 -0.012) 4.097 12.633 ( -5.757 4.663 0.557) 7.430 12.894 ( -4.609 1.598 -0.003) 4.879 13.228 ( -0.168 -0.404 0.381) 0.580 13.307 ( 2.504 -7.361 1.624) 7.943 13.601 ( 8.377 -8.522 -2.069) 12.128 14.107 ( -1.105 -2.190 0.844) 2.594 14.212 ( -0.661 -6.726 -0.789) 6.805 14.375 ( -1.830 -3.529 -0.725) 4.041 14.434 ( 0.319 -4.727 -0.511) 4.766 17.426 ( -0.522 -1.331 0.129) 1.435 17.562 ( -0.355 -3.175 -0.089) 3.196 17.660 ( -0.290 1.804 -0.251) 1.845 17.828 ( 2.755 1.594 0.028) 3.183 19.569 ( 0.590 -0.923 1.432) 1.802 19.605 ( -1.065 -3.809 -0.220) 3.961 19.612 ( -0.190 -4.517 -0.063) 4.521 19.714 ( 0.997 -0.640 -0.678) 1.365 19.879 ( -0.784 -0.301 -0.041) 0.841 19.978 ( 1.252 -1.922 -0.304) 2.314 20.012 ( 0.306 -3.221 0.719) 3.315 20.071 ( -1.406 -0.818 0.406) 1.676 20.236 ( 1.214 -1.174 -2.020) 2.633 20.310 ( 1.304 -1.263 -0.771) 1.972 21.108 ( -1.771 0.131 0.691) 1.905 21.246 ( -1.863 -2.225 -0.773) 3.003 21.416 ( 0.958 0.412 -0.647) 1.228 21.489 ( 2.950 -0.400 0.109) 2.979 27.433 ( 0.977 -0.100 0.570) 1.135 27.438 ( 0.246 0.289 -0.305) 0.487 27.514 ( 0.225 0.656 -0.026) 0.694 27.548 ( 0.054 0.931 0.003) 0.932 28.394 ( -0.227 1.314 0.287) 1.364 28.415 ( -0.267 1.502 -0.285) 1.552 34.540 ( 3.245 9.384 0.051) 9.929 34.574 ( 3.773 10.484 -0.295) 11.146 35.434 ( -3.932 18.545 2.270) 19.093 36.188 ( -21.041 2.782 -8.102) 22.718 37.971 ( -7.865 23.504 -2.438) 24.905 38.096 ( -9.301 13.839 -5.691) 17.619 38.755 ( -16.015 2.114 15.093) 22.107 38.878 ( -19.051 -2.658 -0.917) 19.258 39.804 ( -5.752 2.025 -2.328) 6.527 40.090 ( -0.286 1.765 3.039) 3.526 41.094 ( 24.938 -18.649 4.992) 31.537 41.588 ( 24.091 -17.864 1.642) 30.036 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 9.562 13.098 1.110) 16.255 1.441 ( 2.324 0.967 2.852) 3.804 1.500 ( 2.973 4.101 -1.825) 5.384 1.519 ( -0.633 7.761 -5.423) 9.489 1.628 ( -1.156 -2.015 0.775) 2.449 1.741 ( 12.093 5.303 7.075) 14.981 1.881 ( 15.287 7.054 13.212) 21.401 2.024 ( 2.294 9.278 6.710) 11.677 2.115 ( -4.359 11.053 -11.213) 16.337 2.272 ( -0.676 2.358 -2.467) 3.479 2.452 ( -6.362 1.872 -7.329) 9.884 2.585 ( 0.220 6.427 2.396) 6.863 2.659 ( -0.654 9.800 1.149) 9.889 2.828 ( 1.476 4.584 1.652) 5.091 2.979 ( -5.671 11.664 -3.079) 13.330 3.004 ( 0.217 13.332 1.304) 13.397 3.023 ( 0.529 6.980 -0.690) 7.034 3.244 ( -2.720 3.399 -7.051) 8.287 3.392 ( -2.145 5.362 0.440) 5.792 3.495 ( -1.900 -0.642 1.009) 2.245 3.638 ( -6.671 -10.127 3.045) 12.503 3.770 ( 1.755 1.905 -1.614) 3.052 3.844 ( -2.107 8.797 -3.212) 9.599 3.887 ( 0.671 -1.619 5.165) 5.454 4.048 ( -2.221 -0.787 -1.462) 2.773 4.245 ( 2.037 -1.991 2.798) 3.992 4.420 ( -4.012 -1.764 3.680) 5.723 4.512 ( 3.904 -0.800 -2.203) 4.553 4.629 ( 5.142 4.155 -0.980) 6.683 4.731 ( 2.091 -5.181 -0.317) 5.596 4.919 ( 2.965 4.529 2.742) 6.068 4.986 ( -1.983 -6.734 -2.273) 7.379 5.217 ( 2.705 4.932 -6.224) 8.389 5.268 ( -4.773 3.045 -1.028) 5.754 5.403 ( 2.445 -3.616 0.778) 4.434 5.727 ( 4.493 4.675 0.844) 6.539 5.963 ( 1.765 -0.819 -0.881) 2.136 6.043 ( 1.961 4.185 2.599) 5.302 6.212 ( -1.423 -2.877 0.599) 3.265 6.328 ( -2.048 -4.615 -1.185) 5.186 6.521 ( -7.865 -5.824 -0.670) 9.810 6.640 ( -2.186 -2.085 1.578) 3.408 6.915 ( -2.485 -0.594 -2.791) 3.784 7.135 ( 1.499 -3.720 1.236) 4.196 7.956 ( 4.875 6.127 4.125) 8.850 8.246 ( 2.791 3.631 -0.074) 4.580 8.618 ( -3.934 2.896 -2.120) 5.325 8.879 ( -0.963 5.694 0.220) 5.779 9.886 ( 0.967 0.948 0.239) 1.375 10.053 ( 1.057 -0.761 1.626) 2.083 10.117 ( -1.564 0.181 -1.241) 2.005 10.241 ( -1.771 -0.470 -0.573) 1.920 11.337 ( -2.984 0.259 -2.348) 3.806 11.549 ( 2.299 3.258 3.917) 5.590 11.826 ( -0.682 6.064 0.147) 6.104 12.072 ( -5.498 7.000 -0.107) 8.902 12.526 ( -3.436 3.107 0.929) 4.725 12.708 ( 4.046 1.409 -0.322) 4.296 12.887 ( 2.660 0.128 0.103) 2.666 13.240 ( 1.125 -3.209 0.443) 3.429 13.366 ( 2.375 -9.137 2.344) 9.727 13.703 ( 2.214 -7.895 -3.078) 8.758 14.075 ( -1.886 -1.745 1.406) 2.929 14.193 ( -0.899 -6.948 -0.905) 7.064 14.352 ( -0.104 -5.639 -0.073) 5.640 14.433 ( -0.469 -5.759 -1.067) 5.876 17.421 ( 0.073 -2.430 0.133) 2.434 17.524 ( -2.564 -3.763 -0.050) 4.554 17.698 ( 3.186 3.628 -0.435) 4.848 17.863 ( 0.524 3.100 0.068) 3.144 19.568 ( -0.186 -2.034 0.486) 2.100 19.603 ( -0.339 -2.557 0.542) 2.636 19.616 ( 0.984 -3.928 -0.159) 4.053 19.708 ( -1.191 -1.740 -0.942) 2.309 19.890 ( 1.439 -1.089 0.058) 1.806 19.995 ( 0.413 -1.220 0.127) 1.295 20.017 ( -0.049 -4.225 0.332) 4.238 20.054 ( -0.284 -1.689 0.201) 1.724 20.230 ( -1.061 -1.114 0.839) 1.753 20.351 ( 2.210 -2.243 -2.927) 4.300 21.073 ( -1.435 -0.840 0.723) 1.813 21.210 ( -1.369 -1.303 -0.592) 1.980 21.444 ( 1.453 0.467 -0.492) 1.604 21.538 ( 1.602 -0.765 0.299) 1.801 27.439 ( 0.154 -0.060 -0.227) 0.281 27.459 ( 0.957 0.450 0.482) 1.163 27.518 ( 0.155 0.589 0.033) 0.610 27.550 ( 0.103 0.814 -0.027) 0.821 28.390 ( -0.167 1.422 0.322) 1.468 28.410 ( -0.166 1.386 -0.350) 1.440 34.632 ( 5.177 10.394 -0.395) 11.618 34.680 ( 6.245 10.441 0.140) 12.167 35.326 ( -6.246 17.438 2.635) 18.710 35.721 ( -20.338 10.391 -5.382) 23.464 37.789 ( -6.556 20.256 -0.116) 21.290 37.967 ( -4.354 19.128 -0.103) 19.617 38.390 ( -19.320 -0.281 -6.908) 20.520 38.599 ( -7.037 -1.601 10.591) 12.816 39.722 ( -2.166 5.762 -2.265) 6.559 40.107 ( 1.157 1.380 2.779) 3.312 41.563 ( 18.555 -21.419 3.547) 28.559 41.957 ( 10.826 -19.126 0.711) 21.989 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 2.053 11.382 0.280) 11.569 1.475 ( 0.762 -0.764 -2.041) 2.309 1.482 ( 1.549 -0.151 0.304) 1.586 1.573 ( -0.035 2.910 0.295) 2.925 1.604 ( -0.188 7.260 0.565) 7.284 1.934 ( 8.285 5.435 0.899) 9.950 2.017 ( -0.825 10.603 -1.987) 10.820 2.090 ( 0.709 13.445 3.642) 13.948 2.153 ( -3.168 0.552 -0.858) 3.328 2.239 ( 0.449 1.275 0.447) 1.424 2.422 ( 7.850 4.280 -0.514) 8.956 2.642 ( 2.390 0.429 1.783) 3.013 2.663 ( 2.702 7.642 3.218) 8.721 2.820 ( -5.931 18.289 -5.867) 20.102 2.903 ( 3.541 -7.884 0.991) 8.699 3.024 ( -0.045 16.382 -0.588) 16.392 3.082 ( 4.247 3.663 3.902) 6.832 3.191 ( -2.770 -4.449 -2.846) 5.964 3.278 ( -8.189 -5.204 -1.290) 9.788 3.346 ( -7.578 0.749 0.676) 7.645 3.532 ( -1.282 -5.122 0.867) 5.350 3.711 ( -4.987 7.264 -1.750) 8.983 3.884 ( 5.238 -0.628 -5.379) 7.534 3.963 ( 2.753 -1.504 4.299) 5.322 4.045 ( 0.675 1.925 0.437) 2.086 4.275 ( 0.469 -5.276 1.874) 5.618 4.325 ( -4.141 1.198 1.937) 4.726 4.581 ( 2.111 4.387 -0.867) 4.945 4.722 ( 2.953 8.792 -0.336) 9.280 4.775 ( 1.536 -5.351 -0.471) 5.587 4.912 ( -1.692 -0.924 -1.354) 2.356 5.015 ( 3.252 -6.318 3.347) 7.854 5.152 ( -4.474 -0.493 -2.452) 5.126 5.264 ( 1.267 12.592 -3.229) 13.061 5.444 ( 1.066 -4.035 0.925) 4.275 5.794 ( 1.779 0.478 0.428) 1.891 5.926 ( -3.049 -4.272 -1.163) 5.376 6.119 ( 4.044 9.871 3.876) 11.349 6.219 ( 1.745 0.017 -0.352) 1.780 6.288 ( -2.866 -2.214 -1.778) 4.034 6.393 ( -3.166 -4.340 -1.002) 5.464 6.549 ( -4.040 -0.513 1.030) 4.201 6.985 ( 6.744 -2.814 -0.749) 7.346 7.110 ( -4.193 -3.728 0.357) 5.622 8.082 ( 6.983 1.589 2.920) 7.734 8.231 ( -5.260 -1.047 0.145) 5.365 8.577 ( 0.775 9.970 -2.952) 10.426 8.847 ( -1.688 9.162 0.750) 9.346 9.902 ( 0.448 0.612 0.119) 0.768 10.072 ( 0.121 0.247 2.597) 2.612 10.095 ( -0.002 0.015 -2.517) 2.517 10.206 ( -1.188 -0.234 -0.184) 1.225 11.283 ( -1.474 2.037 -1.274) 2.818 11.595 ( 1.371 4.085 1.808) 4.673 11.810 ( -0.679 5.403 -0.190) 5.449 11.979 ( -2.593 10.269 0.061) 10.592 12.483 ( -1.053 2.563 0.364) 2.795 12.770 ( 1.720 2.026 -0.436) 2.694 12.942 ( 1.670 2.138 0.429) 2.746 13.268 ( 1.116 -9.051 -0.057) 9.120 13.396 ( 0.355 -9.841 1.494) 9.960 13.720 ( 0.267 -5.779 -1.857) 6.076 14.043 ( -1.046 -1.606 0.810) 2.081 14.179 ( -0.353 -7.470 -0.360) 7.487 14.365 ( 0.999 -7.424 0.450) 7.504 14.414 ( -1.041 -5.715 -0.867) 5.873 17.431 ( 0.870 -3.207 0.095) 3.324 17.475 ( -1.884 -3.385 -0.089) 3.875 17.763 ( 2.486 4.105 -0.185) 4.803 17.854 ( -1.056 4.192 0.053) 4.324 19.572 ( 0.391 -3.696 -0.180) 3.721 19.593 ( -0.517 -0.659 0.644) 1.057 19.642 ( 1.491 -3.140 -0.282) 3.487 19.676 ( -1.678 -3.200 -0.327) 3.629 19.919 ( 0.969 -0.774 0.019) 1.240 20.000 ( 0.124 -2.453 0.584) 2.525 20.011 ( -0.386 -3.742 -0.402) 3.784 20.053 ( 0.044 -2.298 0.106) 2.301 20.212 ( -0.551 -0.668 0.560) 1.031 20.381 ( 0.822 -2.517 -1.264) 2.934 21.054 ( -0.507 -1.658 0.319) 1.763 21.191 ( -0.469 -1.067 -0.198) 1.182 21.467 ( 0.691 0.547 -0.195) 0.903 21.557 ( 0.327 -0.813 0.203) 0.899 27.442 ( 0.112 0.086 -0.133) 0.194 27.471 ( 0.205 0.537 0.227) 0.618 27.522 ( 0.191 0.911 0.049) 0.932 27.551 ( -0.018 0.480 -0.033) 0.481 28.388 ( -0.046 1.461 0.128) 1.467 28.407 ( -0.032 1.284 -0.143) 1.292 34.725 ( 3.023 12.147 -0.367) 12.523 34.811 ( 5.013 10.718 0.297) 11.837 35.215 ( -3.640 16.130 1.142) 16.575 35.397 ( -9.411 9.212 -1.553) 13.260 37.711 ( -1.525 16.932 0.664) 17.013 37.904 ( -1.612 19.843 0.463) 19.914 38.091 ( -7.683 2.395 -3.946) 8.963 38.515 ( -2.147 -3.107 3.404) 5.084 39.695 ( -0.495 6.536 -0.923) 6.620 40.129 ( 0.562 1.592 1.099) 2.015 41.845 ( 7.775 -19.405 2.072) 21.007 42.069 ( 1.294 -19.419 -0.861) 19.481 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 13.667 0.000) 13.667 1.376 ( 0.000 2.885 0.000) 2.885 1.546 ( 0.000 5.156 0.000) 5.156 1.587 ( 0.000 17.336 0.000) 17.336 1.587 ( 0.000 6.271 0.000) 6.271 1.672 ( 0.000 3.726 0.000) 3.726 1.939 ( 0.000 6.893 0.000) 6.893 2.021 ( 0.000 4.174 0.000) 4.174 2.504 ( 0.000 7.211 0.000) 7.211 2.605 ( 0.000 7.045 0.000) 7.045 2.737 ( 0.000 6.984 0.000) 6.984 2.747 ( 0.000 3.463 0.000) 3.463 2.912 ( 0.000 3.298 0.000) 3.298 3.017 ( 0.000 13.703 0.000) 13.703 3.158 ( 0.000 1.272 0.000) 1.272 3.220 ( 0.000 2.484 0.000) 2.484 3.335 ( 0.000 -2.258 0.000) 2.258 3.338 ( 0.000 9.410 0.000) 9.410 3.476 ( 0.000 5.452 0.000) 5.452 3.536 ( 0.000 19.489 0.000) 19.489 3.777 ( 0.000 5.354 0.000) 5.354 3.865 ( 0.000 4.982 0.000) 4.982 3.912 ( 0.000 -4.506 0.000) 4.506 3.967 ( 0.000 9.616 0.000) 9.616 4.272 ( 0.000 -1.552 0.000) 1.552 4.308 ( 0.000 4.221 0.000) 4.221 4.351 ( 0.000 5.574 0.000) 5.574 4.456 ( 0.000 -12.593 0.000) 12.593 4.477 ( 0.000 -1.389 0.000) 1.389 4.563 ( 0.000 -0.039 0.000) 0.039 4.797 ( 0.000 -3.004 0.000) 3.004 4.840 ( 0.000 -9.214 0.000) 9.214 5.178 ( 0.000 3.073 0.000) 3.073 5.215 ( 0.000 -4.437 0.000) 4.437 5.513 ( 0.000 -3.892 0.000) 3.892 5.752 ( 0.000 -2.762 0.000) 2.762 5.775 ( 0.000 7.052 0.000) 7.052 6.059 ( 0.000 12.556 0.000) 12.556 6.144 ( 0.000 -8.256 0.000) 8.256 6.338 ( 0.000 0.981 0.000) 0.981 6.548 ( 0.000 0.102 0.000) 0.102 6.781 ( 0.000 -4.877 0.000) 4.877 6.807 ( 0.000 -5.348 0.000) 5.348 7.125 ( 0.000 -5.596 0.000) 5.596 7.998 ( 0.000 10.999 0.000) 10.999 8.374 ( 0.000 5.587 0.000) 5.587 8.687 ( 0.000 3.812 0.000) 3.812 8.880 ( 0.000 -1.794 0.000) 1.794 9.885 ( 0.000 0.863 0.000) 0.863 9.993 ( 0.000 -2.380 0.000) 2.380 10.148 ( 0.000 -0.949 0.000) 0.949 10.218 ( 0.000 -3.914 0.000) 3.914 11.390 ( 0.000 1.069 0.000) 1.069 11.518 ( 0.000 1.602 0.000) 1.602 11.969 ( 0.000 5.039 0.000) 5.039 12.106 ( 0.000 -0.596 0.000) 0.596 12.605 ( 0.000 2.930 0.000) 2.930 12.771 ( 0.000 2.888 0.000) 2.888 12.934 ( 0.000 -5.582 0.000) 5.582 13.095 ( 0.000 -9.210 0.000) 9.210 13.274 ( 0.000 2.888 0.000) 2.888 13.407 ( 0.000 -1.154 0.000) 1.154 14.062 ( 0.000 -2.798 0.000) 2.798 14.084 ( 0.000 -6.417 0.000) 6.417 14.325 ( 0.000 -5.613 0.000) 5.613 14.345 ( 0.000 -3.264 0.000) 3.264 17.417 ( 0.000 -1.085 0.000) 1.085 17.511 ( 0.000 -2.119 0.000) 2.119 17.695 ( 0.000 0.912 0.000) 0.912 17.795 ( 0.000 0.279 0.000) 0.279 19.521 ( 0.000 -4.077 0.000) 4.077 19.526 ( 0.000 -4.737 0.000) 4.737 19.544 ( 0.000 -0.546 0.000) 0.546 19.692 ( 0.000 -1.473 0.000) 1.473 19.881 ( 0.000 -1.566 0.000) 1.566 19.900 ( 0.000 -2.510 0.000) 2.510 20.006 ( 0.000 1.711 0.000) 1.711 20.076 ( 0.000 -1.028 0.000) 1.028 20.219 ( 0.000 0.616 0.000) 0.616 20.281 ( 0.000 -0.856 0.000) 0.856 21.134 ( 0.000 0.017 0.000) 0.017 21.210 ( 0.000 -2.663 0.000) 2.663 21.405 ( 0.000 -0.438 0.000) 0.438 21.458 ( 0.000 0.542 0.000) 0.542 27.427 ( 0.000 0.323 0.000) 0.323 27.436 ( 0.000 0.012 0.000) 0.012 27.525 ( 0.000 0.591 0.000) 0.591 27.559 ( 0.000 0.258 0.000) 0.258 28.421 ( 0.000 1.167 0.000) 1.167 28.445 ( 0.000 1.026 0.000) 1.026 34.707 ( 0.000 9.829 0.000) 9.829 34.744 ( 0.000 10.306 0.000) 10.306 35.835 ( 0.000 16.189 0.000) 16.189 36.362 ( 0.000 -2.444 0.000) 2.444 38.312 ( 0.000 3.581 0.000) 3.581 38.457 ( 0.000 17.701 0.000) 17.701 38.967 ( 0.000 -7.946 0.000) 7.946 39.086 ( 0.000 0.803 0.000) 0.803 39.887 ( 0.000 2.945 0.000) 2.945 40.167 ( 0.000 4.344 0.000) 4.344 40.579 ( 0.000 -8.973 0.000) 8.973 40.941 ( 0.000 -13.805 0.000) 13.805 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 6.180 11.347 1.183) 12.975 1.404 ( 1.920 0.537 0.782) 2.142 1.529 ( -0.160 4.862 -1.493) 5.089 1.616 ( 1.362 3.423 2.120) 4.250 1.664 ( 1.409 7.370 -2.727) 7.984 1.713 ( 8.775 13.471 9.175) 18.511 1.916 ( -0.693 8.787 -0.683) 8.841 2.063 ( 3.226 2.972 1.745) 4.721 2.434 ( -6.247 9.183 -1.046) 11.156 2.479 ( -9.926 6.275 0.501) 11.754 2.694 ( -5.086 7.604 -5.315) 10.580 2.729 ( -1.748 0.117 1.822) 2.528 2.823 ( -0.659 6.793 0.242) 6.829 3.014 ( -10.014 5.608 -7.563) 13.745 3.068 ( -1.792 3.412 -2.448) 4.566 3.158 ( -3.480 -0.868 2.485) 4.363 3.333 ( 3.584 13.128 -1.892) 13.739 3.401 ( 1.190 1.307 2.195) 2.819 3.550 ( -0.300 -0.123 3.194) 3.211 3.580 ( 1.112 10.460 -0.492) 10.531 3.735 ( -6.989 5.258 -2.994) 9.245 3.765 ( 0.090 1.581 -1.277) 2.035 3.863 ( -1.549 10.682 7.998) 13.434 4.063 ( 4.458 2.739 -0.160) 5.235 4.228 ( -6.682 6.179 -1.081) 9.165 4.270 ( -2.403 4.263 0.030) 4.894 4.358 ( 1.970 -2.466 -1.385) 3.447 4.407 ( -3.154 -3.906 0.462) 5.041 4.485 ( 1.915 -10.876 2.855) 11.406 4.629 ( 5.971 3.328 -3.170) 7.535 4.787 ( 0.076 -7.921 -1.963) 8.161 4.900 ( 3.437 -4.007 0.356) 5.291 5.196 ( 0.548 -2.969 -3.910) 4.940 5.260 ( 4.182 0.061 7.267) 8.385 5.474 ( -2.844 0.273 -2.129) 3.563 5.731 ( 1.094 2.742 3.507) 4.584 5.919 ( 6.877 -1.524 -4.812) 8.530 6.013 ( -1.336 1.244 -0.010) 1.826 6.171 ( 1.101 -0.438 1.125) 1.634 6.333 ( 0.795 5.965 -1.721) 6.260 6.557 ( -4.268 -2.950 1.537) 5.411 6.618 ( -2.534 -1.697 1.799) 3.541 6.935 ( 3.273 -3.807 -3.952) 6.390 7.085 ( -2.464 -2.622 1.241) 3.806 8.034 ( 2.398 9.248 2.930) 9.993 8.321 ( -2.675 4.089 -2.343) 5.419 8.712 ( 0.428 3.206 0.961) 3.374 8.919 ( 3.997 1.748 -0.692) 4.417 9.891 ( 0.541 0.881 0.295) 1.075 10.000 ( 0.669 -2.340 0.822) 2.569 10.138 ( -0.860 -0.717 -0.336) 1.169 10.216 ( -0.247 -3.751 -0.520) 3.795 11.384 ( -0.839 0.631 -0.887) 1.374 11.547 ( 2.608 2.394 2.105) 4.119 11.957 ( -1.139 4.807 0.596) 4.976 12.121 ( 1.231 -1.138 -0.874) 1.891 12.647 ( 3.505 2.494 -0.586) 4.342 12.717 ( -4.943 3.499 1.198) 6.173 12.887 ( -2.370 -1.956 0.227) 3.082 13.108 ( 1.337 -10.173 -0.800) 10.292 13.266 ( -0.746 2.365 -0.098) 2.482 13.477 ( 4.814 -4.110 0.544) 6.353 14.055 ( -0.659 -2.933 -0.021) 3.006 14.082 ( -0.178 -5.718 0.038) 5.721 14.299 ( -2.539 -4.218 -0.880) 5.001 14.329 ( -1.006 -5.260 0.224) 5.360 17.397 ( -1.380 -1.436 -0.082) 1.994 17.499 ( -1.543 -2.921 0.160) 3.307 17.704 ( 1.797 2.292 -0.309) 2.929 17.845 ( 3.500 0.224 0.008) 3.507 19.512 ( -0.963 -4.225 -0.145) 4.335 19.517 ( -0.190 -4.080 0.075) 4.085 19.559 ( 0.938 -0.989 0.817) 1.589 19.691 ( -0.217 -2.029 -0.902) 2.231 19.869 ( -0.397 -0.632 0.013) 0.746 19.918 ( 1.039 -3.114 0.212) 3.290 20.003 ( -0.362 1.320 0.294) 1.400 20.056 ( -1.442 -0.721 -0.022) 1.612 20.226 ( 0.112 -0.075 -0.187) 0.230 20.291 ( 1.144 -0.744 -0.491) 1.450 21.110 ( -2.097 0.058 1.301) 2.468 21.202 ( -0.705 -2.055 -1.094) 2.433 21.418 ( 1.167 -0.200 -0.619) 1.336 21.480 ( 1.726 -0.450 0.485) 1.849 27.431 ( 0.286 0.020 0.063) 0.294 27.446 ( 0.889 0.284 -0.070) 0.936 27.525 ( 0.019 0.462 0.006) 0.462 27.560 ( 0.125 0.306 0.042) 0.333 28.420 ( -0.104 1.219 0.128) 1.230 28.442 ( -0.239 1.095 -0.166) 1.134 34.738 ( 3.194 9.831 0.253) 10.340 34.789 ( 3.985 10.215 -0.242) 10.968 35.787 ( -4.652 15.842 2.118) 16.646 36.219 ( -12.781 0.972 -4.044) 13.441 38.253 ( -5.321 6.441 -2.401) 8.693 38.417 ( -3.616 17.112 -0.575) 17.499 38.754 ( -17.308 -3.517 -2.038) 17.779 38.859 ( -16.333 2.018 5.919) 17.489 39.877 ( -0.801 5.233 -1.577) 5.524 40.152 ( -0.879 4.373 3.549) 5.699 40.776 ( 17.813 -13.674 0.325) 22.459 41.224 ( 19.109 -18.103 0.067) 26.323 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 5.304 5.731 -1.210) 7.902 1.442 ( 1.613 -0.501 0.712) 1.833 1.540 ( -0.552 3.503 -0.539) 3.587 1.610 ( -1.546 1.071 2.097) 2.817 1.687 ( 3.327 6.540 -4.242) 8.475 1.888 ( 5.151 8.743 3.968) 10.896 2.049 ( 12.739 8.903 8.074) 17.514 2.135 ( 3.280 1.908 1.498) 4.080 2.258 ( -8.136 3.320 -0.404) 8.797 2.347 ( -2.508 5.119 -1.772) 5.969 2.549 ( -6.890 8.812 -6.522) 12.949 2.705 ( -2.725 4.829 -0.255) 5.551 2.802 ( -1.955 5.832 1.700) 6.382 2.843 ( -2.842 2.915 -0.422) 4.093 3.040 ( -0.771 -1.939 -0.145) 2.092 3.090 ( -3.512 -1.628 0.861) 3.966 3.318 ( -15.224 -14.417 -0.539) 20.974 3.344 ( -2.857 16.840 -2.761) 17.302 3.429 ( 0.974 -1.485 0.037) 1.776 3.520 ( -6.516 7.871 -1.629) 10.347 3.656 ( -2.996 13.404 1.922) 13.869 3.824 ( 1.709 2.720 -1.686) 3.628 3.895 ( 4.691 7.424 2.090) 9.027 4.061 ( -6.465 8.131 -1.264) 10.465 4.130 ( 1.003 6.253 -0.166) 6.335 4.200 ( -2.760 1.590 -0.211) 3.192 4.344 ( -2.496 -5.963 1.941) 6.749 4.448 ( 5.386 -6.119 1.739) 8.335 4.565 ( 4.436 -8.570 5.327) 11.022 4.764 ( 4.517 0.221 -3.379) 5.645 4.790 ( 1.849 -2.430 -3.763) 4.846 4.951 ( 1.519 -1.684 -1.268) 2.598 5.180 ( -2.155 -4.936 -1.060) 5.489 5.335 ( 1.215 -3.974 2.491) 4.845 5.449 ( 1.582 8.361 0.580) 8.529 5.760 ( 0.208 0.187 -0.089) 0.293 5.925 ( -0.353 -1.608 1.534) 2.250 6.070 ( 1.505 -5.440 0.279) 5.651 6.230 ( 4.677 -0.184 -5.208) 7.002 6.356 ( -1.503 8.071 3.498) 8.924 6.420 ( -2.054 2.448 -0.143) 3.198 6.676 ( 2.764 4.487 -0.042) 5.270 6.892 ( -3.108 -1.014 -2.774) 4.288 7.087 ( 0.715 -0.768 0.870) 1.363 8.070 ( 1.068 4.966 1.837) 5.402 8.284 ( -2.076 0.163 1.305) 2.458 8.722 ( 1.951 7.226 -1.998) 7.747 9.003 ( 3.086 6.231 -0.047) 6.954 9.904 ( 0.612 0.791 0.349) 1.059 10.023 ( 1.402 -2.154 1.616) 3.036 10.114 ( -1.301 -0.463 -1.019) 1.716 10.203 ( -0.965 -3.116 -0.660) 3.328 11.356 ( -1.471 1.460 -1.748) 2.711 11.614 ( 3.149 2.929 2.813) 5.139 11.927 ( -1.641 3.861 0.193) 4.199 12.137 ( 0.012 0.568 -0.935) 1.094 12.595 ( -4.732 3.309 1.727) 6.027 12.747 ( 4.549 2.342 -0.814) 5.181 12.885 ( 2.123 -0.324 0.073) 2.148 13.130 ( 0.111 -10.733 -0.031) 10.734 13.244 ( -1.179 0.218 0.416) 1.269 13.558 ( 2.688 -6.216 -0.419) 6.785 14.035 ( -1.136 -2.382 -0.078) 2.640 14.073 ( -0.828 -4.776 0.049) 4.847 14.243 ( -2.192 -4.984 -0.116) 5.446 14.308 ( -0.948 -6.389 -0.475) 6.477 17.374 ( -0.674 -2.104 -0.029) 2.210 17.454 ( -2.351 -3.154 0.021) 3.934 17.766 ( 3.651 3.059 -0.255) 4.770 17.904 ( 1.861 1.075 0.026) 2.150 19.493 ( -0.692 -4.053 -0.339) 4.126 19.519 ( 0.342 -4.531 0.242) 4.550 19.576 ( 0.538 -1.100 0.786) 1.455 19.676 ( -1.080 -1.991 -0.888) 2.433 19.874 ( 0.807 -0.466 0.027) 0.932 19.934 ( 0.456 -3.343 0.271) 3.385 19.993 ( -0.502 0.552 0.226) 0.779 20.031 ( -0.917 -0.783 -0.086) 1.209 20.217 ( -0.772 -0.274 0.690) 1.072 20.322 ( 1.664 -1.006 -1.430) 2.414 21.065 ( -2.088 -0.064 1.498) 2.571 21.184 ( -0.759 -1.207 -1.153) 1.834 21.446 ( 1.402 -0.192 -0.480) 1.495 21.514 ( 1.278 -1.423 0.425) 1.959 27.438 ( 0.386 0.077 -0.183) 0.434 27.466 ( 0.833 0.230 0.190) 0.884 27.528 ( 0.272 0.363 0.045) 0.456 27.562 ( -0.023 0.312 0.011) 0.313 28.418 ( -0.087 1.296 0.123) 1.305 28.437 ( -0.199 1.202 -0.163) 1.229 34.839 ( 6.277 9.964 -0.225) 11.778 34.895 ( 6.010 10.118 0.397) 11.775 35.660 ( -7.368 14.995 2.719) 16.927 35.889 ( -16.833 6.808 -4.320) 18.665 38.115 ( -6.812 11.590 -0.964) 13.478 38.311 ( -7.328 10.622 -2.682) 13.181 38.414 ( -11.811 6.433 -1.241) 13.506 38.577 ( -10.180 -0.275 5.496) 11.572 39.858 ( -0.676 7.651 -1.957) 7.926 40.166 ( 1.420 4.558 3.388) 5.854 41.166 ( 17.551 -17.908 0.543) 25.080 41.543 ( 10.288 -21.344 0.068) 23.695 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.918 -0.677 -0.367) 1.199 1.487 ( 0.174 0.934 -1.120) 1.468 1.499 ( 1.992 4.561 -1.851) 5.310 1.569 ( -2.934 2.167 3.067) 4.766 1.785 ( 3.848 6.929 -1.317) 8.035 2.022 ( 5.823 3.885 3.763) 7.948 2.127 ( -3.361 -0.980 -3.327) 4.830 2.160 ( 0.929 2.953 -0.083) 3.096 2.265 ( 2.600 2.816 1.879) 4.268 2.387 ( 5.812 5.192 0.297) 7.799 2.450 ( 0.001 8.492 -4.221) 9.484 2.601 ( -7.600 -3.657 3.055) 8.970 2.769 ( -1.040 -0.862 0.080) 1.353 2.886 ( 4.601 8.366 3.969) 10.340 2.942 ( -10.050 -12.357 1.299) 15.981 3.062 ( 2.970 -1.118 2.745) 4.196 3.097 ( -2.548 -4.064 -1.790) 5.120 3.225 ( -7.331 13.848 -5.262) 16.529 3.436 ( -0.694 -2.901 0.042) 2.983 3.444 ( -0.695 15.765 -3.604) 16.187 3.546 ( -4.972 9.643 2.152) 11.061 3.835 ( 0.789 -0.980 -0.073) 1.261 3.949 ( -3.627 15.152 0.466) 15.587 4.008 ( 3.786 4.077 -2.182) 5.976 4.153 ( 0.839 6.237 -0.002) 6.294 4.171 ( -0.302 -2.696 0.474) 2.754 4.301 ( -1.604 -4.041 1.747) 4.686 4.570 ( 5.176 -8.534 0.392) 9.989 4.643 ( 2.463 -6.151 7.081) 9.698 4.730 ( -3.708 -7.470 -4.594) 9.521 4.890 ( 4.376 3.616 -1.787) 5.951 4.957 ( -1.197 -1.358 -2.985) 3.490 5.124 ( -1.977 -1.828 1.795) 3.236 5.354 ( 0.993 -4.406 -1.684) 4.820 5.484 ( 0.569 7.053 2.414) 7.477 5.744 ( -0.682 -3.950 -0.957) 4.121 5.942 ( 0.576 4.344 1.769) 4.726 6.109 ( 2.666 -6.547 1.255) 7.180 6.206 ( -3.476 -5.706 -3.193) 7.405 6.395 ( 3.363 11.328 4.209) 12.544 6.430 ( 0.453 7.376 -3.478) 8.167 6.639 ( -3.670 8.930 -0.501) 9.668 6.946 ( 6.407 0.033 -0.149) 6.408 7.060 ( -3.647 -0.409 -0.045) 3.670 8.105 ( 2.268 0.677 0.606) 2.443 8.213 ( -3.979 -0.613 0.766) 4.099 8.784 ( 2.683 10.218 -0.846) 10.598 9.035 ( 0.338 9.272 -0.061) 9.278 9.914 ( 0.256 0.590 0.148) 0.660 10.057 ( 1.539 -1.717 2.459) 3.370 10.087 ( -1.139 -0.728 -2.292) 2.661 10.180 ( -0.898 -2.294 -0.201) 2.471 11.330 ( -0.653 2.530 -0.861) 2.751 11.667 ( 1.477 2.952 1.285) 3.542 11.897 ( -0.952 3.139 -0.124) 3.283 12.125 ( -0.568 4.127 -0.368) 4.182 12.533 ( -1.431 2.519 0.825) 3.012 12.819 ( 1.997 2.372 -0.336) 3.119 12.958 ( 3.983 -1.251 -0.005) 4.175 13.095 ( -2.994 -8.535 -0.076) 9.045 13.231 ( -0.169 -4.368 0.540) 4.404 13.592 ( 0.770 -6.612 -0.469) 6.673 14.014 ( -0.701 -1.268 -0.015) 1.449 14.055 ( -0.578 -4.707 -0.014) 4.742 14.217 ( -0.469 -6.902 0.157) 6.920 14.293 ( -0.441 -6.166 -0.329) 6.191 17.370 ( 0.169 -2.818 0.012) 2.823 17.414 ( -1.307 -2.692 -0.030) 2.993 17.832 ( 2.231 2.784 -0.093) 3.569 17.920 ( -0.123 2.372 0.020) 2.375 19.484 ( -0.165 -4.175 -0.192) 4.183 19.528 ( 0.338 -5.253 0.160) 5.266 19.582 ( 0.073 -1.008 0.220) 1.035 19.655 ( -0.661 -1.213 -0.271) 1.408 19.894 ( 0.776 -1.343 -0.046) 1.552 19.937 ( -0.096 -2.895 0.223) 2.905 19.986 ( -0.217 0.578 0.037) 0.619 20.017 ( -0.338 -1.556 -0.046) 1.593 20.204 ( -0.405 -0.156 0.375) 0.573 20.347 ( 0.724 -1.198 -0.717) 1.573 21.035 ( -0.846 -0.325 0.676) 1.131 21.172 ( -0.306 -0.767 -0.479) 0.955 21.468 ( 0.667 -0.327 -0.186) 0.766 21.530 ( 0.310 -1.664 0.185) 1.702 27.445 ( 0.216 0.231 -0.138) 0.345 27.476 ( 0.145 0.131 0.141) 0.241 27.537 ( 0.503 0.464 0.062) 0.687 27.559 ( -0.270 0.211 -0.034) 0.344 28.417 ( -0.025 1.323 0.039) 1.324 28.434 ( -0.057 1.255 -0.053) 1.257 34.961 ( 4.116 10.741 -0.707) 11.525 35.022 ( 5.154 9.793 1.041) 11.115 35.527 ( -4.126 13.990 1.472) 14.660 35.586 ( -10.061 9.542 -2.168) 14.035 38.009 ( -2.716 12.298 0.179) 12.595 38.139 ( -5.330 3.153 -2.169) 6.562 38.299 ( -2.029 17.635 0.174) 17.752 38.449 ( -3.002 -3.387 1.890) 4.905 39.848 ( -0.182 8.505 -0.843) 8.549 40.195 ( 0.801 5.148 1.332) 5.377 41.451 ( 8.775 -19.236 0.424) 21.148 41.647 ( 0.619 -21.851 -0.216) 21.861 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 2.864 0.000) 2.864 1.407 ( 0.000 2.293 0.000) 2.293 1.624 ( 0.000 4.401 0.000) 4.401 1.691 ( 0.000 3.876 0.000) 3.876 1.729 ( 0.000 1.880 0.000) 1.880 1.964 ( 0.000 15.665 0.000) 15.665 2.055 ( 0.000 4.331 0.000) 4.331 2.076 ( 0.000 1.548 0.000) 1.548 2.553 ( 0.000 0.657 0.000) 0.657 2.645 ( 0.000 -2.761 0.000) 2.761 2.810 ( 0.000 1.577 0.000) 1.577 2.947 ( 0.000 12.647 0.000) 12.647 3.016 ( 0.000 5.604 0.000) 5.604 3.140 ( 0.000 -0.718 0.000) 0.718 3.245 ( 0.000 0.487 0.000) 0.487 3.279 ( 0.000 12.242 0.000) 12.242 3.369 ( 0.000 2.554 0.000) 2.554 3.485 ( 0.000 5.927 0.000) 5.927 3.592 ( 0.000 5.648 0.000) 5.648 3.636 ( 0.000 -4.296 0.000) 4.296 3.767 ( 0.000 -7.848 0.000) 7.848 3.810 ( 0.000 -1.054 0.000) 1.054 4.086 ( 0.000 12.660 0.000) 12.660 4.133 ( 0.000 -11.053 0.000) 11.053 4.185 ( 0.000 7.789 0.000) 7.789 4.220 ( 0.000 -7.081 0.000) 7.081 4.391 ( 0.000 4.529 0.000) 4.529 4.475 ( 0.000 1.999 0.000) 1.999 4.478 ( 0.000 0.319 0.000) 0.319 4.548 ( 0.000 -3.568 0.000) 3.568 4.749 ( 0.000 -0.490 0.000) 0.490 4.764 ( 0.000 5.141 0.000) 5.141 5.113 ( 0.000 -8.417 0.000) 8.417 5.129 ( 0.000 -5.201 0.000) 5.201 5.460 ( 0.000 -0.419 0.000) 0.419 5.721 ( 0.000 -0.574 0.000) 0.574 5.826 ( 0.000 -1.949 0.000) 1.949 6.014 ( 0.000 -4.212 0.000) 4.212 6.259 ( 0.000 10.360 0.000) 10.360 6.552 ( 0.000 13.852 0.000) 13.852 6.557 ( 0.000 0.889 0.000) 0.889 6.693 ( 0.000 -5.404 0.000) 5.404 6.732 ( 0.000 -0.573 0.000) 0.573 7.007 ( 0.000 -6.294 0.000) 6.294 8.194 ( 0.000 7.771 0.000) 7.771 8.464 ( 0.000 3.360 0.000) 3.360 8.739 ( 0.000 1.472 0.000) 1.472 8.841 ( 0.000 -1.934 0.000) 1.934 9.881 ( 0.000 -1.235 0.000) 1.235 9.952 ( 0.000 -1.138 0.000) 1.138 10.129 ( 0.000 -1.164 0.000) 1.164 10.144 ( 0.000 -2.757 0.000) 2.757 11.407 ( 0.000 0.734 0.000) 0.734 11.559 ( 0.000 1.878 0.000) 1.878 12.046 ( 0.000 2.938 0.000) 2.938 12.107 ( 0.000 0.090 0.000) 0.090 12.668 ( 0.000 3.237 0.000) 3.237 12.817 ( 0.000 1.740 0.000) 1.740 12.826 ( 0.000 -4.738 0.000) 4.738 12.936 ( 0.000 -6.219 0.000) 6.219 13.329 ( 0.000 2.168 0.000) 2.168 13.395 ( 0.000 -0.156 0.000) 0.156 13.977 ( 0.000 -3.949 0.000) 3.949 14.017 ( 0.000 -1.465 0.000) 1.465 14.221 ( 0.000 -4.261 0.000) 4.261 14.281 ( 0.000 -2.756 0.000) 2.756 17.397 ( 0.000 -0.794 0.000) 0.794 17.476 ( 0.000 -1.277 0.000) 1.277 17.713 ( 0.000 0.738 0.000) 0.738 17.796 ( 0.000 -0.077 0.000) 0.077 19.452 ( 0.000 -2.550 0.000) 2.550 19.459 ( 0.000 -2.112 0.000) 2.112 19.539 ( 0.000 0.115 0.000) 0.115 19.646 ( 0.000 -2.527 0.000) 2.527 19.860 ( 0.000 -1.400 0.000) 1.400 19.861 ( 0.000 -0.488 0.000) 0.488 20.043 ( 0.000 1.559 0.000) 1.559 20.058 ( 0.000 -0.709 0.000) 0.709 20.229 ( 0.000 0.400 0.000) 0.400 20.266 ( 0.000 -0.613 0.000) 0.613 21.133 ( 0.000 -0.100 0.000) 0.100 21.169 ( 0.000 -1.455 0.000) 1.455 21.398 ( 0.000 -0.274 0.000) 0.274 21.464 ( 0.000 0.138 0.000) 0.138 27.432 ( 0.000 0.168 0.000) 0.168 27.437 ( 0.000 0.034 0.000) 0.034 27.534 ( 0.000 0.279 0.000) 0.279 27.560 ( 0.000 -0.030 0.000) 0.030 28.441 ( 0.000 0.787 0.000) 0.787 28.458 ( 0.000 0.352 0.000) 0.352 34.872 ( 0.000 6.091 0.000) 6.091 34.918 ( 0.000 6.564 0.000) 6.564 36.092 ( 0.000 9.030 0.000) 9.030 36.328 ( 0.000 -1.081 0.000) 1.081 38.386 ( 0.000 3.604 0.000) 3.604 38.738 ( 0.000 10.205 0.000) 10.205 38.806 ( 0.000 -7.216 0.000) 7.216 39.088 ( 0.000 -0.589 0.000) 0.589 39.997 ( 0.000 7.382 0.000) 7.382 40.281 ( 0.000 7.128 0.000) 7.128 40.388 ( 0.000 -9.755 0.000) 9.755 40.677 ( 0.000 -12.413 0.000) 12.413 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 2.158 0.822 0.333) 2.333 1.416 ( 1.008 2.185 -0.494) 2.456 1.652 ( 0.691 6.247 0.005) 6.285 1.674 ( -0.457 2.749 0.669) 2.866 1.731 ( 1.134 1.869 -0.386) 2.220 2.006 ( 1.740 8.012 -0.074) 8.199 2.057 ( 3.461 7.125 0.822) 7.964 2.127 ( 3.323 4.660 1.735) 5.980 2.511 ( -4.298 1.628 0.965) 4.696 2.673 ( -5.633 6.289 3.242) 9.044 2.701 ( -5.769 0.668 -0.252) 5.813 2.808 ( -7.704 4.688 0.129) 9.019 2.962 ( -0.887 6.146 -2.059) 6.542 3.091 ( -3.510 0.598 -0.361) 3.579 3.141 ( -4.493 1.968 0.498) 4.930 3.178 ( -10.822 6.904 -9.683) 16.079 3.351 ( -16.362 -13.401 -0.338) 21.153 3.436 ( -0.144 3.017 1.388) 3.324 3.587 ( 3.461 8.548 2.543) 9.567 3.631 ( 2.404 1.036 0.461) 2.658 3.775 ( -0.696 0.573 -0.925) 1.292 3.862 ( 2.517 -1.474 -0.613) 2.980 4.092 ( -0.745 9.480 0.825) 9.545 4.145 ( 0.553 -6.856 0.049) 6.878 4.180 ( -0.088 2.676 3.158) 4.140 4.243 ( 1.433 -4.807 1.381) 5.202 4.358 ( -1.650 2.645 -1.257) 3.361 4.364 ( -4.401 1.669 3.011) 5.588 4.498 ( -2.269 5.079 -0.087) 5.563 4.590 ( 1.843 -7.246 -4.121) 8.538 4.774 ( 6.925 7.891 -4.011) 11.239 4.842 ( 3.009 -1.173 2.874) 4.323 5.083 ( -1.275 -7.653 -3.511) 8.516 5.198 ( 3.753 -5.109 4.525) 7.789 5.485 ( 2.289 0.443 1.123) 2.588 5.775 ( 3.854 1.566 5.497) 6.894 5.846 ( 1.690 -4.531 -3.285) 5.846 5.939 ( -4.529 -4.335 -2.705) 6.828 6.227 ( -3.428 2.882 -2.497) 5.127 6.543 ( -4.483 2.265 4.176) 6.531 6.568 ( 1.103 9.543 1.267) 9.690 6.652 ( 6.768 7.015 -2.419) 10.044 6.874 ( 4.955 -2.414 -2.984) 6.267 7.021 ( 2.042 -3.914 1.346) 4.615 8.196 ( -0.822 6.563 2.134) 6.950 8.361 ( -6.142 -0.077 -1.542) 6.333 8.788 ( 2.947 4.361 -0.730) 5.314 8.943 ( 8.389 0.110 0.460) 8.402 9.893 ( 1.002 -0.758 0.642) 1.411 9.957 ( 0.473 -1.436 0.644) 1.643 10.123 ( -0.650 -0.993 -0.593) 1.327 10.140 ( -0.312 -3.109 -0.467) 3.159 11.401 ( -0.544 0.872 -0.899) 1.366 11.591 ( 2.718 1.718 1.726) 3.649 12.030 ( -1.761 2.608 0.290) 3.161 12.110 ( 0.701 -0.186 -0.750) 1.044 12.696 ( 1.633 2.203 -0.161) 2.747 12.775 ( -3.168 2.302 0.688) 3.976 12.839 ( 1.304 -2.616 0.029) 2.923 12.926 ( -0.428 -7.048 -0.367) 7.071 13.317 ( -1.085 2.214 -1.707) 2.999 13.423 ( 1.990 -1.569 1.894) 3.164 13.976 ( -0.035 -3.584 -0.623) 3.638 14.020 ( 0.114 -1.498 0.255) 1.524 14.208 ( -1.226 -4.166 -0.063) 4.343 14.247 ( -3.007 -2.960 -0.059) 4.220 17.374 ( -1.752 -0.842 -0.132) 1.948 17.451 ( -2.140 -1.743 0.172) 2.765 17.744 ( 2.921 1.646 -0.282) 3.365 17.841 ( 3.538 -0.461 0.053) 3.568 19.444 ( -0.665 -2.399 -0.215) 2.499 19.455 ( -0.320 -2.122 0.145) 2.151 19.548 ( 0.603 -0.125 0.422) 0.747 19.642 ( -0.313 -2.427 -0.533) 2.504 19.859 ( 0.217 -0.478 0.342) 0.627 19.872 ( 0.676 -1.356 -0.193) 1.527 20.030 ( -1.410 0.656 0.223) 1.571 20.046 ( -0.726 0.144 -0.163) 0.758 20.227 ( -0.382 0.107 0.430) 0.585 20.278 ( 1.140 -0.525 -0.504) 1.352 21.111 ( -1.958 0.051 1.541) 2.492 21.168 ( -0.033 -1.228 -1.302) 1.790 21.412 ( 1.244 -0.290 -0.575) 1.401 21.472 ( 0.693 -0.279 0.496) 0.897 27.435 ( 0.306 0.325 -0.048) 0.450 27.448 ( 0.893 -0.102 -0.004) 0.898 27.533 ( -0.072 0.301 0.001) 0.310 27.562 ( 0.080 -0.121 0.033) 0.149 28.441 ( -0.053 0.788 -0.032) 0.791 28.457 ( -0.112 0.432 -0.014) 0.447 34.906 ( 3.377 6.416 0.600) 7.276 34.956 ( 3.492 6.006 -0.525) 6.967 36.039 ( -5.039 8.958 1.485) 10.384 36.233 ( -8.786 0.396 -1.671) 8.953 38.342 ( -3.795 3.065 -0.690) 4.927 38.630 ( -10.839 -0.464 -9.097) 14.158 38.727 ( -4.817 6.241 6.463) 10.194 38.903 ( -15.128 1.470 2.414) 15.390 40.004 ( 0.681 7.039 -1.135) 7.162 40.245 ( -0.934 3.472 4.605) 5.842 40.561 ( 14.490 -6.251 -1.763) 15.879 40.883 ( 14.470 -15.673 -0.446) 21.336 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.180 -0.747 -0.736) 1.578 1.450 ( 2.378 1.356 -1.070) 2.939 1.593 ( -3.974 1.517 -1.577) 4.537 1.677 ( -1.123 3.747 2.490) 4.637 1.808 ( 5.104 5.508 -0.999) 7.575 2.040 ( 2.696 4.783 -0.139) 5.492 2.156 ( 2.380 2.443 3.159) 4.649 2.216 ( 5.726 6.444 1.597) 8.767 2.330 ( -15.170 5.450 -0.540) 16.128 2.409 ( -4.398 1.417 -0.824) 4.694 2.678 ( -5.696 1.911 2.558) 6.530 2.795 ( 0.158 1.416 0.149) 1.432 2.891 ( -12.998 -10.517 1.074) 16.754 2.909 ( -4.341 4.361 -1.349) 6.300 2.984 ( -5.329 4.076 -5.916) 8.945 3.033 ( -4.483 2.204 1.987) 5.376 3.124 ( -3.557 -1.218 0.286) 3.770 3.395 ( -1.104 -2.009 0.304) 2.312 3.566 ( -6.450 0.973 -3.806) 7.552 3.652 ( 1.093 8.267 1.499) 8.473 3.757 ( -1.858 0.995 -1.636) 2.668 3.890 ( 0.102 2.448 0.102) 2.452 4.099 ( 1.149 8.651 -0.635) 8.750 4.132 ( -2.590 1.524 -0.019) 3.005 4.153 ( -0.928 -8.248 0.274) 8.304 4.283 ( 0.102 3.924 0.674) 3.983 4.305 ( -0.105 0.642 -1.139) 1.312 4.361 ( 2.153 1.306 5.388) 5.948 4.438 ( -2.092 -1.051 3.430) 4.153 4.644 ( 2.532 -4.580 -1.824) 5.542 4.865 ( -0.331 -0.805 -1.961) 2.145 4.918 ( 4.432 -0.059 -3.549) 5.678 5.072 ( 1.582 -3.173 -1.115) 3.716 5.258 ( 1.432 -3.271 4.523) 5.762 5.543 ( 2.589 2.131 0.882) 3.467 5.734 ( -5.448 -2.406 -2.689) 6.535 5.925 ( 3.285 -3.809 2.123) 5.460 5.953 ( 5.050 -0.475 3.762) 6.315 6.138 ( -2.856 -4.890 -6.157) 8.366 6.505 ( -0.081 5.291 3.733) 6.476 6.582 ( -0.128 7.558 -1.204) 7.655 6.823 ( 8.519 8.903 -1.967) 12.479 6.902 ( -0.292 2.542 -0.285) 2.575 7.089 ( 2.824 0.136 0.339) 2.847 8.148 ( -2.940 2.775 -0.028) 4.043 8.267 ( -3.531 -1.436 1.406) 4.063 8.872 ( 5.084 6.713 -1.491) 8.552 9.107 ( 6.505 3.794 0.477) 7.546 9.916 ( 0.917 0.482 0.644) 1.220 9.977 ( 1.434 -2.163 1.360) 2.930 10.101 ( -1.339 -0.827 -1.214) 1.987 10.131 ( -0.422 -3.431 -0.557) 3.501 11.387 ( -0.590 1.399 -1.218) 1.946 11.658 ( 3.112 1.419 2.130) 4.030 11.980 ( -2.619 1.600 0.097) 3.071 12.134 ( 1.454 -0.301 -1.012) 1.797 12.650 ( -4.317 2.314 0.698) 4.947 12.780 ( 2.252 0.362 0.627) 2.366 12.884 ( 2.495 0.225 -0.533) 2.562 12.927 ( 0.770 -7.848 0.398) 7.896 13.281 ( -2.115 2.535 -1.626) 3.680 13.457 ( 0.942 -3.875 1.346) 4.209 13.976 ( 0.143 -2.721 -0.883) 2.864 14.017 ( -0.516 -1.405 0.224) 1.514 14.162 ( -3.403 -2.918 -0.198) 4.488 14.194 ( -1.174 -4.654 0.211) 4.804 17.340 ( -1.259 -1.220 -0.074) 1.755 17.404 ( -2.128 -1.808 0.058) 2.793 17.816 ( 3.536 1.902 -0.202) 4.020 17.912 ( 2.865 -0.112 0.032) 2.868 19.428 ( -0.691 -2.252 -0.304) 2.376 19.451 ( -0.063 -2.298 0.276) 2.316 19.559 ( 0.372 -0.457 0.334) 0.677 19.633 ( -0.495 -2.027 -0.555) 2.159 19.869 ( 0.609 -0.137 0.022) 0.625 19.885 ( 0.589 -1.554 0.238) 1.679 19.998 ( -1.286 -0.303 0.172) 1.333 20.029 ( -0.934 0.638 -0.141) 1.140 20.215 ( -0.732 -0.013 0.683) 1.001 20.306 ( 1.421 -0.633 -0.907) 1.801 21.067 ( -2.160 0.184 1.828) 2.836 21.165 ( -0.138 -0.707 -1.540) 1.701 21.440 ( 1.289 -0.327 -0.483) 1.415 21.488 ( 0.707 -0.972 0.504) 1.304 27.443 ( 0.483 0.411 -0.284) 0.695 27.468 ( 0.906 -0.032 0.223) 0.934 27.533 ( 0.142 0.218 0.029) 0.262 27.562 ( -0.079 -0.252 0.018) 0.265 28.439 ( -0.058 0.780 -0.092) 0.788 28.455 ( -0.079 0.594 0.046) 0.601 35.010 ( 6.347 6.687 0.225) 9.222 35.054 ( 5.761 5.285 0.019) 7.819 35.900 ( -8.096 8.708 1.794) 12.024 35.993 ( -12.991 3.441 -2.214) 13.620 38.253 ( -4.244 2.935 -0.254) 5.166 38.375 ( -10.992 1.314 -3.979) 11.764 38.569 ( -12.664 1.889 0.294) 12.807 38.653 ( -5.169 8.569 3.036) 10.458 40.013 ( 0.344 7.302 -1.761) 7.519 40.278 ( 2.690 5.722 4.297) 7.645 40.877 ( 14.534 -9.691 -0.929) 17.494 41.140 ( 9.044 -18.256 -0.286) 20.376 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.672 -0.880 -0.665) 1.291 1.502 ( 1.459 0.617 -1.263) 2.026 1.526 ( -1.137 -0.060 -0.248) 1.165 1.646 ( -1.553 3.322 1.361) 3.912 1.893 ( 2.172 4.006 -0.517) 4.587 2.096 ( 1.473 3.049 1.602) 3.746 2.126 ( -3.171 2.601 -0.259) 4.109 2.173 ( 0.143 -0.896 -0.821) 1.224 2.315 ( 2.785 -0.269 1.948) 3.409 2.352 ( -1.120 -1.640 -3.445) 3.977 2.492 ( -10.841 -5.188 2.712) 12.320 2.660 ( -1.150 -5.706 2.911) 6.509 2.773 ( -5.770 6.299 -3.873) 9.379 2.784 ( -3.264 4.952 -2.489) 6.432 2.975 ( 0.934 -2.956 2.622) 4.061 3.043 ( -0.841 -1.274 -0.686) 1.673 3.109 ( 4.202 6.517 3.743) 8.611 3.402 ( 0.686 2.142 2.337) 3.244 3.461 ( -2.025 5.129 -4.020) 6.824 3.595 ( -4.906 1.691 -3.997) 6.550 3.730 ( -0.291 9.098 1.141) 9.173 3.888 ( 0.024 3.381 0.609) 3.436 4.048 ( -2.937 -0.023 -1.915) 3.506 4.123 ( 0.337 2.856 -0.481) 2.916 4.148 ( -0.279 -7.073 1.420) 7.220 4.276 ( 0.644 6.414 0.104) 6.447 4.300 ( -1.007 7.991 -1.159) 8.137 4.424 ( 0.874 -6.514 1.329) 6.706 4.480 ( 5.524 -2.681 4.815) 7.803 4.652 ( -1.644 -4.243 0.443) 4.572 4.798 ( -3.536 -8.511 -2.701) 9.604 4.988 ( 2.290 1.537 -2.576) 3.774 5.119 ( 1.618 1.227 -0.069) 2.032 5.277 ( 0.259 -2.907 2.286) 3.707 5.564 ( -0.483 2.192 -0.082) 2.246 5.665 ( -0.692 -3.511 -0.934) 3.699 5.970 ( 0.218 -3.581 -0.641) 3.644 5.986 ( -0.214 -4.137 3.044) 5.140 6.176 ( 4.137 2.858 -1.901) 5.376 6.514 ( 0.290 3.228 2.126) 3.877 6.556 ( -1.680 2.680 -2.114) 3.805 6.891 ( 0.241 13.472 -0.332) 13.478 6.980 ( 5.003 2.097 0.298) 5.433 7.108 ( -0.760 4.225 -0.243) 4.300 8.107 ( -0.875 -0.365 -0.156) 0.960 8.207 ( -1.889 -0.040 0.657) 2.000 8.962 ( 2.724 6.943 -0.424) 7.471 9.198 ( 2.153 6.437 0.061) 6.788 9.928 ( 0.259 1.045 0.220) 1.099 10.014 ( 1.686 -2.367 1.525) 3.282 10.069 ( -1.425 -0.778 -1.472) 2.192 10.123 ( -0.262 -3.111 -0.183) 3.128 11.377 ( -0.233 1.880 -0.564) 1.976 11.709 ( 1.344 1.225 0.951) 2.052 11.938 ( -1.213 1.074 -0.045) 1.620 12.157 ( 0.673 -0.174 -0.502) 0.858 12.583 ( -1.804 2.384 0.436) 3.021 12.822 ( 1.460 -2.149 0.219) 2.607 12.899 ( -0.390 -5.537 0.814) 5.610 12.970 ( 2.101 -0.706 -0.772) 2.347 13.237 ( -1.537 3.215 -0.486) 3.597 13.467 ( 0.111 -5.634 0.355) 5.646 13.982 ( 0.496 -1.913 -0.644) 2.079 14.001 ( -0.879 -0.900 0.251) 1.283 14.105 ( -1.591 -4.063 -0.019) 4.363 14.183 ( -0.152 -4.379 0.111) 4.383 17.324 ( -0.347 -1.690 -0.011) 1.725 17.371 ( -0.868 -1.489 -0.002) 1.724 17.873 ( 1.615 1.314 -0.064) 2.083 17.951 ( 0.875 0.884 0.011) 1.244 19.418 ( -0.257 -2.301 -0.149) 2.321 19.451 ( 0.049 -2.480 0.146) 2.484 19.563 ( 0.070 -0.630 0.087) 0.640 19.624 ( -0.245 -1.574 -0.199) 1.606 19.877 ( 0.175 -0.367 -0.294) 0.502 19.897 ( 0.381 -1.204 0.451) 1.341 19.983 ( -0.227 -1.171 0.170) 1.205 20.010 ( -0.672 0.951 -0.187) 1.180 20.203 ( -0.355 0.018 0.305) 0.469 20.328 ( 0.641 -0.747 -0.462) 1.087 21.035 ( -0.928 0.192 0.816) 1.251 21.161 ( -0.080 -0.332 -0.664) 0.747 21.459 ( 0.553 -0.451 -0.174) 0.735 21.499 ( 0.231 -1.260 0.202) 1.297 27.451 ( 0.238 0.367 -0.182) 0.474 27.481 ( 0.275 0.354 0.154) 0.474 27.539 ( 0.368 -0.170 0.038) 0.407 27.558 ( -0.255 -0.207 -0.015) 0.329 28.438 ( -0.023 0.768 -0.059) 0.770 28.454 ( -0.013 0.703 0.042) 0.705 35.133 ( 4.090 6.176 -0.757) 7.446 35.178 ( 5.132 5.422 1.141) 7.552 35.725 ( -7.623 6.157 -1.025) 9.852 35.774 ( -5.657 7.891 0.564) 9.726 38.185 ( -1.749 4.724 -0.266) 5.044 38.210 ( -4.409 4.308 -0.663) 6.200 38.380 ( -4.662 -3.074 -0.143) 5.586 38.585 ( -1.759 10.098 0.743) 10.277 40.016 ( 0.123 7.611 -0.798) 7.654 40.329 ( 1.420 7.682 1.719) 7.999 41.115 ( 7.631 -13.136 -0.453) 15.198 41.238 ( 0.774 -17.918 0.027) 17.935 ======================= Grid point 35 (21/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 -0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.153 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 -0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 11.416 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 -0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.395 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.004 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.251 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.463 ( 0.000 0.000 0.000) 0.000 17.721 ( 0.000 0.000 0.000) 0.000 17.795 ( 0.000 0.000 0.000) 0.000 19.426 ( 0.000 0.000 0.000) 0.000 19.438 ( 0.000 0.000 0.000) 0.000 19.544 ( 0.000 0.000 0.000) 0.000 19.615 ( 0.000 0.000 0.000) 0.000 19.846 ( 0.000 0.000 0.000) 0.000 19.857 ( 0.000 0.000 0.000) 0.000 20.050 ( 0.000 0.000 0.000) 0.000 20.060 ( 0.000 0.000 0.000) 0.000 20.234 ( 0.000 0.000 0.000) 0.000 20.259 ( 0.000 0.000 0.000) 0.000 21.132 ( 0.000 0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 21.395 ( 0.000 0.000 0.000) 0.000 21.465 ( 0.000 0.000 0.000) 0.000 27.434 ( 0.000 0.000 0.000) 0.000 27.437 ( 0.000 0.000 0.000) 0.000 27.537 ( 0.000 0.000 0.000) 0.000 27.560 ( 0.000 0.000 0.000) 0.000 28.450 ( 0.000 0.000 0.000) 0.000 28.461 ( 0.000 0.000 0.000) 0.000 34.934 ( 0.000 0.000 0.000) 0.000 34.987 ( 0.000 0.000 0.000) 0.000 36.184 ( 0.000 0.000 0.000) 0.000 36.317 ( 0.000 0.000 0.000) 0.000 38.431 ( 0.000 -0.000 0.000) 0.000 38.723 ( 0.000 0.000 0.000) 0.000 38.847 ( 0.000 0.000 0.000) 0.000 39.076 ( 0.000 0.000 0.000) 0.000 40.128 ( 0.000 0.000 0.000) 0.000 40.234 ( 0.000 -0.000 0.000) 0.000 40.442 ( 0.000 -0.000 0.000) 0.000 40.462 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 37 (22/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 1.333 0.000 -0.024) 1.333 1.441 ( 0.500 -0.000 -0.270) 0.568 1.697 ( -2.985 0.000 -1.155) 3.201 1.737 ( -0.781 -0.000 1.215) 1.444 1.744 ( 5.504 0.000 -0.040) 5.504 2.035 ( -0.292 0.000 -3.921) 3.932 2.180 ( 2.250 0.000 0.823) 2.396 2.186 ( 4.484 0.000 3.486) 5.680 2.524 ( -3.915 0.000 1.416) 4.163 2.662 ( 6.005 0.000 1.797) 6.268 2.762 ( -5.930 0.000 0.862) 5.993 2.957 ( -19.032 0.000 1.429) 19.085 2.988 ( -9.094 -0.000 -0.944) 9.143 3.107 ( -7.986 -0.000 3.436) 8.694 3.109 ( -3.074 0.000 -0.524) 3.118 3.187 ( -8.139 0.000 -0.941) 8.193 3.293 ( -8.397 -0.000 -11.819) 14.499 3.479 ( -7.093 0.000 -4.740) 8.530 3.588 ( 2.599 -0.000 7.712) 8.138 3.730 ( -0.166 0.000 -0.233) 0.286 3.782 ( -0.323 -0.000 -1.945) 1.971 3.806 ( 7.687 0.000 -1.709) 7.874 4.020 ( 2.333 0.000 3.627) 4.313 4.146 ( 0.897 0.000 0.227) 0.926 4.215 ( 0.212 0.000 7.245) 7.248 4.274 ( -3.708 -0.000 -1.502) 4.001 4.370 ( -3.514 -0.000 4.776) 5.929 4.398 ( 2.205 0.000 -5.621) 6.038 4.486 ( -3.327 -0.000 -3.637) 4.929 4.561 ( 3.493 0.000 0.485) 3.527 4.839 ( 0.306 0.000 6.115) 6.122 4.935 ( 6.209 0.000 -6.342) 8.875 4.954 ( -1.923 -0.000 -4.798) 5.169 5.112 ( 6.250 -0.000 4.697) 7.818 5.486 ( 2.648 0.000 1.797) 3.200 5.790 ( -0.019 0.000 -1.569) 1.569 5.792 ( 6.669 -0.000 4.634) 8.121 5.897 ( -6.072 0.000 -4.027) 7.286 6.247 ( -9.352 0.000 -0.858) 9.392 6.568 ( -1.775 0.000 1.999) 2.674 6.665 ( 3.143 0.000 -1.596) 3.525 6.800 ( 5.664 0.000 -0.566) 5.692 6.840 ( 6.133 -0.000 0.738) 6.178 6.950 ( 5.228 -0.000 -0.144) 5.230 8.276 ( -0.599 -0.000 2.602) 2.670 8.343 ( -9.531 0.000 -2.192) 9.780 8.851 ( 3.464 0.000 -2.201) 4.104 8.930 ( 11.452 0.000 1.897) 11.608 9.879 ( 1.562 0.000 0.910) 1.808 9.945 ( 0.117 0.000 0.406) 0.423 10.097 ( -0.541 0.000 -0.757) 0.930 10.120 ( -0.646 0.000 -0.407) 0.764 11.411 ( -0.367 0.000 -0.804) 0.884 11.609 ( 2.526 0.000 1.523) 2.949 12.059 ( -2.632 -0.000 0.186) 2.638 12.107 ( 1.016 0.000 -0.622) 1.192 12.732 ( 1.109 0.000 1.689) 2.021 12.778 ( -2.506 0.000 -2.701) 3.685 12.814 ( 1.923 0.000 -1.211) 2.273 12.857 ( -0.777 0.000 2.439) 2.560 13.341 ( -0.819 -0.000 -2.711) 2.832 13.408 ( 0.711 0.000 2.784) 2.873 13.939 ( 0.307 0.000 -0.784) 0.842 14.005 ( 0.091 0.000 0.246) 0.263 14.162 ( -1.124 0.000 0.351) 1.177 14.215 ( -3.193 0.000 -0.256) 3.204 17.365 ( -1.844 0.000 -0.135) 1.848 17.433 ( -2.349 0.000 0.166) 2.354 17.763 ( 3.425 0.000 -0.280) 3.436 17.834 ( 3.345 0.000 0.086) 3.346 19.420 ( -0.551 0.000 -0.218) 0.593 19.433 ( -0.353 0.000 0.139) 0.380 19.549 ( 0.392 0.000 0.229) 0.454 19.613 ( -0.143 -0.000 -0.275) 0.310 19.851 ( 0.478 0.000 0.814) 0.944 19.862 ( 0.459 -0.000 -0.744) 0.875 20.031 ( -1.663 0.000 -0.074) 1.665 20.054 ( -0.570 -0.000 0.097) 0.578 20.228 ( -0.543 -0.000 0.563) 0.782 20.272 ( 1.156 0.000 -0.536) 1.274 21.112 ( -1.848 0.000 1.640) 2.471 21.155 ( 0.181 0.000 -1.397) 1.408 21.409 ( 1.221 0.000 -0.553) 1.340 21.469 ( 0.352 0.000 0.470) 0.588 27.441 ( 0.363 -0.000 -0.352) 0.505 27.444 ( 0.874 0.000 0.307) 0.926 27.536 ( -0.020 -0.000 -0.009) 0.022 27.559 ( -0.043 0.000 0.026) 0.050 28.449 ( -0.066 0.000 -0.171) 0.183 28.461 ( -0.026 -0.000 0.127) 0.130 34.974 ( 3.728 0.000 0.929) 3.842 35.016 ( 2.897 0.000 -0.870) 3.024 36.132 ( -4.930 0.000 1.071) 5.045 36.235 ( -7.684 -0.000 -0.736) 7.719 38.375 ( -4.644 -0.000 -1.345) 4.835 38.598 ( -9.745 0.000 -4.938) 10.925 38.819 ( -3.032 0.000 3.737) 4.812 38.911 ( -14.166 -0.000 1.157) 14.213 40.111 ( -0.753 0.000 -1.647) 1.811 40.237 ( 2.537 -0.000 4.701) 5.342 40.593 ( 11.851 0.000 3.034) 12.233 40.637 ( 12.555 -0.000 -5.012) 13.518 ======================= Grid point 39 (23/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.028 0.000 -0.891) 1.360 1.464 ( 1.895 0.000 -0.421) 1.941 1.610 ( -4.811 0.000 -1.938) 5.186 1.715 ( -1.551 0.000 1.310) 2.030 1.873 ( 5.482 0.000 0.238) 5.487 2.071 ( 3.853 0.000 -2.368) 4.522 2.225 ( 0.932 -0.000 1.446) 1.721 2.249 ( -0.221 0.000 4.202) 4.208 2.419 ( -5.128 0.000 -1.009) 5.227 2.519 ( -18.223 0.000 -1.706) 18.303 2.584 ( -14.893 -0.000 0.588) 14.905 2.691 ( -9.276 -0.000 2.593) 9.632 2.810 ( 6.482 0.000 1.984) 6.779 2.999 ( -8.502 -0.000 -1.386) 8.615 3.006 ( -3.614 0.000 -0.267) 3.624 3.101 ( -4.070 0.000 1.304) 4.274 3.177 ( -1.599 0.000 -5.725) 5.944 3.331 ( -2.534 -0.000 -0.068) 2.535 3.568 ( -3.120 0.000 -1.439) 3.436 3.738 ( -3.791 -0.000 -4.417) 5.821 3.758 ( 3.297 0.000 3.460) 4.779 3.909 ( 1.679 -0.000 -1.241) 2.088 4.050 ( 0.345 0.000 1.508) 1.547 4.167 ( -5.447 0.000 -2.661) 6.063 4.184 ( 0.431 -0.000 5.360) 5.377 4.260 ( 4.542 0.000 0.477) 4.567 4.334 ( -1.264 -0.000 3.970) 4.166 4.402 ( -1.840 0.000 -0.752) 1.988 4.434 ( 0.596 -0.000 -2.383) 2.456 4.631 ( 1.463 0.000 1.036) 1.793 4.787 ( -4.885 0.000 3.906) 6.254 4.935 ( 2.112 0.000 -6.637) 6.965 5.071 ( 5.485 -0.000 -4.613) 7.167 5.217 ( 2.703 -0.000 7.368) 7.848 5.564 ( 4.013 0.000 0.883) 4.109 5.705 ( -7.112 0.000 -3.606) 7.974 5.855 ( 2.366 -0.000 -2.657) 3.558 5.972 ( 7.234 0.000 9.735) 12.129 6.087 ( -3.347 0.000 -5.724) 6.631 6.552 ( -0.390 0.000 1.502) 1.552 6.662 ( -2.656 0.000 -3.177) 4.141 6.896 ( 4.777 0.000 3.345) 5.832 6.991 ( 6.106 0.000 -2.507) 6.600 7.074 ( 5.591 -0.000 0.540) 5.617 8.178 ( -5.816 -0.000 -1.280) 5.955 8.247 ( -2.224 0.000 1.983) 2.980 8.948 ( 5.373 0.000 -1.612) 5.610 9.145 ( 8.479 0.000 0.941) 8.531 9.925 ( 2.563 0.000 1.418) 2.929 9.949 ( 0.204 -0.000 0.530) 0.568 10.083 ( -0.636 0.000 -1.033) 1.213 10.100 ( -1.203 -0.000 -0.788) 1.438 11.402 ( -0.316 0.000 -1.001) 1.049 11.672 ( 2.972 0.000 1.856) 3.504 11.996 ( -3.067 0.000 0.014) 3.068 12.131 ( 1.227 0.000 -0.751) 1.439 12.684 ( -4.476 0.000 -2.116) 4.951 12.763 ( 1.502 -0.000 2.410) 2.839 12.840 ( -0.937 0.000 2.869) 3.018 12.900 ( 4.821 0.000 -2.150) 5.278 13.316 ( -1.139 -0.000 -3.429) 3.613 13.412 ( -0.811 0.000 3.095) 3.199 13.948 ( 0.640 0.000 -1.040) 1.221 14.003 ( -0.410 0.000 0.091) 0.420 14.134 ( -4.145 0.000 -0.296) 4.156 14.141 ( -0.693 -0.000 0.613) 0.925 17.328 ( -1.514 0.000 -0.080) 1.517 17.385 ( -2.006 0.000 0.068) 2.007 17.837 ( 3.294 0.000 -0.193) 3.300 17.909 ( 3.345 0.000 0.050) 3.345 19.406 ( -0.665 0.000 -0.296) 0.728 19.428 ( -0.167 0.000 0.286) 0.331 19.556 ( 0.219 0.000 0.110) 0.245 19.609 ( -0.222 -0.000 -0.336) 0.402 19.867 ( 0.924 0.000 1.207) 1.521 19.871 ( 0.390 -0.000 -1.011) 1.084 19.993 ( -1.656 0.000 0.078) 1.658 20.038 ( -0.891 -0.000 -0.041) 0.892 20.215 ( -0.729 0.000 0.659) 0.982 20.299 ( 1.337 0.000 -0.782) 1.549 21.070 ( -2.129 0.000 1.936) 2.877 21.157 ( 0.138 0.000 -1.682) 1.687 21.436 ( 1.247 0.000 -0.487) 1.339 21.478 ( 0.423 0.000 0.527) 0.676 27.449 ( 0.432 -0.000 -0.457) 0.628 27.466 ( 1.140 0.000 0.401) 1.208 27.536 ( -0.006 -0.000 0.012) 0.014 27.558 ( -0.127 0.000 0.012) 0.128 28.447 ( -0.070 0.000 -0.217) 0.228 28.461 ( 0.006 -0.000 0.172) 0.172 35.086 ( 6.800 0.000 1.522) 6.968 35.100 ( 5.042 -0.000 -1.314) 5.211 35.996 ( -7.704 0.000 1.579) 7.864 36.020 ( -12.074 -0.000 -1.565) 12.175 38.275 ( -4.101 -0.000 -0.459) 4.126 38.389 ( -8.717 0.000 -2.735) 9.135 38.588 ( -15.131 -0.000 -0.366) 15.135 38.745 ( -3.772 0.000 2.197) 4.366 40.103 ( 0.065 0.000 -1.806) 1.808 40.339 ( 5.532 -0.000 4.950) 7.423 40.846 ( 10.826 0.000 2.865) 11.199 40.868 ( 9.234 -0.000 -4.789) 10.402 ======================= Grid point 41 (24/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.678 0.000 -0.737) 1.001 1.512 ( 2.130 0.000 -0.469) 2.181 1.520 ( -2.920 0.000 -0.516) 2.965 1.680 ( -1.473 0.000 0.630) 1.602 1.936 ( 0.458 0.000 -0.248) 0.520 2.145 ( 0.066 0.000 -0.020) 0.069 2.153 ( -5.798 -0.000 0.410) 5.813 2.192 ( -0.667 0.000 1.047) 1.241 2.280 ( -3.030 -0.000 -0.833) 3.142 2.295 ( -5.064 -0.000 0.211) 5.068 2.458 ( 0.217 -0.000 -0.206) 0.299 2.583 ( -2.217 0.000 1.393) 2.618 2.808 ( -6.875 0.000 -1.341) 7.005 2.890 ( 1.355 0.000 -0.058) 1.356 2.952 ( -1.245 -0.000 0.324) 1.286 3.030 ( -2.103 0.000 -0.419) 2.144 3.171 ( 0.234 0.000 -0.584) 0.629 3.413 ( 8.006 0.000 6.251) 10.157 3.538 ( 0.252 0.000 -1.393) 1.416 3.609 ( -7.826 0.000 -6.829) 10.386 3.821 ( 1.763 -0.000 1.374) 2.235 3.915 ( -0.182 -0.000 0.013) 0.182 4.048 ( -1.033 0.000 0.039) 1.034 4.063 ( -2.703 -0.000 -1.350) 3.021 4.159 ( -1.898 0.000 1.464) 2.397 4.289 ( 0.092 0.000 0.844) 0.849 4.359 ( 1.008 0.000 -1.006) 1.424 4.436 ( 0.042 0.000 -0.328) 0.331 4.481 ( 7.947 -0.000 3.138) 8.544 4.618 ( -1.268 0.000 0.349) 1.315 4.655 ( -7.905 0.000 0.575) 7.926 5.005 ( 3.160 0.000 -3.441) 4.671 5.137 ( 1.425 0.000 -1.884) 2.362 5.247 ( 0.070 0.000 4.353) 4.354 5.588 ( -3.060 0.000 -1.767) 3.534 5.628 ( 1.734 -0.000 0.014) 1.734 5.905 ( 1.758 -0.000 -0.870) 1.961 5.952 ( -2.562 0.000 1.731) 3.092 6.217 ( 7.452 0.000 0.561) 7.473 6.547 ( -0.191 0.000 0.635) 0.663 6.576 ( -4.175 0.000 -2.246) 4.741 6.994 ( 3.506 0.000 3.157) 4.717 7.059 ( 0.854 0.000 -2.789) 2.916 7.155 ( 1.972 -0.000 0.331) 2.000 8.101 ( -1.694 0.000 -0.343) 1.728 8.208 ( -1.261 0.000 0.557) 1.378 9.035 ( 2.495 0.000 -0.433) 2.532 9.267 ( 3.006 0.000 0.207) 3.013 9.953 ( 0.101 0.000 0.255) 0.274 9.975 ( 1.722 -0.000 0.980) 1.981 10.072 ( -0.263 0.000 -0.511) 0.574 10.074 ( -0.965 -0.000 -0.688) 1.185 11.397 ( -0.107 0.000 -0.450) 0.463 11.720 ( 1.285 0.000 0.820) 1.524 11.947 ( -1.319 0.000 -0.041) 1.319 12.150 ( 0.525 0.000 -0.328) 0.620 12.614 ( -1.837 0.000 -0.787) 1.998 12.790 ( 0.709 0.000 1.242) 1.431 12.828 ( -0.403 0.000 1.179) 1.246 12.980 ( 2.428 0.000 -1.104) 2.667 13.294 ( -0.569 -0.000 -1.569) 1.669 13.391 ( -0.992 0.000 1.425) 1.737 13.962 ( 0.673 0.000 -0.529) 0.856 13.992 ( -0.406 0.000 -0.026) 0.407 14.063 ( -2.191 -0.000 -0.080) 2.192 14.136 ( -0.028 0.000 0.323) 0.324 17.307 ( -0.512 0.000 -0.014) 0.512 17.356 ( -0.733 0.000 0.004) 0.733 17.886 ( 1.288 0.000 -0.055) 1.289 17.959 ( 1.310 0.000 0.010) 1.310 19.395 ( -0.284 0.000 -0.141) 0.317 19.427 ( 0.002 0.000 0.162) 0.162 19.558 ( 0.024 0.000 -0.007) 0.025 19.605 ( -0.107 0.000 -0.139) 0.175 19.874 ( 0.070 0.000 -0.495) 0.500 19.886 ( 0.570 0.000 0.632) 0.852 19.970 ( -0.591 0.000 0.108) 0.601 20.022 ( -0.514 0.000 -0.109) 0.526 20.203 ( -0.342 0.000 0.278) 0.441 20.320 ( 0.606 0.000 -0.393) 0.722 21.037 ( -0.928 0.000 0.855) 1.262 21.158 ( 0.033 0.000 -0.728) 0.729 21.454 ( 0.493 0.000 -0.170) 0.522 21.485 ( 0.180 0.000 0.214) 0.280 27.456 ( 0.180 0.000 -0.211) 0.277 27.486 ( 0.551 0.000 0.193) 0.584 27.536 ( 0.008 0.000 0.015) 0.017 27.555 ( -0.109 0.000 -0.011) 0.110 28.446 ( -0.026 0.000 -0.098) 0.101 28.461 ( 0.016 0.000 0.081) 0.083 35.197 ( 3.384 0.000 -0.787) 3.474 35.232 ( 5.652 -0.000 1.133) 5.764 35.788 ( -8.085 0.000 -1.231) 8.178 35.856 ( -4.617 0.000 0.912) 4.706 38.231 ( 0.157 -0.000 1.011) 1.023 38.261 ( -3.173 0.000 -0.708) 3.251 38.341 ( -7.703 -0.000 -1.463) 7.841 38.688 ( -1.607 0.000 0.695) 1.751 40.105 ( 0.132 0.000 -0.771) 0.783 40.433 ( 2.502 0.000 2.131) 3.286 40.993 ( 3.121 0.000 -1.990) 3.702 41.008 ( 4.075 -0.000 1.098) 4.220 ======================= Grid point 77 (25/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 2.139 0.000 19.820) 19.935 0.488 ( 5.923 0.000 24.641) 25.343 0.954 ( 23.925 0.000 43.258) 49.434 1.161 ( -1.444 0.000 -16.320) 16.384 1.323 ( -0.296 0.000 4.803) 4.812 1.470 ( -4.611 0.000 -16.705) 17.329 1.552 ( 0.797 0.000 -0.601) 0.998 1.651 ( -12.018 0.000 -2.674) 12.312 1.712 ( 1.189 0.000 -3.526) 3.721 2.022 ( 5.093 0.000 11.781) 12.835 2.282 ( 3.834 0.000 12.206) 12.794 2.563 ( -6.101 0.000 -11.954) 13.421 2.684 ( -3.117 0.000 -4.171) 5.207 2.690 ( -6.565 0.000 -1.891) 6.832 2.867 ( 0.542 0.000 2.439) 2.499 2.885 ( 2.565 0.000 1.574) 3.010 3.042 ( -5.678 0.000 -7.793) 9.642 3.165 ( 0.377 0.000 -5.665) 5.677 3.395 ( 1.794 0.000 4.807) 5.131 3.444 ( -10.227 0.000 1.174) 10.294 3.568 ( -0.200 0.000 -1.029) 1.049 3.586 ( -2.595 0.000 -2.076) 3.323 3.932 ( 3.858 0.000 2.976) 4.872 4.059 ( -2.827 0.000 -3.070) 4.173 4.160 ( -1.031 0.000 -0.275) 1.067 4.165 ( 0.397 0.000 -2.866) 2.893 4.347 ( 4.144 0.000 -0.914) 4.243 4.474 ( 10.873 0.000 2.975) 11.272 4.538 ( -4.840 0.000 -0.506) 4.866 4.585 ( 6.341 0.000 -8.919) 10.944 4.779 ( 3.924 0.000 7.417) 8.391 4.860 ( -0.455 0.000 3.804) 3.831 5.063 ( -3.666 0.000 1.272) 3.880 5.244 ( -1.442 0.000 -6.064) 6.234 5.691 ( 1.198 0.000 3.289) 3.500 5.801 ( -22.612 0.000 -1.541) 22.665 5.884 ( -5.861 0.000 2.254) 6.279 5.979 ( 3.470 0.000 -1.652) 3.843 6.418 ( 1.257 0.000 4.119) 4.306 6.598 ( -0.615 0.000 -3.945) 3.993 6.703 ( -4.161 0.000 1.259) 4.347 6.756 ( 1.247 0.000 -2.227) 2.552 6.995 ( 4.050 0.000 5.177) 6.573 7.177 ( -3.038 0.000 -2.982) 4.257 7.827 ( 0.807 0.000 3.703) 3.790 8.022 ( -0.973 0.000 -3.950) 4.068 8.843 ( -5.528 0.000 0.788) 5.584 8.880 ( 29.797 0.000 -0.671) 29.804 10.032 ( -5.287 0.000 2.315) 5.772 10.048 ( 0.156 0.000 1.291) 1.300 10.187 ( -0.659 0.000 -1.062) 1.250 10.235 ( 0.256 0.000 -2.607) 2.620 11.637 ( 2.416 0.000 1.104) 2.656 11.661 ( -3.694 0.000 1.362) 3.937 11.768 ( -2.622 0.000 0.951) 2.789 11.921 ( 38.438 0.000 -3.965) 38.642 12.585 ( 2.636 0.000 0.614) 2.707 12.604 ( -0.042 0.000 -0.041) 0.059 12.838 ( -2.664 0.000 0.289) 2.680 12.857 ( -0.774 0.000 -0.570) 0.961 13.422 ( 4.169 0.000 2.792) 5.018 13.591 ( -19.507 0.000 -4.405) 19.998 14.220 ( 1.400 0.000 5.468) 5.645 14.415 ( -1.519 0.000 -2.286) 2.745 14.436 ( -6.094 0.000 0.563) 6.120 14.478 ( 1.726 0.000 -1.565) 2.330 17.455 ( 0.654 0.000 2.125) 2.224 17.574 ( -0.967 0.000 -2.871) 3.030 17.712 ( 0.592 0.000 0.963) 1.131 17.739 ( -0.292 0.000 -0.331) 0.441 19.577 ( -0.085 0.000 0.615) 0.621 19.613 ( 2.359 0.000 -0.849) 2.508 19.740 ( 1.020 0.000 0.415) 1.101 19.753 ( -0.942 0.000 -0.131) 0.951 19.888 ( -0.255 0.000 -0.038) 0.257 19.889 ( 0.641 0.000 -0.060) 0.644 20.104 ( 0.334 0.000 0.277) 0.434 20.115 ( -0.329 0.000 -0.170) 0.370 20.359 ( 2.296 0.000 0.213) 2.306 20.369 ( -15.912 0.000 -0.207) 15.913 21.238 ( 2.145 0.000 0.544) 2.213 21.267 ( -15.446 0.000 -0.598) 15.458 21.383 ( -0.419 0.000 0.491) 0.645 21.406 ( 0.133 0.000 -0.405) 0.426 27.422 ( -0.876 0.000 0.044) 0.878 27.430 ( 3.163 0.000 -0.263) 3.174 27.494 ( 0.515 0.000 0.413) 0.660 27.509 ( -0.588 0.000 -0.200) 0.622 28.367 ( 0.424 0.000 0.137) 0.446 28.375 ( -0.415 0.000 -0.147) 0.440 34.297 ( 0.120 0.000 0.099) 0.156 34.301 ( -0.134 0.000 -0.088) 0.161 35.368 ( 3.809 0.000 1.297) 4.024 35.439 ( -19.748 0.000 -1.544) 19.808 37.286 ( 0.153 0.000 3.398) 3.401 37.452 ( -0.135 0.000 -3.224) 3.227 39.171 ( -4.199 0.000 5.034) 6.555 39.452 ( 30.402 0.000 -6.378) 31.064 40.083 ( 5.567 0.000 0.732) 5.614 40.087 ( -3.683 0.000 0.364) 3.701 41.329 ( 100.489 0.000 1.725) 100.503 41.407 ( -14.207 0.000 -1.430) 14.279 ======================= Grid point 78 (26/90) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 15.191 0.000 12.959) 19.968 0.776 ( 12.753 0.000 17.495) 21.649 1.096 ( 1.051 0.000 -13.537) 13.577 1.377 ( 7.372 0.000 -4.538) 8.657 1.428 ( 7.311 0.000 4.336) 8.500 1.455 ( -0.764 0.000 -5.490) 5.543 1.577 ( 9.130 0.000 -7.339) 11.714 1.698 ( -3.177 0.000 -2.387) 3.973 1.879 ( 27.719 0.000 29.665) 40.599 2.091 ( 0.448 0.000 0.244) 0.510 2.323 ( -8.262 0.000 -13.054) 15.449 2.350 ( 0.259 0.000 1.363) 1.388 2.604 ( -1.029 0.000 2.353) 2.568 2.605 ( -4.541 0.000 5.724) 7.307 2.842 ( -5.839 0.000 -6.497) 8.735 2.938 ( -0.388 0.000 0.141) 0.413 2.975 ( 1.883 0.000 -0.049) 1.883 3.167 ( 1.403 0.000 -3.647) 3.908 3.312 ( -2.023 0.000 0.965) 2.241 3.398 ( -1.287 0.000 2.429) 2.749 3.510 ( -4.253 0.000 -1.176) 4.413 3.616 ( 5.221 0.000 3.811) 6.464 4.031 ( 0.486 0.000 -3.986) 4.015 4.048 ( 5.741 0.000 3.213) 6.579 4.141 ( -1.789 0.000 -0.162) 1.796 4.197 ( 2.282 0.000 -1.830) 2.925 4.400 ( 0.429 0.000 -6.034) 6.049 4.492 ( 2.177 0.000 -1.229) 2.500 4.570 ( -2.237 0.000 -8.743) 9.024 4.667 ( 0.640 0.000 -1.947) 2.050 4.831 ( -1.560 0.000 0.576) 1.663 4.866 ( 1.759 0.000 5.267) 5.553 5.113 ( 5.936 0.000 1.416) 6.102 5.280 ( 5.456 0.000 -3.657) 6.568 5.367 ( -12.966 0.000 11.375) 17.248 5.703 ( -0.401 0.000 3.394) 3.417 5.933 ( 3.591 0.000 0.380) 3.611 6.031 ( 1.651 0.000 1.339) 2.125 6.449 ( 0.499 0.000 3.783) 3.816 6.534 ( -4.774 0.000 -3.638) 6.002 6.640 ( -2.298 0.000 1.836) 2.941 6.784 ( 0.436 0.000 -0.139) 0.457 7.070 ( 3.231 0.000 6.300) 7.080 7.096 ( -2.728 0.000 -6.367) 6.926 7.847 ( 1.667 0.000 5.655) 5.896 8.005 ( -0.139 0.000 -5.099) 5.101 8.685 ( -9.289 0.000 -5.772) 10.937 9.073 ( -4.092 0.000 0.519) 4.124 9.903 ( -2.875 0.000 6.949) 7.520 10.051 ( -0.063 0.000 0.605) 0.609 10.184 ( 0.175 0.000 -1.442) 1.453 10.187 ( -4.075 0.000 -1.816) 4.461 11.488 ( -10.689 0.000 -3.482) 11.242 11.652 ( -0.317 0.000 1.684) 1.714 11.710 ( -2.692 0.000 -0.924) 2.846 11.847 ( -14.022 0.000 7.928) 16.108 12.550 ( -2.962 0.000 0.904) 3.097 12.590 ( -0.220 0.000 -2.371) 2.382 12.902 ( 3.611 0.000 2.564) 4.429 13.338 ( 15.714 0.000 -14.911) 21.663 13.435 ( 4.492 0.000 -9.227) 10.262 13.555 ( 6.563 0.000 6.245) 9.059 14.254 ( 0.442 0.000 7.013) 7.026 14.385 ( -0.778 0.000 -3.072) 3.169 14.397 ( 1.077 0.000 -1.027) 1.489 14.522 ( 2.320 0.000 -0.185) 2.328 17.485 ( 1.955 0.000 2.581) 3.237 17.554 ( -0.656 0.000 -2.918) 2.991 17.709 ( -2.160 0.000 -0.772) 2.294 17.712 ( -0.445 0.000 0.908) 1.011 19.570 ( -0.432 0.000 0.485) 0.650 19.624 ( -0.439 0.000 -1.455) 1.519 19.736 ( -1.097 0.000 1.790) 2.100 19.755 ( 1.022 0.000 -0.884) 1.351 19.899 ( 1.024 0.000 0.292) 1.065 20.024 ( 4.131 0.000 -4.495) 6.104 20.120 ( 0.957 0.000 0.336) 1.015 20.142 ( 1.333 0.000 0.574) 1.451 20.197 ( 2.746 0.000 -1.213) 3.002 20.380 ( -0.561 0.000 2.874) 2.928 21.121 ( -1.388 0.000 2.421) 2.791 21.254 ( -0.555 0.000 1.961) 2.038 21.404 ( 1.331 0.000 1.002) 1.666 21.464 ( 4.399 0.000 0.833) 4.477 27.411 ( -0.147 0.000 -0.595) 0.613 27.464 ( -0.131 0.000 -0.160) 0.207 27.506 ( 0.514 0.000 0.719) 0.884 27.512 ( 1.060 0.000 -0.977) 1.442 28.368 ( -0.126 0.000 -0.332) 0.355 28.371 ( -0.160 0.000 0.543) 0.566 34.321 ( 2.026 0.000 0.098) 2.028 34.334 ( 3.421 0.000 -0.070) 3.422 35.099 ( -10.838 0.000 7.959) 13.446 35.403 ( -1.375 0.000 3.962) 4.194 37.287 ( -0.273 0.000 3.276) 3.287 37.426 ( -1.791 0.000 -3.299) 3.754 38.807 ( -30.372 0.000 -6.933) 31.154 39.221 ( -21.679 0.000 7.665) 22.994 39.731 ( -14.499 0.000 -2.037) 14.641 40.007 ( -0.321 0.000 -5.936) 5.944 41.626 ( 24.547 0.000 -8.243) 25.894 42.720 ( 12.316 0.000 -16.399) 20.508 ======================= Grid point 79 (27/90) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 1.415 0.000 -6.682) 6.830 0.932 ( 14.441 0.000 8.290) 16.651 1.324 ( 14.870 0.000 8.528) 17.142 1.452 ( 2.184 0.000 -8.106) 8.395 1.492 ( 5.288 0.000 -6.743) 8.570 1.552 ( 1.405 0.000 -2.342) 2.731 1.571 ( -5.842 0.000 -0.576) 5.870 1.737 ( 6.686 0.000 -4.602) 8.117 2.079 ( 2.087 0.000 -9.117) 9.353 2.255 ( -7.600 0.000 -13.152) 15.190 2.308 ( 3.464 0.000 5.048) 6.122 2.475 ( -9.836 0.000 6.602) 11.846 2.512 ( 24.143 0.000 21.839) 32.555 2.632 ( -8.841 0.000 -6.524) 10.987 2.682 ( 7.374 0.000 10.381) 12.734 2.846 ( -5.261 0.000 -3.319) 6.220 3.119 ( 9.852 0.000 2.360) 10.131 3.245 ( 2.529 0.000 -4.620) 5.267 3.274 ( -1.592 0.000 2.120) 2.651 3.419 ( 3.502 0.000 2.964) 4.588 3.449 ( -0.448 0.000 -1.141) 1.226 3.742 ( 5.536 0.000 2.892) 6.246 4.047 ( -7.461 0.000 -2.355) 7.823 4.061 ( 2.526 0.000 -5.047) 5.644 4.135 ( 1.577 0.000 1.303) 2.046 4.224 ( 0.674 0.000 0.846) 1.082 4.400 ( 1.137 0.000 -4.147) 4.300 4.441 ( -8.852 0.000 -5.417) 10.378 4.574 ( 4.280 0.000 -2.913) 5.178 4.661 ( 0.403 0.000 -0.697) 0.805 4.849 ( -2.890 0.000 -0.066) 2.891 4.859 ( 3.294 0.000 4.947) 5.943 5.141 ( -4.723 0.000 3.953) 6.159 5.235 ( -0.075 0.000 3.596) 3.596 5.424 ( 7.350 0.000 -0.567) 7.372 5.682 ( -1.873 0.000 2.183) 2.876 5.998 ( 2.431 0.000 -0.800) 2.559 6.062 ( 1.308 0.000 1.285) 1.834 6.419 ( -5.106 0.000 -2.255) 5.582 6.434 ( -2.130 0.000 2.605) 3.365 6.597 ( -2.245 0.000 3.430) 4.099 6.752 ( -2.810 0.000 -0.607) 2.875 7.076 ( 1.210 0.000 -7.191) 7.292 7.120 ( -0.210 0.000 4.330) 4.335 7.963 ( 9.527 0.000 9.468) 13.432 8.023 ( 3.004 0.000 -7.265) 7.861 8.449 ( -12.667 0.000 -9.123) 15.610 8.923 ( -9.222 0.000 4.842) 10.416 9.899 ( 0.652 0.000 3.039) 3.108 10.034 ( -1.679 0.000 -2.532) 3.038 10.114 ( -1.897 0.000 1.289) 2.293 10.184 ( -0.163 0.000 -1.029) 1.042 11.295 ( -6.540 0.000 -3.400) 7.371 11.593 ( -5.463 0.000 1.079) 5.569 11.660 ( -1.876 0.000 -0.187) 1.885 11.702 ( -2.023 0.000 3.683) 4.202 12.486 ( -2.970 0.000 2.138) 3.659 12.602 ( 1.564 0.000 -4.723) 4.975 12.973 ( 2.365 0.000 6.121) 6.562 13.477 ( 4.371 0.000 0.242) 4.378 13.544 ( 4.112 0.000 -18.254) 18.711 13.658 ( 2.449 0.000 5.078) 5.637 14.245 ( -1.739 0.000 7.303) 7.508 14.378 ( 0.313 0.000 -3.114) 3.130 14.439 ( 2.652 0.000 -1.192) 2.908 14.563 ( 1.386 0.000 0.597) 1.509 17.537 ( 2.724 0.000 2.524) 3.713 17.543 ( -0.015 0.000 -2.179) 2.179 17.658 ( -2.575 0.000 -1.323) 2.895 17.703 ( -0.432 0.000 0.736) 0.854 19.566 ( -0.059 0.000 0.536) 0.539 19.613 ( -0.404 0.000 -1.631) 1.680 19.721 ( -0.471 0.000 2.285) 2.333 19.781 ( 1.345 0.000 -1.404) 1.945 19.923 ( 1.192 0.000 0.785) 1.427 20.045 ( 0.097 0.000 -1.595) 1.598 20.122 ( -0.991 0.000 2.720) 2.895 20.138 ( 0.749 0.000 -0.022) 0.750 20.336 ( 6.319 0.000 -7.915) 10.128 20.348 ( -2.584 0.000 4.110) 4.855 21.122 ( 0.587 0.000 1.205) 1.341 21.239 ( -0.885 0.000 1.337) 1.603 21.433 ( 1.177 0.000 1.544) 1.942 21.536 ( 1.985 0.000 1.003) 2.224 27.414 ( 0.483 0.000 -0.707) 0.856 27.453 ( -0.643 0.000 0.140) 0.658 27.513 ( 0.083 0.000 0.753) 0.757 27.531 ( 0.691 0.000 -0.676) 0.967 28.366 ( -0.306 0.000 0.597) 0.671 28.369 ( 0.258 0.000 -0.175) 0.311 34.382 ( 3.601 0.000 0.785) 3.685 34.428 ( 5.300 0.000 -0.670) 5.342 34.945 ( -5.822 0.000 5.200) 7.806 35.309 ( -7.453 0.000 1.122) 7.538 37.283 ( -0.432 0.000 2.696) 2.731 37.386 ( -1.335 0.000 -2.935) 3.224 38.220 ( -19.765 0.000 -8.782) 21.628 38.839 ( -15.673 0.000 2.206) 15.828 39.592 ( -2.031 0.000 1.946) 2.813 40.011 ( 0.685 0.000 -9.228) 9.253 42.112 ( 20.805 0.000 -6.516) 21.802 42.666 ( -8.371 0.000 6.996) 10.910 ======================= Grid point 80 (28/90) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 10.746 0.000 -1.412) 10.838 1.147 ( 3.492 0.000 8.189) 8.902 1.393 ( -8.214 0.000 0.964) 8.270 1.514 ( 6.430 0.000 -7.381) 9.789 1.553 ( -0.448 0.000 0.043) 0.450 1.589 ( 6.002 0.000 5.443) 8.102 1.611 ( 4.982 0.000 -4.665) 6.826 1.821 ( 0.558 0.000 -0.772) 0.953 2.077 ( -5.677 0.000 -17.433) 18.334 2.102 ( -7.789 0.000 -9.716) 12.453 2.311 ( 4.493 0.000 12.178) 12.980 2.347 ( -0.240 0.000 -0.478) 0.535 2.600 ( 3.843 0.000 6.539) 7.585 2.631 ( -6.685 0.000 -7.179) 9.809 2.772 ( 1.831 0.000 1.036) 2.104 2.921 ( -4.240 0.000 5.532) 6.969 3.246 ( 7.050 0.000 2.223) 7.393 3.283 ( 3.543 0.000 3.306) 4.846 3.340 ( 5.150 0.000 5.661) 7.652 3.527 ( 9.356 0.000 -3.217) 9.894 3.561 ( 7.539 0.000 1.657) 7.719 3.813 ( -4.249 0.000 -3.244) 5.346 3.841 ( -3.413 0.000 -1.878) 3.896 4.030 ( -14.632 0.000 3.340) 15.008 4.141 ( 4.888 0.000 -2.555) 5.516 4.233 ( -5.769 0.000 -2.670) 6.357 4.284 ( 3.471 0.000 4.161) 5.419 4.443 ( 2.995 0.000 0.340) 3.014 4.635 ( 1.559 0.000 -4.864) 5.108 4.671 ( -0.894 0.000 -4.987) 5.067 4.782 ( -2.342 0.000 -1.526) 2.795 4.905 ( -1.316 0.000 -0.452) 1.392 5.107 ( 3.542 0.000 8.514) 9.221 5.281 ( 3.912 0.000 9.257) 10.050 5.536 ( 2.705 0.000 -2.444) 3.645 5.636 ( -2.410 0.000 0.811) 2.543 6.028 ( 0.554 0.000 -1.642) 1.733 6.072 ( -1.094 0.000 -1.674) 2.000 6.351 ( -0.866 0.000 -0.976) 1.305 6.377 ( -3.015 0.000 1.070) 3.200 6.563 ( -1.259 0.000 4.123) 4.311 6.706 ( -1.016 0.000 -1.376) 1.710 7.079 ( -2.950 0.000 2.389) 3.796 7.107 ( 2.161 0.000 -3.833) 4.400 8.115 ( 6.222 0.000 -9.110) 11.032 8.149 ( -12.464 0.000 -6.223) 13.931 8.246 ( 13.192 0.000 9.692) 16.370 8.720 ( -10.547 0.000 2.318) 10.799 9.912 ( 0.166 0.000 1.598) 1.607 10.002 ( -0.662 0.000 -2.959) 3.032 10.102 ( 0.019 0.000 2.396) 2.396 10.176 ( -0.394 0.000 -0.868) 0.953 11.229 ( 0.362 0.000 0.867) 0.940 11.483 ( -4.845 0.000 -2.834) 5.613 11.638 ( -0.226 0.000 0.754) 0.787 11.680 ( -0.940 0.000 0.920) 1.316 12.442 ( -1.408 0.000 3.061) 3.369 12.634 ( 1.799 0.000 -6.395) 6.643 13.005 ( -0.094 0.000 8.602) 8.603 13.480 ( -2.396 0.000 -9.078) 9.389 13.654 ( 6.904 0.000 -5.591) 8.884 13.674 ( -0.997 0.000 2.001) 2.236 14.210 ( -2.107 0.000 7.018) 7.328 14.383 ( 0.392 0.000 -3.101) 3.126 14.496 ( 2.724 0.000 0.947) 2.884 14.577 ( -0.043 0.000 0.325) 0.328 17.550 ( 0.793 0.000 -1.058) 1.323 17.582 ( -0.763 0.000 -0.073) 0.767 17.619 ( 0.946 0.000 0.948) 1.340 17.693 ( -0.722 0.000 0.111) 0.730 19.565 ( -0.098 0.000 0.457) 0.467 19.605 ( -0.197 0.000 -1.659) 1.671 19.720 ( 0.026 0.000 2.544) 2.544 19.803 ( 0.921 0.000 -1.660) 1.898 19.946 ( 0.793 0.000 1.259) 1.488 20.037 ( -0.707 0.000 -1.865) 1.994 20.114 ( -0.056 0.000 2.012) 2.013 20.152 ( 0.682 0.000 -0.427) 0.805 20.293 ( -2.929 0.000 3.938) 4.908 20.428 ( 3.614 0.000 -5.801) 6.834 21.142 ( 1.309 0.000 1.827) 2.248 21.221 ( -0.967 0.000 0.187) 0.984 21.453 ( 0.584 0.000 1.996) 2.080 21.551 ( -0.313 0.000 -0.415) 0.520 27.426 ( 0.697 0.000 -0.529) 0.875 27.440 ( -0.558 0.000 -0.121) 0.571 27.512 ( -0.244 0.000 0.786) 0.823 27.538 ( 0.056 0.000 -0.497) 0.500 28.362 ( -0.111 0.000 0.522) 0.534 28.374 ( 0.187 0.000 -0.115) 0.220 34.452 ( 2.346 0.000 1.688) 2.890 34.526 ( 3.375 0.000 -1.278) 3.609 34.864 ( -2.046 0.000 4.371) 4.826 35.148 ( -6.507 0.000 -2.957) 7.148 37.276 ( -0.424 0.000 2.150) 2.191 37.372 ( 0.120 0.000 -2.236) 2.239 38.016 ( -0.400 0.000 1.904) 1.945 38.570 ( -10.257 0.000 -6.247) 12.009 39.591 ( 1.003 0.000 4.277) 4.393 40.002 ( -0.601 0.000 -10.982) 10.998 42.436 ( 10.810 0.000 -2.858) 11.182 42.493 ( -8.994 0.000 7.795) 11.902 ======================= Grid point 81 (29/90) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -9.981 0.000 3.488) 10.573 1.185 ( -10.679 0.000 2.930) 11.074 1.255 ( 11.468 0.000 10.379) 15.468 1.480 ( -4.150 0.000 -3.268) 5.282 1.597 ( -5.901 0.000 -6.973) 9.135 1.674 ( 7.026 0.000 -4.205) 8.188 1.676 ( 0.917 0.000 -2.430) 2.597 1.813 ( 1.612 0.000 -7.981) 8.142 1.874 ( -9.696 0.000 -4.614) 10.738 1.976 ( -7.289 0.000 -6.098) 9.503 2.359 ( 2.751 0.000 4.699) 5.445 2.472 ( -8.462 0.000 -8.560) 12.036 2.553 ( 9.763 0.000 10.403) 14.266 2.596 ( -10.390 0.000 -2.033) 10.587 2.741 ( 10.969 0.000 8.588) 13.931 2.879 ( 0.572 0.000 -1.856) 1.942 3.284 ( -3.311 0.000 2.856) 4.373 3.333 ( 1.492 0.000 4.739) 4.969 3.477 ( 3.777 0.000 5.109) 6.354 3.483 ( -10.513 0.000 -1.419) 10.608 3.653 ( -5.524 0.000 -7.451) 9.276 3.660 ( -12.792 0.000 4.152) 13.449 3.828 ( 13.371 0.000 -5.310) 14.387 4.024 ( 11.075 0.000 3.642) 11.658 4.121 ( -5.807 0.000 -2.542) 6.339 4.208 ( 0.936 0.000 0.231) 0.965 4.375 ( 4.105 0.000 5.335) 6.731 4.510 ( 1.961 0.000 2.405) 3.103 4.603 ( -2.353 0.000 -8.113) 8.447 4.607 ( -4.131 0.000 -6.367) 7.590 4.804 ( 3.695 0.000 1.563) 4.012 4.852 ( -1.935 0.000 -4.454) 4.856 5.204 ( 2.670 0.000 12.068) 12.360 5.444 ( 10.123 0.000 12.889) 16.389 5.494 ( -5.326 0.000 -5.282) 7.501 5.615 ( 0.010 0.000 -2.320) 2.320 5.995 ( -5.200 0.000 -3.232) 6.123 6.020 ( -1.133 0.000 -0.902) 1.448 6.348 ( 0.523 0.000 -0.157) 0.547 6.388 ( 4.374 0.000 0.135) 4.376 6.552 ( -0.279 0.000 4.047) 4.057 6.708 ( 1.257 0.000 -1.080) 1.657 7.023 ( -3.264 0.000 -0.642) 3.326 7.166 ( 3.861 0.000 -1.263) 4.062 7.885 ( -10.103 0.000 -2.174) 10.334 8.214 ( 2.502 0.000 -6.391) 6.864 8.513 ( -8.227 0.000 -3.950) 9.126 8.558 ( 13.834 0.000 9.364) 16.705 9.910 ( -0.381 0.000 1.413) 1.463 10.001 ( 0.747 0.000 -2.501) 2.610 10.112 ( 0.745 0.000 2.290) 2.408 10.170 ( -0.004 0.000 -1.044) 1.044 11.304 ( 6.297 0.000 4.266) 7.606 11.386 ( -4.069 0.000 -6.085) 7.320 11.654 ( 1.686 0.000 1.467) 2.235 11.662 ( -0.857 0.000 0.065) 0.860 12.436 ( 0.533 0.000 2.738) 2.789 12.652 ( 0.384 0.000 -6.509) 6.521 12.992 ( -1.768 0.000 9.437) 9.602 13.395 ( -4.707 0.000 -8.660) 9.856 13.628 ( -3.483 0.000 -0.254) 3.492 13.784 ( 5.829 0.000 -4.594) 7.421 14.182 ( -1.212 0.000 6.900) 7.006 14.387 ( 0.346 0.000 -2.538) 2.562 14.551 ( 2.356 0.000 2.161) 3.197 14.564 ( -1.156 0.000 -0.909) 1.471 17.532 ( -2.638 0.000 -0.688) 2.726 17.573 ( 1.449 0.000 0.046) 1.449 17.670 ( 2.527 0.000 1.471) 2.924 17.673 ( -1.032 0.000 -0.916) 1.380 19.562 ( -0.180 0.000 0.397) 0.435 19.600 ( -0.099 0.000 -1.399) 1.403 19.726 ( 0.284 0.000 2.208) 2.227 19.813 ( 0.130 0.000 -1.581) 1.587 19.956 ( 0.011 0.000 1.890) 1.890 20.014 ( -1.277 0.000 -2.065) 2.428 20.119 ( 0.250 0.000 1.406) 1.429 20.168 ( 0.852 0.000 -0.388) 0.936 20.241 ( -2.216 0.000 2.225) 3.141 20.485 ( 2.672 0.000 -4.015) 4.823 21.184 ( 2.596 0.000 2.815) 3.830 21.200 ( -0.918 0.000 -0.848) 1.249 21.463 ( 0.246 0.000 2.987) 2.997 21.532 ( -1.275 0.000 -1.234) 1.775 27.430 ( -0.419 0.000 -0.605) 0.736 27.439 ( 0.562 0.000 -0.124) 0.576 27.506 ( -0.460 0.000 0.768) 0.895 27.534 ( -0.382 0.000 -0.393) 0.548 28.363 ( 0.109 0.000 0.477) 0.490 28.377 ( 0.110 0.000 -0.068) 0.129 34.457 ( -2.080 0.000 1.678) 2.672 34.528 ( -3.227 0.000 -1.284) 3.473 34.891 ( 4.143 0.000 6.456) 7.671 35.086 ( 1.281 0.000 -5.013) 5.174 37.271 ( -0.309 0.000 1.881) 1.906 37.380 ( 0.871 0.000 -1.960) 2.145 38.174 ( 14.268 0.000 8.960) 16.848 38.391 ( -6.439 0.000 -13.516) 14.971 39.629 ( 2.044 0.000 5.737) 6.090 39.966 ( -1.522 0.000 -12.599) 12.691 42.295 ( -11.307 0.000 2.580) 11.598 42.552 ( 0.319 0.000 2.795) 2.813 ======================= Grid point 82 (30/90) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -21.470 0.000 -7.241) 22.659 0.903 ( -15.554 0.000 7.466) 17.253 1.314 ( -6.153 0.000 -3.028) 6.858 1.424 ( -15.550 0.000 -10.696) 18.873 1.573 ( -12.779 0.000 5.153) 13.779 1.576 ( 9.577 0.000 10.573) 14.266 1.624 ( -4.685 0.000 -5.367) 7.124 1.724 ( -2.244 0.000 -6.769) 7.132 1.818 ( 0.995 0.000 -3.960) 4.083 1.867 ( -0.496 0.000 -6.854) 6.872 2.247 ( -7.841 0.000 0.746) 7.876 2.479 ( 7.065 0.000 10.982) 13.058 2.591 ( 4.030 0.000 0.345) 4.045 2.653 ( 2.204 0.000 5.020) 5.483 2.883 ( 1.174 0.000 -4.817) 4.958 3.035 ( 6.567 0.000 4.786) 8.126 3.152 ( -3.417 0.000 1.260) 3.642 3.265 ( -7.406 0.000 -0.949) 7.467 3.364 ( -0.189 0.000 1.852) 1.862 3.491 ( 1.652 0.000 1.021) 1.942 3.534 ( -4.666 0.000 -6.328) 7.862 3.568 ( -0.182 0.000 8.329) 8.331 3.996 ( -5.387 0.000 -3.133) 6.232 4.073 ( 8.977 0.000 -5.279) 10.414 4.155 ( 0.769 0.000 2.288) 2.414 4.197 ( -1.256 0.000 2.757) 3.029 4.447 ( -5.556 0.000 -8.819) 10.423 4.455 ( 2.328 0.000 2.488) 3.407 4.515 ( -3.087 0.000 -7.880) 8.463 4.619 ( 1.957 0.000 -0.031) 1.958 4.828 ( -0.082 0.000 -2.072) 2.074 4.843 ( -2.211 0.000 5.417) 5.851 5.232 ( -1.268 0.000 10.097) 10.176 5.392 ( -2.790 0.000 -5.127) 5.837 5.607 ( 0.280 0.000 -6.168) 6.175 5.685 ( 11.049 0.000 10.618) 15.324 5.909 ( -2.107 0.000 -1.101) 2.378 5.995 ( -0.060 0.000 2.638) 2.639 6.380 ( 1.880 0.000 0.123) 1.884 6.505 ( 5.387 0.000 -0.488) 5.409 6.568 ( 2.168 0.000 5.541) 5.950 6.763 ( 4.304 0.000 -0.749) 4.369 6.906 ( -7.360 0.000 -3.580) 8.185 7.244 ( 2.710 0.000 -0.483) 2.753 7.770 ( -1.187 0.000 2.263) 2.555 8.164 ( -5.543 0.000 0.145) 5.545 8.406 ( -2.485 0.000 -11.874) 12.131 8.802 ( 8.197 0.000 7.718) 11.259 9.912 ( 0.786 0.000 2.798) 2.907 10.021 ( 1.273 0.000 -1.797) 2.202 10.139 ( 1.827 0.000 0.832) 2.007 10.174 ( 0.476 0.000 -1.151) 1.246 11.305 ( -2.942 0.000 -6.169) 6.835 11.473 ( 8.713 0.000 5.234) 10.164 11.648 ( -0.443 0.000 0.542) 0.700 11.708 ( 3.182 0.000 1.887) 3.699 12.469 ( 2.305 0.000 1.331) 2.661 12.631 ( -1.708 0.000 -4.273) 4.602 12.963 ( -1.824 0.000 7.620) 7.836 13.269 ( -6.646 0.000 -7.935) 10.350 13.530 ( -5.734 0.000 -1.347) 5.890 13.877 ( 3.456 0.000 -5.189) 6.235 14.178 ( 0.113 0.000 6.153) 6.154 14.397 ( 0.866 0.000 -1.475) 1.711 14.530 ( -1.915 0.000 -2.325) 3.012 14.591 ( 1.130 0.000 1.272) 1.701 17.483 ( -1.979 0.000 0.231) 1.992 17.602 ( 0.851 0.000 0.332) 0.914 17.658 ( 0.122 0.000 -1.421) 1.426 17.714 ( 1.534 0.000 0.506) 1.615 19.562 ( 0.157 0.000 0.537) 0.560 19.596 ( -0.210 0.000 -1.116) 1.136 19.734 ( 0.267 0.000 1.288) 1.316 19.805 ( -0.684 0.000 -1.050) 1.253 19.947 ( -1.205 0.000 2.340) 2.632 19.981 ( -1.652 0.000 -2.231) 2.776 20.124 ( 0.063 0.000 0.860) 0.862 20.156 ( -2.219 0.000 1.257) 2.550 20.238 ( 2.152 0.000 -1.838) 2.830 20.534 ( 2.364 0.000 -3.126) 3.919 21.186 ( -0.210 0.000 -1.389) 1.404 21.257 ( 4.002 0.000 2.470) 4.702 21.479 ( 1.203 0.000 5.446) 5.577 21.495 ( -2.246 0.000 -1.235) 2.563 27.420 ( -0.446 0.000 -1.236) 1.314 27.447 ( 0.079 0.000 0.536) 0.542 27.495 ( -0.567 0.000 0.375) 0.680 27.524 ( -0.448 0.000 -0.068) 0.453 28.366 ( 0.117 0.000 0.305) 0.327 28.380 ( 0.122 0.000 0.100) 0.157 34.393 ( -3.607 0.000 0.860) 3.709 34.426 ( -5.460 0.000 -0.850) 5.525 35.039 ( 9.366 0.000 12.706) 15.785 35.159 ( 5.257 0.000 -5.081) 7.311 37.268 ( -0.122 0.000 1.865) 1.869 37.406 ( 1.719 0.000 -2.128) 2.735 38.250 ( -6.140 0.000 -17.566) 18.608 38.585 ( 23.091 0.000 9.879) 25.115 39.693 ( 4.095 0.000 5.699) 7.018 39.921 ( -1.148 0.000 -13.453) 13.502 41.993 ( -18.967 0.000 -6.197) 19.954 42.437 ( -12.979 0.000 10.026) 16.401 ======================= Grid point 83 (31/90) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -11.830 0.000 6.018) 13.273 0.588 ( -14.355 0.000 15.582) 21.186 0.939 ( -22.178 0.000 22.848) 31.841 1.198 ( -3.076 0.000 -9.136) 9.640 1.435 ( -8.386 0.000 -2.542) 8.763 1.502 ( 0.509 0.000 -3.647) 3.683 1.688 ( 1.101 0.000 -4.712) 4.839 1.691 ( -9.240 0.000 -16.738) 19.119 1.856 ( 9.692 0.000 11.124) 14.754 1.872 ( -2.240 0.000 -8.425) 8.717 2.203 ( 1.669 0.000 11.988) 12.103 2.587 ( 1.431 0.000 5.651) 5.830 2.651 ( 2.756 0.000 0.349) 2.778 2.751 ( 6.092 0.000 4.309) 7.462 2.888 ( -7.965 0.000 -4.918) 9.361 2.898 ( -1.369 0.000 -2.009) 2.431 3.170 ( -0.528 0.000 -4.526) 4.556 3.188 ( -3.989 0.000 -5.843) 7.075 3.387 ( -1.342 0.000 3.229) 3.497 3.519 ( 0.812 0.000 -0.999) 1.287 3.526 ( 4.603 0.000 -0.281) 4.612 3.602 ( 1.898 0.000 5.604) 5.916 3.912 ( -1.979 0.000 -0.657) 2.085 4.140 ( -4.026 0.000 -0.362) 4.043 4.162 ( 1.070 0.000 3.456) 3.618 4.171 ( 1.289 0.000 -3.482) 3.713 4.326 ( -3.722 0.000 -7.781) 8.625 4.421 ( -3.894 0.000 -4.764) 6.153 4.510 ( 2.179 0.000 -5.955) 6.341 4.622 ( -2.182 0.000 0.524) 2.245 4.764 ( -3.348 0.000 6.233) 7.075 4.845 ( 1.306 0.000 2.018) 2.404 5.169 ( -5.300 0.000 5.350) 7.531 5.322 ( -4.290 0.000 -4.787) 6.428 5.644 ( 3.044 0.000 -1.466) 3.379 5.827 ( 1.828 0.000 -0.202) 1.839 5.911 ( 2.340 0.000 -1.848) 2.982 6.112 ( 7.035 0.000 0.833) 7.084 6.404 ( 0.261 0.000 2.085) 2.102 6.565 ( 2.427 0.000 -0.574) 2.494 6.682 ( 6.434 0.000 8.722) 10.838 6.773 ( -3.205 0.000 -5.005) 5.944 6.882 ( 5.993 0.000 3.097) 6.745 7.235 ( -3.415 0.000 -2.612) 4.300 7.793 ( 1.898 0.000 3.266) 3.777 8.068 ( -3.156 0.000 -2.121) 3.803 8.369 ( 4.132 0.000 3.688) 5.539 8.898 ( 0.362 0.000 5.533) 5.544 9.972 ( 5.065 0.000 5.176) 7.242 10.041 ( 0.565 0.000 0.299) 0.639 10.185 ( 0.668 0.000 -0.837) 1.071 10.193 ( 3.163 0.000 -2.077) 3.784 11.291 ( 5.177 0.000 3.679) 6.352 11.633 ( 5.183 0.000 3.981) 6.535 11.647 ( 0.313 0.000 1.919) 1.944 11.774 ( 2.132 0.000 2.513) 3.295 12.527 ( 2.984 0.000 -0.168) 2.989 12.598 ( -0.458 0.000 -1.357) 1.432 12.919 ( -3.425 0.000 3.431) 4.848 13.097 ( -9.709 0.000 -8.007) 12.585 13.418 ( -3.676 0.000 -0.865) 3.777 13.887 ( -3.634 0.000 -9.215) 9.906 14.195 ( 0.791 0.000 4.897) 4.961 14.419 ( 1.166 0.000 -0.593) 1.308 14.485 ( -1.891 0.000 -3.311) 3.813 14.577 ( -3.523 0.000 -3.339) 4.854 17.454 ( -0.784 0.000 1.255) 1.480 17.597 ( -0.865 0.000 -1.826) 2.021 17.684 ( 1.828 0.000 0.346) 1.861 17.734 ( 0.479 0.000 -0.278) 0.554 19.570 ( 0.507 0.000 0.691) 0.857 19.591 ( -0.075 0.000 -0.600) 0.604 19.737 ( -0.106 0.000 0.213) 0.238 19.783 ( -1.441 0.000 -0.085) 1.444 19.913 ( -1.966 0.000 1.286) 2.349 19.938 ( -2.433 0.000 -2.272) 3.329 20.114 ( -1.444 0.000 0.206) 1.458 20.123 ( -0.278 0.000 0.297) 0.406 20.297 ( 3.372 0.000 -1.897) 3.869 20.557 ( -1.076 0.000 -5.416) 5.522 21.195 ( 1.411 0.000 -1.252) 1.886 21.332 ( 2.554 0.000 -1.059) 2.765 21.441 ( -2.621 0.000 -0.693) 2.711 21.524 ( 0.411 0.000 1.929) 1.972 27.406 ( -0.631 0.000 -1.044) 1.220 27.441 ( -0.771 0.000 0.814) 1.121 27.488 ( -0.038 0.000 0.031) 0.049 27.517 ( -0.247 0.000 0.266) 0.363 28.366 ( -0.147 0.000 -0.141) 0.203 28.380 ( -0.105 0.000 0.137) 0.173 34.328 ( -2.418 0.000 0.162) 2.423 34.330 ( -3.314 0.000 -0.253) 3.324 35.269 ( 5.487 0.000 -2.862) 6.189 35.357 ( 20.526 0.000 19.076) 28.021 37.271 ( 0.369 0.000 2.497) 2.525 37.439 ( 1.505 0.000 -2.747) 3.132 38.177 ( 10.994 0.000 9.043) 14.235 39.040 ( 16.061 0.000 7.712) 17.817 39.862 ( 13.184 0.000 3.134) 13.551 39.904 ( 1.428 0.000 -11.665) 11.752 41.438 ( -34.429 0.000 -10.378) 35.959 42.001 ( -30.317 0.000 12.544) 32.810 ======================= Grid point 84 (32/90) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 1.637 16.152 11.183) 19.714 0.876 ( 16.230 20.057 20.877) 33.190 1.187 ( 0.531 3.716 -11.529) 12.124 1.297 ( 5.041 22.953 10.875) 25.894 1.384 ( 0.413 5.125 4.111) 6.583 1.535 ( -5.254 0.170 -1.534) 5.476 1.646 ( 3.546 6.054 3.086) 7.664 1.736 ( -3.878 19.603 -10.497) 22.573 1.854 ( -2.596 13.036 -6.648) 14.861 2.081 ( 5.818 7.427 14.235) 17.078 2.382 ( -0.462 7.210 3.973) 8.245 2.491 ( -1.774 0.481 0.458) 1.894 2.672 ( -3.836 -1.329 1.956) 4.507 2.780 ( -9.852 8.499 -10.971) 17.019 2.903 ( 6.464 1.940 1.000) 6.823 2.925 ( 0.723 4.704 1.665) 5.042 3.025 ( -6.590 -0.180 -6.625) 9.346 3.193 ( 1.230 2.597 -4.055) 4.970 3.360 ( -3.986 -3.999 3.049) 6.417 3.423 ( 1.158 2.165 1.073) 2.680 3.564 ( 0.883 -0.108 0.634) 1.093 3.647 ( -1.158 4.766 -2.271) 5.405 3.902 ( 2.286 -2.026 1.751) 3.520 4.019 ( -1.531 -3.158 -1.500) 3.817 4.143 ( -0.683 0.960 -1.596) 1.984 4.180 ( -0.221 0.913 -2.568) 2.734 4.434 ( 5.008 -2.559 3.282) 6.511 4.484 ( -1.875 3.079 -3.275) 4.870 4.524 ( -0.373 3.263 0.039) 3.284 4.627 ( 4.249 3.909 -5.801) 8.185 4.863 ( -0.461 2.208 4.696) 5.210 4.925 ( 2.903 4.271 -0.934) 5.248 5.117 ( -1.339 7.047 0.090) 7.174 5.230 ( -4.016 -2.952 -3.500) 6.090 5.505 ( -2.210 -6.892 4.166) 8.351 5.623 ( -3.003 -8.724 2.678) 9.607 5.903 ( -3.122 -1.392 3.552) 4.930 6.004 ( 2.276 -1.444 0.109) 2.698 6.410 ( 1.662 -1.576 3.539) 4.216 6.563 ( -2.350 -4.327 -2.875) 5.702 6.680 ( 1.366 -1.002 5.805) 6.047 6.841 ( 2.988 2.728 1.643) 4.367 7.107 ( -4.883 -5.321 -3.547) 8.046 7.134 ( -2.046 4.237 -8.757) 9.941 7.815 ( 1.527 -0.542 4.775) 5.043 8.044 ( -2.839 3.992 -5.297) 7.215 8.653 ( 13.399 -4.553 10.916) 17.872 8.914 ( -1.698 -1.721 -4.906) 5.469 9.919 ( -1.469 -3.281 6.059) 7.045 10.043 ( 0.060 -0.863 0.181) 0.884 10.183 ( -0.905 -0.293 -0.070) 0.954 10.277 ( 0.355 0.519 -3.309) 3.368 11.425 ( 6.767 -6.235 7.277) 11.732 11.571 ( -1.028 -4.312 -1.631) 4.723 11.789 ( -1.002 5.940 7.562) 9.668 12.133 ( 5.919 1.935 -7.317) 9.608 12.566 ( -0.746 -1.392 -0.402) 1.629 12.586 ( 0.645 2.434 -2.233) 3.365 12.932 ( -0.004 6.780 1.746) 7.001 13.147 ( 7.269 11.932 -12.912) 19.025 13.367 ( 3.633 -4.884 2.450) 6.562 13.503 ( -13.250 -6.742 -2.514) 15.078 14.199 ( 1.251 -2.143 4.242) 4.914 14.343 ( -2.365 -5.760 -1.125) 6.328 14.422 ( -0.154 -0.658 0.077) 0.680 14.485 ( -0.942 -1.180 -1.201) 1.929 17.455 ( 0.476 -0.079 1.845) 1.907 17.560 ( -0.741 -1.342 -2.782) 3.177 17.709 ( 0.360 -0.357 1.187) 1.291 17.749 ( 0.012 0.954 -0.737) 1.206 19.588 ( 1.340 0.067 1.417) 1.951 19.635 ( 0.867 2.122 -0.329) 2.316 19.697 ( -0.257 -3.401 0.116) 3.413 19.726 ( -0.469 -3.549 -0.819) 3.673 19.894 ( 0.236 0.574 0.111) 0.630 19.930 ( 0.285 2.396 -3.058) 3.895 20.073 ( 0.479 -2.761 0.310) 2.819 20.089 ( -0.543 -2.163 -0.486) 2.283 20.294 ( -8.668 -3.656 3.833) 10.159 20.336 ( 2.009 -1.868 0.005) 2.743 21.169 ( -1.014 -1.383 3.896) 4.257 21.305 ( -1.555 -1.565 -3.029) 3.747 21.402 ( -1.920 1.334 -0.304) 2.358 21.416 ( 0.011 0.909 -0.393) 0.990 27.417 ( 0.693 0.069 0.386) 0.796 27.434 ( 0.233 0.036 -0.462) 0.519 27.505 ( 0.121 0.740 0.644) 0.988 27.523 ( -0.296 1.138 -0.223) 1.197 28.377 ( 0.453 0.923 0.186) 1.045 28.387 ( -0.375 1.136 -0.209) 1.214 34.354 ( -0.001 5.649 0.279) 5.656 34.364 ( -0.297 6.151 -0.185) 6.161 35.269 ( 1.314 10.297 12.152) 15.982 36.087 ( -14.490 16.917 -34.244) 40.851 37.538 ( -0.591 22.668 0.357) 22.679 37.762 ( -8.583 22.523 -13.211) 27.486 39.163 ( -4.630 -1.080 4.263) 6.386 39.309 ( 27.677 -10.341 4.168) 29.838 40.021 ( -2.528 -5.590 0.587) 6.162 40.047 ( 4.363 -1.591 -1.149) 4.784 41.075 ( 33.443 -12.923 13.257) 38.226 41.374 ( -0.704 -7.209 -4.483) 8.518 ======================= Grid point 85 (33/90) ======================= q-point: ( 0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 13.526 12.282 8.199) 20.025 1.093 ( 0.873 16.305 -1.138) 16.368 1.266 ( 11.456 16.111 -2.717) 19.954 1.423 ( 2.862 3.272 -2.993) 5.278 1.444 ( 4.584 3.457 3.613) 6.783 1.551 ( 4.384 0.757 -6.334) 7.740 1.647 ( -0.974 13.440 -6.971) 15.172 1.769 ( -0.709 5.896 -1.377) 6.096 1.953 ( 15.229 8.075 19.469) 26.003 2.214 ( 7.612 14.395 8.748) 18.485 2.278 ( -5.247 0.434 -7.666) 9.300 2.472 ( -2.596 8.134 -3.750) 9.326 2.552 ( -1.221 -0.870 11.154) 11.254 2.685 ( -2.574 5.544 -0.800) 6.165 2.874 ( -6.187 3.602 -4.318) 8.361 2.914 ( -2.714 -1.266 -2.088) 3.651 3.013 ( 0.703 2.181 0.494) 2.344 3.212 ( 3.023 4.523 -1.980) 5.789 3.288 ( -1.817 -2.334 -1.013) 3.127 3.442 ( 1.640 5.112 2.289) 5.836 3.532 ( -3.576 3.543 -3.249) 5.991 3.673 ( 2.814 3.922 2.031) 5.237 3.968 ( 2.101 -4.952 1.330) 5.542 4.003 ( 1.180 -2.934 -1.556) 3.524 4.140 ( -2.971 -3.094 -1.664) 4.602 4.171 ( 2.837 1.277 -0.112) 3.113 4.430 ( -1.525 0.796 -5.319) 5.591 4.529 ( 1.557 2.250 -0.857) 2.867 4.541 ( 1.919 -3.818 1.894) 4.674 4.688 ( 1.384 4.551 -7.840) 9.170 4.855 ( 0.840 5.984 3.893) 7.188 4.957 ( -3.994 -0.226 -0.932) 4.108 5.084 ( 2.942 -0.145 1.905) 3.508 5.257 ( 1.818 -0.803 1.290) 2.369 5.443 ( -0.731 7.220 1.917) 7.505 5.601 ( 0.116 -8.288 4.028) 9.216 5.916 ( 3.149 -2.366 -1.062) 4.080 6.044 ( 1.277 0.189 3.027) 3.291 6.427 ( -1.131 -2.418 4.112) 4.903 6.477 ( -5.046 -5.146 -3.215) 7.892 6.671 ( -2.390 0.398 2.533) 3.505 6.870 ( -1.532 5.523 -0.237) 5.737 6.934 ( -7.076 -8.095 -2.261) 10.987 7.142 ( 2.867 0.130 -0.173) 2.875 7.868 ( 3.467 2.477 6.328) 7.629 8.023 ( 1.197 2.954 -5.075) 5.993 8.691 ( -7.531 0.374 -3.949) 8.512 8.930 ( 0.784 -8.323 1.893) 8.571 9.895 ( -0.648 -0.110 5.005) 5.048 10.043 ( -0.042 -0.642 -0.733) 0.975 10.156 ( -1.488 0.082 0.528) 1.581 10.249 ( -2.223 1.556 -2.283) 3.546 11.422 ( -6.163 -3.879 -1.539) 7.444 11.561 ( 0.242 -3.764 1.222) 3.965 11.763 ( -1.363 6.610 4.912) 8.347 12.069 ( -10.280 9.021 -1.969) 13.817 12.548 ( -2.182 1.600 -0.486) 2.749 12.614 ( 1.507 -0.271 -1.181) 1.934 12.856 ( 1.465 -0.191 0.440) 1.541 13.300 ( 3.606 -3.014 -0.987) 4.802 13.431 ( 4.024 -0.937 -6.734) 7.901 13.554 ( 9.757 -2.521 -3.325) 10.612 14.224 ( 0.247 -2.867 5.770) 6.447 14.308 ( -0.663 -5.150 -1.755) 5.481 14.409 ( -0.329 -0.924 -0.819) 1.278 14.495 ( 1.325 -2.562 -0.344) 2.904 17.468 ( 0.449 -1.426 1.372) 2.029 17.565 ( 1.564 0.254 -1.872) 2.452 17.656 ( -3.317 -1.365 -0.197) 3.592 17.782 ( 1.081 3.038 0.060) 3.226 19.592 ( -0.729 1.476 0.573) 1.743 19.633 ( -0.702 0.124 -1.558) 1.713 19.690 ( -0.009 -3.922 0.764) 3.996 19.743 ( 0.482 -1.394 0.402) 1.529 19.890 ( 0.891 -0.709 0.263) 1.169 20.002 ( 3.719 -1.842 -2.994) 5.118 20.079 ( -0.162 -2.954 -0.188) 2.965 20.097 ( 1.689 -3.083 -0.194) 3.521 20.204 ( 0.599 0.712 0.604) 1.109 20.359 ( -0.194 -1.903 2.219) 2.930 21.130 ( -1.803 0.676 2.446) 3.113 21.258 ( -1.775 -0.763 -0.489) 1.993 21.406 ( 1.397 0.344 0.805) 1.649 21.480 ( 4.109 1.009 0.210) 4.237 27.419 ( 0.020 0.698 -0.438) 0.824 27.456 ( 0.849 -0.803 -0.035) 1.169 27.509 ( 0.283 0.553 0.494) 0.794 27.523 ( 0.314 0.946 -0.192) 1.015 28.377 ( -0.199 0.882 -0.209) 0.928 28.383 ( -0.189 1.108 0.354) 1.178 34.384 ( 2.510 5.893 0.061) 6.406 34.397 ( 3.686 6.432 0.131) 7.414 35.239 ( -5.754 13.573 11.241) 18.539 35.679 ( -16.241 17.402 -13.438) 27.335 37.496 ( -2.568 19.899 3.684) 20.399 37.639 ( -3.753 17.957 -4.027) 18.782 38.792 ( -29.511 -1.552 -6.759) 30.315 39.161 ( -19.324 -5.416 7.677) 21.487 39.738 ( -11.376 0.855 -1.497) 11.506 40.021 ( -0.681 1.472 -5.258) 5.503 41.500 ( 23.642 -12.420 -5.679) 27.303 42.233 ( 27.380 -35.236 -0.006) 44.623 ======================= Grid point 86 (34/90) ======================= q-point: ( 0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 11.198 8.616 5.591) 15.195 1.077 ( 2.573 15.913 -9.520) 18.721 1.412 ( 0.843 1.822 -5.421) 5.781 1.533 ( 3.089 0.367 3.816) 4.924 1.569 ( -1.596 5.776 -7.256) 9.411 1.581 ( 12.056 11.977 -4.076) 17.476 1.659 ( 3.410 3.241 -2.355) 5.261 1.796 ( 3.585 13.115 1.736) 13.706 2.142 ( 1.494 5.337 -7.977) 9.713 2.225 ( 3.073 -2.010 5.353) 6.492 2.390 ( -3.059 6.724 0.547) 7.407 2.446 ( -0.162 3.426 3.780) 5.104 2.593 ( 0.652 5.429 7.323) 9.139 2.660 ( 0.137 0.751 2.293) 2.417 2.795 ( 8.869 12.152 9.499) 17.792 2.851 ( -3.586 0.167 -2.358) 4.295 3.025 ( 3.053 -4.420 0.133) 5.373 3.259 ( -1.819 -1.232 -2.210) 3.116 3.284 ( 2.168 0.525 0.573) 2.303 3.446 ( -3.142 3.136 -3.119) 5.425 3.540 ( 6.697 8.353 2.052) 10.901 3.717 ( 1.251 -1.667 0.285) 2.103 3.965 ( -7.565 -8.238 -1.517) 11.287 4.001 ( 0.037 -4.348 -3.239) 5.422 4.070 ( 0.838 -4.283 -0.046) 4.364 4.251 ( 3.612 1.996 0.719) 4.189 4.415 ( 0.048 2.215 -4.132) 4.689 4.511 ( -3.919 1.659 3.048) 5.235 4.604 ( 5.395 3.517 -1.875) 6.708 4.661 ( -2.849 0.341 -5.975) 6.628 4.863 ( -3.138 2.628 -1.672) 4.421 4.932 ( 5.310 6.302 5.408) 9.856 5.159 ( 1.478 0.107 3.762) 4.044 5.203 ( -3.830 -2.038 0.711) 4.396 5.521 ( 5.006 7.113 1.088) 8.766 5.615 ( 1.088 -4.104 1.796) 4.610 5.978 ( 2.267 -2.800 -2.651) 4.473 6.071 ( 1.046 1.112 2.618) 3.031 6.345 ( -5.154 -6.156 0.355) 8.036 6.394 ( -3.586 -2.288 1.467) 4.499 6.585 ( -5.237 -1.902 0.782) 5.626 6.782 ( -6.692 -2.375 1.203) 7.202 6.892 ( 3.623 -6.557 -2.873) 8.023 7.200 ( 1.041 0.422 0.417) 1.198 7.971 ( 5.472 1.336 3.404) 6.581 8.103 ( 7.478 7.195 -0.970) 10.423 8.477 ( -11.485 2.513 -7.843) 14.133 8.882 ( -5.244 -2.333 3.349) 6.645 9.902 ( 0.535 0.303 2.783) 2.850 10.034 ( -0.739 0.195 -3.001) 3.097 10.123 ( -1.386 0.734 2.128) 2.644 10.209 ( -1.256 1.579 -1.157) 2.326 11.292 ( -4.796 0.036 -2.370) 5.350 11.551 ( -1.327 -0.708 -0.122) 1.509 11.743 ( -1.259 5.941 2.643) 6.623 11.865 ( -7.593 11.851 0.045) 14.075 12.502 ( -2.377 1.616 1.763) 3.372 12.626 ( 1.026 1.985 -4.110) 4.679 12.947 ( 4.369 -2.257 4.231) 6.487 13.380 ( 3.526 -7.103 -0.077) 7.930 13.516 ( 4.668 -2.342 -7.443) 9.093 13.652 ( 0.928 -2.677 -2.212) 3.595 14.213 ( -1.684 -3.079 5.982) 6.936 14.305 ( 0.307 -5.940 -1.684) 6.182 14.424 ( 1.863 -2.138 -1.084) 3.035 14.518 ( 0.651 -4.144 0.256) 4.203 17.478 ( 0.610 -2.842 0.170) 2.912 17.588 ( -2.441 -3.867 -0.799) 4.643 17.618 ( 2.654 4.023 0.168) 4.823 17.785 ( -0.727 4.744 0.124) 4.801 19.582 ( -0.302 1.116 0.550) 1.280 19.617 ( -0.468 0.071 -1.961) 2.018 19.689 ( -0.213 -3.031 1.770) 3.516 19.753 ( 0.590 -2.506 -0.459) 2.615 19.917 ( 1.327 -0.605 0.804) 1.666 20.033 ( 0.346 -1.075 -1.280) 1.707 20.079 ( 0.054 -3.660 0.970) 3.787 20.117 ( 0.269 -2.784 0.399) 2.825 20.277 ( 3.849 -3.051 -3.118) 5.818 20.340 ( -0.896 -1.385 1.249) 2.069 21.114 ( -0.180 -0.548 1.716) 1.810 21.228 ( -1.233 -1.317 0.112) 1.807 21.439 ( 1.481 0.538 1.275) 2.027 21.545 ( 1.758 0.410 0.462) 1.864 27.423 ( 0.419 0.765 -0.492) 1.001 27.461 ( -0.189 0.481 0.152) 0.539 27.516 ( 0.118 0.273 0.580) 0.652 27.532 ( 0.508 0.264 -0.471) 0.741 28.376 ( -0.170 0.843 0.460) 0.975 28.378 ( -0.008 0.959 -0.131) 0.968 34.456 ( 4.080 6.908 0.846) 8.068 34.500 ( 5.821 6.957 -0.355) 9.078 35.094 ( -7.640 13.899 5.946) 16.938 35.403 ( -11.172 8.074 -3.191) 14.149 37.457 ( -1.658 15.551 3.881) 16.113 37.563 ( -3.206 16.631 -2.682) 17.148 38.226 ( -19.106 0.571 -8.417) 20.886 38.806 ( -14.848 -3.102 2.197) 15.327 39.623 ( -1.768 3.088 1.863) 4.016 40.021 ( 0.517 1.093 -8.260) 8.348 41.971 ( 20.148 -13.686 -4.345) 24.741 42.446 ( -0.274 -19.310 6.495) 20.375 ======================= Grid point 87 (35/90) ======================= q-point: ( 0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 6.514 10.423 2.445) 12.532 1.221 ( 3.571 10.327 -1.150) 10.988 1.421 ( 1.267 -0.780 -7.142) 7.296 1.521 ( -0.989 3.644 0.448) 3.802 1.570 ( 1.077 2.312 -1.084) 2.771 1.730 ( 2.846 5.761 -2.366) 6.847 1.813 ( 8.232 13.297 6.395) 16.896 1.841 ( -0.403 9.277 -1.431) 9.396 2.072 ( -4.878 3.074 -13.478) 14.660 2.209 ( -11.950 4.845 -6.198) 14.307 2.347 ( 7.342 4.960 8.975) 12.612 2.408 ( -0.314 8.443 0.810) 8.488 2.608 ( 3.256 2.545 2.126) 4.648 2.716 ( -3.270 5.000 1.750) 6.226 2.785 ( 2.381 1.649 -0.613) 2.961 2.986 ( -5.142 7.159 0.724) 8.844 3.138 ( 6.323 -9.844 3.736) 12.282 3.237 ( 7.628 -1.792 2.127) 8.119 3.337 ( 2.369 -2.509 3.202) 4.708 3.428 ( 2.027 -3.149 -0.622) 3.796 3.629 ( 0.210 0.326 -1.850) 1.890 3.673 ( -11.816 -9.875 -2.697) 15.634 3.840 ( 6.617 -0.220 1.852) 6.875 4.039 ( -1.299 -2.673 -1.464) 3.313 4.086 ( 2.369 -2.321 -0.581) 3.366 4.250 ( -6.651 1.831 -1.246) 7.010 4.370 ( -1.017 4.256 2.420) 5.000 4.498 ( 2.645 5.109 2.617) 6.321 4.585 ( -2.751 -1.948 -6.146) 7.010 4.719 ( 4.912 4.640 -1.505) 6.923 4.827 ( -0.425 5.479 -3.255) 6.388 4.988 ( -3.623 4.900 -1.965) 6.403 5.153 ( 4.195 3.461 7.912) 9.601 5.233 ( 3.368 -4.181 6.380) 8.339 5.570 ( 0.065 -2.713 2.412) 3.630 5.656 ( 1.741 7.344 -1.855) 7.772 5.998 ( 0.280 -4.380 -3.001) 5.316 6.075 ( -1.581 1.055 -1.009) 2.152 6.277 ( -1.525 -5.264 2.381) 5.976 6.330 ( -1.589 -3.002 -0.060) 3.397 6.501 ( -2.229 -4.543 2.106) 5.481 6.651 ( -4.844 -5.669 -0.321) 7.463 7.018 ( 7.526 -2.184 -0.820) 7.879 7.159 ( -4.756 0.243 -0.213) 4.767 8.099 ( 6.687 -0.729 -4.403) 8.040 8.173 ( -9.957 1.790 -4.388) 11.027 8.360 ( 9.205 9.682 4.681) 14.156 8.742 ( -7.918 2.722 1.041) 8.438 9.912 ( 0.112 0.133 1.667) 1.676 10.013 ( -0.681 0.890 -3.281) 3.467 10.117 ( 0.363 1.156 2.497) 2.776 10.189 ( -0.678 0.936 -0.709) 1.356 11.246 ( 0.599 1.655 1.245) 2.156 11.502 ( -3.210 2.051 -3.506) 5.177 11.718 ( -0.823 6.074 1.436) 6.295 11.769 ( -2.141 8.873 0.384) 9.136 12.464 ( -1.302 2.013 2.850) 3.724 12.650 ( 1.506 1.612 -6.087) 6.474 13.008 ( 0.740 0.268 7.679) 7.719 13.407 ( -0.597 -6.660 -5.846) 8.881 13.603 ( 1.032 -5.513 0.949) 5.688 13.650 ( 2.811 -1.933 -6.114) 7.001 14.178 ( -2.044 -3.021 6.039) 7.055 14.312 ( 0.531 -6.244 -1.762) 6.509 14.471 ( 2.260 -2.763 -0.017) 3.570 14.520 ( -0.382 -5.351 0.335) 5.375 17.497 ( 1.255 -3.298 -0.206) 3.535 17.536 ( -2.163 -3.462 -0.580) 4.123 17.681 ( 2.766 4.561 0.888) 5.407 17.759 ( -1.562 4.780 -0.151) 5.031 19.578 ( -0.217 0.966 0.344) 1.048 19.610 ( -0.133 0.166 -1.684) 1.697 19.691 ( 0.166 -2.574 2.333) 3.478 19.763 ( 0.538 -3.853 -1.184) 4.066 19.941 ( 0.790 -0.403 1.187) 1.482 20.027 ( -0.698 -0.916 -1.751) 2.095 20.085 ( 0.378 -3.011 1.361) 3.326 20.119 ( 0.059 -3.149 -0.071) 3.150 20.273 ( -2.324 -1.598 3.326) 4.361 20.382 ( 3.404 -3.372 -4.779) 6.767 21.120 ( 0.545 -1.827 2.163) 2.883 21.206 ( -0.795 -1.378 -0.483) 1.663 21.465 ( 0.824 0.957 1.777) 2.180 21.557 ( -0.273 0.323 -0.564) 0.705 27.434 ( 0.554 0.590 -0.228) 0.841 27.453 ( -0.471 1.086 -0.149) 1.193 27.515 ( -0.157 0.329 0.636) 0.733 27.539 ( 0.150 0.126 -0.503) 0.540 28.371 ( -0.227 0.884 0.550) 1.065 28.382 ( 0.235 0.759 -0.217) 0.824 34.535 ( 2.644 7.877 1.923) 8.528 34.612 ( 4.049 8.028 -0.876) 9.034 34.975 ( -3.633 10.745 3.822) 11.969 35.203 ( -6.654 5.319 -3.361) 9.157 37.427 ( -1.722 13.582 2.651) 13.945 37.518 ( -0.496 13.992 -2.714) 14.261 38.031 ( -0.244 1.451 2.039) 2.515 38.552 ( -9.619 -1.749 -5.695) 11.315 39.623 ( 0.987 3.256 4.049) 5.289 40.010 ( -0.676 0.981 -10.005) 10.076 42.280 ( 7.947 -14.431 1.342) 16.529 42.380 ( -3.925 -11.312 3.239) 12.404 ======================= Grid point 88 (36/90) ======================= q-point: (-0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -8.871 7.917 1.383) 11.970 1.369 ( 9.404 9.789 6.203) 14.924 1.411 ( -2.972 7.673 -1.780) 8.419 1.469 ( -3.925 1.981 -0.545) 4.430 1.611 ( -0.927 -1.735 -3.700) 4.191 1.678 ( -5.137 7.545 -8.353) 12.373 1.772 ( -5.847 5.576 -3.888) 8.966 1.915 ( -3.384 11.156 -1.687) 11.779 1.958 ( -1.606 0.320 -1.665) 2.336 2.072 ( 0.439 15.637 -5.872) 16.709 2.408 ( 2.068 4.624 6.543) 8.275 2.520 ( -0.289 3.422 0.396) 3.457 2.589 ( 0.509 4.941 3.695) 6.191 2.678 ( -8.194 7.678 -2.947) 11.609 2.778 ( 6.842 4.049 5.539) 9.690 2.889 ( 0.268 1.876 -1.176) 2.231 3.172 ( -4.187 -8.390 5.124) 10.685 3.320 ( -4.122 -5.810 0.692) 7.158 3.395 ( 3.599 -3.631 0.587) 5.146 3.441 ( -1.345 -3.314 0.521) 3.615 3.598 ( 0.490 0.372 -1.941) 2.036 3.670 ( 11.825 -8.661 -2.977) 14.957 3.862 ( -11.173 9.690 2.110) 14.940 3.996 ( 1.364 -5.989 -0.509) 6.164 4.102 ( -1.350 -4.849 -1.316) 5.203 4.183 ( 2.800 1.725 0.099) 3.290 4.370 ( 0.661 -2.535 1.748) 3.149 4.508 ( -2.035 1.727 -4.816) 5.506 4.601 ( 3.526 5.784 3.467) 7.610 4.752 ( -2.296 9.178 -4.743) 10.584 4.843 ( -1.323 -0.267 -1.547) 2.053 4.914 ( 2.600 6.355 -1.962) 7.142 5.237 ( 1.952 1.545 8.821) 9.166 5.338 ( 4.075 -5.852 5.313) 8.893 5.551 ( -2.279 -2.536 1.015) 3.557 5.659 ( -0.447 8.543 -1.042) 8.618 5.970 ( -3.913 -1.713 -2.654) 5.029 6.030 ( -0.153 -0.245 -1.605) 1.631 6.260 ( 0.369 -5.915 1.696) 6.164 6.371 ( 4.757 -1.917 0.286) 5.137 6.491 ( 0.223 -3.879 2.411) 4.572 6.634 ( 3.892 -6.651 -0.507) 7.723 7.016 ( -7.284 -0.361 -0.978) 7.358 7.169 ( 5.059 -1.483 -0.297) 5.280 7.935 ( -9.699 4.349 -2.016) 10.819 8.213 ( 3.125 -0.257 -4.559) 5.533 8.544 ( -1.354 3.394 2.252) 4.292 8.639 ( 6.211 7.336 1.367) 9.709 9.909 ( -0.489 0.100 1.549) 1.627 10.007 ( 0.414 0.470 -2.739) 2.809 10.129 ( 0.372 1.175 2.141) 2.470 10.187 ( 0.781 1.331 -0.783) 1.731 11.311 ( 4.834 0.804 4.128) 6.407 11.421 ( -3.624 3.215 -6.285) 7.935 11.720 ( 0.229 5.761 1.428) 5.940 11.763 ( 1.988 9.238 0.289) 9.454 12.458 ( 0.444 1.965 2.602) 3.290 12.664 ( 0.209 1.230 -6.168) 6.292 12.997 ( -2.317 0.463 8.322) 8.651 13.355 ( -3.514 -3.891 -6.580) 8.414 13.555 ( -3.563 -6.654 0.060) 7.548 13.752 ( 5.155 -3.263 -5.191) 8.010 14.151 ( -1.040 -2.850 5.913) 6.646 14.323 ( 0.734 -5.937 -1.519) 6.172 14.490 ( -0.768 -5.220 0.484) 5.299 14.527 ( 1.333 -3.913 0.096) 4.135 17.490 ( -1.658 -2.956 -0.208) 3.396 17.537 ( 2.097 -3.184 -0.523) 3.848 17.695 ( -1.969 3.685 0.891) 4.272 17.755 ( 1.677 4.944 -0.221) 5.225 19.571 ( -0.442 0.668 0.201) 0.826 19.608 ( 0.142 0.400 -1.289) 1.357 19.697 ( 0.096 -2.614 1.956) 3.266 19.773 ( 0.450 -3.891 -1.094) 4.067 19.949 ( -0.251 -0.655 1.694) 1.833 20.006 ( -1.022 -0.697 -1.825) 2.205 20.094 ( 0.334 -2.615 1.068) 2.845 20.120 ( -0.100 -4.283 -0.194) 4.288 20.233 ( -1.453 -0.550 1.609) 2.237 20.439 ( 2.416 -3.785 -3.150) 5.485 21.136 ( 0.481 -3.353 2.477) 4.197 21.200 ( 0.568 -0.686 -0.761) 1.172 21.474 ( -0.240 0.866 2.361) 2.526 21.545 ( -0.622 0.706 -1.073) 1.427 27.441 ( -0.299 0.749 -0.372) 0.888 27.445 ( 0.144 0.685 -0.017) 0.700 27.511 ( -0.245 0.532 0.559) 0.809 27.537 ( -0.211 0.339 -0.411) 0.573 28.368 ( -0.086 0.667 0.412) 0.788 28.387 ( 0.212 0.863 -0.077) 0.892 34.539 ( -2.469 8.029 1.958) 8.625 34.618 ( -3.578 7.899 -0.940) 8.723 34.973 ( 2.801 8.560 4.301) 9.981 35.188 ( 6.429 9.008 -3.794) 11.699 37.400 ( -0.775 12.710 1.774) 12.857 37.535 ( 2.258 13.924 -1.874) 14.230 38.182 ( 13.543 0.857 8.575) 16.052 38.388 ( -5.578 -0.252 -12.352) 13.555 39.660 ( 1.908 3.103 5.472) 6.574 39.974 ( -1.579 0.946 -11.543) 11.689 42.172 ( -11.609 -11.769 2.852) 16.775 42.425 ( 0.533 -12.364 2.028) 12.540 ======================= Grid point 89 (37/90) ======================= q-point: (-0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -12.770 14.282 -0.806) 19.175 1.136 ( -22.053 14.453 -8.291) 27.640 1.341 ( -6.300 2.908 -4.629) 8.341 1.478 ( -3.947 2.341 -3.982) 6.076 1.565 ( -3.492 0.078 4.216) 5.475 1.624 ( -1.454 1.554 -3.416) 4.025 1.689 ( 3.299 2.664 3.883) 5.750 1.787 ( -3.623 3.553 -5.422) 7.426 1.935 ( -3.725 21.190 2.584) 21.669 2.058 ( -2.685 17.376 -4.775) 18.219 2.374 ( -6.493 11.836 3.524) 13.952 2.517 ( 5.790 2.998 8.949) 11.073 2.605 ( 1.521 1.417 3.147) 3.772 2.623 ( 0.801 -2.844 -1.405) 3.271 2.901 ( 1.385 3.298 -0.433) 3.603 2.990 ( 2.765 -3.545 0.950) 4.595 3.099 ( 5.009 -1.764 7.097) 8.864 3.291 ( -0.648 0.147 -0.082) 0.670 3.397 ( -2.122 1.585 -1.994) 3.315 3.415 ( -1.462 -2.386 -4.588) 5.374 3.594 ( -5.320 3.500 4.978) 8.083 3.658 ( -1.536 7.078 -1.833) 7.471 3.910 ( 1.518 -8.348 -2.505) 8.847 3.941 ( 3.706 -6.728 -2.166) 7.980 4.118 ( 0.815 -4.277 -0.722) 4.414 4.203 ( -1.189 0.629 1.363) 1.915 4.418 ( 1.714 -2.065 -2.330) 3.554 4.473 ( 0.555 1.891 -0.311) 1.996 4.625 ( -2.834 0.989 -0.505) 3.044 4.670 ( -3.414 10.812 -5.170) 12.461 4.807 ( 0.211 -1.654 -0.758) 1.832 4.983 ( -0.261 10.593 3.299) 11.098 5.261 ( -0.854 0.677 6.423) 6.514 5.358 ( -1.071 -4.857 -2.125) 5.409 5.504 ( -1.159 -4.764 0.084) 4.903 5.664 ( 0.463 -0.886 2.169) 2.389 5.907 ( -0.938 0.344 -0.946) 1.376 6.031 ( -0.256 2.375 2.124) 3.196 6.307 ( 3.488 -6.050 0.725) 7.021 6.482 ( 5.064 -4.388 3.087) 7.378 6.534 ( 3.787 -0.130 -1.037) 3.929 6.754 ( 4.604 -6.578 1.208) 8.119 6.896 ( -0.774 3.024 -2.880) 4.247 7.209 ( -0.958 -3.638 0.357) 3.779 7.808 ( -2.681 3.807 1.797) 4.991 8.192 ( -3.751 2.623 0.362) 4.591 8.476 ( -2.205 6.028 -8.723) 10.830 8.826 ( 7.519 1.910 4.512) 8.975 9.903 ( -0.049 -0.351 2.644) 2.667 10.020 ( 0.969 -0.189 -2.200) 2.412 10.141 ( 0.856 0.440 1.400) 1.699 10.214 ( 1.645 2.397 -1.096) 3.107 11.330 ( -2.765 2.332 -5.134) 6.280 11.450 ( 5.890 -1.204 3.035) 6.735 11.729 ( 0.802 6.546 2.335) 6.996 11.852 ( 6.135 11.821 0.106) 13.319 12.486 ( 1.974 1.579 1.250) 2.821 12.642 ( -1.570 1.088 -3.842) 4.290 12.939 ( -3.878 -1.991 4.888) 6.549 13.261 ( -4.572 -0.600 -3.768) 5.955 13.468 ( -4.725 -5.482 -1.637) 7.420 13.823 ( 1.760 -5.550 -5.089) 7.733 14.150 ( 0.358 -2.532 4.888) 5.516 14.342 ( 1.227 -5.347 -0.675) 5.528 14.465 ( -1.459 -5.480 -0.944) 5.749 14.546 ( 0.176 -3.923 0.382) 3.946 17.462 ( -1.012 -1.784 0.149) 2.057 17.587 ( 2.602 -3.300 -0.630) 4.250 17.645 ( -2.367 2.376 -0.057) 3.354 17.784 ( 0.772 4.482 0.138) 4.550 19.565 ( -0.057 0.156 0.273) 0.319 19.609 ( 0.015 0.880 -0.970) 1.310 19.699 ( 0.038 -3.366 0.808) 3.462 19.777 ( -0.085 -2.597 -0.250) 2.611 19.929 ( -1.781 -1.537 1.418) 2.747 19.985 ( -0.857 0.378 -1.282) 1.588 20.099 ( -0.106 -2.749 0.659) 2.829 20.106 ( -1.241 -4.286 -0.026) 4.462 20.231 ( 1.408 -0.406 -0.939) 1.740 20.473 ( 0.893 -4.985 -1.381) 5.249 21.143 ( 0.208 -3.432 1.457) 3.734 21.233 ( 2.454 -1.426 0.183) 2.844 21.459 ( -1.412 -0.105 1.837) 2.319 21.533 ( -0.453 1.118 0.406) 1.272 27.429 ( -0.663 0.758 -0.956) 1.388 27.448 ( -0.119 0.104 0.633) 0.652 27.507 ( -0.189 0.907 0.292) 0.972 27.531 ( -0.260 0.624 -0.149) 0.692 28.368 ( -0.029 0.472 0.231) 0.526 28.391 ( 0.190 0.973 0.102) 0.996 34.463 ( -4.272 6.907 0.878) 8.168 34.509 ( -5.706 6.994 -0.493) 9.040 35.071 ( 5.409 8.312 5.840) 11.508 35.453 ( 19.693 18.831 -2.590) 27.370 37.409 ( 1.824 15.335 2.163) 15.594 37.614 ( 6.095 17.085 -0.505) 18.147 38.266 ( -5.079 1.614 -16.616) 17.450 38.579 ( 22.200 -0.687 9.124) 24.012 39.717 ( 3.469 2.490 5.483) 6.949 39.930 ( -1.151 0.957 -12.199) 12.290 41.850 ( -20.232 -12.973 -2.607) 24.175 42.317 ( -12.316 -11.946 6.709) 18.423 ======================= Grid point 90 (38/90) ======================= q-point: (-0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -8.163 23.825 0.462) 25.189 0.714 ( -12.086 11.886 10.083) 19.724 1.223 ( -3.591 4.972 -6.773) 9.138 1.351 ( -8.488 20.993 9.068) 24.392 1.428 ( -4.932 0.961 -2.402) 5.570 1.593 ( 0.629 5.194 -3.294) 6.183 1.676 ( -5.125 1.545 -4.561) 7.033 1.835 ( -1.169 4.817 -3.514) 6.076 1.921 ( 6.208 12.479 12.593) 18.785 1.949 ( -5.505 17.422 -11.230) 21.446 2.342 ( 1.471 12.160 11.400) 16.733 2.540 ( -2.779 -2.879 0.671) 4.058 2.641 ( 3.882 0.307 2.770) 4.778 2.759 ( 7.265 0.249 2.974) 7.854 2.896 ( -0.112 3.897 1.554) 4.197 3.007 ( -2.553 6.769 -1.958) 7.495 3.169 ( -6.698 1.440 -10.095) 12.200 3.196 ( -2.174 1.216 -2.179) 3.310 3.346 ( 1.199 -1.719 0.461) 2.146 3.441 ( 0.011 -4.386 1.352) 4.590 3.534 ( 0.509 0.231 2.927) 2.980 3.656 ( 0.839 3.399 -1.200) 3.700 3.893 ( -0.486 -1.339 -0.819) 1.643 4.028 ( 1.694 -5.885 0.258) 6.129 4.139 ( 1.513 -1.867 -0.983) 2.596 4.175 ( -0.848 1.827 0.611) 2.105 4.406 ( -0.992 0.066 -5.129) 5.224 4.510 ( 0.140 6.756 0.581) 6.783 4.545 ( -1.899 -1.774 -1.942) 3.244 4.601 ( -2.311 5.437 -4.407) 7.371 4.835 ( 1.644 -0.786 1.709) 2.498 4.932 ( -2.586 12.304 1.800) 12.701 5.186 ( -5.350 -0.661 1.187) 5.519 5.329 ( -3.057 0.687 -1.538) 3.490 5.507 ( 0.768 -9.304 2.185) 9.588 5.665 ( -0.812 -8.750 1.084) 8.854 5.924 ( 2.084 0.525 -1.322) 2.523 6.017 ( -2.434 -3.802 4.857) 6.631 6.371 ( 2.040 -3.094 1.430) 3.972 6.570 ( 1.947 -4.365 -0.079) 4.780 6.607 ( 4.029 -0.396 3.806) 5.557 6.780 ( 1.892 -1.876 0.035) 2.665 7.054 ( 10.954 6.203 -3.783) 13.145 7.166 ( -2.506 -6.263 -0.715) 6.783 7.791 ( 0.067 0.601 3.927) 3.973 8.122 ( -2.911 5.383 -1.902) 6.408 8.437 ( 1.468 6.309 -0.106) 6.479 8.927 ( 1.810 0.336 1.045) 2.117 9.917 ( 0.741 -2.337 4.708) 5.308 10.036 ( 0.660 -0.778 -0.705) 1.240 10.171 ( 1.685 -0.152 0.687) 1.826 10.249 ( 1.944 1.991 -2.426) 3.692 11.302 ( 1.635 1.658 0.479) 2.378 11.551 ( 3.094 -3.782 0.906) 4.970 11.763 ( 1.957 6.534 5.530) 8.781 11.994 ( 7.054 13.190 -2.647) 15.190 12.537 ( 2.931 1.622 -0.726) 3.428 12.608 ( -1.454 -0.123 -0.949) 1.740 12.865 ( -1.733 -0.637 0.399) 1.889 13.177 ( -3.248 4.448 -2.385) 6.002 13.373 ( -3.412 -3.841 -1.357) 5.314 13.775 ( -7.325 -9.857 -6.643) 13.962 14.170 ( 1.038 -2.184 3.682) 4.405 14.368 ( 0.775 -6.016 0.199) 6.069 14.431 ( -1.402 -2.976 -2.132) 3.920 14.527 ( -2.005 -3.438 -0.432) 4.003 17.450 ( -0.213 -0.527 0.981) 1.134 17.592 ( -1.836 -1.289 -2.006) 3.009 17.653 ( 2.940 -0.744 0.266) 3.044 17.781 ( -1.156 2.839 0.023) 3.066 19.568 ( 0.316 -0.188 0.703) 0.793 19.613 ( 0.690 1.484 -0.549) 1.727 19.700 ( -0.066 -3.522 -0.030) 3.523 19.762 ( -1.563 -2.109 0.323) 2.645 19.892 ( -1.235 -1.051 0.325) 1.654 19.962 ( -1.423 1.535 -1.529) 2.592 20.077 ( -0.893 -3.439 -0.141) 3.555 20.097 ( -0.242 -2.342 0.035) 2.355 20.278 ( 2.906 -1.428 -1.426) 3.538 20.449 ( -4.041 -7.320 0.090) 8.362 21.156 ( 0.985 -2.628 1.846) 3.359 21.287 ( 2.372 -2.636 -0.779) 3.631 21.425 ( -1.763 -0.057 0.600) 1.863 21.509 ( -3.091 -1.091 0.347) 3.296 27.413 ( -0.570 0.633 -0.528) 1.002 27.442 ( -0.480 -0.001 0.350) 0.594 27.504 ( -0.098 1.086 0.208) 1.110 27.528 ( -0.115 0.808 0.086) 0.821 28.369 ( 0.190 0.682 0.043) 0.709 28.393 ( -0.078 1.046 0.104) 1.054 34.386 ( -2.866 5.731 0.079) 6.408 34.407 ( -3.780 6.652 -0.055) 7.651 35.188 ( 4.812 9.110 8.681) 13.472 35.983 ( 26.918 20.510 -15.824) 37.358 37.491 ( 4.765 21.392 1.151) 21.947 37.871 ( 15.538 33.445 -12.739) 39.016 38.194 ( 14.186 1.862 11.430) 18.312 39.026 ( 16.533 -1.580 6.974) 18.013 39.849 ( 9.088 -0.738 1.394) 9.224 39.923 ( 3.183 1.674 -8.446) 9.180 41.309 ( -30.713 -10.862 -2.864) 32.702 41.897 ( -28.843 -10.849 7.012) 31.604 ======================= Grid point 91 (39/90) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.649 18.762 5.406) 19.594 1.240 ( 9.801 16.118 10.834) 21.754 1.290 ( 1.384 6.419 -5.907) 8.833 1.480 ( 2.776 4.496 -0.380) 5.297 1.537 ( -0.994 1.980 1.783) 2.844 1.600 ( -1.391 9.219 3.896) 10.105 1.752 ( 1.241 5.462 -1.224) 5.734 2.028 ( 0.919 2.894 3.819) 4.879 2.154 ( -3.208 19.046 -6.286) 20.311 2.477 ( 2.507 13.661 -0.516) 13.898 2.551 ( -2.321 18.277 -1.120) 18.458 2.632 ( -5.317 3.916 6.384) 9.185 2.718 ( 0.729 12.875 2.351) 13.108 2.901 ( 0.461 2.125 -5.008) 5.459 2.981 ( -0.058 5.835 -2.684) 6.423 3.029 ( -6.199 8.325 0.975) 10.425 3.122 ( -1.405 8.193 -8.128) 11.626 3.248 ( 2.914 2.409 -3.559) 5.193 3.343 ( -3.408 5.965 6.495) 9.454 3.498 ( -1.019 1.351 4.283) 4.605 3.623 ( 7.821 9.312 0.610) 12.176 3.731 ( 1.015 3.301 -4.390) 5.585 3.884 ( 1.053 0.101 1.407) 1.760 3.972 ( -2.621 -1.157 0.394) 2.892 4.189 ( 2.274 2.795 -0.773) 3.686 4.218 ( -2.841 4.286 -2.772) 5.842 4.376 ( -0.043 -3.031 1.268) 3.286 4.431 ( 0.114 -3.430 -3.299) 4.760 4.606 ( -0.981 0.880 1.543) 2.029 4.685 ( 1.725 -1.066 -0.061) 2.029 4.861 ( 1.688 -3.353 0.657) 3.811 4.916 ( -2.537 -4.824 -5.250) 7.567 5.146 ( 0.959 0.424 5.075) 5.182 5.362 ( -3.115 8.315 -3.928) 9.710 5.419 ( 0.781 -0.182 4.496) 4.567 5.586 ( -0.446 4.857 -2.715) 5.582 5.841 ( -2.978 -3.272 3.004) 5.348 5.946 ( 2.777 -2.913 1.062) 4.162 6.334 ( 1.913 -6.470 2.365) 7.150 6.433 ( -2.792 -7.620 -1.431) 8.240 6.615 ( 0.906 -3.481 5.609) 6.663 6.856 ( 6.610 -4.304 -2.377) 8.238 6.957 ( -6.373 -5.991 2.073) 8.989 7.143 ( -0.671 -2.569 -7.155) 7.632 7.873 ( 2.758 7.029 6.415) 9.908 8.173 ( -4.574 7.641 -6.486) 11.017 8.660 ( 6.459 2.984 5.975) 9.291 8.876 ( -2.890 -1.504 -3.981) 5.144 9.902 ( -0.217 0.516 3.866) 3.907 10.025 ( 0.360 -0.991 -0.807) 1.327 10.169 ( -0.290 -1.167 0.579) 1.335 10.259 ( -0.076 -2.145 -2.362) 3.191 11.390 ( 2.451 0.614 3.003) 3.924 11.500 ( -0.271 -2.197 -2.046) 3.015 11.911 ( 0.093 5.723 5.952) 8.257 12.119 ( 0.246 -1.501 -2.446) 2.881 12.567 ( -0.578 1.562 0.557) 1.756 12.661 ( 1.022 4.096 -3.626) 5.565 13.022 ( -0.080 0.532 2.354) 2.415 13.208 ( 1.224 -4.703 -6.182) 7.863 13.278 ( 1.894 -2.219 2.224) 3.668 13.405 ( -3.034 -1.854 -3.002) 4.653 14.139 ( 0.765 -3.601 2.077) 4.227 14.217 ( -0.770 -6.706 -0.632) 6.779 14.391 ( -0.681 -2.511 -0.145) 2.605 14.430 ( -0.185 -4.020 -0.517) 4.057 17.447 ( 0.080 -0.787 1.265) 1.492 17.526 ( -0.075 -1.877 -2.346) 3.005 17.705 ( -0.008 0.128 1.686) 1.690 17.770 ( -0.043 0.915 -1.188) 1.500 19.573 ( 1.160 -1.601 1.279) 2.355 19.609 ( -0.225 -4.721 -0.541) 4.757 19.634 ( 0.482 -4.673 0.339) 4.710 19.677 ( -0.908 0.911 -1.048) 1.659 19.908 ( 0.241 0.355 0.565) 0.710 19.941 ( -0.469 -1.320 -1.060) 1.757 20.015 ( 0.541 -2.236 0.560) 2.367 20.059 ( 0.146 -0.397 -2.131) 2.172 20.251 ( -3.271 -1.142 2.833) 4.475 20.301 ( 1.114 -1.454 -0.202) 1.843 21.156 ( 0.708 -0.431 2.338) 2.480 21.254 ( -0.902 -2.930 -1.757) 3.533 21.416 ( -1.325 0.146 0.280) 1.362 21.437 ( 0.822 0.987 -0.460) 1.364 27.422 ( 0.454 0.332 0.254) 0.618 27.434 ( -0.260 0.008 -0.232) 0.348 27.519 ( -0.067 0.665 0.726) 0.987 27.544 ( 0.023 0.818 -0.357) 0.892 28.400 ( 0.268 1.249 0.284) 1.309 28.415 ( -0.250 1.468 -0.331) 1.525 34.512 ( 0.267 9.672 0.541) 9.690 34.531 ( -0.458 10.047 -0.269) 10.061 35.572 ( 2.209 17.384 9.777) 20.067 36.231 ( -6.895 2.860 -18.376) 19.834 38.005 ( -0.007 21.555 -2.115) 21.658 38.129 ( -5.876 13.664 -7.374) 16.602 39.112 ( -4.361 -4.080 2.816) 6.603 39.151 ( 14.724 -5.040 4.026) 16.075 39.920 ( -2.965 -3.175 2.000) 4.782 40.049 ( 4.158 1.641 -4.193) 6.129 40.859 ( 7.529 -9.886 9.819) 15.838 41.167 ( -1.734 -12.484 -4.409) 13.353 ======================= Grid point 92 (40/90) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 8.909 15.887 4.156) 18.682 1.299 ( 3.407 7.025 -8.606) 11.620 1.432 ( 3.946 1.293 2.516) 4.855 1.533 ( -4.072 7.156 -1.799) 8.428 1.565 ( 4.915 2.900 -2.918) 6.409 1.627 ( 4.068 9.712 2.983) 10.944 1.848 ( 9.312 5.423 10.509) 15.053 1.942 ( -4.333 11.101 -11.318) 16.435 2.166 ( 2.571 11.590 9.679) 15.318 2.357 ( -8.094 6.713 -6.907) 12.581 2.525 ( -2.958 6.129 6.203) 9.208 2.628 ( 0.865 9.702 5.594) 11.233 2.690 ( -2.036 11.882 -0.130) 12.055 2.827 ( -0.432 6.374 -4.044) 7.561 2.967 ( -0.780 8.123 -1.122) 8.237 2.993 ( -2.917 8.056 -2.021) 8.803 3.108 ( -0.176 12.133 -1.009) 12.176 3.228 ( -3.721 -0.624 2.874) 4.743 3.360 ( 2.782 9.621 -3.553) 10.626 3.490 ( 0.827 0.657 3.764) 3.910 3.716 ( -0.207 1.041 -1.674) 1.983 3.749 ( 2.325 12.261 -2.237) 12.678 3.887 ( -3.864 -2.897 -1.449) 5.042 3.951 ( 2.083 -0.577 4.354) 4.861 4.097 ( -7.334 0.494 -3.762) 8.257 4.216 ( 1.865 2.631 0.550) 3.272 4.413 ( 2.880 -3.766 -2.398) 5.312 4.437 ( 0.758 -2.449 -0.425) 2.599 4.582 ( -0.519 0.747 0.159) 0.923 4.722 ( 1.101 -3.529 2.890) 4.692 4.880 ( 2.664 -2.442 -5.778) 6.815 4.961 ( 3.801 -4.983 1.689) 6.491 5.112 ( -3.681 7.344 0.949) 8.270 5.320 ( -1.896 5.537 -1.981) 6.178 5.447 ( 1.284 -5.350 6.234) 8.315 5.617 ( 4.383 8.878 -1.702) 10.046 5.863 ( 3.619 -1.063 -1.235) 3.969 6.023 ( 4.160 -2.000 2.878) 5.440 6.314 ( -5.118 -7.813 0.374) 9.348 6.371 ( -1.243 -5.809 1.201) 6.060 6.635 ( 0.601 -2.606 3.554) 4.448 6.769 ( -11.021 -7.030 0.397) 13.079 6.919 ( -1.885 -2.093 -4.797) 5.563 7.113 ( 0.895 -1.987 -0.817) 2.328 7.963 ( 3.707 6.786 5.924) 9.741 8.136 ( 3.013 7.657 -3.550) 8.961 8.695 ( -5.467 0.128 -1.369) 5.637 8.858 ( 2.605 0.583 -0.467) 2.710 9.904 ( 0.129 0.858 3.273) 3.386 10.032 ( 0.482 -0.545 -1.372) 1.553 10.154 ( -1.147 -0.687 1.218) 1.809 10.246 ( -0.924 -1.649 -2.089) 2.817 11.376 ( -3.461 -0.863 -0.616) 3.620 11.529 ( 2.531 0.077 -0.425) 2.567 11.901 ( -1.399 6.471 4.941) 8.261 12.133 ( -0.660 -0.821 -1.657) 1.963 12.595 ( 2.854 0.864 -1.616) 3.391 12.627 ( -3.226 4.387 -0.929) 5.524 12.897 ( -4.809 1.812 0.212) 5.143 13.239 ( 1.035 -3.520 0.499) 3.703 13.355 ( 3.584 -6.480 3.319) 8.115 13.482 ( 6.858 -2.680 -8.204) 11.024 14.149 ( -0.214 -4.316 2.875) 5.190 14.197 ( -0.928 -5.790 -0.893) 5.931 14.362 ( -1.412 -3.460 -0.093) 3.738 14.426 ( -0.295 -4.266 -0.356) 4.291 17.435 ( -0.878 -1.771 0.591) 2.064 17.539 ( 0.404 -2.479 -1.570) 2.962 17.666 ( -0.984 1.894 0.607) 2.219 17.826 ( 3.057 1.373 -0.172) 3.355 19.587 ( -0.977 -3.194 -0.395) 3.363 19.599 ( 0.057 -4.542 -0.044) 4.542 19.618 ( -0.144 -0.958 0.448) 1.068 19.705 ( 1.300 -2.187 0.096) 2.546 19.881 ( -0.762 -0.184 0.201) 0.809 19.969 ( 1.746 -1.439 -0.418) 2.301 20.024 ( 0.060 -2.731 0.299) 2.748 20.051 ( -0.398 -0.882 -1.810) 2.052 20.219 ( 0.332 0.683 0.703) 1.035 20.319 ( 0.120 -1.832 1.226) 2.207 21.141 ( -1.929 0.298 2.129) 2.888 21.221 ( -1.549 -2.445 -1.456) 3.240 21.415 ( 1.155 0.323 0.455) 1.282 21.489 ( 3.159 -0.075 -0.089) 3.161 27.431 ( 0.080 0.268 -0.333) 0.435 27.443 ( 1.198 -0.215 0.290) 1.252 27.521 ( 0.115 0.545 0.642) 0.850 27.544 ( 0.045 0.965 -0.361) 1.031 28.399 ( -0.232 1.225 0.023) 1.247 28.410 ( -0.195 1.494 0.017) 1.507 34.541 ( 2.854 9.476 0.047) 9.897 34.575 ( 4.219 10.620 0.380) 11.434 35.567 ( -4.116 17.437 11.122) 21.088 35.936 ( -17.007 9.241 -14.977) 24.473 37.932 ( -6.249 19.963 -0.241) 20.919 38.030 ( -3.033 19.347 -1.814) 19.667 38.752 ( -26.188 -2.086 -5.154) 26.772 39.041 ( -16.018 -5.713 6.053) 18.052 39.776 ( -5.759 3.190 -0.234) 6.588 40.067 ( -0.664 3.247 -4.028) 5.216 41.166 ( 21.383 -18.976 0.692) 28.597 41.642 ( 27.284 -23.632 2.242) 36.165 ======================= Grid point 93 (41/90) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 8.708 10.294 1.839) 13.608 1.378 ( 0.379 12.457 -8.312) 14.981 1.444 ( 2.593 1.935 -3.814) 5.001 1.505 ( 2.176 -1.097 2.477) 3.474 1.633 ( 0.679 0.608 -1.206) 1.512 1.709 ( 5.847 5.769 -5.310) 9.781 1.850 ( 1.792 11.817 -8.489) 14.659 2.148 ( 5.796 13.612 5.324) 15.723 2.222 ( 1.835 2.214 -3.332) 4.401 2.242 ( 2.750 5.743 10.884) 12.610 2.418 ( -8.315 0.410 5.037) 9.730 2.637 ( 2.562 0.579 3.586) 4.445 2.698 ( 1.695 10.642 1.972) 10.955 2.822 ( -2.623 11.243 -1.627) 11.659 2.893 ( -1.883 5.195 -3.030) 6.302 2.958 ( -1.850 9.479 -2.025) 9.868 3.139 ( 1.884 13.355 5.407) 14.531 3.194 ( 1.126 -3.748 2.934) 4.891 3.369 ( -1.837 8.920 -2.302) 9.393 3.489 ( -3.415 0.904 -1.330) 3.775 3.654 ( -6.024 -8.115 -1.779) 10.261 3.748 ( -2.469 1.726 -0.655) 3.083 3.776 ( -4.765 4.391 -2.016) 6.786 3.971 ( -0.106 2.201 0.820) 2.351 4.014 ( 2.032 -1.393 -0.574) 2.530 4.278 ( 2.096 -0.455 1.143) 2.430 4.415 ( -2.562 -5.057 -1.932) 5.989 4.490 ( 4.316 2.369 -3.745) 6.186 4.616 ( 4.115 0.460 1.265) 4.330 4.758 ( 1.502 1.912 3.243) 4.053 4.918 ( 0.594 1.459 -2.190) 2.698 5.021 ( 1.615 -11.218 -0.368) 11.340 5.089 ( 2.358 8.644 0.789) 8.994 5.241 ( -4.540 2.667 -0.736) 5.317 5.500 ( 2.658 -0.989 6.251) 6.865 5.716 ( 4.087 5.493 -1.970) 7.124 5.927 ( 1.508 -0.023 -1.453) 2.095 6.109 ( 3.467 2.509 1.513) 4.539 6.210 ( -3.198 -6.451 -0.860) 7.251 6.346 ( -2.055 -2.901 3.443) 4.949 6.522 ( -9.313 -4.055 0.577) 10.174 6.661 ( -2.417 -3.271 0.176) 4.071 6.858 ( 0.683 -1.405 -2.039) 2.569 7.148 ( 0.688 -4.179 -0.061) 4.236 8.020 ( 2.516 3.264 0.518) 4.154 8.257 ( 5.092 6.331 1.638) 8.288 8.547 ( -5.502 5.187 -3.640) 8.392 8.888 ( -0.516 3.271 0.387) 3.334 9.913 ( 0.341 0.754 2.287) 2.432 10.040 ( 0.230 0.133 -2.935) 2.947 10.128 ( -1.126 -0.494 2.162) 2.488 10.222 ( -1.117 -0.546 -1.082) 1.648 11.306 ( -2.404 1.483 -0.591) 2.886 11.565 ( 0.944 1.739 -1.897) 2.741 11.872 ( -1.757 6.205 3.655) 7.413 12.058 ( -5.230 6.140 -1.495) 8.203 12.555 ( -2.618 3.773 1.880) 4.963 12.662 ( 2.439 1.417 -3.692) 4.646 12.907 ( 4.556 -1.278 1.331) 4.916 13.261 ( 0.449 -4.849 1.355) 5.055 13.424 ( 2.631 -7.392 2.805) 8.332 13.564 ( 2.077 -4.471 -8.384) 9.726 14.134 ( -1.451 -4.526 2.962) 5.601 14.180 ( -0.646 -5.999 -0.151) 6.036 14.351 ( 0.541 -4.956 -0.126) 4.987 14.416 ( -0.743 -5.741 -0.255) 5.795 17.424 ( -0.095 -2.576 0.138) 2.582 17.513 ( -2.233 -3.622 -0.857) 4.341 17.699 ( 3.314 3.953 0.539) 5.187 17.864 ( 0.487 2.955 -0.060) 2.996 19.567 ( -0.475 -3.346 -0.422) 3.406 19.606 ( 0.819 -2.968 -0.548) 3.127 19.618 ( -0.391 -1.776 0.308) 1.844 19.703 ( -1.025 -2.156 0.738) 2.498 19.898 ( 1.701 -1.321 0.581) 2.230 19.997 ( 0.931 -2.526 0.115) 2.694 20.015 ( -0.688 -2.108 -0.583) 2.293 20.047 ( 0.039 -2.789 -0.680) 2.871 20.246 ( 1.391 -0.536 -0.009) 1.491 20.312 ( -0.348 -1.243 0.220) 1.309 21.106 ( -1.415 -0.208 2.024) 2.478 21.191 ( -1.171 -2.072 -1.125) 2.632 21.448 ( 1.705 0.211 0.814) 1.900 21.540 ( 1.534 -0.867 -0.076) 1.764 27.435 ( 0.313 0.240 -0.126) 0.414 27.465 ( 0.772 0.122 0.096) 0.788 27.524 ( 0.093 0.438 0.504) 0.674 27.545 ( 0.064 0.902 -0.424) 0.998 28.396 ( -0.042 1.167 -0.006) 1.168 28.405 ( -0.262 1.555 0.165) 1.586 34.630 ( 5.349 9.965 0.250) 11.313 34.689 ( 6.368 11.188 0.547) 12.885 35.430 ( -9.314 17.826 7.216) 21.368 35.586 ( -14.533 9.789 -6.998) 18.869 37.811 ( -4.825 18.082 1.558) 18.780 37.965 ( -3.553 20.855 0.849) 21.173 38.247 ( -17.791 1.932 -7.212) 19.294 38.727 ( -13.389 -4.438 1.894) 14.232 39.712 ( -1.014 5.787 1.544) 6.075 40.062 ( 0.224 3.210 -6.113) 6.909 41.608 ( 19.170 -21.051 0.074) 28.472 42.009 ( 8.495 -22.923 3.108) 24.643 ======================= Grid point 94 (42/90) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 1.599 9.212 2.294) 9.627 1.387 ( 4.141 3.293 -4.928) 7.230 1.487 ( -0.229 3.060 -0.308) 3.084 1.575 ( 2.446 4.763 0.145) 5.356 1.624 ( -0.373 3.429 0.587) 3.499 1.846 ( 7.904 7.916 -4.586) 12.090 1.950 ( 3.287 6.638 -5.690) 9.340 2.052 ( -3.656 6.177 -6.768) 9.866 2.229 ( -7.082 0.907 3.515) 7.958 2.315 ( 1.627 11.208 9.226) 14.608 2.406 ( 4.553 1.803 -1.688) 5.180 2.665 ( -4.655 8.593 -2.520) 10.093 2.721 ( 2.986 0.423 5.045) 5.878 2.805 ( 4.728 11.441 2.665) 12.663 2.916 ( 0.354 13.695 -7.061) 15.412 2.971 ( 4.547 -2.188 5.888) 7.754 3.139 ( -5.523 0.192 -1.651) 5.768 3.198 ( -0.771 -2.252 3.112) 3.918 3.280 ( -3.337 -2.753 3.022) 5.277 3.338 ( -7.793 -0.298 -2.739) 8.265 3.543 ( -1.215 -3.235 0.175) 3.460 3.674 ( -3.491 4.943 -1.504) 6.236 3.803 ( 6.116 0.822 -0.958) 6.245 4.004 ( 0.690 0.670 -1.445) 1.736 4.072 ( 2.895 0.357 1.223) 3.164 4.255 ( -3.814 -3.697 -2.523) 5.880 4.349 ( -3.651 -1.115 2.269) 4.441 4.562 ( 2.447 2.956 -3.999) 5.543 4.730 ( 5.627 5.162 1.952) 7.881 4.787 ( 1.502 4.599 2.654) 5.518 4.900 ( -2.274 -2.704 -0.145) 3.536 5.015 ( -2.050 -1.809 -4.695) 5.433 5.142 ( 1.504 -2.853 2.800) 4.271 5.213 ( 2.571 1.232 -0.382) 2.877 5.552 ( 1.273 3.350 7.701) 8.494 5.768 ( 1.388 0.887 -2.734) 3.192 5.912 ( -1.052 -1.152 -0.015) 1.560 6.131 ( -2.520 3.965 -3.650) 5.949 6.223 ( 4.182 -1.571 0.778) 4.534 6.284 ( -3.710 -0.221 1.781) 4.121 6.409 ( -1.033 -3.138 2.474) 4.127 6.568 ( -4.636 -0.388 0.401) 4.670 6.969 ( 7.693 -2.840 -0.645) 8.225 7.111 ( -4.336 -3.985 -0.279) 5.896 8.095 ( 4.768 0.280 -1.769) 5.094 8.201 ( -8.165 0.710 -2.597) 8.597 8.583 ( 6.284 11.875 3.429) 13.866 8.842 ( -3.245 7.194 -1.174) 7.979 9.920 ( 0.038 0.535 1.622) 1.709 10.028 ( -0.744 0.519 -3.447) 3.564 10.130 ( 0.867 -0.171 2.462) 2.616 10.198 ( -0.904 -0.278 -0.556) 1.098 11.291 ( 0.902 2.750 2.128) 3.593 11.558 ( -1.444 3.230 -4.692) 5.876 11.845 ( -0.829 6.036 3.098) 6.836 11.968 ( -2.532 9.185 -1.344) 9.622 12.516 ( -1.405 3.109 2.978) 4.529 12.696 ( 1.428 2.843 -5.456) 6.315 13.009 ( 3.227 -0.521 4.625) 5.664 13.249 ( -1.064 -8.348 -1.871) 8.621 13.448 ( -1.204 -9.133 3.585) 9.885 13.598 ( 3.059 -3.273 -8.096) 9.253 14.104 ( -1.592 -4.052 3.660) 5.688 14.173 ( 0.049 -6.911 -0.411) 6.924 14.377 ( 1.295 -7.030 0.470) 7.164 14.396 ( -0.721 -5.839 -0.540) 5.908 17.433 ( 0.848 -3.164 0.019) 3.276 17.467 ( -1.779 -3.337 -0.545) 3.821 17.771 ( 2.957 4.237 0.901) 5.245 17.851 ( -1.385 4.063 -0.341) 4.306 19.567 ( 0.485 -3.334 -0.238) 3.377 19.599 ( -1.244 -1.041 -0.155) 1.629 19.637 ( 2.053 -3.283 -0.069) 3.873 19.677 ( -1.488 -2.875 0.480) 3.273 19.930 ( 1.054 -0.892 0.973) 1.689 19.997 ( -0.906 -2.528 -0.920) 2.839 20.011 ( 0.461 -3.224 0.519) 3.298 20.046 ( -0.104 -3.079 -0.688) 3.156 20.244 ( -1.297 -1.070 2.584) 3.083 20.333 ( 2.185 -1.494 -3.137) 4.105 21.086 ( -0.825 -1.354 2.538) 2.993 21.174 ( -0.222 -1.620 -1.439) 2.178 21.479 ( 1.042 0.246 1.275) 1.665 21.553 ( -0.114 -0.842 -0.647) 1.068 27.443 ( 0.397 0.279 0.232) 0.538 27.471 ( -0.177 0.467 -0.234) 0.551 27.527 ( 0.078 0.777 0.400) 0.878 27.546 ( 0.043 0.521 -0.450) 0.690 28.394 ( -0.212 1.329 0.423) 1.410 28.404 ( 0.142 1.343 -0.232) 1.371 34.736 ( 3.887 11.402 1.414) 12.129 34.816 ( 4.506 11.514 -0.087) 12.365 35.256 ( -6.458 16.056 2.824) 17.535 35.349 ( -6.500 8.969 -2.935) 11.458 37.741 ( -2.330 16.345 2.104) 16.644 37.878 ( -3.333 19.921 -3.027) 20.424 38.075 ( 0.374 3.202 2.768) 4.249 38.504 ( -8.016 -2.896 -4.284) 9.539 39.719 ( 1.028 6.212 3.417) 7.163 40.049 ( -0.861 3.136 -7.845) 8.492 41.913 ( 8.785 -20.970 2.985) 22.931 42.064 ( -1.257 -19.395 0.654) 19.447 ======================= Grid point 95 (43/90) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -4.198 10.163 -0.110) 10.996 1.459 ( 0.736 2.283 -1.786) 2.990 1.495 ( 2.288 2.151 1.523) 3.490 1.560 ( -1.309 -2.267 -0.395) 2.648 1.639 ( 0.342 11.118 3.660) 11.710 1.824 ( -9.258 5.057 -8.146) 13.328 1.935 ( -11.091 10.562 -10.399) 18.512 1.974 ( -0.948 5.414 -4.641) 7.193 2.200 ( 1.116 6.331 4.204) 7.681 2.328 ( 5.262 12.178 5.369) 14.311 2.459 ( 3.959 0.830 3.663) 5.457 2.636 ( -0.475 4.760 -1.083) 4.905 2.667 ( -8.313 -0.686 4.004) 9.252 2.887 ( -0.737 -4.687 -1.134) 4.878 2.910 ( -4.316 12.986 -1.344) 13.751 2.973 ( 4.540 17.632 1.636) 18.281 3.073 ( 0.867 0.246 2.428) 2.590 3.257 ( 2.954 -0.156 -3.792) 4.809 3.296 ( 5.856 -3.053 4.344) 7.905 3.327 ( 6.627 -5.064 -0.133) 8.342 3.533 ( -0.891 -2.316 0.836) 2.618 3.697 ( 5.297 4.636 -3.190) 7.728 3.875 ( -1.011 -3.139 -0.816) 3.398 3.998 ( -0.689 4.951 -2.039) 5.399 4.048 ( -6.169 0.987 3.951) 7.392 4.195 ( 1.198 -1.051 -3.549) 3.891 4.306 ( -0.390 -2.134 1.615) 2.704 4.567 ( -1.679 0.652 -3.842) 4.243 4.762 ( -4.117 4.367 2.429) 6.475 4.788 ( -1.102 -0.221 2.516) 2.756 4.935 ( 4.797 3.776 -0.396) 6.118 4.959 ( -1.185 -0.258 -2.086) 2.413 5.193 ( 3.134 -6.142 1.688) 7.099 5.249 ( -0.041 -1.453 -2.722) 3.086 5.554 ( -1.820 1.923 8.326) 8.737 5.762 ( -1.746 1.926 -2.229) 3.425 5.957 ( 4.834 -3.363 2.333) 6.334 6.032 ( -5.148 5.289 -4.872) 8.843 6.222 ( -1.959 1.103 0.160) 2.254 6.320 ( 3.719 -2.108 0.958) 4.381 6.442 ( 2.392 -0.641 3.439) 4.238 6.536 ( 3.088 -0.384 -0.403) 3.138 6.987 ( -6.440 -2.540 -0.684) 6.956 7.101 ( 4.016 -4.199 -0.325) 5.819 8.025 ( -7.055 4.056 -1.525) 8.280 8.201 ( 4.476 -0.811 -2.272) 5.085 8.656 ( -1.449 7.675 3.604) 8.602 8.817 ( 2.627 9.777 -1.889) 10.299 9.917 ( -0.472 0.556 1.628) 1.784 10.015 ( -0.155 0.167 -2.870) 2.879 10.141 ( -0.268 -0.216 1.777) 1.810 10.204 ( 1.588 -0.070 -0.457) 1.653 11.339 ( 2.886 1.893 4.223) 5.454 11.500 ( -3.150 4.280 -6.681) 8.537 11.847 ( 0.389 6.025 2.901) 6.699 11.967 ( 2.799 9.605 -1.249) 10.083 12.505 ( 0.043 2.539 2.677) 3.690 12.705 ( -0.154 2.886 -5.312) 6.048 13.002 ( -4.052 -0.296 4.863) 6.337 13.247 ( 0.976 -6.706 -2.198) 7.124 13.396 ( -3.385 -8.345 1.558) 9.140 13.659 ( 2.669 -5.726 -5.982) 8.700 14.084 ( -0.480 -3.380 3.472) 4.870 14.183 ( 0.961 -7.208 -0.180) 7.274 14.363 ( -1.116 -7.060 0.251) 7.152 14.421 ( 1.644 -6.275 -0.214) 6.490 17.430 ( -0.917 -3.014 0.010) 3.151 17.470 ( 1.872 -3.401 -0.536) 3.919 17.776 ( -2.716 4.023 0.941) 4.944 17.849 ( 1.398 4.131 -0.384) 4.378 19.571 ( -1.052 -2.055 -0.298) 2.328 19.584 ( 0.899 -2.411 -0.002) 2.574 19.644 ( -1.723 -3.256 -0.105) 3.685 19.685 ( 2.334 -2.974 0.416) 3.803 19.931 ( -1.213 -1.281 1.118) 2.088 19.986 ( 0.134 -1.488 -0.805) 1.697 20.017 ( -0.025 -4.002 0.355) 4.018 20.043 ( -0.087 -2.782 -0.780) 2.890 20.223 ( -0.726 -0.443 1.533) 1.753 20.372 ( 1.542 -2.531 -2.138) 3.654 21.077 ( -0.242 -2.255 2.335) 3.255 21.181 ( 0.988 -1.021 -1.191) 1.854 21.486 ( -0.593 0.189 1.565) 1.685 21.545 ( -0.349 -0.723 -0.924) 1.224 27.448 ( -0.077 0.170 0.443) 0.480 27.463 ( -0.368 0.666 -0.447) 0.882 27.525 ( -0.222 0.768 0.342) 0.869 27.547 ( 0.083 0.569 -0.390) 0.695 28.390 ( -0.210 1.396 0.263) 1.436 28.408 ( 0.296 1.255 -0.072) 1.291 34.750 ( -3.186 12.099 1.974) 12.667 34.804 ( -5.087 10.118 -0.677) 11.345 35.216 ( 2.657 14.680 1.435) 14.988 35.399 ( 11.609 11.323 -1.497) 16.285 37.724 ( 1.086 17.629 2.051) 17.781 37.869 ( 2.411 18.124 -2.785) 18.494 38.207 ( 11.219 1.674 7.389) 13.538 38.382 ( -3.107 -0.268 -9.162) 9.679 39.752 ( 1.620 6.086 4.807) 7.923 40.011 ( -1.809 2.961 -9.274) 9.902 41.861 ( -11.426 -18.413 2.972) 21.873 42.088 ( 0.567 -20.432 0.765) 20.454 ======================= Grid point 96 (44/90) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -7.791 13.614 1.232) 15.734 1.403 ( -4.375 3.112 -1.699) 5.632 1.415 ( -20.769 13.418 -13.960) 28.395 1.520 ( -2.064 1.981 -0.210) 2.869 1.578 ( 1.839 1.603 -0.920) 2.607 1.690 ( -0.337 1.924 3.822) 4.292 1.724 ( -4.754 7.594 -3.052) 9.464 1.931 ( -0.584 9.622 -1.768) 9.800 2.291 ( 1.993 4.503 5.552) 7.421 2.365 ( -0.973 11.055 3.775) 11.722 2.553 ( 2.735 3.139 1.252) 4.347 2.597 ( -0.732 4.505 -0.547) 4.596 2.643 ( 4.960 3.027 4.365) 7.268 2.769 ( -3.278 17.620 -1.981) 18.031 2.965 ( 4.295 3.860 -1.577) 5.986 3.026 ( -0.300 7.607 2.154) 7.912 3.151 ( 6.954 7.545 8.402) 13.262 3.328 ( 2.322 3.742 -2.954) 5.303 3.368 ( 0.700 1.763 -2.231) 2.929 3.441 ( 1.694 3.023 -1.572) 3.805 3.565 ( 2.139 -8.880 -2.508) 9.472 3.790 ( 2.855 -4.583 -2.483) 5.943 3.798 ( -5.776 4.684 -0.064) 7.437 3.916 ( 1.060 9.639 2.635) 10.049 4.050 ( 2.475 -1.055 -1.467) 3.065 4.208 ( -0.531 -0.032 1.083) 1.207 4.353 ( 4.447 -3.992 -1.925) 6.279 4.496 ( -4.121 -1.625 -3.731) 5.792 4.664 ( -4.351 2.024 1.850) 5.143 4.763 ( -1.926 -1.344 2.673) 3.558 4.876 ( -3.568 6.952 -1.436) 7.945 5.054 ( 2.475 -8.062 2.066) 8.683 5.193 ( -3.924 -0.094 -3.528) 5.277 5.281 ( 4.543 -3.119 -0.625) 5.547 5.517 ( -2.216 1.969 7.727) 8.276 5.692 ( -4.471 4.155 -2.368) 6.547 5.936 ( -2.727 3.030 -1.732) 4.429 6.063 ( 1.766 -0.595 2.432) 3.064 6.193 ( -0.058 -2.542 -1.024) 2.742 6.372 ( 2.901 -5.125 2.937) 6.581 6.542 ( 5.759 -0.832 0.835) 5.878 6.617 ( 2.146 -4.149 -0.112) 4.672 6.929 ( 3.408 -0.257 -2.059) 3.990 7.118 ( -1.986 -4.456 0.092) 4.879 7.917 ( -3.644 6.516 0.718) 7.500 8.251 ( 0.537 2.605 0.659) 2.740 8.607 ( -2.042 6.699 -2.958) 7.603 8.884 ( 2.613 4.297 0.489) 5.053 9.907 ( -0.520 0.636 2.345) 2.485 10.014 ( 0.249 -0.521 -2.181) 2.256 10.142 ( 0.483 -0.549 1.104) 1.324 10.239 ( 1.441 -0.195 -0.813) 1.666 11.379 ( -0.689 2.017 -0.144) 2.136 11.456 ( 0.903 2.119 -2.201) 3.186 11.862 ( 0.863 6.123 3.193) 6.959 12.064 ( 5.568 7.555 -1.109) 9.451 12.525 ( 1.871 2.275 1.044) 3.125 12.675 ( -2.281 2.318 -2.976) 4.408 12.905 ( -4.194 -1.158 1.399) 4.570 13.254 ( -0.562 -0.078 1.968) 2.048 13.332 ( -2.663 -8.031 -1.172) 8.542 13.669 ( -1.625 -8.846 -5.030) 10.305 14.092 ( 0.847 -2.889 2.287) 3.781 14.208 ( 1.270 -7.173 0.403) 7.296 14.352 ( 0.247 -5.528 -0.137) 5.535 14.444 ( 0.514 -6.137 -0.140) 6.160 17.421 ( 0.052 -2.236 0.145) 2.241 17.514 ( 2.210 -3.716 -0.858) 4.408 17.710 ( -3.185 3.569 0.517) 4.812 17.862 ( -0.483 3.004 -0.060) 3.043 19.556 ( -0.255 -1.533 -0.339) 1.591 19.604 ( 0.614 -2.180 0.352) 2.292 19.611 ( -1.075 -4.541 -0.509) 4.694 19.726 ( 1.290 -2.036 0.587) 2.481 19.897 ( -1.743 -1.500 0.605) 2.378 19.992 ( 0.256 0.001 -0.059) 0.263 20.008 ( -0.801 -4.281 -0.458) 4.379 20.044 ( 0.254 -2.396 -0.592) 2.481 20.224 ( 0.790 -0.363 0.177) 0.888 20.383 ( -0.504 -3.475 -0.191) 3.517 21.085 ( 0.940 -2.070 1.694) 2.835 21.209 ( 1.747 -1.027 -0.729) 2.154 21.463 ( -1.606 0.140 1.025) 1.910 21.531 ( -1.223 -1.043 -0.234) 1.625 27.440 ( -0.646 0.126 -0.253) 0.705 27.455 ( -0.546 0.587 0.243) 0.838 27.522 ( -0.050 0.525 0.432) 0.681 27.546 ( -0.088 0.812 -0.360) 0.893 28.388 ( 0.003 1.392 0.062) 1.394 28.415 ( 0.272 1.304 0.098) 1.336 34.640 ( -6.059 9.945 0.269) 11.648 34.685 ( -5.614 10.490 0.521) 11.909 35.329 ( 6.884 15.717 2.805) 17.386 35.757 ( 21.536 11.404 -2.483) 24.495 37.816 ( 7.740 22.443 1.692) 23.800 37.967 ( 8.262 16.229 0.892) 18.233 38.319 ( -0.773 3.888 -12.942) 13.535 38.557 ( 19.391 -1.451 7.087) 20.696 39.794 ( 2.048 5.232 4.904) 7.457 39.966 ( -1.167 2.806 -9.545) 10.018 41.533 ( -20.138 -17.671 0.990) 26.810 41.984 ( -11.694 -20.304 2.658) 23.581 ======================= Grid point 97 (45/90) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -10.429 15.193 1.983) 18.534 1.127 ( -2.936 23.088 2.093) 23.368 1.326 ( -2.802 4.998 -6.037) 8.324 1.467 ( -1.560 3.118 -1.655) 3.860 1.586 ( -1.780 4.632 3.234) 5.923 1.634 ( -2.668 2.251 0.727) 3.565 1.724 ( 1.644 5.939 -2.566) 6.675 1.967 ( 3.003 6.762 4.997) 8.928 2.237 ( -3.594 11.596 -3.115) 12.534 2.415 ( 2.411 16.452 2.238) 16.778 2.562 ( 0.004 6.684 0.111) 6.685 2.641 ( 3.580 5.254 3.075) 7.062 2.732 ( -0.497 21.021 -1.765) 21.101 2.776 ( 6.074 2.667 4.316) 7.914 2.999 ( -0.874 6.320 2.768) 6.955 3.099 ( 4.853 2.173 -0.962) 5.404 3.225 ( -1.435 4.620 0.787) 4.901 3.279 ( -9.330 4.901 -12.759) 16.549 3.368 ( 1.745 4.455 2.027) 5.196 3.474 ( 3.704 9.876 1.458) 10.648 3.535 ( -2.518 -0.338 3.229) 4.109 3.708 ( -0.430 2.050 -2.752) 3.459 3.860 ( 2.477 -3.322 -0.218) 4.149 3.993 ( 2.049 4.218 2.690) 5.406 4.109 ( 3.717 0.068 -3.541) 5.134 4.220 ( 1.902 2.025 1.831) 3.328 4.407 ( -2.108 -0.353 -4.656) 5.124 4.432 ( 0.721 -5.155 -1.309) 5.367 4.604 ( -1.176 1.926 3.124) 3.854 4.711 ( -2.932 -0.885 -0.170) 3.068 4.832 ( -0.134 1.605 0.428) 1.667 5.025 ( -5.013 -10.531 -4.675) 12.566 5.126 ( -0.846 4.000 2.389) 4.736 5.359 ( 2.502 -3.524 0.734) 4.384 5.472 ( -3.479 8.362 4.012) 9.906 5.609 ( -2.240 2.142 -2.439) 3.944 5.910 ( 0.153 -0.270 -0.079) 0.320 5.973 ( -7.777 -0.136 2.100) 8.057 6.263 ( 4.526 -7.620 0.665) 8.888 6.440 ( 2.114 -7.026 2.159) 7.648 6.588 ( 0.638 -0.843 2.184) 2.427 6.712 ( 6.869 -6.333 -0.681) 9.368 7.050 ( -3.032 -3.939 -0.310) 4.981 7.077 ( 6.825 -2.302 -3.848) 8.166 7.861 ( -1.794 6.641 3.498) 7.717 8.250 ( -1.067 6.499 -0.409) 6.598 8.573 ( 0.167 6.406 -1.514) 6.584 8.912 ( -0.054 -0.656 -0.733) 0.986 9.903 ( -0.248 0.442 3.400) 3.438 10.019 ( 0.360 -1.042 -1.275) 1.686 10.160 ( 0.923 -1.033 0.792) 1.596 10.256 ( 0.488 -1.167 -1.824) 2.220 11.353 ( -0.128 3.150 -0.853) 3.266 11.494 ( 1.489 -1.694 0.029) 2.256 11.888 ( 1.174 5.659 4.623) 7.400 12.133 ( 0.353 1.716 -1.446) 2.271 12.592 ( 3.210 3.080 -1.919) 4.845 12.616 ( -1.741 2.139 -0.684) 2.841 12.897 ( 4.540 1.543 0.204) 4.800 13.240 ( -0.903 2.267 1.897) 3.091 13.279 ( -2.141 -5.978 -1.306) 6.483 13.565 ( -7.915 -9.466 -4.610) 13.173 14.117 ( 1.159 -3.007 1.603) 3.599 14.225 ( 0.141 -7.394 0.199) 7.398 14.375 ( 1.648 -3.108 -0.479) 3.550 14.442 ( -0.610 -5.200 -0.136) 5.237 17.431 ( 0.854 -1.284 0.578) 1.647 17.541 ( -0.013 -3.112 -1.594) 3.497 17.673 ( 0.293 2.047 0.628) 2.161 17.825 ( -2.922 1.469 -0.182) 3.276 19.557 ( 0.276 -1.176 0.293) 1.243 19.601 ( 0.602 -3.907 -0.426) 3.976 19.617 ( 0.376 -3.567 0.150) 3.590 19.723 ( -1.792 -1.290 0.153) 2.213 19.882 ( 0.692 -0.162 0.200) 0.738 19.976 ( -1.657 -1.511 -0.514) 2.300 20.004 ( 0.395 -2.139 0.088) 2.177 20.051 ( 0.536 -1.421 -1.032) 1.836 20.252 ( 1.750 -1.135 -0.192) 2.094 20.344 ( -3.332 -3.280 1.387) 4.877 21.119 ( 2.015 -1.238 1.591) 2.851 21.245 ( 1.539 -1.829 -0.883) 2.548 21.431 ( -1.234 0.404 0.480) 1.385 21.486 ( -3.139 -1.108 -0.122) 3.331 27.425 ( -0.594 0.380 -0.208) 0.736 27.443 ( -0.542 0.189 0.205) 0.610 27.521 ( -0.135 0.593 0.626) 0.873 27.544 ( -0.032 0.781 -0.356) 0.859 28.391 ( 0.368 1.409 0.028) 1.457 28.418 ( 0.016 1.367 0.012) 1.367 34.540 ( -3.220 9.282 0.071) 9.825 34.582 ( -4.065 10.422 0.342) 11.192 35.474 ( 6.038 16.951 6.008) 18.971 36.169 ( 14.707 3.678 -10.440) 18.407 37.959 ( 4.588 23.064 -2.745) 23.675 38.220 ( 0.806 3.224 -2.130) 3.947 38.454 ( 32.065 19.978 -1.769) 37.820 38.968 ( 16.611 -4.275 5.523) 18.020 39.854 ( 3.518 1.660 1.583) 4.200 39.971 ( 3.384 3.290 -5.817) 7.491 41.062 ( -23.004 -13.171 2.079) 26.589 41.595 ( -25.190 -17.971 1.951) 31.004 ======================= Grid point 98 (46/90) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 1.387 13.153 3.713) 13.738 1.378 ( 0.667 2.179 -1.061) 2.514 1.503 ( -1.359 9.254 -1.635) 9.495 1.557 ( 2.753 4.980 -2.025) 6.040 1.630 ( 2.035 5.773 3.333) 6.969 1.788 ( 2.229 10.903 9.603) 14.699 1.869 ( -0.088 5.995 -5.351) 8.036 2.067 ( -0.146 1.538 2.114) 2.618 2.494 ( -0.792 12.339 -0.310) 12.369 2.640 ( -1.223 5.493 -4.667) 7.310 2.691 ( 1.532 6.877 6.349) 9.484 2.766 ( 2.090 4.408 -1.570) 5.125 2.902 ( -8.189 4.915 -0.990) 9.602 3.034 ( 1.959 7.674 1.934) 8.153 3.118 ( -9.974 8.079 -6.370) 14.329 3.146 ( 2.687 -0.887 -5.628) 6.299 3.250 ( 2.235 7.759 1.730) 8.258 3.414 ( 0.607 8.162 -4.902) 9.541 3.481 ( 1.499 4.315 7.048) 8.399 3.618 ( -1.456 11.520 5.749) 12.958 3.755 ( 1.476 1.633 -3.891) 4.470 3.825 ( 7.562 2.879 -4.969) 9.495 3.917 ( -2.953 5.607 4.337) 7.679 3.989 ( 0.108 4.744 0.825) 4.817 4.265 ( 2.077 2.416 -0.322) 3.202 4.322 ( -2.754 2.388 0.923) 3.760 4.345 ( -1.962 3.201 -1.589) 4.077 4.397 ( 1.273 1.466 -3.185) 3.731 4.529 ( 1.732 -11.142 5.259) 12.442 4.594 ( -3.222 -1.129 2.091) 4.003 4.753 ( -1.209 -8.669 -3.545) 9.443 4.797 ( 0.704 -3.795 -5.347) 6.594 5.184 ( 1.299 -0.266 4.480) 4.672 5.313 ( 1.110 -3.526 3.907) 5.379 5.512 ( -2.092 -1.030 0.709) 2.437 5.679 ( 3.841 1.786 -4.886) 6.466 5.835 ( -3.186 3.435 3.821) 6.045 6.014 ( -2.453 7.999 -3.952) 9.253 6.186 ( 3.452 -5.364 3.504) 7.278 6.320 ( -2.638 -0.679 -1.953) 3.352 6.576 ( -0.078 -0.530 2.990) 3.038 6.731 ( 7.529 -5.395 -3.159) 9.786 6.868 ( -8.067 -4.156 4.091) 9.954 7.070 ( 1.473 -4.403 -4.980) 6.809 8.057 ( 3.158 10.061 5.572) 11.926 8.318 ( -4.360 6.488 -5.181) 9.378 8.721 ( 3.814 2.611 3.051) 5.538 8.853 ( -2.115 -1.046 -2.507) 3.443 9.916 ( 0.013 0.505 2.785) 2.830 9.997 ( 0.603 -1.881 0.030) 1.976 10.140 ( -0.127 -1.533 -0.367) 1.581 10.197 ( -0.342 -3.760 -1.957) 4.253 11.409 ( -0.425 0.966 1.765) 2.057 11.495 ( 1.423 1.476 -1.984) 2.853 12.007 ( 0.744 3.743 3.266) 5.023 12.101 ( -0.950 -0.196 -0.719) 1.207 12.618 ( -1.011 3.219 1.408) 3.656 12.735 ( 1.627 3.240 -3.291) 4.896 12.950 ( 0.812 -5.867 1.584) 6.131 13.060 ( -1.806 -8.241 -3.090) 8.985 13.296 ( -0.272 2.603 2.120) 3.368 13.392 ( 0.992 -0.211 -1.597) 1.892 14.065 ( 0.120 -3.623 0.476) 3.656 14.087 ( -0.097 -5.970 0.010) 5.971 14.320 ( -1.086 -4.610 -0.115) 4.737 14.342 ( 0.616 -4.142 -0.462) 4.213 17.426 ( -0.187 -1.196 0.901) 1.509 17.489 ( 0.304 -1.790 -1.851) 2.593 17.714 ( -0.346 0.717 1.665) 1.846 17.782 ( 0.093 0.355 -1.210) 1.265 19.514 ( 0.188 -3.757 -0.423) 3.786 19.518 ( -0.140 -4.145 -0.401) 4.167 19.572 ( 0.697 -1.550 2.134) 2.728 19.669 ( -0.781 -1.621 -2.113) 2.775 19.887 ( -0.293 -1.700 0.582) 1.821 19.902 ( 0.386 -2.193 0.116) 2.230 20.014 ( 0.259 1.626 0.750) 1.809 20.060 ( 0.035 0.106 -1.299) 1.303 20.237 ( -0.917 -0.350 1.468) 1.766 20.277 ( 0.331 -0.977 -0.402) 1.107 21.146 ( 1.345 -0.497 1.126) 1.824 21.200 ( -1.218 -2.358 -1.024) 2.845 21.414 ( -0.875 -0.223 0.835) 1.230 21.451 ( 0.727 0.449 -0.640) 1.068 27.429 ( 0.337 0.264 0.134) 0.449 27.435 ( -0.345 0.037 -0.115) 0.366 27.531 ( -0.047 0.475 0.537) 0.719 27.554 ( 0.073 0.257 -0.425) 0.502 28.424 ( 0.127 1.140 0.293) 1.184 28.441 ( -0.151 1.045 -0.371) 1.119 34.714 ( 0.487 9.824 0.630) 9.857 34.740 ( -0.512 10.185 -0.422) 10.207 35.901 ( 1.985 14.645 6.526) 16.156 36.275 ( -3.481 1.814 -8.290) 9.173 38.284 ( -1.007 6.765 -1.264) 6.955 38.401 ( -0.663 13.361 -4.873) 14.237 39.012 ( -3.833 -5.218 3.606) 7.411 39.096 ( 6.373 -0.886 0.347) 6.444 39.922 ( -2.000 3.276 3.325) 5.078 40.109 ( 3.883 4.321 -4.854) 7.570 40.659 ( 0.450 -10.228 6.802) 12.291 40.903 ( -0.497 -13.405 -3.750) 13.929 ======================= Grid point 99 (47/90) ======================= q-point: ( 0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.649 9.554 1.519) 10.340 1.417 ( 2.601 0.818 -0.187) 2.733 1.474 ( 0.343 8.412 -2.652) 8.827 1.608 ( 1.221 3.062 -2.673) 4.244 1.663 ( -0.041 4.625 2.633) 5.322 1.814 ( -1.158 8.435 -5.519) 10.147 1.968 ( 9.215 6.608 9.068) 14.519 2.076 ( 2.538 3.587 -0.690) 4.447 2.442 ( -2.747 13.853 3.976) 14.672 2.520 ( -11.592 9.604 -3.780) 15.522 2.612 ( -7.445 4.963 3.879) 9.752 2.737 ( -2.421 2.679 -1.422) 3.880 2.838 ( 4.121 2.914 1.306) 5.213 2.889 ( -8.899 3.400 -4.075) 10.361 3.078 ( -1.059 2.308 2.424) 3.511 3.168 ( -1.192 2.043 -0.674) 2.460 3.282 ( 0.871 15.209 -2.562) 15.448 3.456 ( 0.541 1.310 3.347) 3.635 3.511 ( 1.462 9.909 -4.761) 11.090 3.592 ( -4.794 0.051 0.059) 4.795 3.701 ( -5.129 8.059 -0.344) 9.559 3.762 ( -4.496 -1.051 -0.219) 4.623 3.957 ( 3.316 0.898 -0.718) 3.510 4.065 ( 2.786 10.377 2.048) 10.938 4.204 ( -7.449 9.583 -1.314) 12.208 4.261 ( -2.246 1.031 0.988) 2.661 4.327 ( 0.805 -2.706 -1.867) 3.384 4.428 ( 2.091 -0.015 1.284) 2.454 4.571 ( 3.184 -2.599 -1.467) 4.364 4.588 ( 3.139 -5.164 5.815) 8.386 4.745 ( 0.066 -12.370 -2.102) 12.548 4.855 ( 4.368 -1.351 -4.520) 6.429 5.190 ( -1.169 -2.344 3.199) 4.135 5.338 ( -1.167 -3.516 -1.755) 4.099 5.488 ( 1.999 5.987 5.040) 8.077 5.748 ( 1.188 5.250 -3.663) 6.511 5.872 ( 6.080 -1.383 1.950) 6.534 6.009 ( 2.171 -0.834 -0.257) 2.340 6.182 ( -4.038 -3.764 -0.288) 5.528 6.310 ( 2.762 4.793 0.045) 5.532 6.600 ( 2.267 -0.865 0.721) 2.532 6.675 ( -9.566 -2.214 5.536) 11.272 6.836 ( 1.451 -4.168 -5.885) 7.356 7.079 ( 0.567 -1.785 -1.260) 2.257 8.107 ( -0.534 7.016 2.692) 7.533 8.284 ( 2.927 6.068 -0.326) 6.745 8.708 ( -3.522 1.604 -1.334) 4.093 8.904 ( 5.269 2.958 -0.446) 6.059 9.921 ( 0.206 0.647 2.379) 2.474 10.013 ( 0.939 -1.507 -0.147) 1.782 10.128 ( -0.990 -1.643 -0.111) 1.922 10.191 ( -0.124 -3.630 -1.781) 4.045 11.380 ( -2.020 1.017 0.423) 2.301 11.551 ( 3.350 1.772 -1.535) 4.089 12.006 ( -1.306 3.935 3.649) 5.523 12.102 ( 0.954 -1.270 -0.983) 1.868 12.631 ( 2.194 2.695 -0.883) 3.586 12.716 ( -3.249 3.808 -1.074) 5.120 12.894 ( -2.557 -1.586 0.378) 3.033 13.092 ( 2.789 -9.991 -0.429) 10.382 13.291 ( -0.111 -0.114 2.423) 2.429 13.449 ( 3.289 -0.908 -3.181) 4.665 14.060 ( -0.620 -4.544 0.574) 4.622 14.086 ( -0.069 -4.846 0.096) 4.847 14.284 ( -2.168 -4.084 -0.287) 4.633 14.331 ( -1.371 -4.986 -0.091) 5.172 17.401 ( -1.565 -1.503 0.433) 2.213 17.485 ( -1.133 -2.667 -1.230) 3.147 17.711 ( 1.386 2.297 0.841) 2.812 17.840 ( 3.768 0.142 -0.401) 3.792 19.504 ( -0.961 -4.063 -0.501) 4.206 19.515 ( 0.007 -3.860 -0.195) 3.865 19.592 ( 0.672 -1.540 1.969) 2.588 19.661 ( 0.079 -2.231 -1.808) 2.873 19.871 ( -0.552 -0.811 0.205) 1.002 19.924 ( 1.026 -2.712 0.235) 2.909 20.013 ( -0.492 1.182 0.616) 1.421 20.044 ( -1.131 -0.098 -1.006) 1.517 20.230 ( 0.346 0.476 0.515) 0.782 20.288 ( 0.284 -1.320 0.239) 1.371 21.142 ( -1.668 -0.207 1.174) 2.051 21.175 ( -0.942 -1.915 -0.977) 2.347 21.416 ( 1.002 -0.145 0.440) 1.103 21.482 ( 1.913 -0.476 -0.235) 1.986 27.430 ( 0.096 -0.054 -0.099) 0.148 27.447 ( 1.103 0.267 0.138) 1.143 27.530 ( -0.075 0.354 0.402) 0.540 27.557 ( 0.194 0.332 -0.326) 0.505 28.423 ( -0.199 1.111 0.121) 1.136 28.438 ( -0.107 1.167 -0.149) 1.181 34.741 ( 2.734 9.931 -0.024) 10.301 34.789 ( 4.585 10.046 0.332) 11.047 35.885 ( -4.412 13.681 7.575) 16.249 36.087 ( -12.620 6.242 -8.361) 16.375 38.228 ( -4.250 9.725 0.447) 10.622 38.349 ( -3.583 11.108 -4.709) 12.586 38.737 ( -19.187 1.591 -0.129) 19.253 38.958 ( -15.060 -2.289 2.737) 15.477 39.867 ( -2.023 5.822 0.583) 6.192 40.156 ( 0.077 5.684 -2.839) 6.354 40.811 ( 16.475 -15.915 2.280) 23.020 41.228 ( 20.600 -18.822 0.246) 27.905 ======================= Grid point 100 (48/90) ======================= q-point: ( 0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 3.545 4.075 -0.897) 5.475 1.444 ( 0.440 -0.810 0.044) 0.923 1.530 ( 0.611 3.284 -0.618) 3.397 1.600 ( 3.738 9.055 -4.278) 10.689 1.666 ( -0.173 3.499 3.116) 4.688 1.848 ( 5.531 7.811 -5.479) 11.028 2.047 ( 2.049 7.551 -4.789) 9.174 2.228 ( -0.060 -0.434 0.299) 0.531 2.281 ( -2.076 3.144 4.074) 5.549 2.433 ( -5.554 2.691 7.528) 9.735 2.462 ( -1.516 11.567 -0.348) 11.671 2.683 ( -3.493 2.068 -1.424) 4.302 2.806 ( 0.148 3.830 0.732) 3.902 2.906 ( 3.163 5.072 3.619) 6.988 3.053 ( -1.143 0.922 1.376) 2.013 3.128 ( -1.863 1.178 2.813) 3.574 3.252 ( -5.413 7.918 -2.630) 9.945 3.322 ( -12.721 -7.683 -1.041) 14.898 3.422 ( -5.947 11.336 -3.358) 13.234 3.475 ( -2.666 -2.509 0.203) 3.666 3.670 ( -3.419 10.445 -1.496) 11.092 3.735 ( 1.681 3.702 -3.898) 5.633 3.964 ( -1.025 2.301 2.482) 3.536 4.081 ( -3.415 10.748 3.527) 11.817 4.100 ( 1.115 10.436 -2.927) 10.896 4.212 ( -2.591 -4.263 0.773) 5.048 4.338 ( 0.304 -4.209 -1.666) 4.537 4.493 ( 3.814 -3.059 2.520) 5.501 4.648 ( 3.862 2.680 -5.060) 6.906 4.729 ( 8.269 -3.155 6.300) 10.864 4.734 ( -1.295 -12.942 -0.765) 13.029 4.932 ( 2.765 -2.203 -0.835) 3.632 5.167 ( -0.740 -0.018 -0.001) 0.740 5.258 ( -4.303 -1.387 -4.963) 6.714 5.585 ( 4.657 5.260 7.211) 10.068 5.742 ( -0.940 -0.434 -0.698) 1.249 5.970 ( 1.108 0.759 -0.316) 1.379 6.077 ( 3.681 -3.885 3.045) 6.158 6.123 ( -0.292 -3.923 -4.694) 6.124 6.362 ( 0.896 6.253 -1.269) 6.443 6.527 ( -3.891 5.703 8.427) 10.894 6.656 ( 1.494 1.839 -2.266) 3.278 6.826 ( 1.306 -0.442 -3.139) 3.428 7.091 ( -0.141 -0.985 -0.433) 1.085 8.088 ( -0.311 3.294 -0.355) 3.327 8.312 ( -2.946 -0.184 0.770) 3.050 8.699 ( 4.012 9.204 0.277) 10.044 8.990 ( 2.610 6.060 -0.997) 6.673 9.927 ( 0.133 0.582 1.734) 1.834 10.033 ( 0.828 -0.907 -1.591) 2.010 10.103 ( -1.096 -1.799 0.701) 2.221 10.186 ( -0.330 -2.941 -0.802) 3.066 11.348 ( -0.866 2.460 0.999) 2.792 11.607 ( 2.018 2.140 -3.117) 4.286 11.971 ( -2.165 3.518 3.587) 5.471 12.111 ( -0.366 0.202 -1.630) 1.683 12.634 ( -3.396 3.190 2.148) 5.130 12.697 ( 3.494 2.690 -3.710) 5.763 12.893 ( 2.155 -0.415 0.471) 2.244 13.127 ( 0.129 -9.552 -0.086) 9.553 13.297 ( 0.108 -3.095 4.557) 5.509 13.495 ( 1.761 -2.551 -5.352) 6.185 14.044 ( -0.920 -4.261 0.772) 4.427 14.077 ( -0.846 -4.189 0.255) 4.281 14.245 ( -1.266 -5.125 0.334) 5.289 14.298 ( -1.488 -5.813 -0.354) 6.011 17.377 ( -0.702 -2.064 0.248) 2.194 17.445 ( -2.180 -3.066 -0.761) 3.838 17.771 ( 3.726 3.162 0.692) 4.936 17.902 ( 1.851 0.944 -0.255) 2.094 19.487 ( -0.488 -3.922 -0.199) 3.957 19.517 ( 0.218 -4.266 -0.393) 4.290 19.600 ( 0.001 -1.272 1.062) 1.657 19.657 ( -0.423 -2.425 -0.586) 2.530 19.874 ( 0.811 -0.915 0.028) 1.223 19.939 ( 0.392 -2.855 0.119) 2.884 19.999 ( -0.713 0.357 0.266) 0.841 20.022 ( -0.813 -0.322 -0.584) 1.051 20.241 ( 0.072 -0.143 1.223) 1.234 20.292 ( 0.487 -0.838 -1.063) 1.439 21.105 ( -1.847 0.097 1.808) 2.586 21.153 ( -0.828 -1.588 -1.434) 2.294 21.446 ( 1.589 -0.332 0.506) 1.700 21.516 ( 1.152 -1.400 -0.237) 1.828 27.436 ( 0.454 0.042 0.024) 0.456 27.469 ( 0.801 0.176 0.064) 0.823 27.531 ( 0.211 0.268 0.236) 0.414 27.559 ( -0.030 0.384 -0.255) 0.462 28.420 ( -0.069 1.144 0.012) 1.146 28.435 ( -0.173 1.304 0.042) 1.316 34.833 ( 5.885 9.857 -0.254) 11.483 34.910 ( 6.648 10.086 0.766) 12.104 35.741 ( -9.649 12.065 4.291) 16.034 35.791 ( -13.831 10.868 -3.952) 18.029 38.124 ( -5.352 12.062 1.539) 13.285 38.241 ( -6.953 4.835 -2.605) 8.860 38.393 ( -10.698 13.770 -1.526) 17.504 38.646 ( -13.295 -3.045 0.927) 13.671 39.848 ( 0.015 7.552 1.013) 7.620 40.155 ( 0.193 6.118 -4.016) 7.321 41.194 ( 17.662 -19.293 1.553) 26.203 41.557 ( 9.984 -21.980 1.041) 24.164 ======================= Grid point 101 (49/90) ======================= q-point: ( 0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 2.318 1.059 -1.110) 2.779 1.458 ( 1.430 1.960 -1.043) 2.641 1.518 ( 0.049 2.222 1.970) 2.970 1.616 ( -2.578 2.140 1.174) 3.551 1.768 ( 6.589 7.425 -0.177) 9.928 1.981 ( 3.102 5.337 -5.844) 8.500 2.108 ( 4.538 5.812 -2.021) 7.646 2.114 ( -0.706 1.133 -1.657) 2.128 2.255 ( -5.477 1.665 1.384) 5.890 2.389 ( 2.286 -0.683 -2.275) 3.297 2.509 ( 2.565 9.282 6.744) 11.757 2.631 ( -1.928 -5.257 0.637) 5.636 2.772 ( -2.242 -0.205 -0.679) 2.352 2.889 ( -9.460 -3.988 -0.658) 10.287 2.958 ( -7.695 -2.559 -2.052) 8.364 3.121 ( -4.550 0.113 2.159) 5.038 3.163 ( 7.482 11.487 1.888) 13.838 3.177 ( -0.519 -3.759 5.915) 7.027 3.330 ( -1.198 15.960 -3.710) 16.430 3.471 ( 1.306 0.556 0.694) 1.580 3.559 ( -4.840 9.732 -0.752) 10.895 3.744 ( -0.040 3.731 -5.754) 6.857 3.980 ( 0.382 11.004 2.402) 11.270 4.044 ( 0.804 2.509 2.617) 3.713 4.134 ( 1.539 6.132 -1.261) 6.447 4.165 ( -1.611 -1.860 -1.191) 2.734 4.322 ( -1.876 -3.826 0.830) 4.341 4.555 ( 0.614 -4.939 -3.672) 6.185 4.663 ( -3.580 -7.716 0.106) 8.507 4.727 ( 3.031 -6.459 -0.711) 7.170 4.900 ( 7.247 -2.374 4.496) 8.853 4.962 ( 0.394 -0.635 2.958) 3.051 5.139 ( -3.078 -0.484 -0.448) 3.148 5.212 ( 1.052 1.724 -7.913) 8.167 5.646 ( -0.526 2.741 8.859) 9.289 5.731 ( 0.771 -3.195 -0.250) 3.296 5.946 ( -1.720 1.953 -1.255) 2.889 6.099 ( -1.803 -6.456 -5.850) 8.897 6.168 ( 3.963 -0.995 3.999) 5.718 6.358 ( -0.090 5.679 -3.587) 6.718 6.516 ( 0.138 11.862 7.017) 13.782 6.633 ( -1.206 5.792 -0.620) 5.948 6.936 ( 7.135 0.789 -0.697) 7.212 7.051 ( -3.827 -0.868 -0.719) 3.989 8.105 ( 1.851 0.558 -0.591) 2.022 8.203 ( -5.653 -0.272 -1.583) 5.877 8.812 ( 4.518 10.721 3.397) 12.120 9.010 ( -0.103 8.955 -2.254) 9.235 9.929 ( -0.103 0.377 1.306) 1.363 10.028 ( -0.869 -0.564 -3.133) 3.300 10.108 ( 1.228 -1.875 2.133) 3.094 10.173 ( -0.672 -2.175 -0.444) 2.320 11.351 ( 0.896 3.042 2.928) 4.317 11.620 ( -0.446 2.728 -5.299) 5.977 11.938 ( -1.054 3.121 3.759) 4.998 12.095 ( -0.392 3.383 -2.678) 4.332 12.580 ( -2.144 2.928 3.686) 5.173 12.755 ( 2.156 2.782 -5.155) 6.242 12.971 ( 4.583 -3.140 0.854) 5.620 13.089 ( -3.432 -7.892 -0.362) 8.614 13.296 ( -0.831 -4.469 5.440) 7.089 13.523 ( 1.597 -4.048 -5.774) 7.230 14.029 ( -0.530 -3.252 1.206) 3.509 14.059 ( -0.619 -4.238 0.164) 4.286 14.231 ( -0.512 -6.900 1.166) 7.016 14.279 ( -0.146 -5.854 -0.985) 5.938 17.373 ( 0.211 -2.705 0.259) 2.726 17.406 ( -1.261 -2.705 -0.606) 3.045 17.843 ( 2.550 2.843 1.003) 3.949 17.914 ( -0.377 2.253 -0.547) 2.349 19.484 ( 0.194 -4.114 0.223) 4.124 19.520 ( 0.019 -4.790 -0.784) 4.854 19.599 ( -0.109 -1.264 1.201) 1.746 19.645 ( -0.395 -1.486 -0.600) 1.651 19.897 ( 1.027 -1.869 0.339) 2.159 19.937 ( -0.541 -2.687 -0.241) 2.751 19.989 ( -0.247 0.541 0.282) 0.658 20.010 ( -0.287 -1.120 -0.599) 1.302 20.230 ( -0.978 -0.462 2.152) 2.408 20.312 ( 1.461 -0.762 -2.511) 3.003 21.070 ( -1.688 -0.314 2.554) 3.078 21.147 ( 0.431 -1.045 -1.936) 2.242 21.475 ( 0.969 -0.550 0.797) 1.370 21.527 ( -0.004 -1.573 -0.522) 1.658 27.447 ( 0.488 0.199 0.338) 0.626 27.475 ( -0.117 0.142 -0.198) 0.270 27.540 ( 0.457 0.381 0.159) 0.616 27.555 ( -0.282 0.295 -0.272) 0.490 28.420 ( 0.014 1.195 0.236) 1.218 28.432 ( -0.075 1.339 -0.144) 1.348 34.958 ( 5.080 10.167 0.359) 11.371 35.037 ( 3.880 9.891 0.162) 10.626 35.543 ( -5.960 9.904 -1.543) 11.662 35.567 ( -7.566 14.088 1.985) 16.113 38.036 ( -2.792 12.338 2.443) 12.884 38.125 ( -1.736 4.607 0.340) 4.935 38.278 ( -2.162 16.148 -1.534) 16.364 38.442 ( -6.256 -3.092 -2.528) 7.422 39.865 ( 1.254 8.184 2.647) 8.693 40.142 ( -1.066 6.250 -5.861) 8.635 41.489 ( 9.513 -20.540 2.529) 22.777 41.646 ( -0.476 -21.449 0.189) 21.455 ======================= Grid point 102 (50/90) ======================= q-point: (-0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.257 1.892 -1.429) 2.684 1.510 ( 2.583 0.227 -2.650) 3.708 1.541 ( 1.361 1.648 3.404) 4.019 1.546 ( -3.503 4.090 2.079) 5.772 1.815 ( -2.147 6.711 1.501) 7.204 1.913 ( -5.873 4.605 -6.088) 9.632 2.116 ( -1.252 4.350 -2.178) 5.024 2.134 ( -7.989 9.005 -6.641) 13.749 2.216 ( 2.637 -1.324 3.992) 4.964 2.467 ( 3.563 -0.684 -0.180) 3.633 2.506 ( -2.369 1.155 1.012) 2.823 2.588 ( 4.216 0.787 5.286) 6.807 2.760 ( -0.162 5.987 -2.249) 6.397 2.832 ( 2.108 2.763 2.207) 4.117 2.941 ( 8.093 -10.312 0.326) 13.112 3.011 ( -1.510 -2.098 -2.231) 3.414 3.177 ( 0.966 -2.385 4.853) 5.493 3.314 ( 4.043 8.780 2.256) 9.926 3.398 ( 2.189 9.593 -1.618) 9.971 3.481 ( 3.841 12.627 -4.119) 13.826 3.543 ( 1.528 5.149 4.627) 7.089 3.733 ( -0.732 1.308 -7.178) 7.332 3.984 ( 2.104 10.466 2.313) 10.923 4.074 ( -2.522 2.594 1.383) 3.873 4.145 ( 2.424 4.923 -0.741) 5.537 4.166 ( 1.279 2.918 -0.248) 3.196 4.275 ( -2.334 -2.395 1.955) 3.874 4.482 ( -5.089 -8.388 -6.425) 11.728 4.604 ( -2.795 -10.174 1.916) 10.723 4.797 ( 3.123 -7.043 1.019) 7.772 4.946 ( -2.648 2.187 3.949) 5.233 5.030 ( 0.177 -0.345 2.700) 2.728 5.078 ( 2.306 -2.159 -1.918) 3.696 5.224 ( 0.066 -0.452 -8.320) 8.333 5.601 ( -3.522 2.168 7.413) 8.489 5.769 ( 1.879 -2.094 1.467) 3.173 5.916 ( -0.868 -0.537 0.354) 1.080 6.055 ( -1.552 -4.122 -4.904) 6.591 6.236 ( 2.583 0.815 1.241) 2.979 6.351 ( -0.523 4.337 -2.021) 4.813 6.505 ( -2.268 7.257 4.495) 8.832 6.659 ( 3.387 10.832 0.927) 11.387 6.940 ( -5.865 -1.086 -0.717) 6.008 7.051 ( 3.295 0.022 -0.827) 3.397 8.089 ( -3.097 2.280 -0.675) 3.905 8.186 ( 3.984 -0.613 -1.387) 4.263 8.833 ( -2.839 9.497 3.466) 10.501 9.010 ( 0.367 9.228 -2.438) 9.551 9.926 ( -0.329 0.333 1.394) 1.470 10.007 ( -0.736 -0.957 -2.444) 2.726 10.123 ( -0.174 -1.347 1.285) 1.870 10.179 ( 1.405 -2.319 -0.375) 2.738 11.383 ( 1.552 2.374 4.356) 5.198 11.579 ( -2.590 3.437 -6.636) 7.910 11.938 ( 0.500 2.988 3.442) 4.586 12.105 ( 1.698 3.910 -2.486) 4.934 12.555 ( -0.479 2.504 3.065) 3.986 12.768 ( -0.496 2.759 -4.522) 5.320 12.972 ( -4.603 -2.637 0.877) 5.377 13.090 ( 3.524 -8.756 -0.408) 9.448 13.278 ( -1.070 -2.370 4.759) 5.423 13.540 ( 0.303 -5.759 -5.024) 7.648 14.028 ( 0.344 -2.140 1.088) 2.425 14.060 ( 0.669 -4.852 0.237) 4.904 14.225 ( 0.097 -6.439 0.912) 6.504 14.289 ( 1.005 -6.637 -0.712) 6.750 17.373 ( -0.225 -2.640 0.254) 2.662 17.407 ( 1.345 -2.769 -0.602) 3.137 17.845 ( -2.449 2.784 1.036) 3.850 17.913 ( 0.408 2.280 -0.580) 2.387 19.491 ( 0.283 -4.211 0.434) 4.243 19.514 ( -0.357 -4.575 -1.000) 4.697 19.592 ( -0.717 -1.358 1.029) 1.849 19.654 ( 1.271 -1.489 -0.424) 2.003 19.898 ( -1.094 -1.582 0.393) 1.962 19.931 ( 0.251 -2.937 -0.284) 2.962 19.988 ( 0.052 0.184 0.233) 0.302 20.011 ( 0.466 -0.711 -0.562) 1.019 20.216 ( -0.442 -0.246 1.488) 1.572 20.335 ( 0.736 -1.329 -1.866) 2.406 21.048 ( -0.481 -0.735 1.864) 2.061 21.164 ( 1.278 -0.609 -1.226) 1.873 21.481 ( -0.517 -0.575 1.026) 1.285 21.520 ( -0.457 -1.580 -0.750) 1.807 27.451 ( -0.233 0.238 0.480) 0.584 27.470 ( -0.164 0.187 -0.342) 0.423 27.538 ( -0.526 0.405 0.134) 0.677 27.556 ( 0.306 0.253 -0.243) 0.466 28.419 ( -0.145 1.382 0.197) 1.404 28.433 ( 0.232 1.158 -0.105) 1.185 34.982 ( -4.756 10.252 0.928) 11.339 35.004 ( -4.524 9.571 -0.435) 10.595 35.511 ( 2.962 13.797 -0.157) 14.112 35.617 ( 11.778 10.035 0.634) 15.486 38.035 ( 2.812 12.575 2.743) 13.174 38.180 ( 5.614 8.028 -0.374) 9.804 38.285 ( 3.603 9.964 0.781) 10.625 38.380 ( 0.721 0.087 -4.454) 4.513 39.897 ( 1.305 8.166 4.112) 9.235 40.099 ( -2.311 5.866 -7.300) 9.646 41.477 ( -10.180 -19.003 2.462) 21.698 41.653 ( 0.335 -22.099 0.248) 22.103 ======================= Grid point 103 (51/90) ======================= q-point: (-0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -4.211 5.896 -1.648) 7.430 1.449 ( -4.189 2.003 1.906) 5.019 1.534 ( -0.451 1.474 -1.538) 2.178 1.581 ( -0.373 3.619 -1.940) 4.123 1.740 ( -7.042 7.869 -4.350) 11.420 1.758 ( -1.928 8.670 0.297) 8.887 1.936 ( -7.183 11.989 -2.119) 14.136 2.106 ( -0.684 6.494 -0.159) 6.532 2.291 ( 5.430 0.054 2.267) 5.885 2.445 ( 1.346 0.176 4.701) 4.893 2.615 ( 5.161 1.217 -0.175) 5.306 2.725 ( 5.873 7.788 2.104) 9.979 2.733 ( -0.964 5.433 -3.429) 6.497 2.948 ( 10.086 6.588 7.610) 14.249 3.045 ( 1.994 0.291 0.192) 2.024 3.114 ( 3.856 -2.080 2.708) 5.151 3.270 ( 7.110 -6.287 -3.408) 10.085 3.366 ( 1.358 -0.041 -1.694) 2.172 3.465 ( 3.760 7.600 2.757) 8.917 3.491 ( 1.724 9.742 -4.213) 10.753 3.625 ( 3.432 10.209 -2.068) 10.968 3.712 ( -0.238 1.650 -5.227) 5.487 3.966 ( -6.738 7.264 2.999) 10.352 4.079 ( 5.618 8.639 0.112) 10.305 4.179 ( 0.776 11.382 1.855) 11.558 4.206 ( 0.263 0.497 4.367) 4.404 4.274 ( 4.098 -4.022 -4.008) 7.002 4.394 ( -2.496 -7.317 -3.291) 8.402 4.542 ( -2.998 -11.860 2.046) 12.403 4.825 ( -2.668 -3.060 1.876) 4.472 4.849 ( -4.857 1.851 1.883) 5.528 4.954 ( -4.191 -3.779 -1.562) 5.855 5.180 ( 1.272 -0.732 -4.368) 4.608 5.213 ( 2.673 -4.578 -1.325) 5.465 5.541 ( -2.481 1.597 5.338) 6.099 5.759 ( -3.216 1.471 0.949) 3.662 5.950 ( 4.205 -3.992 3.068) 6.560 6.021 ( -1.716 -2.384 -4.308) 5.214 6.259 ( -3.473 7.400 -1.809) 8.372 6.344 ( 1.804 0.906 0.851) 2.190 6.464 ( -0.263 -1.117 4.340) 4.489 6.675 ( -3.463 7.566 0.142) 8.322 6.904 ( 4.017 -1.611 -2.399) 4.949 7.067 ( -1.466 -0.466 -0.514) 1.622 8.044 ( -1.388 5.816 -0.221) 5.983 8.277 ( 4.413 -0.086 0.579) 4.452 8.752 ( -4.235 7.995 0.460) 9.059 8.990 ( -2.403 5.649 -1.108) 6.238 9.920 ( -0.404 0.423 1.933) 2.020 9.993 ( -0.403 -1.550 -1.335) 2.085 10.124 ( 0.388 -1.014 0.033) 1.086 10.205 ( 0.760 -3.034 -0.582) 3.182 11.412 ( 0.523 1.516 3.514) 3.863 11.518 ( -2.136 3.400 -5.511) 6.819 11.959 ( 1.022 3.458 2.840) 4.590 12.140 ( 1.086 0.904 -0.929) 1.691 12.577 ( 2.771 2.979 0.395) 4.088 12.730 ( -2.548 2.614 -2.049) 4.186 12.891 ( -2.521 -0.244 0.489) 2.579 13.129 ( 0.111 -10.757 -0.052) 10.757 13.279 ( 0.676 1.581 3.616) 4.004 13.514 ( -2.485 -6.208 -4.350) 7.978 14.042 ( 0.784 -2.140 0.473) 2.328 14.078 ( 0.787 -5.503 0.435) 5.576 14.248 ( 2.154 -4.825 0.277) 5.291 14.311 ( 1.058 -6.841 -0.279) 6.928 17.378 ( 0.768 -1.948 0.267) 2.111 17.444 ( 2.102 -3.147 -0.775) 3.863 17.778 ( -3.635 3.064 0.697) 4.805 17.901 ( -1.814 0.959 -0.268) 2.069 19.496 ( 0.277 -3.721 -0.162) 3.735 19.509 ( -0.000 -4.433 -0.483) 4.459 19.578 ( -0.685 -1.024 0.826) 1.483 19.683 ( 1.167 -2.547 -0.302) 2.818 19.874 ( -0.892 -0.863 0.036) 1.241 19.932 ( -0.327 -2.970 0.115) 2.990 19.993 ( 0.430 0.225 0.184) 0.519 20.025 ( 0.909 0.076 -0.498) 1.039 20.217 ( 0.476 -0.268 0.638) 0.840 20.333 ( -0.861 -1.757 -0.503) 2.021 21.058 ( 1.358 -0.750 0.841) 1.765 21.192 ( 1.317 -0.742 -0.449) 1.577 21.461 ( -1.347 -0.289 0.765) 1.575 21.503 ( -1.308 -1.593 -0.490) 2.118 27.441 ( -0.671 0.122 0.011) 0.683 27.464 ( -0.577 0.284 0.078) 0.648 27.530 ( -0.172 0.272 0.234) 0.398 27.559 ( -0.024 0.347 -0.253) 0.430 28.417 ( -0.004 1.422 0.017) 1.423 28.439 ( 0.261 1.045 0.037) 1.078 34.838 ( -6.662 9.444 -0.307) 11.562 34.901 ( -5.626 10.206 0.810) 11.682 35.641 ( 8.049 14.482 0.798) 16.588 35.932 ( 16.572 6.639 -0.402) 17.857 38.160 ( 7.972 8.801 3.102) 12.274 38.277 ( 4.569 16.973 -5.135) 18.312 38.421 ( 8.383 5.321 -3.357) 10.481 38.529 ( 14.613 -0.693 3.610) 15.068 39.920 ( 0.342 7.146 3.996) 8.195 40.048 ( -1.230 5.414 -6.900) 8.856 41.181 ( -17.765 -16.817 1.591) 24.514 41.554 ( -10.510 -21.636 0.975) 24.073 ======================= Grid point 104 (52/90) ======================= q-point: (-0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -5.243 12.150 1.537) 13.322 1.394 ( -1.714 2.023 -0.614) 2.721 1.519 ( -1.430 13.493 -2.616) 13.819 1.525 ( -0.124 3.611 -2.294) 4.280 1.653 ( -3.161 4.224 -0.078) 5.276 1.760 ( 0.770 9.837 5.667) 11.379 1.868 ( -0.079 7.969 -3.501) 8.705 2.078 ( -1.426 3.908 3.442) 5.399 2.435 ( 5.907 7.972 -0.040) 9.922 2.548 ( 8.344 3.747 4.153) 10.045 2.672 ( 0.204 2.321 -2.148) 3.169 2.731 ( 1.197 4.740 -1.347) 5.071 2.848 ( 5.429 7.531 2.357) 9.579 3.075 ( 2.848 1.217 -4.281) 5.284 3.131 ( -2.053 5.543 0.162) 5.913 3.165 ( 5.334 10.082 3.542) 11.944 3.302 ( -0.089 -1.403 -0.727) 1.583 3.373 ( -4.714 10.351 -1.034) 11.420 3.481 ( 3.826 -4.007 -1.998) 5.889 3.625 ( 3.147 14.974 2.242) 15.464 3.681 ( 1.268 5.245 -5.573) 7.757 3.732 ( 4.391 -1.297 -1.396) 4.786 3.854 ( -0.990 8.186 2.708) 8.679 4.098 ( -4.890 3.571 3.797) 7.147 4.210 ( 3.311 7.359 -2.030) 8.321 4.279 ( 5.586 5.925 0.835) 8.186 4.356 ( 0.803 -1.799 -0.250) 1.986 4.376 ( 1.952 -2.234 -3.661) 4.712 4.501 ( -0.685 -12.735 3.680) 13.274 4.693 ( -6.494 2.412 2.949) 7.529 4.797 ( -2.355 -4.655 -1.890) 5.548 4.857 ( -4.785 -6.902 -4.384) 9.474 5.166 ( -0.183 0.391 -0.158) 0.460 5.284 ( 2.108 -4.611 3.144) 5.965 5.522 ( 0.111 -1.465 2.683) 3.059 5.682 ( -3.171 1.954 -1.105) 3.885 5.941 ( -5.301 0.922 -2.168) 5.800 6.066 ( 3.847 1.134 4.800) 6.254 6.130 ( -4.834 2.835 -3.347) 6.527 6.357 ( -0.796 1.663 0.297) 1.868 6.561 ( 7.649 -6.995 1.059) 10.419 6.601 ( -2.398 2.255 1.466) 3.604 6.998 ( -3.899 -2.597 2.704) 5.409 7.011 ( 3.884 -2.991 -6.381) 8.047 8.024 ( -0.304 8.635 1.935) 8.855 8.356 ( 2.140 3.703 0.733) 4.339 8.682 ( -1.614 4.835 -1.552) 5.328 8.921 ( -3.615 1.311 -0.483) 3.875 9.915 ( -0.243 0.439 2.583) 2.632 9.989 ( 0.131 -1.904 -0.437) 1.958 10.135 ( 0.538 -1.247 -0.389) 1.413 10.207 ( -0.282 -3.548 -1.398) 3.824 11.410 ( -0.413 2.144 1.134) 2.461 11.491 ( -0.293 1.446 -2.166) 2.620 11.983 ( 1.055 3.845 2.709) 4.820 12.132 ( -1.533 -0.741 -0.069) 1.704 12.650 ( 0.836 2.859 -0.706) 3.061 12.681 ( 0.827 3.588 -1.299) 3.905 12.888 ( 2.366 -1.941 0.351) 3.080 13.113 ( -1.541 -9.721 -0.413) 9.851 13.294 ( 0.183 2.928 2.482) 3.843 13.436 ( -3.965 -3.742 -3.134) 6.289 14.057 ( 0.574 -2.837 0.250) 2.905 14.087 ( 0.093 -6.077 0.323) 6.087 14.304 ( 2.804 -3.941 -0.372) 4.851 14.327 ( 0.354 -5.841 -0.006) 5.851 17.404 ( 1.550 -1.349 0.491) 2.112 17.481 ( 1.187 -2.773 -1.262) 3.270 17.718 ( -1.612 2.297 0.824) 2.924 17.840 ( -3.704 0.095 -0.417) 3.729 19.505 ( 0.598 -3.661 -0.607) 3.759 19.513 ( 0.396 -3.968 -0.159) 3.991 19.567 ( -0.345 -1.299 1.336) 1.895 19.689 ( -0.561 -2.462 -1.134) 2.768 19.872 ( 0.674 -0.941 0.251) 1.184 19.918 ( -0.981 -2.673 0.225) 2.856 20.004 ( 0.573 1.133 0.422) 1.338 20.046 ( 1.095 0.281 -0.777) 1.372 20.234 ( 0.905 -0.694 0.418) 1.214 20.301 ( -2.010 -1.390 0.286) 2.461 21.101 ( 2.464 -0.643 0.457) 2.587 21.211 ( 0.348 -1.587 -0.253) 1.644 21.435 ( -1.098 -0.044 0.789) 1.353 21.467 ( -1.833 -0.770 -0.583) 2.072 27.429 ( -0.364 0.135 -0.082) 0.397 27.448 ( -0.834 0.223 0.118) 0.872 27.530 ( 0.073 0.331 0.431) 0.549 27.556 ( -0.159 0.338 -0.353) 0.514 28.419 ( 0.230 1.318 0.072) 1.340 28.442 ( 0.051 0.988 -0.101) 0.994 34.735 ( -2.994 9.620 0.019) 10.076 34.795 ( -4.263 10.160 0.287) 11.021 35.802 ( 6.632 14.971 3.535) 16.751 36.219 ( 9.516 1.774 -4.263) 10.577 38.272 ( 2.444 4.267 -1.456) 5.128 38.374 ( 3.817 15.514 -3.281) 16.310 38.734 ( 21.752 8.998 -2.180) 23.640 38.867 ( 14.767 -4.952 5.126) 16.397 39.920 ( -0.080 4.814 1.765) 5.128 40.057 ( 2.536 5.294 -3.772) 6.978 40.801 ( -16.488 -12.577 2.156) 20.849 41.226 ( -20.031 -18.200 0.224) 27.066 ======================= Grid point 105 (53/90) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.789 1.898 1.578) 2.591 1.411 ( -0.460 2.030 0.157) 2.087 1.635 ( 0.177 5.164 0.547) 5.196 1.672 ( 0.001 4.568 -1.757) 4.894 1.719 ( 0.801 3.171 1.201) 3.484 1.959 ( -2.156 2.361 -7.154) 7.837 2.021 ( 1.810 10.532 4.119) 11.453 2.108 ( 0.982 2.707 1.246) 3.138 2.612 ( 2.687 2.093 5.693) 6.634 2.665 ( 0.759 -0.255 2.360) 2.492 2.791 ( 0.311 0.535 -2.097) 2.187 2.966 ( -1.230 12.564 -0.144) 12.625 3.045 ( -2.833 8.425 -0.326) 8.895 3.120 ( -2.271 1.682 -4.152) 5.022 3.141 ( 1.726 2.053 -1.335) 2.996 3.279 ( -9.238 4.097 -1.334) 10.194 3.328 ( 6.578 4.423 0.668) 7.955 3.515 ( -4.644 2.792 -2.943) 6.166 3.611 ( 1.230 4.852 1.900) 5.354 3.654 ( -1.257 -1.434 1.772) 2.604 3.735 ( 8.439 -4.040 -0.946) 9.404 3.817 ( -2.078 -2.383 -0.470) 3.196 4.073 ( -0.990 5.001 -0.099) 5.099 4.123 ( 0.464 3.072 -1.494) 3.447 4.234 ( 5.785 -5.751 4.308) 9.225 4.250 ( -1.917 -1.985 2.647) 3.824 4.385 ( 0.240 3.195 -0.819) 3.307 4.446 ( 0.951 -0.218 -2.655) 2.828 4.502 ( 1.471 2.334 2.168) 3.509 4.570 ( -5.855 -1.060 2.587) 6.488 4.649 ( -3.362 2.128 -5.349) 6.666 4.770 ( 2.693 1.980 -3.959) 5.181 5.096 ( -1.143 -7.529 2.694) 8.078 5.195 ( 1.551 -7.449 1.437) 7.744 5.501 ( 1.417 0.505 4.350) 4.603 5.699 ( 2.074 1.645 -2.731) 3.803 5.847 ( 0.086 -3.933 2.579) 4.703 5.989 ( -3.648 -4.259 -2.566) 6.167 6.286 ( -1.316 10.397 2.834) 10.856 6.473 ( 1.438 9.864 -5.176) 11.232 6.598 ( -0.855 3.157 1.820) 3.743 6.662 ( 6.384 -1.094 -1.645) 6.682 6.792 ( -7.228 -3.222 4.314) 9.013 6.971 ( 1.811 -5.539 -3.441) 6.768 8.234 ( 3.046 6.948 3.849) 8.507 8.424 ( -4.255 3.896 -3.839) 6.930 8.757 ( 3.565 0.966 1.635) 4.039 8.828 ( -2.141 -1.407 -1.306) 2.876 9.909 ( 0.384 -1.246 2.535) 2.851 9.962 ( 0.446 -1.074 0.738) 1.377 10.112 ( -0.433 -1.483 -1.429) 2.105 10.125 ( -0.241 -2.595 -1.621) 3.069 11.428 ( -1.016 0.910 2.025) 2.441 11.534 ( 1.629 1.809 -2.330) 3.370 12.063 ( 0.284 2.074 1.468) 2.557 12.104 ( -0.554 0.171 -0.303) 0.654 12.684 ( -0.754 3.198 1.554) 3.635 12.788 ( 1.469 1.969 -2.654) 3.617 12.840 ( 0.232 -4.632 1.274) 4.809 12.916 ( -1.124 -5.699 -1.858) 6.099 13.344 ( -1.989 1.815 1.366) 3.020 13.391 ( 2.340 0.138 -0.458) 2.389 13.983 ( -0.555 -3.688 0.559) 3.771 14.012 ( 0.340 -2.020 -0.563) 2.125 14.229 ( -0.077 -3.839 0.725) 3.907 14.271 ( -0.025 -2.840 -0.942) 2.992 17.404 ( -0.234 -0.811 0.797) 1.161 17.459 ( 0.333 -1.102 -1.482) 1.876 17.728 ( -0.408 0.566 1.355) 1.524 17.785 ( 0.183 0.021 -1.018) 1.035 19.450 ( -0.184 -2.383 -0.119) 2.393 19.454 ( 0.143 -2.099 -0.348) 2.133 19.555 ( 0.392 -0.321 1.417) 1.505 19.628 ( -0.419 -2.060 -1.653) 2.674 19.861 ( 0.387 -1.004 0.256) 1.107 19.866 ( -0.343 -1.125 0.246) 1.202 20.048 ( 0.311 1.347 0.415) 1.444 20.059 ( -0.275 -0.136 0.044) 0.310 20.235 ( 0.152 0.014 0.526) 0.548 20.261 ( -0.181 -0.648 -0.519) 0.850 21.137 ( 1.573 -0.333 0.452) 1.670 21.163 ( -1.371 -1.285 -0.548) 1.958 21.409 ( -0.717 -0.199 1.081) 1.312 21.456 ( 0.591 0.087 -0.787) 0.989 27.433 ( 0.339 0.131 0.044) 0.366 27.436 ( -0.371 0.033 -0.088) 0.383 27.538 ( -0.037 0.223 0.386) 0.447 27.557 ( 0.056 0.006 -0.371) 0.376 28.443 ( -0.018 0.725 0.202) 0.752 28.455 ( -0.012 0.419 -0.280) 0.504 34.878 ( 0.696 6.077 0.639) 6.150 34.911 ( -0.659 6.414 -0.685) 6.484 36.132 ( 1.307 8.120 3.851) 9.081 36.303 ( -1.470 0.909 -2.697) 3.203 38.379 ( -0.287 3.394 -0.072) 3.407 38.561 ( -2.158 2.350 -9.498) 10.020 38.957 ( -0.663 0.417 7.242) 7.284 39.089 ( 2.615 -0.346 -0.298) 2.654 40.032 ( -1.513 7.184 3.361) 8.074 40.214 ( 5.129 5.663 -4.813) 9.030 40.461 ( -2.463 -8.766 5.346) 10.559 40.647 ( -0.322 -11.972 -2.921) 12.327 ======================= Grid point 106 (54/90) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.815 1.370 0.560) 1.690 1.413 ( 0.712 0.948 0.240) 1.210 1.621 ( -1.548 3.973 -1.907) 4.671 1.705 ( 2.123 4.941 -1.122) 5.493 1.737 ( 1.399 3.781 4.422) 5.984 1.923 ( 0.363 2.133 -6.863) 7.196 2.110 ( 5.434 7.130 1.850) 9.153 2.148 ( 2.856 3.930 0.909) 4.943 2.578 ( -5.201 1.884 4.704) 7.262 2.703 ( -16.630 6.152 0.361) 17.735 2.762 ( 3.580 3.463 3.893) 6.322 2.790 ( -3.022 5.554 -1.656) 6.537 2.904 ( -5.254 7.863 -6.071) 11.238 2.991 ( -6.944 5.479 -0.653) 8.869 3.099 ( -2.925 1.115 0.143) 3.134 3.241 ( 0.290 3.635 6.333) 7.308 3.300 ( -14.037 -12.162 -4.240) 19.051 3.441 ( -3.935 -2.531 0.954) 4.775 3.588 ( 2.483 8.081 -0.959) 8.508 3.677 ( -1.118 4.560 -0.145) 4.697 3.744 ( -1.904 -0.977 -1.541) 2.638 3.837 ( 0.657 -0.803 -0.510) 1.156 4.059 ( 0.781 8.852 -2.379) 9.200 4.148 ( 0.011 -3.300 -0.191) 3.306 4.204 ( -3.178 -3.215 0.236) 4.527 4.316 ( -0.560 -0.462 -1.693) 1.842 4.355 ( 1.633 2.441 5.441) 6.183 4.450 ( -4.075 1.309 2.706) 5.064 4.505 ( -0.179 -6.243 1.230) 6.365 4.536 ( 4.460 4.021 1.391) 6.164 4.670 ( 5.135 5.774 -6.105) 9.848 4.829 ( 2.795 -0.316 -3.293) 4.331 5.083 ( -0.259 -7.474 3.305) 8.177 5.242 ( 2.239 -4.743 -0.786) 5.304 5.557 ( 2.982 1.459 5.364) 6.308 5.757 ( 2.650 -2.784 -5.315) 6.559 5.849 ( -3.782 -2.402 -1.168) 4.630 5.923 ( 3.107 -4.337 3.827) 6.566 6.216 ( -5.015 5.489 1.658) 7.618 6.552 ( 1.175 12.790 -2.088) 13.012 6.586 ( 2.017 -0.077 -3.811) 4.313 6.656 ( -0.697 0.598 5.753) 5.826 6.821 ( 4.868 2.607 -2.049) 5.891 7.024 ( 3.453 -4.165 -0.814) 5.471 8.230 ( -4.626 5.090 0.158) 6.880 8.351 ( -1.259 0.600 1.193) 1.835 8.767 ( 1.828 3.860 -1.058) 4.400 8.947 ( 8.421 0.963 -0.086) 8.477 9.925 ( 0.702 -0.303 2.113) 2.247 9.977 ( 0.949 -1.718 0.955) 2.183 10.096 ( -0.987 -1.682 -1.640) 2.548 10.119 ( -0.194 -2.738 -1.324) 3.048 11.406 ( -1.074 1.319 1.403) 2.205 11.586 ( 3.147 1.425 -2.183) 4.087 12.057 ( -1.413 1.399 2.219) 2.980 12.094 ( 0.007 0.175 -0.885) 0.902 12.689 ( 0.775 2.806 -0.420) 2.942 12.766 ( -2.482 1.118 -1.299) 3.016 12.853 ( 1.024 -3.169 1.112) 3.511 12.923 ( 1.563 -5.105 -0.008) 5.339 13.298 ( -2.044 0.371 -0.078) 2.078 13.444 ( 1.966 0.213 -0.008) 1.978 13.973 ( -0.381 -3.636 0.377) 3.675 14.019 ( 0.246 -2.010 -0.348) 2.055 14.210 ( -1.716 -3.048 0.273) 3.509 14.242 ( -2.420 -3.551 -0.409) 4.316 17.378 ( -1.863 -0.777 0.542) 2.090 17.440 ( -1.887 -1.691 -1.083) 2.756 17.752 ( 2.690 1.689 0.894) 3.300 17.835 ( 3.699 -0.529 -0.575) 3.781 19.439 ( -0.731 -2.257 -0.180) 2.380 19.454 ( -0.122 -2.110 -0.160) 2.120 19.567 ( 0.507 -0.748 1.451) 1.709 19.619 ( -0.228 -1.796 -1.646) 2.447 19.855 ( -0.134 -0.684 -0.315) 0.765 19.881 ( 0.904 -1.404 0.635) 1.787 20.035 ( -1.537 0.418 0.234) 1.609 20.047 ( -0.658 0.644 0.191) 0.940 20.238 ( 0.237 0.326 0.494) 0.637 20.266 ( 0.404 -0.897 -0.513) 1.110 21.132 ( -1.175 -0.687 -1.187) 1.806 21.151 ( -0.635 -0.530 1.220) 1.474 21.412 ( 0.849 -0.241 0.516) 1.022 21.473 ( 1.005 -0.354 -0.380) 1.131 27.432 ( 0.148 0.194 -0.142) 0.282 27.449 ( 1.058 -0.009 0.123) 1.066 27.536 ( -0.134 0.274 0.284) 0.417 27.559 ( 0.145 -0.123 -0.282) 0.341 28.441 ( -0.163 0.640 0.082) 0.665 28.455 ( 0.018 0.581 -0.126) 0.594 34.914 ( 2.795 6.785 -0.138) 7.340 34.949 ( 4.198 5.452 0.143) 6.883 36.097 ( -5.199 7.390 3.878) 9.832 36.184 ( -9.021 3.311 -2.917) 10.042 38.341 ( -3.145 2.432 1.081) 4.120 38.463 ( -6.139 1.760 -6.837) 9.356 38.821 ( -10.615 5.439 3.022) 12.304 38.940 ( -14.346 -0.135 0.725) 14.365 40.000 ( -0.832 7.027 0.619) 7.103 40.288 ( -0.121 6.569 -1.330) 6.703 40.547 ( 14.318 -9.485 0.941) 17.200 40.881 ( 15.462 -15.703 0.327) 22.040 ======================= Grid point 107 (55/90) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.509 0.229 -0.103) 0.568 1.438 ( 1.663 1.100 -0.042) 1.995 1.576 ( -2.229 1.646 -0.067) 2.772 1.700 ( -1.440 2.339 -0.436) 2.781 1.815 ( 4.296 8.054 2.076) 9.361 1.975 ( 4.918 3.870 -5.128) 8.090 2.181 ( 1.865 6.216 -1.518) 6.665 2.233 ( 2.170 1.402 0.320) 2.603 2.323 ( -13.409 2.828 -0.149) 13.705 2.459 ( -8.159 0.763 4.779) 9.487 2.687 ( -7.242 2.527 -5.806) 9.620 2.745 ( -0.224 10.428 1.087) 10.487 2.833 ( -9.546 -7.848 -2.857) 12.684 2.941 ( -7.260 -1.035 1.136) 7.421 2.995 ( -1.076 -6.474 4.424) 7.915 3.088 ( 1.289 3.478 3.023) 4.785 3.209 ( -4.165 3.179 7.833) 9.423 3.395 ( 1.520 -1.692 -0.233) 2.286 3.477 ( -8.465 3.336 -4.731) 10.255 3.612 ( -4.418 4.109 -4.035) 7.258 3.764 ( 0.301 5.707 1.550) 5.921 3.873 ( 1.976 3.349 -1.747) 4.263 4.041 ( -1.378 5.824 -2.626) 6.536 4.117 ( -4.204 -3.259 -1.132) 5.439 4.151 ( 0.635 -4.948 -0.815) 5.055 4.284 ( -1.955 2.543 -0.305) 3.222 4.350 ( -1.862 7.294 2.697) 7.996 4.429 ( 0.948 -2.102 1.277) 2.636 4.524 ( 1.146 -5.052 4.297) 6.731 4.667 ( 6.257 -2.320 4.262) 7.919 4.729 ( 0.453 3.078 -8.993) 9.516 4.872 ( 1.378 -3.327 -1.228) 3.804 5.098 ( 1.465 -4.919 2.554) 5.733 5.275 ( 1.407 3.070 -2.505) 4.205 5.620 ( 2.274 -0.111 4.743) 5.261 5.701 ( -4.200 -3.612 0.758) 5.591 5.867 ( 3.278 -7.602 -4.963) 9.652 6.017 ( 1.484 -3.443 -3.119) 4.877 6.138 ( 0.284 4.415 8.568) 9.642 6.510 ( -1.939 4.250 -3.230) 5.679 6.603 ( 0.066 2.051 2.553) 3.275 6.773 ( 6.704 8.832 -1.894) 11.249 6.898 ( 3.830 6.881 -0.108) 7.876 7.089 ( 2.116 -0.104 -0.337) 2.145 8.142 ( -2.926 1.945 -0.440) 3.541 8.287 ( -4.708 -1.615 0.194) 4.981 8.873 ( 6.903 7.254 1.643) 10.147 9.097 ( 5.653 3.981 -1.437) 7.062 9.937 ( 0.229 0.554 1.117) 1.268 10.003 ( 1.270 -2.038 0.383) 2.432 10.070 ( -1.128 -1.137 -0.963) 1.869 10.117 ( 0.081 -3.428 -0.635) 3.487 11.395 ( -0.136 1.968 1.998) 2.808 11.642 ( 2.259 1.248 -3.503) 4.351 12.013 ( -2.598 0.891 2.939) 4.023 12.105 ( 0.883 -0.215 -1.861) 2.071 12.662 ( -2.691 -0.042 0.409) 2.722 12.764 ( 1.593 3.063 -1.966) 3.973 12.882 ( 1.889 -1.221 0.372) 2.280 12.949 ( 0.561 -6.059 1.263) 6.215 13.271 ( -0.534 -0.450 0.748) 1.023 13.461 ( -0.173 -0.935 -1.017) 1.392 13.970 ( 0.050 -2.950 0.381) 2.975 14.016 ( -0.484 -1.918 -0.273) 1.996 14.161 ( -2.732 -3.033 0.127) 4.084 14.195 ( -1.568 -4.123 -0.056) 4.411 17.344 ( -1.248 -1.115 0.472) 1.739 17.395 ( -2.039 -1.830 -0.809) 2.857 17.824 ( 3.621 2.020 0.843) 4.231 17.907 ( 2.835 -0.258 -0.509) 2.892 19.424 ( -0.565 -2.157 -0.031) 2.230 19.451 ( -0.120 -2.212 -0.201) 2.225 19.575 ( 0.084 -0.943 1.146) 1.486 19.615 ( -0.041 -1.695 -1.096) 2.019 19.858 ( 0.427 -0.714 -0.619) 1.037 19.898 ( 0.544 -1.234 0.541) 1.454 20.005 ( -1.164 0.055 0.405) 1.234 20.027 ( -1.118 0.618 -0.046) 1.279 20.238 ( -0.515 -0.102 1.520) 1.608 20.278 ( 0.974 -0.543 -1.693) 2.027 21.109 ( -1.472 0.266 0.980) 1.788 21.129 ( -0.744 -0.895 -0.812) 1.419 21.438 ( 1.402 -0.403 0.317) 1.493 21.491 ( 0.654 -0.944 -0.248) 1.175 27.440 ( 0.566 0.293 -0.015) 0.638 27.471 ( 0.870 0.040 0.061) 0.873 27.535 ( 0.105 0.229 0.181) 0.310 27.560 ( -0.073 -0.275 -0.219) 0.358 28.439 ( -0.042 0.680 0.045) 0.683 28.455 ( -0.053 0.685 -0.026) 0.688 35.002 ( 5.651 6.566 -0.709) 8.692 35.066 ( 6.608 5.162 0.785) 8.421 35.921 ( -11.437 6.602 -0.979) 13.242 35.974 ( -9.951 6.218 1.652) 11.849 38.261 ( -4.507 3.138 0.409) 5.507 38.326 ( -5.539 2.895 0.239) 6.255 38.569 ( -13.526 2.094 -0.676) 13.703 38.670 ( -8.738 6.203 -1.022) 10.764 40.001 ( 0.794 7.202 0.558) 7.267 40.296 ( 0.778 7.130 -2.648) 7.645 40.876 ( 15.212 -11.241 0.900) 18.936 41.151 ( 9.265 -18.024 1.134) 20.298 ======================= Grid point 108 (56/90) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 1.289 -0.445 0.130) 1.370 1.479 ( 2.210 0.865 -1.347) 2.729 1.546 ( -0.606 0.556 2.537) 2.667 1.663 ( -1.987 1.819 -0.066) 2.695 1.899 ( 3.136 5.217 0.984) 6.166 2.071 ( -0.671 3.787 -4.640) 6.027 2.104 ( 0.782 0.777 0.317) 1.148 2.183 ( -2.312 0.808 0.839) 2.589 2.278 ( -0.315 -0.003 -1.803) 1.831 2.345 ( -1.979 -3.020 -0.938) 3.731 2.529 ( -7.818 -4.038 1.061) 8.863 2.634 ( -4.609 -6.876 -3.914) 9.157 2.775 ( 0.896 8.601 3.160) 9.207 2.786 ( -1.835 2.485 1.703) 3.527 2.995 ( -2.361 -2.792 0.946) 3.777 3.119 ( -2.211 -0.790 4.860) 5.398 3.149 ( -2.576 2.691 0.215) 3.731 3.361 ( -1.257 7.286 -4.507) 8.659 3.491 ( 5.339 3.767 5.555) 8.577 3.540 ( 0.766 2.451 -0.513) 2.619 3.741 ( -2.159 9.308 -0.116) 9.556 3.871 ( -1.315 6.225 -3.399) 7.213 4.033 ( 1.281 0.421 -1.122) 1.754 4.051 ( -1.647 -2.478 -1.124) 3.181 4.164 ( 0.190 -7.406 -0.454) 7.422 4.277 ( 1.397 4.586 -0.629) 4.835 4.313 ( -1.638 8.536 1.631) 8.844 4.424 ( -2.536 -5.210 -1.359) 5.952 4.540 ( -0.921 -2.081 2.221) 3.180 4.680 ( -2.592 -1.662 -5.535) 6.334 4.753 ( 2.244 -7.978 4.998) 9.678 4.923 ( 3.635 -4.404 -3.242) 6.566 5.137 ( 1.645 1.081 1.867) 2.713 5.291 ( -0.340 4.562 -1.226) 4.736 5.642 ( -1.553 -2.562 6.606) 7.254 5.661 ( 1.183 -2.644 0.841) 3.017 5.912 ( 0.777 -4.121 -4.234) 5.960 5.966 ( -2.138 -5.285 -4.312) 7.148 6.232 ( 3.823 5.124 6.008) 8.773 6.474 ( -1.271 4.475 -3.712) 5.952 6.613 ( 0.753 -0.141 4.997) 5.056 6.847 ( 1.098 10.713 -3.503) 11.324 7.001 ( 4.626 4.856 1.345) 6.841 7.098 ( -0.877 4.699 -0.632) 4.822 8.110 ( -0.385 -0.118 0.418) 0.580 8.197 ( -3.107 -0.168 -1.501) 3.454 8.994 ( 3.559 6.976 3.446) 8.556 9.172 ( 1.849 6.510 -2.567) 7.238 9.938 ( -0.129 0.715 0.682) 0.996 10.009 ( -0.856 -1.325 -2.114) 2.637 10.069 ( 1.103 -1.544 1.493) 2.414 10.118 ( 0.022 -3.071 -0.262) 3.082 11.404 ( 0.730 2.125 3.334) 4.021 11.662 ( -0.016 1.413 -5.153) 5.344 11.973 ( -1.272 0.633 3.379) 3.666 12.121 ( 0.871 -0.060 -3.008) 3.132 12.617 ( -1.584 0.644 2.797) 3.278 12.782 ( 0.407 -0.519 -3.845) 3.901 12.920 ( 0.241 -1.968 0.933) 2.191 12.955 ( 1.088 -3.591 -0.578) 3.796 13.271 ( 0.179 0.851 3.501) 3.607 13.447 ( -0.652 -3.331 -2.361) 4.135 13.976 ( 0.552 -1.914 0.262) 2.009 14.003 ( -0.582 -1.599 -0.136) 1.707 14.117 ( -1.225 -4.153 1.160) 4.482 14.175 ( -0.470 -4.061 -0.826) 4.171 17.329 ( -0.339 -1.602 0.502) 1.713 17.363 ( -0.817 -1.523 -0.732) 1.877 17.884 ( 1.765 1.347 1.104) 2.480 17.943 ( 0.771 0.800 -0.759) 1.346 19.419 ( 0.006 -2.266 0.258) 2.281 19.447 ( -0.200 -2.376 -0.476) 2.432 19.575 ( -0.111 -0.883 1.059) 1.383 19.614 ( 0.134 -1.422 -0.745) 1.611 19.870 ( 0.715 -0.861 -0.309) 1.162 19.900 ( -0.460 -1.104 -0.172) 1.208 19.991 ( -0.388 -0.650 0.567) 0.945 20.008 ( -0.461 0.885 -0.139) 1.007 20.224 ( -0.842 -0.173 1.774) 1.971 20.299 ( 1.164 -0.538 -2.226) 2.569 21.069 ( -2.051 0.144 2.418) 3.173 21.132 ( 0.958 -0.438 -2.092) 2.343 21.462 ( 0.808 -0.573 0.466) 1.095 21.497 ( -0.033 -1.175 -0.347) 1.226 27.452 ( 0.557 0.327 0.304) 0.714 27.480 ( 0.002 0.344 -0.199) 0.397 27.541 ( 0.345 -0.135 0.143) 0.397 27.555 ( -0.271 -0.219 -0.229) 0.417 28.440 ( 0.102 0.710 0.182) 0.740 28.453 ( -0.111 0.748 -0.129) 0.767 35.123 ( 5.055 6.000 -0.207) 7.848 35.191 ( 3.620 5.255 -0.019) 6.381 35.714 ( -5.767 6.564 0.079) 8.738 35.790 ( -6.961 7.755 0.748) 10.448 38.190 ( -1.103 4.279 0.708) 4.475 38.244 ( -3.343 6.110 4.120) 8.092 38.365 ( -4.308 -3.354 -1.402) 5.637 38.550 ( -3.261 9.172 -3.940) 10.501 40.028 ( 1.556 7.487 2.177) 7.950 40.291 ( -1.140 7.942 -5.080) 9.497 41.132 ( 8.628 -14.005 1.706) 16.537 41.249 ( 0.285 -17.158 0.854) 17.182 ======================= Grid point 109 (57/90) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.003 -0.053 0.096) 0.110 1.501 ( -0.633 -0.315 -1.906) 2.032 1.566 ( 2.323 0.487 3.694) 4.391 1.627 ( -0.941 3.178 -0.533) 3.357 1.919 ( -1.475 3.805 2.047) 4.566 2.020 ( -2.444 5.923 -4.815) 8.015 2.131 ( 1.157 -0.431 -0.016) 1.235 2.187 ( 0.814 -1.241 0.208) 1.498 2.262 ( -1.696 2.562 -1.632) 3.479 2.404 ( 9.259 -7.228 -3.254) 12.188 2.452 ( 0.690 0.329 2.996) 3.092 2.603 ( 2.429 -4.199 -2.160) 5.310 2.819 ( 4.611 1.310 1.962) 5.180 2.868 ( 3.878 4.036 0.597) 5.629 2.947 ( 0.347 0.823 2.849) 2.985 3.041 ( -2.379 9.312 -1.453) 9.720 3.128 ( 0.601 -2.105 5.718) 6.123 3.337 ( -0.255 -0.820 -4.108) 4.197 3.559 ( 2.688 2.214 5.329) 6.366 3.666 ( 1.764 7.370 2.111) 7.867 3.699 ( 2.441 7.478 -1.122) 7.946 3.832 ( -1.544 6.788 -6.344) 9.418 4.042 ( 0.787 -0.343 -2.262) 2.420 4.094 ( 3.294 -3.494 0.087) 4.803 4.167 ( 0.792 -6.108 2.713) 6.730 4.286 ( -1.814 6.833 -0.809) 7.116 4.315 ( 0.543 0.016 -3.622) 3.663 4.343 ( -1.111 4.011 0.262) 4.170 4.464 ( -5.580 -1.678 2.559) 6.363 4.669 ( 1.142 -5.949 -0.216) 6.061 4.817 ( 3.097 -9.915 0.587) 10.404 4.967 ( 0.488 -3.701 -4.452) 5.810 5.156 ( -0.421 4.909 3.693) 6.157 5.244 ( -3.573 1.556 -1.334) 4.119 5.623 ( -1.668 0.500 4.512) 4.836 5.702 ( 3.128 -3.659 2.924) 5.633 5.884 ( -1.801 -2.532 -4.787) 5.707 5.949 ( -0.490 -5.240 -3.289) 6.206 6.266 ( -0.287 1.665 5.931) 6.167 6.448 ( -0.963 4.599 -4.008) 6.176 6.635 ( -0.294 4.121 4.728) 6.279 6.850 ( 0.639 5.078 -3.847) 6.402 6.997 ( -4.867 7.604 1.507) 9.153 7.104 ( 0.905 4.093 -0.652) 4.243 8.116 ( 0.725 0.546 0.705) 1.149 8.179 ( 1.689 -0.135 -1.761) 2.443 9.006 ( -2.663 7.011 3.646) 8.339 9.169 ( -1.983 6.129 -2.794) 7.021 9.933 ( -0.437 0.616 0.815) 1.111 9.982 ( -1.232 -1.385 -1.521) 2.398 10.094 ( 0.797 -1.403 0.848) 1.823 10.122 ( 0.543 -2.959 -0.344) 3.028 11.426 ( 0.782 1.738 4.325) 4.726 11.632 ( -2.120 1.786 -6.090) 6.691 11.972 ( 0.763 0.699 3.102) 3.270 12.134 ( 0.636 -0.309 -2.831) 2.918 12.607 ( 0.402 2.678 2.791) 3.889 12.776 ( -0.631 -2.299 -3.800) 4.486 12.900 ( -1.021 -5.079 0.792) 5.241 12.975 ( -0.294 -0.537 -0.380) 0.720 13.286 ( 0.993 2.275 3.831) 4.565 13.435 ( -0.294 -4.747 -2.722) 5.480 13.990 ( 0.521 -2.021 0.194) 2.096 13.998 ( 0.276 -1.122 -0.115) 1.161 14.119 ( 1.298 -3.830 1.348) 4.263 14.171 ( 0.233 -4.684 -0.988) 4.793 17.329 ( 0.338 -1.589 0.512) 1.703 17.363 ( 0.871 -1.544 -0.741) 1.921 17.886 ( -1.703 1.326 1.142) 2.442 17.943 ( -0.737 0.801 -0.798) 1.349 19.424 ( 0.413 -2.288 0.462) 2.370 19.442 ( -0.190 -2.412 -0.682) 2.514 19.572 ( -0.340 -0.646 0.890) 1.151 19.620 ( 0.537 -1.569 -0.571) 1.754 19.876 ( -0.807 -0.731 -0.413) 1.165 19.890 ( 0.282 -1.218 -0.072) 1.252 19.986 ( 0.076 -0.413 0.484) 0.641 20.013 ( 0.736 0.642 -0.056) 0.979 20.213 ( -0.330 -0.074 1.277) 1.321 20.314 ( 0.360 -0.755 -1.738) 1.929 21.042 ( -0.621 -0.028 1.440) 1.568 21.156 ( 1.365 -0.211 -1.106) 1.770 21.469 ( -0.308 -0.577 0.708) 0.963 21.491 ( -0.534 -1.208 -0.589) 1.445 27.458 ( -0.173 0.420 0.484) 0.663 27.475 ( -0.338 0.251 -0.380) 0.567 27.540 ( -0.394 -0.097 0.129) 0.425 27.556 ( 0.281 -0.232 -0.214) 0.422 28.442 ( 0.014 0.839 0.233) 0.871 28.452 ( 0.031 0.620 -0.181) 0.646 35.144 ( -5.984 5.843 -0.483) 8.377 35.161 ( -3.029 5.485 0.266) 6.271 35.736 ( 4.254 8.228 -0.199) 9.265 35.779 ( 8.930 5.755 1.017) 10.672 38.207 ( 0.507 4.218 1.396) 4.472 38.246 ( 6.352 2.407 2.550) 7.256 38.386 ( 5.360 0.709 1.227) 5.544 38.519 ( 0.616 9.214 -5.705) 10.855 40.061 ( 1.025 7.511 3.810) 8.484 40.237 ( -3.205 7.342 -6.606) 10.383 41.142 ( -8.237 -13.346 1.601) 15.765 41.249 ( -0.036 -17.143 0.870) 17.165 ======================= Grid point 110 (58/90) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -1.489 0.508 0.011) 1.574 1.465 ( -2.058 -0.109 0.023) 2.061 1.619 ( 0.944 4.879 -1.462) 5.180 1.639 ( 2.779 2.276 1.378) 3.847 1.832 ( -6.265 4.324 1.252) 7.715 1.974 ( -0.625 9.296 -4.987) 10.568 2.127 ( -4.093 4.958 -0.283) 6.435 2.178 ( -2.263 2.109 -0.507) 3.134 2.342 ( 12.825 5.437 -0.041) 13.930 2.461 ( 2.628 1.494 3.268) 4.452 2.633 ( 6.990 0.650 -1.588) 7.198 2.789 ( 1.030 -3.677 0.582) 3.863 2.813 ( 11.093 -3.303 -3.953) 12.230 2.946 ( 6.028 0.830 0.405) 6.099 3.034 ( 4.199 0.241 2.235) 4.762 3.152 ( 2.925 -5.055 1.868) 6.132 3.168 ( 9.773 9.757 9.957) 17.025 3.377 ( 3.522 1.116 -1.433) 3.963 3.540 ( -2.579 1.123 -5.281) 5.984 3.673 ( 0.275 6.935 2.657) 7.432 3.770 ( 1.411 1.919 -2.331) 3.333 3.832 ( 2.435 7.464 -4.200) 8.904 4.038 ( -2.158 1.254 -1.521) 2.923 4.129 ( 1.166 -8.999 -1.375) 9.177 4.203 ( -0.017 -0.676 1.979) 2.091 4.235 ( 0.955 -0.197 -3.613) 3.742 4.306 ( -2.189 0.792 2.128) 3.154 4.383 ( -0.201 3.405 5.418) 6.402 4.416 ( 5.118 7.923 0.768) 9.464 4.682 ( -0.506 -7.106 0.722) 7.160 4.835 ( -1.990 -7.051 -3.311) 8.040 4.929 ( -4.127 0.580 -2.830) 5.038 5.137 ( -0.643 0.242 3.641) 3.705 5.177 ( -2.123 -0.396 -1.880) 2.864 5.571 ( -3.416 0.706 3.058) 4.638 5.758 ( -0.824 -0.681 -1.328) 1.704 5.861 ( 1.674 -4.506 0.205) 4.811 5.932 ( -0.402 -4.652 -1.659) 4.956 6.279 ( 1.246 -3.925 7.507) 8.562 6.427 ( -0.091 6.438 -4.179) 7.676 6.592 ( -3.378 9.870 -0.150) 10.433 6.832 ( -5.840 2.136 -0.992) 6.297 6.910 ( 0.107 6.203 0.216) 6.207 7.078 ( -3.539 0.617 -0.535) 3.632 8.141 ( 1.575 3.934 -0.550) 4.273 8.254 ( 5.430 -1.938 0.344) 5.776 8.914 ( -5.937 7.506 2.051) 9.788 9.080 ( -6.128 2.828 -1.880) 7.006 9.920 ( -0.850 -0.317 1.146) 1.462 9.962 ( -0.572 -1.248 -0.160) 1.382 10.106 ( 0.580 -0.693 -0.587) 1.077 10.132 ( 0.288 -3.605 -0.496) 3.651 11.441 ( 0.157 1.262 4.118) 4.310 11.574 ( -2.478 2.024 -5.529) 6.388 12.004 ( 1.839 1.268 2.186) 3.126 12.135 ( -0.382 -0.770 -1.184) 1.463 12.643 ( 2.804 3.572 0.278) 4.549 12.753 ( -1.021 -0.357 -1.648) 1.971 12.889 ( -0.683 -2.719 0.094) 2.805 12.942 ( -2.023 -4.539 1.328) 5.144 13.318 ( 1.543 1.931 1.357) 2.820 13.421 ( -0.981 -3.190 -1.583) 3.694 13.994 ( -0.007 -2.566 0.762) 2.677 14.008 ( 0.304 -1.568 -0.690) 1.740 14.167 ( 2.778 -3.057 0.199) 4.136 14.189 ( 1.757 -4.791 -0.126) 5.105 17.347 ( 1.326 -1.075 0.528) 1.787 17.393 ( 1.966 -1.876 -0.863) 2.851 17.829 ( -3.544 2.019 0.890) 4.174 17.905 ( -2.811 -0.315 -0.559) 2.883 19.435 ( 0.544 -2.132 0.274) 2.217 19.441 ( 0.207 -2.281 -0.521) 2.349 19.563 ( -0.555 -0.371 0.737) 0.995 19.632 ( 0.493 -2.228 -0.678) 2.380 19.856 ( -0.688 -0.921 -0.649) 1.320 19.894 ( -0.221 -0.924 0.574) 1.110 20.001 ( 1.222 0.314 0.373) 1.315 20.031 ( 0.950 0.397 -0.013) 1.030 20.214 ( 0.317 -0.088 0.602) 0.686 20.307 ( -0.881 -0.864 -0.778) 1.459 21.050 ( 1.355 -0.138 0.238) 1.383 21.180 ( 0.817 -0.416 -0.065) 0.919 21.454 ( -1.040 -0.308 0.770) 1.330 21.475 ( -0.937 -1.094 -0.700) 1.602 27.447 ( -0.781 0.486 -0.043) 0.921 27.466 ( -0.641 -0.145 0.088) 0.663 27.535 ( -0.080 0.263 0.185) 0.331 27.559 ( 0.045 -0.267 -0.222) 0.350 28.441 ( -0.019 0.962 0.053) 0.963 28.454 ( 0.137 0.403 -0.035) 0.427 34.998 ( -6.442 6.059 -0.652) 8.868 35.064 ( -5.542 5.717 0.725) 7.995 35.879 ( 8.527 8.921 -0.163) 12.343 36.027 ( 12.543 2.809 0.844) 12.881 38.263 ( 4.154 3.026 0.314) 5.149 38.448 ( 11.288 -1.242 2.410) 11.609 38.556 ( 7.307 8.777 -4.650) 12.331 38.580 ( 10.181 4.970 0.836) 11.360 40.067 ( -1.095 7.218 3.076) 7.922 40.168 ( -1.873 5.677 -4.921) 7.743 40.897 ( -14.693 -10.364 0.704) 17.994 41.158 ( -9.061 -17.131 1.119) 19.412 ======================= Grid point 111 (59/90) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -2.086 1.413 0.428) 2.555 1.429 ( -1.346 1.549 0.521) 2.117 1.629 ( 0.443 6.119 -1.753) 6.380 1.682 ( 0.620 3.953 0.358) 4.017 1.725 ( -2.922 3.303 0.478) 4.435 1.974 ( 0.698 7.602 -4.566) 8.895 2.047 ( -3.300 9.929 1.044) 10.515 2.120 ( -2.464 0.655 1.802) 3.122 2.525 ( 4.381 2.412 1.552) 5.236 2.657 ( 5.729 3.921 2.228) 7.291 2.716 ( 8.064 3.771 0.701) 8.930 2.796 ( 5.660 3.071 -1.028) 6.521 3.013 ( 2.781 6.920 2.961) 8.024 3.092 ( 3.611 1.761 -2.335) 4.647 3.128 ( 7.348 -5.786 2.557) 9.696 3.241 ( 0.545 -0.827 -10.979) 11.023 3.376 ( 7.547 1.618 2.144) 8.011 3.414 ( 7.838 4.864 6.722) 11.414 3.581 ( -0.664 5.804 0.503) 5.863 3.640 ( -0.106 0.941 -0.255) 0.981 3.740 ( -3.347 1.459 -4.243) 5.598 3.860 ( -1.752 2.298 -0.180) 2.895 4.004 ( 2.344 4.976 -3.250) 6.388 4.146 ( 1.314 -8.352 0.020) 8.455 4.192 ( -1.900 2.223 1.639) 3.352 4.259 ( 0.541 -5.559 1.354) 5.747 4.322 ( 4.119 -0.850 0.693) 4.262 4.415 ( 1.834 6.369 3.818) 7.649 4.496 ( 1.093 6.695 -0.620) 6.812 4.655 ( -1.756 -6.481 1.680) 6.922 4.751 ( -4.897 -2.746 -5.142) 7.614 4.798 ( -6.142 5.500 -2.381) 8.582 5.119 ( -1.368 -4.952 0.799) 5.199 5.177 ( 0.890 -4.488 1.851) 4.935 5.508 ( -2.413 -0.493 3.343) 4.152 5.699 ( -2.132 0.965 -1.920) 3.028 5.870 ( -1.416 -6.325 -1.065) 6.568 5.983 ( 3.686 -3.219 1.576) 5.141 6.297 ( -0.613 4.814 3.537) 6.005 6.479 ( 4.748 0.079 -2.511) 5.371 6.523 ( -1.769 11.103 -2.169) 11.451 6.690 ( -5.953 6.302 1.626) 8.820 6.924 ( -1.398 -3.936 0.636) 4.225 6.972 ( -4.551 -2.026 -2.249) 5.466 8.176 ( 2.015 6.105 0.348) 6.438 8.390 ( 6.539 -0.160 0.996) 6.617 8.785 ( -5.895 5.539 -1.089) 8.161 8.936 ( -6.801 -0.477 -0.042) 6.817 9.907 ( -0.434 -1.287 1.984) 2.405 9.957 ( 0.017 -0.900 0.505) 1.032 10.115 ( 0.272 -0.761 -1.161) 1.415 10.132 ( -0.180 -3.361 -1.220) 3.580 11.441 ( -0.485 1.106 2.972) 3.208 11.531 ( -0.952 1.883 -3.696) 4.256 12.043 ( 1.509 2.093 1.324) 2.900 12.119 ( -0.910 -0.475 -0.025) 1.027 12.695 ( 0.871 1.446 -0.233) 1.704 12.747 ( 1.401 2.926 -1.451) 3.554 12.851 ( -1.908 -1.114 1.042) 2.442 12.932 ( 0.105 -7.728 0.004) 7.729 13.344 ( 1.005 1.412 -0.285) 1.756 13.393 ( -1.487 -0.569 0.218) 1.607 13.992 ( -0.337 -3.274 0.843) 3.397 14.009 ( 0.033 -1.928 -0.832) 2.100 14.212 ( 1.534 -4.326 0.317) 4.601 14.243 ( 2.615 -2.798 -0.452) 3.856 17.382 ( 1.806 -0.734 0.665) 2.060 17.435 ( 1.939 -1.713 -1.193) 2.849 17.759 ( -2.818 1.719 0.951) 3.435 17.833 ( -3.664 -0.634 -0.647) 3.775 19.446 ( 0.496 -2.074 -0.210) 2.143 19.449 ( 0.409 -2.263 -0.155) 2.305 19.553 ( -0.372 -0.217 0.964) 1.056 19.635 ( -0.087 -2.449 -1.160) 2.711 19.851 ( 0.229 -1.010 -0.184) 1.052 19.882 ( -0.840 -0.929 0.529) 1.360 20.030 ( 1.314 1.057 0.252) 1.705 20.050 ( 0.844 0.140 0.171) 0.872 20.225 ( 0.627 -0.233 0.238) 0.710 20.281 ( -1.421 -0.666 -0.253) 1.589 21.092 ( 2.427 -0.264 -0.225) 2.451 21.184 ( -0.475 -0.968 0.257) 1.109 21.431 ( -1.255 -0.269 1.183) 1.746 21.456 ( -0.535 -0.328 -1.047) 1.220 27.433 ( -0.412 0.285 -0.145) 0.522 27.449 ( -0.836 -0.102 0.124) 0.851 27.536 ( 0.129 0.295 0.308) 0.445 27.558 ( -0.107 -0.110 -0.303) 0.339 28.442 ( 0.081 0.903 0.086) 0.911 28.456 ( 0.037 0.316 -0.129) 0.343 34.899 ( -2.902 6.154 -0.071) 6.804 34.962 ( -3.958 6.093 0.076) 7.266 36.044 ( 6.554 8.808 1.886) 11.139 36.242 ( 7.287 0.517 -0.903) 7.361 38.347 ( 3.238 3.522 -0.261) 4.792 38.568 ( 2.274 2.304 -8.345) 8.950 38.802 ( 13.198 1.724 7.133) 15.101 38.870 ( 15.105 3.269 -0.572) 15.465 40.037 ( -0.923 6.623 1.242) 6.802 40.167 ( 1.584 4.560 -1.560) 5.073 40.588 ( -13.098 -7.602 0.564) 15.154 40.892 ( -15.505 -14.625 0.323) 21.317 ======================= Grid point 112 (60/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.371 0.000 1.338) 1.388 1.433 ( -0.292 0.000 -0.476) 0.558 1.684 ( -0.402 0.000 0.250) 0.474 1.723 ( 1.591 0.000 -1.767) 2.377 1.755 ( -0.705 0.000 2.617) 2.710 1.976 ( -3.632 0.000 -6.952) 7.843 2.134 ( 2.707 0.000 1.123) 2.931 2.148 ( 0.556 0.000 -0.361) 0.663 2.628 ( 1.737 0.000 5.974) 6.222 2.663 ( 1.324 0.000 6.224) 6.364 2.788 ( 0.576 0.000 -3.035) 3.089 3.080 ( -1.696 0.000 2.883) 3.345 3.141 ( -0.040 0.000 0.501) 0.503 3.151 ( -4.983 -0.000 -12.614) 13.562 3.220 ( 5.255 0.000 4.075) 6.650 3.269 ( 7.398 -0.000 1.745) 7.601 3.459 ( -12.140 0.000 -2.852) 12.471 3.465 ( -12.445 -0.000 -5.925) 13.783 3.641 ( 7.435 0.000 1.199) 7.531 3.669 ( 6.632 0.000 6.760) 9.470 3.681 ( -0.537 -0.000 -2.328) 2.389 3.795 ( -1.857 0.000 -0.297) 1.880 4.024 ( 3.184 0.000 3.420) 4.673 4.132 ( -0.574 0.000 -1.232) 1.359 4.221 ( 7.550 0.000 1.083) 7.627 4.262 ( -5.474 -0.000 -1.093) 5.582 4.421 ( 5.482 0.000 -1.597) 5.710 4.438 ( -5.592 0.000 -1.248) 5.729 4.519 ( 1.281 0.000 2.448) 2.763 4.545 ( -3.324 -0.000 3.537) 4.853 4.720 ( 0.682 0.000 -3.745) 3.807 4.843 ( -0.059 -0.000 -7.909) 7.909 4.975 ( -1.500 0.000 5.219) 5.430 5.093 ( 0.404 0.000 1.337) 1.396 5.508 ( 2.125 0.000 4.873) 5.316 5.746 ( -1.849 0.000 -4.374) 4.748 5.764 ( 4.204 -0.000 4.352) 6.051 5.947 ( -3.868 0.000 -2.961) 4.872 6.418 ( -0.948 0.000 2.155) 2.354 6.564 ( 3.623 0.000 -4.277) 5.605 6.612 ( -0.712 -0.000 3.073) 3.155 6.707 ( -3.537 0.000 1.205) 3.737 6.783 ( 2.535 0.000 -0.248) 2.547 6.872 ( -0.667 -0.000 -2.311) 2.405 8.308 ( 3.049 0.000 3.034) 4.301 8.465 ( -4.486 0.000 -3.303) 5.571 8.765 ( 4.283 0.000 1.150) 4.435 8.810 ( -2.744 0.000 -0.743) 2.843 9.890 ( 0.630 0.000 2.594) 2.669 9.954 ( 0.229 0.000 0.670) 0.708 10.086 ( -0.536 0.000 -1.431) 1.528 10.109 ( -0.210 0.000 -1.694) 1.707 11.439 ( -0.995 0.000 2.227) 2.439 11.554 ( 1.506 0.000 -2.416) 2.847 12.092 ( 0.316 -0.000 0.309) 0.442 12.099 ( -0.560 0.000 0.156) 0.581 12.732 ( 1.596 0.000 1.366) 2.101 12.772 ( -2.304 0.000 0.861) 2.460 12.823 ( -1.837 0.000 -1.651) 2.470 12.847 ( 2.420 0.000 -1.558) 2.878 13.363 ( -2.709 0.000 1.000) 2.888 13.394 ( 2.942 0.000 -0.186) 2.948 13.944 ( -0.736 0.000 0.800) 1.087 13.992 ( 0.439 0.000 -1.107) 1.191 14.187 ( 0.217 0.000 1.137) 1.157 14.241 ( -0.201 0.000 -0.996) 1.016 17.396 ( -0.222 0.000 0.782) 0.813 17.448 ( 0.306 0.000 -1.345) 1.379 17.734 ( -0.388 0.000 1.198) 1.259 17.785 ( 0.193 0.000 -0.913) 0.933 19.426 ( -0.200 0.000 0.000) 0.200 19.433 ( 0.141 0.000 -0.366) 0.392 19.554 ( 0.218 0.000 0.955) 0.979 19.603 ( -0.188 0.000 -1.096) 1.113 19.849 ( 0.706 0.000 0.311) 0.771 19.857 ( -0.709 0.000 -0.014) 0.710 20.056 ( -0.147 0.000 0.486) 0.507 20.063 ( 0.120 0.000 0.221) 0.251 20.235 ( 0.555 0.000 0.199) 0.590 20.254 ( -0.478 0.000 -0.506) 0.696 21.134 ( 1.624 0.000 0.238) 1.641 21.150 ( -1.408 0.000 -0.378) 1.458 21.407 ( -0.674 0.000 1.145) 1.329 21.457 ( 0.540 0.000 -0.836) 0.995 27.434 ( 0.302 0.000 0.010) 0.302 27.436 ( -0.327 0.000 -0.088) 0.339 27.540 ( -0.038 0.000 0.333) 0.336 27.556 ( 0.046 0.000 -0.329) 0.332 28.451 ( -0.165 0.000 0.117) 0.203 28.459 ( 0.136 0.000 -0.190) 0.234 34.941 ( 0.806 0.000 0.641) 1.030 34.978 ( -0.770 0.000 -0.837) 1.137 36.215 ( 0.815 0.000 2.864) 2.978 36.311 ( -0.583 0.000 -0.850) 1.030 38.418 ( -1.214 -0.000 -0.749) 1.426 38.563 ( -1.743 0.000 -9.112) 9.277 38.979 ( 0.368 0.000 6.793) 6.803 39.081 ( 1.746 0.000 0.256) 1.765 40.159 ( -3.140 0.000 2.788) 4.199 40.237 ( 7.431 -0.000 -0.051) 7.431 40.435 ( 4.668 0.000 -0.632) 4.711 40.446 ( -8.314 -0.000 -1.317) 8.418 ======================= Grid point 114 (61/90) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.476 0.000 1.054) 1.156 1.434 ( 0.528 -0.000 -0.526) 0.745 1.659 ( -2.644 0.000 -1.721) 3.155 1.743 ( 0.131 0.000 -0.312) 0.339 1.794 ( 4.531 0.000 4.482) 6.374 1.936 ( 1.058 0.000 -5.709) 5.806 2.187 ( 2.883 0.000 -0.220) 2.892 2.203 ( 3.530 -0.000 -1.137) 3.709 2.597 ( -3.993 0.000 4.871) 6.298 2.742 ( -5.860 0.000 -2.788) 6.489 2.769 ( 4.406 0.000 8.185) 9.296 2.961 ( -8.486 0.000 -4.935) 9.816 2.980 ( -19.537 -0.000 1.079) 19.567 3.063 ( -10.316 -0.000 -7.985) 13.045 3.103 ( -8.266 -0.000 -1.455) 8.393 3.117 ( -2.437 0.000 1.151) 2.695 3.297 ( 0.216 0.000 9.919) 9.922 3.401 ( -5.713 0.000 -2.833) 6.377 3.651 ( -5.122 -0.000 -0.403) 5.138 3.734 ( -0.848 -0.000 -2.549) 2.686 3.754 ( 5.571 0.000 -3.239) 6.444 3.795 ( 2.175 -0.000 5.320) 5.748 4.082 ( -0.222 0.000 2.133) 2.144 4.115 ( -0.715 0.000 -2.955) 3.040 4.247 ( -0.196 -0.000 -1.263) 1.278 4.288 ( -0.338 -0.000 -5.119) 5.130 4.359 ( 3.471 -0.000 4.020) 5.311 4.427 ( -2.686 0.000 0.364) 2.710 4.474 ( -2.717 0.000 4.959) 5.655 4.581 ( 3.603 0.000 1.517) 3.910 4.814 ( -2.761 0.000 -7.355) 7.856 4.817 ( 6.326 -0.000 -5.119) 8.138 4.970 ( 0.342 0.000 6.728) 6.737 5.182 ( 7.335 0.000 0.750) 7.373 5.568 ( 2.628 0.000 6.253) 6.783 5.722 ( 0.591 -0.000 -5.285) 5.318 5.809 ( -7.885 0.000 -4.481) 9.069 5.883 ( 6.338 0.000 4.242) 7.626 6.284 ( -8.327 0.000 4.247) 9.348 6.557 ( -1.732 -0.000 -3.509) 3.913 6.650 ( 0.617 0.000 0.256) 0.668 6.770 ( 6.606 0.000 -1.218) 6.717 6.871 ( 5.397 0.000 1.585) 5.625 6.935 ( 6.631 -0.000 -1.200) 6.739 8.297 ( -8.211 -0.000 -2.324) 8.533 8.337 ( -1.512 0.000 3.104) 3.453 8.819 ( 4.268 0.000 -0.785) 4.340 8.950 ( 10.182 0.000 0.064) 10.182 9.918 ( 1.700 0.000 2.622) 3.125 9.959 ( 0.149 0.000 0.415) 0.441 10.071 ( -0.633 0.000 -1.288) 1.435 10.097 ( -0.772 0.000 -1.705) 1.872 11.421 ( -0.754 0.000 1.783) 1.936 11.600 ( 2.917 0.000 -2.309) 3.720 12.073 ( -2.140 -0.000 1.184) 2.446 12.095 ( 0.243 0.000 -0.598) 0.645 12.731 ( -3.208 0.000 -1.905) 3.731 12.770 ( 1.607 -0.000 2.069) 2.620 12.791 ( 1.169 0.000 -0.966) 1.516 12.892 ( 1.641 0.000 0.876) 1.860 13.302 ( -2.727 0.000 -1.058) 2.925 13.448 ( 1.661 0.000 0.972) 1.925 13.934 ( -0.241 0.000 0.390) 0.459 14.000 ( 0.299 0.000 -0.716) 0.775 14.176 ( -1.204 0.000 1.014) 1.574 14.204 ( -3.001 0.000 -0.859) 3.121 17.370 ( -1.921 0.000 0.654) 2.030 17.422 ( -2.156 0.000 -1.093) 2.418 17.771 ( 3.300 0.000 1.047) 3.462 17.827 ( 3.417 -0.000 -0.777) 3.505 19.416 ( -0.634 0.000 -0.067) 0.638 19.433 ( -0.137 0.000 -0.169) 0.217 19.561 ( 0.292 0.000 0.959) 1.003 19.598 ( -0.140 -0.000 -1.146) 1.154 19.848 ( -0.114 0.000 -0.604) 0.614 19.868 ( 0.954 0.000 0.768) 1.225 20.037 ( -1.524 0.000 0.596) 1.636 20.056 ( -0.766 -0.000 0.060) 0.769 20.243 ( 0.020 -0.000 0.881) 0.882 20.255 ( 0.593 0.000 -1.133) 1.279 21.124 ( -0.865 -0.000 -1.683) 1.892 21.146 ( -0.625 0.000 1.681) 1.794 21.409 ( 0.762 0.000 0.548) 0.939 21.470 ( 0.700 0.000 -0.432) 0.823 27.435 ( 0.233 0.000 -0.218) 0.319 27.448 ( 1.011 -0.000 0.164) 1.024 27.540 ( -0.044 0.000 0.311) 0.314 27.556 ( -0.018 0.000 -0.313) 0.313 28.448 ( -0.156 0.000 0.036) 0.160 28.461 ( 0.081 0.000 -0.079) 0.113 34.994 ( 2.443 0.000 -1.313) 2.774 34.995 ( 4.291 -0.000 1.158) 4.444 36.174 ( -4.915 0.000 2.866) 5.689 36.215 ( -8.280 -0.000 -1.370) 8.393 38.360 ( -3.642 -0.000 0.497) 3.676 38.474 ( -5.718 0.000 -5.658) 8.044 38.892 ( -7.329 0.000 2.413) 7.716 38.933 ( -14.631 -0.000 0.572) 14.643 40.098 ( -1.813 0.000 0.068) 1.814 40.319 ( 1.785 -0.000 2.679) 3.219 40.525 ( 13.021 0.000 -5.349) 14.077 40.656 ( 13.460 -0.000 3.245) 13.845 ======================= Grid point 116 (62/90) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.419 0.000 0.466) 0.627 1.455 ( 1.508 0.000 -0.374) 1.553 1.596 ( -2.941 0.000 0.552) 2.992 1.724 ( -1.777 0.000 -0.221) 1.791 1.900 ( 4.227 0.000 2.624) 4.975 2.007 ( 5.686 0.000 -3.845) 6.864 2.239 ( 1.314 -0.000 -0.354) 1.361 2.253 ( 0.205 0.000 -2.747) 2.755 2.465 ( -9.603 0.000 4.494) 10.603 2.474 ( -18.123 0.000 -2.100) 18.244 2.565 ( -12.216 -0.000 -1.590) 12.319 2.701 ( -9.450 -0.000 -2.596) 9.800 2.903 ( 2.372 -0.000 6.516) 6.934 2.934 ( -1.299 0.000 -4.489) 4.673 2.992 ( -9.951 -0.000 0.279) 9.955 3.100 ( 1.591 0.000 0.326) 1.624 3.242 ( -5.590 0.000 7.999) 9.759 3.362 ( 5.129 -0.000 3.159) 6.024 3.532 ( -3.498 -0.000 -1.021) 3.644 3.631 ( -6.424 0.000 -6.145) 8.890 3.832 ( 1.252 0.000 3.174) 3.412 3.893 ( 4.244 -0.000 -0.054) 4.245 4.063 ( -0.930 0.000 -0.144) 0.942 4.091 ( -1.593 0.000 -8.252) 8.404 4.129 ( -5.278 -0.000 -1.035) 5.378 4.316 ( -2.378 -0.000 -1.406) 2.763 4.396 ( 3.459 0.000 -1.631) 3.825 4.401 ( -1.993 -0.000 6.372) 6.677 4.500 ( 2.844 -0.000 6.329) 6.939 4.652 ( 0.124 0.000 0.856) 0.865 4.766 ( 2.534 -0.000 -8.826) 9.183 4.824 ( -4.834 0.000 -0.710) 4.886 5.047 ( 5.463 0.000 2.836) 6.156 5.322 ( 4.599 0.000 1.326) 4.786 5.617 ( 1.478 0.000 5.086) 5.296 5.650 ( -5.400 0.000 -1.449) 5.591 5.776 ( 3.961 0.000 -5.184) 6.524 5.981 ( 0.169 0.000 -3.555) 3.559 6.189 ( 1.297 0.000 10.077) 10.161 6.532 ( -0.452 0.000 -3.716) 3.744 6.631 ( -1.862 0.000 0.422) 1.910 6.892 ( 4.832 0.000 -3.096) 5.739 6.988 ( 5.213 0.000 1.929) 5.558 7.078 ( 5.960 -0.000 -0.164) 5.962 8.162 ( -4.518 -0.000 -0.249) 4.525 8.268 ( -4.214 0.000 -0.079) 4.215 8.953 ( 7.059 0.000 2.144) 7.377 9.137 ( 7.470 0.000 -1.770) 7.676 9.959 ( -0.119 0.000 -0.037) 0.125 9.960 ( 1.953 -0.000 1.714) 2.599 10.062 ( -0.037 0.000 -0.501) 0.503 10.075 ( -0.968 -0.000 -1.272) 1.598 11.416 ( 0.058 0.000 2.340) 2.341 11.654 ( 2.251 0.000 -3.463) 4.130 12.019 ( -2.806 0.000 2.290) 3.622 12.105 ( 0.696 0.000 -1.838) 1.965 12.656 ( -3.093 0.000 -0.600) 3.151 12.790 ( -0.092 -0.000 0.324) 0.336 12.857 ( 4.428 0.000 -2.147) 4.921 12.907 ( -0.379 0.000 3.250) 3.272 13.267 ( -0.231 -0.000 -1.227) 1.249 13.453 ( -1.255 0.000 0.875) 1.530 13.938 ( 0.603 0.000 0.252) 0.654 13.998 ( -0.397 0.000 -0.503) 0.641 14.131 ( -3.567 0.000 -0.109) 3.568 14.151 ( -1.139 -0.000 0.283) 1.174 17.333 ( -1.512 0.000 0.627) 1.637 17.376 ( -1.927 0.000 -0.901) 2.127 17.846 ( 3.351 0.000 1.089) 3.523 17.901 ( 3.335 -0.000 -0.802) 3.430 19.403 ( -0.570 0.000 0.030) 0.571 19.429 ( -0.186 0.000 -0.149) 0.238 19.566 ( 0.067 0.000 0.863) 0.866 19.596 ( 0.047 0.000 -0.888) 0.889 19.850 ( 0.383 0.000 -0.925) 1.002 19.886 ( 0.659 0.000 0.666) 0.937 20.005 ( -1.423 0.000 0.955) 1.713 20.035 ( -1.117 -0.000 -0.325) 1.164 20.237 ( -0.671 -0.000 1.532) 1.672 20.272 ( 1.108 0.000 -1.814) 2.125 21.115 ( 0.261 -0.000 -2.439) 2.453 21.117 ( -2.215 0.000 2.559) 3.384 21.433 ( 1.323 0.000 0.246) 1.345 21.481 ( 0.422 0.000 -0.234) 0.482 27.444 ( 0.600 0.000 -0.057) 0.603 27.471 ( 1.017 0.000 0.061) 1.019 27.539 ( -0.025 -0.000 0.291) 0.293 27.555 ( -0.128 0.000 -0.316) 0.341 28.446 ( -0.022 0.000 0.055) 0.060 28.462 ( -0.004 0.000 -0.043) 0.043 35.074 ( 5.208 0.000 -1.248) 5.355 35.114 ( 6.758 -0.000 1.139) 6.853 35.994 ( -11.961 0.000 -1.073) 12.009 36.033 ( -8.412 -0.000 1.843) 8.612 38.297 ( -2.084 -0.000 3.013) 3.663 38.340 ( -6.052 0.000 -2.011) 6.377 38.588 ( -16.315 0.000 0.162) 16.316 38.744 ( -6.217 0.000 -2.053) 6.547 40.089 ( 0.680 0.000 0.356) 0.767 40.377 ( 2.620 -0.000 -1.835) 3.199 40.793 ( 11.947 0.000 -1.964) 12.108 40.914 ( 9.847 -0.000 3.519) 10.457 ======================= Grid point 118 (63/90) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.213 0.000 0.489) 1.308 1.490 ( 1.672 0.000 -1.469) 2.226 1.550 ( -1.346 0.000 3.165) 3.439 1.680 ( -1.932 0.000 -0.825) 2.101 1.951 ( 0.537 0.000 1.789) 1.868 2.118 ( 3.680 0.000 -3.921) 5.377 2.152 ( -5.899 0.000 -1.874) 6.190 2.166 ( -7.117 -0.000 0.965) 7.182 2.253 ( -0.478 0.000 -1.780) 1.843 2.311 ( -4.523 -0.000 0.082) 4.524 2.466 ( 0.065 -0.000 1.261) 1.262 2.573 ( -3.566 0.000 -2.180) 4.179 2.815 ( -4.551 0.000 1.763) 4.881 2.910 ( -1.082 0.000 -1.768) 2.072 2.939 ( 0.844 -0.000 4.524) 4.603 3.103 ( -1.741 0.000 3.373) 3.795 3.171 ( -0.304 0.000 0.788) 0.845 3.462 ( -8.601 -0.000 -6.986) 11.081 3.539 ( 2.828 -0.000 2.595) 3.838 3.546 ( 9.734 0.000 5.840) 11.352 3.844 ( -0.667 0.000 0.729) 0.988 3.930 ( -0.049 -0.000 1.211) 1.212 4.034 ( -1.908 0.000 -9.697) 9.883 4.045 ( -1.533 0.000 -1.121) 1.899 4.058 ( 0.073 0.000 1.758) 1.760 4.301 ( -0.872 0.000 -3.542) 3.648 4.369 ( -0.939 0.000 4.434) 4.533 4.431 ( 0.631 0.000 -0.185) 0.658 4.551 ( 0.971 -0.000 0.896) 1.321 4.603 ( -2.006 -0.000 -2.228) 2.998 4.692 ( -6.103 0.000 4.169) 7.391 4.867 ( 5.074 0.000 -7.640) 9.171 5.152 ( 4.098 0.000 3.198) 5.198 5.348 ( -2.202 0.000 2.352) 3.222 5.596 ( 0.168 -0.000 2.534) 2.540 5.643 ( 0.565 0.000 2.635) 2.695 5.854 ( 3.302 -0.000 -4.118) 5.278 5.915 ( -3.550 0.000 -4.153) 5.463 6.293 ( 3.649 0.000 5.550) 6.642 6.518 ( -0.641 0.000 -3.541) 3.598 6.604 ( 0.238 -0.000 4.973) 4.979 6.940 ( -0.036 0.000 -5.778) 5.778 7.082 ( 3.421 0.000 2.492) 4.232 7.157 ( 1.511 0.000 -0.189) 1.523 8.106 ( -1.044 0.000 0.894) 1.375 8.196 ( -2.208 0.000 -1.592) 2.722 9.068 ( 3.162 0.000 3.499) 4.716 9.242 ( 2.674 0.000 -2.670) 3.779 9.955 ( -0.207 0.000 -0.129) 0.244 9.984 ( -0.173 0.000 -0.380) 0.417 10.066 ( 0.370 -0.000 0.156) 0.402 10.068 ( 0.560 0.000 0.212) 0.598 11.427 ( 0.634 0.000 3.445) 3.503 11.676 ( 0.121 0.000 -4.908) 4.910 11.977 ( -1.275 0.000 2.924) 3.190 12.117 ( 0.668 0.000 -2.872) 2.949 12.618 ( -0.364 0.000 1.242) 1.295 12.767 ( -1.732 0.000 -2.475) 3.021 12.887 ( -1.850 -0.000 3.460) 3.924 12.944 ( 3.702 0.000 -2.380) 4.401 13.289 ( 2.098 0.000 0.931) 2.296 13.407 ( -2.801 0.000 0.102) 2.803 13.957 ( 1.003 0.000 0.182) 1.020 13.988 ( -0.349 0.000 -0.419) 0.545 14.074 ( -1.517 -0.000 1.026) 1.832 14.132 ( -0.676 0.000 -0.664) 0.947 17.312 ( -0.536 0.000 0.598) 0.803 17.348 ( -0.665 0.000 -0.788) 1.031 17.898 ( 1.314 0.000 1.163) 1.755 17.950 ( 1.320 0.000 -0.869) 1.580 19.396 ( -0.045 0.000 0.270) 0.273 19.424 ( -0.269 0.000 -0.411) 0.491 19.567 ( -0.011 0.000 0.860) 0.860 19.598 ( 0.190 0.000 -0.566) 0.597 19.861 ( 0.782 0.000 -0.620) 0.998 19.889 ( -0.505 0.000 -0.191) 0.539 19.984 ( -0.673 0.000 1.169) 1.348 20.018 ( -0.342 0.000 -0.377) 0.509 20.222 ( -0.786 -0.000 1.621) 1.802 20.293 ( 1.072 0.000 -2.098) 2.356 21.071 ( -2.160 0.000 2.353) 3.194 21.128 ( 1.185 0.000 -2.126) 2.434 21.456 ( 0.737 0.000 0.345) 0.814 21.485 ( -0.074 0.000 -0.268) 0.278 27.457 ( 0.541 0.000 0.301) 0.619 27.485 ( 0.218 0.000 -0.259) 0.338 27.539 ( -0.037 0.000 0.255) 0.258 27.552 ( -0.069 0.000 -0.292) 0.300 28.447 ( 0.123 0.000 0.169) 0.209 28.461 ( -0.107 0.000 -0.125) 0.164 35.185 ( 4.663 0.000 -0.368) 4.678 35.243 ( 3.838 0.000 -0.087) 3.839 35.783 ( -6.018 0.000 0.683) 6.056 35.868 ( -6.269 0.000 0.194) 6.272 38.251 ( -1.864 0.000 -0.380) 1.902 38.296 ( 1.798 0.000 5.195) 5.497 38.322 ( -8.534 -0.000 -0.249) 8.538 38.644 ( -3.004 0.000 -4.823) 5.682 40.116 ( 1.579 0.000 2.121) 2.644 40.394 ( -0.861 0.000 -5.538) 5.605 40.986 ( 6.359 0.000 1.003) 6.438 41.044 ( 2.138 -0.000 2.138) 3.023 ======================= Grid point 120 (64/90) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.290 0.000 0.742) 0.797 1.498 ( -1.032 0.000 -1.842) 2.112 1.568 ( 3.076 0.000 3.782) 4.875 1.661 ( 0.235 0.000 -1.312) 1.332 1.960 ( -0.501 0.000 2.227) 2.283 2.101 ( 1.403 0.000 -5.145) 5.333 2.146 ( 3.819 -0.000 -0.364) 3.836 2.156 ( -0.419 0.000 0.217) 0.472 2.284 ( 3.977 0.000 -1.896) 4.406 2.289 ( 4.878 -0.000 0.268) 4.886 2.476 ( 0.379 0.000 1.787) 1.827 2.536 ( 0.791 0.000 -2.568) 2.687 2.852 ( 5.734 0.000 2.359) 6.200 2.904 ( 1.688 0.000 -2.460) 2.984 2.948 ( -0.362 0.000 5.480) 5.492 3.085 ( -0.462 0.000 0.971) 1.075 3.212 ( 4.075 0.000 4.145) 5.812 3.305 ( -4.056 0.000 -4.615) 6.144 3.583 ( 0.437 0.000 3.468) 3.495 3.722 ( 5.766 0.000 3.748) 6.877 3.797 ( -3.496 -0.000 -0.806) 3.588 3.908 ( -1.436 0.000 -3.136) 3.449 4.019 ( 0.961 0.000 -6.096) 6.172 4.029 ( -0.390 -0.000 -1.755) 1.798 4.121 ( 5.142 0.000 4.254) 6.674 4.244 ( -2.509 -0.000 -5.572) 6.111 4.390 ( 1.591 0.000 3.546) 3.886 4.441 ( 0.956 0.000 0.125) 0.964 4.477 ( -6.159 0.000 0.516) 6.181 4.598 ( 1.406 -0.000 -1.679) 2.191 4.673 ( 2.133 -0.000 2.882) 3.585 4.927 ( 1.493 0.000 -7.804) 7.945 5.211 ( 0.800 0.000 5.074) 5.137 5.261 ( -5.608 0.000 1.831) 5.899 5.636 ( -1.791 -0.000 1.586) 2.393 5.654 ( 4.721 0.000 4.358) 6.425 5.853 ( -2.141 -0.000 -6.637) 6.974 5.886 ( 0.212 0.000 -2.606) 2.614 6.284 ( -3.706 0.000 6.088) 7.127 6.500 ( -0.659 0.000 -3.897) 3.952 6.671 ( 4.292 0.000 6.657) 7.921 6.888 ( -3.753 0.000 -6.767) 7.738 7.116 ( -0.886 0.000 2.265) 2.432 7.144 ( -2.550 0.000 -0.854) 2.690 8.119 ( 2.268 0.000 1.475) 2.706 8.178 ( 0.528 0.000 -2.157) 2.221 9.082 ( -2.101 0.000 3.889) 4.420 9.234 ( -3.281 0.000 -3.074) 4.496 9.952 ( -0.132 0.000 0.262) 0.293 9.957 ( -1.955 -0.000 -0.665) 2.065 10.081 ( 0.545 -0.000 0.199) 0.580 10.083 ( 0.912 0.000 0.063) 0.915 11.445 ( 0.530 0.000 4.282) 4.315 11.649 ( -1.947 0.000 -5.720) 6.042 11.977 ( 0.961 0.000 2.805) 2.966 12.125 ( 0.411 0.000 -2.796) 2.826 12.647 ( 2.902 0.000 2.530) 3.850 12.728 ( -1.437 0.000 -3.697) 3.967 12.845 ( -2.240 0.000 1.895) 2.934 12.983 ( -0.143 0.000 -0.813) 0.826 13.342 ( 2.534 0.000 2.872) 3.830 13.357 ( -1.573 -0.000 -1.889) 2.458 13.971 ( 0.222 0.000 0.324) 0.393 13.987 ( 0.274 0.000 -0.608) 0.667 14.080 ( 1.902 -0.000 1.485) 2.413 14.121 ( -0.188 0.000 -1.076) 1.093 17.313 ( 0.533 0.000 0.613) 0.812 17.347 ( 0.708 0.000 -0.803) 1.070 17.899 ( -1.261 0.000 1.207) 1.746 17.950 ( -1.293 0.000 -0.913) 1.583 19.401 ( 0.454 0.000 0.480) 0.661 19.418 ( -0.158 0.000 -0.621) 0.641 19.567 ( -0.165 0.000 0.754) 0.772 19.602 ( 0.262 0.000 -0.455) 0.525 19.868 ( -1.254 0.000 -0.929) 1.561 19.879 ( 0.785 0.000 0.103) 0.791 19.981 ( 0.341 0.000 1.100) 1.152 20.021 ( 0.577 0.000 -0.298) 0.650 20.212 ( -0.293 0.000 1.173) 1.209 20.306 ( 0.266 0.000 -1.657) 1.678 21.042 ( -0.677 0.000 1.274) 1.442 21.154 ( 1.363 0.000 -1.041) 1.715 21.462 ( -0.188 0.000 0.610) 0.639 21.478 ( -0.568 0.000 -0.533) 0.779 27.464 ( 0.068 0.000 0.585) 0.589 27.478 ( -0.781 0.000 -0.543) 0.951 27.538 ( -0.022 0.000 0.238) 0.239 27.552 ( 0.112 0.000 -0.275) 0.297 28.450 ( 0.155 0.000 0.294) 0.332 28.458 ( -0.135 0.000 -0.250) 0.284 35.205 ( -6.328 0.000 -1.350) 6.471 35.214 ( -2.446 0.000 0.912) 2.611 35.824 ( 8.702 -0.000 2.097) 8.951 35.835 ( 3.710 0.000 -1.236) 3.910 38.236 ( -0.026 0.000 0.711) 0.711 38.278 ( 4.643 0.000 0.996) 4.748 38.397 ( 7.453 0.000 4.646) 8.782 38.613 ( 0.680 0.000 -6.631) 6.666 40.149 ( 1.083 0.000 3.902) 4.050 40.331 ( -4.299 0.000 -7.074) 8.278 41.003 ( -6.070 0.000 0.354) 6.081 41.046 ( -0.985 0.000 2.563) 2.746 ======================= Grid point 122 (65/90) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -1.397 0.000 0.973) 1.702 1.463 ( -1.524 0.000 -0.735) 1.692 1.661 ( 4.331 0.000 2.846) 5.182 1.673 ( 0.882 0.000 -2.625) 2.770 1.887 ( -6.100 -0.000 1.603) 6.307 2.081 ( -2.125 0.000 -3.474) 4.072 2.164 ( 0.028 0.000 -0.703) 0.704 2.195 ( -0.558 -0.000 -1.126) 1.257 2.457 ( 6.183 -0.000 1.280) 6.314 2.525 ( 15.823 -0.000 -0.700) 15.838 2.560 ( 13.080 0.000 -0.096) 13.081 2.638 ( 10.356 0.000 -2.626) 10.684 2.820 ( -6.469 0.000 2.164) 6.821 2.989 ( 6.098 0.000 -0.327) 6.107 3.049 ( 5.892 0.000 3.303) 6.754 3.087 ( 1.348 -0.000 -1.047) 1.707 3.338 ( 6.756 0.000 8.205) 10.629 3.349 ( 8.473 -0.000 1.150) 8.550 3.546 ( -4.499 0.000 -3.591) 5.756 3.755 ( 0.493 0.000 3.755) 3.787 3.773 ( -0.235 -0.000 -3.515) 3.523 3.897 ( 0.623 0.000 -2.872) 2.939 4.005 ( -2.016 -0.000 -2.845) 3.487 4.039 ( 1.120 0.000 -2.434) 2.679 4.219 ( 0.437 -0.000 -5.735) 5.752 4.225 ( 4.063 0.000 3.030) 5.068 4.310 ( -7.120 -0.000 2.698) 7.614 4.482 ( 4.061 -0.000 5.178) 6.581 4.485 ( 2.679 0.000 2.220) 3.480 4.616 ( -1.075 0.000 -0.630) 1.246 4.717 ( 1.826 -0.000 -2.651) 3.219 4.924 ( -0.621 -0.000 -6.704) 6.733 5.160 ( -3.436 -0.000 0.759) 3.518 5.179 ( -4.571 0.000 5.693) 7.301 5.571 ( -4.321 -0.000 2.038) 4.778 5.766 ( 4.056 -0.000 1.580) 4.353 5.789 ( -3.571 0.000 -7.959) 8.724 5.884 ( 1.149 0.000 0.877) 1.445 6.238 ( 0.027 0.000 8.815) 8.815 6.487 ( -0.030 0.000 -4.786) 4.786 6.739 ( 0.967 -0.000 4.313) 4.420 6.799 ( -3.493 0.000 -5.961) 6.909 7.039 ( -6.626 -0.000 2.018) 6.926 7.057 ( -5.457 0.000 -1.237) 5.595 8.203 ( 1.831 0.000 -2.203) 2.864 8.210 ( 6.401 -0.000 1.906) 6.679 9.005 ( -5.179 -0.000 3.784) 6.414 9.101 ( -8.963 0.000 -3.439) 9.600 9.915 ( -1.877 0.000 0.493) 1.940 9.950 ( -0.105 -0.000 0.653) 0.661 10.090 ( 0.329 0.000 -0.421) 0.535 10.099 ( 0.726 0.000 -0.819) 1.095 11.455 ( -0.011 0.000 4.221) 4.221 11.595 ( -2.438 0.000 -5.288) 5.823 12.016 ( 2.279 0.000 1.889) 2.960 12.126 ( -0.194 0.000 -1.496) 1.509 12.706 ( -0.327 0.000 -2.874) 2.892 12.733 ( 4.605 0.000 2.578) 5.277 12.809 ( -1.050 -0.000 -0.378) 1.116 12.937 ( -3.955 0.000 1.430) 4.205 13.341 ( 0.094 0.000 -3.817) 3.819 13.388 ( 1.355 -0.000 3.536) 3.787 13.969 ( -0.342 -0.000 0.998) 1.055 13.990 ( 0.004 0.000 -1.265) 1.265 14.131 ( 1.282 0.000 -0.341) 1.326 14.143 ( 3.617 0.000 0.532) 3.656 17.336 ( 1.594 0.000 0.727) 1.752 17.374 ( 1.852 0.000 -1.000) 2.104 17.852 ( -3.246 -0.000 1.249) 3.478 17.899 ( -3.352 0.000 -0.964) 3.488 19.414 ( 0.598 0.000 0.462) 0.755 19.419 ( 0.261 0.000 -0.589) 0.645 19.561 ( -0.403 0.000 0.601) 0.724 19.607 ( 0.169 0.000 -0.616) 0.639 19.845 ( -0.712 0.000 -0.826) 1.091 19.886 ( -0.203 0.000 0.553) 0.589 20.003 ( 1.602 -0.000 0.938) 1.856 20.036 ( 0.853 0.000 -0.289) 0.901 20.213 ( 0.277 0.000 0.531) 0.598 20.299 ( -0.855 0.000 -0.820) 1.185 21.050 ( 1.300 0.000 0.027) 1.300 21.176 ( 0.581 0.000 0.096) 0.588 21.451 ( -0.957 0.000 0.966) 1.360 21.463 ( -0.679 0.000 -0.956) 1.172 27.457 ( -1.087 0.000 -0.536) 1.211 27.460 ( -0.509 0.000 0.539) 0.742 27.539 ( 0.042 0.000 0.299) 0.302 27.554 ( 0.104 0.000 -0.323) 0.339 28.453 ( 0.068 0.000 0.328) 0.335 28.456 ( -0.019 -0.000 -0.315) 0.316 35.061 ( -6.325 0.000 -0.849) 6.382 35.121 ( -5.368 0.000 0.740) 5.419 35.977 ( 8.508 0.000 -0.378) 8.516 36.049 ( 11.175 0.000 1.143) 11.234 38.295 ( 4.730 0.000 1.078) 4.852 38.430 ( 8.659 0.000 0.641) 8.682 38.614 ( 12.859 0.000 2.521) 13.104 38.664 ( 5.388 0.000 -5.161) 7.461 40.167 ( 0.205 -0.000 4.756) 4.760 40.221 ( -4.864 0.000 -6.078) 7.785 40.807 ( -12.261 0.000 -1.275) 12.327 40.947 ( -8.754 0.000 2.710) 9.164 ======================= Grid point 124 (66/90) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -1.673 0.000 0.835) 1.870 1.443 ( -0.581 0.000 -0.278) 0.644 1.693 ( 1.382 0.000 -2.851) 3.168 1.711 ( -0.666 0.000 1.005) 1.206 1.777 ( -2.816 -0.000 2.211) 3.580 2.048 ( -1.263 0.000 -5.880) 6.014 2.123 ( -2.529 0.000 1.505) 2.943 2.163 ( -1.616 0.000 -0.523) 1.698 2.552 ( 3.903 0.000 3.960) 5.561 2.697 ( -4.045 -0.000 4.341) 5.934 2.730 ( 5.595 0.000 -1.911) 5.913 2.933 ( 18.808 -0.000 -0.418) 18.812 2.977 ( 15.813 0.000 -2.624) 16.029 3.081 ( 2.327 0.000 1.120) 2.582 3.125 ( 2.001 0.000 0.577) 2.083 3.203 ( 8.723 -0.000 -1.877) 8.923 3.393 ( -1.854 0.000 -4.442) 4.814 3.529 ( 6.109 0.000 6.750) 9.104 3.565 ( 8.369 -0.000 3.377) 9.024 3.731 ( -4.126 0.000 -7.154) 8.258 3.746 ( -5.108 0.000 0.154) 5.110 3.860 ( -5.027 -0.000 2.708) 5.710 3.973 ( 0.879 -0.000 0.087) 0.884 4.078 ( 4.112 0.000 -2.417) 4.770 4.173 ( -2.900 -0.000 0.195) 2.907 4.290 ( 4.986 0.000 -3.033) 5.836 4.305 ( 2.894 0.000 1.667) 3.340 4.498 ( -3.819 0.000 3.940) 5.487 4.554 ( -2.022 0.000 -0.432) 2.068 4.558 ( 1.890 -0.000 3.608) 4.073 4.737 ( 0.115 0.000 -4.080) 4.081 4.884 ( -2.517 -0.000 -7.993) 8.380 5.055 ( -6.694 0.000 5.600) 8.728 5.119 ( -1.655 -0.000 1.626) 2.320 5.496 ( -1.987 -0.000 2.993) 3.593 5.724 ( -0.908 -0.000 -1.641) 1.876 5.783 ( -1.044 0.000 -2.380) 2.599 5.952 ( 3.027 0.000 1.366) 3.321 6.316 ( 6.030 0.000 5.713) 8.307 6.498 ( 1.984 0.000 -4.812) 5.205 6.705 ( -4.658 -0.000 2.241) 5.169 6.750 ( -0.588 0.000 -3.873) 3.917 6.869 ( -9.020 0.000 2.093) 9.260 6.938 ( -5.039 0.000 -1.258) 5.194 8.245 ( 2.526 0.000 -0.432) 2.563 8.377 ( 8.832 -0.000 1.180) 8.911 8.880 ( -10.931 -0.000 -2.960) 11.324 8.897 ( -5.172 0.000 2.273) 5.649 9.888 ( -0.718 0.000 1.783) 1.922 9.950 ( 0.052 0.000 0.756) 0.757 10.093 ( -0.006 0.000 -1.058) 1.058 10.109 ( 0.305 0.000 -1.434) 1.466 11.453 ( -0.576 0.000 3.324) 3.374 11.551 ( -0.973 0.000 -3.814) 3.936 12.064 ( 2.043 0.000 0.678) 2.153 12.114 ( -0.770 0.000 -0.121) 0.780 12.708 ( 0.692 0.000 -0.671) 0.964 12.808 ( 1.177 0.000 -2.094) 2.402 12.817 ( 2.527 -0.000 0.485) 2.574 12.845 ( -4.480 0.000 2.327) 5.048 13.349 ( 1.283 0.000 -2.909) 3.180 13.398 ( -0.778 -0.000 2.841) 2.945 13.959 ( -0.721 0.000 1.144) 1.352 13.988 ( 0.045 0.000 -1.486) 1.487 14.165 ( 1.657 0.000 0.650) 1.780 14.213 ( 2.736 0.000 -0.476) 2.777 17.375 ( 1.814 0.000 0.842) 2.000 17.417 ( 2.257 0.000 -1.273) 2.591 17.779 ( -3.497 0.000 1.267) 3.719 17.823 ( -3.299 0.000 -1.006) 3.449 19.424 ( 0.324 0.000 0.224) 0.395 19.427 ( 0.491 0.000 -0.475) 0.683 19.554 ( -0.291 0.000 0.697) 0.755 19.607 ( -0.049 0.000 -0.878) 0.880 19.839 ( 0.177 0.000 -0.279) 0.331 19.874 ( -0.869 0.000 0.449) 0.978 20.039 ( 1.516 -0.000 0.715) 1.676 20.053 ( 0.730 0.000 -0.046) 0.732 20.223 ( 0.588 0.000 0.087) 0.595 20.274 ( -1.274 0.000 -0.347) 1.320 21.090 ( 2.357 0.000 -0.448) 2.399 21.174 ( -0.750 0.000 0.445) 0.872 21.428 ( -1.266 0.000 1.260) 1.786 21.453 ( -0.114 0.000 -1.143) 1.149 27.437 ( -0.608 0.000 -0.292) 0.674 27.447 ( -0.673 0.000 0.236) 0.713 27.540 ( 0.016 0.000 0.346) 0.346 27.556 ( 0.066 0.000 -0.346) 0.352 28.453 ( -0.066 0.000 0.244) 0.253 28.456 ( 0.115 -0.000 -0.287) 0.310 34.963 ( -2.972 0.000 -0.107) 2.974 35.025 ( -3.637 0.000 -0.048) 3.638 36.137 ( 6.186 0.000 1.520) 6.370 36.244 ( 6.839 0.000 -0.036) 6.839 38.392 ( 3.636 0.000 0.290) 3.647 38.558 ( 3.300 0.000 -7.423) 8.123 38.843 ( 10.305 0.000 4.775) 11.358 38.901 ( 13.304 0.000 0.187) 13.305 40.155 ( -0.034 -0.000 -3.293) 3.293 40.174 ( 0.192 0.000 4.785) 4.789 40.538 ( -11.771 0.000 -2.621) 12.059 40.706 ( -13.944 0.000 1.779) 14.057 ======================= Grid point 154 (67/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.598 0.000 -17.397) 17.407 0.772 ( 0.598 0.000 17.397) 17.407 0.989 ( -2.780 0.000 -20.943) 21.126 0.989 ( 2.780 0.000 20.943) 21.126 1.425 ( -1.409 0.000 -3.749) 4.005 1.425 ( 1.409 0.000 3.749) 4.005 1.634 ( 5.217 0.000 -4.682) 7.010 1.634 ( -5.217 0.000 4.682) 7.010 1.927 ( -21.097 0.000 -30.821) 37.350 1.927 ( 21.097 0.000 30.821) 37.350 2.342 ( -1.848 0.000 -4.535) 4.897 2.342 ( 1.848 0.000 4.535) 4.897 2.671 ( -0.907 0.000 -3.042) 3.174 2.671 ( 0.907 0.000 3.042) 3.174 2.918 ( -2.580 0.000 -1.249) 2.866 2.918 ( 2.580 0.000 1.249) 2.866 3.022 ( 1.245 0.000 -7.193) 7.300 3.022 ( -1.245 0.000 7.193) 7.300 3.450 ( -3.757 0.000 -0.966) 3.879 3.450 ( 3.757 0.000 0.966) 3.879 3.559 ( -2.626 0.000 -0.433) 2.662 3.559 ( 2.626 0.000 0.433) 2.662 3.996 ( -3.888 0.000 -3.282) 5.088 3.996 ( 3.888 0.000 3.282) 5.088 4.137 ( -0.335 0.000 -0.429) 0.544 4.137 ( 0.335 0.000 0.429) 0.544 4.420 ( 1.126 0.000 -7.030) 7.120 4.420 ( -1.126 0.000 7.030) 7.120 4.520 ( -7.016 0.000 -1.487) 7.172 4.520 ( 7.016 0.000 1.487) 7.172 4.881 ( -3.761 0.000 -2.172) 4.343 4.881 ( 3.761 0.000 2.172) 4.343 5.124 ( 0.428 0.000 -5.164) 5.182 5.124 ( -0.428 0.000 5.164) 5.182 5.756 ( -5.205 0.000 -2.961) 5.988 5.756 ( 5.205 0.000 2.961) 5.988 5.936 ( 5.055 0.000 -2.619) 5.693 5.936 ( -5.055 0.000 2.619) 5.693 6.510 ( -1.555 0.000 -4.813) 5.058 6.510 ( 1.555 0.000 4.813) 5.058 6.724 ( -3.446 0.000 1.092) 3.614 6.724 ( 3.446 0.000 -1.092) 3.614 7.098 ( -4.673 0.000 -4.846) 6.732 7.098 ( 4.673 0.000 4.846) 6.732 7.923 ( -1.273 0.000 -5.526) 5.671 7.923 ( 1.273 0.000 5.526) 5.671 8.862 ( -12.862 0.000 1.045) 12.904 8.862 ( 12.862 0.000 -1.045) 12.904 10.067 ( 0.624 0.000 -0.217) 0.661 10.067 ( -0.624 0.000 0.217) 0.661 10.184 ( 1.026 0.000 -1.551) 1.860 10.184 ( -1.026 0.000 1.551) 1.860 11.662 ( -4.080 0.000 -1.108) 4.227 11.662 ( 4.080 0.000 1.108) 4.227 11.828 ( 11.368 0.000 -4.721) 12.310 11.828 ( -11.368 0.000 4.721) 12.310 12.598 ( -1.735 0.000 -0.564) 1.824 12.598 ( 1.735 0.000 0.564) 1.824 12.846 ( 0.177 0.000 -0.496) 0.526 12.846 ( -0.177 0.000 0.496) 0.526 13.498 ( -9.065 0.000 -4.616) 10.172 13.498 ( 9.065 0.000 4.616) 10.172 14.336 ( -2.173 0.000 -5.478) 5.894 14.336 ( 2.173 0.000 5.478) 5.894 14.451 ( -3.309 0.000 1.035) 3.467 14.451 ( 3.309 0.000 -1.035) 3.467 17.510 ( -1.052 0.000 -3.300) 3.464 17.510 ( 1.052 0.000 3.300) 3.464 17.729 ( -0.528 0.000 -0.685) 0.865 17.729 ( 0.528 0.000 0.685) 0.865 19.593 ( 0.565 0.000 -0.987) 1.138 19.593 ( -0.565 0.000 0.987) 1.138 19.748 ( -1.349 0.000 -0.342) 1.392 19.748 ( 1.349 0.000 0.342) 1.392 19.888 ( -0.438 0.000 0.021) 0.439 19.888 ( 0.438 0.000 -0.021) 0.439 20.110 ( -0.465 0.000 -0.312) 0.560 20.110 ( 0.465 0.000 0.312) 0.560 20.364 ( -6.049 0.000 -0.297) 6.056 20.364 ( 6.049 0.000 0.297) 6.056 21.252 ( -5.698 0.000 -0.795) 5.754 21.252 ( 5.698 0.000 0.795) 5.754 21.395 ( 0.344 0.000 -0.621) 0.710 21.395 ( -0.344 0.000 0.621) 0.710 27.425 ( -1.725 0.000 0.224) 1.739 27.425 ( 1.725 0.000 -0.224) 1.739 27.503 ( -0.758 0.000 -0.427) 0.870 27.503 ( 0.758 0.000 0.427) 0.870 28.371 ( -0.593 0.000 -0.201) 0.626 28.371 ( 0.593 0.000 0.201) 0.626 34.299 ( -0.179 0.000 -0.133) 0.223 34.299 ( 0.179 0.000 0.133) 0.223 35.402 ( -8.696 0.000 -1.994) 8.921 35.402 ( 8.696 0.000 1.994) 8.921 37.370 ( -0.203 0.000 -4.665) 4.669 37.370 ( 0.203 0.000 4.665) 4.669 39.303 ( 11.065 0.000 -7.826) 13.553 39.303 ( -11.065 0.000 7.826) 13.553 40.092 ( -6.189 0.000 -0.037) 6.189 40.092 ( 6.189 0.000 0.037) 6.189 41.370 ( -37.671 0.000 -2.212) 37.736 41.370 ( 37.671 0.000 2.212) 37.736 ======================= Grid point 156 (68/90) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -7.663 0.000 -21.766) 23.075 0.902 ( 9.862 0.000 14.800) 17.785 0.984 ( 4.734 0.000 -19.775) 20.334 1.212 ( 16.334 0.000 18.481) 24.664 1.467 ( 5.607 0.000 -3.881) 6.819 1.512 ( 6.260 0.000 -5.492) 8.328 1.562 ( -8.620 0.000 -18.410) 20.328 1.574 ( -1.133 0.000 6.211) 6.313 1.747 ( 4.367 0.000 -1.364) 4.575 2.139 ( -6.420 0.000 -13.773) 15.196 2.350 ( -1.098 0.000 -0.251) 1.126 2.485 ( 17.132 0.000 20.702) 26.871 2.636 ( -2.117 0.000 0.080) 2.119 2.716 ( 4.160 0.000 5.602) 6.977 2.843 ( -5.920 0.000 3.287) 6.771 2.889 ( -5.717 0.000 -5.372) 7.844 3.044 ( 3.385 0.000 6.654) 7.465 3.109 ( 6.411 0.000 0.503) 6.431 3.372 ( -1.531 0.000 3.317) 3.653 3.458 ( -0.615 0.000 3.610) 3.662 3.510 ( -3.695 0.000 1.002) 3.828 3.664 ( 5.080 0.000 0.120) 5.082 3.947 ( -0.588 0.000 -3.827) 3.872 4.101 ( 4.901 0.000 2.748) 5.619 4.132 ( -1.776 0.000 0.010) 1.776 4.178 ( 3.090 0.000 -0.008) 3.090 4.361 ( -1.973 0.000 1.817) 2.682 4.370 ( -3.840 0.000 -9.376) 10.132 4.468 ( 1.665 0.000 -0.771) 1.835 4.639 ( 2.818 0.000 -1.096) 3.024 4.839 ( 1.919 0.000 -1.102) 2.213 4.889 ( -2.491 0.000 -1.899) 3.132 5.203 ( 5.300 0.000 6.279) 8.217 5.235 ( 8.397 0.000 -1.675) 8.562 5.555 ( -11.593 0.000 7.292) 13.696 5.779 ( -1.242 0.000 3.894) 4.087 5.920 ( 1.508 0.000 -1.517) 2.139 6.054 ( 2.986 0.000 2.034) 3.613 6.461 ( -2.801 0.000 -3.470) 4.459 6.522 ( -1.015 0.000 3.286) 3.439 6.687 ( -0.138 0.000 3.268) 3.270 6.777 ( -0.466 0.000 -1.409) 1.484 6.974 ( -5.323 0.000 -5.698) 7.797 7.171 ( 2.741 0.000 3.934) 4.795 7.889 ( -1.335 0.000 -5.992) 6.139 7.973 ( 3.988 0.000 6.399) 7.540 8.547 ( -14.360 0.000 -8.785) 16.834 9.006 ( 1.174 0.000 -5.199) 5.330 10.019 ( -3.390 0.000 3.642) 4.975 10.040 ( -2.981 0.000 -2.090) 3.640 10.162 ( -0.459 0.000 0.026) 0.460 10.169 ( -1.668 0.000 0.372) 1.709 11.404 ( -13.245 0.000 -5.337) 14.279 11.675 ( -2.037 0.000 0.037) 2.037 11.688 ( -2.211 0.000 -1.688) 2.781 11.849 ( -6.217 0.000 -4.327) 7.575 12.543 ( -1.950 0.000 -1.864) 2.698 12.572 ( -1.889 0.000 1.237) 2.258 12.974 ( 7.401 0.000 4.743) 8.790 13.034 ( 11.629 0.000 -9.423) 14.968 13.416 ( 1.645 0.000 -0.305) 1.673 13.703 ( 6.980 0.000 8.660) 11.122 14.300 ( -0.693 0.000 -5.261) 5.306 14.388 ( -0.144 0.000 5.600) 5.602 14.405 ( 0.804 0.000 1.438) 1.648 14.529 ( 3.711 0.000 1.173) 3.891 17.495 ( -0.040 0.000 -2.736) 2.736 17.544 ( 1.778 0.000 3.141) 3.610 17.695 ( -2.408 0.000 -0.663) 2.498 17.726 ( -0.491 0.000 0.532) 0.724 19.581 ( -0.409 0.000 0.543) 0.680 19.591 ( -0.453 0.000 -1.461) 1.529 19.742 ( 0.564 0.000 -0.438) 0.714 19.769 ( 0.164 0.000 1.301) 1.311 19.910 ( 1.684 0.000 0.867) 1.894 19.951 ( 4.340 0.000 -2.621) 5.070 20.123 ( 2.342 0.000 -0.730) 2.453 20.124 ( 0.704 0.000 0.111) 0.713 20.252 ( -4.243 0.000 2.901) 5.139 20.452 ( 1.423 0.000 4.562) 4.779 21.166 ( -2.051 0.000 1.836) 2.753 21.296 ( -1.102 0.000 2.203) 2.463 21.424 ( 2.023 0.000 0.973) 2.245 21.491 ( 5.753 0.000 2.141) 6.138 27.402 ( -0.297 0.000 -0.223) 0.371 27.455 ( 0.746 0.000 -0.631) 0.977 27.495 ( 0.350 0.000 -0.661) 0.748 27.517 ( 0.493 0.000 0.332) 0.595 28.364 ( 0.037 0.000 -0.025) 0.045 28.379 ( 0.095 0.000 0.248) 0.266 34.325 ( 2.650 0.000 0.282) 2.665 34.332 ( 2.905 0.000 -0.202) 2.912 35.208 ( -8.956 0.000 3.698) 9.689 35.470 ( -4.599 0.000 1.844) 4.955 37.346 ( -1.463 0.000 -4.455) 4.690 37.366 ( -0.909 0.000 4.278) 4.373 38.571 ( -42.096 0.000 -18.582) 46.015 39.197 ( -16.534 0.000 -6.876) 17.907 39.744 ( -8.055 0.000 4.101) 9.039 39.919 ( -8.100 0.000 -3.092) 8.670 41.469 ( 26.787 0.000 -7.116) 27.716 42.311 ( 32.610 0.000 -19.382) 37.935 ======================= Grid point 157 (69/90) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 13.185 0.000 -5.675) 14.355 1.107 ( 10.540 0.000 -0.235) 10.543 1.175 ( 11.036 0.000 -3.825) 11.680 1.398 ( -0.881 0.000 -2.945) 3.074 1.545 ( 1.179 0.000 4.602) 4.750 1.612 ( 8.016 0.000 12.059) 14.480 1.659 ( 8.880 0.000 -2.022) 9.108 1.664 ( 5.781 0.000 4.023) 7.043 1.816 ( 7.498 0.000 -9.995) 12.495 1.910 ( -12.398 0.000 -19.414) 23.035 2.320 ( -0.809 0.000 -3.563) 3.653 2.582 ( -6.329 0.000 0.643) 6.362 2.680 ( -9.237 0.000 -7.484) 11.888 2.701 ( 4.092 0.000 0.205) 4.097 2.710 ( -2.214 0.000 12.048) 12.250 3.011 ( 17.095 0.000 11.474) 20.589 3.140 ( -6.198 0.000 -3.376) 7.058 3.194 ( 9.840 0.000 4.877) 10.983 3.391 ( 2.006 0.000 5.355) 5.718 3.430 ( -1.820 0.000 -0.115) 1.824 3.476 ( 1.983 0.000 2.279) 3.021 3.726 ( 1.069 0.000 -5.524) 5.627 3.980 ( 4.462 0.000 -1.721) 4.783 4.017 ( -9.277 0.000 0.025) 9.277 4.169 ( 0.401 0.000 1.700) 1.746 4.233 ( 3.390 0.000 0.399) 3.414 4.330 ( -0.600 0.000 -2.343) 2.418 4.388 ( 3.696 0.000 3.552) 5.126 4.520 ( 2.001 0.000 -3.125) 3.711 4.644 ( -1.333 0.000 -1.382) 1.920 4.819 ( -3.299 0.000 -1.403) 3.585 4.913 ( 2.399 0.000 -0.706) 2.500 5.257 ( -1.734 0.000 7.500) 7.698 5.385 ( 5.339 0.000 -4.560) 7.021 5.410 ( -0.153 0.000 11.650) 11.651 5.731 ( -3.938 0.000 2.176) 4.500 5.952 ( 1.630 0.000 -3.503) 3.863 6.056 ( -1.305 0.000 -1.831) 2.249 6.389 ( -3.419 0.000 -0.847) 3.523 6.479 ( -3.439 0.000 1.839) 3.899 6.685 ( -1.636 0.000 5.336) 5.581 6.700 ( -4.372 0.000 -5.369) 6.923 6.942 ( 3.481 0.000 -5.669) 6.652 7.197 ( -1.621 0.000 3.508) 3.864 7.872 ( 1.054 0.000 -7.253) 7.329 8.130 ( 9.718 0.000 5.925) 11.381 8.307 ( -8.203 0.000 -3.183) 8.799 8.922 ( -8.002 0.000 -3.863) 8.886 9.970 ( -1.544 0.000 3.454) 3.784 9.973 ( -2.260 0.000 -3.271) 3.976 10.147 ( -0.639 0.000 1.665) 1.783 10.159 ( -0.115 0.000 -1.253) 1.258 11.252 ( -2.017 0.000 -0.374) 2.051 11.565 ( -7.737 0.000 -3.479) 8.483 11.658 ( -0.779 0.000 -0.288) 0.830 11.735 ( -3.539 0.000 -0.335) 3.555 12.517 ( -0.374 0.000 -3.560) 3.580 12.546 ( -1.099 0.000 3.868) 4.021 13.111 ( 5.032 0.000 7.726) 9.220 13.180 ( 4.495 0.000 -14.615) 15.290 13.512 ( 5.879 0.000 0.754) 5.927 13.767 ( -0.791 0.000 5.727) 5.782 14.292 ( 0.382 0.000 -5.303) 5.317 14.353 ( -1.968 0.000 3.340) 3.877 14.467 ( 3.147 0.000 3.366) 4.607 14.583 ( 1.063 0.000 1.253) 1.644 17.503 ( 1.000 0.000 -1.707) 1.978 17.585 ( 1.640 0.000 2.018) 2.601 17.643 ( -2.148 0.000 -0.122) 2.152 17.714 ( -0.795 0.000 0.345) 0.867 19.578 ( -0.012 0.000 0.745) 0.745 19.581 ( -0.332 0.000 -1.372) 1.412 19.756 ( 0.728 0.000 -1.094) 1.314 19.770 ( -0.049 0.000 2.343) 2.344 19.945 ( 1.564 0.000 1.432) 2.121 19.999 ( 0.823 0.000 -2.708) 2.831 20.136 ( 0.375 0.000 -0.300) 0.480 20.170 ( -0.716 0.000 1.276) 1.463 20.230 ( 3.790 0.000 -2.555) 4.571 20.442 ( -2.283 0.000 5.246) 5.722 21.155 ( 0.405 0.000 1.751) 1.798 21.262 ( -2.073 0.000 0.876) 2.250 21.466 ( 1.736 0.000 1.672) 2.410 21.544 ( -0.123 0.000 -0.818) 0.827 27.407 ( 0.573 0.000 0.089) 0.580 27.453 ( -0.590 0.000 -0.119) 0.602 27.511 ( 0.929 0.000 -1.116) 1.452 27.523 ( 0.136 0.000 0.218) 0.257 28.368 ( 0.230 0.000 0.008) 0.231 28.377 ( -0.276 0.000 0.385) 0.474 34.404 ( 4.603 0.000 1.270) 4.775 34.411 ( 4.509 0.000 -0.979) 4.614 35.054 ( -6.325 0.000 5.528) 8.401 35.259 ( -12.182 0.000 -7.147) 14.124 37.320 ( -0.325 0.000 -3.304) 3.320 37.347 ( -1.178 0.000 3.469) 3.664 38.096 ( -6.061 0.000 -1.590) 6.266 38.770 ( -20.817 0.000 -7.816) 22.236 39.694 ( 0.157 0.000 8.567) 8.568 39.829 ( -1.887 0.000 -8.265) 8.477 42.001 ( 22.589 0.000 -4.394) 23.012 42.627 ( 3.830 0.000 -8.054) 8.918 ======================= Grid point 158 (70/90) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 19.090 0.000 6.966) 20.322 1.294 ( -0.495 0.000 -1.526) 1.604 1.362 ( 12.614 0.000 0.341) 12.618 1.401 ( 1.973 0.000 4.065) 4.518 1.553 ( -7.674 0.000 -9.392) 12.129 1.595 ( -8.369 0.000 3.411) 9.037 1.646 ( -1.616 0.000 -7.532) 7.703 1.693 ( -1.145 0.000 3.920) 4.084 1.863 ( 8.982 0.000 -2.516) 9.327 1.984 ( 0.511 0.000 -2.427) 2.480 2.353 ( 4.046 0.000 2.828) 4.936 2.485 ( -8.115 0.000 -7.224) 10.864 2.513 ( 6.136 0.000 7.003) 9.310 2.723 ( -4.001 0.000 -6.118) 7.310 2.764 ( 3.274 0.000 8.612) 9.214 2.886 ( -12.144 0.000 -5.818) 13.465 3.314 ( 6.889 0.000 1.239) 7.000 3.353 ( 2.028 0.000 2.659) 3.344 3.477 ( 10.429 0.000 -0.909) 10.469 3.493 ( 5.472 0.000 8.271) 9.918 3.559 ( 2.567 0.000 -2.542) 3.613 3.761 ( 4.275 0.000 -2.941) 5.189 3.770 ( -9.419 0.000 -2.600) 9.771 4.065 ( -13.394 0.000 -0.194) 13.396 4.107 ( 6.493 0.000 -0.713) 6.532 4.206 ( -3.362 0.000 -0.094) 3.363 4.402 ( 6.030 0.000 8.397) 10.337 4.489 ( 4.308 0.000 2.381) 4.923 4.511 ( -1.732 0.000 -5.181) 5.463 4.593 ( -3.581 0.000 -3.517) 5.020 4.779 ( 0.155 0.000 1.916) 1.922 4.848 ( -5.683 0.000 -3.092) 6.470 5.331 ( 6.541 0.000 11.047) 12.838 5.425 ( -0.833 0.000 -8.931) 8.969 5.487 ( 5.009 0.000 10.058) 11.236 5.621 ( -6.315 0.000 -3.995) 7.473 5.985 ( 2.079 0.000 -1.860) 2.790 6.027 ( -1.552 0.000 -1.947) 2.490 6.344 ( -0.332 0.000 0.148) 0.363 6.389 ( -4.375 0.000 0.168) 4.378 6.646 ( -0.332 0.000 -4.608) 4.620 6.654 ( -1.285 0.000 4.356) 4.541 7.037 ( 4.706 0.000 -2.497) 5.327 7.127 ( -4.445 0.000 2.367) 5.036 7.942 ( 6.570 0.000 -7.136) 9.700 8.103 ( -8.516 0.000 2.554) 8.890 8.417 ( 13.279 0.000 6.675) 14.862 8.698 ( -12.576 0.000 -4.395) 13.322 9.948 ( -0.081 0.000 -2.391) 2.392 9.953 ( -0.620 0.000 2.360) 2.440 10.143 ( 0.067 0.000 1.732) 1.733 10.151 ( -0.421 0.000 -1.631) 1.684 11.279 ( 3.779 0.000 4.234) 5.675 11.400 ( -7.058 0.000 -5.029) 8.667 11.655 ( 0.511 0.000 0.739) 0.898 11.681 ( -1.855 0.000 -0.886) 2.056 12.516 ( 0.671 0.000 -5.229) 5.272 12.529 ( -1.039 0.000 5.591) 5.687 13.196 ( 2.146 0.000 10.526) 10.742 13.220 ( 1.039 0.000 -13.529) 13.569 13.626 ( 4.996 0.000 -0.014) 4.996 13.717 ( -3.817 0.000 2.487) 4.556 14.301 ( 0.922 0.000 -5.136) 5.218 14.320 ( -1.493 0.000 4.266) 4.520 14.532 ( 2.693 0.000 2.169) 3.458 14.578 ( -1.398 0.000 -0.513) 1.489 17.532 ( 1.829 0.000 -0.584) 1.920 17.574 ( -2.125 0.000 -0.218) 2.136 17.649 ( 1.953 0.000 1.544) 2.490 17.689 ( -1.620 0.000 -0.516) 1.700 19.577 ( 0.051 0.000 -1.089) 1.091 19.578 ( -0.119 0.000 0.870) 0.878 19.767 ( 0.476 0.000 -1.965) 2.022 19.771 ( -0.162 0.000 2.499) 2.505 19.976 ( 1.200 0.000 1.742) 2.115 19.997 ( -0.580 0.000 -2.105) 2.183 20.141 ( 0.266 0.000 -0.766) 0.811 20.149 ( -0.773 0.000 1.424) 1.620 20.316 ( 4.089 0.000 -5.080) 6.521 20.387 ( -3.366 0.000 5.326) 6.301 21.178 ( 1.503 0.000 1.500) 2.123 21.218 ( -2.127 0.000 -0.695) 2.237 21.498 ( 1.197 0.000 2.227) 2.528 21.524 ( -1.140 0.000 -2.456) 2.708 27.422 ( 0.769 0.000 0.111) 0.777 27.438 ( -0.784 0.000 -0.036) 0.784 27.524 ( 0.343 0.000 -0.920) 0.982 27.525 ( 0.019 0.000 0.526) 0.527 28.371 ( 0.061 0.000 -0.285) 0.292 28.372 ( -0.164 0.000 0.421) 0.452 34.493 ( 2.851 0.000 2.159) 3.576 34.494 ( 2.846 0.000 -1.915) 3.430 34.972 ( -1.379 0.000 6.130) 6.283 35.040 ( -7.229 0.000 -7.492) 10.411 37.320 ( 0.407 0.000 -2.837) 2.866 37.329 ( -0.830 0.000 2.931) 3.046 38.136 ( 7.275 0.000 10.396) 12.689 38.382 ( -15.057 0.000 -11.354) 18.859 39.731 ( 1.996 0.000 9.933) 10.131 39.784 ( -1.876 0.000 -9.912) 10.088 42.370 ( 13.837 0.000 -3.936) 14.386 42.579 ( -6.717 0.000 0.900) 6.777 ======================= Grid point 162 (71/90) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -1.185 7.841 -18.502) 20.130 0.836 ( 1.185 7.841 18.502) 20.130 1.233 ( -6.910 17.174 -15.435) 24.102 1.233 ( 6.910 17.174 15.435) 24.102 1.472 ( -2.333 3.593 -4.172) 5.980 1.472 ( 2.333 3.593 4.172) 5.980 1.706 ( 1.573 7.130 -3.068) 7.920 1.706 ( -1.573 7.130 3.068) 7.920 2.043 ( -14.760 11.226 -24.293) 30.562 2.043 ( 14.760 11.226 24.293) 30.562 2.401 ( -5.487 7.755 -12.579) 15.763 2.401 ( 5.487 7.755 12.579) 15.763 2.692 ( 0.190 1.801 -3.140) 3.625 2.692 ( -0.190 1.801 3.140) 3.625 2.943 ( -5.785 2.700 -2.116) 6.725 2.943 ( 5.785 2.700 2.116) 6.725 3.049 ( 1.960 2.510 -8.711) 9.275 3.049 ( -1.960 2.510 8.711) 9.275 3.406 ( 2.175 -1.405 -1.680) 3.086 3.406 ( -2.175 -1.405 1.680) 3.086 3.597 ( -2.607 2.631 -2.077) 4.246 3.597 ( 2.607 2.631 2.077) 4.246 3.967 ( -4.015 -1.796 -3.746) 5.778 3.967 ( 4.015 -1.796 3.746) 5.778 4.137 ( 0.769 0.686 -1.642) 1.938 4.137 ( -0.769 0.686 1.642) 1.938 4.462 ( -6.198 -1.875 0.377) 6.487 4.462 ( 6.198 -1.875 -0.377) 6.487 4.541 ( 0.954 6.120 -2.149) 6.556 4.541 ( -0.954 6.120 2.149) 6.556 4.919 ( -2.678 1.299 -0.451) 3.010 4.919 ( 2.678 1.299 0.451) 3.010 5.151 ( -4.109 3.436 -3.116) 6.197 5.151 ( 4.109 3.436 3.116) 6.197 5.592 ( -0.074 -8.923 -3.837) 9.713 5.592 ( 0.074 -8.923 3.837) 9.713 5.977 ( 1.520 -0.498 -2.469) 2.942 5.977 ( -1.520 -0.498 2.469) 2.942 6.490 ( -2.592 -2.902 -4.215) 5.736 6.490 ( 2.592 -2.902 4.215) 5.736 6.796 ( -1.129 3.280 -5.325) 6.355 6.796 ( 1.129 3.280 5.325) 6.355 7.065 ( -4.061 -2.496 -1.674) 5.052 7.065 ( 4.061 -2.496 1.674) 5.052 7.927 ( -2.141 1.629 -6.277) 6.829 7.927 ( 2.141 1.629 6.277) 6.829 8.810 ( -8.905 -3.291 -5.672) 11.059 8.810 ( 8.905 -3.291 5.672) 11.059 10.013 ( 0.404 -2.903 -3.347) 4.449 10.013 ( -0.404 -2.903 3.347) 4.449 10.211 ( 0.763 0.950 -2.899) 3.144 10.211 ( -0.763 0.950 2.899) 3.144 11.528 ( -4.474 -6.490 -3.090) 8.467 11.528 ( 4.474 -6.490 3.090) 8.467 11.959 ( 2.167 6.208 -9.019) 11.161 11.959 ( -2.167 6.208 9.019) 11.161 12.563 ( -1.421 -0.613 0.018) 1.548 12.563 ( 1.421 -0.613 -0.018) 1.548 12.989 ( -7.609 9.304 -3.259) 12.453 12.989 ( 7.609 9.304 3.259) 12.453 13.432 ( -7.774 -5.613 -3.859) 10.336 13.432 ( 7.774 -5.613 3.859) 10.336 14.287 ( -2.085 -4.230 -4.116) 6.260 14.287 ( 2.085 -4.230 4.116) 6.260 14.449 ( -1.361 -0.844 -1.879) 2.469 14.449 ( 1.361 -0.844 1.879) 2.469 17.503 ( -1.015 -0.763 -2.790) 3.065 17.503 ( 1.015 -0.763 2.790) 3.065 17.731 ( -2.527 0.260 -0.701) 2.636 17.731 ( 2.527 0.260 0.701) 2.636 19.614 ( -0.352 1.210 -1.324) 1.828 19.614 ( 0.352 1.210 1.324) 1.828 19.710 ( -1.688 -3.417 -0.705) 3.876 19.710 ( 1.688 -3.417 0.705) 3.876 19.900 ( -1.553 1.183 -0.469) 2.007 19.900 ( 1.553 1.183 0.469) 2.007 20.081 ( -0.633 -2.658 -0.412) 2.763 20.081 ( 0.633 -2.658 0.412) 2.763 20.331 ( -4.952 -2.436 0.595) 5.551 20.331 ( 4.952 -2.436 -0.595) 5.551 21.241 ( -1.608 -1.218 -3.232) 3.810 21.241 ( 1.608 -1.218 3.232) 3.810 21.406 ( -0.702 0.986 -0.243) 1.234 21.406 ( 0.702 0.986 0.243) 1.234 27.425 ( -0.865 0.097 -0.340) 0.935 27.425 ( 0.865 0.097 0.340) 0.935 27.516 ( -0.458 1.025 -0.453) 1.210 27.516 ( 0.458 1.025 0.453) 1.210 28.382 ( -0.619 1.030 -0.281) 1.234 28.382 ( 0.619 1.030 0.281) 1.234 34.359 ( -0.312 5.958 -0.236) 5.970 34.359 ( 0.312 5.958 0.236) 5.970 35.573 ( -5.711 13.738 -19.143) 24.245 35.573 ( 5.711 13.738 19.143) 24.245 37.602 ( -2.097 20.055 -5.463) 20.891 37.602 ( 2.097 20.055 5.463) 20.891 39.266 ( 11.499 -3.699 -5.343) 13.208 39.266 ( -11.499 -3.699 5.343) 13.208 40.034 ( -9.026 -4.460 0.110) 10.068 40.034 ( 9.026 -4.460 -0.110) 10.068 41.264 ( -26.827 -9.373 -5.697) 28.983 41.264 ( 26.827 -9.373 5.697) 28.983 ======================= Grid point 164 (72/90) ======================= q-point: ( 0.14 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.042 12.992 -15.864) 20.505 0.956 ( 7.467 5.802 13.278) 16.301 1.082 ( -0.806 10.784 -21.158) 23.761 1.400 ( 7.796 8.330 5.933) 12.860 1.493 ( 5.414 6.609 -0.192) 8.546 1.541 ( 1.967 2.897 4.495) 5.698 1.614 ( -3.496 3.218 -2.484) 5.362 1.779 ( 4.202 14.290 3.993) 15.421 1.878 ( 0.954 16.227 -12.844) 20.717 2.208 ( -4.453 8.366 -10.670) 14.272 2.370 ( 4.380 2.847 6.405) 8.265 2.531 ( 2.556 5.179 4.994) 7.635 2.680 ( -1.603 0.779 -0.668) 1.903 2.777 ( 11.424 7.889 14.010) 19.724 2.833 ( -5.350 1.278 -2.088) 5.883 2.963 ( -4.206 4.404 -0.034) 6.090 2.991 ( -1.688 -0.997 4.283) 4.710 3.157 ( 7.007 3.031 -0.540) 7.654 3.328 ( -2.381 -3.079 2.575) 4.667 3.453 ( -0.363 0.259 -1.550) 1.613 3.526 ( -0.004 3.924 3.547) 5.289 3.680 ( 1.353 0.425 -2.164) 2.588 3.908 ( -0.996 -2.860 -2.890) 4.186 4.038 ( 0.946 -2.393 0.979) 2.754 4.121 ( -2.679 -3.978 0.147) 4.798 4.175 ( 3.926 1.977 0.476) 4.422 4.360 ( -2.370 0.363 -0.684) 2.493 4.522 ( 0.565 7.704 -0.753) 7.761 4.545 ( -0.162 7.204 -2.638) 7.673 4.567 ( 3.123 -4.157 -0.588) 5.232 4.874 ( -1.136 -0.100 -1.734) 2.075 4.950 ( 0.493 7.190 0.230) 7.211 5.146 ( 4.815 -4.765 3.706) 7.722 5.297 ( 5.286 3.706 1.977) 6.752 5.505 ( -4.046 -1.852 2.831) 5.274 5.651 ( 1.576 -9.068 1.103) 9.270 5.906 ( -0.958 -0.791 0.326) 1.284 6.067 ( 2.679 -0.736 -0.664) 2.857 6.414 ( -4.124 -4.534 -2.741) 6.714 6.517 ( -0.773 -1.527 4.162) 4.500 6.690 ( -5.098 0.969 -1.610) 5.433 6.814 ( -2.105 -3.569 -3.223) 5.249 6.953 ( -5.811 0.750 3.663) 6.910 7.157 ( 3.750 -2.165 0.865) 4.416 7.896 ( -0.433 1.159 -5.918) 6.046 8.018 ( 6.170 5.264 6.907) 10.653 8.558 ( -11.373 1.796 -8.350) 14.223 8.942 ( 1.786 -4.649 -0.383) 4.995 9.991 ( -1.688 -1.520 3.806) 4.432 9.999 ( -1.330 -2.174 -3.298) 4.168 10.190 ( -1.411 1.116 1.606) 2.412 10.204 ( -0.875 1.816 -1.026) 2.262 11.363 ( -7.716 -1.905 -4.005) 8.900 11.567 ( -0.773 -4.503 -0.494) 4.595 11.838 ( -4.117 7.967 0.887) 9.012 11.986 ( -4.780 9.044 -3.809) 10.916 12.537 ( -0.901 0.840 -0.600) 1.371 12.597 ( -0.016 0.037 -0.088) 0.097 12.866 ( 3.032 -1.209 0.320) 3.280 13.192 ( 6.347 7.347 -4.542) 10.719 13.364 ( 1.341 -4.234 -0.324) 4.454 13.634 ( 7.929 -6.942 6.755) 12.517 14.250 ( -0.991 -4.182 -3.718) 5.683 14.331 ( 0.941 -5.147 4.065) 6.625 14.405 ( -0.931 -0.600 0.245) 1.135 14.502 ( 2.286 -2.620 1.228) 3.687 17.475 ( -0.697 -1.557 -1.019) 1.987 17.554 ( 2.829 -0.138 1.206) 3.078 17.655 ( -3.440 -0.908 0.029) 3.558 17.782 ( 1.279 2.875 -0.076) 3.148 19.594 ( -0.722 0.270 -1.547) 1.728 19.603 ( -1.013 1.169 0.223) 1.562 19.698 ( 0.345 -3.969 0.108) 3.985 19.759 ( 1.091 -1.268 0.695) 1.811 19.895 ( 1.628 -1.113 0.151) 1.978 19.956 ( 3.027 0.710 -1.077) 3.290 20.078 ( 0.659 -3.829 -0.105) 3.886 20.096 ( 0.725 -2.644 0.099) 2.743 20.244 ( -2.991 -0.385 2.147) 3.702 20.411 ( 1.791 -3.400 2.831) 4.773 21.168 ( -2.423 -0.074 0.773) 2.544 21.263 ( -0.993 -2.650 1.067) 3.024 21.423 ( 1.871 0.107 0.632) 1.978 21.494 ( 4.812 -0.045 1.129) 4.943 27.412 ( -0.058 0.786 -0.242) 0.825 27.450 ( 0.988 -0.406 -0.430) 1.152 27.509 ( 0.001 1.296 -0.284) 1.327 27.526 ( 0.278 0.559 0.295) 0.691 28.371 ( -0.217 0.826 -0.244) 0.888 28.391 ( 0.097 1.024 0.283) 1.066 34.386 ( 2.923 5.713 0.087) 6.418 34.402 ( 3.546 6.900 0.291) 7.763 35.363 ( -10.234 13.439 -6.293) 18.026 35.618 ( -6.338 11.934 14.215) 19.613 37.532 ( -3.392 17.037 -2.523) 17.554 37.640 ( -0.514 22.729 7.060) 23.806 38.575 ( -40.144 0.620 -16.446) 43.386 39.160 ( -16.472 -3.635 -5.330) 17.690 39.757 ( -6.424 1.415 4.019) 7.709 39.932 ( -6.801 1.365 -3.569) 7.801 41.375 ( 24.891 -9.091 -6.366) 27.253 42.082 ( 32.184 -20.007 -10.749) 39.390 ======================= Grid point 165 (73/90) ======================= q-point: ( 0.29 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 10.003 17.282 -5.548) 20.724 1.131 ( 9.963 4.006 -0.980) 10.783 1.218 ( 9.447 6.024 -0.709) 11.227 1.487 ( -2.126 4.379 -2.523) 5.482 1.544 ( 5.190 -0.297 0.711) 5.247 1.641 ( 1.715 -0.580 3.844) 4.250 1.677 ( 9.691 4.968 2.848) 11.257 1.847 ( -3.801 6.451 -7.854) 10.851 1.928 ( 5.790 18.517 2.290) 19.536 2.113 ( -0.422 20.534 -13.175) 24.401 2.423 ( 0.635 8.728 0.797) 8.787 2.549 ( -2.146 -6.789 5.696) 9.118 2.613 ( -4.003 2.879 -1.401) 5.125 2.709 ( -1.803 1.675 -4.982) 5.557 2.852 ( -4.166 6.166 5.354) 9.167 2.991 ( 5.045 -3.892 -0.782) 6.420 3.101 ( 5.586 3.588 10.521) 12.441 3.226 ( 0.832 1.895 1.677) 2.664 3.339 ( 2.666 -3.978 2.067) 5.216 3.402 ( -2.054 -0.742 -0.996) 2.400 3.601 ( 3.970 7.309 3.691) 9.099 3.677 ( 1.585 -2.719 -3.793) 4.929 3.914 ( 2.144 -5.491 -2.423) 6.373 3.941 ( -9.353 -4.300 -2.045) 10.496 4.090 ( -0.181 -5.790 1.762) 6.055 4.241 ( 1.815 0.974 -2.078) 2.926 4.377 ( 2.401 1.931 0.634) 3.146 4.522 ( -2.190 -3.157 -3.134) 4.959 4.556 ( 1.891 13.601 1.520) 13.816 4.628 ( 3.431 1.140 1.121) 3.785 4.820 ( -2.699 0.876 -1.720) 3.319 5.016 ( 2.594 8.316 1.053) 8.775 5.255 ( 2.613 -2.140 6.001) 6.886 5.280 ( -1.801 -6.404 4.555) 8.062 5.519 ( 3.581 7.134 -1.328) 8.092 5.659 ( -0.563 -5.237 1.963) 5.621 5.921 ( 1.543 -1.510 -2.293) 3.150 6.080 ( -0.881 1.315 -1.516) 2.192 6.326 ( -3.748 -5.814 -1.094) 7.003 6.463 ( -4.653 -0.848 3.571) 5.926 6.576 ( -4.763 -5.012 -2.354) 7.304 6.791 ( -7.087 -6.356 -1.253) 9.601 6.848 ( 4.053 1.363 0.294) 4.286 7.210 ( 0.620 -1.315 0.319) 1.488 7.898 ( 1.736 2.590 -6.299) 7.028 8.182 ( 6.940 4.623 3.360) 8.990 8.370 ( -4.938 6.292 -0.429) 8.010 8.893 ( -5.887 -1.909 -1.825) 6.452 9.963 ( -1.181 -0.458 0.353) 1.315 9.969 ( -0.929 0.015 -0.653) 1.136 10.159 ( -1.046 0.763 0.468) 1.377 10.191 ( -0.641 2.180 0.216) 2.282 11.269 ( -1.033 1.773 0.610) 2.141 11.516 ( -3.835 -1.967 -2.945) 5.220 11.770 ( -2.655 7.714 -0.718) 8.190 11.853 ( -5.820 9.952 -0.438) 11.537 12.524 ( -0.098 1.267 -1.535) 1.993 12.576 ( -1.335 2.180 1.445) 2.937 13.009 ( 7.844 -5.984 0.302) 9.871 13.258 ( 1.182 3.988 -6.036) 7.330 13.447 ( 5.518 -5.388 0.471) 7.726 13.716 ( -0.129 -5.432 5.205) 7.524 14.239 ( 0.279 -4.669 -3.567) 5.882 14.314 ( -2.047 -4.039 2.314) 5.086 14.431 ( 2.449 -3.356 1.778) 4.519 14.535 ( 0.526 -4.301 1.135) 4.479 17.472 ( 0.446 -2.301 -0.635) 2.428 17.579 ( -2.152 -3.946 0.045) 4.495 17.633 ( 2.727 3.637 0.999) 4.654 17.786 ( -0.756 4.513 -0.009) 4.576 19.581 ( -0.346 -0.158 -1.205) 1.263 19.594 ( -0.074 1.187 0.463) 1.276 19.707 ( 0.574 -4.152 0.022) 4.192 19.761 ( -0.452 -1.353 1.084) 1.791 19.936 ( 1.775 -1.016 0.860) 2.219 19.995 ( 0.688 -0.228 -2.048) 2.172 20.098 ( 0.570 -4.219 0.668) 4.309 20.114 ( 0.789 -4.257 -0.665) 4.381 20.227 ( 1.638 0.165 -0.851) 1.853 20.409 ( -1.893 -2.842 4.143) 5.369 21.145 ( -0.072 -0.929 1.026) 1.386 21.231 ( -1.892 -2.531 0.250) 3.169 21.465 ( 1.955 0.048 0.987) 2.191 21.548 ( 0.457 -0.061 -0.413) 0.619 27.419 ( 0.594 0.966 0.081) 1.137 27.458 ( -0.124 0.313 -0.366) 0.497 27.516 ( 0.557 0.712 -0.540) 1.053 27.529 ( -0.016 0.288 0.206) 0.354 28.372 ( 0.213 0.549 -0.230) 0.632 28.388 ( -0.325 0.995 0.402) 1.122 34.474 ( 5.191 6.441 0.356) 8.281 34.495 ( 5.014 7.826 0.240) 9.297 35.167 ( -7.936 10.583 -1.275) 13.289 35.380 ( -14.526 10.719 2.561) 18.233 37.470 ( -1.986 14.269 -3.189) 14.755 37.573 ( -5.373 19.785 3.617) 20.819 38.108 ( -5.585 1.257 -1.161) 5.841 38.747 ( -19.901 -2.203 -6.983) 21.206 39.718 ( 0.312 2.443 7.907) 8.281 39.852 ( -1.800 2.290 -7.880) 8.401 41.882 ( 21.983 -11.423 -4.122) 25.115 42.446 ( 6.519 -16.815 -4.990) 18.712 ======================= Grid point 166 (74/90) ======================= q-point: ( 0.43 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 12.413 8.102 -1.409) 14.890 1.316 ( -2.478 3.228 5.199) 6.602 1.372 ( 11.820 6.355 8.375) 15.819 1.491 ( 4.442 3.775 -1.696) 6.071 1.590 ( -4.011 1.550 -2.515) 4.982 1.641 ( -7.712 5.741 -6.929) 11.850 1.732 ( 6.111 3.770 -4.287) 8.363 1.856 ( 2.832 2.622 -0.516) 3.894 1.975 ( -0.109 20.748 4.110) 21.151 2.074 ( -4.654 11.167 -5.816) 13.423 2.453 ( 1.620 6.759 3.665) 7.857 2.525 ( 0.149 3.922 0.580) 3.967 2.565 ( 3.657 5.908 1.663) 7.145 2.729 ( -0.809 0.809 -4.504) 4.647 2.818 ( -0.198 5.567 4.375) 7.083 2.903 ( -9.600 2.023 -5.684) 11.338 3.230 ( 10.172 -10.091 3.515) 14.753 3.297 ( 2.803 -2.132 0.459) 3.551 3.381 ( 1.082 -3.778 1.390) 4.168 3.426 ( 3.207 -5.969 1.003) 6.850 3.591 ( -4.122 0.571 -1.091) 4.302 3.640 ( -10.422 -6.315 -0.254) 12.189 3.878 ( 8.416 3.584 1.135) 9.218 4.000 ( 1.921 -5.303 -1.538) 5.846 4.085 ( 2.197 -2.860 0.717) 3.677 4.218 ( -5.362 0.957 -2.514) 5.999 4.395 ( 1.014 1.906 0.870) 2.327 4.452 ( -3.511 -3.034 -2.876) 5.459 4.627 ( 4.149 10.545 6.948) 13.292 4.680 ( 0.459 7.394 -2.936) 7.969 4.805 ( 2.130 2.269 0.804) 3.215 4.925 ( -8.118 4.904 -2.559) 9.823 5.318 ( 4.122 -2.786 4.515) 6.718 5.339 ( 1.844 -6.378 3.196) 7.368 5.580 ( 2.934 6.690 -2.341) 7.671 5.636 ( -2.024 1.685 1.166) 2.880 5.956 ( 2.572 -2.040 -0.722) 3.361 6.032 ( -3.694 0.218 -2.313) 4.364 6.288 ( 0.793 -4.506 -0.890) 4.661 6.354 ( -5.218 -2.303 1.689) 5.948 6.536 ( 1.574 -5.953 -0.095) 6.158 6.629 ( -6.788 -5.120 -0.913) 8.552 7.004 ( 8.757 -1.125 -0.173) 8.830 7.161 ( -5.529 -0.281 0.360) 5.548 7.978 ( 6.679 3.075 -5.583) 9.232 8.135 ( -7.765 2.346 1.643) 8.277 8.484 ( 10.983 6.678 5.827) 14.113 8.717 ( -10.278 2.396 -3.482) 11.113 9.951 ( 0.030 0.312 -1.441) 1.475 9.956 ( -0.489 0.350 1.212) 1.353 10.154 ( 0.436 0.853 0.615) 1.138 10.172 ( -1.076 1.576 -0.311) 1.934 11.304 ( 3.659 2.409 4.616) 6.364 11.410 ( -5.485 1.170 -5.228) 7.667 11.739 ( -0.080 7.291 0.135) 7.292 11.767 ( -2.683 7.795 -0.334) 8.250 12.530 ( 0.886 1.593 -2.525) 3.114 12.551 ( -1.276 1.997 2.725) 3.611 13.150 ( 5.575 -3.321 1.282) 6.614 13.238 ( -2.524 0.383 -3.616) 4.426 13.567 ( 5.744 -5.233 -1.171) 7.858 13.670 ( -4.171 -4.733 3.191) 7.070 14.250 ( 1.055 -4.669 -3.342) 5.838 14.276 ( -1.733 -4.281 2.686) 5.343 14.485 ( 2.399 -4.464 1.011) 5.167 14.526 ( -1.358 -4.769 0.149) 4.961 17.491 ( 1.485 -2.928 -0.276) 3.295 17.530 ( -2.211 -3.354 0.072) 4.018 17.698 ( 3.082 4.154 0.575) 5.204 17.754 ( -2.192 4.701 -0.188) 5.190 19.581 ( 0.380 0.226 -0.630) 0.769 19.590 ( -0.444 0.906 0.382) 1.079 19.725 ( 1.100 -3.794 -0.108) 3.952 19.747 ( -0.989 -2.573 0.618) 2.825 19.968 ( 1.270 -0.708 1.333) 1.973 19.991 ( -0.667 -0.529 -1.705) 1.906 20.106 ( 0.324 -3.441 0.534) 3.497 20.114 ( -0.374 -3.553 -0.264) 3.582 20.288 ( 3.684 -1.813 -3.788) 5.586 20.357 ( -3.300 -2.391 4.386) 5.987 21.159 ( 1.159 -1.662 1.022) 2.269 21.191 ( -1.820 -2.185 -0.642) 2.915 21.503 ( 1.603 0.393 1.262) 2.077 21.534 ( -1.219 0.574 -1.360) 1.915 27.433 ( 0.760 0.973 0.222) 1.255 27.449 ( -0.674 0.869 -0.255) 1.129 27.525 ( 0.318 0.282 -0.616) 0.749 27.528 ( -0.065 0.211 0.416) 0.471 28.377 ( 0.228 0.645 -0.366) 0.776 28.382 ( -0.307 0.861 0.437) 1.013 34.578 ( 3.756 7.933 0.324) 8.783 34.586 ( 2.912 8.495 0.065) 8.981 35.053 ( -2.100 7.918 0.829) 8.233 35.124 ( -8.803 8.110 -1.492) 12.062 37.453 ( 0.637 12.750 -3.068) 13.129 37.487 ( -2.972 14.208 2.667) 14.758 38.150 ( 6.781 1.368 9.974) 12.138 38.379 ( -14.165 -0.261 -10.505) 17.638 39.756 ( 1.986 2.495 9.305) 9.836 39.807 ( -1.853 2.413 -9.349) 9.831 42.245 ( 13.539 -12.105 -3.467) 18.489 42.440 ( -5.520 -13.291 1.108) 14.434 ======================= Grid point 170 (75/90) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.932 13.481 -11.023) 17.438 1.060 ( 0.932 13.481 11.023) 17.438 1.449 ( -0.426 3.629 -4.080) 5.477 1.449 ( 0.426 3.629 4.080) 5.477 1.599 ( -4.804 9.043 -4.090) 11.026 1.599 ( 4.804 9.043 4.090) 11.026 1.867 ( -9.485 7.960 -11.341) 16.792 1.867 ( 9.485 7.960 11.341) 16.792 2.291 ( -6.582 11.971 -12.859) 18.761 2.291 ( 6.582 11.971 12.859) 18.761 2.681 ( -3.442 14.955 -10.359) 18.515 2.681 ( 3.442 14.955 10.359) 18.515 2.739 ( -3.267 4.710 -2.901) 6.424 2.739 ( 3.267 4.710 2.901) 6.424 3.018 ( -3.191 3.750 -4.113) 6.416 3.018 ( 3.191 3.750 4.113) 6.416 3.119 ( 2.750 6.117 -7.352) 9.951 3.119 ( -2.750 6.117 7.352) 9.951 3.496 ( 6.136 10.328 -6.916) 13.861 3.496 ( -6.136 10.328 6.916) 13.861 3.635 ( 1.379 1.182 -4.540) 4.890 3.635 ( -1.379 1.182 4.540) 4.890 3.952 ( -4.943 0.235 -2.886) 5.728 3.952 ( 4.943 0.235 2.886) 5.728 4.177 ( -4.612 3.774 -0.259) 5.965 4.177 ( 4.612 3.774 0.259) 5.965 4.395 ( -1.125 -3.516 -0.655) 3.750 4.395 ( 1.125 -3.516 0.655) 3.750 4.646 ( 1.997 2.529 -2.824) 4.285 4.646 ( -1.997 2.529 2.824) 4.285 4.867 ( -0.931 -6.750 -0.878) 6.871 4.867 ( 0.931 -6.750 0.878) 6.871 5.258 ( -4.394 5.679 -5.707) 9.172 5.258 ( 4.394 5.679 5.707) 9.172 5.510 ( -0.832 1.350 -4.543) 4.812 5.510 ( 0.832 1.350 4.543) 4.812 5.919 ( 4.235 -3.705 -3.628) 6.695 5.919 ( -4.235 -3.705 3.628) 6.695 6.389 ( -3.493 -6.854 -2.880) 8.214 6.389 ( 3.493 -6.854 2.880) 8.214 6.756 ( 1.822 -5.619 -7.379) 9.452 6.756 ( -1.822 -5.619 7.379) 9.452 7.021 ( 3.530 -2.432 -4.477) 6.199 7.021 ( -3.530 -2.432 4.477) 6.199 8.024 ( -4.502 7.612 -8.161) 12.033 8.024 ( 4.502 7.612 8.161) 12.033 8.779 ( -6.127 0.057 -5.562) 8.275 8.779 ( 6.127 0.057 5.562) 8.275 9.981 ( 0.318 -0.631 -3.562) 3.631 9.981 ( -0.318 -0.631 3.562) 3.631 10.204 ( -0.014 -1.584 -2.735) 3.161 10.204 ( 0.014 -1.584 2.735) 3.161 11.452 ( -3.066 -1.512 -2.720) 4.368 11.452 ( 3.066 -1.512 2.720) 4.368 12.036 ( -0.895 2.238 -5.695) 6.184 12.036 ( 0.895 2.238 5.695) 6.184 12.594 ( 1.267 3.104 -2.480) 4.170 12.594 ( -1.267 3.104 2.480) 4.170 13.093 ( -6.924 -0.648 -3.767) 7.909 13.093 ( 6.924 -0.648 3.767) 7.909 13.337 ( -3.358 -2.020 -3.513) 5.263 13.337 ( 3.358 -2.020 3.513) 5.263 14.186 ( -1.187 -5.534 -2.286) 6.104 14.186 ( 1.187 -5.534 2.286) 6.104 14.407 ( -0.472 -3.252 -1.367) 3.559 14.407 ( 0.472 -3.252 1.367) 3.559 17.481 ( -0.835 -1.379 -1.985) 2.557 17.481 ( 0.835 -1.379 1.985) 2.557 17.739 ( -2.723 0.556 -1.342) 3.087 17.739 ( 2.723 0.556 1.342) 3.087 19.595 ( -0.878 -3.718 -0.866) 3.917 19.595 ( 0.878 -3.718 0.866) 3.917 19.652 ( -2.576 -1.620 -1.159) 3.257 19.652 ( 2.576 -1.620 1.159) 3.257 19.922 ( -1.774 0.304 -0.644) 1.911 19.922 ( 1.774 0.304 0.644) 1.911 20.029 ( -0.500 -1.534 -0.976) 1.886 20.029 ( 0.500 -1.534 0.976) 1.886 20.290 ( -0.794 -1.637 -0.438) 1.871 20.290 ( 0.794 -1.637 0.438) 1.871 21.208 ( -1.369 -1.833 -2.673) 3.519 21.208 ( 1.369 -1.833 2.673) 3.519 21.425 ( -0.197 0.726 -0.306) 0.812 21.425 ( 0.197 0.726 0.306) 0.812 27.428 ( -0.494 0.190 -0.329) 0.623 27.428 ( 0.494 0.190 0.329) 0.623 27.534 ( 0.049 0.669 -0.663) 0.943 27.534 ( -0.049 0.669 0.663) 0.943 28.407 ( -0.484 1.344 -0.407) 1.486 28.407 ( 0.484 1.344 0.407) 1.486 34.523 ( -0.916 9.890 -0.456) 9.942 34.523 ( 0.916 9.890 0.456) 9.942 35.849 ( -5.302 12.971 -17.884) 22.720 35.849 ( 5.302 12.971 17.884) 22.720 38.019 ( -2.937 18.959 -3.551) 19.511 38.019 ( 2.937 18.959 3.551) 19.511 39.167 ( -10.024 -5.598 1.538) 11.584 39.167 ( 10.024 -5.598 -1.538) 11.584 39.973 ( -3.871 -0.796 -1.871) 4.373 39.973 ( 3.871 -0.796 1.871) 4.373 41.043 ( -14.536 -12.012 -6.866) 20.068 41.043 ( 14.536 -12.012 6.866) 20.068 ======================= Grid point 172 (76/90) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 5.492 12.159 -8.928) 16.053 1.146 ( 5.314 12.444 6.727) 15.111 1.343 ( -5.572 13.028 -13.263) 19.408 1.448 ( 1.314 0.869 0.157) 1.583 1.583 ( 2.770 2.585 2.144) 4.353 1.672 ( -1.702 4.732 1.488) 5.244 1.723 ( -0.237 10.164 -5.635) 11.624 2.079 ( 7.317 7.115 3.872) 10.916 2.154 ( -3.143 15.751 -5.486) 16.973 2.387 ( 0.920 7.716 8.166) 11.273 2.597 ( -3.334 8.410 -4.741) 10.214 2.665 ( -2.041 5.316 0.709) 5.738 2.718 ( -0.848 11.652 2.303) 11.907 2.827 ( 0.853 2.447 1.307) 2.902 2.973 ( -1.981 4.632 5.568) 7.509 3.044 ( 0.041 11.195 7.872) 13.686 3.079 ( 1.621 3.450 -3.141) 4.939 3.231 ( 5.864 5.438 -1.574) 8.151 3.369 ( -5.125 9.615 3.233) 11.365 3.539 ( -3.399 5.292 -2.811) 6.889 3.646 ( 5.647 5.003 -4.083) 8.578 3.661 ( -0.731 1.425 -2.270) 2.778 3.862 ( -3.678 -1.776 -0.600) 4.128 4.038 ( 1.096 2.264 2.223) 3.357 4.050 ( -6.974 -0.187 -0.589) 7.001 4.236 ( 2.018 3.631 0.785) 4.228 4.355 ( 0.185 -1.465 -1.234) 1.925 4.430 ( -0.156 -5.349 -0.619) 5.387 4.609 ( 0.637 1.572 2.346) 2.895 4.735 ( 4.307 5.207 -3.189) 7.472 4.822 ( 0.050 -4.193 1.685) 4.519 4.970 ( 4.786 -10.480 0.483) 11.531 5.148 ( -2.693 8.141 0.627) 8.598 5.332 ( -1.389 0.301 2.567) 2.934 5.541 ( 3.537 0.721 1.688) 3.985 5.560 ( 4.025 3.812 -2.023) 5.901 5.883 ( 0.662 0.496 2.373) 2.513 6.022 ( 5.164 -3.224 -2.335) 6.520 6.288 ( -5.529 -7.712 -1.635) 9.629 6.433 ( 0.467 -6.136 2.939) 6.819 6.685 ( -4.673 -5.968 -3.717) 8.442 6.700 ( -5.357 -1.118 -1.565) 5.692 6.932 ( -4.802 -3.621 5.900) 8.425 7.092 ( 2.938 -3.222 -1.449) 4.595 7.962 ( -0.538 5.427 -5.342) 7.634 8.174 ( 7.623 9.016 6.088) 13.284 8.616 ( -7.375 3.253 -4.753) 9.358 8.882 ( 2.607 -0.659 1.897) 3.291 9.971 ( -0.663 -0.387 1.658) 1.827 9.980 ( -0.104 -0.161 -2.146) 2.155 10.183 ( -1.350 -1.669 -0.368) 2.178 10.215 ( 0.367 -0.774 0.961) 1.288 11.357 ( -3.660 1.205 -1.004) 3.982 11.510 ( 1.120 -1.347 -1.211) 2.130 11.965 ( -2.699 4.750 -0.771) 5.518 12.101 ( 0.337 2.147 0.265) 2.190 12.571 ( -0.546 2.134 -0.258) 2.218 12.612 ( 0.559 2.957 -0.345) 3.029 12.899 ( -4.755 1.753 -0.005) 5.068 13.250 ( 3.183 -4.379 0.824) 5.476 13.320 ( 1.764 2.599 -5.628) 6.445 13.460 ( 6.751 -8.621 5.243) 12.140 14.157 ( -1.213 -4.784 -2.036) 5.339 14.209 ( 0.499 -6.538 1.794) 6.798 14.368 ( -1.892 -3.078 0.311) 3.626 14.429 ( 0.465 -4.607 0.758) 4.693 17.441 ( -1.399 -1.743 -0.143) 2.240 17.521 ( 0.821 -2.604 0.066) 2.731 17.676 ( -0.901 2.268 0.272) 2.455 17.823 ( 3.242 1.260 -0.039) 3.479 19.572 ( -0.991 -2.771 -0.909) 3.080 19.596 ( -0.706 -3.947 -0.086) 4.011 19.619 ( 0.022 -1.381 -0.138) 1.388 19.717 ( 2.211 -2.768 0.728) 3.617 19.884 ( -0.696 -0.043 0.040) 0.698 19.967 ( 1.905 -0.786 0.213) 2.072 20.014 ( -0.718 -1.076 -0.873) 1.561 20.037 ( 0.173 -2.485 0.345) 2.515 20.240 ( -1.496 -0.104 0.998) 1.801 20.345 ( 1.625 -2.888 1.027) 3.469 21.154 ( -2.447 -1.332 -1.343) 3.093 21.217 ( -0.959 -1.683 1.461) 2.426 21.428 ( 1.385 0.306 0.671) 1.569 21.486 ( 3.380 -0.638 -0.140) 3.443 27.425 ( 0.227 0.407 -0.211) 0.512 27.445 ( 0.971 0.005 -0.014) 0.971 27.534 ( -0.082 0.208 0.017) 0.225 27.535 ( 0.147 1.119 -0.004) 1.129 28.395 ( -0.426 1.398 -0.282) 1.488 28.415 ( 0.102 1.289 0.280) 1.323 34.541 ( 2.912 9.372 -0.027) 9.814 34.583 ( 4.419 10.597 0.258) 11.485 35.655 ( -10.632 14.476 -11.826) 21.505 35.864 ( -6.652 11.803 17.085) 21.805 37.927 ( -5.030 19.983 -0.148) 20.607 38.070 ( 0.954 17.247 6.307) 18.389 38.613 ( -33.910 3.753 -9.253) 35.349 39.061 ( -15.635 -5.785 -2.931) 16.927 39.807 ( -3.744 3.598 3.428) 6.222 39.979 ( -3.700 3.496 -4.127) 6.553 41.130 ( 20.345 -14.532 -3.555) 25.253 41.641 ( 27.884 -22.140 -1.957) 35.659 ======================= Grid point 173 (77/90) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 3.606 11.800 -2.270) 12.546 1.277 ( 11.805 12.205 0.351) 16.983 1.373 ( 7.078 8.044 -0.838) 10.748 1.510 ( 3.591 -1.944 -0.301) 4.094 1.597 ( -2.102 6.222 -2.833) 7.153 1.653 ( 3.808 2.790 1.491) 4.951 1.789 ( 4.442 6.589 -1.223) 8.040 2.002 ( -5.992 9.027 -9.475) 14.393 2.289 ( 7.342 9.480 4.132) 12.683 2.424 ( -0.038 6.479 1.985) 6.776 2.472 ( -4.906 2.830 3.528) 6.673 2.652 ( -0.869 0.246 -3.806) 3.911 2.727 ( 2.261 10.424 -0.867) 10.702 2.777 ( -4.181 13.257 -3.263) 14.278 2.876 ( -4.087 3.929 6.146) 8.361 3.044 ( 1.335 5.830 3.830) 7.102 3.199 ( 1.888 1.763 3.567) 4.404 3.264 ( -1.539 2.362 2.749) 3.938 3.326 ( -1.024 7.083 -2.912) 7.727 3.454 ( -5.017 2.066 -1.199) 5.557 3.581 ( -3.068 -3.521 -3.670) 5.939 3.760 ( -3.263 -8.602 0.600) 9.220 3.776 ( 0.168 10.080 2.018) 10.281 3.944 ( 0.846 4.215 -1.109) 4.440 4.025 ( -1.171 0.693 0.604) 1.488 4.277 ( -0.467 1.652 -2.996) 3.453 4.372 ( 0.660 -4.129 -4.538) 6.171 4.419 ( 1.751 -2.173 2.652) 3.850 4.664 ( 3.695 0.269 2.122) 4.269 4.812 ( 3.455 8.845 -0.719) 9.523 4.853 ( 2.173 2.508 -0.559) 3.365 5.034 ( 0.168 -13.107 2.336) 13.314 5.155 ( 2.116 1.591 2.217) 3.453 5.250 ( -4.575 -0.637 1.544) 4.871 5.606 ( 3.124 0.356 2.743) 4.173 5.657 ( 4.156 6.176 -2.638) 7.897 5.917 ( 1.277 1.947 0.267) 2.344 6.100 ( 1.162 0.490 -1.378) 1.868 6.189 ( -2.152 -6.614 -0.785) 7.000 6.407 ( -3.312 -5.239 0.720) 6.240 6.535 ( -6.658 2.364 0.894) 7.121 6.642 ( -2.642 -5.288 -1.819) 6.185 6.864 ( 0.182 -1.489 2.801) 3.177 7.135 ( 0.879 -4.755 -1.105) 4.960 7.972 ( 1.917 4.507 -3.948) 6.291 8.273 ( -0.807 3.471 -0.922) 3.681 8.536 ( 1.968 9.479 2.838) 10.089 8.890 ( -1.820 2.327 -0.115) 2.957 9.961 ( -0.373 0.153 0.732) 0.836 9.974 ( -0.268 0.379 -1.699) 1.761 10.157 ( -0.779 -1.150 0.030) 1.390 10.216 ( -0.577 -0.049 0.910) 1.078 11.323 ( 0.343 3.404 2.470) 4.220 11.502 ( -1.409 0.348 -3.880) 4.142 11.916 ( -1.910 6.302 -0.727) 6.625 12.036 ( -5.258 6.662 0.593) 8.507 12.569 ( 0.328 2.756 -2.574) 3.786 12.618 ( -0.299 2.369 1.843) 3.016 12.922 ( 5.738 -2.473 -0.031) 6.248 13.284 ( -0.864 -4.055 0.537) 4.181 13.361 ( 3.712 -0.532 -5.660) 6.790 13.557 ( 1.577 -9.404 5.387) 10.952 14.137 ( -0.375 -4.956 -1.808) 5.289 14.202 ( -1.393 -6.493 1.202) 6.748 14.348 ( 0.284 -4.686 0.068) 4.695 14.428 ( -0.603 -6.118 1.177) 6.260 17.424 ( -0.228 -2.365 -0.126) 2.380 17.503 ( -1.934 -3.638 0.049) 4.121 17.711 ( 3.355 3.931 0.413) 5.184 17.862 ( 0.451 2.859 -0.069) 2.895 19.558 ( -0.174 -2.526 -0.393) 2.562 19.602 ( 1.201 -3.014 0.173) 3.249 19.613 ( -0.705 -2.412 -0.496) 2.561 19.724 ( -1.238 -2.320 0.804) 2.750 19.905 ( 2.076 -1.833 -0.032) 2.770 19.998 ( -0.780 -0.905 -0.734) 1.402 20.001 ( 1.305 -2.408 0.230) 2.748 20.038 ( -0.095 -3.448 -0.118) 3.451 20.233 ( 0.774 0.281 -0.703) 1.083 20.351 ( -1.127 -2.687 2.566) 3.883 21.120 ( -0.643 -1.538 -1.134) 2.016 21.187 ( -1.847 -1.566 1.070) 2.648 21.466 ( 1.974 -0.050 0.700) 2.095 21.534 ( 1.078 -1.196 -0.453) 1.672 27.435 ( 0.624 0.450 0.125) 0.779 27.462 ( 0.544 0.213 -0.360) 0.687 27.531 ( -0.066 0.167 -0.188) 0.260 27.539 ( 0.101 1.116 0.174) 1.134 28.391 ( 0.098 1.279 -0.281) 1.313 28.412 ( -0.341 1.339 0.312) 1.417 34.638 ( 6.118 9.498 0.414) 11.306 34.694 ( 5.845 11.309 -0.167) 12.732 35.424 ( -10.065 13.832 -6.140) 18.175 35.630 ( -15.310 13.196 8.991) 22.122 37.825 ( -4.308 19.510 0.210) 19.981 38.008 ( -12.084 20.964 0.302) 24.199 38.147 ( -3.390 2.867 0.838) 4.518 38.687 ( -17.614 -3.605 -5.173) 18.708 39.790 ( 0.750 4.697 6.291) 7.887 39.923 ( -1.548 4.906 -6.883) 8.593 41.577 ( 20.307 -18.048 -2.608) 27.293 42.030 ( 9.921 -23.192 -1.177) 25.253 ======================= Grid point 174 (78/90) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 5.319 7.459 -1.467) 9.278 1.408 ( -1.448 5.031 3.496) 6.296 1.519 ( 3.760 3.447 4.379) 6.722 1.546 ( 1.081 2.599 -2.684) 3.890 1.652 ( 6.964 6.635 3.064) 10.095 1.780 ( 1.573 4.129 -6.297) 7.693 1.826 ( 3.873 10.751 -1.611) 11.540 1.945 ( 0.925 7.781 -1.338) 7.949 2.264 ( -4.400 5.096 -1.295) 6.856 2.344 ( -5.413 8.675 0.015) 10.225 2.538 ( 3.008 4.323 8.760) 10.221 2.595 ( -2.772 3.419 -6.363) 7.737 2.751 ( 5.595 0.464 -3.905) 6.839 2.842 ( 1.691 -2.170 3.005) 4.074 2.855 ( 5.192 19.209 2.226) 20.022 3.044 ( -5.581 7.421 -3.813) 10.037 3.116 ( -2.606 2.005 3.946) 5.137 3.221 ( -6.784 -5.786 -5.566) 10.511 3.276 ( 0.385 -3.270 3.014) 4.464 3.349 ( -4.638 -1.194 1.728) 5.092 3.545 ( 2.644 -0.436 -0.145) 2.684 3.654 ( -6.164 0.864 0.089) 6.225 3.847 ( 6.149 2.499 3.473) 7.491 3.963 ( -3.780 1.556 -1.160) 4.250 4.075 ( 6.483 0.382 0.267) 6.500 4.195 ( -5.080 -2.802 -2.713) 6.405 4.419 ( 3.378 1.481 -7.947) 8.761 4.455 ( -0.173 -0.295 6.241) 6.251 4.762 ( 6.214 -0.814 0.892) 6.331 4.871 ( 1.399 9.704 2.636) 10.152 4.889 ( 0.990 7.875 -1.819) 8.143 4.934 ( -8.055 -4.871 -0.394) 9.421 5.197 ( 1.520 -6.287 2.397) 6.898 5.216 ( -0.083 -7.301 -0.210) 7.304 5.674 ( 3.068 1.863 -0.380) 3.609 5.710 ( 0.450 5.548 0.604) 5.599 5.941 ( 2.319 0.916 3.318) 4.150 6.034 ( -4.993 -0.590 -5.078) 7.146 6.226 ( 3.542 -0.957 -0.167) 3.673 6.319 ( -5.148 -1.867 1.032) 5.572 6.468 ( 1.080 1.477 2.192) 2.856 6.549 ( -5.189 -0.867 -2.064) 5.651 6.968 ( 7.533 -2.580 0.709) 7.994 7.102 ( -4.291 -4.405 -0.403) 6.163 8.041 ( 5.187 2.822 -2.672) 6.481 8.170 ( -6.826 0.965 0.183) 6.896 8.663 ( 7.642 10.410 3.170) 13.298 8.810 ( -5.744 6.852 -1.515) 9.069 9.959 ( 0.108 0.394 0.581) 0.710 9.965 ( -0.360 0.478 -1.070) 1.226 10.160 ( 1.083 -0.495 0.151) 1.200 10.192 ( -1.652 0.025 0.321) 1.683 11.368 ( 3.216 3.683 5.375) 7.266 11.447 ( -3.328 2.351 -5.784) 7.075 11.895 ( 0.335 7.334 -0.089) 7.342 11.937 ( -3.688 7.814 0.096) 8.641 12.581 ( 1.082 3.250 -2.834) 4.445 12.603 ( -1.205 3.101 2.692) 4.279 13.071 ( 7.615 -4.520 -0.097) 8.856 13.211 ( -5.532 -3.687 -0.309) 6.655 13.457 ( 5.233 -4.756 -4.647) 8.461 13.543 ( -3.097 -7.204 5.055) 9.330 14.140 ( 0.828 -5.604 -1.460) 5.850 14.167 ( -1.749 -6.022 1.098) 6.366 14.372 ( 1.698 -6.339 -0.544) 6.585 14.407 ( -1.536 -6.768 1.067) 7.022 17.432 ( 0.963 -2.947 -0.106) 3.102 17.462 ( -1.846 -3.395 0.099) 3.866 17.786 ( 3.466 4.227 0.229) 5.471 17.844 ( -1.996 3.948 -0.100) 4.425 19.566 ( 0.909 -2.319 0.136) 2.495 19.591 ( -1.290 -2.251 -0.510) 2.644 19.639 ( 2.233 -3.175 0.246) 3.889 19.687 ( -2.194 -2.800 0.265) 3.567 19.947 ( 1.785 -1.632 0.203) 2.427 19.978 ( -1.180 -1.124 -0.530) 1.714 20.022 ( 0.729 -3.436 0.324) 3.527 20.033 ( -0.373 -3.789 -0.301) 3.819 20.265 ( 2.287 -0.632 -2.431) 3.397 20.314 ( -2.467 -1.777 3.083) 4.330 21.123 ( 0.888 -1.759 -1.030) 2.223 21.150 ( -1.723 -1.689 0.953) 2.594 21.506 ( 1.693 -0.245 0.729) 1.860 21.534 ( -0.840 -0.644 -0.723) 1.282 27.450 ( 0.736 0.493 0.370) 0.960 27.463 ( -0.398 0.458 -0.466) 0.765 27.533 ( 0.270 0.426 -0.247) 0.562 27.538 ( -0.174 0.821 0.234) 0.871 28.396 ( 0.358 1.251 -0.305) 1.337 28.404 ( -0.436 1.328 0.321) 1.434 34.770 ( 5.364 10.486 1.410) 11.863 34.799 ( 3.185 11.845 -1.370) 12.342 35.265 ( -3.260 12.449 -2.862) 13.183 35.344 ( -10.826 13.174 3.321) 17.372 37.774 ( -0.221 17.813 -0.895) 17.837 37.821 ( -5.068 17.290 -0.056) 18.017 38.192 ( 4.987 3.053 8.490) 10.309 38.372 ( -11.659 -0.450 -8.196) 14.258 39.831 ( 2.093 5.006 7.743) 9.455 39.882 ( -1.855 5.073 -7.958) 9.618 41.920 ( 12.691 -19.417 -2.060) 23.288 42.088 ( -3.348 -20.851 0.947) 21.140 ======================= Grid point 178 (79/90) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -0.471 9.486 -4.567) 10.538 1.313 ( 0.471 9.486 4.567) 10.538 1.512 ( 2.450 4.926 -1.835) 5.800 1.512 ( -2.450 4.926 1.835) 5.800 1.736 ( -2.625 4.708 -6.538) 8.473 1.736 ( 2.625 4.708 6.538) 8.473 2.002 ( -5.618 5.447 -8.838) 11.804 2.002 ( 5.618 5.447 8.838) 11.804 2.544 ( -2.638 13.254 -5.090) 14.441 2.544 ( 2.638 13.254 5.090) 14.441 2.748 ( -4.575 0.483 -0.653) 4.646 2.748 ( 4.575 0.483 0.653) 4.646 2.955 ( -4.080 8.299 -6.893) 11.534 2.955 ( 4.080 8.299 6.893) 11.534 3.084 ( -2.844 3.960 -2.673) 5.560 3.084 ( 2.844 3.960 2.673) 5.560 3.318 ( -2.227 10.154 -4.159) 11.196 3.318 ( 2.227 10.154 4.159) 11.196 3.616 ( -0.371 0.398 -6.375) 6.398 3.616 ( 0.371 0.398 6.375) 6.398 3.742 ( 2.098 7.200 -4.323) 8.656 3.742 ( -2.098 7.200 4.323) 8.656 3.985 ( -7.915 4.276 -0.593) 9.016 3.985 ( 7.915 4.276 0.593) 9.016 4.279 ( -3.537 4.811 -2.333) 6.411 4.279 ( 3.537 4.811 2.333) 6.411 4.361 ( 3.027 1.026 -1.938) 3.738 4.361 ( -3.027 1.026 1.938) 3.738 4.631 ( -4.772 -5.377 -2.169) 7.510 4.631 ( 4.772 -5.377 2.169) 7.510 4.692 ( -1.141 -6.638 -1.669) 6.939 4.692 ( 1.141 -6.638 1.669) 6.939 5.296 ( -1.334 -2.785 -4.865) 5.762 5.296 ( 1.334 -2.785 4.865) 5.762 5.576 ( 1.492 2.218 -5.031) 5.697 5.576 ( -1.492 2.218 5.031) 5.697 5.922 ( -1.271 4.419 -4.806) 6.651 5.922 ( 1.271 4.419 4.806) 6.651 6.261 ( -3.987 -3.281 -3.688) 6.345 6.261 ( 3.987 -3.281 3.688) 6.345 6.656 ( 3.084 -3.394 -4.440) 6.383 6.656 ( -3.084 -3.394 4.440) 6.383 6.961 ( 4.955 -3.426 -5.349) 8.056 6.961 ( -4.955 -3.426 5.349) 8.056 8.190 ( -5.542 8.222 -7.139) 12.218 8.190 ( 5.542 8.222 7.139) 12.218 8.790 ( -5.188 0.620 -3.416) 6.243 8.790 ( 5.188 0.620 3.416) 6.243 9.974 ( 0.376 -0.384 -2.505) 2.562 9.974 ( -0.376 -0.384 2.505) 2.562 10.154 ( -0.369 -3.077 -1.889) 3.630 10.154 ( 0.369 -3.077 1.889) 3.630 11.451 ( -0.119 1.071 -2.097) 2.358 11.451 ( 0.119 1.071 2.097) 2.358 12.070 ( -1.455 1.336 -2.549) 3.225 12.070 ( 1.455 1.336 2.549) 3.225 12.664 ( 1.863 3.589 -3.298) 5.218 12.664 ( -1.863 3.589 3.298) 5.218 12.996 ( -4.257 -6.738 -2.628) 8.392 12.996 ( 4.257 -6.738 2.628) 8.392 13.347 ( 0.224 1.541 -2.660) 3.082 13.347 ( -0.224 1.541 2.660) 3.082 14.079 ( -0.353 -4.973 -0.710) 5.036 14.079 ( 0.353 -4.973 0.710) 5.036 14.328 ( 0.984 -4.347 -0.779) 4.525 14.328 ( -0.984 -4.347 0.779) 4.525 17.452 ( -0.378 -1.433 -1.586) 2.171 17.452 ( 0.378 -1.433 1.586) 2.171 17.751 ( -1.579 0.516 -1.578) 2.291 17.751 ( 1.579 0.516 1.578) 2.291 19.511 ( -0.307 -3.917 -0.176) 3.932 19.511 ( 0.307 -3.917 0.176) 3.932 19.620 ( -1.155 -1.709 -2.590) 3.312 19.620 ( 1.155 -1.709 2.590) 3.312 19.899 ( -0.716 -1.911 -0.265) 2.058 19.899 ( 0.716 -1.911 0.265) 2.058 20.034 ( -0.230 1.257 -1.218) 1.765 20.034 ( 0.230 1.257 1.218) 1.765 20.264 ( -0.253 -1.041 -0.852) 1.369 20.264 ( 0.253 -1.041 0.852) 1.369 21.174 ( -1.878 -1.528 -1.496) 2.846 21.174 ( 1.878 -1.528 1.496) 2.846 21.434 ( 0.927 0.173 -1.012) 1.383 21.434 ( -0.927 0.173 1.012) 1.383 27.432 ( -0.513 0.136 -0.169) 0.557 27.432 ( 0.513 0.136 0.169) 0.557 27.543 ( 0.012 0.309 -0.639) 0.710 27.543 ( -0.012 0.309 0.639) 0.710 28.432 ( -0.295 1.088 -0.450) 1.214 28.432 ( 0.295 1.088 0.450) 1.214 34.728 ( -1.237 9.945 -0.645) 10.042 34.728 ( 1.237 9.945 0.645) 10.042 36.077 ( -3.775 9.596 -10.541) 14.747 36.077 ( 3.775 9.596 10.541) 14.747 38.307 ( -1.030 9.599 -3.606) 10.306 38.307 ( 1.030 9.599 3.606) 10.306 39.077 ( 5.997 -2.752 -2.300) 6.987 39.077 ( -5.997 -2.752 2.300) 6.987 40.007 ( -0.271 3.958 -4.339) 5.880 40.007 ( 0.271 3.958 4.339) 5.880 40.799 ( -9.041 -12.214 -5.447) 16.142 40.799 ( 9.041 -12.214 5.447) 16.142 ======================= Grid point 180 (80/90) ======================= q-point: ( 0.14 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.503 8.175 -1.193) 8.398 1.381 ( 4.506 7.962 -0.964) 9.199 1.477 ( -0.607 3.827 2.128) 4.421 1.540 ( -0.706 7.808 -3.630) 8.639 1.680 ( 0.878 6.666 -2.664) 7.232 1.758 ( -1.569 3.917 2.763) 5.043 1.927 ( -0.165 9.941 -6.744) 12.014 2.138 ( 5.010 1.204 0.081) 5.153 2.441 ( -5.902 10.269 -1.479) 11.936 2.548 ( -5.254 9.473 3.957) 11.532 2.671 ( -2.409 3.145 -0.250) 3.969 2.719 ( -4.922 2.014 -0.788) 5.376 2.872 ( 2.071 4.409 2.352) 5.409 2.908 ( -5.008 4.529 6.550) 9.407 3.093 ( 1.378 -0.253 0.857) 1.642 3.220 ( -4.276 10.256 -1.137) 11.170 3.255 ( 7.509 11.594 5.626) 14.915 3.409 ( -0.363 9.556 -5.041) 10.810 3.483 ( -7.322 -4.529 -1.273) 8.703 3.609 ( -3.382 0.632 1.045) 3.596 3.677 ( -4.091 10.980 -0.669) 11.736 3.739 ( -4.213 -1.640 -2.163) 5.012 3.900 ( 4.271 5.399 -3.002) 7.510 4.114 ( -0.698 5.188 2.125) 5.650 4.209 ( -1.172 12.744 0.204) 12.800 4.286 ( -2.475 -2.113 -0.563) 3.302 4.302 ( -1.521 1.183 2.066) 2.825 4.400 ( 0.919 2.082 -3.743) 4.381 4.556 ( -0.849 -7.953 -0.815) 8.039 4.716 ( 4.930 -4.789 4.551) 8.243 4.734 ( 2.959 -9.114 2.241) 9.841 4.776 ( 6.114 -1.406 -1.398) 6.427 5.225 ( -3.587 -0.741 -3.195) 4.860 5.294 ( -2.746 -4.824 0.826) 5.612 5.565 ( 1.646 1.172 0.113) 2.024 5.677 ( 5.913 5.269 -1.288) 8.024 5.905 ( 1.329 -1.555 0.956) 2.258 6.046 ( 6.944 5.039 4.192) 9.549 6.148 ( -5.555 -2.467 -3.088) 6.817 6.337 ( 2.557 -0.377 1.956) 3.242 6.584 ( -2.941 -4.436 -1.454) 5.517 6.688 ( 0.185 0.978 -6.006) 6.087 6.852 ( -4.940 -3.252 8.656) 10.483 7.046 ( 2.940 -1.788 -2.080) 4.021 8.088 ( -2.623 6.517 -3.546) 7.869 8.330 ( 4.165 5.747 3.264) 7.812 8.676 ( -2.771 3.226 -1.181) 4.414 8.908 ( 4.650 2.341 0.655) 5.247 9.966 ( -0.409 -0.451 1.242) 1.383 9.979 ( 0.282 -0.124 -2.420) 2.440 10.135 ( -0.968 -2.733 -0.150) 2.903 10.174 ( 0.894 -3.142 1.087) 3.443 11.399 ( -1.622 2.677 1.420) 3.437 11.505 ( 1.932 0.576 -2.555) 3.254 12.036 ( -1.267 2.603 -1.771) 3.394 12.108 ( 1.208 -0.441 2.020) 2.395 12.626 ( -1.498 3.210 0.665) 3.604 12.689 ( 0.303 3.802 -1.327) 4.038 12.896 ( -2.566 -1.602 -0.254) 3.036 13.098 ( 3.026 -9.601 0.815) 10.099 13.339 ( 1.308 -1.741 0.374) 2.210 13.387 ( 1.558 1.672 -0.713) 2.394 14.065 ( -0.684 -4.349 -0.332) 4.415 14.088 ( 0.165 -5.253 0.220) 5.260 14.291 ( -2.334 -4.206 0.794) 4.875 14.328 ( -0.852 -5.201 -0.138) 5.272 17.409 ( -1.881 -1.366 0.148) 2.329 17.467 ( -0.681 -2.632 -0.200) 2.726 17.725 ( 1.179 2.388 0.292) 2.680 17.835 ( 4.037 -0.021 -0.025) 4.037 19.498 ( -0.757 -3.766 0.017) 3.841 19.512 ( -0.181 -3.842 -0.049) 3.847 19.599 ( -0.329 -1.069 -1.514) 1.883 19.656 ( 1.375 -3.058 1.671) 3.746 19.875 ( -0.822 -1.054 0.033) 1.337 19.923 ( 0.990 -2.406 -0.222) 2.611 20.017 ( -0.984 0.587 -0.670) 1.327 20.032 ( -0.558 1.256 0.432) 1.441 20.237 ( -0.652 -0.136 0.090) 0.672 20.298 ( 1.192 -1.857 0.538) 2.272 21.124 ( -2.224 -1.401 -1.667) 3.112 21.192 ( -0.390 -0.957 1.466) 1.794 21.431 ( 0.849 0.006 0.900) 1.238 21.471 ( 2.103 -0.779 -0.766) 2.370 27.428 ( 0.202 0.054 -0.045) 0.214 27.449 ( 1.018 0.216 0.050) 1.042 27.536 ( -0.281 0.146 0.035) 0.318 27.551 ( 0.344 0.442 -0.080) 0.566 28.422 ( -0.375 1.263 -0.173) 1.328 28.439 ( 0.130 1.007 0.210) 1.037 34.738 ( 2.615 9.709 -0.211) 10.057 34.796 ( 4.781 10.009 0.198) 11.094 35.916 ( -9.873 11.384 -7.503) 16.833 36.071 ( -5.842 8.574 9.485) 14.058 38.244 ( -3.809 9.701 0.313) 10.427 38.313 ( -1.743 9.052 2.194) 9.475 38.728 ( -22.181 7.042 -0.720) 23.283 38.954 ( -14.625 -4.120 -2.827) 15.455 39.900 ( -2.061 5.608 2.488) 6.472 40.076 ( -0.747 6.144 -4.205) 7.483 40.832 ( 15.248 -14.538 -0.455) 21.073 41.230 ( 21.534 -18.903 -0.090) 28.654 ======================= Grid point 181 (81/90) ======================= q-point: ( 0.29 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 2.902 4.427 0.470) 5.314 1.466 ( 1.691 -0.588 1.894) 2.606 1.507 ( 3.128 4.891 -1.221) 5.933 1.546 ( 4.386 9.940 -0.302) 10.869 1.714 ( -1.398 6.262 0.844) 6.471 1.759 ( 6.074 6.826 -1.762) 9.306 1.966 ( 3.969 10.350 -3.429) 11.603 2.152 ( -3.652 5.222 -4.616) 7.869 2.323 ( -2.944 -0.483 -0.436) 3.015 2.473 ( -1.579 0.719 0.905) 1.957 2.576 ( -6.137 3.303 4.610) 8.356 2.682 ( -0.399 3.366 1.518) 3.714 2.785 ( -4.607 3.121 -3.436) 6.539 2.995 ( 5.874 5.378 5.165) 9.493 3.059 ( -6.213 5.833 -1.652) 8.681 3.146 ( -5.343 1.619 -1.529) 5.788 3.286 ( -5.545 -6.241 -2.984) 8.866 3.304 ( -4.073 2.796 5.106) 7.105 3.360 ( -3.374 9.204 2.337) 10.078 3.511 ( -3.157 0.175 1.305) 3.421 3.603 ( -3.480 10.854 -2.915) 11.765 3.691 ( -1.030 2.163 -1.051) 2.616 4.003 ( 3.067 1.995 -0.316) 3.672 4.058 ( -1.094 13.493 0.625) 13.552 4.151 ( -3.225 10.406 2.752) 11.237 4.223 ( -4.348 -4.532 1.020) 6.363 4.319 ( 2.179 -4.051 -0.447) 4.621 4.417 ( 1.332 2.196 -8.710) 9.081 4.584 ( 2.984 -8.064 -1.312) 8.698 4.776 ( 0.536 -10.240 4.711) 11.284 4.867 ( 7.784 -2.700 5.259) 9.774 4.902 ( 5.839 1.297 -1.328) 6.127 5.153 ( -2.920 0.418 -1.899) 3.508 5.209 ( -4.876 -3.677 0.211) 6.111 5.620 ( 3.469 0.467 -2.555) 4.333 5.779 ( 3.131 3.774 1.483) 5.123 5.937 ( 0.782 -2.424 0.647) 2.628 6.034 ( -3.712 -5.760 -4.103) 7.986 6.188 ( 4.477 6.013 5.536) 9.320 6.345 ( -1.743 1.531 -0.256) 2.334 6.571 ( 1.280 -2.398 -5.173) 5.844 6.668 ( -1.263 10.605 2.540) 10.978 6.817 ( 1.866 -2.387 3.737) 4.811 7.076 ( 0.069 -0.788 -0.957) 1.241 8.063 ( 0.155 4.275 -1.703) 4.604 8.301 ( -5.513 -0.440 -1.495) 5.729 8.732 ( 6.548 9.939 2.180) 12.100 8.977 ( 1.756 5.370 -0.064) 5.650 9.961 ( -0.213 -0.398 0.848) 0.960 9.979 ( -0.085 0.041 -2.485) 2.487 10.120 ( -0.197 -2.133 0.462) 2.192 10.186 ( -0.060 -2.809 0.895) 2.949 11.396 ( 1.054 3.723 3.805) 5.427 11.521 ( 0.049 1.320 -4.739) 4.920 12.011 ( -0.913 3.270 -1.238) 3.614 12.101 ( -2.179 0.463 1.925) 2.944 12.618 ( 0.957 2.434 -3.467) 4.343 12.683 ( -0.618 3.400 2.461) 4.243 12.897 ( 2.389 -0.330 -0.053) 2.412 13.128 ( -0.058 -9.831 0.067) 9.832 13.371 ( 1.239 -1.890 -4.359) 4.910 13.412 ( 0.904 -2.309 4.423) 5.071 14.051 ( -0.578 -3.718 -0.230) 3.769 14.081 ( -0.865 -5.066 0.139) 5.141 14.251 ( -1.225 -4.878 0.057) 5.030 14.301 ( -1.597 -6.348 0.552) 6.569 17.381 ( -0.802 -1.858 0.049) 2.024 17.435 ( -1.942 -3.128 -0.036) 3.682 17.783 ( 3.740 3.215 0.260) 4.939 17.898 ( 1.790 0.798 -0.040) 1.961 19.488 ( -0.129 -3.732 0.356) 3.752 19.509 ( -0.086 -4.181 -0.317) 4.194 19.598 ( 0.298 -0.821 -0.974) 1.308 19.666 ( -0.631 -3.213 1.130) 3.463 19.875 ( 0.877 -1.238 -0.019) 1.517 19.937 ( 0.265 -2.570 -0.275) 2.598 19.999 ( -0.619 -0.303 -0.330) 0.764 20.017 ( -0.830 0.869 0.194) 1.217 20.237 ( 0.569 0.074 -1.135) 1.272 20.306 ( -0.495 -1.765 1.850) 2.604 21.091 ( -0.618 -1.189 -2.120) 2.508 21.168 ( -1.895 -0.519 1.793) 2.660 21.461 ( 1.636 -0.474 0.725) 1.851 21.506 ( 1.083 -1.523 -0.664) 1.983 27.438 ( 0.694 0.096 0.171) 0.721 27.468 ( 0.595 0.220 -0.176) 0.659 27.534 ( 0.087 0.142 -0.047) 0.173 27.556 ( 0.036 0.454 -0.009) 0.456 28.418 ( 0.031 1.321 -0.118) 1.327 28.438 ( -0.243 1.097 0.158) 1.135 34.832 ( 6.228 9.425 0.168) 11.298 34.915 ( 6.305 10.092 -0.347) 11.904 35.688 ( -10.717 12.139 -3.751) 16.621 35.870 ( -13.151 10.154 5.410) 17.473 38.165 ( -3.678 9.779 2.909) 10.845 38.223 ( -7.372 9.174 -0.376) 11.775 38.370 ( -9.284 13.657 0.409) 16.519 38.615 ( -15.428 -3.006 -3.664) 16.140 39.903 ( 1.477 6.478 4.480) 8.014 40.047 ( -1.158 7.395 -5.812) 9.476 41.206 ( 17.881 -18.099 -0.505) 25.447 41.568 ( 10.246 -22.248 -0.133) 24.495 ======================= Grid point 182 (82/90) ======================= q-point: ( 0.43 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.761 2.423 0.086) 3.675 1.465 ( -1.509 0.471 1.625) 2.267 1.558 ( 2.432 2.690 1.361) 3.873 1.604 ( -1.141 2.276 -2.343) 3.460 1.790 ( 7.251 7.082 2.831) 10.524 1.883 ( 1.816 5.638 -3.388) 6.824 2.061 ( 4.907 10.409 0.010) 11.508 2.100 ( 1.699 4.702 -0.413) 5.017 2.286 ( -0.920 -0.909 -1.616) 2.070 2.379 ( -7.254 -0.938 3.638) 8.169 2.557 ( 4.298 -3.146 -1.301) 5.483 2.665 ( -4.222 2.598 0.373) 4.971 2.734 ( 1.911 0.767 -1.509) 2.553 2.882 ( -11.040 1.647 -0.867) 11.196 2.940 ( -2.768 -5.763 0.903) 6.457 3.035 ( -6.410 0.104 -6.051) 8.816 3.243 ( 3.831 1.307 0.403) 4.068 3.284 ( -0.433 -1.881 4.188) 4.611 3.344 ( 1.393 17.165 4.299) 17.750 3.450 ( -5.955 13.652 -2.245) 15.062 3.575 ( 3.487 2.950 3.192) 5.573 3.660 ( -2.651 2.159 -2.449) 4.206 4.015 ( 1.442 6.562 -0.339) 6.727 4.080 ( -4.250 6.411 2.383) 8.053 4.107 ( 2.791 6.257 -1.078) 6.936 4.152 ( -2.148 1.710 0.361) 2.770 4.370 ( 2.450 -7.236 3.785) 8.525 4.415 ( -0.898 -3.928 -8.290) 9.218 4.661 ( 4.545 -7.257 -3.227) 9.151 4.749 ( -3.626 -8.746 4.774) 10.603 4.997 ( 4.408 -4.133 3.887) 7.185 5.021 ( 4.890 -2.122 -0.700) 5.376 5.098 ( -2.846 3.210 -0.272) 4.299 5.116 ( -3.404 1.868 -1.416) 4.133 5.698 ( 4.248 0.151 -2.236) 4.803 5.781 ( -3.133 0.587 1.730) 3.626 5.949 ( 0.950 -1.718 3.217) 3.769 5.979 ( -1.485 -5.020 -5.025) 7.256 6.251 ( 2.376 4.089 2.137) 5.189 6.307 ( -2.279 2.222 -0.169) 3.187 6.590 ( 1.847 6.358 -3.184) 7.346 6.637 ( -2.372 10.198 3.538) 11.052 6.928 ( 6.827 -0.231 0.123) 6.832 7.041 ( -3.568 -0.528 -0.062) 3.608 8.089 ( 2.683 2.065 -0.690) 3.455 8.176 ( -5.558 -0.236 -0.568) 5.592 8.876 ( 6.257 10.495 1.045) 12.263 8.970 ( -2.499 8.462 -0.255) 8.827 9.961 ( 0.187 -0.272 1.047) 1.098 9.970 ( -0.461 -0.068 -1.777) 1.837 10.135 ( 1.455 -1.863 0.332) 2.386 10.169 ( -1.527 -2.175 0.283) 2.673 11.442 ( 2.519 3.538 5.818) 7.260 11.497 ( -1.807 2.479 -6.137) 6.861 12.006 ( 0.739 3.532 -0.805) 3.697 12.044 ( -2.851 2.709 1.159) 4.100 12.644 ( 1.695 2.670 -5.553) 6.391 12.669 ( -1.173 3.147 5.071) 6.082 12.981 ( 5.210 -4.034 0.033) 6.590 13.085 ( -4.085 -8.029 0.025) 9.008 13.395 ( 1.836 -2.156 -6.544) 7.131 13.421 ( -0.904 -4.148 6.548) 7.803 14.045 ( 0.135 -3.771 -0.159) 3.777 14.058 ( -1.100 -4.423 0.144) 4.560 14.246 ( 0.659 -6.044 -0.690) 6.118 14.269 ( -1.472 -6.732 0.880) 6.948 17.377 ( 0.446 -2.416 -0.019) 2.457 17.398 ( -1.481 -2.901 0.036) 3.257 17.859 ( 3.185 2.963 0.135) 4.352 17.905 ( -1.074 2.049 -0.062) 2.314 19.494 ( 0.499 -4.061 0.619) 4.138 19.504 ( -0.356 -4.494 -0.593) 4.547 19.611 ( 1.116 -0.994 -0.471) 1.567 19.641 ( -1.615 -2.096 0.528) 2.698 19.903 ( 1.565 -2.214 0.107) 2.713 19.930 ( -0.900 -2.641 -0.275) 2.803 19.993 ( 0.105 -0.352 -0.143) 0.394 20.001 ( -0.622 0.216 0.140) 0.673 20.256 ( 1.419 -0.347 -2.219) 2.656 20.286 ( -1.526 -1.078 2.542) 3.155 21.095 ( 1.128 -0.955 -2.336) 2.764 21.127 ( -2.051 -0.640 2.159) 3.045 21.493 ( 1.312 -0.912 0.626) 1.716 21.512 ( -0.350 -1.379 -0.622) 1.553 27.455 ( 0.805 0.189 0.322) 0.887 27.469 ( -0.402 0.214 -0.327) 0.561 27.541 ( 0.562 0.272 -0.097) 0.632 27.552 ( -0.398 0.387 0.071) 0.559 28.423 ( 0.341 1.282 -0.089) 1.330 28.431 ( -0.406 1.214 0.104) 1.284 34.973 ( 6.259 9.390 1.025) 11.332 35.023 ( 2.665 9.975 -1.388) 10.418 35.519 ( -3.315 12.230 -0.843) 12.699 35.607 ( -10.722 12.040 1.573) 16.199 38.101 ( -1.990 9.584 -2.254) 10.045 38.109 ( -2.502 14.317 3.763) 15.013 38.289 ( -0.395 7.052 2.975) 7.664 38.364 ( -7.729 0.014 -4.581) 8.985 39.954 ( 2.540 7.193 6.046) 9.734 40.009 ( -1.980 7.555 -6.509) 10.167 41.513 ( 11.273 -20.206 -0.493) 23.143 41.652 ( -1.774 -21.745 0.276) 21.819 ======================= Grid point 186 (83/90) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.857 1.421 -0.978) 1.926 1.403 ( 0.857 1.421 0.978) 1.926 1.643 ( -1.784 5.491 -0.547) 5.799 1.643 ( 1.784 5.491 0.547) 5.799 1.809 ( -1.983 2.912 -7.016) 7.851 1.809 ( 1.983 2.912 7.016) 7.851 2.096 ( -0.806 4.046 -2.587) 4.869 2.096 ( 0.806 4.046 2.587) 4.869 2.725 ( 0.733 0.652 -4.265) 4.376 2.725 ( -0.733 0.652 4.265) 4.376 2.792 ( -8.567 7.029 -11.107) 15.690 2.792 ( 8.567 7.030 11.107) 15.690 3.087 ( -1.312 4.925 -3.512) 6.189 3.087 ( 1.312 4.925 3.512) 6.189 3.193 ( -13.325 7.180 -5.069) 15.963 3.193 ( 13.325 7.180 5.069) 15.963 3.415 ( -9.044 -0.107 -5.991) 10.849 3.415 ( 9.044 -0.107 5.991) 10.849 3.641 ( -3.459 1.766 0.275) 3.893 3.641 ( 3.459 1.766 -0.275) 3.893 3.779 ( -3.626 -1.093 -2.986) 4.823 3.779 ( 3.626 -1.093 2.986) 4.823 4.090 ( -5.121 3.197 -0.882) 6.101 4.090 ( 5.121 3.197 0.882) 6.101 4.293 ( -6.794 -4.809 -0.315) 8.329 4.293 ( 6.794 -4.809 0.315) 8.329 4.385 ( -4.475 1.723 -1.914) 5.163 4.385 ( 4.475 1.723 1.914) 5.163 4.559 ( -2.872 1.867 -3.622) 4.985 4.559 ( 2.872 1.867 3.622) 4.985 4.658 ( 3.615 1.387 -5.867) 7.030 4.658 ( -3.615 1.387 5.867) 7.030 5.170 ( 0.731 -7.935 -3.337) 8.639 5.170 ( -0.731 -7.935 3.337) 8.639 5.611 ( -1.570 1.722 -5.757) 6.211 5.611 ( 1.570 1.722 5.757) 6.211 5.919 ( -4.459 -4.264 -4.106) 7.411 5.919 ( 4.459 -4.264 4.106) 7.411 6.367 ( 0.025 10.170 -4.758) 11.228 6.367 ( -0.025 10.170 4.758) 11.228 6.631 ( -2.605 1.133 -0.564) 2.896 6.631 ( 2.605 1.133 0.564) 2.896 6.885 ( 4.665 -4.239 -4.897) 7.982 6.885 ( -4.665 -4.239 4.897) 7.982 8.329 ( -5.525 5.275 -5.183) 9.232 8.329 ( 5.525 5.275 5.183) 9.232 8.794 ( -5.567 -0.202 -1.747) 5.838 8.794 ( 5.567 -0.202 1.747) 5.838 9.958 ( 0.018 -1.072 -1.652) 1.969 9.958 ( -0.018 -1.072 1.652) 1.969 10.098 ( 0.114 -2.177 -0.535) 2.245 10.098 ( -0.114 -2.177 0.535) 2.245 11.479 ( 1.628 1.393 -2.901) 3.606 11.479 ( -1.628 1.393 2.901) 3.606 12.091 ( -0.713 0.741 -1.130) 1.528 12.091 ( 0.713 0.741 1.130) 1.528 12.729 ( 1.253 2.784 -2.880) 4.197 12.729 ( -1.253 2.784 2.880) 4.197 12.874 ( -1.325 -4.957 -2.040) 5.522 12.874 ( 1.325 -4.957 2.040) 5.522 13.373 ( 0.696 0.962 -0.859) 1.466 13.373 ( -0.696 0.962 0.859) 1.466 13.997 ( 0.593 -3.000 -0.832) 3.169 13.997 ( -0.593 -3.000 0.832) 3.169 14.249 ( -0.022 -3.177 -1.206) 3.399 14.249 ( 0.022 -3.177 1.206) 3.399 17.428 ( 0.123 -0.891 -1.456) 1.711 17.428 ( -0.123 -0.891 1.456) 1.711 17.759 ( -0.313 0.268 -1.469) 1.526 17.759 ( 0.313 0.268 1.469) 1.526 19.449 ( -0.016 -2.179 -0.067) 2.180 19.449 ( 0.016 -2.179 0.067) 2.180 19.590 ( -0.547 -1.161 -1.998) 2.374 19.590 ( 0.547 -1.161 1.998) 2.374 19.867 ( -0.877 -1.165 -0.128) 1.464 19.867 ( 0.877 -1.165 0.128) 1.464 20.056 ( -0.357 0.781 -0.330) 0.921 20.056 ( 0.357 0.781 0.330) 0.921 20.248 ( -0.560 -0.526 -0.687) 1.030 20.248 ( 0.560 -0.526 0.687) 1.030 21.150 ( -2.087 -0.839 -0.719) 2.362 21.150 ( 2.087 -0.839 0.719) 2.362 21.434 ( 0.889 -0.044 -1.305) 1.580 21.434 ( -0.889 -0.044 1.305) 1.580 27.434 ( -0.526 0.063 -0.078) 0.536 27.434 ( 0.526 0.063 0.078) 0.536 27.547 ( -0.010 0.104 -0.505) 0.516 27.547 ( 0.010 0.104 0.505) 0.516 28.449 ( -0.083 0.574 -0.327) 0.665 28.449 ( 0.083 0.574 0.327) 0.665 34.894 ( -1.190 6.164 -0.899) 6.342 34.894 ( 1.190 6.164 0.899) 6.342 36.225 ( -2.094 5.082 -4.864) 7.340 36.225 ( 2.094 5.082 4.864) 7.340 38.418 ( -1.339 2.368 -4.576) 5.323 38.418 ( 1.339 2.368 4.576) 5.323 39.059 ( 2.617 0.404 -3.107) 4.082 39.059 ( -2.617 0.404 3.107) 4.082 40.116 ( -0.365 6.545 -4.196) 7.784 40.116 ( 0.365 6.545 4.196) 7.784 40.567 ( -6.876 -10.600 -3.910) 13.226 40.567 ( 6.876 -10.600 3.910) 13.226 ======================= Grid point 188 (84/90) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.850 2.005 -0.420) 2.217 1.427 ( 0.952 0.089 0.730) 1.203 1.601 ( -1.316 5.068 0.252) 5.242 1.688 ( 0.920 5.256 -0.454) 5.355 1.789 ( 1.952 3.961 -5.730) 7.235 1.850 ( 1.160 5.075 6.598) 8.405 2.097 ( 1.450 6.684 -2.446) 7.264 2.155 ( 3.741 0.803 -0.919) 3.935 2.589 ( -10.275 5.396 -4.581) 12.477 2.703 ( -3.077 1.973 0.547) 3.696 2.731 ( -0.971 4.356 -1.804) 4.814 2.780 ( -15.436 6.041 -1.054) 16.610 2.968 ( 3.713 3.966 10.295) 11.640 3.040 ( -3.463 7.221 2.636) 8.431 3.090 ( -1.601 0.744 -0.075) 1.767 3.207 ( -10.212 -10.054 -4.594) 15.049 3.361 ( -2.499 1.762 3.457) 4.616 3.491 ( 0.117 2.912 3.931) 4.894 3.559 ( -4.429 5.711 -2.119) 7.531 3.643 ( -6.224 1.792 -1.537) 6.656 3.706 ( 3.822 1.364 -1.225) 4.239 3.852 ( -0.217 3.052 0.906) 3.191 4.007 ( 0.787 4.955 -2.451) 5.584 4.142 ( -1.768 -2.016 0.026) 2.681 4.212 ( -2.728 -3.121 0.035) 4.146 4.277 ( -0.572 -5.382 -1.600) 5.644 4.378 ( -2.887 -2.058 -3.105) 4.713 4.465 ( 0.626 4.735 2.097) 5.216 4.519 ( 2.390 8.215 -5.954) 10.424 4.609 ( 0.529 -2.472 5.585) 6.131 4.646 ( 4.327 -1.214 5.758) 7.304 4.771 ( 6.183 0.143 -1.651) 6.401 5.153 ( -0.206 -5.286 1.931) 5.631 5.191 ( 0.137 -4.037 -2.943) 4.998 5.598 ( 1.434 1.411 -3.899) 4.388 5.684 ( 3.753 -1.545 -0.185) 4.063 5.832 ( -2.675 -6.055 1.192) 6.726 5.988 ( 0.739 -4.003 1.484) 4.333 6.288 ( -1.607 8.181 4.393) 9.424 6.489 ( 4.538 4.015 -3.881) 7.196 6.520 ( -3.780 6.265 -1.725) 7.518 6.718 ( 3.698 0.616 -0.573) 3.792 6.846 ( 0.504 3.081 5.110) 5.988 6.995 ( 5.371 -3.880 -1.996) 6.920 8.203 ( -4.717 4.710 -1.979) 6.954 8.387 ( -2.804 0.374 1.381) 3.148 8.762 ( 4.585 4.975 0.701) 6.802 8.941 ( 7.074 0.505 -0.417) 7.104 9.949 ( -0.285 -1.070 -0.727) 1.325 9.970 ( 0.551 -0.788 -1.149) 1.498 10.089 ( -0.457 -1.593 1.089) 1.983 10.107 ( 0.478 -3.002 0.566) 3.092 11.451 ( -0.650 2.224 2.863) 3.683 11.522 ( 1.998 0.861 -3.634) 4.236 12.072 ( -0.889 1.004 -1.401) 1.939 12.101 ( -0.088 -0.201 1.826) 1.839 12.687 ( -1.910 2.495 0.335) 3.160 12.740 ( -0.367 1.552 -0.825) 1.796 12.867 ( 1.234 -1.303 -0.107) 1.798 12.925 ( 2.149 -6.378 0.386) 6.741 13.314 ( -2.012 -0.859 1.585) 2.701 13.424 ( 1.491 1.645 -1.752) 2.828 13.988 ( -0.296 -3.086 1.041) 3.270 14.008 ( 0.398 -2.686 -0.692) 2.802 14.216 ( -2.393 -2.975 0.119) 3.820 14.235 ( -1.665 -3.623 0.004) 3.987 17.390 ( -2.097 -0.464 0.320) 2.172 17.421 ( -1.521 -1.880 -0.348) 2.443 17.768 ( 2.478 1.919 0.350) 3.153 17.825 ( 3.950 -0.847 -0.135) 4.042 19.439 ( -0.637 -2.053 0.202) 2.159 19.450 ( -0.154 -2.164 -0.157) 2.175 19.580 ( -0.073 -0.702 -1.439) 1.603 19.605 ( 0.514 -1.928 1.551) 2.527 19.851 ( -0.451 -1.069 -0.122) 1.167 19.888 ( 0.962 -1.109 -0.003) 1.468 20.036 ( -1.376 0.957 -0.207) 1.689 20.051 ( -0.841 0.489 0.144) 0.983 20.235 ( -0.221 -0.133 -0.638) 0.688 20.270 ( 0.897 -0.913 0.716) 1.467 21.103 ( -2.007 -0.718 -1.204) 2.448 21.177 ( 0.241 -0.559 0.965) 1.141 21.429 ( 0.411 -0.139 1.153) 1.232 21.458 ( 1.292 -0.482 -1.073) 1.748 27.431 ( 0.251 0.180 0.044) 0.312 27.451 ( 1.002 -0.035 0.005) 1.003 27.541 ( -0.272 0.297 0.029) 0.404 27.554 ( 0.255 -0.142 -0.060) 0.298 28.443 ( -0.236 0.748 0.036) 0.786 28.454 ( 0.140 0.470 0.009) 0.491 34.904 ( 2.453 6.328 -0.544) 6.809 34.958 ( 4.530 5.737 0.469) 7.325 36.101 ( -8.613 6.967 -3.382) 11.583 36.195 ( -5.608 3.721 3.590) 7.627 38.352 ( -4.020 3.374 -1.148) 5.372 38.429 ( -1.158 1.704 4.742) 5.170 38.854 ( -14.556 4.882 0.512) 15.361 38.916 ( -13.759 0.012 -3.230) 14.133 40.023 ( -1.459 6.416 1.607) 6.773 40.214 ( 0.438 6.957 -4.715) 8.415 40.578 ( 12.600 -9.921 1.417) 16.100 40.891 ( 16.480 -14.666 0.443) 22.065 ======================= Grid point 189 (85/90) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.960 1.761 0.850) 2.178 1.449 ( 1.084 -0.550 1.130) 1.660 1.588 ( -0.010 3.275 1.146) 3.470 1.675 ( -1.606 3.325 -1.662) 4.050 1.871 ( 4.322 7.286 -0.329) 8.478 1.889 ( 3.665 6.234 0.681) 7.263 2.142 ( 2.831 6.300 -1.842) 7.148 2.205 ( -0.300 0.497 -2.340) 2.411 2.329 ( -11.123 2.663 0.717) 11.460 2.519 ( -7.216 2.956 -1.348) 7.913 2.604 ( -7.403 0.100 0.439) 7.417 2.768 ( -0.496 3.111 0.709) 3.229 2.803 ( -9.608 -6.694 -0.543) 11.722 2.946 ( -9.162 -0.689 0.017) 9.188 3.062 ( -1.586 -0.822 0.704) 1.920 3.149 ( 3.039 -2.500 2.566) 4.698 3.333 ( -10.675 2.668 -3.146) 11.444 3.353 ( -2.854 7.918 -0.568) 8.436 3.440 ( -0.375 1.229 3.470) 3.701 3.596 ( 1.164 3.543 4.546) 5.880 3.779 ( -0.217 7.132 -1.258) 7.246 3.819 ( -2.199 6.535 -2.179) 7.231 4.024 ( 0.578 -1.638 0.514) 1.811 4.124 ( -3.397 -4.345 -0.106) 5.517 4.135 ( 0.628 -3.224 1.903) 3.796 4.269 ( -1.898 0.431 -1.437) 2.419 4.354 ( 1.189 1.981 -1.974) 3.039 4.428 ( -2.745 4.678 -0.617) 5.459 4.533 ( -0.211 3.765 -8.925) 9.689 4.630 ( 0.298 -4.872 5.367) 7.255 4.768 ( 5.140 -5.833 3.842) 8.672 4.874 ( 2.586 -3.878 1.544) 4.911 5.146 ( -0.044 -1.840 1.900) 2.646 5.208 ( 2.426 4.826 -3.524) 6.449 5.632 ( 2.023 0.732 -1.975) 2.921 5.753 ( 2.335 -4.260 -1.398) 5.055 5.818 ( 0.492 -7.573 4.113) 8.632 5.950 ( -3.350 -2.865 -3.234) 5.468 6.308 ( 1.942 4.912 7.299) 9.010 6.423 ( -2.710 1.012 -5.562) 6.269 6.602 ( 4.604 6.851 -1.475) 8.385 6.792 ( 2.325 0.529 2.726) 3.622 6.902 ( 4.660 10.655 0.607) 11.646 7.078 ( 2.521 0.130 -0.532) 2.580 8.136 ( -1.864 2.904 -0.082) 3.452 8.274 ( -6.242 -1.880 -1.256) 6.639 8.918 ( 8.303 8.219 1.943) 11.843 9.066 ( 4.666 2.797 -0.964) 5.525 9.946 ( 0.094 -0.768 -0.513) 0.928 9.975 ( 0.017 -0.364 -1.875) 1.910 10.084 ( -0.008 -1.293 1.457) 1.948 10.117 ( 0.313 -3.551 0.700) 3.633 11.462 ( 1.190 2.574 4.487) 5.308 11.547 ( 0.752 1.022 -5.303) 5.452 12.052 ( -0.747 1.041 -1.945) 2.329 12.089 ( -1.310 -1.043 2.780) 3.245 12.659 ( -0.500 1.063 -0.852) 1.451 12.734 ( -0.405 2.219 -0.278) 2.272 12.889 ( 0.868 -2.517 0.207) 2.671 12.960 ( 1.119 -4.127 -0.294) 4.286 13.305 ( 0.799 -2.680 2.158) 3.533 13.428 ( -0.873 1.340 -1.836) 2.435 13.987 ( -0.011 -2.580 1.124) 2.814 14.008 ( -0.345 -2.312 -0.501) 2.391 14.166 ( -2.052 -3.341 0.263) 3.930 14.192 ( -2.209 -4.067 -0.275) 4.636 17.354 ( -1.302 -0.764 0.154) 1.517 17.381 ( -1.894 -2.109 -0.136) 2.838 17.838 ( 3.690 2.301 0.255) 4.356 17.898 ( 2.725 -0.620 -0.089) 2.796 19.428 ( -0.330 -2.077 0.428) 2.146 19.444 ( -0.359 -2.169 -0.416) 2.238 19.583 ( 0.380 -0.598 -0.928) 1.168 19.610 ( -0.143 -2.133 1.159) 2.432 19.851 ( 0.455 -1.088 -0.089) 1.183 19.902 ( 0.225 -1.003 -0.168) 1.041 20.008 ( -1.061 0.835 -0.211) 1.366 20.028 ( -1.178 0.189 0.182) 1.207 20.236 ( 0.480 -0.064 -1.532) 1.607 20.280 ( -0.138 -0.878 1.753) 1.966 21.075 ( -0.399 -0.496 -2.003) 2.102 21.162 ( -1.695 -0.165 1.721) 2.421 21.450 ( 1.249 -0.498 0.805) 1.567 21.480 ( 0.788 -0.953 -0.825) 1.487 27.443 ( 0.796 0.315 0.260) 0.895 27.470 ( 0.674 -0.020 -0.199) 0.703 27.538 ( 0.030 0.302 -0.025) 0.304 27.556 ( -0.027 -0.318 -0.021) 0.320 28.441 ( 0.027 0.829 0.101) 0.835 28.454 ( -0.105 0.527 -0.054) 0.540 34.992 ( 5.913 6.088 -0.157) 8.488 35.073 ( 6.217 5.446 -0.090) 8.265 35.892 ( -10.450 7.889 -1.305) 13.158 36.018 ( -10.922 4.504 1.732) 11.941 38.261 ( -4.233 3.694 0.207) 5.623 38.396 ( -1.948 2.507 5.542) 6.387 38.540 ( -14.543 4.511 -1.978) 15.354 38.627 ( -11.452 4.450 -2.906) 12.626 40.039 ( 2.289 6.721 3.362) 7.855 40.202 ( -0.647 7.258 -5.653) 9.223 40.897 ( 15.249 -11.574 0.734) 19.158 41.168 ( 9.279 -17.019 0.271) 19.386 ======================= Grid point 190 (86/90) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.320 0.764 0.650) 1.658 1.463 ( 0.022 -0.168 0.652) 0.673 1.602 ( 1.122 1.426 2.285) 2.918 1.636 ( -1.717 0.937 -2.670) 3.310 1.932 ( 2.949 6.481 2.458) 7.532 1.984 ( 1.036 4.037 -3.421) 5.392 2.119 ( -0.175 -0.203 1.038) 1.072 2.185 ( -0.297 1.826 -0.210) 1.862 2.268 ( 0.604 -1.471 -0.742) 1.754 2.333 ( -8.827 -3.145 1.747) 9.532 2.517 ( 0.074 -0.176 -2.400) 2.408 2.585 ( -6.721 -7.736 -0.618) 10.267 2.828 ( -0.914 1.089 2.079) 2.519 2.831 ( 0.411 5.913 1.947) 6.239 3.002 ( -2.219 2.375 -0.751) 3.336 3.079 ( -7.573 3.153 -4.473) 9.344 3.225 ( 0.704 -1.959 1.280) 2.444 3.269 ( -2.281 2.208 -2.192) 3.858 3.578 ( 7.585 5.692 3.624) 10.152 3.643 ( 2.356 3.098 8.304) 9.171 3.719 ( -3.434 10.721 -2.888) 11.622 3.754 ( -3.857 7.000 -5.020) 9.438 4.039 ( 0.633 -2.067 1.003) 2.383 4.062 ( -1.966 -2.985 0.646) 3.632 4.186 ( 3.171 -6.277 3.930) 8.057 4.242 ( -1.173 -1.858 -3.092) 3.793 4.340 ( -1.262 8.810 0.883) 8.943 4.360 ( -3.263 4.380 -4.210) 6.897 4.552 ( 2.907 -3.255 -5.841) 7.291 4.611 ( -2.640 -5.117 4.454) 7.280 4.844 ( 2.380 -7.676 0.384) 8.045 4.880 ( -1.239 -7.714 1.815) 8.021 5.193 ( 3.341 3.853 3.253) 6.049 5.238 ( -0.049 6.309 -3.673) 7.301 5.681 ( 2.861 -1.377 0.188) 3.181 5.746 ( -2.781 -2.862 0.581) 4.033 5.849 ( 1.925 -6.341 -0.831) 6.679 5.887 ( -2.058 -3.782 -0.693) 4.361 6.353 ( 1.493 4.573 5.649) 7.420 6.383 ( -1.036 3.538 -5.496) 6.618 6.699 ( 4.826 4.184 1.125) 6.486 6.785 ( -2.804 3.012 -0.292) 4.125 7.018 ( 5.297 8.211 -0.109) 9.772 7.091 ( -1.461 4.391 0.227) 4.633 8.122 ( 0.567 1.185 0.537) 1.419 8.166 ( -3.694 -0.676 -1.011) 3.889 9.064 ( 5.065 7.752 1.034) 9.318 9.117 ( 0.098 5.509 -0.698) 5.554 9.953 ( 0.518 -0.311 0.389) 0.719 9.966 ( -0.598 -0.141 -1.395) 1.525 10.096 ( 0.918 -1.788 0.862) 2.187 10.115 ( -0.629 -2.905 0.053) 2.972 11.501 ( 1.852 2.255 5.957) 6.634 11.539 ( -0.893 1.589 -6.286) 6.545 12.043 ( 0.268 0.618 -2.192) 2.293 12.060 ( -1.475 -0.425 2.635) 3.049 12.670 ( 1.502 -0.219 -0.610) 1.636 12.709 ( -1.911 0.610 -0.034) 2.006 12.920 ( 2.159 -2.672 -0.911) 3.554 12.960 ( -1.277 -2.562 0.954) 3.017 13.341 ( 2.276 -2.177 1.483) 3.481 13.392 ( -2.233 -0.214 -1.382) 2.635 13.989 ( 0.113 -1.893 0.773) 2.048 13.996 ( -0.565 -1.882 -0.425) 2.010 14.142 ( -0.241 -4.074 0.647) 4.132 14.154 ( -1.238 -4.257 -0.713) 4.491 17.339 ( -0.087 -1.280 0.035) 1.284 17.350 ( -1.065 -1.800 -0.022) 2.091 17.904 ( 2.371 1.634 0.139) 2.883 17.929 ( 0.116 0.445 -0.086) 0.468 19.428 ( 0.202 -2.272 0.635) 2.368 19.436 ( -0.409 -2.298 -0.635) 2.419 19.592 ( 0.566 -0.809 -0.658) 1.187 19.603 ( -0.564 -1.490 0.775) 1.772 19.869 ( 1.184 -1.211 0.202) 1.706 19.893 ( -0.955 -1.091 -0.362) 1.495 19.997 ( 0.058 0.443 -0.364) 0.577 20.007 ( -0.833 0.186 0.381) 0.935 20.250 ( 0.996 -0.243 -2.282) 2.502 20.269 ( -0.977 -0.564 2.430) 2.679 21.083 ( 1.398 -0.279 -2.475) 2.856 21.121 ( -2.238 -0.111 2.331) 3.234 21.475 ( 0.927 -0.795 0.621) 1.370 21.486 ( -0.095 -1.028 -0.648) 1.219 27.461 ( 0.826 0.384 0.407) 0.998 27.474 ( -0.271 0.237 -0.381) 0.524 27.543 ( 0.446 -0.015 -0.057) 0.450 27.552 ( -0.370 -0.290 0.036) 0.472 28.444 ( 0.254 0.782 0.139) 0.834 28.450 ( -0.272 0.664 -0.122) 0.728 35.127 ( 6.098 5.667 0.639) 8.349 35.179 ( 2.380 5.339 -1.013) 5.932 35.725 ( -3.576 7.789 0.759) 8.604 35.795 ( -9.070 6.442 -0.307) 11.130 38.211 ( 0.238 3.131 0.981) 3.290 38.296 ( -8.069 2.271 -1.763) 8.566 38.386 ( 0.839 5.028 6.012) 7.882 38.453 ( -5.286 6.270 -4.920) 9.563 40.105 ( 3.196 7.363 5.309) 9.624 40.169 ( -2.094 7.642 -6.121) 10.013 41.157 ( 9.176 -14.213 0.347) 16.921 41.260 ( -0.438 -16.398 -0.011) 16.404 ======================= Grid point 194 (87/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.475 0.000 -1.375) 1.455 1.415 ( 0.475 0.000 1.375) 1.455 1.693 ( 2.265 0.000 -0.953) 2.458 1.693 ( -2.265 0.000 0.953) 2.458 1.842 ( -1.937 0.000 -5.992) 6.298 1.842 ( 1.937 0.000 5.992) 6.298 2.144 ( -0.295 0.000 -0.143) 0.328 2.144 ( 0.295 0.000 0.143) 0.328 2.719 ( 0.580 0.000 -3.891) 3.934 2.719 ( -0.580 0.000 3.891) 3.934 2.871 ( -6.201 0.000 -13.316) 14.689 2.871 ( 6.201 0.000 13.316) 14.689 3.135 ( 0.441 0.000 -1.456) 1.522 3.135 ( -0.441 0.000 1.456) 1.522 3.330 ( 1.074 0.000 -0.462) 1.169 3.330 ( -1.074 0.000 0.462) 1.169 3.363 ( 1.476 -0.000 -2.175) 2.628 3.363 ( -1.476 -0.000 2.175) 2.628 3.654 ( -5.052 0.000 -0.625) 5.090 3.654 ( 5.052 0.000 0.625) 5.090 3.765 ( -5.084 0.000 -2.912) 5.859 3.765 ( 5.084 0.000 2.912) 5.859 4.092 ( -2.323 0.000 -2.939) 3.746 4.092 ( 2.323 0.000 2.939) 3.746 4.242 ( -9.453 -0.000 -0.971) 9.503 4.242 ( 9.453 -0.000 0.971) 9.503 4.414 ( -6.051 0.000 -0.821) 6.107 4.414 ( 6.051 0.000 0.821) 6.107 4.570 ( -1.076 0.000 -1.920) 2.201 4.570 ( 1.076 0.000 1.920) 2.201 4.713 ( 0.659 0.000 -4.267) 4.318 4.713 ( -0.659 0.000 4.267) 4.318 5.066 ( 0.817 -0.000 -3.535) 3.628 5.066 ( -0.817 0.000 3.535) 3.628 5.631 ( -2.904 0.000 -6.767) 7.363 5.631 ( 2.904 0.000 6.767) 7.363 5.864 ( -5.574 0.000 -5.119) 7.568 5.864 ( 5.574 0.000 5.119) 7.568 6.479 ( 2.546 0.000 -3.952) 4.701 6.479 ( -2.546 0.000 3.952) 4.701 6.681 ( -0.145 0.000 -3.282) 3.285 6.681 ( 0.145 0.000 3.282) 3.285 6.815 ( -1.167 0.000 -2.966) 3.187 6.815 ( 1.167 0.000 2.966) 3.187 8.385 ( -5.010 0.000 -4.369) 6.647 8.385 ( 5.010 0.000 4.369) 6.647 8.790 ( -4.654 0.000 -1.229) 4.813 8.790 ( 4.654 0.000 1.229) 4.813 9.944 ( -0.433 0.000 -2.122) 2.166 9.944 ( 0.433 0.000 2.122) 2.166 10.076 ( 0.070 0.000 -0.977) 0.979 10.076 ( -0.070 0.000 0.977) 0.979 11.495 ( 1.730 0.000 -3.218) 3.654 11.495 ( -1.730 0.000 3.218) 3.654 12.098 ( -0.591 0.000 -0.236) 0.637 12.098 ( 0.591 0.000 0.236) 0.637 12.767 ( -2.754 0.000 -1.815) 3.298 12.767 ( 2.754 0.000 1.815) 3.298 12.814 ( 2.928 0.000 -1.372) 3.233 12.814 ( -2.928 0.000 1.372) 3.233 13.383 ( -3.909 0.000 0.893) 4.010 13.383 ( 3.909 0.000 -0.893) 4.010 13.966 ( 0.838 0.000 -1.316) 1.561 13.966 ( -0.838 0.000 1.316) 1.561 14.215 ( -0.282 0.000 -1.492) 1.519 14.215 ( 0.282 0.000 1.492) 1.519 17.418 ( 0.350 0.000 -1.427) 1.469 17.418 ( -0.350 0.000 1.427) 1.469 17.761 ( 0.387 0.000 -1.421) 1.473 17.761 ( -0.387 0.000 1.421) 1.473 19.427 ( 0.256 0.000 -0.198) 0.324 19.427 ( -0.256 0.000 0.198) 0.324 19.578 ( -0.259 0.000 -1.368) 1.392 19.578 ( 0.259 0.000 1.368) 1.392 19.855 ( -0.990 0.000 -0.210) 1.012 19.855 ( 0.990 0.000 0.210) 1.012 20.064 ( 0.179 0.000 -0.204) 0.271 20.064 ( -0.179 0.000 0.204) 0.271 20.243 ( -0.738 0.000 -0.522) 0.904 20.243 ( 0.738 0.000 0.522) 0.904 21.141 ( -2.122 0.000 -0.454) 2.170 21.141 ( 2.122 0.000 0.454) 2.170 21.434 ( 0.838 0.000 -1.384) 1.618 21.434 ( -0.838 0.000 1.384) 1.618 27.434 ( -0.442 0.000 -0.052) 0.445 27.434 ( 0.442 0.000 0.052) 0.445 27.548 ( 0.062 0.000 -0.453) 0.457 27.548 ( -0.062 0.000 0.453) 0.457 28.455 ( 0.212 0.000 -0.219) 0.305 28.455 ( -0.212 0.000 0.219) 0.305 34.958 ( -1.112 0.000 -1.039) 1.522 34.958 ( 1.112 0.000 1.039) 1.522 36.276 ( -1.016 0.000 -2.747) 2.929 36.276 ( 1.016 0.000 2.747) 2.929 38.436 ( 0.160 0.000 -3.374) 3.378 38.436 ( -0.160 0.000 3.374) 3.378 39.067 ( 1.500 0.000 -2.202) 2.664 39.067 ( -1.500 0.000 2.202) 2.664 40.216 ( -8.259 0.000 2.310) 8.576 40.216 ( 8.259 0.000 -2.310) 8.576 40.427 ( -9.987 -0.000 -0.193) 9.989 40.427 ( 9.987 0.000 0.193) 9.989 ======================= Grid point 198 (88/90) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 1.112 0.000 -0.985) 1.486 1.426 ( 0.265 0.000 1.309) 1.335 1.650 ( -1.849 0.000 0.976) 2.091 1.732 ( 0.855 0.000 -0.831) 1.192 1.835 ( 2.378 0.000 -4.086) 4.728 1.908 ( 3.287 0.000 6.873) 7.619 2.167 ( 2.340 -0.000 -1.833) 2.972 2.171 ( 1.996 0.000 -1.414) 2.446 2.659 ( -6.371 0.000 -5.698) 8.547 2.682 ( -3.569 0.000 3.347) 4.893 2.804 ( 1.849 0.000 -6.999) 7.239 2.914 ( -15.002 0.000 4.514) 15.666 2.963 ( -20.275 -0.000 -3.499) 20.575 3.040 ( -4.018 -0.000 5.831) 7.081 3.119 ( -1.114 0.000 1.290) 1.704 3.139 ( -0.885 0.000 1.245) 1.528 3.366 ( -5.512 0.000 -0.876) 5.581 3.515 ( 1.075 0.000 10.959) 11.012 3.632 ( -6.376 -0.000 -1.000) 6.454 3.653 ( -5.584 0.000 -5.243) 7.660 3.731 ( 9.582 0.000 0.641) 9.603 3.870 ( 2.004 -0.000 1.884) 2.751 4.033 ( -3.486 0.000 -4.802) 5.934 4.089 ( -3.688 -0.000 -1.553) 4.002 4.192 ( 7.300 -0.000 -2.471) 7.707 4.254 ( -6.554 -0.000 0.708) 6.592 4.342 ( -1.858 -0.000 -2.088) 2.795 4.502 ( 5.484 0.000 3.349) 6.426 4.551 ( -1.799 0.000 1.441) 2.304 4.607 ( 1.787 0.000 -0.018) 1.787 4.705 ( -2.238 -0.000 -2.377) 3.265 4.769 ( 4.656 0.000 1.790) 4.988 5.086 ( 1.321 0.000 4.494) 4.684 5.148 ( 6.974 0.000 -3.620) 7.857 5.598 ( 1.106 0.000 -6.577) 6.669 5.698 ( 2.324 0.000 5.996) 6.431 5.736 ( -5.446 -0.000 -2.562) 6.019 5.947 ( 1.475 0.000 1.926) 2.426 6.389 ( -4.178 0.000 5.866) 7.201 6.447 ( -2.677 -0.000 -6.856) 7.360 6.680 ( -0.751 0.000 2.799) 2.898 6.745 ( 5.041 0.000 -1.662) 5.308 6.905 ( 5.725 -0.000 1.904) 6.033 6.906 ( 8.238 0.000 -1.679) 8.408 8.257 ( -5.554 0.000 -1.488) 5.749 8.381 ( -5.500 0.000 1.044) 5.598 8.829 ( 7.924 0.000 1.801) 8.126 8.935 ( 7.815 0.000 -1.463) 7.951 9.936 ( -0.024 0.000 -2.515) 2.515 9.957 ( 0.679 0.000 0.721) 0.991 10.074 ( -0.187 0.000 0.052) 0.194 10.075 ( -0.150 -0.000 1.591) 1.598 11.476 ( -0.351 0.000 3.548) 3.565 11.531 ( 1.903 0.000 -4.231) 4.639 12.081 ( -0.903 0.000 -0.859) 1.246 12.099 ( -0.659 0.000 1.265) 1.427 12.706 ( -2.708 0.000 -0.561) 2.766 12.784 ( 0.189 -0.000 0.355) 0.403 12.806 ( 0.317 0.000 1.350) 1.387 12.886 ( 3.793 0.000 -1.385) 4.038 13.305 ( -3.138 0.000 1.359) 3.420 13.443 ( 1.633 0.000 -1.414) 2.160 13.955 ( -0.303 0.000 1.580) 1.608 13.981 ( 0.628 0.000 -1.059) 1.232 14.184 ( -2.376 0.000 -1.101) 2.619 14.198 ( -1.894 -0.000 1.025) 2.153 17.390 ( -2.058 0.000 1.300) 2.434 17.397 ( -1.908 -0.000 -1.323) 2.321 17.798 ( 3.263 -0.000 1.491) 3.588 17.806 ( 3.489 0.000 -1.306) 3.725 19.418 ( -0.581 0.000 0.285) 0.647 19.428 ( -0.110 0.000 -0.220) 0.246 19.574 ( 0.062 0.000 -1.235) 1.236 19.584 ( 0.181 0.000 1.285) 1.298 19.839 ( -0.430 0.000 -0.237) 0.491 19.877 ( 1.036 0.000 0.172) 1.050 20.049 ( -1.158 0.000 0.470) 1.249 20.053 ( -1.156 -0.000 -0.480) 1.252 20.233 ( -0.104 0.000 -0.924) 0.930 20.261 ( 0.796 0.000 0.889) 1.193 21.096 ( -1.906 0.000 -0.992) 2.149 21.171 ( 0.481 0.000 0.747) 0.888 21.428 ( 0.234 0.000 1.249) 1.270 21.453 ( 1.031 0.000 -1.165) 1.556 27.433 ( 0.347 0.000 0.085) 0.357 27.450 ( 0.939 0.000 -0.042) 0.940 27.547 ( -0.067 -0.000 0.446) 0.451 27.548 ( -0.011 0.000 -0.461) 0.461 28.451 ( -0.163 0.000 0.252) 0.300 28.458 ( 0.131 0.000 -0.208) 0.246 34.971 ( 2.472 0.000 -0.875) 2.622 35.016 ( 4.246 0.000 0.816) 4.324 36.179 ( -7.760 0.000 -2.262) 8.083 36.225 ( -5.857 0.000 1.915) 6.162 38.404 ( -3.188 -0.000 -1.559) 3.548 38.417 ( -1.761 0.000 5.504) 5.779 38.910 ( -11.227 -0.000 -0.253) 11.230 38.918 ( -14.088 0.000 -2.298) 14.274 40.111 ( -1.933 0.000 1.294) 2.326 40.286 ( -0.601 0.000 -5.561) 5.593 40.491 ( 13.832 0.000 1.682) 13.934 40.707 ( 14.517 -0.000 1.517) 14.596 ======================= Grid point 200 (89/90) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.555 0.000 1.910) 1.988 1.448 ( 1.372 0.000 -0.454) 1.445 1.625 ( -0.760 0.000 2.117) 2.249 1.707 ( -2.798 0.000 -1.597) 3.222 1.935 ( 6.524 0.000 -3.199) 7.266 1.977 ( 2.403 0.000 5.080) 5.619 2.199 ( -0.117 0.000 -1.798) 1.801 2.205 ( 0.877 -0.000 -2.809) 2.943 2.456 ( -14.719 0.000 0.293) 14.722 2.516 ( -16.710 -0.000 0.195) 16.711 2.578 ( -6.601 -0.000 3.231) 7.349 2.613 ( -8.809 -0.000 -4.709) 9.989 2.870 ( 3.724 0.000 -2.614) 4.550 2.993 ( -9.032 0.000 -0.125) 9.033 3.028 ( -1.068 -0.000 5.051) 5.162 3.100 ( -1.154 0.000 -1.196) 1.662 3.354 ( -10.895 0.000 1.672) 11.022 3.432 ( 6.578 -0.000 2.097) 6.905 3.513 ( -5.488 -0.000 -4.419) 7.046 3.601 ( 1.073 0.000 8.977) 9.041 3.869 ( 1.635 0.000 -5.389) 5.632 3.873 ( -0.718 -0.000 1.022) 1.249 3.965 ( -0.654 0.000 -0.831) 1.058 4.048 ( -1.182 0.000 -1.227) 1.704 4.137 ( -3.409 0.000 2.232) 4.075 4.280 ( -2.573 0.000 -2.338) 3.477 4.360 ( 6.054 -0.000 -2.249) 6.458 4.491 ( -3.371 0.000 2.203) 4.027 4.589 ( 0.841 0.000 2.623) 2.755 4.595 ( -3.704 -0.000 -6.497) 7.479 4.684 ( 2.483 0.000 0.773) 2.600 4.821 ( -0.495 0.000 2.126) 2.183 5.130 ( 3.421 0.000 3.934) 5.214 5.281 ( 4.879 0.000 -4.315) 6.513 5.643 ( 1.159 0.000 -2.772) 3.004 5.685 ( 2.616 0.000 0.352) 2.639 5.730 ( 0.161 -0.000 4.876) 4.879 5.920 ( -3.425 0.000 -2.710) 4.368 6.366 ( 0.973 0.000 7.589) 7.651 6.411 ( 0.058 0.000 -8.106) 8.106 6.685 ( 1.119 0.000 4.884) 5.011 6.821 ( 1.959 0.000 -3.902) 4.366 7.027 ( 5.449 -0.000 1.779) 5.732 7.068 ( 6.412 0.000 -0.919) 6.478 8.170 ( -2.938 0.000 1.061) 3.123 8.248 ( -5.945 0.000 -1.733) 6.193 9.021 ( 8.578 0.000 4.270) 9.582 9.081 ( 6.200 0.000 -3.627) 7.183 9.939 ( 0.494 0.000 -1.625) 1.699 9.969 ( 0.308 0.000 -0.847) 0.901 10.072 ( 0.028 0.000 0.942) 0.943 10.074 ( -0.003 -0.000 1.404) 1.404 11.489 ( 1.136 0.000 4.892) 5.023 11.557 ( 0.974 0.000 -5.692) 5.774 12.061 ( -0.796 -0.000 -2.461) 2.587 12.076 ( -1.565 0.000 3.138) 3.507 12.663 ( -1.331 0.000 1.312) 1.868 12.776 ( -2.853 -0.000 -1.628) 3.285 12.820 ( 3.109 0.000 -1.388) 3.405 12.948 ( 1.718 0.000 0.621) 1.827 13.277 ( 0.406 0.000 2.207) 2.244 13.443 ( -1.356 0.000 -1.802) 2.255 13.959 ( 0.437 0.000 1.638) 1.695 13.986 ( -0.127 0.000 -0.704) 0.715 14.129 ( -2.459 0.000 -0.067) 2.460 14.151 ( -2.305 -0.000 -0.233) 2.317 17.351 ( -1.631 0.000 1.126) 1.982 17.355 ( -1.736 -0.000 -1.112) 2.062 17.873 ( 3.364 -0.000 1.490) 3.680 17.879 ( 3.285 0.000 -1.349) 3.551 19.408 ( -0.400 0.000 0.440) 0.594 19.423 ( -0.388 0.000 -0.438) 0.585 19.577 ( 0.348 0.000 -0.959) 1.020 19.587 ( 0.008 -0.000 1.194) 1.194 19.839 ( 0.410 0.000 -0.166) 0.442 19.892 ( 0.246 0.000 -0.044) 0.250 20.023 ( -1.373 0.000 -0.903) 1.643 20.025 ( -1.099 -0.000 0.884) 1.410 20.235 ( 0.452 0.000 -1.656) 1.716 20.271 ( -0.036 0.000 1.771) 1.772 21.070 ( -0.288 0.000 -1.879) 1.901 21.160 ( -1.558 0.000 1.628) 2.253 21.444 ( 1.081 0.000 0.826) 1.360 21.470 ( 0.631 0.000 -0.867) 1.073 27.447 ( 0.875 0.000 0.368) 0.949 27.468 ( 0.767 0.000 -0.312) 0.828 27.546 ( -0.066 -0.000 0.421) 0.426 27.547 ( -0.100 0.000 -0.444) 0.455 28.449 ( 0.019 0.000 0.284) 0.285 28.459 ( -0.029 0.000 -0.239) 0.241 35.057 ( 5.705 0.000 -0.367) 5.716 35.127 ( 6.110 0.000 0.159) 6.112 35.978 ( -10.428 0.000 -0.466) 10.438 36.057 ( -9.851 -0.000 0.447) 9.861 38.313 ( -4.742 -0.000 -0.913) 4.829 38.385 ( -2.042 0.000 4.837) 5.251 38.596 ( -14.163 0.000 1.239) 14.217 38.681 ( -9.645 0.000 -3.833) 10.379 40.124 ( 2.468 0.000 3.420) 4.217 40.283 ( 0.156 0.000 -6.412) 6.414 40.788 ( 13.293 0.000 0.722) 13.312 40.963 ( 9.207 -0.000 1.087) 9.271 ======================= Grid point 202 (90/90) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.906 0.000 2.188) 2.368 1.464 ( 0.187 0.000 -1.107) 1.123 1.619 ( -0.123 0.000 3.127) 3.130 1.642 ( -2.379 -0.000 -3.106) 3.912 2.006 ( 0.162 0.000 3.879) 3.883 2.025 ( 0.485 0.000 -4.329) 4.356 2.140 ( -2.371 0.000 0.083) 2.372 2.174 ( -5.146 -0.000 -0.854) 5.217 2.240 ( -0.440 0.000 1.461) 1.525 2.298 ( -5.242 -0.000 -0.785) 5.300 2.496 ( -0.753 0.000 1.602) 1.770 2.521 ( -2.146 0.000 -2.627) 3.392 2.859 ( -2.396 0.000 2.318) 3.334 2.887 ( -2.595 0.000 -1.176) 2.849 3.039 ( 1.080 0.000 4.684) 4.807 3.067 ( -0.895 -0.000 -5.411) 5.484 3.226 ( -0.384 0.000 3.600) 3.620 3.323 ( -7.422 -0.000 -6.642) 9.960 3.630 ( 6.764 0.000 1.201) 6.870 3.665 ( 2.771 0.000 8.799) 9.225 3.836 ( -1.373 0.000 -6.604) 6.745 3.844 ( -2.043 0.000 -0.270) 2.060 3.985 ( 0.822 0.000 2.385) 2.523 4.012 ( -1.831 0.000 -1.898) 2.637 4.129 ( 2.336 0.000 5.231) 5.729 4.216 ( -4.071 0.000 -4.954) 6.412 4.430 ( 0.886 -0.000 -0.158) 0.900 4.433 ( -1.352 0.000 1.515) 2.031 4.527 ( -0.778 -0.000 -4.714) 4.777 4.558 ( -2.841 0.000 1.539) 3.231 4.749 ( 3.020 -0.000 -4.560) 5.469 4.792 ( -1.938 0.000 5.614) 5.939 5.233 ( 5.151 0.000 3.975) 6.506 5.313 ( -1.364 0.000 -4.568) 4.767 5.663 ( 1.662 0.000 2.213) 2.767 5.710 ( -2.272 0.000 1.086) 2.518 5.773 ( 4.165 0.000 -1.698) 4.498 5.844 ( -3.180 -0.000 -0.893) 3.303 6.405 ( 1.193 -0.000 5.505) 5.632 6.415 ( 0.592 0.000 -6.518) 6.545 6.740 ( 3.268 0.000 7.876) 8.527 6.811 ( -2.129 0.000 -7.099) 7.411 7.121 ( 3.154 -0.000 1.499) 3.492 7.146 ( 1.152 0.000 -0.927) 1.479 8.135 ( -0.546 -0.000 1.969) 2.044 8.156 ( -2.539 0.000 -2.167) 3.338 9.154 ( 3.418 0.000 4.666) 5.784 9.169 ( 2.293 0.000 -4.455) 5.010 9.952 ( 0.744 0.000 -0.066) 0.747 9.966 ( -0.470 0.000 -1.070) 1.169 10.077 ( 0.197 -0.000 0.585) 0.618 10.077 ( 0.112 0.000 0.515) 0.527 11.525 ( 1.527 0.000 6.174) 6.360 11.555 ( -0.529 -0.000 -6.519) 6.540 12.047 ( -0.136 -0.000 -3.902) 3.904 12.051 ( -1.031 0.000 4.228) 4.352 12.661 ( 0.957 0.000 2.939) 3.090 12.707 ( -3.017 -0.000 -3.304) 4.475 12.892 ( 3.621 0.000 -2.717) 4.527 12.948 ( -1.739 -0.000 2.619) 3.144 13.319 ( 3.082 0.000 1.872) 3.606 13.391 ( -3.253 0.000 -1.779) 3.707 13.970 ( 0.391 0.000 0.980) 1.055 13.978 ( -0.414 0.000 -0.475) 0.630 14.098 ( -0.409 0.000 1.236) 1.302 14.111 ( -1.368 -0.000 -1.431) 1.980 17.329 ( -0.614 0.000 0.978) 1.154 17.329 ( -0.584 -0.000 -0.968) 1.131 17.925 ( 1.305 -0.000 1.469) 1.965 17.927 ( 1.286 0.000 -1.425) 1.919 19.405 ( 0.134 0.000 0.618) 0.633 19.413 ( -0.458 0.000 -0.639) 0.786 19.584 ( 0.307 0.000 -0.868) 0.920 19.587 ( -0.140 0.000 1.018) 1.027 19.856 ( 1.227 0.000 0.183) 1.241 19.883 ( -1.077 0.000 -0.336) 1.128 20.004 ( -0.263 0.000 -1.028) 1.061 20.008 ( -0.615 -0.000 1.041) 1.209 20.247 ( 0.874 0.000 -2.284) 2.446 20.264 ( -0.813 0.000 2.392) 2.526 21.081 ( 1.502 0.000 -2.434) 2.860 21.120 ( -2.275 0.000 2.314) 3.245 21.466 ( 0.791 0.000 0.600) 0.993 21.476 ( -0.047 0.000 -0.643) 0.645 27.466 ( 0.783 -0.000 0.606) 0.990 27.476 ( -0.043 0.000 -0.588) 0.590 27.545 ( -0.012 0.000 -0.376) 0.376 27.545 ( -0.083 -0.000 0.372) 0.381 28.452 ( 0.187 0.000 0.303) 0.356 28.456 ( -0.180 0.000 -0.287) 0.339 35.186 ( 5.802 0.000 0.527) 5.826 35.232 ( 2.464 0.000 -0.857) 2.609 35.807 ( -4.156 0.000 1.502) 4.419 35.859 ( -7.866 0.000 -1.199) 7.956 38.245 ( -0.814 -0.000 -0.264) 0.856 38.299 ( -5.654 0.000 -1.054) 5.751 38.452 ( -0.230 0.000 8.839) 8.842 38.519 ( -5.343 0.000 -7.079) 8.869 40.196 ( 3.387 0.000 5.861) 6.769 40.260 ( -1.852 0.000 -6.970) 7.212 41.005 ( 7.155 0.000 0.457) 7.170 41.071 ( 0.978 -0.000 0.208) 1.000 =================== 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 3/28560 10.0 41.874 54.590 41.136 0.000 17.597 0.000 3/28560 20.0 12.927 17.577 12.672 0.000 6.418 0.000 3/28560 30.0 6.715 9.588 6.617 0.000 3.293 0.000 3/28560 40.0 4.558 6.633 4.437 0.000 2.165 0.000 3/28560 50.0 3.487 5.119 3.349 0.000 1.604 0.000 3/28560 60.0 2.838 4.189 2.700 0.000 1.272 0.000 3/28560 70.0 2.398 3.552 2.267 0.000 1.052 0.000 3/28560 80.0 2.079 3.087 1.957 0.000 0.898 0.000 3/28560 90.0 1.837 2.731 1.723 0.000 0.782 0.000 3/28560 100.0 1.646 2.449 1.541 0.000 0.694 0.000 3/28560 110.0 1.491 2.221 1.394 0.000 0.623 0.000 3/28560 120.0 1.364 2.033 1.274 0.000 0.566 0.000 3/28560 130.0 1.257 1.875 1.173 0.000 0.518 0.000 3/28560 140.0 1.166 1.740 1.088 0.000 0.478 0.000 3/28560 150.0 1.088 1.624 1.014 0.000 0.444 0.000 3/28560 160.0 1.020 1.523 0.950 0.000 0.414 0.000 3/28560 170.0 0.960 1.434 0.894 0.000 0.388 0.000 3/28560 180.0 0.907 1.355 0.844 0.000 0.366 0.000 3/28560 190.0 0.859 1.284 0.799 0.000 0.345 0.000 3/28560 200.0 0.817 1.221 0.759 0.000 0.327 0.000 3/28560 210.0 0.778 1.164 0.723 0.000 0.311 0.000 3/28560 220.0 0.743 1.112 0.691 0.000 0.296 0.000 3/28560 230.0 0.712 1.065 0.661 0.000 0.283 0.000 3/28560 240.0 0.683 1.022 0.634 0.000 0.271 0.000 3/28560 250.0 0.656 0.982 0.609 0.000 0.260 0.000 3/28560 260.0 0.632 0.946 0.586 0.000 0.249 0.000 3/28560 270.0 0.609 0.912 0.564 0.000 0.240 0.000 3/28560 280.0 0.589 0.881 0.544 0.000 0.231 0.000 3/28560 290.0 0.569 0.852 0.526 0.000 0.223 0.000 3/28560 300.0 0.551 0.825 0.509 0.000 0.216 0.000 3/28560 310.0 0.535 0.800 0.493 0.000 0.208 0.000 3/28560 320.0 0.519 0.776 0.478 0.000 0.202 0.000 3/28560 330.0 0.505 0.754 0.464 0.000 0.196 0.000 3/28560 340.0 0.491 0.733 0.451 0.000 0.190 0.000 3/28560 350.0 0.479 0.714 0.438 0.000 0.184 0.000 3/28560 360.0 0.467 0.695 0.426 0.000 0.179 0.000 3/28560 370.0 0.455 0.678 0.415 0.000 0.174 0.000 3/28560 380.0 0.445 0.662 0.405 0.000 0.170 0.000 3/28560 390.0 0.435 0.646 0.395 0.000 0.165 0.000 3/28560 400.0 0.425 0.632 0.385 0.000 0.161 0.000 3/28560 410.0 0.416 0.618 0.376 0.000 0.157 0.000 3/28560 420.0 0.408 0.604 0.368 0.000 0.154 0.000 3/28560 430.0 0.399 0.592 0.360 0.000 0.150 0.000 3/28560 440.0 0.392 0.580 0.352 0.000 0.147 0.000 3/28560 450.0 0.384 0.568 0.345 0.000 0.144 0.000 3/28560 460.0 0.377 0.557 0.337 0.000 0.140 0.000 3/28560 470.0 0.371 0.547 0.331 0.000 0.137 0.000 3/28560 480.0 0.364 0.537 0.324 0.000 0.135 0.000 3/28560 490.0 0.358 0.527 0.318 0.000 0.132 0.000 3/28560 500.0 0.352 0.518 0.312 0.000 0.129 0.000 3/28560 510.0 0.347 0.509 0.306 0.000 0.127 0.000 3/28560 520.0 0.341 0.501 0.301 0.000 0.124 0.000 3/28560 530.0 0.336 0.492 0.295 0.000 0.122 0.000 3/28560 540.0 0.331 0.485 0.290 0.000 0.120 0.000 3/28560 550.0 0.326 0.477 0.285 0.000 0.118 0.000 3/28560 560.0 0.321 0.470 0.280 0.000 0.116 0.000 3/28560 570.0 0.317 0.462 0.276 0.000 0.114 0.000 3/28560 580.0 0.313 0.456 0.271 0.000 0.112 0.000 3/28560 590.0 0.308 0.449 0.267 0.000 0.110 0.000 3/28560 600.0 0.304 0.443 0.263 0.000 0.108 0.000 3/28560 610.0 0.300 0.436 0.259 0.000 0.106 0.000 3/28560 620.0 0.296 0.430 0.255 0.000 0.105 0.000 3/28560 630.0 0.293 0.425 0.251 0.000 0.103 0.000 3/28560 640.0 0.289 0.419 0.248 0.000 0.102 0.000 3/28560 650.0 0.286 0.413 0.244 0.000 0.100 0.000 3/28560 660.0 0.282 0.408 0.241 0.000 0.099 0.000 3/28560 670.0 0.279 0.403 0.237 0.000 0.097 0.000 3/28560 680.0 0.276 0.398 0.234 0.000 0.096 0.000 3/28560 690.0 0.273 0.393 0.231 0.000 0.094 0.000 3/28560 700.0 0.270 0.388 0.228 0.000 0.093 0.000 3/28560 710.0 0.267 0.384 0.225 0.000 0.092 0.000 3/28560 720.0 0.264 0.379 0.222 0.000 0.091 0.000 3/28560 730.0 0.261 0.375 0.219 0.000 0.089 0.000 3/28560 740.0 0.258 0.370 0.217 0.000 0.088 0.000 3/28560 750.0 0.255 0.366 0.214 0.000 0.087 0.000 3/28560 760.0 0.253 0.362 0.211 0.000 0.086 0.000 3/28560 770.0 0.250 0.358 0.209 0.000 0.085 0.000 3/28560 780.0 0.248 0.354 0.206 0.000 0.084 0.000 3/28560 790.0 0.245 0.350 0.204 0.000 0.083 0.000 3/28560 800.0 0.243 0.347 0.201 0.000 0.082 0.000 3/28560 810.0 0.241 0.343 0.199 0.000 0.081 0.000 3/28560 820.0 0.238 0.340 0.197 0.000 0.080 0.000 3/28560 830.0 0.236 0.336 0.195 0.000 0.079 0.000 3/28560 840.0 0.234 0.333 0.193 0.000 0.078 0.000 3/28560 850.0 0.232 0.329 0.191 0.000 0.077 0.000 3/28560 860.0 0.229 0.326 0.188 0.000 0.076 0.000 3/28560 870.0 0.227 0.323 0.186 0.000 0.076 0.000 3/28560 880.0 0.225 0.320 0.185 0.000 0.075 0.000 3/28560 890.0 0.223 0.317 0.183 0.000 0.074 0.000 3/28560 900.0 0.221 0.314 0.181 0.000 0.073 0.000 3/28560 910.0 0.220 0.311 0.179 0.000 0.072 0.000 3/28560 920.0 0.218 0.308 0.177 0.000 0.072 0.000 3/28560 930.0 0.216 0.305 0.175 0.000 0.071 0.000 3/28560 940.0 0.214 0.302 0.174 0.000 0.070 0.000 3/28560 950.0 0.212 0.300 0.172 0.000 0.069 0.000 3/28560 960.0 0.210 0.297 0.170 0.000 0.069 0.000 3/28560 970.0 0.209 0.294 0.169 0.000 0.068 0.000 3/28560 980.0 0.207 0.292 0.167 0.000 0.067 0.000 3/28560 990.0 0.205 0.289 0.165 0.000 0.067 0.000 3/28560 1000.0 0.204 0.287 0.164 0.000 0.066 0.000 3/28560 Thermal conductivity related properties were written into "kappa-m7104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:44:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|