----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:48:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.348657050193442 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): *1 H 0.28134270750220 0.16670021360925 0.29215169625181 1.008 2 H 0.71865729249780 0.66670021360925 0.20784830374819 1.008 3 H 0.71865729249780 0.83329978639075 0.70784830374819 1.008 4 H 0.28134270750220 0.33329978639075 0.79215169625181 1.008 *5 H 0.69873093321850 0.53755069774045 0.75887735946295 1.008 6 H 0.30126906678150 0.03755069774045 0.74112264053705 1.008 *7 H 0.75537828285509 0.28835049102839 0.01090710831511 1.008 8 H 0.24462171714491 0.78835049102839 0.48909289168489 1.008 9 H 0.24462171714491 0.71164950897161 0.98909289168489 1.008 10 H 0.75537828285509 0.21164950897161 0.51090710831511 1.008 *11 H 0.63581119467540 0.40588948055965 0.36470358071916 1.008 12 H 0.36418880532460 0.90588948055965 0.13529641928084 1.008 13 H 0.36418880532460 0.59411051944035 0.63529641928084 1.008 14 H 0.63581119467540 0.09411051944035 0.86470358071916 1.008 *15 H 0.95020461585592 0.42857697299060 0.19561054244887 1.008 16 H 0.04979538414408 0.92857697299060 0.30438945755113 1.008 17 H 0.04979538414408 0.57142302700940 0.80438945755113 1.008 18 H 0.95020461585592 0.07142302700940 0.69561054244887 1.008 *19 H 0.23751312616726 0.22205979360093 0.02421013554413 1.008 20 H 0.76248687383274 0.72205979360093 0.47578986445587 1.008 21 H 0.76248687383274 0.77794020639907 0.97578986445587 1.008 22 H 0.23751312616726 0.27794020639907 0.52421013554413 1.008 23 H 0.30126906678150 0.46244930225955 0.24112264053705 1.008 24 H 0.69873093321850 0.96244930225955 0.25887735946295 1.008 *25 O 0.34765087996002 0.32588261540267 0.91606330512150 15.999 26 O 0.65234912003998 0.82588261540268 0.58393669487850 15.999 27 O 0.65234912003998 0.67411738459732 0.08393669487850 15.999 28 O 0.34765087996002 0.17411738459733 0.41606330512150 15.999 *29 O 0.54446450105442 0.95047150423224 0.27950838964552 15.999 30 O 0.45553549894558 0.45047150423224 0.22049161035448 15.999 *31 O 0.76792875243475 0.39547068409891 0.04759206254694 15.999 32 O 0.23207124756525 0.89547068409891 0.45240793745306 15.999 33 O 0.23207124756525 0.60452931590109 0.95240793745306 15.999 34 O 0.76792875243475 0.10452931590109 0.54759206254694 15.999 *35 O 0.75483237057292 0.12810526396488 0.95920763303745 15.999 36 O 0.24516762942708 0.62810526396488 0.54079236696255 15.999 37 O 0.24516762942708 0.87189473603512 0.04079236696255 15.999 38 O 0.75483237057292 0.37189473603512 0.45920763303745 15.999 *39 O 0.07727399397337 0.45521479777186 0.28766032456158 15.999 40 O 0.92272600602663 0.95521479777186 0.21233967543842 15.999 41 O 0.92272600602663 0.54478520222814 0.71233967543842 15.999 42 O 0.07727399397337 0.04478520222814 0.78766032456158 15.999 *43 O 0.17012226345780 0.34058227936961 0.60524350945659 15.999 44 O 0.82987773654220 0.84058227936961 0.89475649054341 15.999 45 O 0.82987773654220 0.65941772063039 0.39475649054341 15.999 46 O 0.17012226345780 0.15941772063039 0.10524350945659 15.999 47 O 0.45553549894558 0.04952849576776 0.72049161035448 15.999 48 O 0.54446450105442 0.54952849576776 0.77950838964552 15.999 *49 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 50 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 *51 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 52 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.348657050193442 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): *1 H 0.28134270750220 0.16670021360925 0.29215169625181 1.008 > 1 2 H 0.71865729249780 0.66670021360925 0.20784830374819 1.008 > 2 3 H 0.71865729249780 0.83329978639075 0.70784830374819 1.008 > 3 4 H 0.28134270750220 0.33329978639075 0.79215169625181 1.008 > 4 *5 H 0.69873093321850 0.53755069774045 0.75887735946295 1.008 > 5 6 H 0.30126906678150 0.03755069774045 0.74112264053705 1.008 > 6 *7 H 0.75537828285509 0.28835049102839 0.01090710831511 1.008 > 7 8 H 0.24462171714491 0.78835049102839 0.48909289168489 1.008 > 8 9 H 0.24462171714491 0.71164950897161 0.98909289168489 1.008 > 9 10 H 0.75537828285509 0.21164950897161 0.51090710831511 1.008 > 10 *11 H 0.63581119467540 0.40588948055965 0.36470358071916 1.008 > 11 12 H 0.36418880532460 0.90588948055965 0.13529641928084 1.008 > 12 13 H 0.36418880532460 0.59411051944035 0.63529641928084 1.008 > 13 14 H 0.63581119467540 0.09411051944035 0.86470358071916 1.008 > 14 *15 H 0.95020461585592 0.42857697299060 0.19561054244887 1.008 > 15 16 H 0.04979538414408 0.92857697299060 0.30438945755113 1.008 > 16 17 H 0.04979538414408 0.57142302700940 0.80438945755113 1.008 > 17 18 H 0.95020461585592 0.07142302700940 0.69561054244887 1.008 > 18 *19 H 0.23751312616726 0.22205979360093 0.02421013554413 1.008 > 19 20 H 0.76248687383274 0.72205979360093 0.47578986445587 1.008 > 20 21 H 0.76248687383274 0.77794020639907 0.97578986445587 1.008 > 21 22 H 0.23751312616726 0.27794020639907 0.52421013554413 1.008 > 22 23 H 0.30126906678150 0.46244930225955 0.24112264053705 1.008 > 23 24 H 0.69873093321850 0.96244930225955 0.25887735946295 1.008 > 24 *25 O 0.34765087996002 0.32588261540267 0.91606330512150 15.999 > 25 26 O 0.65234912003998 0.82588261540268 0.58393669487850 15.999 > 26 27 O 0.65234912003998 0.67411738459732 0.08393669487850 15.999 > 27 28 O 0.34765087996002 0.17411738459733 0.41606330512150 15.999 > 28 *29 O 0.54446450105442 0.95047150423224 0.27950838964552 15.999 > 29 30 O 0.45553549894558 0.45047150423224 0.22049161035448 15.999 > 30 *31 O 0.76792875243475 0.39547068409891 0.04759206254694 15.999 > 31 32 O 0.23207124756525 0.89547068409891 0.45240793745306 15.999 > 32 33 O 0.23207124756525 0.60452931590109 0.95240793745306 15.999 > 33 34 O 0.76792875243475 0.10452931590109 0.54759206254694 15.999 > 34 *35 O 0.75483237057292 0.12810526396488 0.95920763303745 15.999 > 35 36 O 0.24516762942708 0.62810526396488 0.54079236696255 15.999 > 36 37 O 0.24516762942708 0.87189473603512 0.04079236696255 15.999 > 37 38 O 0.75483237057292 0.37189473603512 0.45920763303745 15.999 > 38 *39 O 0.07727399397337 0.45521479777186 0.28766032456158 15.999 > 39 40 O 0.92272600602663 0.95521479777186 0.21233967543842 15.999 > 40 41 O 0.92272600602663 0.54478520222814 0.71233967543842 15.999 > 41 42 O 0.07727399397337 0.04478520222814 0.78766032456158 15.999 > 42 *43 O 0.17012226345780 0.34058227936961 0.60524350945659 15.999 > 43 44 O 0.82987773654220 0.84058227936961 0.89475649054341 15.999 > 44 45 O 0.82987773654220 0.65941772063039 0.39475649054341 15.999 > 45 46 O 0.17012226345780 0.15941772063039 0.10524350945659 15.999 > 46 47 O 0.45553549894558 0.04952849576776 0.72049161035448 15.999 > 47 48 O 0.54446450105442 0.54952849576776 0.77950838964552 15.999 > 48 *49 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 50 *51 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 51 52 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.697314100386883 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): *1 H 0.14067135375110 0.16670021360925 0.29215169625181 1.008 > 1 2 H 0.64067135375110 0.16670021360925 0.29215169625181 1.008 > 1 3 H 0.35932864624890 0.66670021360925 0.20784830374819 1.008 > 2 4 H 0.85932864624890 0.66670021360925 0.20784830374819 1.008 > 2 5 H 0.35932864624890 0.83329978639075 0.70784830374819 1.008 > 3 6 H 0.85932864624890 0.83329978639075 0.70784830374819 1.008 > 3 7 H 0.14067135375110 0.33329978639075 0.79215169625181 1.008 > 4 8 H 0.64067135375110 0.33329978639075 0.79215169625181 1.008 > 4 *9 H 0.34936546660925 0.53755069774045 0.75887735946295 1.008 > 5 10 H 0.84936546660925 0.53755069774045 0.75887735946295 1.008 > 5 11 H 0.15063453339075 0.03755069774045 0.74112264053705 1.008 > 6 12 H 0.65063453339075 0.03755069774045 0.74112264053705 1.008 > 6 *13 H 0.37768914142755 0.28835049102839 0.01090710831511 1.008 > 7 14 H 0.87768914142755 0.28835049102839 0.01090710831511 1.008 > 7 15 H 0.12231085857245 0.78835049102839 0.48909289168489 1.008 > 8 16 H 0.62231085857245 0.78835049102839 0.48909289168489 1.008 > 8 17 H 0.12231085857245 0.71164950897161 0.98909289168489 1.008 > 9 18 H 0.62231085857245 0.71164950897161 0.98909289168489 1.008 > 9 19 H 0.37768914142755 0.21164950897161 0.51090710831511 1.008 > 10 20 H 0.87768914142755 0.21164950897161 0.51090710831511 1.008 > 10 *21 H 0.31790559733770 0.40588948055965 0.36470358071916 1.008 > 11 22 H 0.81790559733770 0.40588948055965 0.36470358071916 1.008 > 11 23 H 0.18209440266230 0.90588948055965 0.13529641928084 1.008 > 12 24 H 0.68209440266230 0.90588948055965 0.13529641928084 1.008 > 12 25 H 0.18209440266230 0.59411051944035 0.63529641928084 1.008 > 13 26 H 0.68209440266230 0.59411051944035 0.63529641928084 1.008 > 13 27 H 0.31790559733770 0.09411051944035 0.86470358071916 1.008 > 14 28 H 0.81790559733770 0.09411051944035 0.86470358071916 1.008 > 14 *29 H 0.47510230792796 0.42857697299060 0.19561054244887 1.008 > 15 30 H 0.97510230792796 0.42857697299060 0.19561054244887 1.008 > 15 31 H 0.02489769207204 0.92857697299060 0.30438945755113 1.008 > 16 32 H 0.52489769207204 0.92857697299060 0.30438945755113 1.008 > 16 33 H 0.02489769207204 0.57142302700940 0.80438945755113 1.008 > 17 34 H 0.52489769207204 0.57142302700940 0.80438945755113 1.008 > 17 35 H 0.47510230792796 0.07142302700940 0.69561054244887 1.008 > 18 36 H 0.97510230792796 0.07142302700940 0.69561054244887 1.008 > 18 *37 H 0.11875656308363 0.22205979360093 0.02421013554413 1.008 > 19 38 H 0.61875656308363 0.22205979360093 0.02421013554413 1.008 > 19 39 H 0.38124343691637 0.72205979360093 0.47578986445587 1.008 > 20 40 H 0.88124343691637 0.72205979360093 0.47578986445587 1.008 > 20 41 H 0.38124343691637 0.77794020639907 0.97578986445587 1.008 > 21 42 H 0.88124343691637 0.77794020639907 0.97578986445587 1.008 > 21 43 H 0.11875656308363 0.27794020639907 0.52421013554413 1.008 > 22 44 H 0.61875656308363 0.27794020639907 0.52421013554413 1.008 > 22 45 H 0.15063453339075 0.46244930225955 0.24112264053705 1.008 > 23 46 H 0.65063453339075 0.46244930225955 0.24112264053705 1.008 > 23 47 H 0.34936546660925 0.96244930225955 0.25887735946295 1.008 > 24 48 H 0.84936546660925 0.96244930225955 0.25887735946295 1.008 > 24 *49 O 0.17382543998001 0.32588261540267 0.91606330512150 15.999 > 25 50 O 0.67382543998001 0.32588261540267 0.91606330512150 15.999 > 25 51 O 0.32617456001999 0.82588261540268 0.58393669487850 15.999 > 26 52 O 0.82617456001999 0.82588261540268 0.58393669487850 15.999 > 26 53 O 0.32617456001999 0.67411738459732 0.08393669487850 15.999 > 27 54 O 0.82617456001999 0.67411738459732 0.08393669487850 15.999 > 27 55 O 0.17382543998001 0.17411738459733 0.41606330512150 15.999 > 28 56 O 0.67382543998001 0.17411738459733 0.41606330512150 15.999 > 28 *57 O 0.27223225052721 0.95047150423224 0.27950838964552 15.999 > 29 58 O 0.77223225052721 0.95047150423224 0.27950838964552 15.999 > 29 59 O 0.22776774947279 0.45047150423224 0.22049161035448 15.999 > 30 60 O 0.72776774947279 0.45047150423224 0.22049161035448 15.999 > 30 *61 O 0.38396437621737 0.39547068409891 0.04759206254694 15.999 > 31 62 O 0.88396437621737 0.39547068409891 0.04759206254694 15.999 > 31 63 O 0.11603562378263 0.89547068409891 0.45240793745306 15.999 > 32 64 O 0.61603562378263 0.89547068409891 0.45240793745306 15.999 > 32 65 O 0.11603562378263 0.60452931590109 0.95240793745306 15.999 > 33 66 O 0.61603562378263 0.60452931590109 0.95240793745306 15.999 > 33 67 O 0.38396437621737 0.10452931590109 0.54759206254694 15.999 > 34 68 O 0.88396437621737 0.10452931590109 0.54759206254694 15.999 > 34 *69 O 0.37741618528646 0.12810526396488 0.95920763303745 15.999 > 35 70 O 0.87741618528646 0.12810526396488 0.95920763303745 15.999 > 35 71 O 0.12258381471354 0.62810526396488 0.54079236696255 15.999 > 36 72 O 0.62258381471354 0.62810526396488 0.54079236696255 15.999 > 36 73 O 0.12258381471354 0.87189473603512 0.04079236696255 15.999 > 37 74 O 0.62258381471354 0.87189473603512 0.04079236696255 15.999 > 37 75 O 0.37741618528646 0.37189473603512 0.45920763303745 15.999 > 38 76 O 0.87741618528646 0.37189473603512 0.45920763303745 15.999 > 38 *77 O 0.03863699698669 0.45521479777186 0.28766032456158 15.999 > 39 78 O 0.53863699698669 0.45521479777186 0.28766032456158 15.999 > 39 79 O 0.46136300301331 0.95521479777186 0.21233967543842 15.999 > 40 80 O 0.96136300301331 0.95521479777186 0.21233967543842 15.999 > 40 81 O 0.46136300301331 0.54478520222814 0.71233967543842 15.999 > 41 82 O 0.96136300301331 0.54478520222814 0.71233967543842 15.999 > 41 83 O 0.03863699698669 0.04478520222814 0.78766032456158 15.999 > 42 84 O 0.53863699698669 0.04478520222814 0.78766032456158 15.999 > 42 *85 O 0.08506113172890 0.34058227936961 0.60524350945659 15.999 > 43 86 O 0.58506113172890 0.34058227936961 0.60524350945659 15.999 > 43 87 O 0.41493886827110 0.84058227936961 0.89475649054341 15.999 > 44 88 O 0.91493886827110 0.84058227936961 0.89475649054341 15.999 > 44 89 O 0.41493886827110 0.65941772063039 0.39475649054341 15.999 > 45 90 O 0.91493886827110 0.65941772063039 0.39475649054341 15.999 > 45 91 O 0.08506113172890 0.15941772063039 0.10524350945659 15.999 > 46 92 O 0.58506113172890 0.15941772063039 0.10524350945659 15.999 > 46 93 O 0.22776774947279 0.04952849576776 0.72049161035448 15.999 > 47 94 O 0.72776774947279 0.04952849576776 0.72049161035448 15.999 > 47 95 O 0.27223225052721 0.54952849576776 0.77950838964552 15.999 > 48 96 O 0.77223225052721 0.54952849576776 0.77950838964552 15.999 > 48 *97 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 49 98 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 49 99 Te 0.25000000000000 0.00000000000000 0.50000000000000 127.600 > 50 100 Te 0.75000000000000 0.00000000000000 0.50000000000000 127.600 > 50 *101 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 51 102 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 51 103 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 52 104 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8584593 0.0000000 0.1095168 0.0000000 2.7864829 0.0000000 0.1095158 0.0000000 2.9157957 -------------------------- Born effective charges -------------------------- 1 H 0.3815211 0.0626403 0.5557585 0.0375084 0.2700014 -0.0250244 0.3637020 0.1062485 1.7192250 2 H 0.3815211 -0.0626403 0.5557585 -0.0375084 0.2700014 0.0250244 0.3637020 -0.1062485 1.7192250 3 H 0.3815211 0.0626403 0.5557585 0.0375084 0.2700014 -0.0250244 0.3637020 0.1062485 1.7192250 4 H 0.3815211 -0.0626403 0.5557585 -0.0375084 0.2700014 0.0250244 0.3637020 -0.1062485 1.7192250 5 H 1.8549822 -0.0315322 -0.3702714 0.0544612 0.3141777 -0.0033706 -0.8670068 0.0418286 0.3834858 6 H 1.8549822 0.0315322 -0.3702714 -0.0544612 0.3141777 0.0033706 -0.8670068 -0.0418286 0.3834858 7 H 0.2706705 -0.5876159 -0.2021793 -0.0435900 1.9020052 0.5040360 -0.0479458 0.3846971 0.3322935 8 H 0.2706705 0.5876159 -0.2021793 0.0435900 1.9020052 -0.5040360 -0.0479458 -0.3846971 0.3322935 9 H 0.2706705 -0.5876159 -0.2021793 -0.0435900 1.9020052 0.5040360 -0.0479458 0.3846971 0.3322935 10 H 0.2706705 0.5876159 -0.2021793 0.0435900 1.9020052 -0.5040360 -0.0479458 -0.3846971 0.3322935 11 H 0.8716021 -0.3313319 0.7846207 -0.1368994 0.2908901 -0.1693326 0.7447139 -0.3587424 1.2142535 12 H 0.8716021 0.3313319 0.7846207 0.1368994 0.2908901 0.1693326 0.7447139 0.3587424 1.2142535 13 H 0.8716021 -0.3313319 0.7846207 -0.1368994 0.2908901 -0.1693326 0.7447139 -0.3587424 1.2142535 14 H 0.8716021 0.3313319 0.7846207 0.1368994 0.2908901 0.1693326 0.7447139 0.3587424 1.2142535 15 H 0.8401387 0.2051359 0.7221682 0.1498205 0.3315069 0.1660889 0.9361841 0.3085976 1.2397471 16 H 0.8401387 -0.2051359 0.7221682 -0.1498205 0.3315069 -0.1660889 0.9361841 -0.3085976 1.2397471 17 H 0.8401387 0.2051359 0.7221682 0.1498205 0.3315069 0.1660889 0.9361841 0.3085976 1.2397471 18 H 0.8401387 -0.2051359 0.7221682 -0.1498205 0.3315069 -0.1660889 0.9361841 -0.3085976 1.2397471 19 H 0.7806961 0.5624943 -0.6128307 0.7325209 1.1294877 -0.8334376 -0.3489537 -0.3477312 0.5794838 20 H 0.7806961 -0.5624943 -0.6128307 -0.7325209 1.1294877 0.8334376 -0.3489537 0.3477312 0.5794838 21 H 0.7806961 0.5624943 -0.6128307 0.7325209 1.1294877 -0.8334376 -0.3489537 -0.3477312 0.5794838 22 H 0.7806961 -0.5624943 -0.6128307 -0.7325209 1.1294877 0.8334376 -0.3489537 0.3477312 0.5794838 23 H 1.8549822 -0.0315322 -0.3702714 0.0544612 0.3141777 -0.0033706 -0.8670068 0.0418286 0.3834858 24 H 1.8549822 0.0315322 -0.3702714 -0.0544612 0.3141777 0.0033706 -0.8670068 -0.0418286 0.3834858 25 O -1.2709137 -0.4865143 -0.2714760 -0.4967300 -1.6064480 0.0189312 -0.2233184 -0.0555409 -1.8769492 26 O -1.2709137 0.4865143 -0.2714760 0.4967300 -1.6064480 -0.0189312 -0.2233184 0.0555409 -1.8769492 27 O -1.2709137 -0.4865143 -0.2714760 -0.4967300 -1.6064480 0.0189312 -0.2233184 -0.0555409 -1.8769492 28 O -1.2709137 0.4865143 -0.2714760 0.4967300 -1.6064480 -0.0189312 -0.2233184 0.0555409 -1.8769492 29 O -2.0276861 -0.0367593 0.0948821 0.0812852 -0.9238988 -0.2829566 0.3790138 -0.2479554 -1.8693195 30 O -2.0276861 0.0367593 0.0948821 -0.0812852 -0.9238988 0.2829566 0.3790138 0.2479554 -1.8693195 31 O -1.5100515 0.5601508 -0.3251890 0.2962208 -1.9095335 -0.2588518 -0.4728530 -0.1739611 -1.3492440 32 O -1.5100515 -0.5601508 -0.3251890 -0.2962208 -1.9095335 0.2588518 -0.4728530 0.1739611 -1.3492440 33 O -1.5100515 0.5601508 -0.3251890 0.2962208 -1.9095335 -0.2588518 -0.4728530 -0.1739611 -1.3492440 34 O -1.5100515 -0.5601508 -0.3251890 -0.2962208 -1.9095335 0.2588518 -0.4728530 0.1739611 -1.3492440 35 O -1.6274843 0.3370897 -0.4875922 0.3266569 -1.6749913 -0.1569489 -0.5093346 -0.2595184 -1.4136746 36 O -1.6274843 -0.3370897 -0.4875922 -0.3266569 -1.6749913 0.1569489 -0.5093346 0.2595184 -1.4136746 37 O -1.6274843 0.3370897 -0.4875922 0.3266569 -1.6749913 -0.1569489 -0.5093346 -0.2595184 -1.4136746 38 O -1.6274843 -0.3370897 -0.4875922 -0.3266569 -1.6749913 0.1569489 -0.5093346 0.2595184 -1.4136746 39 O -1.8394052 -0.0211080 0.0081996 -0.0388364 -0.8809206 -0.2219245 -0.0048035 -0.3127386 -2.0814838 40 O -1.8394052 0.0211080 0.0081996 0.0388364 -0.8809206 0.2219245 -0.0048035 0.3127386 -2.0814838 41 O -1.8394052 -0.0211080 0.0081996 -0.0388364 -0.8809206 -0.2219245 -0.0048035 -0.3127386 -2.0814838 42 O -1.8394052 0.0211080 0.0081996 0.0388364 -0.8809206 0.2219245 -0.0048035 0.3127386 -2.0814838 43 O -1.3190388 0.5581970 -0.0267167 0.6576642 -1.7811284 -0.2339271 -0.1856610 0.0438627 -1.6805115 44 O -1.3190388 -0.5581970 -0.0267167 -0.6576642 -1.7811284 0.2339271 -0.1856610 -0.0438627 -1.6805115 45 O -1.3190388 0.5581970 -0.0267167 0.6576642 -1.7811284 -0.2339271 -0.1856610 0.0438627 -1.6805115 46 O -1.3190388 -0.5581970 -0.0267167 -0.6576642 -1.7811284 0.2339271 -0.1856610 -0.0438627 -1.6805115 47 O -2.0276861 -0.0367593 0.0948821 0.0812852 -0.9238988 -0.2829566 0.3790138 -0.2479554 -1.8693195 48 O -2.0276861 0.0367593 0.0948821 -0.0812852 -0.9238988 0.2829566 0.3790138 0.2479554 -1.8693195 49 Te 4.5983634 0.1447211 0.0245714 -0.1550801 4.5753563 -0.0135141 0.1961228 0.0358870 4.7621989 50 Te 4.5983634 -0.1447211 0.0245714 0.1550801 4.5753563 0.0135141 0.1961228 -0.0358870 4.7621989 51 Te 4.5915747 -0.1632823 0.2366812 -0.0001318 4.5023470 0.1225190 0.2764032 0.2389672 4.8431889 52 Te 4.5915747 0.1632823 0.2366812 0.0001318 4.5023470 -0.1225190 0.2764032 -0.2389672 4.8431889 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6258 Number of blocks in projector: 6258 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: 1356 Use submatrix version of eigh solver. (1) Block: 500 / 1356 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1356 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1356 / 1356 (1) 328 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1356 Use submatrix version of eigh solver. (1) Block: 500 / 1356 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1356 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1356 / 1356 (1) 328 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1356 Use submatrix version of eigh solver. (1) Block: 500 / 1356 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1356 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1356 / 1356 (1) 341 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 730 Use submatrix version of eigh solver. (1) Block: 500 / 730 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 730 / 730 (1) 216 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 730 Use submatrix version of eigh solver. (1) Block: 500 / 730 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 730 / 730 (1) 216 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 730 Use submatrix version of eigh solver. (1) Block: 500 / 730 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 730 / 730 (1) 216 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6258, 6133), data: False |-- (730, 716), data: False |-- (730, 14), data: (730, 28) @ (28, 14) |-- (230, 216), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (730, 716), data: False |-- (730, 14), data: (730, 28) @ (28, 14) |-- (230, 216), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (730, 716), data: False |-- (730, 14), data: (730, 28) @ (28, 14) |-- (230, 216), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1356, 1329), data: False |-- (1356, 38), data: (1356, 65) @ (65, 38) |-- (356, 341), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1356, 1328), data: False |-- (1356, 52), data: (1356, 80) @ (80, 52) |-- (356, 328), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1356, 1328), data: False |-- (1356, 52), data: (1356, 80) @ (80, 52) |-- (356, 328), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 2.631 Solver_block: 200 / 1600 - Time: 2.695 Solver_block: 300 / 1600 - Time: 2.447 Solver_block: 400 / 1600 - Time: 1.819 Solver_block: 500 / 1600 - Time: 2.532 Solver_block: 600 / 1600 - Time: 2.767 Solver_block: 700 / 1600 - Time: 2.659 Solver_block: 800 / 1600 - Time: 2.573 Solver_block: 900 / 1600 - Time: 2.806 Solver_block: 1000 / 1600 - Time: 2.723 Solver_block: 1100 / 1600 - Time: 2.348 Solver_block: 1200 / 1600 - Time: 2.367 Solver_block: 1300 / 1600 - Time: 2.950 Solver_block: 1400 / 1600 - Time: 2.092 Solver_block: 1500 / 1600 - Time: 2.801 Solver_block: 1600 / 1600 - Time: 2.726 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 42.435 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6258 Number of blocks in projector: 6258 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: 1356 Use submatrix version of eigh solver. (1) Block: 500 / 1356 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1356 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1356 / 1356 (1) 328 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1356 Use submatrix version of eigh solver. (1) Block: 500 / 1356 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1356 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1356 / 1356 (1) 328 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1356 Use submatrix version of eigh solver. (1) Block: 500 / 1356 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1356 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1356 / 1356 (1) 341 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 730 Use submatrix version of eigh solver. (1) Block: 500 / 730 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 730 / 730 (1) 216 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 730 Use submatrix version of eigh solver. (1) Block: 500 / 730 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 730 / 730 (1) 216 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 730 Use submatrix version of eigh solver. (1) Block: 500 / 730 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 730 / 730 (1) 216 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6258, 6133), data: False |-- (730, 716), data: False |-- (730, 14), data: (730, 28) @ (28, 14) |-- (230, 216), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (730, 716), data: False |-- (730, 14), data: (730, 28) @ (28, 14) |-- (230, 216), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (730, 716), data: False |-- (730, 14), data: (730, 28) @ (28, 14) |-- (230, 216), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1356, 1329), data: False |-- (1356, 38), data: (1356, 65) @ (65, 38) |-- (356, 341), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1356, 1328), data: False |-- (1356, 52), data: (1356, 80) @ (80, 52) |-- (356, 328), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1356, 1328), data: False |-- (1356, 52), data: (1356, 80) @ (80, 52) |-- (356, 328), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:50:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:50:26]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.348657050193442 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): 1 H 0.28134270750220 0.16670021360925 0.29215169625181 1.008 2 H 0.71865729249780 0.66670021360925 0.20784830374819 1.008 3 H 0.71865729249780 0.83329978639075 0.70784830374819 1.008 4 H 0.28134270750220 0.33329978639075 0.79215169625181 1.008 5 H 0.69873093321850 0.53755069774045 0.75887735946295 1.008 6 H 0.30126906678150 0.03755069774045 0.74112264053705 1.008 7 H 0.75537828285509 0.28835049102839 0.01090710831511 1.008 8 H 0.24462171714491 0.78835049102839 0.48909289168489 1.008 9 H 0.24462171714491 0.71164950897161 0.98909289168489 1.008 10 H 0.75537828285509 0.21164950897161 0.51090710831511 1.008 11 H 0.63581119467540 0.40588948055965 0.36470358071916 1.008 12 H 0.36418880532460 0.90588948055965 0.13529641928084 1.008 13 H 0.36418880532460 0.59411051944035 0.63529641928084 1.008 14 H 0.63581119467540 0.09411051944035 0.86470358071916 1.008 15 H 0.95020461585592 0.42857697299060 0.19561054244887 1.008 16 H 0.04979538414408 0.92857697299060 0.30438945755113 1.008 17 H 0.04979538414408 0.57142302700940 0.80438945755113 1.008 18 H 0.95020461585592 0.07142302700940 0.69561054244887 1.008 19 H 0.23751312616726 0.22205979360093 0.02421013554413 1.008 20 H 0.76248687383274 0.72205979360093 0.47578986445587 1.008 21 H 0.76248687383274 0.77794020639907 0.97578986445587 1.008 22 H 0.23751312616726 0.27794020639907 0.52421013554413 1.008 23 H 0.30126906678150 0.46244930225955 0.24112264053705 1.008 24 H 0.69873093321850 0.96244930225955 0.25887735946295 1.008 25 O 0.34765087996002 0.32588261540267 0.91606330512150 15.999 26 O 0.65234912003998 0.82588261540268 0.58393669487850 15.999 27 O 0.65234912003998 0.67411738459732 0.08393669487850 15.999 28 O 0.34765087996002 0.17411738459733 0.41606330512150 15.999 29 O 0.54446450105442 0.95047150423224 0.27950838964552 15.999 30 O 0.45553549894558 0.45047150423224 0.22049161035448 15.999 31 O 0.76792875243475 0.39547068409891 0.04759206254694 15.999 32 O 0.23207124756525 0.89547068409891 0.45240793745306 15.999 33 O 0.23207124756525 0.60452931590109 0.95240793745306 15.999 34 O 0.76792875243475 0.10452931590109 0.54759206254694 15.999 35 O 0.75483237057292 0.12810526396488 0.95920763303745 15.999 36 O 0.24516762942708 0.62810526396488 0.54079236696255 15.999 37 O 0.24516762942708 0.87189473603512 0.04079236696255 15.999 38 O 0.75483237057292 0.37189473603512 0.45920763303745 15.999 39 O 0.07727399397337 0.45521479777186 0.28766032456158 15.999 40 O 0.92272600602663 0.95521479777186 0.21233967543842 15.999 41 O 0.92272600602663 0.54478520222814 0.71233967543842 15.999 42 O 0.07727399397337 0.04478520222814 0.78766032456158 15.999 43 O 0.17012226345780 0.34058227936961 0.60524350945659 15.999 44 O 0.82987773654220 0.84058227936961 0.89475649054341 15.999 45 O 0.82987773654220 0.65941772063039 0.39475649054341 15.999 46 O 0.17012226345780 0.15941772063039 0.10524350945659 15.999 47 O 0.45553549894558 0.04952849576776 0.72049161035448 15.999 48 O 0.54446450105442 0.54952849576776 0.77950838964552 15.999 49 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 50 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 51 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 52 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.697314100386883 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): 1 H 0.14067135375110 0.16670021360925 0.29215169625181 1.008 > 1 2 H 0.64067135375110 0.16670021360925 0.29215169625181 1.008 > 1 3 H 0.35932864624890 0.66670021360925 0.20784830374819 1.008 > 3 4 H 0.85932864624890 0.66670021360925 0.20784830374819 1.008 > 3 5 H 0.35932864624890 0.83329978639075 0.70784830374819 1.008 > 5 6 H 0.85932864624890 0.83329978639075 0.70784830374819 1.008 > 5 7 H 0.14067135375110 0.33329978639075 0.79215169625181 1.008 > 7 8 H 0.64067135375110 0.33329978639075 0.79215169625181 1.008 > 7 9 H 0.34936546660925 0.53755069774045 0.75887735946295 1.008 > 9 10 H 0.84936546660925 0.53755069774045 0.75887735946295 1.008 > 9 11 H 0.15063453339075 0.03755069774045 0.74112264053705 1.008 > 11 12 H 0.65063453339075 0.03755069774045 0.74112264053705 1.008 > 11 13 H 0.37768914142755 0.28835049102839 0.01090710831511 1.008 > 13 14 H 0.87768914142755 0.28835049102839 0.01090710831511 1.008 > 13 15 H 0.12231085857245 0.78835049102839 0.48909289168489 1.008 > 15 16 H 0.62231085857245 0.78835049102839 0.48909289168489 1.008 > 15 17 H 0.12231085857245 0.71164950897161 0.98909289168489 1.008 > 17 18 H 0.62231085857245 0.71164950897161 0.98909289168489 1.008 > 17 19 H 0.37768914142755 0.21164950897161 0.51090710831511 1.008 > 19 20 H 0.87768914142755 0.21164950897161 0.51090710831511 1.008 > 19 21 H 0.31790559733770 0.40588948055965 0.36470358071916 1.008 > 21 22 H 0.81790559733770 0.40588948055965 0.36470358071916 1.008 > 21 23 H 0.18209440266230 0.90588948055965 0.13529641928084 1.008 > 23 24 H 0.68209440266230 0.90588948055965 0.13529641928084 1.008 > 23 25 H 0.18209440266230 0.59411051944035 0.63529641928084 1.008 > 25 26 H 0.68209440266230 0.59411051944035 0.63529641928084 1.008 > 25 27 H 0.31790559733770 0.09411051944035 0.86470358071916 1.008 > 27 28 H 0.81790559733770 0.09411051944035 0.86470358071916 1.008 > 27 29 H 0.47510230792796 0.42857697299060 0.19561054244887 1.008 > 29 30 H 0.97510230792796 0.42857697299060 0.19561054244887 1.008 > 29 31 H 0.02489769207204 0.92857697299060 0.30438945755113 1.008 > 31 32 H 0.52489769207204 0.92857697299060 0.30438945755113 1.008 > 31 33 H 0.02489769207204 0.57142302700940 0.80438945755113 1.008 > 33 34 H 0.52489769207204 0.57142302700940 0.80438945755113 1.008 > 33 35 H 0.47510230792796 0.07142302700940 0.69561054244887 1.008 > 35 36 H 0.97510230792796 0.07142302700940 0.69561054244887 1.008 > 35 37 H 0.11875656308363 0.22205979360093 0.02421013554413 1.008 > 37 38 H 0.61875656308363 0.22205979360093 0.02421013554413 1.008 > 37 39 H 0.38124343691637 0.72205979360093 0.47578986445587 1.008 > 39 40 H 0.88124343691637 0.72205979360093 0.47578986445587 1.008 > 39 41 H 0.38124343691637 0.77794020639907 0.97578986445587 1.008 > 41 42 H 0.88124343691637 0.77794020639907 0.97578986445587 1.008 > 41 43 H 0.11875656308363 0.27794020639907 0.52421013554413 1.008 > 43 44 H 0.61875656308363 0.27794020639907 0.52421013554413 1.008 > 43 45 H 0.15063453339075 0.46244930225955 0.24112264053705 1.008 > 45 46 H 0.65063453339075 0.46244930225955 0.24112264053705 1.008 > 45 47 H 0.34936546660925 0.96244930225955 0.25887735946295 1.008 > 47 48 H 0.84936546660925 0.96244930225955 0.25887735946295 1.008 > 47 49 O 0.17382543998001 0.32588261540267 0.91606330512150 15.999 > 49 50 O 0.67382543998001 0.32588261540267 0.91606330512150 15.999 > 49 51 O 0.32617456001999 0.82588261540268 0.58393669487850 15.999 > 51 52 O 0.82617456001999 0.82588261540268 0.58393669487850 15.999 > 51 53 O 0.32617456001999 0.67411738459732 0.08393669487850 15.999 > 53 54 O 0.82617456001999 0.67411738459732 0.08393669487850 15.999 > 53 55 O 0.17382543998001 0.17411738459733 0.41606330512150 15.999 > 55 56 O 0.67382543998001 0.17411738459733 0.41606330512150 15.999 > 55 57 O 0.27223225052721 0.95047150423224 0.27950838964552 15.999 > 57 58 O 0.77223225052721 0.95047150423224 0.27950838964552 15.999 > 57 59 O 0.22776774947279 0.45047150423224 0.22049161035448 15.999 > 59 60 O 0.72776774947279 0.45047150423224 0.22049161035448 15.999 > 59 61 O 0.38396437621737 0.39547068409891 0.04759206254694 15.999 > 61 62 O 0.88396437621737 0.39547068409891 0.04759206254694 15.999 > 61 63 O 0.11603562378263 0.89547068409891 0.45240793745306 15.999 > 63 64 O 0.61603562378263 0.89547068409891 0.45240793745306 15.999 > 63 65 O 0.11603562378263 0.60452931590109 0.95240793745306 15.999 > 65 66 O 0.61603562378263 0.60452931590109 0.95240793745306 15.999 > 65 67 O 0.38396437621737 0.10452931590109 0.54759206254694 15.999 > 67 68 O 0.88396437621737 0.10452931590109 0.54759206254694 15.999 > 67 69 O 0.37741618528646 0.12810526396488 0.95920763303745 15.999 > 69 70 O 0.87741618528646 0.12810526396488 0.95920763303745 15.999 > 69 71 O 0.12258381471354 0.62810526396488 0.54079236696255 15.999 > 71 72 O 0.62258381471354 0.62810526396488 0.54079236696255 15.999 > 71 73 O 0.12258381471354 0.87189473603512 0.04079236696255 15.999 > 73 74 O 0.62258381471354 0.87189473603512 0.04079236696255 15.999 > 73 75 O 0.37741618528646 0.37189473603512 0.45920763303745 15.999 > 75 76 O 0.87741618528646 0.37189473603512 0.45920763303745 15.999 > 75 77 O 0.03863699698669 0.45521479777186 0.28766032456158 15.999 > 77 78 O 0.53863699698669 0.45521479777186 0.28766032456158 15.999 > 77 79 O 0.46136300301331 0.95521479777186 0.21233967543842 15.999 > 79 80 O 0.96136300301331 0.95521479777186 0.21233967543842 15.999 > 79 81 O 0.46136300301331 0.54478520222814 0.71233967543842 15.999 > 81 82 O 0.96136300301331 0.54478520222814 0.71233967543842 15.999 > 81 83 O 0.03863699698669 0.04478520222814 0.78766032456158 15.999 > 83 84 O 0.53863699698669 0.04478520222814 0.78766032456158 15.999 > 83 85 O 0.08506113172890 0.34058227936961 0.60524350945659 15.999 > 85 86 O 0.58506113172890 0.34058227936961 0.60524350945659 15.999 > 85 87 O 0.41493886827110 0.84058227936961 0.89475649054341 15.999 > 87 88 O 0.91493886827110 0.84058227936961 0.89475649054341 15.999 > 87 89 O 0.41493886827110 0.65941772063039 0.39475649054341 15.999 > 89 90 O 0.91493886827110 0.65941772063039 0.39475649054341 15.999 > 89 91 O 0.08506113172890 0.15941772063039 0.10524350945659 15.999 > 91 92 O 0.58506113172890 0.15941772063039 0.10524350945659 15.999 > 91 93 O 0.22776774947279 0.04952849576776 0.72049161035448 15.999 > 93 94 O 0.72776774947279 0.04952849576776 0.72049161035448 15.999 > 93 95 O 0.27223225052721 0.54952849576776 0.77950838964552 15.999 > 95 96 O 0.77223225052721 0.54952849576776 0.77950838964552 15.999 > 95 97 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 97 98 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 97 99 Te 0.25000000000000 0.00000000000000 0.50000000000000 127.600 > 99 100 Te 0.75000000000000 0.00000000000000 0.50000000000000 127.600 > 99 101 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 101 102 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 101 103 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 103 104 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8584593 0.0000000 0.1095168 0.0000000 2.7864829 0.0000000 0.1095158 0.0000000 2.9157957 -------------------------- Born effective charges -------------------------- 1 H 0.3815211 0.0626403 0.5557585 0.0375084 0.2700014 -0.0250244 0.3637020 0.1062485 1.7192250 2 H 0.3815211 -0.0626403 0.5557585 -0.0375084 0.2700014 0.0250244 0.3637020 -0.1062485 1.7192250 3 H 0.3815211 0.0626403 0.5557585 0.0375084 0.2700014 -0.0250244 0.3637020 0.1062485 1.7192250 4 H 0.3815211 -0.0626403 0.5557585 -0.0375084 0.2700014 0.0250244 0.3637020 -0.1062485 1.7192250 5 H 1.8549822 -0.0315322 -0.3702714 0.0544612 0.3141777 -0.0033706 -0.8670068 0.0418286 0.3834858 6 H 1.8549822 0.0315322 -0.3702714 -0.0544612 0.3141777 0.0033706 -0.8670068 -0.0418286 0.3834858 7 H 0.2706705 -0.5876159 -0.2021793 -0.0435900 1.9020052 0.5040360 -0.0479458 0.3846971 0.3322935 8 H 0.2706705 0.5876159 -0.2021793 0.0435900 1.9020052 -0.5040360 -0.0479458 -0.3846971 0.3322935 9 H 0.2706705 -0.5876159 -0.2021793 -0.0435900 1.9020052 0.5040360 -0.0479458 0.3846971 0.3322935 10 H 0.2706705 0.5876159 -0.2021793 0.0435900 1.9020052 -0.5040360 -0.0479458 -0.3846971 0.3322935 11 H 0.8716021 -0.3313319 0.7846207 -0.1368994 0.2908901 -0.1693326 0.7447139 -0.3587424 1.2142535 12 H 0.8716021 0.3313319 0.7846207 0.1368994 0.2908901 0.1693326 0.7447139 0.3587424 1.2142535 13 H 0.8716021 -0.3313319 0.7846207 -0.1368994 0.2908901 -0.1693326 0.7447139 -0.3587424 1.2142535 14 H 0.8716021 0.3313319 0.7846207 0.1368994 0.2908901 0.1693326 0.7447139 0.3587424 1.2142535 15 H 0.8401387 0.2051359 0.7221682 0.1498205 0.3315069 0.1660889 0.9361841 0.3085976 1.2397471 16 H 0.8401387 -0.2051359 0.7221682 -0.1498205 0.3315069 -0.1660889 0.9361841 -0.3085976 1.2397471 17 H 0.8401387 0.2051359 0.7221682 0.1498205 0.3315069 0.1660889 0.9361841 0.3085976 1.2397471 18 H 0.8401387 -0.2051359 0.7221682 -0.1498205 0.3315069 -0.1660889 0.9361841 -0.3085976 1.2397471 19 H 0.7806961 0.5624943 -0.6128307 0.7325209 1.1294877 -0.8334376 -0.3489537 -0.3477312 0.5794838 20 H 0.7806961 -0.5624943 -0.6128307 -0.7325209 1.1294877 0.8334376 -0.3489537 0.3477312 0.5794838 21 H 0.7806961 0.5624943 -0.6128307 0.7325209 1.1294877 -0.8334376 -0.3489537 -0.3477312 0.5794838 22 H 0.7806961 -0.5624943 -0.6128307 -0.7325209 1.1294877 0.8334376 -0.3489537 0.3477312 0.5794838 23 H 1.8549822 -0.0315322 -0.3702714 0.0544612 0.3141777 -0.0033706 -0.8670068 0.0418286 0.3834858 24 H 1.8549822 0.0315322 -0.3702714 -0.0544612 0.3141777 0.0033706 -0.8670068 -0.0418286 0.3834858 25 O -1.2709137 -0.4865143 -0.2714760 -0.4967300 -1.6064480 0.0189312 -0.2233184 -0.0555409 -1.8769492 26 O -1.2709137 0.4865143 -0.2714760 0.4967300 -1.6064480 -0.0189312 -0.2233184 0.0555409 -1.8769492 27 O -1.2709137 -0.4865143 -0.2714760 -0.4967300 -1.6064480 0.0189312 -0.2233184 -0.0555409 -1.8769492 28 O -1.2709137 0.4865143 -0.2714760 0.4967300 -1.6064480 -0.0189312 -0.2233184 0.0555409 -1.8769492 29 O -2.0276861 -0.0367593 0.0948821 0.0812852 -0.9238988 -0.2829566 0.3790138 -0.2479554 -1.8693195 30 O -2.0276861 0.0367593 0.0948821 -0.0812852 -0.9238988 0.2829566 0.3790138 0.2479554 -1.8693195 31 O -1.5100515 0.5601508 -0.3251890 0.2962208 -1.9095335 -0.2588518 -0.4728530 -0.1739611 -1.3492440 32 O -1.5100515 -0.5601508 -0.3251890 -0.2962208 -1.9095335 0.2588518 -0.4728530 0.1739611 -1.3492440 33 O -1.5100515 0.5601508 -0.3251890 0.2962208 -1.9095335 -0.2588518 -0.4728530 -0.1739611 -1.3492440 34 O -1.5100515 -0.5601508 -0.3251890 -0.2962208 -1.9095335 0.2588518 -0.4728530 0.1739611 -1.3492440 35 O -1.6274843 0.3370897 -0.4875922 0.3266569 -1.6749913 -0.1569489 -0.5093346 -0.2595184 -1.4136746 36 O -1.6274843 -0.3370897 -0.4875922 -0.3266569 -1.6749913 0.1569489 -0.5093346 0.2595184 -1.4136746 37 O -1.6274843 0.3370897 -0.4875922 0.3266569 -1.6749913 -0.1569489 -0.5093346 -0.2595184 -1.4136746 38 O -1.6274843 -0.3370897 -0.4875922 -0.3266569 -1.6749913 0.1569489 -0.5093346 0.2595184 -1.4136746 39 O -1.8394052 -0.0211080 0.0081996 -0.0388364 -0.8809206 -0.2219245 -0.0048035 -0.3127386 -2.0814838 40 O -1.8394052 0.0211080 0.0081996 0.0388364 -0.8809206 0.2219245 -0.0048035 0.3127386 -2.0814838 41 O -1.8394052 -0.0211080 0.0081996 -0.0388364 -0.8809206 -0.2219245 -0.0048035 -0.3127386 -2.0814838 42 O -1.8394052 0.0211080 0.0081996 0.0388364 -0.8809206 0.2219245 -0.0048035 0.3127386 -2.0814838 43 O -1.3190388 0.5581970 -0.0267167 0.6576642 -1.7811284 -0.2339271 -0.1856610 0.0438627 -1.6805115 44 O -1.3190388 -0.5581970 -0.0267167 -0.6576642 -1.7811284 0.2339271 -0.1856610 -0.0438627 -1.6805115 45 O -1.3190388 0.5581970 -0.0267167 0.6576642 -1.7811284 -0.2339271 -0.1856610 0.0438627 -1.6805115 46 O -1.3190388 -0.5581970 -0.0267167 -0.6576642 -1.7811284 0.2339271 -0.1856610 -0.0438627 -1.6805115 47 O -2.0276861 -0.0367593 0.0948821 0.0812852 -0.9238988 -0.2829566 0.3790138 -0.2479554 -1.8693195 48 O -2.0276861 0.0367593 0.0948821 -0.0812852 -0.9238988 0.2829566 0.3790138 0.2479554 -1.8693195 49 Te 4.5983634 0.1447211 0.0245714 -0.1550801 4.5753563 -0.0135141 0.1961228 0.0358870 4.7621989 50 Te 4.5983634 -0.1447211 0.0245714 0.1550801 4.5753563 0.0135141 0.1961228 -0.0358870 4.7621989 51 Te 4.5915747 -0.1632823 0.2366812 -0.0001318 4.5023470 0.1225190 0.2764032 0.2389672 4.8431889 52 Te 4.5915747 0.1632823 0.2366812 0.0001318 4.5023470 -0.1225190 0.2764032 -0.2389672 4.8431889 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 13, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 21, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 37, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 61, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 69, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 77, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 85, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 101, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:51:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:51:28]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.348657050193442 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): 1 H 0.28134270750220 0.16670021360925 0.29215169625181 1.008 2 H 0.71865729249780 0.66670021360925 0.20784830374819 1.008 3 H 0.71865729249780 0.83329978639075 0.70784830374819 1.008 4 H 0.28134270750220 0.33329978639075 0.79215169625181 1.008 5 H 0.69873093321850 0.53755069774045 0.75887735946295 1.008 6 H 0.30126906678150 0.03755069774045 0.74112264053705 1.008 7 H 0.75537828285509 0.28835049102839 0.01090710831511 1.008 8 H 0.24462171714491 0.78835049102839 0.48909289168489 1.008 9 H 0.24462171714491 0.71164950897161 0.98909289168489 1.008 10 H 0.75537828285509 0.21164950897161 0.51090710831511 1.008 11 H 0.63581119467540 0.40588948055965 0.36470358071916 1.008 12 H 0.36418880532460 0.90588948055965 0.13529641928084 1.008 13 H 0.36418880532460 0.59411051944035 0.63529641928084 1.008 14 H 0.63581119467540 0.09411051944035 0.86470358071916 1.008 15 H 0.95020461585592 0.42857697299060 0.19561054244887 1.008 16 H 0.04979538414408 0.92857697299060 0.30438945755113 1.008 17 H 0.04979538414408 0.57142302700940 0.80438945755113 1.008 18 H 0.95020461585592 0.07142302700940 0.69561054244887 1.008 19 H 0.23751312616726 0.22205979360093 0.02421013554413 1.008 20 H 0.76248687383274 0.72205979360093 0.47578986445587 1.008 21 H 0.76248687383274 0.77794020639907 0.97578986445587 1.008 22 H 0.23751312616726 0.27794020639907 0.52421013554413 1.008 23 H 0.30126906678150 0.46244930225955 0.24112264053705 1.008 24 H 0.69873093321850 0.96244930225955 0.25887735946295 1.008 25 O 0.34765087996002 0.32588261540267 0.91606330512150 15.999 26 O 0.65234912003998 0.82588261540268 0.58393669487850 15.999 27 O 0.65234912003998 0.67411738459732 0.08393669487850 15.999 28 O 0.34765087996002 0.17411738459733 0.41606330512150 15.999 29 O 0.54446450105442 0.95047150423224 0.27950838964552 15.999 30 O 0.45553549894558 0.45047150423224 0.22049161035448 15.999 31 O 0.76792875243475 0.39547068409891 0.04759206254694 15.999 32 O 0.23207124756525 0.89547068409891 0.45240793745306 15.999 33 O 0.23207124756525 0.60452931590109 0.95240793745306 15.999 34 O 0.76792875243475 0.10452931590109 0.54759206254694 15.999 35 O 0.75483237057292 0.12810526396488 0.95920763303745 15.999 36 O 0.24516762942708 0.62810526396488 0.54079236696255 15.999 37 O 0.24516762942708 0.87189473603512 0.04079236696255 15.999 38 O 0.75483237057292 0.37189473603512 0.45920763303745 15.999 39 O 0.07727399397337 0.45521479777186 0.28766032456158 15.999 40 O 0.92272600602663 0.95521479777186 0.21233967543842 15.999 41 O 0.92272600602663 0.54478520222814 0.71233967543842 15.999 42 O 0.07727399397337 0.04478520222814 0.78766032456158 15.999 43 O 0.17012226345780 0.34058227936961 0.60524350945659 15.999 44 O 0.82987773654220 0.84058227936961 0.89475649054341 15.999 45 O 0.82987773654220 0.65941772063039 0.39475649054341 15.999 46 O 0.17012226345780 0.15941772063039 0.10524350945659 15.999 47 O 0.45553549894558 0.04952849576776 0.72049161035448 15.999 48 O 0.54446450105442 0.54952849576776 0.77950838964552 15.999 49 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 50 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 51 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 52 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.697314100386883 0.000000000000000 0.000000000000000 b 0.000000000000000 9.231553040000001 0.000000000000000 c -1.473989136553577 0.000000000000000 8.042591906757540 Atomic positions (fractional): 1 H 0.14067135375110 0.16670021360925 0.29215169625181 1.008 > 1 2 H 0.64067135375110 0.16670021360925 0.29215169625181 1.008 > 1 3 H 0.35932864624890 0.66670021360925 0.20784830374819 1.008 > 3 4 H 0.85932864624890 0.66670021360925 0.20784830374819 1.008 > 3 5 H 0.35932864624890 0.83329978639075 0.70784830374819 1.008 > 5 6 H 0.85932864624890 0.83329978639075 0.70784830374819 1.008 > 5 7 H 0.14067135375110 0.33329978639075 0.79215169625181 1.008 > 7 8 H 0.64067135375110 0.33329978639075 0.79215169625181 1.008 > 7 9 H 0.34936546660925 0.53755069774045 0.75887735946295 1.008 > 9 10 H 0.84936546660925 0.53755069774045 0.75887735946295 1.008 > 9 11 H 0.15063453339075 0.03755069774045 0.74112264053705 1.008 > 11 12 H 0.65063453339075 0.03755069774045 0.74112264053705 1.008 > 11 13 H 0.37768914142755 0.28835049102839 0.01090710831511 1.008 > 13 14 H 0.87768914142755 0.28835049102839 0.01090710831511 1.008 > 13 15 H 0.12231085857245 0.78835049102839 0.48909289168489 1.008 > 15 16 H 0.62231085857245 0.78835049102839 0.48909289168489 1.008 > 15 17 H 0.12231085857245 0.71164950897161 0.98909289168489 1.008 > 17 18 H 0.62231085857245 0.71164950897161 0.98909289168489 1.008 > 17 19 H 0.37768914142755 0.21164950897161 0.51090710831511 1.008 > 19 20 H 0.87768914142755 0.21164950897161 0.51090710831511 1.008 > 19 21 H 0.31790559733770 0.40588948055965 0.36470358071916 1.008 > 21 22 H 0.81790559733770 0.40588948055965 0.36470358071916 1.008 > 21 23 H 0.18209440266230 0.90588948055965 0.13529641928084 1.008 > 23 24 H 0.68209440266230 0.90588948055965 0.13529641928084 1.008 > 23 25 H 0.18209440266230 0.59411051944035 0.63529641928084 1.008 > 25 26 H 0.68209440266230 0.59411051944035 0.63529641928084 1.008 > 25 27 H 0.31790559733770 0.09411051944035 0.86470358071916 1.008 > 27 28 H 0.81790559733770 0.09411051944035 0.86470358071916 1.008 > 27 29 H 0.47510230792796 0.42857697299060 0.19561054244887 1.008 > 29 30 H 0.97510230792796 0.42857697299060 0.19561054244887 1.008 > 29 31 H 0.02489769207204 0.92857697299060 0.30438945755113 1.008 > 31 32 H 0.52489769207204 0.92857697299060 0.30438945755113 1.008 > 31 33 H 0.02489769207204 0.57142302700940 0.80438945755113 1.008 > 33 34 H 0.52489769207204 0.57142302700940 0.80438945755113 1.008 > 33 35 H 0.47510230792796 0.07142302700940 0.69561054244887 1.008 > 35 36 H 0.97510230792796 0.07142302700940 0.69561054244887 1.008 > 35 37 H 0.11875656308363 0.22205979360093 0.02421013554413 1.008 > 37 38 H 0.61875656308363 0.22205979360093 0.02421013554413 1.008 > 37 39 H 0.38124343691637 0.72205979360093 0.47578986445587 1.008 > 39 40 H 0.88124343691637 0.72205979360093 0.47578986445587 1.008 > 39 41 H 0.38124343691637 0.77794020639907 0.97578986445587 1.008 > 41 42 H 0.88124343691637 0.77794020639907 0.97578986445587 1.008 > 41 43 H 0.11875656308363 0.27794020639907 0.52421013554413 1.008 > 43 44 H 0.61875656308363 0.27794020639907 0.52421013554413 1.008 > 43 45 H 0.15063453339075 0.46244930225955 0.24112264053705 1.008 > 45 46 H 0.65063453339075 0.46244930225955 0.24112264053705 1.008 > 45 47 H 0.34936546660925 0.96244930225955 0.25887735946295 1.008 > 47 48 H 0.84936546660925 0.96244930225955 0.25887735946295 1.008 > 47 49 O 0.17382543998001 0.32588261540267 0.91606330512150 15.999 > 49 50 O 0.67382543998001 0.32588261540267 0.91606330512150 15.999 > 49 51 O 0.32617456001999 0.82588261540268 0.58393669487850 15.999 > 51 52 O 0.82617456001999 0.82588261540268 0.58393669487850 15.999 > 51 53 O 0.32617456001999 0.67411738459732 0.08393669487850 15.999 > 53 54 O 0.82617456001999 0.67411738459732 0.08393669487850 15.999 > 53 55 O 0.17382543998001 0.17411738459733 0.41606330512150 15.999 > 55 56 O 0.67382543998001 0.17411738459733 0.41606330512150 15.999 > 55 57 O 0.27223225052721 0.95047150423224 0.27950838964552 15.999 > 57 58 O 0.77223225052721 0.95047150423224 0.27950838964552 15.999 > 57 59 O 0.22776774947279 0.45047150423224 0.22049161035448 15.999 > 59 60 O 0.72776774947279 0.45047150423224 0.22049161035448 15.999 > 59 61 O 0.38396437621737 0.39547068409891 0.04759206254694 15.999 > 61 62 O 0.88396437621737 0.39547068409891 0.04759206254694 15.999 > 61 63 O 0.11603562378263 0.89547068409891 0.45240793745306 15.999 > 63 64 O 0.61603562378263 0.89547068409891 0.45240793745306 15.999 > 63 65 O 0.11603562378263 0.60452931590109 0.95240793745306 15.999 > 65 66 O 0.61603562378263 0.60452931590109 0.95240793745306 15.999 > 65 67 O 0.38396437621737 0.10452931590109 0.54759206254694 15.999 > 67 68 O 0.88396437621737 0.10452931590109 0.54759206254694 15.999 > 67 69 O 0.37741618528646 0.12810526396488 0.95920763303745 15.999 > 69 70 O 0.87741618528646 0.12810526396488 0.95920763303745 15.999 > 69 71 O 0.12258381471354 0.62810526396488 0.54079236696255 15.999 > 71 72 O 0.62258381471354 0.62810526396488 0.54079236696255 15.999 > 71 73 O 0.12258381471354 0.87189473603512 0.04079236696255 15.999 > 73 74 O 0.62258381471354 0.87189473603512 0.04079236696255 15.999 > 73 75 O 0.37741618528646 0.37189473603512 0.45920763303745 15.999 > 75 76 O 0.87741618528646 0.37189473603512 0.45920763303745 15.999 > 75 77 O 0.03863699698669 0.45521479777186 0.28766032456158 15.999 > 77 78 O 0.53863699698669 0.45521479777186 0.28766032456158 15.999 > 77 79 O 0.46136300301331 0.95521479777186 0.21233967543842 15.999 > 79 80 O 0.96136300301331 0.95521479777186 0.21233967543842 15.999 > 79 81 O 0.46136300301331 0.54478520222814 0.71233967543842 15.999 > 81 82 O 0.96136300301331 0.54478520222814 0.71233967543842 15.999 > 81 83 O 0.03863699698669 0.04478520222814 0.78766032456158 15.999 > 83 84 O 0.53863699698669 0.04478520222814 0.78766032456158 15.999 > 83 85 O 0.08506113172890 0.34058227936961 0.60524350945659 15.999 > 85 86 O 0.58506113172890 0.34058227936961 0.60524350945659 15.999 > 85 87 O 0.41493886827110 0.84058227936961 0.89475649054341 15.999 > 87 88 O 0.91493886827110 0.84058227936961 0.89475649054341 15.999 > 87 89 O 0.41493886827110 0.65941772063039 0.39475649054341 15.999 > 89 90 O 0.91493886827110 0.65941772063039 0.39475649054341 15.999 > 89 91 O 0.08506113172890 0.15941772063039 0.10524350945659 15.999 > 91 92 O 0.58506113172890 0.15941772063039 0.10524350945659 15.999 > 91 93 O 0.22776774947279 0.04952849576776 0.72049161035448 15.999 > 93 94 O 0.72776774947279 0.04952849576776 0.72049161035448 15.999 > 93 95 O 0.27223225052721 0.54952849576776 0.77950838964552 15.999 > 95 96 O 0.77223225052721 0.54952849576776 0.77950838964552 15.999 > 95 97 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 97 98 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 97 99 Te 0.25000000000000 0.00000000000000 0.50000000000000 127.600 > 99 100 Te 0.75000000000000 0.00000000000000 0.50000000000000 127.600 > 99 101 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 101 102 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 101 103 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 103 104 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8584593 0.0000000 0.1095168 0.0000000 2.7864829 0.0000000 0.1095158 0.0000000 2.9157957 -------------------------- Born effective charges -------------------------- 1 H 0.3815211 0.0626403 0.5557585 0.0375084 0.2700014 -0.0250244 0.3637020 0.1062485 1.7192250 2 H 0.3815211 -0.0626403 0.5557585 -0.0375084 0.2700014 0.0250244 0.3637020 -0.1062485 1.7192250 3 H 0.3815211 0.0626403 0.5557585 0.0375084 0.2700014 -0.0250244 0.3637020 0.1062485 1.7192250 4 H 0.3815211 -0.0626403 0.5557585 -0.0375084 0.2700014 0.0250244 0.3637020 -0.1062485 1.7192250 5 H 1.8549822 -0.0315322 -0.3702714 0.0544612 0.3141777 -0.0033706 -0.8670068 0.0418286 0.3834858 6 H 1.8549822 0.0315322 -0.3702714 -0.0544612 0.3141777 0.0033706 -0.8670068 -0.0418286 0.3834858 7 H 0.2706705 -0.5876159 -0.2021793 -0.0435900 1.9020052 0.5040360 -0.0479458 0.3846971 0.3322935 8 H 0.2706705 0.5876159 -0.2021793 0.0435900 1.9020052 -0.5040360 -0.0479458 -0.3846971 0.3322935 9 H 0.2706705 -0.5876159 -0.2021793 -0.0435900 1.9020052 0.5040360 -0.0479458 0.3846971 0.3322935 10 H 0.2706705 0.5876159 -0.2021793 0.0435900 1.9020052 -0.5040360 -0.0479458 -0.3846971 0.3322935 11 H 0.8716021 -0.3313319 0.7846207 -0.1368994 0.2908901 -0.1693326 0.7447139 -0.3587424 1.2142535 12 H 0.8716021 0.3313319 0.7846207 0.1368994 0.2908901 0.1693326 0.7447139 0.3587424 1.2142535 13 H 0.8716021 -0.3313319 0.7846207 -0.1368994 0.2908901 -0.1693326 0.7447139 -0.3587424 1.2142535 14 H 0.8716021 0.3313319 0.7846207 0.1368994 0.2908901 0.1693326 0.7447139 0.3587424 1.2142535 15 H 0.8401387 0.2051359 0.7221682 0.1498205 0.3315069 0.1660889 0.9361841 0.3085976 1.2397471 16 H 0.8401387 -0.2051359 0.7221682 -0.1498205 0.3315069 -0.1660889 0.9361841 -0.3085976 1.2397471 17 H 0.8401387 0.2051359 0.7221682 0.1498205 0.3315069 0.1660889 0.9361841 0.3085976 1.2397471 18 H 0.8401387 -0.2051359 0.7221682 -0.1498205 0.3315069 -0.1660889 0.9361841 -0.3085976 1.2397471 19 H 0.7806961 0.5624943 -0.6128307 0.7325209 1.1294877 -0.8334376 -0.3489537 -0.3477312 0.5794838 20 H 0.7806961 -0.5624943 -0.6128307 -0.7325209 1.1294877 0.8334376 -0.3489537 0.3477312 0.5794838 21 H 0.7806961 0.5624943 -0.6128307 0.7325209 1.1294877 -0.8334376 -0.3489537 -0.3477312 0.5794838 22 H 0.7806961 -0.5624943 -0.6128307 -0.7325209 1.1294877 0.8334376 -0.3489537 0.3477312 0.5794838 23 H 1.8549822 -0.0315322 -0.3702714 0.0544612 0.3141777 -0.0033706 -0.8670068 0.0418286 0.3834858 24 H 1.8549822 0.0315322 -0.3702714 -0.0544612 0.3141777 0.0033706 -0.8670068 -0.0418286 0.3834858 25 O -1.2709137 -0.4865143 -0.2714760 -0.4967300 -1.6064480 0.0189312 -0.2233184 -0.0555409 -1.8769492 26 O -1.2709137 0.4865143 -0.2714760 0.4967300 -1.6064480 -0.0189312 -0.2233184 0.0555409 -1.8769492 27 O -1.2709137 -0.4865143 -0.2714760 -0.4967300 -1.6064480 0.0189312 -0.2233184 -0.0555409 -1.8769492 28 O -1.2709137 0.4865143 -0.2714760 0.4967300 -1.6064480 -0.0189312 -0.2233184 0.0555409 -1.8769492 29 O -2.0276861 -0.0367593 0.0948821 0.0812852 -0.9238988 -0.2829566 0.3790138 -0.2479554 -1.8693195 30 O -2.0276861 0.0367593 0.0948821 -0.0812852 -0.9238988 0.2829566 0.3790138 0.2479554 -1.8693195 31 O -1.5100515 0.5601508 -0.3251890 0.2962208 -1.9095335 -0.2588518 -0.4728530 -0.1739611 -1.3492440 32 O -1.5100515 -0.5601508 -0.3251890 -0.2962208 -1.9095335 0.2588518 -0.4728530 0.1739611 -1.3492440 33 O -1.5100515 0.5601508 -0.3251890 0.2962208 -1.9095335 -0.2588518 -0.4728530 -0.1739611 -1.3492440 34 O -1.5100515 -0.5601508 -0.3251890 -0.2962208 -1.9095335 0.2588518 -0.4728530 0.1739611 -1.3492440 35 O -1.6274843 0.3370897 -0.4875922 0.3266569 -1.6749913 -0.1569489 -0.5093346 -0.2595184 -1.4136746 36 O -1.6274843 -0.3370897 -0.4875922 -0.3266569 -1.6749913 0.1569489 -0.5093346 0.2595184 -1.4136746 37 O -1.6274843 0.3370897 -0.4875922 0.3266569 -1.6749913 -0.1569489 -0.5093346 -0.2595184 -1.4136746 38 O -1.6274843 -0.3370897 -0.4875922 -0.3266569 -1.6749913 0.1569489 -0.5093346 0.2595184 -1.4136746 39 O -1.8394052 -0.0211080 0.0081996 -0.0388364 -0.8809206 -0.2219245 -0.0048035 -0.3127386 -2.0814838 40 O -1.8394052 0.0211080 0.0081996 0.0388364 -0.8809206 0.2219245 -0.0048035 0.3127386 -2.0814838 41 O -1.8394052 -0.0211080 0.0081996 -0.0388364 -0.8809206 -0.2219245 -0.0048035 -0.3127386 -2.0814838 42 O -1.8394052 0.0211080 0.0081996 0.0388364 -0.8809206 0.2219245 -0.0048035 0.3127386 -2.0814838 43 O -1.3190388 0.5581970 -0.0267167 0.6576642 -1.7811284 -0.2339271 -0.1856610 0.0438627 -1.6805115 44 O -1.3190388 -0.5581970 -0.0267167 -0.6576642 -1.7811284 0.2339271 -0.1856610 -0.0438627 -1.6805115 45 O -1.3190388 0.5581970 -0.0267167 0.6576642 -1.7811284 -0.2339271 -0.1856610 0.0438627 -1.6805115 46 O -1.3190388 -0.5581970 -0.0267167 -0.6576642 -1.7811284 0.2339271 -0.1856610 -0.0438627 -1.6805115 47 O -2.0276861 -0.0367593 0.0948821 0.0812852 -0.9238988 -0.2829566 0.3790138 -0.2479554 -1.8693195 48 O -2.0276861 0.0367593 0.0948821 -0.0812852 -0.9238988 0.2829566 0.3790138 0.2479554 -1.8693195 49 Te 4.5983634 0.1447211 0.0245714 -0.1550801 4.5753563 -0.0135141 0.1961228 0.0358870 4.7621989 50 Te 4.5983634 -0.1447211 0.0245714 0.1550801 4.5753563 0.0135141 0.1961228 -0.0358870 4.7621989 51 Te 4.5915747 -0.1632823 0.2366812 -0.0001318 4.5023470 0.1225190 0.2764032 0.2389672 4.8431889 52 Te 4.5915747 0.1632823 0.2366812 0.0001318 4.5023470 -0.1225190 0.2764032 -0.2389672 4.8431889 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 6 ] 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: 0.53, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 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 1.746 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.145 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.683 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.761 ( 0.000 0.000 0.000) 0.000 14.108 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 17.330 ( 0.000 0.000 0.000) 0.000 17.526 ( 0.000 0.000 0.000) 0.000 17.806 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 18.210 ( 0.000 0.000 0.000) 0.000 18.328 ( 0.000 0.000 0.000) 0.000 18.375 ( 0.000 0.000 0.000) 0.000 18.413 ( 0.000 0.000 0.000) 0.000 18.418 ( 0.000 0.000 0.000) 0.000 18.476 ( 0.000 0.000 0.000) 0.000 18.596 ( 0.000 0.000 0.000) 0.000 18.776 ( 0.000 0.000 0.000) 0.000 18.801 ( 0.000 0.000 0.000) 0.000 19.046 ( 0.000 0.000 0.000) 0.000 19.119 ( 0.000 0.000 0.000) 0.000 19.157 ( 0.000 0.000 0.000) 0.000 19.219 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 19.532 ( 0.000 0.000 0.000) 0.000 19.739 ( 0.000 0.000 0.000) 0.000 19.988 ( 0.000 0.000 0.000) 0.000 20.144 ( 0.000 0.000 0.000) 0.000 20.162 ( 0.000 0.000 0.000) 0.000 23.029 ( 0.000 0.000 0.000) 0.000 23.388 ( 0.000 0.000 0.000) 0.000 23.471 ( 0.000 0.000 0.000) 0.000 23.501 ( 0.000 0.000 0.000) 0.000 23.618 ( 0.000 0.000 0.000) 0.000 24.056 ( 0.000 0.000 0.000) 0.000 24.214 ( 0.000 0.000 0.000) 0.000 24.222 ( 0.000 0.000 0.000) 0.000 24.524 ( 0.000 0.000 0.000) 0.000 24.550 ( 0.000 0.000 0.000) 0.000 24.602 ( 0.000 0.000 0.000) 0.000 24.883 ( 0.000 0.000 0.000) 0.000 25.131 ( 0.000 0.000 0.000) 0.000 25.223 ( 0.000 0.000 0.000) 0.000 25.245 ( 0.000 0.000 0.000) 0.000 25.524 ( 0.000 0.000 0.000) 0.000 26.136 ( 0.000 0.000 0.000) 0.000 26.180 ( 0.000 0.000 0.000) 0.000 26.368 ( 0.000 0.000 0.000) 0.000 26.880 ( 0.000 0.000 0.000) 0.000 26.930 ( 0.000 0.000 0.000) 0.000 27.059 ( 0.000 0.000 0.000) 0.000 27.285 ( 0.000 0.000 0.000) 0.000 27.528 ( 0.000 0.000 0.000) 0.000 33.599 ( 0.000 0.000 0.000) 0.000 34.040 ( 0.000 0.000 0.000) 0.000 34.128 ( 0.000 0.000 0.000) 0.000 34.325 ( 0.000 0.000 0.000) 0.000 34.565 ( 0.000 0.000 0.000) 0.000 34.700 ( 0.000 0.000 0.000) 0.000 35.479 ( 0.000 0.000 0.000) 0.000 35.785 ( 0.000 0.000 0.000) 0.000 35.795 ( 0.000 0.000 0.000) 0.000 36.043 ( 0.000 0.000 0.000) 0.000 36.704 ( 0.000 0.000 0.000) 0.000 36.765 ( 0.000 0.000 0.000) 0.000 37.914 ( 0.000 0.000 0.000) 0.000 38.136 ( 0.000 0.000 0.000) 0.000 38.710 ( 0.000 0.000 0.000) 0.000 38.773 ( 0.000 0.000 0.000) 0.000 38.776 ( 0.000 0.000 0.000) 0.000 39.009 ( 0.000 0.000 0.000) 0.000 39.023 ( 0.000 0.000 0.000) 0.000 39.215 ( 0.000 0.000 0.000) 0.000 39.362 ( 0.000 0.000 0.000) 0.000 39.472 ( 0.000 0.000 0.000) 0.000 39.655 ( 0.000 0.000 0.000) 0.000 39.884 ( 0.000 0.000 0.000) 0.000 77.093 ( 0.000 0.000 0.000) 0.000 77.183 ( 0.000 0.000 0.000) 0.000 78.157 ( 0.000 0.000 0.000) 0.000 78.326 ( 0.000 0.000 0.000) 0.000 78.328 ( 0.000 0.000 0.000) 0.000 78.435 ( 0.000 0.000 0.000) 0.000 78.753 ( 0.000 0.000 0.000) 0.000 78.864 ( 0.000 0.000 0.000) 0.000 79.715 ( 0.000 0.000 0.000) 0.000 80.509 ( 0.000 0.000 0.000) 0.000 80.514 ( 0.000 0.000 0.000) 0.000 81.231 ( 0.000 0.000 0.000) 0.000 81.796 ( 0.000 0.000 0.000) 0.000 82.320 ( 0.000 0.000 0.000) 0.000 82.498 ( 0.000 0.000 0.000) 0.000 82.856 ( 0.000 0.000 0.000) 0.000 82.885 ( 0.000 0.000 0.000) 0.000 83.569 ( 0.000 0.000 0.000) 0.000 84.147 ( 0.000 0.000 0.000) 0.000 84.275 ( 0.000 0.000 0.000) 0.000 85.007 ( 0.000 0.000 0.000) 0.000 85.940 ( 0.000 0.000 0.000) 0.000 89.266 ( 0.000 0.000 0.000) 0.000 89.996 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 25.328 0.000 3.478) 25.566 0.692 ( 33.733 0.000 -1.652) 33.773 0.955 ( 40.586 0.000 37.644) 55.356 1.832 ( 5.971 0.000 4.957) 7.761 1.919 ( 13.060 0.000 15.361) 20.163 2.047 ( 8.209 0.000 -2.725) 8.650 2.181 ( 6.407 0.000 -2.891) 7.029 2.792 ( 1.466 0.000 -1.638) 2.198 2.889 ( -2.541 0.000 2.968) 3.907 3.202 ( -1.001 0.000 -9.323) 9.377 3.295 ( -8.948 0.000 0.272) 8.953 3.415 ( 8.618 0.000 -3.876) 9.450 3.421 ( 1.880 0.000 -3.848) 4.283 3.697 ( 1.388 0.000 -1.810) 2.281 3.740 ( -3.617 0.000 1.447) 3.896 4.079 ( -4.751 0.000 -5.055) 6.937 4.362 ( -6.514 0.000 -3.174) 7.246 4.377 ( 0.907 0.000 8.739) 8.786 5.114 ( -9.273 0.000 2.198) 9.530 5.359 ( -3.989 0.000 -7.481) 8.478 5.475 ( 2.020 0.000 -7.533) 7.799 5.708 ( -7.257 0.000 -2.351) 7.628 5.712 ( 1.558 0.000 2.101) 2.616 5.885 ( -1.259 0.000 -0.559) 1.378 5.990 ( 1.916 0.000 0.711) 2.044 6.052 ( -0.816 0.000 -0.458) 0.936 6.193 ( -2.311 0.000 -2.219) 3.204 6.457 ( -15.000 0.000 2.165) 15.155 6.872 ( 0.666 0.000 0.467) 0.813 6.886 ( 5.737 0.000 1.017) 5.826 7.072 ( 3.000 0.000 0.591) 3.058 7.224 ( 4.172 0.000 -5.599) 6.983 7.336 ( 1.725 0.000 1.290) 2.155 7.930 ( -4.266 0.000 0.100) 4.267 8.049 ( 2.492 0.000 -18.474) 18.641 8.184 ( -4.349 0.000 0.593) 4.389 8.505 ( 0.101 0.000 1.423) 1.426 8.530 ( 0.630 0.000 -0.285) 0.691 8.652 ( 4.365 0.000 2.186) 4.882 8.970 ( -2.590 0.000 26.503) 26.629 9.230 ( -6.473 0.000 2.468) 6.928 9.585 ( 17.008 0.000 4.955) 17.715 9.662 ( -3.598 0.000 7.921) 8.700 10.001 ( -8.336 0.000 -7.632) 11.302 10.091 ( 10.351 0.000 0.382) 10.358 10.267 ( -3.214 0.000 -20.236) 20.490 10.533 ( 1.442 0.000 -5.827) 6.003 10.580 ( 0.222 0.000 0.734) 0.766 11.353 ( 21.837 0.000 3.925) 22.187 11.452 ( -3.336 0.000 3.709) 4.988 11.570 ( 0.441 0.000 4.959) 4.979 11.951 ( 2.309 0.000 1.296) 2.648 12.432 ( -8.493 0.000 -12.289) 14.938 12.680 ( -0.568 0.000 -0.605) 0.830 13.221 ( 8.329 0.000 3.377) 8.987 13.519 ( -11.247 0.000 -10.463) 15.362 13.786 ( -6.966 0.000 -8.121) 10.700 13.870 ( 1.283 0.000 15.087) 15.142 14.389 ( -12.105 0.000 33.686) 35.795 14.750 ( -4.994 0.000 -2.529) 5.598 17.342 ( 1.487 0.000 -1.054) 1.823 17.546 ( 1.426 0.000 0.513) 1.515 17.807 ( -0.312 0.000 0.794) 0.853 17.882 ( -0.773 0.000 0.514) 0.928 18.106 ( -9.137 0.000 9.777) 13.382 18.206 ( -9.087 0.000 1.141) 9.158 18.286 ( -5.683 0.000 4.162) 7.044 18.338 ( -9.769 0.000 0.648) 9.791 18.421 ( 0.741 0.000 -7.922) 7.956 18.632 ( 5.624 0.000 -9.998) 11.471 18.730 ( 9.840 0.000 5.200) 11.129 18.784 ( 0.846 0.000 -7.488) 7.536 18.938 ( 9.782 0.000 8.586) 13.016 19.064 ( 2.771 0.000 -1.114) 2.987 19.177 ( -2.771 0.000 2.948) 4.046 19.236 ( 5.600 0.000 7.165) 9.094 19.237 ( -3.558 0.000 5.677) 6.699 19.389 ( 3.724 0.000 -2.294) 4.374 19.599 ( 4.814 0.000 1.225) 4.968 19.749 ( 5.460 0.000 -23.592) 24.216 19.761 ( 2.087 0.000 0.072) 2.089 20.010 ( -1.623 0.000 0.379) 1.667 20.168 ( 0.642 0.000 -1.140) 1.308 20.557 ( -4.902 0.000 2.763) 5.628 23.035 ( 0.231 0.000 1.040) 1.065 23.388 ( 0.377 0.000 -2.395) 2.425 23.460 ( -1.282 0.000 0.511) 1.381 23.511 ( 0.633 0.000 1.931) 2.032 23.802 ( 1.358 0.000 1.173) 1.794 24.038 ( -1.766 0.000 1.110) 2.086 24.180 ( -2.229 0.000 -3.489) 4.140 24.221 ( 0.170 0.000 -2.297) 2.304 24.547 ( -4.021 0.000 0.833) 4.107 24.562 ( 4.890 0.000 -5.628) 7.456 24.679 ( 6.711 0.000 -2.915) 7.317 24.991 ( 9.229 0.000 -2.084) 9.461 25.055 ( -6.306 0.000 3.810) 7.367 25.170 ( -4.871 0.000 2.957) 5.699 25.319 ( 6.221 0.000 -7.537) 9.773 25.595 ( 7.323 0.000 -4.886) 8.804 26.167 ( -2.432 0.000 5.547) 6.057 26.283 ( -1.757 0.000 -4.040) 4.406 26.381 ( 0.276 0.000 4.971) 4.979 26.833 ( -4.830 0.000 2.203) 5.309 26.996 ( 0.172 0.000 -16.866) 16.867 27.085 ( 2.748 0.000 -1.693) 3.228 27.138 ( -12.522 0.000 5.167) 13.546 27.614 ( 6.414 0.000 -4.469) 7.818 33.682 ( 7.600 0.000 3.709) 8.457 34.079 ( 3.794 0.000 0.939) 3.908 34.142 ( 1.316 0.000 -1.527) 2.016 34.316 ( -0.558 0.000 0.789) 0.966 34.567 ( 0.562 0.000 -2.806) 2.862 34.671 ( -1.968 0.000 -4.422) 4.840 35.454 ( -2.845 0.000 0.604) 2.908 35.743 ( -5.518 0.000 4.532) 7.140 35.792 ( -0.958 0.000 7.565) 7.626 36.004 ( -5.576 0.000 -2.300) 6.031 36.538 ( -14.414 0.000 -4.774) 15.184 36.587 ( -14.548 0.000 -3.721) 15.017 38.020 ( 3.463 0.000 12.619) 13.085 38.197 ( 4.153 0.000 0.149) 4.156 38.528 ( -13.292 0.000 -6.021) 14.592 38.641 ( -13.318 0.000 -7.775) 15.421 38.810 ( 7.749 0.000 6.557) 10.151 39.088 ( 2.880 0.000 2.858) 4.058 39.110 ( 3.701 0.000 4.947) 6.178 39.260 ( 3.650 0.000 0.212) 3.656 39.395 ( 4.208 0.000 -3.309) 5.353 39.606 ( 11.189 0.000 4.667) 12.123 39.843 ( 3.904 0.000 -16.645) 17.097 40.008 ( 11.263 0.000 -1.457) 11.357 77.173 ( 6.179 0.000 8.820) 10.769 77.739 ( -24.084 0.000 -5.930) 24.803 77.972 ( -27.838 0.000 -15.213) 31.723 78.300 ( -12.702 0.000 60.533) 61.851 78.331 ( 0.209 0.000 1.250) 1.267 78.371 ( 1.779 0.000 -18.638) 18.723 79.205 ( 36.150 0.000 8.589) 37.156 79.429 ( 28.002 0.000 17.513) 33.027 79.762 ( 5.594 0.000 -6.685) 8.717 80.466 ( -3.561 0.000 -5.710) 6.729 81.376 ( 11.613 0.000 -0.944) 11.651 81.729 ( -0.373 0.000 -13.924) 13.929 82.366 ( -0.450 0.000 23.676) 23.681 82.384 ( 0.167 0.000 -9.660) 9.661 82.753 ( 18.428 0.000 -79.838) 81.937 82.865 ( 2.650 0.000 -9.859) 10.209 83.053 ( 11.598 0.000 2.450) 11.854 83.538 ( -2.786 0.000 -3.741) 4.665 84.060 ( -7.737 0.000 -3.892) 8.660 84.408 ( -12.537 0.000 23.195) 26.367 85.975 ( 2.279 0.000 11.189) 11.418 88.761 ( -21.596 0.000 136.292) 137.992 89.141 ( -11.466 0.000 -7.094) 13.483 89.939 ( -5.187 0.000 -2.822) 5.905 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 25.066 0.000 2.703) 25.212 1.282 ( 26.393 0.000 -4.027) 26.699 1.844 ( 34.349 0.000 36.426) 50.068 2.002 ( 9.472 0.000 5.899) 11.159 2.254 ( 13.886 0.000 -4.498) 14.596 2.256 ( 13.344 0.000 2.999) 13.677 2.359 ( 11.394 0.000 9.261) 14.683 2.771 ( -5.042 0.000 2.572) 5.660 2.883 ( 2.261 0.000 4.605) 5.130 3.075 ( -11.594 0.000 0.559) 11.608 3.135 ( -4.169 0.000 0.429) 4.191 3.433 ( -5.085 0.000 -1.062) 5.195 3.441 ( 0.911 0.000 -3.551) 3.666 3.617 ( -6.140 0.000 0.668) 6.176 3.943 ( -6.839 0.000 -8.615) 11.000 3.948 ( 21.102 0.000 -10.815) 23.713 4.163 ( -10.720 0.000 -4.379) 11.580 4.412 ( -0.850 0.000 11.419) 11.450 4.902 ( -11.703 0.000 0.034) 11.703 5.205 ( -7.309 0.000 -10.999) 13.205 5.315 ( -13.168 0.000 -18.132) 22.409 5.674 ( 5.214 0.000 -0.741) 5.266 5.752 ( 0.964 0.000 -1.037) 1.416 5.852 ( -1.769 0.000 -0.178) 1.778 5.913 ( -15.161 0.000 4.601) 15.844 6.042 ( 2.733 0.000 1.597) 3.165 6.161 ( -0.394 0.000 -0.336) 0.518 6.257 ( -3.358 0.000 -0.733) 3.437 6.884 ( 0.351 0.000 0.217) 0.413 6.980 ( 4.061 0.000 1.335) 4.274 7.146 ( 3.705 0.000 1.528) 4.007 7.307 ( 5.407 0.000 -2.496) 5.955 7.392 ( 3.230 0.000 1.700) 3.650 7.796 ( -7.438 0.000 -6.730) 10.031 8.044 ( -0.343 0.000 1.160) 1.210 8.105 ( -3.599 0.000 1.058) 3.752 8.529 ( 1.880 0.000 0.825) 2.053 8.561 ( 2.776 0.000 -3.674) 4.605 8.716 ( 1.743 0.000 -1.122) 2.073 9.064 ( 4.250 0.000 14.150) 14.774 9.072 ( -9.357 0.000 1.347) 9.453 9.548 ( -9.243 0.000 8.213) 12.364 9.884 ( -2.519 0.000 -2.749) 3.729 9.969 ( 15.503 0.000 11.163) 19.104 10.088 ( -7.116 0.000 -15.875) 17.397 10.343 ( 11.038 0.000 4.350) 11.865 10.572 ( 6.271 0.000 -16.955) 18.077 10.617 ( 6.795 0.000 4.671) 8.245 11.406 ( -2.519 0.000 4.680) 5.315 11.582 ( -2.365 0.000 10.417) 10.682 11.853 ( 24.588 0.000 4.797) 25.052 12.071 ( 10.059 0.000 3.698) 10.717 12.178 ( -10.737 0.000 -17.303) 20.363 12.634 ( -3.058 0.000 -6.796) 7.452 13.226 ( -15.249 0.000 -3.767) 15.707 13.430 ( 9.824 0.000 4.120) 10.653 13.558 ( -12.589 0.000 -3.874) 13.172 13.901 ( -2.750 0.000 11.261) 11.592 14.235 ( -11.562 0.000 12.848) 17.285 14.581 ( -10.884 0.000 -4.029) 11.605 17.383 ( 3.184 0.000 -1.790) 3.653 17.561 ( -0.626 0.000 2.393) 2.473 17.784 ( -3.638 0.000 7.300) 8.156 17.862 ( -1.463 0.000 -2.711) 3.081 17.995 ( -4.186 0.000 3.049) 5.179 18.094 ( -1.285 0.000 -0.873) 1.554 18.127 ( -9.265 0.000 -5.279) 10.664 18.215 ( -3.802 0.000 10.968) 11.608 18.454 ( 3.928 0.000 -3.785) 5.455 18.580 ( -2.875 0.000 -13.012) 13.326 18.783 ( -1.220 0.000 -7.191) 7.294 18.870 ( 1.030 0.000 0.058) 1.031 19.110 ( 1.270 0.000 2.606) 2.899 19.156 ( 8.927 0.000 7.499) 11.659 19.189 ( 3.389 0.000 -0.522) 3.429 19.267 ( 5.978 0.000 5.788) 8.321 19.416 ( 9.658 0.000 5.043) 10.895 19.460 ( 4.319 0.000 -1.533) 4.584 19.689 ( 3.217 0.000 3.549) 4.790 19.771 ( 2.631 0.000 -10.092) 10.430 19.808 ( 2.127 0.000 0.126) 2.131 19.969 ( -1.700 0.000 -3.696) 4.068 20.172 ( 0.236 0.000 -2.432) 2.443 20.431 ( -8.465 0.000 1.328) 8.568 23.040 ( -0.234 0.000 1.192) 1.215 23.382 ( -0.207 0.000 -2.334) 2.343 23.434 ( -1.460 0.000 1.026) 1.785 23.539 ( 1.481 0.000 1.226) 1.923 23.853 ( 3.264 0.000 1.522) 3.601 24.010 ( -1.345 0.000 2.315) 2.678 24.123 ( -1.774 0.000 -4.842) 5.157 24.205 ( -0.914 0.000 -3.485) 3.603 24.489 ( -1.704 0.000 -0.023) 1.704 24.655 ( 6.219 0.000 -7.892) 10.048 24.815 ( 5.381 0.000 5.806) 7.916 24.951 ( -4.345 0.000 3.749) 5.739 25.046 ( -5.802 0.000 4.087) 7.097 25.219 ( 11.851 0.000 -3.854) 12.461 25.409 ( 4.455 0.000 -4.482) 6.319 25.750 ( 9.987 0.000 -6.428) 11.877 26.116 ( -5.629 0.000 8.521) 10.212 26.229 ( -1.117 0.000 -6.569) 6.663 26.410 ( 0.431 0.000 6.789) 6.803 26.721 ( -7.579 0.000 4.487) 8.808 26.888 ( -13.567 0.000 4.508) 14.296 26.913 ( -2.752 0.000 -12.702) 12.997 27.149 ( 3.588 0.000 -0.328) 3.603 27.700 ( 3.793 0.000 -4.650) 6.001 33.915 ( 13.831 0.000 6.548) 15.303 34.152 ( 0.484 0.000 -2.426) 2.474 34.200 ( 8.078 0.000 1.616) 8.238 34.327 ( 1.136 0.000 0.000) 1.136 34.563 ( 0.227 0.000 -3.746) 3.753 34.604 ( -2.495 0.000 -5.051) 5.634 35.354 ( -8.010 0.000 -0.373) 8.019 35.628 ( -7.565 0.000 7.011) 10.314 35.752 ( -18.720 0.000 -7.799) 20.279 35.802 ( -1.438 0.000 10.579) 10.676 36.216 ( -14.290 0.000 -6.728) 15.795 36.325 ( -8.337 0.000 -0.608) 8.359 38.134 ( 3.280 0.000 9.437) 9.991 38.259 ( -11.635 0.000 -6.265) 13.214 38.261 ( 2.406 0.000 -0.555) 2.469 38.348 ( -11.578 0.000 -8.055) 14.105 38.991 ( 6.439 0.000 8.060) 10.316 39.141 ( -0.765 0.000 3.458) 3.541 39.162 ( 2.671 0.000 4.135) 4.923 39.342 ( 3.923 0.000 -0.129) 3.925 39.515 ( 8.395 0.000 0.588) 8.416 39.866 ( 3.882 0.000 -14.690) 15.194 39.871 ( 12.539 0.000 4.569) 13.346 40.243 ( 11.749 0.000 -1.714) 11.874 77.316 ( -16.309 0.000 -5.297) 17.148 77.376 ( 9.091 0.000 16.120) 18.507 77.442 ( -20.510 0.000 -10.332) 22.965 78.228 ( -8.178 0.000 13.364) 15.668 78.341 ( 0.231 0.000 1.273) 1.294 78.355 ( 1.630 0.000 -8.284) 8.443 79.862 ( 7.397 0.000 -12.348) 14.394 79.944 ( 20.564 0.000 15.963) 26.032 79.989 ( 35.235 0.000 11.189) 36.969 80.350 ( -5.739 0.000 -4.752) 7.452 81.387 ( -3.150 0.000 -23.339) 23.550 81.947 ( 19.288 0.000 4.290) 19.760 82.422 ( 8.758 0.000 -13.562) 16.144 82.454 ( -0.680 0.000 31.395) 31.403 82.879 ( 4.260 0.000 -21.712) 22.126 82.884 ( 11.041 0.000 -14.749) 18.424 83.273 ( 8.495 0.000 4.405) 9.569 83.414 ( -9.095 0.000 -1.418) 9.205 83.847 ( -10.263 0.000 -9.496) 13.982 84.176 ( -15.996 0.000 6.677) 17.334 86.163 ( 11.704 0.000 25.092) 27.688 88.764 ( -22.455 0.000 -15.897) 27.513 88.861 ( -4.564 0.000 61.839) 62.007 89.781 ( -8.883 0.000 -6.280) 10.878 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 23.618 0.000 1.852) 23.691 1.678 ( 15.189 0.000 -5.600) 16.188 2.131 ( 3.241 0.000 8.050) 8.678 2.369 ( -8.683 0.000 -3.765) 9.464 2.510 ( 16.688 0.000 5.706) 17.636 2.511 ( 6.962 0.000 -3.842) 7.952 2.665 ( 30.142 0.000 17.187) 34.698 2.785 ( 4.740 0.000 8.625) 9.841 2.879 ( -8.369 0.000 6.159) 10.391 3.023 ( 8.339 0.000 13.854) 16.171 3.033 ( -7.527 0.000 3.077) 8.131 3.309 ( -6.084 0.000 3.472) 7.005 3.433 ( -0.156 0.000 -1.701) 1.708 3.512 ( -4.235 0.000 0.110) 4.237 3.738 ( -9.584 0.000 -14.855) 17.678 3.811 ( -16.260 0.000 -18.795) 24.852 4.442 ( 25.252 0.000 -2.877) 25.415 4.443 ( -0.137 0.000 12.658) 12.659 4.692 ( -8.249 0.000 -1.346) 8.358 4.984 ( -11.647 0.000 -17.022) 20.625 5.033 ( -5.632 0.000 -8.184) 9.934 5.484 ( -22.142 0.000 0.124) 22.143 5.778 ( 3.168 0.000 -3.101) 4.433 5.824 ( 0.601 0.000 4.168) 4.211 5.836 ( 1.447 0.000 0.756) 1.632 6.101 ( 2.440 0.000 1.801) 3.033 6.161 ( -0.070 0.000 0.630) 0.634 6.241 ( 0.424 0.000 -1.506) 1.564 6.890 ( 0.252 0.000 0.108) 0.274 7.076 ( 5.088 0.000 2.579) 5.705 7.213 ( 2.195 0.000 1.583) 2.706 7.394 ( 2.898 0.000 -0.621) 2.963 7.459 ( 2.584 0.000 1.066) 2.796 7.619 ( -6.853 0.000 -6.761) 9.627 8.036 ( -1.337 0.000 3.953) 4.173 8.054 ( -1.866 0.000 0.432) 1.915 8.590 ( 4.284 0.000 0.376) 4.301 8.602 ( 2.448 0.000 -2.723) 3.661 8.718 ( -0.740 0.000 -2.015) 2.147 8.890 ( -9.161 0.000 0.256) 9.164 9.184 ( 2.873 0.000 4.058) 4.972 9.461 ( -1.710 0.000 12.610) 12.725 9.801 ( -4.515 0.000 -9.739) 10.735 9.932 ( -3.764 0.000 -4.814) 6.111 10.217 ( 5.890 0.000 8.094) 10.010 10.471 ( 4.163 0.000 3.361) 5.350 10.598 ( 0.909 0.000 -3.331) 3.453 10.962 ( 19.866 0.000 -5.087) 20.507 11.405 ( 1.254 0.000 5.279) 5.426 11.545 ( -4.755 0.000 8.670) 9.888 11.956 ( -3.896 0.000 -11.863) 12.486 12.220 ( 12.860 0.000 1.103) 12.907 12.424 ( 19.259 0.000 6.790) 20.421 12.477 ( -10.366 0.000 -12.740) 16.424 12.949 ( -10.680 0.000 3.023) 11.099 13.248 ( -14.283 0.000 -1.252) 14.338 13.666 ( 10.527 0.000 1.708) 10.664 13.864 ( -3.322 0.000 5.500) 6.426 14.047 ( -9.805 0.000 3.607) 10.447 14.315 ( -13.553 0.000 -3.345) 13.960 17.454 ( 4.657 0.000 -2.408) 5.242 17.557 ( -0.545 0.000 4.176) 4.211 17.723 ( -5.799 0.000 10.993) 12.429 17.792 ( -3.136 0.000 -6.198) 6.946 17.934 ( -2.304 0.000 -7.099) 7.464 17.977 ( -3.655 0.000 -0.175) 3.659 18.145 ( 4.463 0.000 1.772) 4.802 18.208 ( -1.321 0.000 10.047) 10.133 18.502 ( -0.060 0.000 -9.569) 9.570 18.541 ( 5.817 0.000 -1.597) 6.032 18.678 ( -6.157 0.000 -4.944) 7.896 18.803 ( -5.802 0.000 -0.916) 5.874 19.146 ( 1.178 0.000 3.291) 3.496 19.252 ( 2.806 0.000 -2.806) 3.968 19.326 ( 5.386 0.000 5.618) 7.783 19.443 ( 7.087 0.000 2.986) 7.691 19.564 ( 6.821 0.000 1.502) 6.984 19.610 ( 7.868 0.000 0.378) 7.878 19.755 ( 2.059 0.000 5.119) 5.517 19.767 ( -0.843 0.000 -3.577) 3.675 19.837 ( 0.648 0.000 0.932) 1.135 19.937 ( 1.504 0.000 -7.791) 7.934 20.153 ( -1.118 0.000 -3.100) 3.296 20.243 ( -10.716 0.000 1.850) 10.874 23.035 ( -0.480 0.000 0.645) 0.804 23.366 ( -0.624 0.000 -0.988) 1.169 23.415 ( -0.763 0.000 0.984) 1.245 23.571 ( 1.442 0.000 -0.378) 1.490 23.930 ( 3.371 0.000 2.498) 4.196 24.010 ( 0.205 0.000 3.700) 3.705 24.077 ( -1.140 0.000 -4.697) 4.834 24.161 ( -1.924 0.000 -3.857) 4.310 24.477 ( 0.349 0.000 -0.739) 0.818 24.729 ( 4.293 0.000 -8.892) 9.874 24.823 ( -4.301 0.000 6.612) 7.887 24.948 ( -4.632 0.000 2.842) 5.435 25.020 ( 6.834 0.000 5.090) 8.521 25.436 ( -0.703 0.000 -2.690) 2.781 25.458 ( 13.239 0.000 -4.276) 13.912 25.917 ( 8.236 0.000 -5.362) 9.828 25.995 ( -9.626 0.000 7.436) 12.163 26.225 ( 3.684 0.000 -6.491) 7.464 26.441 ( 0.110 0.000 5.544) 5.545 26.574 ( -8.600 0.000 4.451) 9.684 26.668 ( -9.571 0.000 4.393) 10.530 26.819 ( -2.317 0.000 -8.272) 8.590 27.211 ( 2.493 0.000 0.082) 2.495 27.734 ( 1.288 0.000 -3.203) 3.452 34.162 ( 1.536 0.000 -1.035) 1.852 34.256 ( 17.480 0.000 7.836) 19.156 34.315 ( -2.370 0.000 -2.659) 3.562 34.407 ( 11.774 0.000 2.315) 11.999 34.554 ( -0.397 0.000 -1.036) 1.110 34.570 ( 1.123 0.000 -3.482) 3.658 35.119 ( -14.630 0.000 -4.110) 15.197 35.297 ( -21.937 0.000 -6.589) 22.905 35.520 ( -5.294 0.000 6.092) 8.071 35.809 ( -1.104 0.000 7.035) 7.121 35.984 ( -6.803 0.000 -3.716) 7.752 36.235 ( -2.129 0.000 0.125) 2.132 38.039 ( -7.676 0.000 -4.717) 9.009 38.161 ( -5.200 0.000 -4.569) 6.922 38.206 ( 1.469 0.000 4.553) 4.784 38.292 ( 1.023 0.000 -0.347) 1.080 39.102 ( 2.350 0.000 6.200) 6.630 39.133 ( -0.691 0.000 1.721) 1.855 39.211 ( 1.549 0.000 0.331) 1.584 39.401 ( 2.014 0.000 -0.021) 2.014 39.696 ( 7.242 0.000 8.088) 10.856 39.877 ( 2.187 0.000 -14.437) 14.602 40.090 ( 7.608 0.000 2.673) 8.064 40.424 ( 6.719 0.000 -1.208) 6.827 77.063 ( -8.171 0.000 -1.624) 8.331 77.106 ( -10.336 0.000 -6.606) 12.266 77.619 ( 8.518 0.000 19.216) 21.019 78.088 ( -6.591 0.000 -8.255) 10.563 78.347 ( 0.240 0.000 0.032) 0.242 78.365 ( 0.806 0.000 -1.050) 1.323 79.944 ( 5.271 0.000 -12.675) 13.727 80.231 ( -4.948 0.000 0.665) 4.993 80.307 ( 12.026 0.000 19.043) 22.522 80.588 ( 15.601 0.000 -3.391) 15.965 81.361 ( 12.961 0.000 -6.605) 14.547 82.187 ( 0.697 0.000 -10.228) 10.252 82.568 ( 0.434 0.000 32.546) 32.549 82.622 ( 15.569 0.000 -16.106) 22.400 82.864 ( 3.081 0.000 -30.541) 30.696 83.039 ( 4.784 0.000 8.607) 9.848 83.234 ( -7.461 0.000 15.042) 16.791 83.397 ( 1.702 0.000 7.867) 8.049 83.621 ( -7.711 0.000 -16.481) 18.196 83.865 ( -14.389 0.000 -4.015) 14.939 86.649 ( 26.234 0.000 35.035) 43.768 88.155 ( -31.168 0.000 -25.935) 40.547 89.022 ( 3.032 0.000 33.416) 33.553 89.562 ( -9.562 0.000 -10.316) 14.066 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 0.000 -0.000) 0.000 1.873 ( 0.000 0.000 -0.000) 0.000 2.115 ( -0.000 0.000 -0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.834 ( -0.000 0.000 -0.000) 0.000 2.876 ( 0.000 0.000 -0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.236 ( -0.000 0.000 0.000) 0.000 3.435 ( -0.000 0.000 -0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.476 ( -0.000 0.000 -0.000) 0.000 3.521 ( -0.000 0.000 -0.000) 0.000 4.478 ( 0.000 0.000 -0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 -0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.129 ( -0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 -0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 -0.000) 0.000 7.156 ( 0.000 0.000 -0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 -0.000) 0.000 7.488 ( 0.000 0.000 -0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 -0.000) 0.000 8.036 ( 0.000 0.000 -0.000) 0.000 8.627 ( 0.000 0.000 -0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 -0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 -0.000) 0.000 9.511 ( 0.000 0.000 -0.000) 0.000 9.705 ( 0.000 0.000 0.000) 0.000 9.891 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 -0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 -0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 -0.000) 0.000 11.969 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.380 ( 0.000 0.000 -0.000) 0.000 12.654 ( 0.000 0.000 0.000) 0.000 12.856 ( 0.000 0.000 -0.000) 0.000 13.075 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 13.943 ( 0.000 0.000 -0.000) 0.000 14.124 ( 0.000 0.000 -0.000) 0.000 17.515 ( 0.000 0.000 -0.000) 0.000 17.565 ( 0.000 0.000 -0.000) 0.000 17.665 ( -0.000 0.000 0.000) 0.000 17.740 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 -0.000) 0.000 17.949 ( 0.000 0.000 0.000) 0.000 18.209 ( -0.000 0.000 0.000) 0.000 18.213 ( 0.000 0.000 -0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 18.564 ( -0.000 0.000 -0.000) 0.000 18.645 ( 0.000 0.000 0.000) 0.000 18.693 ( 0.000 0.000 -0.000) 0.000 19.167 ( 0.000 0.000 0.000) 0.000 19.273 ( 0.000 0.000 0.000) 0.000 19.391 ( 0.000 0.000 0.000) 0.000 19.517 ( 0.000 0.000 -0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 19.714 ( 0.000 0.000 -0.000) 0.000 19.794 ( 0.000 0.000 -0.000) 0.000 19.845 ( 0.000 0.000 -0.000) 0.000 19.982 ( 0.000 0.000 -0.000) 0.000 20.083 ( -0.000 0.000 0.000) 0.000 20.128 ( 0.000 0.000 -0.000) 0.000 23.030 ( 0.000 0.000 0.000) 0.000 23.357 ( 0.000 0.000 0.000) 0.000 23.410 ( 0.000 0.000 -0.000) 0.000 23.585 ( 0.000 0.000 -0.000) 0.000 23.978 ( 0.000 0.000 -0.000) 0.000 24.027 ( 0.000 0.000 -0.000) 0.000 24.051 ( 0.000 0.000 0.000) 0.000 24.126 ( 0.000 0.000 -0.000) 0.000 24.482 ( 0.000 0.000 -0.000) 0.000 24.762 ( -0.000 0.000 0.000) 0.000 24.781 ( 0.000 0.000 -0.000) 0.000 24.904 ( 0.000 0.000 -0.000) 0.000 25.121 ( 0.000 0.000 0.000) 0.000 25.402 ( 0.000 0.000 0.000) 0.000 25.640 ( 0.000 0.000 -0.000) 0.000 25.852 ( 0.000 0.000 -0.000) 0.000 26.000 ( 0.000 0.000 -0.000) 0.000 26.287 ( 0.000 0.000 -0.000) 0.000 26.430 ( 0.000 0.000 0.000) 0.000 26.484 ( 0.000 0.000 0.000) 0.000 26.575 ( 0.000 0.000 -0.000) 0.000 26.779 ( 0.000 0.000 -0.000) 0.000 27.238 ( 0.000 0.000 -0.000) 0.000 27.739 ( 0.000 0.000 -0.000) 0.000 34.193 ( 0.000 0.000 0.000) 0.000 34.261 ( 0.000 0.000 -0.000) 0.000 34.547 ( 0.000 0.000 0.000) 0.000 34.564 ( 0.000 0.000 -0.000) 0.000 34.575 ( 0.000 0.000 0.000) 0.000 34.584 ( 0.000 0.000 0.000) 0.000 34.861 ( 0.000 0.000 -0.000) 0.000 34.995 ( -0.000 0.000 -0.000) 0.000 35.477 ( 0.000 0.000 -0.000) 0.000 35.810 ( 0.000 0.000 -0.000) 0.000 35.914 ( 0.000 0.000 -0.000) 0.000 36.216 ( 0.000 0.000 0.000) 0.000 37.952 ( 0.000 0.000 -0.000) 0.000 38.103 ( 0.000 0.000 0.000) 0.000 38.228 ( 0.000 0.000 -0.000) 0.000 38.301 ( 0.000 0.000 0.000) 0.000 39.129 ( 0.000 0.000 0.000) 0.000 39.135 ( 0.000 0.000 0.000) 0.000 39.227 ( 0.000 0.000 -0.000) 0.000 39.421 ( 0.000 0.000 0.000) 0.000 39.822 ( 0.000 0.000 0.000) 0.000 39.838 ( -0.000 0.000 -0.000) 0.000 40.172 ( 0.000 0.000 0.000) 0.000 40.489 ( 0.000 0.000 -0.000) 0.000 76.979 ( 0.000 0.000 0.000) 0.000 76.993 ( 0.000 0.000 -0.000) 0.000 77.788 ( 0.000 0.000 -0.000) 0.000 77.959 ( 0.000 0.000 0.000) 0.000 78.350 ( 0.000 0.000 0.000) 0.000 78.372 ( 0.000 0.000 -0.000) 0.000 79.974 ( 0.000 0.000 -0.000) 0.000 80.180 ( 0.000 0.000 0.000) 0.000 80.558 ( 0.000 0.000 0.000) 0.000 80.576 ( -0.000 0.000 -0.000) 0.000 81.733 ( 0.000 0.000 -0.000) 0.000 81.962 ( 0.000 0.000 0.000) 0.000 82.672 ( 0.000 0.000 0.000) 0.000 82.790 ( 0.000 0.000 -0.000) 0.000 82.793 ( 0.000 0.000 0.000) 0.000 83.101 ( 0.000 0.000 -0.000) 0.000 83.254 ( 0.000 0.000 -0.000) 0.000 83.412 ( 0.000 0.000 0.000) 0.000 83.473 ( 0.000 0.000 0.000) 0.000 83.690 ( 0.000 0.000 0.000) 0.000 87.352 ( 0.000 0.000 0.000) 0.000 87.426 ( -0.000 0.000 -0.000) 0.000 89.158 ( 0.000 0.000 0.000) 0.000 89.403 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 21.994 0.000) 21.994 0.587 ( 0.000 25.650 0.000) 25.650 1.055 ( 0.000 45.099 0.000) 45.099 1.648 ( 0.000 -9.626 0.000) 9.626 1.772 ( 0.000 -2.174 0.000) 2.174 2.084 ( 0.000 9.920 0.000) 9.920 2.303 ( 0.000 1.976 0.000) 1.976 2.822 ( 0.000 2.329 0.000) 2.329 2.927 ( 0.000 1.142 0.000) 1.142 3.064 ( 0.000 -6.643 0.000) 6.643 3.205 ( 0.000 -3.811 0.000) 3.811 3.331 ( 0.000 -3.340 0.000) 3.340 3.651 ( 0.000 14.381 0.000) 14.381 3.673 ( 0.000 -1.839 0.000) 1.839 3.765 ( 0.000 -1.565 0.000) 1.565 4.169 ( 0.000 1.806 0.000) 1.806 4.372 ( 0.000 -2.238 0.000) 2.238 4.410 ( 0.000 4.881 0.000) 4.881 5.066 ( 0.000 -9.052 0.000) 9.052 5.420 ( 0.000 -0.011 0.000) 0.011 5.433 ( 0.000 2.545 0.000) 2.545 5.595 ( 0.000 -7.224 0.000) 7.224 5.842 ( 0.000 3.358 0.000) 3.358 5.885 ( 0.000 -1.359 0.000) 1.359 6.055 ( 0.000 -4.091 0.000) 4.091 6.099 ( 0.000 0.428 0.000) 0.428 6.244 ( 0.000 3.505 0.000) 3.505 6.692 ( 0.000 -3.472 0.000) 3.472 6.759 ( 0.000 7.023 0.000) 7.023 6.948 ( 0.000 1.370 0.000) 1.370 7.172 ( 0.000 0.265 0.000) 0.265 7.245 ( 0.000 -0.960 0.000) 0.960 7.458 ( 0.000 4.501 0.000) 4.501 7.708 ( 0.000 0.408 0.000) 0.408 7.999 ( 0.000 1.610 0.000) 1.610 8.174 ( 0.000 -5.308 0.000) 5.308 8.524 ( 0.000 0.121 0.000) 0.121 8.539 ( 0.000 -0.592 0.000) 0.592 8.619 ( 0.000 -8.247 0.000) 8.247 8.964 ( 0.000 -1.401 0.000) 1.401 9.199 ( 0.000 -4.149 0.000) 4.149 9.393 ( 0.000 -19.745 0.000) 19.745 9.467 ( 0.000 4.348 0.000) 4.348 9.884 ( 0.000 -5.226 0.000) 5.226 9.950 ( 0.000 8.304 0.000) 8.304 10.386 ( 0.000 8.161 0.000) 8.161 10.586 ( 0.000 4.669 0.000) 4.669 10.775 ( 0.000 -5.498 0.000) 5.498 11.159 ( 0.000 3.767 0.000) 3.767 11.563 ( 0.000 0.916 0.000) 0.916 11.586 ( 0.000 4.551 0.000) 4.551 11.823 ( 0.000 -8.559 0.000) 8.559 12.586 ( 0.000 -2.221 0.000) 2.221 12.676 ( 0.000 -0.698 0.000) 0.698 13.165 ( 0.000 3.323 0.000) 3.323 13.541 ( 0.000 -8.762 0.000) 8.762 13.770 ( 0.000 3.757 0.000) 3.757 13.993 ( 0.000 -0.691 0.000) 0.691 14.259 ( 0.000 10.650 0.000) 10.650 14.772 ( 0.000 -2.888 0.000) 2.888 17.370 ( 0.000 3.660 0.000) 3.660 17.559 ( 0.000 2.878 0.000) 2.878 17.831 ( 0.000 1.785 0.000) 1.785 17.833 ( 0.000 -5.332 0.000) 5.332 18.151 ( 0.000 -6.210 0.000) 6.210 18.222 ( 0.000 -3.140 0.000) 3.140 18.331 ( 0.000 -1.263 0.000) 1.263 18.379 ( 0.000 -2.698 0.000) 2.698 18.511 ( 0.000 4.803 0.000) 4.803 18.571 ( 0.000 2.871 0.000) 2.871 18.628 ( 0.000 3.456 0.000) 3.456 18.733 ( 0.000 -2.148 0.000) 2.148 18.915 ( 0.000 4.277 0.000) 4.277 18.996 ( 0.000 -5.854 0.000) 5.854 19.129 ( 0.000 -2.345 0.000) 2.345 19.196 ( 0.000 -0.457 0.000) 0.457 19.362 ( 0.000 0.473 0.000) 0.473 19.401 ( 0.000 -0.010 0.000) 0.010 19.509 ( 0.000 4.428 0.000) 4.428 19.600 ( 0.000 5.073 0.000) 5.073 19.979 ( 0.000 -0.581 0.000) 0.581 20.138 ( 0.000 -1.841 0.000) 1.841 20.139 ( 0.000 -0.283 0.000) 0.283 20.196 ( 0.000 -1.673 0.000) 1.673 23.046 ( 0.000 1.544 0.000) 1.544 23.319 ( 0.000 -6.984 0.000) 6.984 23.603 ( 0.000 3.308 0.000) 3.308 23.729 ( 0.000 9.151 0.000) 9.151 23.868 ( 0.000 -2.870 0.000) 2.870 24.196 ( 0.000 -2.083 0.000) 2.083 24.253 ( 0.000 2.674 0.000) 2.674 24.485 ( 0.000 -2.365 0.000) 2.365 24.529 ( 0.000 0.580 0.000) 0.580 24.575 ( 0.000 2.214 0.000) 2.214 24.603 ( 0.000 0.163 0.000) 0.163 24.905 ( 0.000 -5.024 0.000) 5.024 25.168 ( 0.000 3.047 0.000) 3.047 25.230 ( 0.000 -1.129 0.000) 1.129 25.263 ( 0.000 -0.703 0.000) 0.703 25.488 ( 0.000 -3.199 0.000) 3.199 26.123 ( 0.000 -1.078 0.000) 1.078 26.145 ( 0.000 -3.119 0.000) 3.119 26.477 ( 0.000 7.936 0.000) 7.936 26.886 ( 0.000 -3.238 0.000) 3.238 26.919 ( 0.000 3.305 0.000) 3.305 27.110 ( 0.000 2.996 0.000) 2.996 27.270 ( 0.000 -0.717 0.000) 0.717 27.520 ( 0.000 -3.005 0.000) 3.005 33.624 ( 0.000 2.273 0.000) 2.273 33.937 ( 0.000 -6.242 0.000) 6.242 34.212 ( 0.000 4.720 0.000) 4.720 34.373 ( 0.000 4.088 0.000) 4.088 34.528 ( 0.000 -3.409 0.000) 3.409 34.673 ( 0.000 -2.983 0.000) 2.983 35.490 ( 0.000 1.236 0.000) 1.236 35.722 ( 0.000 -4.552 0.000) 4.552 35.891 ( 0.000 7.568 0.000) 7.568 36.125 ( 0.000 5.927 0.000) 5.927 36.642 ( 0.000 -5.252 0.000) 5.252 36.717 ( 0.000 -4.247 0.000) 4.247 37.918 ( 0.000 0.620 0.000) 0.620 38.101 ( 0.000 -3.023 0.000) 3.023 38.713 ( 0.000 0.896 0.000) 0.896 38.777 ( 0.000 0.083 0.000) 0.083 38.803 ( 0.000 1.872 0.000) 1.872 38.967 ( 0.000 -2.616 0.000) 2.616 39.094 ( 0.000 5.009 0.000) 5.009 39.374 ( 0.000 1.422 0.000) 1.422 39.447 ( 0.000 -2.025 0.000) 2.025 39.574 ( 0.000 3.617 0.000) 3.617 39.623 ( 0.000 -2.773 0.000) 2.773 39.858 ( 0.000 -2.391 0.000) 2.391 77.091 ( 0.000 -0.127 0.000) 0.127 77.157 ( 0.000 -2.042 0.000) 2.042 78.263 ( 0.000 -2.675 0.000) 2.675 78.305 ( 0.000 -1.740 0.000) 1.740 78.534 ( 0.000 4.972 0.000) 4.972 78.699 ( 0.000 -1.535 0.000) 1.535 78.971 ( 0.000 10.140 0.000) 10.140 79.751 ( 0.000 1.808 0.000) 1.808 80.180 ( 0.000 -12.956 0.000) 12.956 80.433 ( 0.000 -6.528 0.000) 6.528 80.791 ( 0.000 12.418 0.000) 12.418 81.228 ( 0.000 -0.753 0.000) 0.753 81.834 ( 0.000 3.457 0.000) 3.457 82.450 ( 0.000 -16.862 0.000) 16.862 82.530 ( 0.000 3.226 0.000) 3.226 83.032 ( 0.000 -6.409 0.000) 6.409 83.362 ( 0.000 22.400 0.000) 22.400 84.136 ( 0.000 4.604 0.000) 4.604 84.224 ( 0.000 -4.553 0.000) 4.553 84.886 ( 0.000 -10.399 0.000) 10.399 85.984 ( 0.000 3.250 0.000) 3.250 86.101 ( 0.000 -0.753 0.000) 0.753 89.335 ( 0.000 6.184 0.000) 6.184 89.929 ( 0.000 -6.035 0.000) 6.035 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 18.887 16.845 2.728) 25.454 1.037 ( 29.467 13.748 32.252) 45.799 1.224 ( 18.519 32.480 1.883) 37.436 1.797 ( 5.132 -3.800 0.627) 6.416 1.848 ( 14.295 -6.489 17.566) 23.559 2.137 ( 5.730 7.381 -3.833) 10.099 2.290 ( 2.123 6.714 -1.477) 7.195 2.831 ( 1.129 2.167 -1.855) 3.067 2.906 ( -2.563 0.494 2.438) 3.572 3.074 ( -1.499 -8.956 0.700) 9.107 3.198 ( -1.250 -3.084 -3.156) 4.586 3.375 ( 3.749 -2.783 -0.775) 4.733 3.587 ( -4.120 4.144 -2.898) 6.523 3.700 ( -3.895 -1.490 -1.137) 4.322 3.774 ( 8.163 9.565 -0.685) 12.593 4.109 ( -4.190 2.538 -5.277) 7.200 4.322 ( -5.596 -2.861 -3.427) 7.158 4.443 ( 1.123 5.117 7.782) 9.381 5.033 ( -4.217 -6.388 0.767) 7.692 5.332 ( -3.430 -2.490 -9.124) 10.061 5.461 ( -1.060 0.810 -4.481) 4.675 5.617 ( 1.338 -6.729 3.440) 7.674 5.722 ( -8.746 0.994 -4.329) 9.809 5.898 ( -0.057 0.576 -1.460) 1.571 6.020 ( -1.421 -1.053 -0.205) 1.781 6.094 ( 0.065 -0.702 -1.441) 1.604 6.217 ( -2.164 4.897 -0.635) 5.391 6.499 ( -13.564 2.541 1.209) 13.853 6.820 ( 2.529 2.058 -0.499) 3.299 6.964 ( 0.860 1.043 2.303) 2.671 7.146 ( -0.733 1.786 -0.182) 1.939 7.260 ( 3.308 1.519 -5.130) 6.290 7.381 ( -0.894 5.486 -0.860) 5.625 7.843 ( 1.988 -7.849 -6.315) 10.268 7.997 ( -0.386 0.155 0.769) 0.874 8.154 ( -0.934 -2.036 1.516) 2.705 8.497 ( -0.790 -0.032 -1.317) 1.536 8.546 ( 1.700 -0.060 -1.839) 2.505 8.661 ( 2.308 -4.475 2.881) 5.801 8.840 ( -4.045 -2.827 10.989) 12.047 9.229 ( -3.517 -3.828 8.409) 9.886 9.397 ( 1.530 -13.546 7.451) 15.536 9.627 ( 11.649 -3.378 -4.036) 12.783 9.878 ( 1.048 2.571 1.999) 3.421 10.119 ( 6.388 -3.330 -13.444) 15.252 10.421 ( 3.810 11.942 0.383) 12.541 10.572 ( -0.186 3.076 -1.312) 3.349 10.756 ( -5.153 2.598 -5.254) 7.805 11.157 ( 9.626 -4.799 5.723) 12.184 11.534 ( -3.509 -1.816 0.816) 4.034 11.603 ( 2.899 5.257 8.253) 10.205 11.882 ( 5.174 -4.029 1.498) 6.726 12.506 ( -5.378 2.784 -9.298) 11.097 12.647 ( -1.900 -1.738 -3.973) 4.734 13.228 ( 5.542 0.062 3.088) 6.344 13.445 ( -9.980 -6.828 -7.866) 14.425 13.769 ( -0.880 4.284 2.231) 4.910 14.005 ( -3.125 1.660 10.183) 10.780 14.268 ( -3.905 0.894 14.022) 14.583 14.711 ( -5.879 -3.592 -2.187) 7.228 17.370 ( 0.708 2.749 -1.845) 3.386 17.554 ( -0.989 0.557 0.461) 1.225 17.815 ( -0.244 -2.240 1.442) 2.676 17.840 ( -1.102 -1.794 -0.641) 2.201 18.068 ( -4.869 -2.476 2.786) 6.131 18.199 ( -8.245 -0.382 3.412) 8.931 18.212 ( -5.172 -0.656 4.229) 6.713 18.388 ( 0.678 -2.137 -2.239) 3.169 18.471 ( -7.721 5.446 -4.218) 10.347 18.577 ( 4.964 -4.219 -9.067) 11.165 18.728 ( 11.003 2.457 -3.533) 11.815 18.877 ( 2.824 -0.762 5.765) 6.464 18.892 ( 1.942 5.776 0.173) 6.097 19.037 ( 1.155 -3.924 7.012) 8.118 19.151 ( 8.132 -5.174 1.720) 9.791 19.290 ( -2.197 3.370 6.136) 7.337 19.337 ( 6.481 -2.547 -4.369) 8.220 19.368 ( -1.728 8.897 0.213) 9.066 19.467 ( 2.388 -3.547 -6.549) 7.821 19.745 ( 5.304 0.469 1.179) 5.454 19.891 ( -4.112 3.161 -6.992) 8.706 19.995 ( -2.290 -1.042 -0.983) 2.701 20.175 ( 1.830 0.843 -0.985) 2.243 20.402 ( 4.877 -7.317 2.881) 9.254 23.049 ( 0.109 1.492 0.825) 1.709 23.315 ( -0.607 -6.649 0.405) 6.689 23.573 ( -2.972 5.422 0.683) 6.221 23.670 ( -4.225 7.214 1.890) 8.571 23.879 ( 0.533 2.976 -1.189) 3.249 24.160 ( -3.983 0.144 -0.951) 4.098 24.204 ( -10.345 9.381 -2.242) 14.144 24.253 ( -0.194 2.863 -1.216) 3.116 24.533 ( -0.713 -1.366 -2.094) 2.600 24.544 ( 0.189 -1.633 -2.384) 2.896 24.699 ( 7.021 2.058 -0.033) 7.316 24.968 ( 7.748 -2.787 -1.989) 8.471 25.068 ( -7.178 0.982 2.050) 7.529 25.153 ( -6.352 -1.408 2.906) 7.126 25.322 ( 6.674 0.766 -6.540) 9.375 25.555 ( 6.668 -3.413 -5.006) 9.010 26.133 ( -1.404 -1.941 4.491) 5.090 26.213 ( 3.051 -4.297 -2.565) 5.861 26.482 ( -0.346 7.762 4.176) 8.821 26.850 ( -6.266 1.190 0.811) 6.429 26.895 ( -0.177 -4.299 -4.995) 6.593 27.094 ( -6.367 -2.118 6.835) 9.578 27.197 ( -0.942 5.635 -5.500) 7.930 27.586 ( 5.543 -3.042 -5.002) 8.062 33.704 ( 7.398 2.077 3.610) 8.490 33.989 ( 4.932 -5.492 1.482) 7.529 34.206 ( -0.330 3.583 -1.541) 3.914 34.354 ( -1.207 2.723 -0.351) 2.999 34.539 ( 1.101 -2.201 -2.276) 3.352 34.649 ( -1.526 -2.070 -4.505) 5.187 35.476 ( -1.489 1.972 1.864) 3.096 35.720 ( -1.505 -4.790 5.037) 7.112 35.820 ( -7.162 6.730 3.686) 10.496 36.095 ( -4.369 6.606 -1.407) 8.045 36.473 ( -14.454 -6.042 -3.026) 15.955 36.534 ( -13.837 -4.065 -7.010) 16.035 38.011 ( 5.168 0.053 10.510) 11.711 38.167 ( 4.502 -2.594 1.318) 5.360 38.539 ( -13.256 1.015 -5.376) 14.340 38.637 ( -13.617 -0.718 -7.115) 15.380 38.826 ( 6.892 1.620 4.955) 8.642 39.017 ( 3.675 -3.036 2.855) 5.556 39.202 ( 4.395 5.345 6.139) 9.251 39.363 ( -3.304 3.955 0.270) 5.161 39.426 ( 2.331 3.040 -2.999) 4.865 39.583 ( 11.006 -2.128 3.806) 11.839 39.797 ( 8.011 -1.895 -10.992) 13.733 39.982 ( 11.233 -2.575 -1.764) 11.658 77.159 ( 5.111 -1.040 7.493) 9.130 77.383 ( 5.620 -15.647 13.087) 21.159 77.939 ( -26.525 1.872 -11.313) 28.897 78.234 ( -14.830 -5.598 10.719) 19.135 78.356 ( 0.270 1.544 -10.499) 10.615 78.389 ( -9.011 2.309 -0.833) 9.339 79.385 ( 12.670 3.141 -0.948) 13.088 79.622 ( 13.725 5.769 0.866) 14.913 79.798 ( 3.521 9.888 -0.638) 10.515 80.756 ( -0.276 16.061 -2.209) 16.215 81.405 ( 16.488 -7.984 -1.959) 18.424 81.429 ( 24.574 -14.493 9.861) 30.185 81.987 ( 11.951 -3.247 12.354) 17.493 82.345 ( -2.659 -8.075 -4.572) 9.653 82.663 ( 8.576 -4.232 -10.390) 14.121 82.989 ( 2.452 -0.145 -26.127) 26.242 83.419 ( 5.128 20.282 -1.156) 20.952 83.816 ( -14.967 13.008 -25.790) 32.533 84.140 ( -6.298 5.684 -8.638) 12.107 84.456 ( -16.750 4.874 13.419) 22.009 86.008 ( 2.610 3.161 14.670) 15.232 87.433 ( 44.038 -65.786 91.188) 120.758 89.224 ( -10.269 6.365 -6.340) 13.644 89.860 ( -6.323 -6.822 -2.965) 9.763 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 18.566 11.827 3.365) 22.269 1.514 ( 19.492 19.015 -1.899) 27.297 1.877 ( 25.622 1.506 30.892) 40.163 1.965 ( 16.531 -0.997 2.357) 16.728 2.266 ( 15.506 -1.049 14.991) 21.593 2.276 ( 11.934 0.470 0.063) 11.943 2.366 ( 5.175 2.947 -0.181) 5.958 2.795 ( -6.597 1.329 0.771) 6.774 2.893 ( 2.372 -1.700 1.657) 3.356 3.003 ( -5.911 -4.603 6.188) 9.717 3.136 ( -3.539 1.695 0.796) 4.003 3.425 ( 0.975 -1.637 -2.712) 3.315 3.482 ( -5.011 2.983 -0.922) 5.904 3.591 ( -5.729 -2.018 0.422) 6.088 3.936 ( -3.306 1.740 -9.446) 10.158 4.072 ( 6.552 6.026 -18.665) 20.679 4.160 ( -0.652 2.661 3.697) 4.602 4.480 ( -0.719 5.749 11.117) 12.536 4.897 ( -9.225 -0.631 1.014) 9.302 5.184 ( -7.125 -1.448 -15.640) 17.247 5.323 ( -11.242 -0.321 -15.142) 18.862 5.572 ( 0.691 -5.967 -0.037) 6.007 5.693 ( 2.103 -3.446 2.676) 4.844 5.868 ( -2.167 0.035 -0.673) 2.270 6.001 ( -4.531 2.363 -0.370) 5.124 6.082 ( -2.829 3.040 1.040) 4.281 6.133 ( -2.741 -0.049 0.517) 2.790 6.300 ( -4.462 3.091 -0.314) 5.437 6.854 ( 1.309 0.071 0.186) 1.324 6.982 ( -0.272 -1.237 3.259) 3.496 7.166 ( 2.566 0.312 -0.716) 2.682 7.321 ( 4.038 0.514 -4.381) 5.980 7.401 ( 2.030 1.458 1.577) 2.955 7.747 ( -6.719 -5.871 -6.751) 11.189 7.994 ( -0.213 0.155 3.677) 3.686 8.151 ( -0.633 1.730 1.705) 2.510 8.510 ( 1.780 -0.247 -0.821) 1.975 8.575 ( 2.409 0.115 -2.487) 3.465 8.717 ( 2.047 -1.354 2.620) 3.590 8.882 ( 1.567 -7.199 6.705) 9.962 9.157 ( -3.858 0.302 7.304) 8.265 9.435 ( -2.461 -9.235 9.191) 13.260 9.691 ( -1.616 -7.975 -8.581) 11.826 9.956 ( -1.351 -6.754 -7.752) 10.370 10.183 ( 11.003 11.651 4.329) 16.600 10.482 ( 0.754 7.064 4.078) 8.191 10.626 ( 4.973 4.065 -14.231) 15.613 10.708 ( 6.713 5.962 4.802) 10.182 11.334 ( 1.826 -6.439 5.215) 8.485 11.497 ( -1.747 -8.422 5.173) 10.037 11.824 ( 15.794 0.971 6.405) 17.071 12.024 ( 8.222 0.956 0.941) 8.331 12.360 ( -2.904 8.512 -9.694) 13.224 12.582 ( -2.542 -2.938 -8.102) 8.986 13.157 ( -15.146 -4.967 -3.759) 16.377 13.377 ( 6.836 -5.811 4.720) 10.138 13.660 ( -10.851 8.557 -0.798) 13.842 13.962 ( -3.681 3.475 8.448) 9.849 14.187 ( -8.060 -1.451 9.536) 12.570 14.524 ( -11.784 -4.999 -3.690) 13.322 17.390 ( 1.967 0.727 -1.817) 2.775 17.520 ( -2.346 -3.099 1.533) 4.178 17.777 ( -4.951 -1.794 5.201) 7.402 17.824 ( -0.485 -3.178 -0.315) 3.230 18.012 ( -1.353 2.098 -3.465) 4.271 18.061 ( -6.046 -0.752 1.184) 6.207 18.147 ( -2.045 2.759 6.320) 7.193 18.321 ( -5.302 5.905 0.061) 7.936 18.410 ( 2.122 -2.881 -4.344) 5.628 18.580 ( -0.011 -1.508 -8.150) 8.289 18.816 ( -1.320 3.628 -6.958) 7.957 18.895 ( 1.585 2.233 2.276) 3.561 19.022 ( 6.803 -4.423 1.981) 8.353 19.126 ( 2.230 1.185 2.524) 3.570 19.281 ( 2.908 2.098 6.527) 7.447 19.365 ( 5.241 4.676 2.061) 7.319 19.376 ( 8.371 -3.982 2.066) 9.497 19.475 ( 5.631 0.882 1.783) 5.972 19.533 ( 6.789 -5.865 -4.696) 10.127 19.785 ( 0.211 -1.008 -0.497) 1.144 19.838 ( -1.280 1.225 -2.628) 3.169 19.973 ( 0.552 -0.041 -3.416) 3.461 20.193 ( 0.030 1.897 -2.013) 2.766 20.394 ( -5.014 -2.882 0.706) 5.826 23.051 ( -0.372 1.240 0.964) 1.614 23.296 ( -1.320 -5.635 0.496) 5.809 23.525 ( -1.792 5.769 0.334) 6.051 23.614 ( -1.993 4.041 1.607) 4.784 23.888 ( 1.467 3.617 -1.225) 4.091 24.088 ( -1.372 4.901 1.363) 5.269 24.119 ( -1.755 1.105 -4.042) 4.543 24.240 ( -0.460 2.977 -2.949) 4.215 24.478 ( -1.763 -0.913 0.137) 1.990 24.615 ( 5.473 -3.646 -6.446) 9.208 24.837 ( 3.943 1.889 5.502) 7.027 24.952 ( -3.101 0.273 2.252) 3.842 25.020 ( -6.101 -2.274 3.633) 7.456 25.174 ( 10.930 -3.806 -2.978) 11.951 25.423 ( 5.390 1.444 -4.403) 7.108 25.693 ( 8.808 -4.739 -5.806) 11.564 26.088 ( -5.008 -0.717 4.824) 6.991 26.240 ( 1.790 -1.206 -3.450) 4.069 26.485 ( -1.598 6.538 5.276) 8.552 26.694 ( -9.688 -1.898 0.280) 9.876 26.811 ( -6.308 -2.138 0.638) 6.691 26.967 ( -5.999 -0.274 2.931) 6.683 27.213 ( 2.791 6.042 -4.917) 8.274 27.659 ( 3.434 -3.790 -5.081) 7.209 33.932 ( 13.493 1.550 6.365) 14.999 34.129 ( 7.208 -2.683 1.028) 7.760 34.200 ( 1.912 1.147 -0.298) 2.250 34.339 ( -0.164 0.297 -1.687) 1.721 34.545 ( 0.283 -1.277 -2.251) 2.603 34.588 ( -2.142 -1.109 -6.395) 6.835 35.426 ( -6.110 5.898 0.661) 8.518 35.624 ( -9.378 -0.087 4.066) 10.222 35.707 ( -8.034 -2.114 3.234) 8.914 35.860 ( -15.249 2.847 -1.309) 15.568 36.197 ( -11.501 -1.725 -3.677) 12.197 36.278 ( -7.123 -3.637 -1.492) 8.136 38.136 ( 3.295 0.264 8.653) 9.263 38.234 ( -0.691 -1.732 -1.601) 2.457 38.276 ( -8.477 0.868 -4.488) 9.631 38.344 ( -11.323 -0.452 -7.336) 13.499 38.995 ( 6.487 0.628 7.534) 9.962 39.103 ( 3.151 -1.536 3.737) 5.123 39.235 ( -1.136 4.120 4.153) 5.959 39.350 ( 1.155 0.421 0.312) 1.269 39.546 ( 8.578 2.576 -0.333) 8.962 39.788 ( 7.508 -4.230 -5.548) 10.249 39.932 ( 10.185 3.204 -3.431) 11.215 40.214 ( 11.668 -2.711 -1.881) 12.125 77.223 ( -8.020 -5.237 -0.169) 9.580 77.299 ( -10.302 -6.819 2.584) 12.622 77.529 ( -5.587 6.285 0.917) 8.459 78.076 ( -4.376 -10.981 11.172) 16.265 78.352 ( 0.006 0.669 1.341) 1.499 78.354 ( 1.334 0.579 -5.575) 5.761 79.603 ( 11.234 -13.124 -10.736) 20.340 79.748 ( 2.238 -8.337 -11.739) 14.571 80.140 ( 20.309 14.932 13.546) 28.616 80.867 ( 13.917 19.499 4.126) 24.308 81.495 ( -1.739 9.592 -13.391) 16.564 81.914 ( 20.471 -5.461 10.638) 23.708 82.249 ( 7.589 -6.533 20.573) 22.880 82.369 ( 7.238 -7.105 -8.596) 13.295 82.755 ( 6.351 -3.451 -18.685) 20.035 83.011 ( 7.055 3.300 -11.644) 14.008 83.458 ( -7.312 8.231 1.014) 11.056 83.545 ( -4.839 10.738 -5.928) 13.186 83.948 ( -8.020 10.091 -12.569) 18.003 84.196 ( -14.238 2.759 4.954) 15.326 86.228 ( 13.127 6.454 28.553) 32.082 88.193 ( 12.982 -46.784 53.418) 72.186 88.892 ( -19.100 6.461 -10.126) 22.563 89.669 ( -10.937 -9.477 -7.123) 16.129 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 17.008 4.932 2.422) 17.874 1.820 ( 10.901 9.008 -3.047) 14.466 2.105 ( 7.075 -1.220 -0.534) 7.199 2.386 ( -2.348 0.879 -4.728) 5.352 2.443 ( 8.693 -5.483 -4.097) 11.064 2.538 ( 4.867 2.604 9.856) 11.296 2.631 ( 17.555 0.364 22.046) 28.184 2.741 ( 6.565 -5.101 6.284) 10.422 2.936 ( -0.816 0.040 10.805) 10.836 3.008 ( 7.040 -1.155 13.121) 14.935 3.088 ( -1.399 7.436 1.867) 7.794 3.352 ( -5.055 3.014 2.113) 6.253 3.446 ( 0.057 0.889 -2.619) 2.767 3.501 ( -3.311 -0.693 0.772) 3.470 3.738 ( -9.819 0.077 -14.953) 17.889 3.798 ( -15.707 -1.115 -18.218) 24.080 4.502 ( 6.212 6.766 4.712) 10.323 4.538 ( 15.304 5.867 4.811) 17.081 4.726 ( -6.659 3.592 0.286) 7.571 4.958 ( -8.446 -0.651 -18.282) 20.149 5.067 ( -7.409 1.491 -9.122) 11.846 5.509 ( -12.497 2.066 0.200) 12.668 5.738 ( 1.225 -4.308 2.192) 4.987 5.834 ( -1.624 2.668 -0.614) 3.183 5.852 ( -0.599 0.062 -1.025) 1.189 6.093 ( 1.476 -1.100 2.107) 2.798 6.149 ( 1.475 -1.291 1.431) 2.427 6.247 ( -2.033 0.384 -1.490) 2.549 6.881 ( 1.482 -0.678 -0.236) 1.647 6.977 ( -1.323 -5.577 3.120) 6.526 7.235 ( 4.184 -0.700 1.285) 4.433 7.374 ( 2.518 -1.683 -3.032) 4.286 7.447 ( 1.580 -0.531 1.375) 2.161 7.578 ( -7.436 -3.814 -5.537) 10.024 8.027 ( 2.052 2.757 4.050) 5.312 8.134 ( -1.666 3.493 1.017) 4.002 8.549 ( 2.379 -1.089 -0.928) 2.776 8.625 ( 3.114 0.422 -0.120) 3.145 8.748 ( 0.464 1.117 0.684) 1.389 8.853 ( -5.021 -2.558 -0.181) 5.638 9.179 ( 2.068 -0.595 4.109) 4.638 9.392 ( -2.985 -5.440 9.657) 11.479 9.627 ( -2.224 -10.118 -6.691) 12.333 9.837 ( -3.743 -7.573 -8.163) 11.747 10.372 ( 2.463 9.197 6.306) 11.420 10.544 ( 4.785 6.356 1.900) 8.179 10.636 ( 0.946 3.136 -1.119) 3.461 11.005 ( 16.592 3.620 -3.050) 17.254 11.362 ( 1.276 -4.146 5.458) 6.972 11.473 ( -2.668 -7.037 5.771) 9.484 11.964 ( 0.242 1.687 -8.716) 8.881 12.221 ( 5.526 -1.751 -1.517) 5.992 12.461 ( 10.250 6.259 3.225) 12.436 12.521 ( 4.553 2.524 -6.250) 8.134 12.879 ( -10.935 -4.720 2.500) 12.170 13.370 ( -15.824 9.913 -1.927) 18.772 13.534 ( 7.327 -11.284 3.899) 14.008 13.938 ( -1.054 5.383 3.796) 6.671 14.022 ( -11.052 -2.497 1.472) 11.426 14.260 ( -11.776 -4.266 -2.208) 12.718 17.430 ( 2.523 -2.038 -1.855) 3.737 17.490 ( -1.291 -4.851 2.575) 5.642 17.713 ( -2.879 -0.785 4.325) 5.254 17.776 ( -3.802 -1.401 0.726) 4.116 17.965 ( -3.247 -0.264 1.801) 3.723 17.970 ( -1.426 2.314 -7.004) 7.513 18.192 ( 3.535 3.765 1.342) 5.336 18.264 ( -2.389 4.155 7.166) 8.621 18.434 ( 3.016 -3.117 -6.360) 7.699 18.597 ( 3.482 1.682 -0.774) 3.943 18.711 ( -5.613 3.449 -6.619) 9.339 18.866 ( -4.862 5.175 -0.051) 7.101 19.124 ( 2.069 -6.245 2.191) 6.934 19.153 ( 2.765 -0.122 -0.409) 2.797 19.385 ( 2.215 0.231 4.134) 4.696 19.487 ( 6.543 3.391 0.218) 7.373 19.517 ( 6.159 -3.167 0.371) 6.936 19.653 ( 7.092 0.460 7.674) 10.459 19.661 ( 7.696 -4.406 -1.815) 9.052 19.774 ( -1.228 0.316 -2.988) 3.246 19.807 ( 0.402 -0.501 -0.625) 0.896 19.975 ( 0.767 1.389 -4.178) 4.470 20.148 ( -4.242 0.433 -1.929) 4.680 20.259 ( -7.349 0.380 0.205) 7.362 23.043 ( -0.558 0.948 0.543) 1.227 23.274 ( -1.005 -5.354 0.352) 5.459 23.496 ( -1.164 4.469 0.239) 4.624 23.604 ( 0.249 2.233 0.347) 2.273 23.930 ( 2.493 0.997 1.300) 2.983 24.057 ( -1.502 -0.997 -4.857) 5.181 24.102 ( -0.157 6.373 3.274) 7.167 24.218 ( -0.383 4.602 -3.368) 5.716 24.467 ( 0.409 -0.909 -0.586) 1.157 24.687 ( 3.981 -3.870 -6.783) 8.765 24.806 ( -4.532 -1.231 4.914) 6.798 24.915 ( -4.815 -2.892 2.568) 6.176 25.050 ( 7.010 2.816 4.153) 8.621 25.371 ( 7.109 -3.905 -2.006) 8.355 25.505 ( 5.857 2.355 -3.174) 7.066 25.835 ( 6.092 -6.980 -4.284) 10.207 25.986 ( -5.776 1.340 3.600) 6.937 26.277 ( 3.490 -0.527 -4.022) 5.351 26.406 ( -8.070 -0.910 1.090) 8.194 26.518 ( -6.997 -0.405 2.565) 7.464 26.736 ( -2.252 3.045 8.829) 9.607 26.869 ( -3.866 2.915 -4.836) 6.843 27.251 ( 1.996 4.022 -1.727) 4.811 27.686 ( 1.126 -4.301 -3.487) 5.650 34.172 ( 1.774 0.941 -0.663) 2.115 34.266 ( 15.894 0.762 6.867) 17.331 34.314 ( -1.691 -0.269 -2.739) 3.230 34.380 ( 10.737 -1.852 3.427) 11.421 34.541 ( 1.216 -1.093 -1.265) 2.067 34.554 ( 1.556 -1.219 -3.399) 3.932 35.164 ( -17.646 3.708 -4.760) 18.649 35.305 ( -22.545 0.466 -6.806) 23.554 35.539 ( -2.990 1.701 5.808) 6.750 35.773 ( -0.629 -3.081 5.668) 6.481 36.007 ( -6.308 1.929 -1.872) 6.857 36.201 ( -2.072 -2.838 0.273) 3.524 38.047 ( -7.438 0.663 -4.615) 8.779 38.136 ( -4.627 -1.733 -3.167) 5.869 38.224 ( 0.757 1.110 2.753) 3.064 38.285 ( 1.026 -0.658 0.146) 1.227 39.108 ( 2.302 0.879 5.611) 6.128 39.155 ( 1.350 1.249 2.407) 3.029 39.230 ( -0.192 1.706 0.476) 1.781 39.380 ( 1.257 -1.825 0.659) 2.312 39.715 ( 6.756 1.532 5.691) 8.965 39.853 ( 3.058 -2.025 -11.331) 11.910 40.119 ( 7.345 2.702 1.080) 7.901 40.394 ( 6.725 -2.740 -1.228) 7.365 77.021 ( -7.863 -3.364 -1.253) 8.644 77.055 ( -9.281 -3.954 -4.917) 11.222 77.657 ( 7.247 3.261 16.356) 18.185 78.019 ( -3.615 -5.738 -4.071) 7.910 78.354 ( -0.124 0.584 1.025) 1.186 78.366 ( 0.841 0.152 -1.250) 1.514 79.684 ( 2.138 -20.913 -9.110) 22.911 79.740 ( 0.586 -14.729 -7.716) 16.638 80.561 ( 16.496 17.039 15.675) 28.428 81.267 ( 5.170 34.498 -1.293) 34.907 81.388 ( 14.048 1.047 -4.592) 14.816 82.205 ( 3.965 -2.904 -0.486) 4.938 82.419 ( 2.347 -5.870 15.111) 16.380 82.532 ( 12.538 -9.492 -13.738) 20.882 82.780 ( 2.616 -0.922 -21.486) 21.664 83.131 ( 4.117 3.367 4.217) 6.788 83.274 ( -8.256 3.774 19.236) 21.271 83.425 ( -7.861 -2.161 2.135) 8.427 83.754 ( -7.708 11.762 -15.655) 21.044 83.967 ( -6.866 9.412 -6.409) 13.296 86.748 ( 27.048 9.625 36.017) 46.059 88.184 ( -25.212 -0.273 -17.359) 30.612 88.733 ( 6.850 -21.257 28.341) 36.083 89.393 ( -12.975 -14.215 -12.619) 23.014 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 1.268 -0.000) 1.268 1.856 ( -0.000 -0.695 -0.000) 0.695 2.212 ( 0.000 1.769 -0.000) 1.769 2.264 ( -0.000 10.452 0.000) 10.452 2.521 ( 0.000 -9.101 0.000) 9.101 2.570 ( 0.000 -5.239 -0.000) 5.239 2.789 ( 0.000 -1.756 0.000) 1.756 2.845 ( 0.000 -2.164 0.000) 2.164 3.021 ( 0.000 7.371 0.000) 7.371 3.167 ( 0.000 -1.126 0.000) 1.126 3.262 ( 0.000 4.752 0.000) 4.752 3.317 ( -0.000 4.405 0.000) 4.405 3.428 ( -0.000 -0.335 -0.000) 0.335 3.451 ( 0.000 -0.659 0.000) 0.659 3.484 ( 0.000 0.148 0.000) 0.148 3.531 ( -0.000 0.538 -0.000) 0.538 4.549 ( 0.000 6.836 -0.000) 6.836 4.636 ( 0.000 1.874 0.000) 1.874 4.770 ( 0.000 -3.308 0.000) 3.308 4.894 ( 0.000 7.428 -0.000) 7.428 4.978 ( 0.000 1.108 0.000) 1.108 5.270 ( -0.000 11.476 0.000) 11.476 5.754 ( 0.000 -5.136 -0.000) 5.136 5.808 ( 0.000 1.685 -0.000) 1.685 5.884 ( 0.000 -1.470 0.000) 1.470 6.117 ( 0.000 -2.042 0.000) 2.042 6.177 ( 0.000 1.314 0.000) 1.314 6.210 ( 0.000 -3.506 -0.000) 3.506 6.900 ( 0.000 0.689 -0.000) 0.689 6.964 ( 0.000 -9.778 -0.000) 9.778 7.304 ( 0.000 -0.881 -0.000) 0.881 7.394 ( 0.000 -2.545 -0.000) 2.545 7.464 ( 0.000 -3.807 0.000) 3.807 7.467 ( -0.000 0.020 -0.000) 0.020 8.089 ( -0.000 3.956 -0.000) 3.956 8.089 ( 0.000 4.484 0.000) 4.484 8.576 ( 0.000 -1.672 0.000) 1.672 8.682 ( 0.000 -1.516 -0.000) 1.516 8.756 ( 0.000 0.641 -0.000) 0.641 8.761 ( -0.000 3.988 0.000) 3.988 9.202 ( 0.000 -0.431 -0.000) 0.431 9.405 ( 0.000 -8.239 -0.000) 8.239 9.572 ( 0.000 -8.312 0.000) 8.312 9.788 ( 0.000 -8.283 0.000) 8.283 10.394 ( 0.000 6.883 -0.000) 6.883 10.602 ( 0.000 0.927 -0.000) 0.927 10.652 ( 0.000 9.470 -0.000) 9.470 11.164 ( 0.000 1.590 0.000) 1.590 11.435 ( -0.000 -4.025 0.000) 4.025 11.437 ( 0.000 -4.737 -0.000) 4.737 11.994 ( -0.000 2.394 0.000) 2.394 12.129 ( 0.000 -4.651 0.000) 4.651 12.607 ( 0.000 15.172 0.000) 15.172 12.660 ( 0.000 -0.596 0.000) 0.596 12.778 ( 0.000 -5.998 -0.000) 5.998 13.148 ( 0.000 7.124 0.000) 7.124 13.714 ( 0.000 -11.013 0.000) 11.013 13.777 ( -0.000 -4.877 -0.000) 4.877 13.960 ( 0.000 3.136 -0.000) 3.136 14.128 ( 0.000 0.169 -0.000) 0.169 17.457 ( 0.000 -4.392 -0.000) 4.392 17.484 ( -0.000 -5.402 0.000) 5.402 17.702 ( 0.000 1.776 -0.000) 1.776 17.721 ( 0.000 -0.856 0.000) 0.856 17.938 ( -0.000 2.581 0.000) 2.581 17.940 ( 0.000 -0.336 -0.000) 0.336 18.233 ( 0.000 1.581 0.000) 1.581 18.257 ( 0.000 3.529 -0.000) 3.529 18.492 ( 0.000 -2.434 0.000) 2.434 18.579 ( 0.000 5.428 0.000) 5.428 18.692 ( 0.000 -0.703 0.000) 0.703 18.771 ( 0.000 7.691 -0.000) 7.691 19.160 ( 0.000 -7.873 -0.000) 7.873 19.175 ( 0.000 1.336 0.000) 1.336 19.410 ( 0.000 -0.389 0.000) 0.389 19.546 ( 0.000 0.722 0.000) 0.722 19.629 ( 0.000 -3.182 0.000) 3.182 19.663 ( 0.000 -4.079 0.000) 4.079 19.771 ( 0.000 6.183 -0.000) 6.183 19.785 ( 0.000 -0.857 0.000) 0.857 19.840 ( 0.000 -0.308 0.000) 0.308 20.007 ( 0.000 2.126 -0.000) 2.126 20.021 ( -0.000 -2.601 0.000) 2.601 20.180 ( 0.000 1.440 -0.000) 1.440 23.038 ( 0.000 0.837 0.000) 0.837 23.264 ( 0.000 -5.416 0.000) 5.416 23.485 ( 0.000 4.130 0.000) 4.130 23.610 ( 0.000 1.719 -0.000) 1.719 23.974 ( -0.000 0.274 -0.000) 0.274 24.017 ( 0.000 -1.883 0.000) 1.883 24.109 ( 0.000 6.093 -0.000) 6.093 24.208 ( 0.000 6.075 0.000) 6.075 24.473 ( 0.000 -0.829 -0.000) 0.829 24.717 ( 0.000 -3.970 0.000) 3.970 24.763 ( 0.000 -1.363 -0.000) 1.363 24.869 ( 0.000 -3.113 0.000) 3.113 25.148 ( 0.000 2.646 0.000) 2.646 25.402 ( 0.000 -0.074 0.000) 0.074 25.621 ( 0.000 -1.799 0.000) 1.799 25.827 ( 0.000 -2.615 -0.000) 2.615 25.971 ( 0.000 -0.736 -0.000) 0.736 26.279 ( 0.000 -10.166 0.000) 10.166 26.347 ( 0.000 3.979 -0.000) 3.979 26.432 ( 0.000 0.199 0.000) 0.199 26.757 ( 0.000 7.922 -0.000) 7.922 26.800 ( 0.000 1.757 -0.000) 1.757 27.269 ( 0.000 3.229 -0.000) 3.229 27.689 ( 0.000 -4.484 -0.000) 4.484 34.201 ( 0.000 0.728 0.000) 0.728 34.265 ( -0.000 0.301 -0.000) 0.301 34.462 ( 0.000 -3.964 -0.000) 3.964 34.499 ( 0.000 -3.245 -0.000) 3.245 34.651 ( 0.000 3.326 0.000) 3.326 34.655 ( 0.000 3.604 0.000) 3.604 34.861 ( 0.000 0.028 -0.000) 0.028 34.967 ( 0.000 -2.338 -0.000) 2.338 35.521 ( 0.000 3.701 -0.000) 3.701 35.787 ( 0.000 -2.166 -0.000) 2.166 35.937 ( 0.000 2.168 0.000) 2.168 36.182 ( 0.000 -3.015 -0.000) 3.015 37.962 ( 0.000 0.938 -0.000) 0.938 38.080 ( 0.000 -1.815 0.000) 1.815 38.241 ( 0.000 0.933 -0.000) 0.933 38.295 ( 0.000 -0.558 0.000) 0.558 39.135 ( 0.000 1.266 0.000) 1.266 39.178 ( 0.000 2.939 0.000) 2.939 39.228 ( 0.000 -0.073 -0.000) 0.073 39.395 ( 0.000 -2.323 -0.000) 2.323 39.826 ( 0.000 0.245 0.000) 0.245 39.832 ( -0.000 -0.481 -0.000) 0.481 40.196 ( 0.000 2.360 -0.000) 2.360 40.459 ( 0.000 -2.711 0.000) 2.711 76.937 ( 0.000 -3.245 0.000) 3.245 76.956 ( 0.000 -3.058 -0.000) 3.058 77.804 ( 0.000 1.354 -0.000) 1.354 77.935 ( 0.000 -2.009 0.000) 2.009 78.355 ( 0.000 0.457 -0.000) 0.457 78.372 ( 0.000 0.061 0.000) 0.061 79.683 ( 0.000 -22.766 -0.000) 22.766 79.727 ( 0.000 -16.121 0.000) 16.121 80.816 ( 0.000 18.004 0.000) 18.004 81.128 ( 0.000 26.500 -0.000) 26.500 81.870 ( -0.000 10.552 -0.000) 10.552 82.005 ( 0.000 2.597 0.000) 2.597 82.512 ( 0.000 -9.529 0.000) 9.529 82.620 ( 0.000 -10.973 0.000) 10.973 82.783 ( 0.000 -1.189 -0.000) 1.189 83.156 ( 0.000 -7.792 -0.000) 7.792 83.202 ( 0.000 5.424 -0.000) 5.424 83.451 ( 0.000 -1.814 0.000) 1.814 83.564 ( 0.000 13.185 -0.000) 13.185 83.894 ( 0.000 13.393 0.000) 13.393 87.481 ( 0.000 11.473 0.000) 11.473 87.484 ( -0.000 6.172 -0.000) 6.172 88.974 ( 0.000 -15.861 0.000) 15.861 89.140 ( 0.000 -22.453 -0.000) 22.453 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 19.905 0.000) 19.905 1.099 ( 0.000 21.393 0.000) 21.393 1.346 ( 0.000 -16.561 0.000) 16.561 1.492 ( 0.000 -13.048 0.000) 13.048 2.014 ( 0.000 31.376 0.000) 31.376 2.295 ( 0.000 6.404 0.000) 6.404 2.413 ( 0.000 5.223 0.000) 5.223 2.676 ( 0.000 -17.800 0.000) 17.800 2.952 ( 0.000 1.221 0.000) 1.221 2.974 ( 0.000 -0.562 0.000) 0.562 3.172 ( 0.000 0.931 0.000) 0.931 3.236 ( 0.000 -4.514 0.000) 4.514 3.657 ( 0.000 0.867 0.000) 0.867 3.703 ( 0.000 -2.829 0.000) 2.829 4.008 ( 0.000 16.723 0.000) 16.723 4.235 ( 0.000 4.563 0.000) 4.563 4.281 ( 0.000 -6.535 0.000) 6.535 4.402 ( 0.000 -9.054 0.000) 9.054 4.978 ( 0.000 6.726 0.000) 6.726 5.249 ( 0.000 -14.086 0.000) 14.086 5.551 ( 0.000 4.936 0.000) 4.936 5.558 ( 0.000 2.544 0.000) 2.544 5.852 ( 0.000 -0.287 0.000) 0.287 5.921 ( 0.000 -1.212 0.000) 1.212 5.948 ( 0.000 -0.316 0.000) 0.316 6.038 ( 0.000 -4.362 0.000) 4.362 6.398 ( 0.000 8.984 0.000) 8.984 6.580 ( 0.000 -7.017 0.000) 7.017 6.906 ( 0.000 5.276 0.000) 5.276 6.966 ( 0.000 -0.432 0.000) 0.432 7.185 ( 0.000 1.025 0.000) 1.025 7.216 ( 0.000 -1.605 0.000) 1.605 7.580 ( 0.000 6.238 0.000) 6.238 7.690 ( 0.000 -2.898 0.000) 2.898 8.017 ( 0.000 0.035 0.000) 0.035 8.057 ( 0.000 -4.300 0.000) 4.300 8.504 ( 0.000 -0.906 0.000) 0.906 8.518 ( 0.000 -1.161 0.000) 1.161 8.565 ( 0.000 5.439 0.000) 5.439 8.806 ( 0.000 -14.237 0.000) 14.237 9.108 ( 0.000 -3.043 0.000) 3.043 9.122 ( 0.000 -2.614 0.000) 2.614 9.595 ( 0.000 7.106 0.000) 7.106 9.754 ( 0.000 -7.011 0.000) 7.011 10.147 ( 0.000 9.498 0.000) 9.498 10.348 ( 0.000 -8.327 0.000) 8.327 10.701 ( 0.000 4.913 0.000) 4.913 10.758 ( 0.000 0.266 0.000) 0.266 11.280 ( 0.000 8.475 0.000) 8.475 11.498 ( 0.000 -9.210 0.000) 9.210 11.666 ( 0.000 2.015 0.000) 2.015 11.684 ( 0.000 -1.420 0.000) 1.420 12.568 ( 0.000 1.158 0.000) 1.158 12.627 ( 0.000 -3.408 0.000) 3.408 13.253 ( 0.000 4.702 0.000) 4.702 13.372 ( 0.000 -6.547 0.000) 6.547 13.870 ( 0.000 4.876 0.000) 4.876 13.957 ( 0.000 -2.859 0.000) 2.859 14.489 ( 0.000 9.844 0.000) 9.844 14.670 ( 0.000 -6.614 0.000) 6.614 17.482 ( 0.000 6.462 0.000) 6.462 17.611 ( 0.000 -1.966 0.000) 1.966 17.719 ( 0.000 -0.433 0.000) 0.433 17.814 ( 0.000 -4.706 0.000) 4.706 18.073 ( 0.000 1.698 0.000) 1.698 18.160 ( 0.000 -4.132 0.000) 4.132 18.339 ( 0.000 -0.213 0.000) 0.213 18.339 ( 0.000 0.541 0.000) 0.541 18.576 ( 0.000 2.713 0.000) 2.713 18.620 ( 0.000 1.555 0.000) 1.555 18.668 ( 0.000 -3.085 0.000) 3.085 18.682 ( 0.000 -0.568 0.000) 0.568 18.940 ( 0.000 1.152 0.000) 1.152 18.966 ( 0.000 0.402 0.000) 0.402 19.117 ( 0.000 0.643 0.000) 0.643 19.154 ( 0.000 -2.567 0.000) 2.567 19.369 ( 0.000 0.791 0.000) 0.791 19.391 ( 0.000 -0.882 0.000) 0.882 19.616 ( 0.000 4.665 0.000) 4.665 19.674 ( 0.000 0.314 0.000) 0.314 19.991 ( 0.000 2.490 0.000) 2.490 20.073 ( 0.000 -4.043 0.000) 4.043 20.140 ( 0.000 0.463 0.000) 0.463 20.160 ( 0.000 -1.382 0.000) 1.382 23.097 ( 0.000 3.244 0.000) 3.244 23.188 ( 0.000 -5.117 0.000) 5.117 23.686 ( 0.000 4.394 0.000) 4.394 23.785 ( 0.000 -4.490 0.000) 4.490 23.937 ( 0.000 9.266 0.000) 9.266 24.108 ( 0.000 -6.148 0.000) 6.148 24.327 ( 0.000 3.877 0.000) 3.877 24.414 ( 0.000 -3.928 0.000) 3.928 24.554 ( 0.000 1.574 0.000) 1.574 24.585 ( 0.000 -1.022 0.000) 1.022 24.663 ( 0.000 4.787 0.000) 4.787 24.781 ( 0.000 -5.900 0.000) 5.900 25.210 ( 0.000 -0.363 0.000) 0.363 25.215 ( 0.000 -0.137 0.000) 0.137 25.285 ( 0.000 4.184 0.000) 4.184 25.395 ( 0.000 -5.133 0.000) 5.133 26.098 ( 0.000 -0.999 0.000) 0.999 26.099 ( 0.000 -0.865 0.000) 0.865 26.656 ( 0.000 7.812 0.000) 7.812 26.797 ( 0.000 -5.134 0.000) 5.134 27.009 ( 0.000 4.733 0.000) 4.733 27.106 ( 0.000 -3.467 0.000) 3.467 27.315 ( 0.000 4.816 0.000) 4.816 27.430 ( 0.000 -5.118 0.000) 5.118 33.695 ( 0.000 4.262 0.000) 4.262 33.805 ( 0.000 -5.719 0.000) 5.719 34.317 ( 0.000 5.115 0.000) 5.115 34.431 ( 0.000 -5.205 0.000) 5.205 34.480 ( 0.000 5.289 0.000) 5.289 34.589 ( 0.000 -4.623 0.000) 4.623 35.537 ( 0.000 3.118 0.000) 3.118 35.621 ( 0.000 -4.446 0.000) 4.446 36.090 ( 0.000 9.640 0.000) 9.640 36.221 ( 0.000 0.169 0.000) 0.169 36.531 ( 0.000 -2.214 0.000) 2.214 36.598 ( 0.000 -5.969 0.000) 5.969 37.951 ( 0.000 2.495 0.000) 2.495 38.022 ( 0.000 -3.840 0.000) 3.840 38.750 ( 0.000 1.952 0.000) 1.952 38.775 ( 0.000 -0.395 0.000) 0.395 38.841 ( 0.000 1.934 0.000) 1.934 38.900 ( 0.000 -3.310 0.000) 3.310 39.222 ( 0.000 6.408 0.000) 6.408 39.351 ( 0.000 -4.977 0.000) 4.977 39.449 ( 0.000 3.749 0.000) 3.749 39.543 ( 0.000 -4.380 0.000) 4.380 39.676 ( 0.000 5.220 0.000) 5.220 39.783 ( 0.000 -4.385 0.000) 4.385 77.092 ( 0.000 0.408 0.000) 0.408 77.114 ( 0.000 -1.630 0.000) 1.630 78.238 ( 0.000 0.210 0.000) 0.210 78.263 ( 0.000 -1.838 0.000) 1.838 78.610 ( 0.000 2.512 0.000) 2.512 78.658 ( 0.000 -2.059 0.000) 2.059 79.276 ( 0.000 16.636 0.000) 16.636 79.630 ( 0.000 -14.061 0.000) 14.061 80.085 ( 0.000 4.961 0.000) 4.961 80.256 ( 0.000 -9.037 0.000) 9.037 81.026 ( 0.000 9.049 0.000) 9.049 81.174 ( 0.000 -4.556 0.000) 4.556 81.946 ( 0.000 6.951 0.000) 6.951 82.143 ( 0.000 -11.504 0.000) 11.504 82.649 ( 0.000 7.734 0.000) 7.734 82.847 ( 0.000 -9.739 0.000) 9.739 83.803 ( 0.000 16.998 0.000) 16.998 84.079 ( 0.000 -9.084 0.000) 9.084 84.303 ( 0.000 11.157 0.000) 11.157 84.600 ( 0.000 -14.864 0.000) 14.864 86.047 ( 0.000 2.180 0.000) 2.180 86.081 ( 0.000 -1.148 0.000) 1.148 89.519 ( 0.000 10.288 0.000) 10.288 89.749 ( 0.000 -10.124 0.000) 10.124 ======================= Grid point 19 (12/78) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 13.218 16.659 1.870) 21.348 1.336 ( 23.012 14.529 24.220) 36.431 1.512 ( 8.697 -12.438 1.883) 15.293 1.636 ( 16.439 -11.788 19.680) 28.222 2.044 ( 3.090 28.060 -0.163) 28.230 2.301 ( 1.179 4.995 -3.141) 6.017 2.429 ( 1.502 4.861 -0.699) 5.136 2.674 ( -0.496 -17.239 0.866) 17.267 2.925 ( -1.852 2.706 -0.790) 3.373 2.977 ( -0.897 -1.678 2.331) 3.009 3.193 ( 1.849 2.568 -0.888) 3.287 3.284 ( 3.944 -5.040 -0.004) 6.400 3.609 ( -3.991 0.738 -0.724) 4.123 3.647 ( -4.697 -2.557 -0.648) 5.387 4.086 ( 5.036 13.193 -3.092) 14.456 4.200 ( 0.513 7.408 -7.209) 10.350 4.243 ( -4.785 -3.821 -0.178) 6.126 4.461 ( 5.377 -8.197 3.641) 10.457 4.960 ( -1.859 5.393 0.185) 5.708 5.200 ( -3.472 -11.820 -1.908) 12.467 5.483 ( -6.426 2.946 -6.532) 9.625 5.556 ( -2.107 -1.367 -0.305) 2.530 5.757 ( -5.674 4.224 -3.734) 7.999 5.891 ( -2.652 -4.863 -0.653) 5.578 5.964 ( 1.657 0.948 -1.265) 2.290 6.033 ( 0.354 -3.687 -1.530) 4.008 6.376 ( -2.361 8.034 -0.340) 8.380 6.505 ( -7.210 -2.861 -0.021) 7.757 6.902 ( -0.351 3.903 0.320) 3.932 6.960 ( -1.096 -1.390 1.677) 2.438 7.173 ( -0.524 2.036 -0.776) 2.241 7.236 ( 1.872 -2.886 -1.636) 3.809 7.525 ( -2.928 6.660 -3.305) 7.990 7.674 ( -2.353 -7.399 -3.648) 8.579 8.029 ( 1.073 2.629 2.140) 3.555 8.104 ( 2.636 -3.319 2.624) 4.985 8.501 ( 1.052 1.173 -1.730) 2.340 8.531 ( 1.637 -1.256 -2.920) 3.576 8.599 ( 2.136 2.658 4.726) 5.827 8.760 ( -2.936 -8.533 3.635) 9.729 9.118 ( 0.004 -2.808 6.410) 6.998 9.160 ( 1.811 -5.461 8.072) 9.912 9.669 ( 4.928 5.285 -5.245) 8.929 9.811 ( 3.533 -6.869 -3.547) 8.500 10.232 ( 8.781 10.080 -2.291) 13.564 10.449 ( 10.441 -8.250 3.123) 13.668 10.668 ( -3.048 5.164 -0.631) 6.030 10.740 ( -1.517 -1.225 -6.454) 6.742 11.213 ( -3.745 7.367 4.905) 9.610 11.404 ( -6.689 -8.824 2.593) 11.373 11.726 ( 5.792 5.075 5.567) 9.502 11.813 ( 8.254 -3.004 4.014) 9.657 12.541 ( -1.374 2.314 -6.060) 6.631 12.610 ( -0.940 -2.807 -5.385) 6.145 13.234 ( -2.051 1.448 -0.509) 2.562 13.308 ( -6.298 -5.158 -3.412) 8.827 13.883 ( 0.093 4.997 4.576) 6.777 13.966 ( -0.735 -2.823 8.419) 8.910 14.421 ( -7.107 8.915 1.851) 11.550 14.596 ( -7.273 -6.886 -0.951) 10.061 17.457 ( -1.894 4.962 -1.401) 5.492 17.550 ( -5.045 -2.180 0.272) 5.502 17.731 ( 1.152 -1.403 -1.248) 2.203 17.784 ( -2.802 -4.444 1.425) 5.444 18.091 ( 2.031 4.633 -2.491) 5.638 18.182 ( -3.200 -2.091 2.740) 4.703 18.247 ( -6.182 2.603 6.175) 9.118 18.318 ( -0.489 -4.071 2.091) 4.603 18.509 ( -0.297 -0.145 -9.385) 9.390 18.529 ( -2.383 -0.822 -11.365) 11.641 18.804 ( 8.251 3.428 0.458) 8.946 18.845 ( 3.387 -0.747 8.378) 9.068 18.985 ( 3.776 -0.410 5.483) 6.670 19.033 ( 7.294 -4.551 -0.195) 8.600 19.064 ( 1.990 7.726 1.553) 8.128 19.216 ( 3.645 -5.962 2.428) 7.398 19.359 ( -1.693 1.972 -2.292) 3.466 19.404 ( 0.035 -2.169 -4.945) 5.400 19.585 ( 0.479 8.387 -0.336) 8.407 19.720 ( 2.143 -3.671 0.586) 4.291 19.924 ( -3.836 1.483 -1.996) 4.571 19.966 ( -3.555 -1.880 -1.524) 4.300 20.212 ( 4.203 2.627 -0.436) 4.976 20.285 ( 5.469 -4.115 0.967) 6.912 23.100 ( -0.021 3.187 0.898) 3.312 23.188 ( -0.179 -4.989 0.797) 5.056 23.664 ( -2.317 3.758 1.456) 4.648 23.730 ( -4.500 -1.520 1.834) 5.092 23.977 ( 2.791 6.437 -2.048) 7.309 24.103 ( -0.300 -4.439 -2.173) 4.951 24.316 ( -0.803 3.388 -1.940) 3.986 24.356 ( -5.494 1.831 -1.010) 5.879 24.487 ( -1.281 -0.720 -1.338) 1.987 24.515 ( -4.641 -1.656 1.073) 5.043 24.770 ( 7.561 4.388 0.257) 8.745 24.877 ( 7.924 -5.065 -1.143) 9.473 25.087 ( -8.345 0.875 1.581) 8.539 25.116 ( -7.821 -1.766 2.128) 8.295 25.369 ( 6.491 3.563 -5.411) 9.171 25.463 ( 6.101 -4.703 -5.045) 9.208 26.111 ( 0.589 0.172 2.262) 2.344 26.140 ( 2.738 -2.396 -0.403) 3.661 26.658 ( -0.376 7.547 1.726) 7.750 26.789 ( -1.313 -4.726 -2.236) 5.391 26.920 ( -7.856 3.784 3.975) 9.583 27.015 ( -8.728 -4.584 6.377) 11.742 27.341 ( 3.203 7.055 -5.343) 9.412 27.485 ( 4.719 -5.942 -5.140) 9.165 33.770 ( 6.885 3.934 3.262) 8.574 33.870 ( 6.101 -5.204 2.571) 8.421 34.290 ( -2.001 4.136 -1.725) 4.908 34.371 ( -3.290 -2.354 -1.927) 4.481 34.523 ( 2.348 1.910 -2.080) 3.673 34.589 ( 0.242 -3.259 -3.695) 4.933 35.534 ( -0.597 3.276 3.282) 4.675 35.618 ( -0.954 -4.422 4.099) 6.105 36.016 ( -8.691 10.640 2.165) 13.908 36.212 ( -1.639 -1.479 2.203) 3.118 36.324 ( -18.200 -1.810 -6.244) 19.326 36.427 ( -12.362 -5.827 -7.582) 15.629 38.034 ( 5.412 2.146 7.440) 9.447 38.098 ( 5.096 -3.416 4.137) 7.400 38.570 ( -13.356 1.753 -5.205) 14.441 38.609 ( -13.566 -1.699 -6.029) 14.943 38.880 ( 5.524 3.102 3.053) 7.033 38.950 ( 4.533 -3.235 2.536) 6.119 39.323 ( 2.485 5.404 6.179) 8.576 39.403 ( -3.279 -0.723 2.984) 4.492 39.472 ( 4.826 1.438 -2.312) 5.541 39.524 ( 7.592 -2.903 -0.606) 8.150 39.812 ( 10.629 3.189 -5.430) 12.355 39.903 ( 11.031 -4.437 -2.708) 12.194 77.146 ( 3.189 0.278 6.315) 7.080 77.190 ( 3.366 -4.329 8.218) 9.880 78.008 ( -22.928 4.152 -6.055) 24.075 78.112 ( -18.685 -5.366 -0.294) 19.443 78.393 ( -3.906 1.586 -6.566) 7.802 78.413 ( -7.024 -0.055 -3.830) 8.001 79.460 ( 5.702 4.285 -7.339) 10.234 79.567 ( 4.024 -5.184 -9.159) 11.267 80.181 ( 13.158 21.334 4.821) 25.525 80.670 ( 14.824 -21.888 -2.682) 26.572 81.253 ( 21.745 8.186 18.192) 29.510 81.406 ( 19.094 -3.963 8.867) 21.422 82.022 ( 5.665 4.177 6.279) 9.432 82.151 ( 1.270 -7.902 2.710) 8.450 82.702 ( 6.946 6.159 -13.541) 16.418 82.872 ( 5.326 -8.176 -14.600) 17.560 83.781 ( -2.437 11.701 -6.599) 13.653 83.929 ( -9.740 -1.794 -15.812) 18.658 84.291 ( -1.864 10.330 -0.513) 10.509 84.493 ( -8.543 -4.645 -3.565) 10.357 86.131 ( 6.652 9.238 24.567) 27.076 86.485 ( 24.484 -26.132 46.523) 58.709 89.415 ( -9.645 10.790 -5.361) 15.434 89.660 ( -8.198 -11.026 -3.923) 14.289 ======================= Grid point 20 (13/78) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 14.583 11.945 -2.146) 18.972 1.694 ( 10.963 -8.416 -4.414) 14.509 1.956 ( 23.379 9.930 26.961) 37.042 2.144 ( 15.304 2.361 16.928) 22.942 2.148 ( 15.645 5.337 18.084) 24.500 2.316 ( 1.594 0.701 -4.173) 4.522 2.455 ( 1.545 4.232 -2.463) 5.134 2.653 ( -2.490 -13.048 2.629) 13.541 2.894 ( -0.913 3.057 1.799) 3.662 2.952 ( -2.380 -1.941 3.792) 4.880 3.226 ( 1.510 5.838 1.102) 6.130 3.353 ( 2.633 -5.085 -1.152) 5.841 3.526 ( -3.803 1.171 -0.006) 3.979 3.550 ( -4.419 -1.432 0.364) 4.660 3.992 ( -8.219 3.033 -10.142) 13.402 4.060 ( -9.916 -3.010 -11.965) 15.828 4.402 ( 14.781 13.366 -0.641) 19.938 4.581 ( 3.474 -0.586 6.824) 7.680 4.912 ( -2.816 5.694 0.074) 6.352 5.133 ( -2.017 -8.095 -9.402) 12.570 5.278 ( -9.930 1.196 -11.641) 15.348 5.413 ( -6.245 -8.499 -5.772) 12.023 5.714 ( 0.191 5.557 1.488) 5.756 5.838 ( -2.302 -3.806 -0.645) 4.495 5.996 ( 1.345 0.425 -0.114) 1.415 6.047 ( 1.179 -3.291 -0.514) 3.534 6.265 ( -9.914 7.189 0.295) 12.250 6.348 ( -6.896 0.053 0.230) 6.900 6.895 ( -0.829 2.126 0.970) 2.479 6.933 ( -1.963 -2.311 2.375) 3.852 7.171 ( 0.979 1.791 -2.020) 2.872 7.263 ( 1.572 -5.231 -3.382) 6.424 7.477 ( -0.906 4.616 -1.434) 4.918 7.591 ( -4.005 -6.488 -3.026) 8.203 8.063 ( 1.685 4.763 2.937) 5.844 8.151 ( 1.122 -2.284 2.539) 3.595 8.526 ( 1.802 1.682 -1.741) 3.018 8.565 ( 2.591 -1.210 -1.673) 3.313 8.675 ( 3.122 0.698 6.911) 7.615 8.767 ( 1.473 -5.564 4.653) 7.401 9.140 ( -0.191 0.423 7.308) 7.323 9.225 ( 1.119 -7.562 8.113) 11.148 9.657 ( -2.759 3.429 -11.954) 12.739 9.786 ( -3.183 -7.709 -11.464) 14.176 10.483 ( 12.900 14.455 8.169) 21.026 10.596 ( -1.491 4.128 -0.414) 4.409 10.667 ( -1.848 -1.013 -3.994) 4.516 10.747 ( 15.485 -5.601 5.957) 17.511 11.213 ( 0.663 -0.555 3.250) 3.363 11.313 ( -3.136 -7.426 1.368) 8.177 11.910 ( 9.815 5.488 4.817) 12.234 12.017 ( 10.205 -3.186 4.969) 11.789 12.489 ( -0.175 4.886 -8.575) 9.871 12.565 ( 0.024 -0.716 -8.664) 8.694 13.088 ( -11.946 0.497 -1.046) 12.002 13.202 ( -2.997 -8.610 3.313) 9.700 13.858 ( -5.623 8.275 2.299) 10.265 13.976 ( -1.475 -2.362 6.352) 6.935 14.243 ( -10.690 5.509 2.514) 12.286 14.385 ( -12.834 -7.122 -2.006) 14.814 17.414 ( -1.716 1.507 -1.023) 2.502 17.456 ( -4.051 -2.469 0.377) 4.759 17.728 ( -1.626 -1.156 0.002) 1.995 17.751 ( -0.699 -2.952 2.365) 3.846 18.063 ( -5.265 1.402 -0.063) 5.449 18.070 ( -4.314 0.737 -1.306) 4.567 18.236 ( 1.703 5.558 6.731) 8.894 18.349 ( 1.748 -3.603 -1.235) 4.191 18.425 ( -3.155 3.667 -5.667) 7.451 18.504 ( 1.415 -4.267 -6.738) 8.100 18.890 ( 1.351 1.995 0.496) 2.460 18.910 ( 2.202 -0.566 7.035) 7.393 19.054 ( 2.901 5.942 -4.782) 8.160 19.167 ( -0.707 0.314 -2.360) 2.483 19.229 ( 8.348 -3.016 2.334) 9.178 19.324 ( 6.147 -5.758 1.118) 8.497 19.347 ( 5.784 2.009 3.524) 7.065 19.405 ( 5.524 -2.890 1.744) 6.473 19.628 ( 2.360 6.403 -0.812) 6.873 19.737 ( -0.378 -3.661 -0.095) 3.682 19.875 ( -0.321 2.882 -2.644) 3.924 19.944 ( 1.389 -2.711 -2.463) 3.917 20.250 ( -0.453 3.235 -1.245) 3.496 20.324 ( -1.679 -3.402 -0.348) 3.810 23.097 ( -0.689 3.036 0.991) 3.267 23.181 ( -0.894 -4.713 0.966) 4.893 23.618 ( -2.616 3.020 1.964) 4.452 23.657 ( -3.079 -0.251 2.135) 3.755 23.991 ( -0.185 4.920 -3.849) 6.250 24.074 ( -1.385 -2.565 -4.661) 5.497 24.260 ( -2.031 6.618 1.613) 7.108 24.311 ( -0.012 2.388 -1.667) 2.912 24.455 ( -1.313 -0.663 -0.003) 1.471 24.511 ( 3.494 -5.182 -3.829) 7.330 24.887 ( -2.256 2.583 3.651) 5.009 24.949 ( -5.267 -2.779 2.106) 6.317 24.989 ( 2.745 2.379 0.906) 3.743 25.076 ( 9.173 -4.806 -1.048) 10.408 25.477 ( 6.080 3.599 -4.179) 8.209 25.577 ( 6.876 -5.398 -4.797) 9.971 26.108 ( -2.055 2.361 1.531) 3.484 26.178 ( 1.138 -3.689 -0.981) 3.983 26.624 ( -4.928 4.455 -0.211) 6.646 26.667 ( -9.248 -0.727 -2.636) 9.644 26.812 ( -4.146 2.586 7.214) 8.713 26.906 ( -3.803 -4.626 7.969) 9.968 27.376 ( 2.237 8.103 -6.373) 10.549 27.541 ( 2.777 -6.826 -5.834) 9.399 33.981 ( 12.532 2.966 5.677) 14.074 34.055 ( 10.954 -3.680 4.195) 12.294 34.248 ( -0.934 2.961 -1.740) 3.559 34.313 ( -1.510 -2.591 -2.384) 3.831 34.535 ( -0.172 0.622 -3.414) 3.475 34.561 ( -1.233 -1.401 -5.757) 6.052 35.549 ( 0.453 4.142 5.451) 6.861 35.612 ( -2.577 -1.913 4.419) 5.462 35.725 ( -19.508 5.259 -1.644) 20.271 35.857 ( -23.742 -4.214 -6.375) 24.942 36.167 ( -4.585 0.185 1.206) 4.745 36.206 ( -6.313 -2.761 -2.200) 7.233 38.152 ( 2.791 1.268 5.787) 6.549 38.190 ( 1.513 -2.114 1.730) 3.123 38.299 ( -10.114 1.269 -5.244) 11.463 38.326 ( -10.792 -1.126 -6.126) 12.460 39.023 ( 6.190 1.895 6.280) 9.019 39.068 ( 5.145 -1.927 4.917) 7.372 39.314 ( -2.531 2.833 2.988) 4.834 39.350 ( -1.996 -0.620 1.353) 2.490 39.612 ( 8.472 3.359 -1.996) 9.329 39.694 ( 8.061 -4.240 -3.905) 9.910 40.020 ( 11.365 4.864 -2.753) 12.664 40.130 ( 11.636 -4.839 -2.226) 12.797 77.141 ( -7.911 -1.560 0.886) 8.112 77.169 ( -8.447 -4.079 1.922) 9.576 77.678 ( -4.641 7.414 3.780) 9.528 77.854 ( -4.152 -9.074 6.794) 12.072 78.365 ( 0.410 0.503 -1.997) 2.100 78.368 ( 0.003 0.318 -1.347) 1.384 79.477 ( 1.175 0.138 -15.728) 15.772 79.566 ( -0.701 -7.249 -14.570) 16.289 80.537 ( 19.148 20.160 10.557) 29.741 80.922 ( 16.124 -12.012 2.130) 20.219 81.709 ( 12.785 7.073 11.703) 18.721 81.801 ( 15.500 -2.621 8.548) 17.894 82.181 ( 7.510 -0.762 3.172) 8.188 82.238 ( 7.065 -4.400 -1.967) 8.552 82.805 ( 9.126 6.864 -15.772) 19.472 82.966 ( 9.489 -6.212 -11.936) 16.465 83.594 ( -14.875 4.612 -1.206) 15.620 83.657 ( -13.714 -0.394 -5.384) 14.739 84.218 ( -3.709 10.471 -13.177) 17.234 84.289 ( -9.023 3.248 -6.085) 11.358 86.498 ( 18.937 20.514 37.995) 47.149 87.174 ( 25.353 -41.618 48.024) 68.419 89.105 ( -18.495 12.623 -11.315) 25.088 89.405 ( -15.143 -14.039 -8.943) 22.503 ======================= Grid point 21 (14/78) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 10.817 7.717 -0.515) 13.298 1.860 ( 5.927 -5.348 -3.417) 8.683 2.180 ( 4.405 7.077 -2.990) 8.857 2.313 ( 0.076 -5.425 -4.042) 6.766 2.452 ( 2.844 4.937 -1.679) 5.940 2.589 ( 6.080 -5.714 8.049) 11.593 2.595 ( 5.880 1.600 15.699) 16.840 2.646 ( 13.367 -1.938 21.096) 25.049 2.930 ( 3.662 1.137 10.867) 11.523 2.972 ( 5.282 -2.054 11.024) 12.396 3.267 ( 2.473 7.296 1.010) 7.770 3.375 ( 0.008 -2.142 -0.052) 2.143 3.467 ( -1.572 1.254 -1.852) 2.734 3.489 ( -2.171 -0.624 1.061) 2.495 3.747 ( -11.486 0.808 -15.168) 19.043 3.770 ( -13.936 -1.280 -16.361) 21.530 4.632 ( 5.418 2.562 2.438) 6.470 4.644 ( 0.471 2.861 9.830) 10.249 4.862 ( -1.959 8.435 -11.332) 14.262 5.021 ( -3.252 -2.418 -11.296) 12.001 5.082 ( -1.277 10.192 -7.414) 12.668 5.417 ( 4.744 -13.862 -1.382) 14.716 5.722 ( -0.558 4.498 1.341) 4.726 5.807 ( 0.389 -2.091 -1.832) 2.807 5.943 ( -8.529 5.044 1.284) 9.992 6.048 ( -1.863 -3.913 2.616) 5.062 6.127 ( -0.847 2.007 0.212) 2.189 6.221 ( -5.672 -3.871 -0.323) 6.875 6.873 ( -1.250 1.117 0.693) 1.814 6.915 ( -0.816 -1.320 1.700) 2.302 7.196 ( 1.930 -0.694 -0.433) 2.096 7.268 ( 0.096 -6.610 -3.393) 7.431 7.470 ( 0.095 2.159 -0.178) 2.168 7.514 ( -2.644 -1.971 -1.905) 3.808 8.119 ( 2.523 4.279 3.023) 5.815 8.173 ( 0.339 -0.296 1.635) 1.696 8.557 ( 1.656 1.712 -0.474) 2.428 8.610 ( 1.855 -2.278 0.245) 2.948 8.751 ( 2.094 1.149 4.565) 5.152 8.805 ( 0.620 -2.579 1.436) 3.016 9.170 ( 0.880 0.742 4.748) 4.885 9.248 ( -1.247 -6.465 5.744) 8.738 9.537 ( -3.837 2.177 -9.111) 10.123 9.658 ( -4.170 -7.874 -10.096) 13.465 10.526 ( -1.696 5.237 2.698) 6.130 10.604 ( -1.183 -1.564 -0.784) 2.112 10.829 ( 9.988 13.809 6.948) 18.404 11.073 ( 14.326 -1.715 4.449) 15.099 11.223 ( -0.792 -5.464 3.393) 6.480 11.293 ( 1.287 -7.045 -1.177) 7.258 12.042 ( 2.411 5.090 -5.654) 7.980 12.154 ( 0.660 -4.514 -4.639) 6.506 12.537 ( 6.179 3.467 1.275) 7.199 12.617 ( 6.664 -1.047 -0.057) 6.746 12.892 ( -4.303 10.539 2.258) 11.606 13.217 ( 4.936 -16.301 3.591) 17.406 13.631 ( -16.410 12.650 -2.077) 20.824 13.881 ( -13.221 -9.467 -0.956) 16.289 14.074 ( -4.460 5.320 1.441) 7.090 14.171 ( -6.223 -3.837 0.653) 7.340 17.387 ( -0.817 -1.250 -0.686) 1.643 17.400 ( -1.858 -2.683 0.725) 3.343 17.708 ( -0.392 0.631 1.050) 1.287 17.738 ( -1.527 -1.889 2.507) 3.491 17.977 ( -3.116 1.112 1.179) 3.512 17.996 ( -2.433 -0.147 -2.376) 3.404 18.277 ( 0.441 3.469 -2.140) 4.100 18.325 ( -2.088 -0.376 -2.091) 2.979 18.434 ( 4.505 4.547 2.376) 6.828 18.557 ( 4.363 -4.932 2.815) 7.161 18.833 ( -5.037 6.852 -6.684) 10.817 18.980 ( -2.325 -6.511 -3.173) 7.607 19.007 ( -0.849 7.394 2.402) 7.821 19.151 ( 2.053 -3.442 1.223) 4.190 19.340 ( 2.575 0.020 2.256) 3.424 19.422 ( 5.639 -4.988 0.885) 7.580 19.556 ( 6.051 1.745 0.566) 6.323 19.596 ( 9.102 -2.025 1.187) 9.400 19.665 ( 3.034 2.475 1.818) 4.317 19.736 ( 2.473 -3.188 1.261) 4.226 19.884 ( 1.708 5.071 -2.478) 5.897 19.967 ( 1.210 -2.204 -2.409) 3.482 20.183 ( -5.654 2.516 -1.571) 6.385 20.239 ( -5.631 -2.122 -0.973) 6.096 23.083 ( -0.859 2.782 0.523) 2.958 23.163 ( -1.035 -4.575 0.552) 4.723 23.583 ( -1.369 3.358 1.303) 3.854 23.629 ( -0.699 -0.503 1.463) 1.698 23.973 ( -0.026 2.543 -1.948) 3.203 24.024 ( -1.697 -1.984 -4.460) 5.168 24.251 ( -0.343 6.304 2.229) 6.696 24.318 ( 0.974 2.126 -1.155) 2.608 24.455 ( 1.044 1.609 -1.020) 2.172 24.569 ( 3.217 -6.573 -3.410) 8.074 24.793 ( -4.794 0.642 2.256) 5.337 24.841 ( -4.998 -3.384 1.809) 6.301 25.141 ( 7.768 5.416 2.315) 9.749 25.268 ( 8.671 -5.678 0.276) 10.369 25.569 ( 4.251 4.015 -2.276) 6.275 25.683 ( 4.926 -6.391 -3.103) 8.645 26.046 ( -3.694 4.150 -0.315) 5.565 26.163 ( -2.604 -6.449 -2.183) 7.290 26.463 ( -6.735 3.367 -0.801) 7.572 26.514 ( -6.548 -1.066 1.437) 6.788 26.811 ( 0.382 3.922 7.051) 8.078 26.882 ( -1.515 -1.878 2.672) 3.600 27.386 ( 0.887 7.776 -4.112) 8.841 27.556 ( 0.804 -7.360 -4.096) 8.461 34.205 ( 2.228 2.091 -0.209) 3.063 34.256 ( 4.630 -2.150 0.753) 5.160 34.319 ( 8.956 1.283 3.012) 9.536 34.349 ( 10.005 -1.215 4.256) 10.940 34.519 ( 2.326 -0.518 -2.083) 3.165 34.527 ( 1.489 -1.065 -3.074) 3.578 35.251 ( -22.735 3.641 -6.174) 23.838 35.303 ( -23.963 -1.032 -6.968) 24.976 35.596 ( 1.055 3.599 5.280) 6.477 35.688 ( 1.026 -4.488 4.869) 6.700 36.060 ( -4.842 2.849 0.035) 5.618 36.129 ( -2.886 -3.474 0.510) 4.545 38.067 ( -6.622 1.217 -4.277) 7.976 38.098 ( -5.421 -1.630 -3.583) 6.699 38.246 ( 0.935 0.946 2.051) 2.444 38.267 ( 1.041 -0.930 1.222) 1.855 39.139 ( 3.060 1.724 5.285) 6.345 39.166 ( 3.204 -0.419 3.652) 4.876 39.278 ( -1.765 2.465 0.400) 3.058 39.331 ( -0.525 -2.453 0.683) 2.600 39.753 ( 5.714 1.960 0.534) 6.064 39.801 ( 4.499 -2.458 -5.417) 7.459 40.203 ( 7.058 4.801 -0.616) 8.559 40.311 ( 6.837 -4.744 -1.152) 8.401 76.957 ( -7.593 -1.554 -1.372) 7.871 76.973 ( -7.994 -2.822 -2.484) 8.834 77.750 ( 4.702 5.172 10.835) 12.894 77.878 ( 1.248 -6.553 4.068) 7.813 78.367 ( -0.080 0.474 0.726) 0.871 78.371 ( 0.452 0.152 -0.699) 0.846 79.414 ( -1.212 -3.817 -12.373) 13.005 79.479 ( -2.211 -8.655 -11.498) 14.560 80.965 ( 17.726 18.949 15.248) 30.096 81.307 ( 17.035 -10.441 7.310) 21.276 81.847 ( 4.233 17.872 -5.843) 19.274 82.061 ( 7.355 -5.910 3.651) 10.117 82.323 ( 5.894 -5.140 -10.424) 13.032 82.352 ( 8.751 -5.075 -0.882) 10.154 82.896 ( 0.022 9.792 -15.505) 18.338 83.098 ( 1.885 -6.687 -8.970) 11.346 83.336 ( -10.445 1.289 17.386) 20.323 83.359 ( -10.454 -1.861 12.380) 16.310 84.031 ( -7.937 11.522 -14.219) 19.948 84.142 ( -3.710 2.738 -11.500) 12.390 87.107 ( 27.449 24.350 36.661) 51.869 87.770 ( 18.398 -33.508 30.505) 48.906 88.644 ( -20.794 12.569 -13.970) 28.027 89.015 ( -19.449 -19.116 -15.264) 31.252 ======================= Grid point 22 (15/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.002 0.990 0.000) 0.990 1.864 ( -0.002 1.298 -0.000) 1.298 2.218 ( 0.000 0.502 0.000) 0.502 2.301 ( 0.000 -7.076 -0.000) 7.076 2.488 ( -0.000 5.900 -0.000) 5.900 2.539 ( 0.000 0.245 -0.000) 0.245 2.746 ( 0.000 -0.835 0.000) 0.835 2.781 ( 0.000 -3.251 -0.000) 3.251 3.115 ( 0.000 2.395 0.000) 2.395 3.149 ( 0.000 -0.944 0.000) 0.944 3.364 ( 0.000 2.638 0.000) 2.638 3.379 ( 0.000 0.832 0.000) 0.832 3.437 ( -0.000 1.318 -0.000) 1.318 3.453 ( 0.000 0.388 0.000) 0.388 3.491 ( -0.000 1.239 -0.000) 1.239 3.527 ( -0.000 -1.100 -0.000) 1.100 4.658 ( 0.000 1.359 -0.000) 1.359 4.701 ( 0.000 -2.726 0.000) 2.726 4.762 ( 0.000 10.718 -0.000) 10.718 4.947 ( 0.000 -5.063 -0.000) 5.063 5.157 ( 0.000 15.712 0.000) 15.712 5.457 ( 0.000 -5.181 -0.000) 5.181 5.701 ( -0.000 7.997 0.000) 7.997 5.830 ( -0.000 -0.386 0.000) 0.386 5.847 ( 0.000 0.025 -0.000) 0.025 6.004 ( 0.000 -10.567 0.000) 10.567 6.134 ( 0.000 -0.676 0.000) 0.676 6.165 ( 0.000 -2.270 -0.000) 2.270 6.862 ( 0.000 0.976 -0.000) 0.976 6.909 ( 0.000 -0.814 0.000) 0.814 7.231 ( 0.000 -3.358 0.000) 3.358 7.248 ( 0.000 -5.946 -0.000) 5.946 7.470 ( 0.000 1.394 -0.000) 1.394 7.484 ( 0.000 0.347 0.000) 0.347 8.165 ( -0.000 2.303 -0.000) 2.303 8.169 ( 0.000 2.048 0.000) 2.048 8.576 ( 0.000 1.564 0.000) 1.564 8.630 ( 0.000 -2.954 -0.000) 2.954 8.783 ( 0.000 1.651 -0.000) 1.651 8.807 ( 0.000 0.110 0.000) 0.110 9.191 ( 0.000 -0.238 0.000) 0.238 9.240 ( 0.000 -5.461 -0.000) 5.461 9.480 ( 0.000 1.073 0.000) 1.073 9.595 ( 0.000 -8.295 0.000) 8.295 10.515 ( 0.000 4.540 0.000) 4.540 10.591 ( 0.000 -2.169 -0.000) 2.169 10.934 ( 0.000 15.020 -0.000) 15.020 11.212 ( 0.000 0.205 0.000) 0.205 11.259 ( 0.000 -9.247 -0.000) 9.247 11.321 ( 0.000 -5.290 0.000) 5.290 12.056 ( -0.000 2.595 0.000) 2.595 12.085 ( 0.000 -0.452 0.000) 0.452 12.627 ( 0.000 -1.279 0.000) 1.279 12.654 ( 0.000 -4.095 0.000) 4.095 12.983 ( 0.000 18.767 0.000) 18.767 13.350 ( 0.000 4.195 0.000) 4.195 13.404 ( 0.000 -10.586 -0.000) 10.586 13.604 ( 0.000 -10.117 0.000) 10.117 14.052 ( 0.000 4.205 -0.000) 4.205 14.117 ( 0.000 -1.583 0.000) 1.583 17.377 ( 0.000 -2.119 -0.000) 2.119 17.385 ( 0.000 -2.914 0.000) 2.914 17.714 ( 0.000 0.150 -0.000) 0.150 17.719 ( -0.000 -0.027 0.000) 0.027 17.949 ( 0.000 1.045 0.000) 1.045 17.966 ( 0.000 -0.042 -0.000) 0.042 18.271 ( 0.000 1.730 0.000) 1.730 18.298 ( 0.000 -0.308 0.000) 0.308 18.519 ( 0.000 4.675 0.000) 4.675 18.631 ( 0.000 -4.351 0.000) 4.351 18.737 ( 0.000 7.964 -0.000) 7.964 18.887 ( 0.000 -2.148 -0.000) 2.148 19.043 ( 0.000 2.392 0.000) 2.392 19.180 ( 0.000 -4.453 -0.000) 4.453 19.372 ( 0.000 1.786 0.000) 1.786 19.489 ( 0.000 -6.128 0.000) 6.128 19.608 ( 0.000 -0.106 0.000) 0.106 19.612 ( -0.000 0.164 -0.000) 0.164 19.781 ( 0.000 0.959 -0.000) 0.959 19.814 ( 0.000 -1.440 0.000) 1.440 19.906 ( 0.000 4.567 -0.000) 4.567 19.975 ( 0.000 -2.206 0.000) 2.206 20.076 ( 0.000 4.219 -0.000) 4.219 20.163 ( 0.000 -2.936 -0.000) 2.936 23.074 ( 0.000 2.635 0.000) 2.635 23.153 ( 0.000 -4.549 0.000) 4.549 23.573 ( 0.000 3.755 0.000) 3.755 23.627 ( 0.000 -0.776 0.000) 0.776 23.981 ( -0.000 0.129 -0.000) 0.129 23.987 ( 0.000 -0.765 0.000) 0.765 24.252 ( 0.000 6.363 -0.000) 6.363 24.328 ( 0.000 1.909 0.000) 1.909 24.467 ( 0.000 2.537 0.000) 2.537 24.597 ( 0.000 -6.834 -0.000) 6.834 24.746 ( 0.000 0.419 0.000) 0.419 24.790 ( -0.000 -3.398 -0.000) 3.398 25.239 ( 0.000 5.512 0.000) 5.512 25.361 ( 0.000 -4.596 0.000) 4.596 25.615 ( 0.000 2.933 0.000) 2.933 25.729 ( 0.000 -6.058 -0.000) 6.058 26.003 ( 0.000 3.297 -0.000) 3.297 26.103 ( 0.000 -6.076 0.000) 6.076 26.415 ( 0.000 1.978 0.000) 1.978 26.435 ( 0.000 -0.125 -0.000) 0.125 26.845 ( 0.000 1.957 -0.000) 1.957 26.858 ( 0.000 1.447 0.000) 1.447 27.386 ( 0.000 7.285 -0.000) 7.285 27.555 ( 0.000 -7.516 -0.000) 7.516 34.226 ( 0.000 1.599 0.000) 1.599 34.260 ( -0.000 -1.086 -0.000) 1.086 34.409 ( 0.000 -0.457 -0.000) 0.457 34.435 ( 0.000 -2.407 -0.000) 2.407 34.709 ( -0.000 1.675 -0.000) 1.675 34.712 ( 0.000 1.417 0.000) 1.417 34.869 ( -0.000 0.994 -0.000) 0.994 34.910 ( 0.000 -2.595 0.000) 2.595 35.619 ( 0.000 4.870 -0.000) 4.870 35.718 ( 0.000 -4.072 -0.000) 4.072 36.005 ( 0.000 3.928 0.000) 3.928 36.098 ( 0.000 -4.385 -0.000) 4.385 37.992 ( 0.000 1.756 0.000) 1.756 38.035 ( 0.000 -2.164 0.000) 2.164 38.261 ( 0.000 0.901 -0.000) 0.901 38.280 ( 0.000 -0.803 0.000) 0.803 39.177 ( 0.000 2.284 0.000) 2.284 39.217 ( 0.000 -1.139 0.000) 1.139 39.250 ( -0.000 3.556 -0.000) 3.556 39.328 ( 0.000 -3.539 -0.000) 3.539 39.824 ( 0.000 -0.147 0.000) 0.147 39.826 ( -0.000 -0.220 -0.000) 0.220 40.274 ( 0.000 4.559 -0.000) 4.559 40.378 ( 0.000 -4.615 0.000) 4.615 76.876 ( 0.000 -1.511 0.000) 1.511 76.888 ( 0.000 -2.430 0.000) 2.430 77.841 ( 0.000 1.922 0.000) 1.922 77.886 ( 0.000 -2.269 -0.000) 2.269 78.368 ( 0.000 0.585 -0.000) 0.585 78.374 ( 0.000 -0.008 0.000) 0.008 79.376 ( 0.000 -5.329 0.000) 5.329 79.431 ( 0.000 -9.419 0.000) 9.419 81.222 ( 0.000 17.906 0.000) 17.906 81.458 ( 0.000 1.159 -0.000) 1.159 81.991 ( -0.000 -1.313 -0.000) 1.313 82.027 ( 0.000 0.333 0.000) 0.333 82.441 ( 0.000 2.256 0.000) 2.256 82.470 ( -0.000 -1.239 -0.000) 1.239 82.775 ( 0.000 2.113 0.000) 2.113 82.934 ( 0.000 -11.021 0.000) 11.021 83.311 ( 0.000 4.480 -0.000) 4.480 83.396 ( 0.000 -3.256 0.000) 3.256 83.899 ( 0.000 14.735 -0.000) 14.735 84.074 ( 0.000 0.491 0.000) 0.491 87.724 ( 0.000 14.705 0.000) 14.705 87.787 ( -0.000 12.908 -0.000) 12.908 88.566 ( -0.000 -17.770 -0.000) 17.770 88.584 ( 0.000 -22.579 0.000) 22.579 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 1.455 0.000 19.986) 20.039 0.503 ( -12.294 0.000 24.897) 27.767 1.101 ( 26.896 0.000 50.943) 57.607 1.847 ( -1.479 0.000 0.064) 1.480 1.904 ( 4.335 0.000 2.889) 5.209 1.951 ( 11.257 0.000 17.376) 20.704 2.121 ( -1.504 0.000 1.417) 2.067 2.690 ( 2.618 0.000 -14.177) 14.417 2.805 ( 0.819 0.000 -2.381) 2.518 3.112 ( -7.950 0.000 -6.929) 10.546 3.362 ( -1.721 0.000 -2.184) 2.781 3.400 ( -3.880 0.000 5.368) 6.623 3.465 ( -2.143 0.000 4.131) 4.654 3.576 ( 1.022 0.000 -9.576) 9.630 3.780 ( 0.265 0.000 -1.680) 1.701 4.016 ( -3.398 0.000 -11.234) 11.737 4.389 ( -2.139 0.000 -2.414) 3.225 4.452 ( 7.013 0.000 8.393) 10.937 5.233 ( 1.034 0.000 4.509) 4.626 5.408 ( -6.753 0.000 -0.084) 6.753 5.499 ( -5.506 0.000 3.734) 6.652 5.693 ( -0.239 0.000 0.160) 0.288 5.741 ( -1.900 0.000 -5.480) 5.800 5.852 ( 0.515 0.000 -4.768) 4.796 6.007 ( 0.274 0.000 3.102) 3.114 6.114 ( -2.897 0.000 -8.434) 8.918 6.123 ( -2.173 0.000 2.169) 3.070 6.609 ( 6.014 0.000 -10.290) 11.919 6.687 ( -0.358 0.000 -1.506) 1.548 6.866 ( 0.174 0.000 -0.191) 0.258 7.058 ( 0.596 0.000 1.816) 1.911 7.320 ( -11.004 0.000 0.017) 11.004 7.379 ( 0.115 0.000 5.148) 5.149 7.704 ( 3.507 0.000 -0.575) 3.554 8.122 ( -3.860 0.000 3.723) 5.363 8.239 ( 0.146 0.000 0.566) 0.585 8.532 ( 1.951 0.000 2.353) 3.056 8.606 ( -1.950 0.000 4.891) 5.265 8.645 ( 0.079 0.000 -2.502) 2.503 9.300 ( 7.331 0.000 3.235) 8.013 9.367 ( 0.409 0.000 -5.123) 5.140 9.607 ( 28.613 0.000 2.100) 28.690 9.674 ( 4.830 0.000 -0.153) 4.832 9.905 ( -32.359 0.000 -6.181) 32.944 9.989 ( -0.720 0.000 0.362) 0.806 10.131 ( -16.941 0.000 -0.913) 16.966 10.190 ( 3.559 0.000 -20.615) 20.920 10.471 ( 0.545 0.000 -12.603) 12.615 11.181 ( 7.717 0.000 8.064) 11.161 11.623 ( 4.659 0.000 6.682) 8.146 11.808 ( -4.065 0.000 21.997) 22.369 11.943 ( 0.784 0.000 1.046) 1.308 12.533 ( -9.217 0.000 1.407) 9.324 12.740 ( -5.682 0.000 1.342) 5.838 13.108 ( 4.391 0.000 -1.860) 4.768 13.496 ( -1.504 0.000 -5.991) 6.177 13.597 ( 4.819 0.000 -9.303) 10.477 14.044 ( 7.289 0.000 14.091) 15.865 14.522 ( 20.938 0.000 -10.816) 23.567 14.794 ( -0.237 0.000 -2.004) 2.018 17.349 ( 0.358 0.000 1.791) 1.826 17.537 ( 0.096 0.000 0.826) 0.831 17.845 ( -1.648 0.000 3.206) 3.604 17.906 ( 1.036 0.000 1.213) 1.596 18.164 ( 7.164 0.000 -3.716) 8.071 18.175 ( 5.597 0.000 -9.909) 11.380 18.345 ( -2.908 0.000 -4.125) 5.047 18.403 ( -3.790 0.000 -0.624) 3.841 18.541 ( -3.390 0.000 2.687) 4.325 18.587 ( -0.456 0.000 2.993) 3.028 18.721 ( 13.139 0.000 -2.621) 13.398 18.776 ( -7.551 0.000 -1.947) 7.797 18.888 ( 7.338 0.000 6.356) 9.708 19.074 ( -3.646 0.000 3.368) 4.963 19.126 ( 0.297 0.000 0.372) 0.476 19.235 ( 4.375 0.000 1.359) 4.581 19.296 ( 3.188 0.000 9.909) 10.410 19.450 ( -2.068 0.000 8.710) 8.952 19.513 ( 0.505 0.000 -0.835) 0.976 19.616 ( -19.622 0.000 -2.486) 19.779 19.740 ( 0.675 0.000 0.211) 0.707 20.063 ( -4.830 0.000 -4.237) 6.425 20.147 ( -0.477 0.000 -1.577) 1.647 20.385 ( 6.585 0.000 -4.268) 7.848 23.054 ( 0.018 0.000 2.217) 2.217 23.347 ( -1.085 0.000 -3.260) 3.436 23.512 ( 0.149 0.000 3.769) 3.772 23.540 ( 0.631 0.000 3.057) 3.122 23.642 ( 1.903 0.000 2.123) 2.851 24.006 ( 1.734 0.000 -3.826) 4.200 24.217 ( -2.773 0.000 -0.006) 2.773 24.242 ( -2.560 0.000 0.797) 2.681 24.494 ( -1.659 0.000 -2.311) 2.845 24.576 ( 2.527 0.000 -2.302) 3.418 24.708 ( -1.446 0.000 -1.611) 2.165 24.852 ( -2.955 0.000 -2.910) 4.147 25.133 ( -2.602 0.000 0.645) 2.681 25.219 ( 4.207 0.000 -0.226) 4.213 25.433 ( -10.550 0.000 4.026) 11.292 25.535 ( -5.774 0.000 0.916) 5.847 26.115 ( 1.269 0.000 -2.370) 2.688 26.156 ( 6.231 0.000 -2.190) 6.605 26.401 ( 1.705 0.000 3.230) 3.652 26.926 ( 0.359 0.000 3.930) 3.946 27.003 ( 0.047 0.000 -5.249) 5.249 27.054 ( -12.822 0.000 3.088) 13.189 27.251 ( 7.571 0.000 -2.971) 8.133 27.507 ( -6.896 0.000 -2.194) 7.237 33.648 ( 3.145 0.000 4.622) 5.591 34.056 ( 0.584 0.000 0.834) 1.019 34.121 ( -1.236 0.000 -0.824) 1.485 34.412 ( -2.651 0.000 6.772) 7.272 34.506 ( -1.725 0.000 -4.846) 5.144 34.749 ( -3.682 0.000 5.890) 6.946 35.427 ( 1.557 0.000 -4.958) 5.197 35.827 ( 4.947 0.000 3.934) 6.321 35.870 ( 5.695 0.000 6.826) 8.889 35.958 ( -0.031 0.000 -12.261) 12.261 36.589 ( -1.740 0.000 -10.626) 10.767 36.732 ( -6.350 0.000 -6.509) 9.094 38.063 ( 9.211 0.000 5.728) 10.846 38.242 ( 2.900 0.000 8.278) 8.771 38.707 ( -11.774 0.000 -4.999) 12.791 38.754 ( -8.068 0.000 -2.798) 8.539 38.761 ( 3.997 0.000 4.347) 5.905 39.039 ( 7.609 0.000 2.337) 7.960 39.088 ( 3.189 0.000 4.882) 5.831 39.226 ( 2.045 0.000 0.497) 2.104 39.355 ( -4.655 0.000 -0.563) 4.689 39.463 ( 6.984 0.000 -0.388) 6.994 39.669 ( -12.610 0.000 -1.503) 12.699 39.840 ( -1.090 0.000 -4.186) 4.326 77.154 ( 9.073 0.000 5.785) 10.761 77.517 ( 36.577 0.000 6.537) 37.157 78.132 ( -22.544 0.000 -5.100) 23.114 78.215 ( -16.721 0.000 -12.157) 20.673 78.511 ( -2.088 0.000 16.993) 17.121 78.757 ( 12.187 0.000 1.213) 12.247 79.114 ( 31.270 0.000 16.400) 35.309 79.738 ( -6.184 0.000 2.011) 6.503 79.922 ( -17.981 0.000 -18.927) 26.106 80.489 ( 23.277 0.000 1.042) 23.300 81.221 ( 0.706 0.000 -3.420) 3.492 81.416 ( -35.837 0.000 26.211) 44.399 81.505 ( -1.374 0.000 -14.520) 14.585 82.326 ( 2.815 0.000 -44.097) 44.187 82.417 ( -19.589 0.000 -10.278) 22.121 82.664 ( 8.118 0.000 19.384) 21.016 82.968 ( 7.356 0.000 7.389) 10.427 83.532 ( -2.239 0.000 -1.510) 2.701 83.957 ( -2.108 0.000 -11.881) 12.067 84.835 ( -15.381 0.000 -9.314) 17.981 86.565 ( -1.648 0.000 48.048) 48.076 89.156 ( 113.107 0.000 -3.803) 113.171 89.265 ( -7.246 0.000 -0.042) 7.246 89.871 ( 5.944 0.000 -11.685) 13.109 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 18.037 0.000 14.675) 23.253 0.754 ( 22.561 0.000 12.613) 25.847 1.755 ( 15.563 0.000 9.146) 18.052 1.954 ( 20.296 0.000 23.285) 30.889 2.059 ( 1.684 0.000 -1.071) 1.996 2.102 ( 9.570 0.000 14.333) 17.234 2.339 ( 12.047 0.000 12.596) 17.430 2.729 ( 6.362 0.000 -6.365) 8.999 2.859 ( 6.154 0.000 0.799) 6.205 3.062 ( 3.558 0.000 -6.372) 7.298 3.218 ( -9.613 0.000 -4.892) 10.786 3.378 ( -0.741 0.000 -0.363) 0.825 3.458 ( -1.897 0.000 4.603) 4.978 3.572 ( 2.528 0.000 -11.362) 11.640 3.717 ( -5.262 0.000 -2.909) 6.013 3.869 ( -6.657 0.000 -15.875) 17.214 4.290 ( -5.937 0.000 -1.501) 6.124 4.584 ( 3.031 0.000 9.923) 10.375 5.068 ( -14.687 0.000 -6.355) 16.003 5.320 ( -4.262 0.000 4.811) 6.427 5.357 ( -11.589 0.000 -2.873) 11.940 5.663 ( -1.936 0.000 -1.567) 2.491 5.708 ( 0.961 0.000 -1.989) 2.208 5.841 ( -0.372 0.000 -2.849) 2.873 6.027 ( 2.614 0.000 -2.368) 3.527 6.076 ( 1.305 0.000 -3.526) 3.759 6.106 ( 0.184 0.000 4.501) 4.505 6.438 ( -12.666 0.000 -3.262) 13.079 6.838 ( 8.973 0.000 -4.028) 9.835 6.868 ( 0.243 0.000 -1.351) 1.373 7.116 ( 3.940 0.000 3.823) 5.490 7.212 ( 0.262 0.000 1.370) 1.395 7.407 ( 1.056 0.000 5.007) 5.117 7.746 ( -0.722 0.000 -7.220) 7.256 8.126 ( 0.432 0.000 9.970) 9.980 8.199 ( -3.793 0.000 1.046) 3.935 8.546 ( -0.748 0.000 2.086) 2.216 8.547 ( -2.874 0.000 1.015) 3.048 8.679 ( 1.829 0.000 1.204) 2.189 9.255 ( -7.928 0.000 -1.006) 7.991 9.314 ( -14.012 0.000 4.565) 14.737 9.673 ( 25.069 0.000 2.776) 25.222 9.791 ( -2.265 0.000 2.506) 3.378 9.827 ( -4.438 0.000 -9.429) 10.421 10.000 ( 2.906 0.000 -1.948) 3.498 10.046 ( 5.226 0.000 -10.213) 11.473 10.220 ( 6.423 0.000 -9.222) 11.238 10.448 ( 2.513 0.000 -12.302) 12.557 11.479 ( 19.900 0.000 8.894) 21.797 11.719 ( 0.720 0.000 7.786) 7.820 11.810 ( -2.193 0.000 19.962) 20.082 11.984 ( 3.892 0.000 2.396) 4.570 12.294 ( -15.291 0.000 2.530) 15.499 12.594 ( -6.879 0.000 -8.893) 11.243 13.255 ( 9.839 0.000 -0.512) 9.852 13.414 ( -6.564 0.000 1.376) 6.706 13.596 ( -2.561 0.000 -11.034) 11.327 14.158 ( -0.713 0.000 12.611) 12.631 14.532 ( -8.350 0.000 -11.842) 14.490 14.673 ( -9.545 0.000 -4.907) 10.733 17.369 ( 0.426 0.000 2.638) 2.673 17.566 ( 2.310 0.000 1.085) 2.552 17.823 ( -1.001 0.000 0.315) 1.049 17.904 ( -3.002 0.000 1.643) 3.422 18.090 ( -5.631 0.000 -8.549) 10.237 18.140 ( -4.598 0.000 -5.232) 6.966 18.283 ( -4.079 0.000 2.869) 4.987 18.371 ( 0.515 0.000 -3.774) 3.809 18.517 ( -2.563 0.000 2.876) 3.853 18.589 ( -9.704 0.000 10.994) 14.664 18.697 ( -0.097 0.000 -0.396) 0.408 18.765 ( 7.000 0.000 -1.578) 7.175 19.037 ( 5.849 0.000 -3.466) 6.799 19.053 ( 1.346 0.000 0.145) 1.354 19.251 ( -2.724 0.000 3.939) 4.789 19.259 ( 7.719 0.000 3.038) 8.296 19.390 ( 3.649 0.000 6.588) 7.531 19.459 ( -0.933 0.000 6.298) 6.367 19.531 ( 6.862 0.000 1.895) 7.119 19.590 ( 6.491 0.000 -2.139) 6.834 19.790 ( 3.283 0.000 3.067) 4.493 19.965 ( -3.833 0.000 -4.244) 5.719 20.138 ( 0.035 0.000 -1.352) 1.352 20.435 ( 0.489 0.000 -10.044) 10.056 23.073 ( 0.693 0.000 2.449) 2.545 23.328 ( 0.375 0.000 -3.172) 3.194 23.507 ( -1.794 0.000 3.870) 4.265 23.554 ( -0.249 0.000 1.979) 1.995 23.760 ( 6.904 0.000 -0.216) 6.907 24.025 ( 1.342 0.000 -1.925) 2.346 24.132 ( -4.942 0.000 -2.017) 5.338 24.190 ( -2.539 0.000 -1.141) 2.784 24.455 ( 0.639 0.000 -2.598) 2.676 24.542 ( -3.955 0.000 -1.155) 4.120 24.765 ( 6.308 0.000 5.031) 8.068 24.910 ( 8.838 0.000 -5.414) 10.364 25.145 ( 0.110 0.000 1.020) 1.026 25.255 ( -2.660 0.000 4.770) 5.462 25.284 ( -2.848 0.000 4.737) 5.527 25.494 ( 3.407 0.000 -4.433) 5.591 26.138 ( -0.144 0.000 -7.251) 7.252 26.252 ( 2.860 0.000 2.407) 3.738 26.451 ( 2.070 0.000 2.547) 3.282 26.858 ( -5.813 0.000 1.021) 5.902 26.959 ( -2.853 0.000 8.466) 8.934 26.966 ( -1.501 0.000 -7.929) 8.070 27.253 ( -7.046 0.000 4.052) 8.129 27.483 ( 6.305 0.000 -7.636) 9.902 33.802 ( 10.028 0.000 7.779) 12.692 34.105 ( -0.149 0.000 -2.482) 2.486 34.105 ( 4.190 0.000 1.497) 4.449 34.329 ( -3.449 0.000 -4.269) 5.488 34.520 ( 1.060 0.000 4.455) 4.579 34.695 ( -3.871 0.000 6.054) 7.186 35.417 ( -1.318 0.000 -4.303) 4.500 35.849 ( -6.878 0.000 -11.857) 13.707 35.863 ( -2.734 0.000 7.092) 7.601 35.988 ( 2.096 0.000 10.492) 10.700 36.341 ( -15.816 0.000 -12.464) 20.137 36.473 ( -14.178 0.000 -9.287) 16.949 38.191 ( 2.767 0.000 6.556) 7.116 38.360 ( 3.580 0.000 12.882) 13.370 38.408 ( -13.928 0.000 -5.490) 14.970 38.484 ( -14.860 0.000 -7.162) 16.496 38.927 ( 10.211 0.000 4.164) 11.028 39.189 ( 3.550 0.000 2.480) 4.330 39.206 ( -0.076 0.000 5.727) 5.727 39.241 ( 1.591 0.000 -2.027) 2.576 39.340 ( 9.158 0.000 0.089) 9.158 39.578 ( 0.834 0.000 -8.044) 8.087 39.673 ( 12.301 0.000 1.626) 12.408 39.954 ( 12.224 0.000 -3.270) 12.653 77.419 ( 13.432 0.000 14.487) 19.756 77.552 ( -23.464 0.000 -11.504) 26.132 77.746 ( -24.306 0.000 -7.445) 25.421 78.092 ( 18.970 0.000 0.308) 18.972 78.519 ( -5.230 0.000 12.884) 13.905 78.893 ( -40.112 0.000 -0.505) 40.115 79.387 ( 38.298 0.000 9.226) 39.393 79.642 ( -3.076 0.000 -5.021) 5.889 79.754 ( 26.816 0.000 12.679) 29.662 80.585 ( -9.113 0.000 9.625) 13.255 81.108 ( -6.551 0.000 -19.640) 20.703 81.643 ( 13.714 0.000 -0.699) 13.732 82.112 ( -4.021 0.000 -16.561) 17.042 82.146 ( 45.689 0.000 8.480) 46.470 82.283 ( 8.372 0.000 -35.057) 36.043 82.824 ( 2.783 0.000 11.362) 11.698 83.196 ( 11.197 0.000 9.692) 14.809 83.500 ( -1.631 0.000 5.891) 6.113 83.819 ( -6.530 0.000 -14.430) 15.839 84.500 ( -15.666 0.000 -7.922) 17.555 86.712 ( 0.087 0.000 48.768) 48.768 88.972 ( -20.957 0.000 -9.180) 22.879 89.670 ( -2.649 0.000 -20.513) 20.684 89.956 ( -14.270 0.000 2.998) 14.582 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 20.660 0.000 9.584) 22.775 1.228 ( 20.463 0.000 1.968) 20.557 1.996 ( 15.968 0.000 -9.253) 18.455 2.114 ( 5.185 0.000 -6.703) 8.474 2.296 ( 6.555 0.000 10.889) 12.710 2.486 ( 2.696 0.000 -5.128) 5.794 2.593 ( 24.224 0.000 31.436) 39.687 2.836 ( 0.970 0.000 0.599) 1.140 3.017 ( -2.521 0.000 -6.735) 7.191 3.095 ( 8.719 0.000 15.620) 17.888 3.131 ( 3.271 0.000 -2.971) 4.419 3.313 ( -3.800 0.000 -8.314) 9.142 3.399 ( -3.276 0.000 -0.625) 3.335 3.547 ( -1.945 0.000 -20.306) 20.399 3.588 ( -5.030 0.000 -6.198) 7.982 3.646 ( -9.174 0.000 -17.426) 19.694 4.261 ( 4.014 0.000 11.934) 12.591 4.651 ( -0.217 0.000 9.157) 9.160 4.717 ( -15.335 0.000 -13.216) 20.244 5.039 ( -15.724 0.000 -5.760) 16.746 5.245 ( -5.727 0.000 9.572) 11.155 5.690 ( 3.211 0.000 1.418) 3.510 5.697 ( -1.792 0.000 -1.669) 2.449 5.829 ( 0.344 0.000 -1.065) 1.119 6.092 ( -10.429 0.000 9.615) 14.185 6.098 ( 2.532 0.000 3.050) 3.964 6.108 ( 4.101 0.000 -4.188) 5.862 6.214 ( -2.275 0.000 -2.611) 3.463 6.869 ( 0.519 0.000 -1.744) 1.820 6.986 ( 6.863 0.000 -0.528) 6.883 7.219 ( 4.132 0.000 5.798) 7.120 7.282 ( 5.699 0.000 -0.431) 5.716 7.455 ( 1.870 0.000 4.097) 4.504 7.644 ( -6.066 0.000 -6.400) 8.818 8.118 ( -4.356 0.000 0.372) 4.372 8.138 ( -2.804 0.000 4.321) 5.151 8.535 ( 1.348 0.000 0.847) 1.592 8.543 ( 0.502 0.000 -0.278) 0.573 8.707 ( 0.769 0.000 1.095) 1.338 9.067 ( -9.946 0.000 -1.686) 10.087 9.210 ( -0.941 0.000 1.339) 1.637 9.627 ( -7.891 0.000 -14.617) 16.611 9.712 ( -5.264 0.000 4.862) 7.166 10.054 ( 2.751 0.000 -22.427) 22.595 10.075 ( 1.509 0.000 8.473) 8.606 10.196 ( 21.402 0.000 4.925) 21.961 10.329 ( 6.443 0.000 -11.807) 13.451 10.585 ( 16.200 0.000 2.503) 16.392 11.677 ( -6.933 0.000 6.823) 9.728 11.862 ( -0.567 0.000 6.651) 6.675 11.922 ( 19.118 0.000 2.167) 19.241 12.013 ( -12.746 0.000 17.089) 21.319 12.169 ( 15.089 0.000 6.397) 16.389 12.422 ( -6.672 0.000 -12.420) 14.099 13.242 ( -11.549 0.000 4.162) 12.276 13.424 ( -7.303 0.000 -8.876) 11.495 13.461 ( 7.667 0.000 -1.665) 7.846 14.114 ( -7.147 0.000 9.338) 11.759 14.250 ( -14.436 0.000 -10.252) 17.706 14.439 ( -11.585 0.000 -9.193) 14.790 17.392 ( 1.275 0.000 2.053) 2.417 17.619 ( 1.600 0.000 2.528) 2.992 17.771 ( -6.742 0.000 -5.424) 8.654 17.808 ( -0.140 0.000 -2.405) 2.409 18.001 ( -8.066 0.000 -5.243) 9.620 18.065 ( 3.027 0.000 -1.486) 3.372 18.175 ( -7.009 0.000 10.575) 12.686 18.309 ( -3.940 0.000 -5.093) 6.440 18.500 ( -0.243 0.000 4.955) 4.961 18.512 ( -0.212 0.000 6.585) 6.588 18.723 ( 0.532 0.000 4.132) 4.166 18.883 ( 0.089 0.000 2.237) 2.238 19.096 ( 2.367 0.000 -2.046) 3.128 19.163 ( 11.600 0.000 -4.778) 12.545 19.223 ( 0.085 0.000 0.522) 0.529 19.419 ( 5.026 0.000 7.239) 8.813 19.475 ( 3.034 0.000 3.308) 4.489 19.508 ( 3.785 0.000 5.049) 6.310 19.642 ( 4.391 0.000 -2.277) 4.946 19.712 ( 6.062 0.000 -2.412) 6.524 19.868 ( 2.941 0.000 4.568) 5.433 19.873 ( -3.818 0.000 -5.259) 6.498 20.134 ( -0.185 0.000 -0.103) 0.212 20.357 ( -4.489 0.000 -7.335) 8.599 23.084 ( -0.608 0.000 2.909) 2.972 23.335 ( 1.191 0.000 -2.356) 2.640 23.482 ( -1.966 0.000 3.458) 3.978 23.545 ( -0.790 0.000 -0.289) 0.841 23.885 ( 5.329 0.000 1.780) 5.618 24.049 ( -2.041 0.000 -1.750) 2.689 24.054 ( 1.961 0.000 1.406) 2.413 24.135 ( -2.411 0.000 -2.675) 3.601 24.469 ( -2.417 0.000 -1.655) 2.930 24.487 ( 3.370 0.000 -6.336) 7.176 24.919 ( 6.290 0.000 3.934) 7.419 25.090 ( -4.126 0.000 6.636) 7.814 25.094 ( 10.210 0.000 -5.420) 11.559 25.175 ( -5.143 0.000 5.487) 7.521 25.352 ( 5.164 0.000 -0.153) 5.167 25.612 ( 9.383 0.000 -6.693) 11.525 26.086 ( -1.039 0.000 -6.202) 6.288 26.259 ( -4.139 0.000 4.960) 6.460 26.471 ( -0.630 0.000 -2.545) 2.622 26.742 ( -6.371 0.000 2.084) 6.704 26.861 ( -6.504 0.000 -6.176) 8.969 26.938 ( -2.645 0.000 11.545) 11.844 27.163 ( -1.766 0.000 0.336) 1.798 27.585 ( 5.815 0.000 -5.472) 7.985 34.084 ( 14.927 0.000 9.520) 17.704 34.097 ( 0.996 0.000 -3.715) 3.846 34.237 ( 8.562 0.000 1.903) 8.771 34.274 ( -0.857 0.000 -5.312) 5.381 34.560 ( 1.048 0.000 7.055) 7.133 34.648 ( -3.024 0.000 6.714) 7.364 35.312 ( -9.063 0.000 -3.961) 9.891 35.573 ( -17.001 0.000 -8.781) 19.135 35.785 ( -7.667 0.000 7.801) 10.938 35.995 ( -12.360 0.000 -13.439) 18.258 36.010 ( -3.604 0.000 9.194) 9.876 36.222 ( -6.446 0.000 -10.064) 11.951 38.139 ( -11.221 0.000 -5.362) 12.436 38.218 ( -8.406 0.000 -4.094) 9.350 38.238 ( 0.159 0.000 5.101) 5.104 38.443 ( 0.012 0.000 13.057) 13.057 39.139 ( 6.960 0.000 6.497) 9.521 39.157 ( -1.551 0.000 -4.147) 4.428 39.176 ( -2.202 0.000 -0.142) 2.206 39.314 ( 4.131 0.000 -2.680) 4.924 39.547 ( 5.117 0.000 -12.551) 13.554 39.657 ( 12.166 0.000 9.123) 15.207 39.919 ( 11.423 0.000 -0.262) 11.426 40.207 ( 12.719 0.000 -1.288) 12.784 77.165 ( -12.410 0.000 -7.582) 14.542 77.304 ( -17.482 0.000 -4.875) 18.149 77.738 ( 11.217 0.000 17.667) 20.927 78.143 ( -20.302 0.000 -12.897) 24.052 78.363 ( 7.602 0.000 9.148) 11.894 78.667 ( -2.704 0.000 27.315) 27.448 79.600 ( 3.068 0.000 -13.339) 13.687 80.118 ( 27.086 0.000 2.189) 27.174 80.268 ( 21.567 0.000 11.033) 24.225 80.449 ( -7.675 0.000 9.026) 11.849 80.982 ( 6.207 0.000 -13.183) 14.572 81.792 ( 4.968 0.000 -26.837) 27.293 82.055 ( 7.019 0.000 -19.668) 20.883 82.395 ( 6.929 0.000 -11.555) 13.474 82.866 ( 23.386 0.000 7.695) 24.619 82.908 ( 4.365 0.000 4.829) 6.509 83.459 ( 11.307 0.000 12.956) 17.196 83.473 ( -5.689 0.000 6.631) 8.737 83.670 ( -2.380 0.000 2.358) 3.351 84.136 ( -18.407 0.000 -9.429) 20.681 86.970 ( 9.832 0.000 45.326) 46.380 88.378 ( -33.279 0.000 -21.135) 39.423 89.470 ( -9.877 0.000 -23.376) 25.377 89.627 ( -16.178 0.000 13.785) 21.254 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 13.585 0.000 -4.780) 14.402 1.587 ( 19.791 0.000 4.494) 20.295 2.198 ( 5.083 0.000 -9.640) 10.898 2.271 ( 7.019 0.000 0.782) 7.062 2.419 ( -7.416 0.000 -4.360) 8.603 2.444 ( 11.084 0.000 -1.134) 11.141 2.765 ( -1.956 0.000 -5.861) 6.179 2.998 ( 6.178 0.000 -0.032) 6.178 3.005 ( -13.067 0.000 -11.285) 17.266 3.011 ( -6.763 0.000 -0.812) 6.812 3.118 ( 1.621 0.000 -13.410) 13.508 3.347 ( 5.297 0.000 -2.382) 5.808 3.400 ( -2.127 0.000 -6.352) 6.698 3.407 ( -7.869 0.000 -10.777) 13.345 3.476 ( -1.396 0.000 -1.090) 1.771 3.546 ( 10.600 0.000 16.067) 19.249 4.353 ( -3.575 0.000 -12.052) 12.571 4.533 ( -12.149 0.000 -4.987) 13.132 4.614 ( 13.413 0.000 10.816) 17.231 4.898 ( 2.011 0.000 9.779) 9.983 5.179 ( -4.636 0.000 11.088) 12.018 5.587 ( -11.287 0.000 9.335) 14.647 5.739 ( 1.335 0.000 -1.804) 2.244 5.869 ( 3.171 0.000 2.800) 4.230 5.894 ( -7.258 0.000 2.138) 7.566 6.136 ( 1.290 0.000 1.131) 1.715 6.182 ( 2.211 0.000 1.734) 2.810 6.246 ( 1.922 0.000 2.770) 3.371 6.876 ( 0.694 0.000 -1.333) 1.503 7.097 ( 4.076 0.000 -1.129) 4.229 7.291 ( 0.372 0.000 6.074) 6.086 7.401 ( 4.405 0.000 1.092) 4.539 7.498 ( 0.888 0.000 2.605) 2.753 7.514 ( -2.695 0.000 -2.807) 3.892 8.044 ( -2.540 0.000 -1.279) 2.844 8.053 ( -5.305 0.000 -3.165) 6.177 8.576 ( 3.607 0.000 -2.560) 4.424 8.591 ( 3.463 0.000 0.924) 3.584 8.726 ( 0.319 0.000 3.691) 3.704 8.871 ( -8.916 0.000 -1.402) 9.025 9.206 ( -0.360 0.000 -0.192) 0.408 9.422 ( -6.717 0.000 -17.476) 18.722 9.694 ( 0.713 0.000 8.652) 8.681 10.018 ( 2.045 0.000 -21.710) 21.806 10.114 ( -0.873 0.000 12.858) 12.888 10.333 ( 4.473 0.000 -17.859) 18.410 10.518 ( 5.609 0.000 0.388) 5.622 11.025 ( 21.236 0.000 9.438) 23.239 11.506 ( -8.122 0.000 -6.094) 10.155 11.821 ( -5.585 0.000 20.769) 21.507 12.012 ( 3.398 0.000 15.484) 15.853 12.216 ( 12.277 0.000 -1.465) 12.364 12.253 ( -5.694 0.000 -6.141) 8.375 12.542 ( 14.698 0.000 5.049) 15.541 13.020 ( -11.427 0.000 3.519) 11.957 13.175 ( -11.314 0.000 -5.831) 12.728 13.650 ( 10.097 0.000 -3.502) 10.687 13.944 ( -10.693 0.000 -12.194) 16.219 13.979 ( -8.381 0.000 5.555) 10.055 14.165 ( -11.781 0.000 -11.015) 16.129 17.430 ( 2.145 0.000 -1.105) 2.413 17.570 ( -4.915 0.000 -4.943) 6.971 17.735 ( 2.917 0.000 2.328) 3.732 17.800 ( -5.564 0.000 -3.570) 6.611 17.811 ( -2.525 0.000 -0.820) 2.655 18.089 ( -1.267 0.000 -6.975) 7.089 18.122 ( -3.026 0.000 11.036) 11.443 18.258 ( 0.559 0.000 1.695) 1.785 18.528 ( 1.378 0.000 1.903) 2.350 18.582 ( 4.555 0.000 3.919) 6.009 18.734 ( -1.567 0.000 13.362) 13.453 18.828 ( -4.840 0.000 3.600) 6.032 19.113 ( 0.389 0.000 -3.344) 3.367 19.270 ( 4.324 0.000 -1.482) 4.571 19.393 ( 7.339 0.000 1.973) 7.599 19.456 ( 1.172 0.000 -2.055) 2.365 19.522 ( 1.214 0.000 -1.910) 2.263 19.638 ( 4.830 0.000 3.486) 5.957 19.716 ( 4.480 0.000 -1.713) 4.796 19.786 ( -1.583 0.000 -5.107) 5.347 19.787 ( 2.146 0.000 -4.464) 4.953 19.931 ( 1.220 0.000 5.961) 6.085 20.134 ( 0.266 0.000 2.114) 2.130 20.232 ( -5.780 0.000 -2.328) 6.231 23.074 ( -1.352 0.000 3.042) 3.329 23.352 ( 0.903 0.000 -0.680) 1.130 23.454 ( -2.020 0.000 2.499) 3.214 23.533 ( 0.481 0.000 -2.690) 2.733 23.949 ( 0.911 0.000 -1.723) 1.949 24.069 ( 3.194 0.000 5.116) 6.031 24.070 ( -3.273 0.000 -2.724) 4.258 24.114 ( 2.900 0.000 3.865) 4.832 24.440 ( 0.195 0.000 -2.317) 2.325 24.527 ( 3.413 0.000 -8.494) 9.154 24.979 ( -1.239 0.000 5.851) 5.981 25.050 ( -6.656 0.000 6.363) 9.209 25.102 ( 1.985 0.000 2.286) 3.027 25.324 ( 12.578 0.000 -8.300) 15.070 25.411 ( 0.603 0.000 1.294) 1.428 25.787 ( 10.314 0.000 -6.819) 12.364 26.110 ( 5.934 0.000 -3.668) 6.976 26.118 ( -11.063 0.000 3.918) 11.736 26.402 ( -3.608 0.000 -9.327) 10.000 26.632 ( -6.457 0.000 6.744) 9.337 26.701 ( -7.923 0.000 -0.856) 7.969 26.950 ( -0.770 0.000 14.362) 14.382 27.161 ( 1.666 0.000 -5.170) 5.432 27.671 ( 4.444 0.000 -2.397) 5.050 34.138 ( 4.420 0.000 -2.160) 4.919 34.238 ( -1.221 0.000 -3.224) 3.447 34.429 ( 14.518 0.000 7.811) 16.486 34.451 ( 12.556 0.000 2.431) 12.789 34.618 ( 2.065 0.000 8.212) 8.468 34.627 ( -1.609 0.000 7.112) 7.292 35.021 ( -16.578 0.000 -4.884) 17.283 35.192 ( -17.252 0.000 -3.434) 17.591 35.626 ( -10.196 0.000 3.941) 10.931 35.810 ( -1.943 0.000 -12.408) 12.559 35.921 ( -7.227 0.000 3.747) 8.141 36.127 ( -0.339 0.000 -10.369) 10.374 37.974 ( -3.529 0.000 -1.482) 3.827 38.121 ( -1.271 0.000 0.766) 1.484 38.239 ( -1.614 0.000 3.033) 3.436 38.466 ( -1.943 0.000 11.877) 12.035 39.090 ( -2.094 0.000 -6.079) 6.430 39.131 ( -1.821 0.000 -1.838) 2.587 39.240 ( 0.429 0.000 0.769) 0.880 39.367 ( 2.412 0.000 -3.274) 4.066 39.604 ( 5.657 0.000 -9.435) 11.001 39.928 ( 9.408 0.000 12.331) 15.510 40.089 ( 5.864 0.000 -2.679) 6.447 40.411 ( 7.762 0.000 -0.011) 7.762 76.988 ( -4.637 0.000 -3.643) 5.897 77.054 ( -5.834 0.000 -0.315) 5.843 77.723 ( -12.408 0.000 -15.618) 19.948 78.007 ( 5.493 0.000 11.763) 12.982 78.499 ( 1.682 0.000 15.522) 15.613 78.688 ( -6.433 0.000 24.468) 25.300 79.726 ( 13.830 0.000 -4.241) 14.466 80.299 ( -1.966 0.000 -20.028) 20.124 80.357 ( -4.675 0.000 8.010) 9.275 80.622 ( 13.785 0.000 8.527) 16.209 81.462 ( 34.688 0.000 11.144) 36.434 81.702 ( -2.060 0.000 -32.924) 32.988 82.225 ( 16.553 0.000 -19.393) 25.497 82.330 ( -7.073 0.000 -14.431) 16.072 82.949 ( -3.030 0.000 -13.306) 13.647 83.181 ( 7.903 0.000 5.162) 9.439 83.408 ( -1.442 0.000 20.932) 20.982 83.704 ( -13.819 0.000 3.727) 14.313 83.728 ( 1.581 0.000 5.046) 5.288 83.762 ( 3.910 0.000 23.893) 24.211 87.423 ( 15.973 0.000 26.595) 31.023 87.561 ( -34.035 0.000 -20.506) 39.735 89.108 ( -16.394 0.000 -27.381) 31.913 89.480 ( -3.605 0.000 5.902) 6.916 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 7.384 0.000 -5.434) 9.168 1.864 ( -1.941 0.000 -1.346) 2.362 2.136 ( 0.443 0.000 1.537) 1.600 2.164 ( -13.785 0.000 -10.339) 17.231 2.395 ( 7.272 0.000 -16.263) 17.815 2.624 ( -8.191 0.000 -19.036) 20.723 2.639 ( -16.551 0.000 -14.077) 21.727 2.753 ( 17.054 0.000 -4.785) 17.713 2.892 ( 0.155 0.000 -3.958) 3.961 2.925 ( -10.263 0.000 -6.228) 12.005 3.041 ( -10.265 0.000 2.259) 10.511 3.167 ( -8.415 0.000 -6.354) 10.544 3.332 ( 4.374 0.000 -7.497) 8.680 3.406 ( 1.669 0.000 -5.851) 6.084 3.751 ( 15.200 0.000 12.397) 19.615 3.790 ( 7.787 0.000 11.835) 14.167 4.311 ( -6.341 0.000 -7.051) 9.483 4.336 ( 8.133 0.000 -13.232) 15.531 4.897 ( -0.622 0.000 11.542) 11.559 5.062 ( 8.943 0.000 14.183) 16.767 5.182 ( 7.833 0.000 7.798) 11.053 5.422 ( -7.793 0.000 24.083) 25.313 5.752 ( 1.324 0.000 -3.140) 3.408 5.814 ( -2.228 0.000 -1.642) 2.768 5.933 ( 1.387 0.000 4.212) 4.435 6.152 ( -0.319 0.000 0.117) 0.340 6.185 ( -2.974 0.000 4.734) 5.591 6.280 ( 0.226 0.000 2.962) 2.971 6.882 ( 0.264 0.000 -0.715) 0.762 7.098 ( -2.791 0.000 -4.547) 5.335 7.273 ( -3.456 0.000 2.874) 4.494 7.420 ( 0.639 0.000 2.069) 2.165 7.499 ( -1.473 0.000 0.918) 1.736 7.598 ( 6.850 0.000 4.018) 7.942 7.948 ( -2.355 0.000 -6.219) 6.650 8.017 ( 0.126 0.000 -1.696) 1.701 8.649 ( 2.018 0.000 -2.808) 3.458 8.660 ( 2.588 0.000 2.860) 3.857 8.737 ( -1.399 0.000 -1.344) 1.940 8.743 ( 0.141 0.000 2.510) 2.514 9.174 ( -4.193 0.000 -5.710) 7.084 9.261 ( -2.233 0.000 -9.849) 10.099 9.764 ( 3.143 0.000 5.310) 6.171 9.980 ( 1.556 0.000 -20.455) 20.514 10.166 ( 1.333 0.000 17.188) 17.240 10.347 ( 3.514 0.000 -21.392) 21.679 10.487 ( -5.128 0.000 -4.827) 7.042 11.313 ( -1.899 0.000 -2.971) 3.526 11.377 ( -1.611 0.000 7.780) 7.945 11.745 ( -5.865 0.000 16.964) 17.949 12.135 ( 0.097 0.000 16.959) 16.959 12.349 ( -0.992 0.000 -2.802) 2.973 12.373 ( 19.596 0.000 10.148) 22.067 12.602 ( -9.125 0.000 -5.119) 10.462 12.854 ( -5.434 0.000 0.249) 5.440 13.043 ( 2.066 0.000 -3.039) 3.674 13.756 ( 1.576 0.000 -8.757) 8.897 13.813 ( -5.024 0.000 -8.511) 9.883 13.849 ( -5.838 0.000 0.947) 5.914 14.022 ( 9.538 0.000 -8.490) 12.770 17.458 ( 2.200 0.000 -7.417) 7.737 17.479 ( -1.630 0.000 -6.031) 6.248 17.640 ( -7.151 0.000 3.404) 7.919 17.823 ( 3.969 0.000 5.054) 6.427 17.864 ( 5.128 0.000 -0.725) 5.179 18.003 ( -2.635 0.000 -10.378) 10.707 18.109 ( -2.453 0.000 9.139) 9.463 18.252 ( -3.619 0.000 2.709) 4.521 18.590 ( 4.855 0.000 2.519) 5.470 18.684 ( 2.406 0.000 2.570) 3.521 18.768 ( -1.183 0.000 7.539) 7.631 18.789 ( 1.146 0.000 18.130) 18.166 19.094 ( -0.751 0.000 -3.883) 3.955 19.330 ( -6.449 0.000 -6.177) 8.930 19.347 ( 2.438 0.000 0.936) 2.611 19.497 ( -3.396 0.000 -4.098) 5.322 19.510 ( -0.581 0.000 -7.253) 7.276 19.680 ( -3.175 0.000 2.350) 3.950 19.739 ( 5.067 0.000 1.886) 5.406 19.752 ( -3.233 0.000 -6.962) 7.676 19.921 ( 11.679 0.000 -4.344) 12.461 19.946 ( -2.025 0.000 7.439) 7.710 20.137 ( -3.725 0.000 3.153) 4.880 20.170 ( 1.973 0.000 2.518) 3.199 23.059 ( -1.097 0.000 2.794) 3.002 23.367 ( 0.864 0.000 0.875) 1.230 23.424 ( -1.450 0.000 1.201) 1.883 23.544 ( 1.286 0.000 -3.717) 3.933 23.940 ( -1.095 0.000 -1.551) 1.899 23.995 ( -3.039 0.000 -2.197) 3.750 24.153 ( 2.207 0.000 7.450) 7.770 24.185 ( 2.546 0.000 4.464) 5.139 24.452 ( 1.459 0.000 -2.250) 2.682 24.568 ( 4.047 0.000 -8.821) 9.705 24.959 ( -4.089 0.000 4.531) 6.103 24.980 ( -1.183 0.000 8.762) 8.842 25.066 ( -5.422 0.000 -3.887) 6.672 25.439 ( 2.043 0.000 2.957) 3.594 25.517 ( 8.691 0.000 -9.899) 13.173 25.864 ( -7.158 0.000 -1.131) 7.247 25.989 ( 4.562 0.000 -0.250) 4.569 26.258 ( 5.547 0.000 -1.202) 5.676 26.314 ( 2.503 0.000 -9.500) 9.824 26.529 ( -6.687 0.000 7.249) 9.863 26.550 ( -6.104 0.000 -2.357) 6.543 27.010 ( 1.263 0.000 15.648) 15.699 27.175 ( 1.479 0.000 -5.519) 5.714 27.741 ( 2.919 0.000 -0.285) 2.933 34.208 ( -0.762 0.000 1.533) 1.711 34.252 ( 6.464 0.000 -0.270) 6.469 34.478 ( -15.010 0.000 -5.701) 16.056 34.563 ( -5.269 0.000 -2.127) 5.683 34.629 ( -0.969 0.000 7.849) 7.909 34.693 ( 1.736 0.000 9.493) 9.651 34.958 ( 11.798 0.000 7.517) 13.989 35.029 ( 8.555 0.000 3.182) 9.128 35.445 ( -7.015 0.000 -3.015) 7.635 35.775 ( -7.198 0.000 -3.307) 7.922 35.803 ( 5.142 0.000 -10.112) 11.344 36.112 ( 2.265 0.000 -9.595) 9.859 37.992 ( 4.640 0.000 3.724) 5.950 38.161 ( 3.831 0.000 5.522) 6.720 38.192 ( -3.733 0.000 -0.202) 3.739 38.460 ( -2.743 0.000 11.022) 11.359 39.026 ( -2.078 0.000 -7.300) 7.590 39.093 ( -1.135 0.000 -3.429) 3.612 39.197 ( -2.794 0.000 -6.500) 7.075 39.385 ( 0.636 0.000 -3.490) 3.548 39.667 ( 1.851 0.000 -1.361) 2.298 40.097 ( 3.195 0.000 12.109) 12.523 40.118 ( -1.662 0.000 -4.736) 5.019 40.498 ( 0.830 0.000 0.504) 0.971 76.951 ( 2.592 0.000 -0.921) 2.751 77.072 ( 5.491 0.000 6.087) 8.198 77.451 ( -8.830 0.000 -17.766) 19.839 78.112 ( 1.138 0.000 4.384) 4.529 78.540 ( -3.699 0.000 14.804) 15.259 78.603 ( -6.914 0.000 14.879) 16.407 80.065 ( 15.365 0.000 17.405) 23.217 80.115 ( -6.912 0.000 -22.983) 24.000 80.321 ( -2.034 0.000 9.549) 9.763 80.818 ( -0.663 0.000 1.780) 1.900 81.527 ( -1.991 0.000 -19.800) 19.899 81.970 ( 1.636 0.000 -8.799) 8.950 82.295 ( 16.941 0.000 8.032) 18.748 82.539 ( 20.952 0.000 -12.661) 24.480 82.732 ( -6.831 0.000 -28.534) 29.340 83.176 ( -15.688 0.000 -3.628) 16.102 83.372 ( -3.068 0.000 -0.375) 3.091 83.504 ( -2.471 0.000 30.318) 30.419 83.894 ( 2.262 0.000 16.002) 16.161 83.912 ( 1.521 0.000 23.697) 23.746 86.687 ( -32.491 0.000 -30.854) 44.806 88.042 ( 25.951 0.000 28.537) 38.573 88.646 ( -18.562 0.000 -37.603) 41.934 89.497 ( 3.841 0.000 -0.775) 3.918 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -23.608 0.000 3.256) 23.832 1.609 ( -23.923 0.000 -23.772) 33.726 1.865 ( -4.250 0.000 -8.312) 9.335 2.179 ( -9.055 0.000 -24.774) 26.377 2.268 ( -19.762 0.000 1.174) 19.797 2.374 ( 9.017 0.000 -10.646) 13.951 2.585 ( 0.739 0.000 -6.027) 6.072 2.616 ( -17.108 0.000 -2.141) 17.242 2.858 ( -0.694 0.000 -2.846) 2.929 2.943 ( 1.664 0.000 7.779) 7.955 2.969 ( 4.747 0.000 -4.324) 6.421 3.146 ( 11.364 0.000 -10.783) 15.666 3.418 ( 4.950 0.000 -3.170) 5.878 3.456 ( 5.308 0.000 -4.382) 6.883 3.933 ( 4.366 0.000 3.973) 5.903 4.031 ( 9.199 0.000 3.460) 9.828 4.236 ( 0.052 0.000 -5.373) 5.373 4.487 ( 2.238 0.000 -2.738) 3.537 4.720 ( -7.185 0.000 11.843) 13.853 5.327 ( 12.210 0.000 12.522) 17.490 5.435 ( 2.498 0.000 19.772) 19.929 5.532 ( 14.294 0.000 4.183) 14.893 5.771 ( 1.967 0.000 -4.640) 5.040 5.789 ( 1.079 0.000 2.940) 3.132 5.941 ( -3.784 0.000 9.861) 10.562 6.075 ( -5.519 0.000 -0.871) 5.588 6.162 ( -0.939 0.000 2.535) 2.704 6.271 ( -1.687 0.000 0.926) 1.924 6.882 ( -0.093 0.000 -0.223) 0.242 7.008 ( -3.920 0.000 -3.898) 5.528 7.201 ( -3.759 0.000 -0.278) 3.769 7.419 ( -2.157 0.000 1.334) 2.536 7.451 ( -3.384 0.000 0.074) 3.385 7.752 ( 6.488 0.000 5.176) 8.300 7.958 ( 5.356 0.000 -2.329) 5.840 8.027 ( 1.561 0.000 -2.018) 2.551 8.589 ( -3.995 0.000 0.592) 4.039 8.707 ( 0.467 0.000 6.521) 6.538 8.738 ( -1.024 0.000 -3.085) 3.251 8.843 ( 9.045 0.000 -4.156) 9.954 8.993 ( -9.285 0.000 -8.734) 12.747 9.273 ( 4.264 0.000 -5.197) 6.722 9.857 ( 4.702 0.000 5.499) 7.235 9.907 ( -2.852 0.000 -17.660) 17.889 10.281 ( -1.672 0.000 -17.493) 17.573 10.295 ( 4.723 0.000 19.325) 19.893 10.408 ( -0.315 0.000 -10.235) 10.240 11.001 ( -18.848 0.000 -13.382) 23.116 11.404 ( -2.101 0.000 16.501) 16.635 11.770 ( -1.878 0.000 20.460) 20.546 12.165 ( -15.193 0.000 -5.061) 16.014 12.248 ( -18.903 0.000 -9.485) 21.149 12.290 ( 9.084 0.000 18.277) 20.410 12.715 ( 1.575 0.000 8.324) 8.472 12.938 ( 20.211 0.000 4.270) 20.657 13.231 ( 14.968 0.000 -2.737) 15.216 13.574 ( -10.511 0.000 -7.501) 12.913 13.750 ( -3.669 0.000 -5.451) 6.571 13.815 ( 5.427 0.000 -16.924) 17.772 14.318 ( 17.139 0.000 -2.308) 17.294 17.469 ( 1.707 0.000 -9.078) 9.237 17.472 ( 2.642 0.000 -3.699) 4.546 17.556 ( -2.183 0.000 4.812) 5.285 17.858 ( -1.841 0.000 -5.685) 5.975 17.993 ( 5.251 0.000 -0.257) 5.258 17.995 ( 7.045 0.000 0.225) 7.049 18.089 ( -1.747 0.000 7.592) 7.791 18.162 ( -5.143 0.000 1.528) 5.365 18.665 ( -3.596 0.000 8.359) 9.100 18.722 ( 5.883 0.000 8.389) 10.246 18.853 ( 4.256 0.000 4.414) 6.132 18.884 ( 2.037 0.000 13.345) 13.499 19.074 ( 0.091 0.000 -1.219) 1.223 19.148 ( -8.420 0.000 -10.612) 13.546 19.325 ( -5.287 0.000 1.515) 5.500 19.339 ( -8.932 0.000 -6.626) 11.121 19.445 ( -3.950 0.000 -10.066) 10.813 19.609 ( -4.667 0.000 4.502) 6.484 19.656 ( -2.705 0.000 -4.398) 5.163 19.853 ( 4.499 0.000 3.929) 5.974 19.913 ( -3.715 0.000 5.492) 6.631 20.073 ( -0.504 0.000 3.714) 3.748 20.157 ( 9.253 0.000 -4.586) 10.327 20.204 ( 0.523 0.000 0.966) 1.099 23.051 ( -0.734 0.000 2.257) 2.374 23.398 ( 1.665 0.000 2.066) 2.653 23.414 ( 0.212 0.000 0.730) 0.760 23.536 ( -1.043 0.000 -3.777) 3.919 23.893 ( -3.127 0.000 -0.966) 3.273 23.952 ( -0.312 0.000 -1.872) 1.898 24.205 ( 0.624 0.000 7.073) 7.100 24.241 ( 1.646 0.000 3.601) 3.960 24.464 ( 0.342 0.000 -1.576) 1.613 24.622 ( 4.257 0.000 -8.259) 9.292 24.876 ( -9.379 0.000 -3.731) 10.094 24.937 ( 0.843 0.000 1.232) 1.493 25.021 ( -0.229 0.000 9.918) 9.920 25.482 ( -9.053 0.000 -2.606) 9.421 25.487 ( 1.468 0.000 1.757) 2.289 25.824 ( 5.582 0.000 -7.210) 9.118 26.022 ( -4.956 0.000 4.020) 6.381 26.249 ( 0.983 0.000 -5.312) 5.403 26.423 ( -5.813 0.000 4.610) 7.419 26.494 ( 10.437 0.000 0.519) 10.450 26.522 ( 7.129 0.000 -9.224) 11.658 27.105 ( 2.542 0.000 15.042) 15.255 27.175 ( 0.032 0.000 -3.189) 3.189 27.775 ( 0.349 0.000 0.133) 0.373 34.118 ( -16.767 0.000 -5.340) 17.597 34.214 ( 0.244 0.000 4.421) 4.428 34.353 ( 1.897 0.000 1.744) 2.577 34.356 ( -10.818 0.000 -2.506) 11.104 34.641 ( -0.739 0.000 7.433) 7.470 34.751 ( 0.711 0.000 12.154) 12.175 35.182 ( 9.716 0.000 1.670) 9.858 35.386 ( 3.406 0.000 -6.574) 7.404 35.447 ( 23.530 0.000 7.276) 24.629 35.635 ( -3.943 0.000 -9.550) 10.332 35.938 ( 11.392 0.000 -8.481) 14.202 36.159 ( 6.422 0.000 -5.633) 8.543 38.089 ( -5.823 0.000 -4.191) 7.174 38.160 ( 9.762 0.000 6.658) 11.816 38.304 ( 8.018 0.000 8.974) 12.034 38.434 ( -3.899 0.000 9.670) 10.426 38.943 ( -3.858 0.000 -8.556) 9.386 39.063 ( -0.374 0.000 -4.905) 4.919 39.115 ( -2.288 0.000 -7.141) 7.498 39.368 ( -1.125 0.000 -3.284) 3.472 39.655 ( -3.288 0.000 3.078) 4.504 39.992 ( -8.848 0.000 -6.260) 10.838 40.146 ( -2.117 0.000 10.768) 10.974 40.444 ( -6.417 0.000 0.248) 6.421 77.090 ( 11.240 0.000 1.413) 11.328 77.245 ( -6.101 0.000 -15.094) 16.280 77.301 ( 14.510 0.000 12.136) 18.916 78.028 ( -8.706 0.000 -14.621) 17.017 78.499 ( -2.813 0.000 13.258) 13.553 78.589 ( -1.547 0.000 19.042) 19.105 79.876 ( -9.543 0.000 -21.705) 23.710 80.233 ( -4.901 0.000 13.917) 14.755 80.463 ( 8.995 0.000 23.081) 24.772 80.479 ( -28.429 0.000 -10.488) 30.302 81.628 ( 13.980 0.000 -4.714) 14.753 81.862 ( -3.982 0.000 -8.684) 9.553 82.253 ( -18.679 0.000 -7.645) 20.182 82.795 ( -16.494 0.000 -4.646) 17.135 82.863 ( 16.641 0.000 -17.313) 24.014 82.975 ( 24.156 0.000 12.422) 27.163 83.364 ( -2.217 0.000 0.570) 2.289 83.432 ( -10.337 0.000 14.013) 17.413 83.932 ( -1.592 0.000 4.198) 4.490 83.985 ( -1.198 0.000 16.056) 16.101 86.188 ( -10.021 0.000 -3.470) 10.604 88.100 ( -21.030 0.000 -51.228) 55.377 88.616 ( 22.607 0.000 18.839) 29.427 89.605 ( 7.790 0.000 -6.102) 9.895 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -30.002 0.000 -27.356) 40.601 1.055 ( -25.260 0.000 5.345) 25.819 1.612 ( -25.850 0.000 10.000) 27.717 1.879 ( -9.821 0.000 -16.526) 19.224 1.935 ( -10.514 0.000 -0.370) 10.520 2.290 ( -14.757 0.000 -2.094) 14.905 2.397 ( -7.931 0.000 -0.175) 7.933 2.590 ( 8.188 0.000 -14.343) 16.515 2.851 ( -1.430 0.000 0.767) 1.622 3.071 ( 8.947 0.000 -8.358) 12.243 3.127 ( 11.114 0.000 5.303) 12.315 3.353 ( 10.445 0.000 -6.587) 12.348 3.481 ( 1.863 0.000 -0.102) 1.866 3.578 ( 7.790 0.000 -2.501) 8.182 4.005 ( -14.703 0.000 -0.596) 14.715 4.024 ( 4.585 0.000 0.394) 4.602 4.233 ( 1.218 0.000 -5.724) 5.852 4.387 ( -2.072 0.000 11.853) 12.033 4.895 ( 12.547 0.000 2.804) 12.857 5.528 ( -0.215 0.000 16.081) 16.082 5.584 ( 9.219 0.000 3.816) 9.977 5.658 ( 1.928 0.000 -5.667) 5.986 5.771 ( -3.603 0.000 1.640) 3.959 5.850 ( -4.353 0.000 5.786) 7.240 5.991 ( 12.644 0.000 7.661) 14.784 6.020 ( -0.386 0.000 -1.343) 1.397 6.158 ( 0.053 0.000 2.322) 2.323 6.242 ( 0.415 0.000 -2.070) 2.112 6.878 ( -0.354 0.000 0.050) 0.358 6.920 ( -3.809 0.000 -4.300) 5.745 7.132 ( -3.172 0.000 -0.421) 3.199 7.373 ( -2.356 0.000 3.531) 4.245 7.385 ( -2.775 0.000 0.921) 2.924 7.855 ( 2.294 0.000 -0.386) 2.326 8.072 ( 4.033 0.000 -2.025) 4.513 8.123 ( 9.637 0.000 4.081) 10.466 8.524 ( -2.792 0.000 0.230) 2.801 8.668 ( -3.490 0.000 -11.144) 11.678 8.740 ( -0.018 0.000 10.593) 10.593 8.794 ( -7.676 0.000 2.038) 7.942 9.018 ( 9.744 0.000 -3.249) 10.271 9.369 ( 7.729 0.000 -8.161) 11.240 9.722 ( -10.212 0.000 -12.549) 16.179 9.990 ( 5.902 0.000 8.053) 9.985 10.214 ( 0.695 0.000 -16.178) 16.193 10.319 ( -6.845 0.000 -7.950) 10.490 10.476 ( 6.370 0.000 18.937) 19.980 10.638 ( -9.968 0.000 -12.349) 15.870 11.439 ( 0.857 0.000 10.701) 10.735 11.676 ( -25.600 0.000 -13.069) 28.743 11.788 ( -3.415 0.000 21.560) 21.829 12.004 ( -6.818 0.000 -2.790) 7.367 12.549 ( 8.453 0.000 16.796) 18.803 12.724 ( -0.505 0.000 4.728) 4.755 13.300 ( -8.654 0.000 -8.293) 11.986 13.390 ( 19.845 0.000 10.033) 22.237 13.592 ( 15.760 0.000 -0.733) 15.777 13.655 ( -2.828 0.000 -11.474) 11.817 13.822 ( 2.025 0.000 -22.157) 22.249 14.602 ( 11.722 0.000 -1.546) 11.823 17.439 ( -2.906 0.000 1.488) 3.265 17.536 ( 3.177 0.000 0.054) 3.178 17.620 ( 7.933 0.000 -4.113) 8.936 17.803 ( 0.713 0.000 -8.318) 8.348 18.013 ( -2.889 0.000 2.075) 3.557 18.074 ( -1.159 0.000 -2.195) 2.482 18.149 ( 6.729 0.000 5.056) 8.417 18.211 ( 8.818 0.000 3.831) 9.614 18.631 ( -3.115 0.000 9.561) 10.055 18.853 ( 2.215 0.000 8.820) 9.094 18.869 ( -6.514 0.000 -1.532) 6.692 18.956 ( 2.063 0.000 8.306) 8.559 18.970 ( -4.960 0.000 -5.217) 7.198 19.073 ( -2.214 0.000 2.613) 3.425 19.149 ( -5.784 0.000 -6.020) 8.349 19.203 ( -4.393 0.000 -0.760) 4.458 19.275 ( -8.787 0.000 -5.650) 10.447 19.541 ( -3.935 0.000 5.111) 6.450 19.617 ( -1.312 0.000 -2.567) 2.883 19.842 ( -4.650 0.000 2.371) 5.219 19.936 ( 2.679 0.000 0.914) 2.831 20.056 ( -1.584 0.000 5.894) 6.103 20.197 ( -1.101 0.000 -0.593) 1.251 20.311 ( 7.191 0.000 -7.756) 10.577 23.046 ( -0.523 0.000 1.897) 1.968 23.435 ( 0.151 0.000 2.419) 2.424 23.439 ( 1.768 0.000 1.321) 2.207 23.489 ( -1.029 0.000 -3.140) 3.304 23.815 ( -4.276 0.000 -1.547) 4.547 23.961 ( 1.551 0.000 -2.331) 2.800 24.237 ( 0.414 0.000 5.602) 5.617 24.274 ( 0.434 0.000 2.897) 2.930 24.466 ( 1.061 0.000 -2.166) 2.412 24.661 ( 1.758 0.000 -6.359) 6.597 24.683 ( -7.419 0.000 -4.482) 8.667 24.987 ( 3.636 0.000 -1.735) 4.029 25.066 ( 1.297 0.000 10.223) 10.305 25.269 ( -10.838 0.000 0.890) 10.874 25.507 ( -0.535 0.000 4.131) 4.165 25.861 ( -9.705 0.000 2.129) 9.936 25.931 ( 6.265 0.000 -7.005) 9.398 26.274 ( 2.530 0.000 -3.679) 4.465 26.335 ( -4.048 0.000 2.215) 4.614 26.693 ( 8.859 0.000 2.351) 9.166 26.718 ( 14.256 0.000 -10.295) 17.584 27.154 ( -1.267 0.000 -0.778) 1.487 27.206 ( 2.301 0.000 12.164) 12.380 27.749 ( -3.045 0.000 -0.372) 3.068 33.818 ( -11.692 0.000 -2.740) 12.009 34.172 ( -7.008 0.000 -1.039) 7.085 34.227 ( -1.833 0.000 4.571) 4.925 34.345 ( -1.073 0.000 2.688) 2.894 34.645 ( -1.612 0.000 5.421) 5.656 34.808 ( -0.452 0.000 11.640) 11.649 35.327 ( 5.573 0.000 -3.211) 6.432 35.503 ( 9.036 0.000 -5.154) 10.403 35.591 ( 4.063 0.000 -8.780) 9.675 35.855 ( 12.115 0.000 -0.129) 12.116 36.172 ( 17.439 0.000 -6.723) 18.690 36.383 ( 15.906 0.000 2.818) 16.154 37.948 ( -5.914 0.000 -5.804) 8.286 38.366 ( -6.078 0.000 5.745) 8.364 38.399 ( 11.526 0.000 7.102) 13.539 38.538 ( 11.873 0.000 10.016) 15.534 38.820 ( -5.030 0.000 -6.316) 8.074 39.039 ( -0.202 0.000 -6.057) 6.060 39.066 ( -0.832 0.000 -3.567) 3.663 39.318 ( -2.854 0.000 -2.549) 3.826 39.572 ( -6.094 0.000 4.461) 7.552 39.743 ( -13.133 0.000 -7.486) 15.117 40.104 ( -5.208 0.000 7.261) 8.935 40.258 ( -11.960 0.000 -0.637) 11.977 77.107 ( -3.199 0.000 -9.334) 9.867 77.395 ( 18.715 0.000 3.346) 19.011 77.687 ( -16.920 0.000 -29.670) 34.155 77.732 ( 23.808 0.000 16.836) 29.159 78.498 ( -3.250 0.000 16.437) 16.755 78.717 ( 7.483 0.000 23.884) 25.029 79.554 ( -16.673 0.000 -19.756) 25.851 79.780 ( -36.559 0.000 -10.350) 37.996 80.119 ( -10.748 0.000 12.653) 16.602 80.646 ( 1.290 0.000 17.788) 17.835 81.679 ( -16.754 0.000 -8.467) 18.772 81.784 ( -2.396 0.000 -27.042) 27.148 82.028 ( 9.256 0.000 22.103) 23.963 82.544 ( -7.662 0.000 -0.697) 7.693 82.776 ( -9.593 0.000 -35.077) 36.365 83.217 ( -10.978 0.000 -4.801) 11.982 83.471 ( 7.578 0.000 4.371) 8.748 83.613 ( 20.582 0.000 42.882) 47.566 83.900 ( 7.664 0.000 -8.459) 11.414 83.993 ( -1.372 0.000 5.917) 6.074 86.201 ( 3.309 0.000 27.502) 27.700 87.431 ( -26.183 0.000 -60.652) 66.063 89.043 ( 14.884 0.000 11.402) 18.749 89.737 ( 8.090 0.000 -10.045) 12.898 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -1.773 0.000 24.895) 24.958 0.608 ( -21.515 0.000 10.846) 24.094 1.042 ( -32.863 0.000 19.124) 38.022 1.759 ( 1.605 0.000 2.545) 3.009 1.823 ( -2.288 0.000 4.252) 4.829 2.028 ( -10.305 0.000 -4.845) 11.387 2.227 ( -8.052 0.000 1.169) 8.136 2.677 ( 5.279 0.000 -16.259) 17.095 2.819 ( -1.696 0.000 1.060) 2.000 3.215 ( 6.436 0.000 -11.186) 12.905 3.313 ( 5.622 0.000 2.139) 6.015 3.468 ( 0.966 0.000 -2.063) 2.278 3.495 ( -0.690 0.000 1.878) 2.001 3.662 ( -11.092 0.000 -0.622) 11.110 3.723 ( 3.663 0.000 -0.282) 3.674 4.083 ( 0.520 0.000 -5.787) 5.810 4.283 ( 6.404 0.000 1.363) 6.547 4.412 ( -0.371 0.000 2.600) 2.627 5.111 ( 7.641 0.000 4.285) 8.761 5.517 ( -4.540 0.000 6.119) 7.619 5.605 ( -6.475 0.000 3.181) 7.214 5.689 ( 1.496 0.000 0.838) 1.715 5.746 ( 1.932 0.000 0.202) 1.942 5.851 ( 1.592 0.000 -4.057) 4.358 6.004 ( -1.087 0.000 1.492) 1.846 6.123 ( 0.399 0.000 4.495) 4.512 6.172 ( -0.091 0.000 -1.614) 1.617 6.384 ( 13.534 0.000 -5.763) 14.710 6.812 ( -5.811 0.000 -4.623) 7.426 6.869 ( -0.469 0.000 0.171) 0.499 7.075 ( -2.359 0.000 0.524) 2.416 7.364 ( -0.424 0.000 3.751) 3.775 7.380 ( 1.160 0.000 6.504) 6.606 7.811 ( -5.989 0.000 -8.402) 10.318 8.172 ( 5.830 0.000 -0.447) 5.847 8.227 ( -2.597 0.000 -5.680) 6.246 8.492 ( 0.124 0.000 0.129) 0.179 8.594 ( 0.508 0.000 -2.097) 2.158 8.687 ( -2.780 0.000 0.431) 2.814 8.946 ( 18.118 0.000 29.712) 34.800 9.186 ( 7.285 0.000 -1.295) 7.400 9.464 ( -9.775 0.000 -7.112) 12.089 9.513 ( 9.346 0.000 -5.603) 10.896 10.098 ( -9.361 0.000 1.103) 9.426 10.102 ( 1.663 0.000 2.136) 2.707 10.204 ( 2.750 0.000 -22.248) 22.417 10.513 ( -0.625 0.000 -12.700) 12.715 10.638 ( -2.714 0.000 10.852) 11.186 11.158 ( -16.858 0.000 -11.778) 20.565 11.515 ( 3.363 0.000 7.790) 8.485 11.800 ( -3.237 0.000 21.315) 21.559 11.931 ( -0.547 0.000 -0.256) 0.604 12.642 ( -2.653 0.000 3.814) 4.646 12.770 ( 0.436 0.000 12.179) 12.186 13.126 ( -4.762 0.000 -5.716) 7.439 13.552 ( -1.024 0.000 -14.328) 14.365 13.662 ( -5.639 0.000 -19.594) 20.389 13.781 ( 13.877 0.000 13.661) 19.474 13.988 ( 21.507 0.000 4.376) 21.948 14.758 ( 4.748 0.000 -1.403) 4.951 17.380 ( -3.388 0.000 1.575) 3.736 17.551 ( -1.236 0.000 0.931) 1.548 17.798 ( 8.426 0.000 0.770) 8.461 17.853 ( 4.801 0.000 -3.383) 5.873 17.986 ( 2.761 0.000 -1.428) 3.109 18.077 ( 3.959 0.000 -5.172) 6.513 18.319 ( 7.778 0.000 3.657) 8.595 18.360 ( 3.720 0.000 0.210) 3.725 18.612 ( -2.157 0.000 7.319) 7.630 18.697 ( -7.154 0.000 -3.229) 7.849 18.749 ( -12.384 0.000 0.327) 12.388 18.823 ( -6.236 0.000 3.793) 7.299 18.957 ( -8.528 0.000 1.678) 8.691 19.082 ( 4.363 0.000 1.818) 4.727 19.118 ( 1.882 0.000 -4.109) 4.519 19.161 ( -0.995 0.000 5.379) 5.470 19.193 ( 2.021 0.000 4.597) 5.022 19.488 ( -3.634 0.000 6.313) 7.284 19.561 ( -3.329 0.000 -1.707) 3.741 19.765 ( -3.046 0.000 -0.019) 3.047 19.918 ( -4.585 0.000 -8.404) 9.573 20.092 ( 2.998 0.000 3.209) 4.391 20.168 ( -1.160 0.000 -1.352) 1.782 20.354 ( -0.311 0.000 -6.919) 6.926 23.047 ( -0.064 0.000 2.148) 2.149 23.394 ( -2.496 0.000 -2.534) 3.557 23.483 ( 1.663 0.000 2.407) 2.926 23.509 ( 1.487 0.000 2.429) 2.848 23.710 ( -5.632 0.000 -2.281) 6.076 23.984 ( 1.805 0.000 -3.532) 3.966 24.251 ( -0.979 0.000 2.604) 2.782 24.276 ( -1.242 0.000 2.236) 2.557 24.506 ( 3.967 0.000 -2.992) 4.968 24.545 ( -4.207 0.000 -1.844) 4.593 24.693 ( 3.429 0.000 -6.107) 7.004 24.984 ( -6.082 0.000 -2.413) 6.544 25.144 ( 2.511 0.000 5.814) 6.333 25.146 ( 1.111 0.000 0.416) 1.187 25.502 ( -1.365 0.000 6.531) 6.672 25.678 ( -9.012 0.000 2.501) 9.352 26.039 ( 6.935 0.000 -6.144) 9.265 26.225 ( -5.886 0.000 -4.513) 7.417 26.345 ( 2.982 0.000 1.236) 3.228 26.849 ( 5.602 0.000 3.469) 6.590 26.945 ( 10.441 0.000 -9.099) 13.849 27.140 ( 1.416 0.000 -0.272) 1.442 27.251 ( -2.676 0.000 3.066) 4.070 27.653 ( -6.342 0.000 -0.915) 6.408 33.652 ( -4.589 0.000 0.812) 4.661 34.074 ( -2.852 0.000 0.276) 2.866 34.169 ( -3.544 0.000 0.686) 3.610 34.377 ( 1.534 0.000 7.190) 7.352 34.599 ( -4.225 0.000 -0.201) 4.230 34.797 ( -3.446 0.000 7.074) 7.868 35.397 ( 3.346 0.000 -4.954) 5.978 35.665 ( 9.186 0.000 -1.636) 9.331 35.723 ( 8.328 0.000 0.421) 8.339 35.954 ( 3.119 0.000 -8.431) 8.990 36.499 ( 12.970 0.000 -4.604) 13.763 36.690 ( 11.344 0.000 0.798) 11.372 37.881 ( 2.503 0.000 1.668) 3.008 38.252 ( -5.594 0.000 2.921) 6.310 38.650 ( 10.886 0.000 5.364) 12.135 38.735 ( -2.014 0.000 1.074) 2.282 38.799 ( 8.552 0.000 7.201) 11.180 38.996 ( -2.135 0.000 -5.546) 5.942 39.055 ( 0.517 0.000 -0.627) 0.812 39.237 ( -4.062 0.000 -1.790) 4.439 39.461 ( -6.281 0.000 3.008) 6.965 39.484 ( -7.864 0.000 -6.973) 10.511 39.978 ( -10.283 0.000 -2.237) 10.523 40.002 ( -12.115 0.000 -2.182) 12.310 77.064 ( 0.831 0.000 -2.265) 2.412 77.233 ( -13.407 0.000 -14.732) 19.919 77.842 ( 24.409 0.000 4.866) 24.889 78.331 ( 28.150 0.000 17.773) 33.291 78.497 ( -2.755 0.000 16.761) 16.986 78.987 ( -33.382 0.000 -13.636) 36.060 79.099 ( -25.936 0.000 -12.330) 28.718 79.123 ( 27.161 0.000 34.447) 43.868 79.931 ( -11.487 0.000 9.822) 15.114 80.637 ( -6.864 0.000 5.813) 8.995 81.311 ( -11.731 0.000 -4.235) 12.472 81.649 ( -3.480 0.000 -22.310) 22.579 82.360 ( 12.312 0.000 18.418) 22.154 82.401 ( -13.112 0.000 -12.010) 17.781 82.499 ( -2.605 0.000 -39.061) 39.148 82.949 ( -10.358 0.000 -6.429) 12.191 83.249 ( -43.383 0.000 -41.134) 59.784 83.565 ( 0.639 0.000 -0.735) 0.974 83.993 ( 0.797 0.000 -4.713) 4.780 84.780 ( 38.574 0.000 38.662) 54.614 86.399 ( 2.115 0.000 42.568) 42.621 86.951 ( 20.151 0.000 13.591) 24.306 89.273 ( 4.919 0.000 5.911) 7.690 89.832 ( 5.417 0.000 -12.559) 13.677 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -1.096 19.693 11.156) 22.660 1.101 ( 11.351 25.221 22.386) 35.582 1.242 ( 11.237 22.206 31.577) 40.206 1.806 ( -0.377 -6.035 5.726) 8.327 1.873 ( 13.850 -5.783 17.223) 22.845 2.034 ( -1.849 10.970 -2.500) 11.402 2.262 ( -0.337 8.964 0.560) 8.988 2.715 ( 2.220 1.954 -13.944) 14.254 2.838 ( 1.670 1.274 -3.686) 4.242 2.998 ( -1.116 -8.261 -5.330) 9.894 3.230 ( -3.962 -5.153 0.395) 6.512 3.388 ( 0.442 -4.609 2.613) 5.317 3.566 ( 0.012 0.317 -6.709) 6.716 3.655 ( -3.538 12.271 -0.540) 12.782 3.765 ( 0.148 -0.959 -1.303) 1.624 4.032 ( -3.061 1.215 -11.206) 11.680 4.375 ( -2.977 -0.527 0.302) 3.038 4.530 ( 5.616 6.148 8.721) 12.057 5.137 ( -1.007 -9.766 5.993) 11.502 5.386 ( -8.576 -0.903 -0.964) 8.677 5.501 ( -2.033 2.539 3.349) 4.669 5.607 ( 1.275 -6.417 1.776) 6.779 5.781 ( -4.208 2.856 -5.981) 7.851 5.845 ( 0.696 -0.446 -4.316) 4.394 6.011 ( -1.518 -1.874 -1.384) 2.781 6.099 ( -1.233 -2.010 -5.279) 5.781 6.165 ( -0.348 3.291 -1.886) 3.809 6.536 ( 4.376 -3.560 -10.476) 11.898 6.762 ( -1.086 6.546 -0.196) 6.639 6.957 ( 1.878 2.867 0.404) 3.451 7.153 ( 0.782 5.959 -1.608) 6.221 7.301 ( -8.482 -1.313 1.915) 8.794 7.418 ( -2.171 3.825 1.858) 4.775 7.701 ( 1.645 -0.436 -1.241) 2.106 8.112 ( -2.014 -1.110 6.123) 6.541 8.181 ( 1.640 -4.112 1.253) 4.600 8.495 ( 0.133 -0.963 1.780) 2.028 8.581 ( -0.766 -4.345 -1.283) 4.595 8.655 ( 1.579 -0.618 4.140) 4.474 9.097 ( 0.644 -11.972 4.796) 12.913 9.286 ( 6.415 -6.968 -0.549) 9.487 9.420 ( 8.861 -15.113 6.357) 18.637 9.490 ( 1.840 -1.167 2.330) 3.190 9.829 ( -2.573 -1.982 -3.819) 5.014 9.999 ( -11.464 2.810 2.121) 11.992 10.264 ( 4.832 2.882 -20.016) 20.792 10.330 ( -1.836 9.802 -4.678) 11.015 10.589 ( -2.713 1.578 -16.242) 16.543 11.219 ( 5.866 4.590 7.791) 10.778 11.676 ( 3.029 4.287 7.372) 9.050 11.829 ( 3.750 -5.988 5.801) 9.141 11.871 ( -5.161 0.323 16.373) 17.171 12.580 ( -7.718 0.806 1.437) 7.892 12.667 ( -5.820 -3.604 -2.594) 7.321 13.159 ( 2.331 3.016 -1.506) 4.099 13.413 ( -0.909 -5.278 -6.804) 8.659 13.695 ( 4.045 6.878 -4.932) 9.380 14.121 ( 8.402 0.313 7.781) 11.456 14.365 ( 9.822 -2.277 1.721) 10.229 14.747 ( -1.492 -3.189 -2.129) 4.115 17.370 ( -1.329 2.969 0.993) 3.401 17.571 ( -0.026 3.044 0.939) 3.186 17.849 ( 0.990 -4.926 2.224) 5.494 17.870 ( -2.315 0.603 2.381) 3.376 18.083 ( 8.652 -1.950 -6.301) 10.879 18.217 ( 1.177 -4.454 -0.113) 4.608 18.294 ( -1.405 0.264 -2.850) 3.188 18.347 ( -2.686 -1.632 -5.663) 6.476 18.479 ( -0.040 -4.851 -2.258) 5.351 18.596 ( -2.686 -0.795 3.347) 4.365 18.643 ( -3.607 -0.349 4.395) 5.697 18.816 ( 0.294 4.885 -4.701) 6.786 18.913 ( 7.103 -1.097 7.870) 10.658 19.008 ( 2.027 -2.352 2.050) 3.721 19.166 ( -1.305 1.117 -1.324) 2.168 19.252 ( -0.943 -0.839 6.966) 7.080 19.355 ( 0.304 3.218 5.571) 6.441 19.492 ( -2.158 1.696 4.605) 5.361 19.521 ( -11.853 -0.645 -0.695) 11.890 19.608 ( 9.352 4.187 2.105) 10.461 19.863 ( -3.666 5.170 -6.281) 8.923 20.063 ( -5.783 0.087 -4.263) 7.184 20.136 ( -0.230 -0.941 -1.520) 1.803 20.269 ( 5.881 -6.599 0.605) 8.860 23.073 ( 0.362 1.818 2.516) 3.125 23.354 ( -0.177 -6.557 3.064) 7.240 23.607 ( -0.415 4.207 -1.501) 4.486 23.674 ( 7.420 7.084 -10.781) 14.882 23.771 ( -3.939 9.605 1.067) 10.436 24.094 ( 2.118 6.905 -10.928) 13.099 24.182 ( -3.499 -1.019 -1.171) 3.828 24.280 ( -1.293 1.647 0.988) 2.315 24.503 ( -1.597 0.748 -1.935) 2.619 24.571 ( 2.283 -0.433 -2.246) 3.232 24.683 ( 0.360 -1.714 -0.623) 1.859 24.816 ( -2.421 -3.193 -4.206) 5.810 25.160 ( -0.088 1.973 0.565) 2.054 25.216 ( 3.725 -0.450 -1.514) 4.046 25.370 ( -8.679 -3.028 6.755) 11.407 25.519 ( -6.787 -2.617 0.860) 7.325 26.104 ( -0.148 -0.743 -1.699) 1.861 26.138 ( 4.713 -1.741 -0.798) 5.088 26.481 ( 2.969 6.800 1.355) 7.543 26.888 ( -3.035 -3.904 -0.656) 4.988 26.975 ( 2.105 1.551 3.801) 4.614 27.109 ( -1.347 2.061 -0.274) 2.477 27.248 ( 2.578 0.414 -1.987) 3.281 27.490 ( -6.974 -2.126 -2.484) 7.703 33.670 ( 3.058 2.084 4.420) 5.765 33.957 ( 1.218 -5.710 1.853) 6.125 34.204 ( -1.791 4.503 -1.441) 5.056 34.441 ( -5.308 1.778 2.384) 6.084 34.484 ( 0.828 -1.255 -0.529) 1.594 34.717 ( -3.702 -2.908 5.619) 7.331 35.443 ( 2.427 1.750 -4.499) 5.403 35.741 ( 4.023 -6.406 -0.474) 7.579 35.921 ( 3.526 6.162 3.018) 7.714 36.058 ( 2.555 6.038 -5.101) 8.307 36.525 ( -3.978 -3.726 -8.159) 9.812 36.675 ( -7.042 -4.966 -5.846) 10.413 38.037 ( 8.559 -0.546 8.482) 12.062 38.196 ( 3.421 -3.519 8.168) 9.529 38.728 ( -11.501 1.487 -3.948) 12.250 38.759 ( -5.927 0.409 -1.829) 6.216 38.776 ( 2.225 1.171 2.677) 3.672 38.982 ( 3.968 -3.349 1.806) 5.497 39.150 ( 8.332 3.880 4.376) 10.179 39.339 ( 0.175 4.112 -5.215) 6.644 39.397 ( 1.091 0.550 -3.625) 3.825 39.471 ( 5.546 3.584 0.323) 6.612 39.649 ( -12.174 -1.419 -0.480) 12.266 39.818 ( -1.749 -2.048 -3.801) 4.658 77.146 ( 7.901 -0.236 5.818) 9.815 77.358 ( 18.985 -8.326 12.564) 24.241 78.163 ( -4.415 1.330 -3.545) 5.816 78.241 ( -22.795 2.623 -13.681) 26.715 78.566 ( -8.845 1.901 10.046) 13.519 78.746 ( 1.924 -2.018 4.115) 4.971 79.111 ( 24.406 3.001 10.797) 26.856 79.767 ( -14.633 -3.703 -1.328) 15.153 79.938 ( -33.971 3.247 -16.775) 38.026 80.408 ( 36.663 -1.280 8.614) 37.683 81.165 ( 9.826 -2.038 12.559) 16.076 81.397 ( 2.853 -2.001 17.163) 17.513 81.670 ( -6.125 7.699 -17.746) 20.291 82.180 ( 5.036 -9.863 -31.537) 33.424 82.417 ( -15.160 2.099 -8.347) 17.433 82.773 ( -6.356 2.180 -4.022) 7.831 83.168 ( 8.086 13.807 -6.517) 17.277 83.606 ( -1.580 4.344 -10.805) 11.752 84.028 ( -2.018 6.762 -9.925) 12.178 84.760 ( -11.373 -6.960 -8.943) 16.055 86.611 ( 0.003 4.051 48.205) 48.375 87.903 ( 66.186 -61.595 69.719) 114.172 89.318 ( -6.746 4.743 -1.568) 8.395 89.797 ( 0.179 -5.253 -12.199) 13.283 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 15.197 11.271 8.898) 20.908 1.258 ( 9.933 35.627 7.557) 37.750 1.757 ( 7.827 -4.517 5.205) 10.429 1.962 ( 16.810 1.295 25.836) 30.850 2.018 ( 9.885 5.986 3.013) 11.942 2.265 ( 10.415 4.934 14.155) 18.254 2.348 ( 9.013 2.442 10.462) 14.023 2.744 ( 5.818 1.489 -6.225) 8.649 2.881 ( 4.044 -0.465 -1.860) 4.475 3.009 ( 4.404 -4.162 -7.716) 9.810 3.119 ( -5.794 -4.214 -2.248) 7.509 3.406 ( -0.575 -3.363 0.906) 3.530 3.510 ( -3.649 3.700 -2.559) 5.792 3.632 ( 1.478 6.434 -8.013) 10.382 3.704 ( -4.482 0.694 -4.462) 6.362 3.889 ( -6.734 1.374 -16.085) 17.492 4.294 ( -4.525 1.093 2.051) 5.087 4.651 ( 3.003 5.236 10.707) 12.291 5.066 ( -10.311 -2.942 -0.422) 10.731 5.172 ( -9.333 -5.666 -3.734) 11.539 5.416 ( -7.818 0.878 0.731) 7.901 5.619 ( -6.093 -3.735 -3.773) 8.081 5.665 ( 2.673 -2.084 -0.044) 3.390 5.854 ( -0.441 0.158 -2.258) 2.306 5.991 ( 2.879 -2.576 -3.137) 4.976 6.091 ( 0.895 0.212 -0.368) 0.990 6.162 ( 0.829 4.043 -1.515) 4.397 6.455 ( -8.795 0.364 -4.583) 9.924 6.792 ( 3.376 2.846 -1.329) 4.611 7.001 ( 2.182 3.723 -0.184) 4.319 7.132 ( -1.608 1.711 -0.333) 2.372 7.218 ( 1.451 0.671 1.254) 2.032 7.424 ( 0.656 1.691 4.295) 4.662 7.713 ( -1.202 -3.065 -5.305) 6.244 8.093 ( -2.302 -2.469 4.957) 5.997 8.205 ( 0.039 0.130 4.146) 4.148 8.501 ( -0.810 -1.433 1.212) 2.044 8.560 ( -0.013 -0.520 2.798) 2.846 8.712 ( 2.285 0.407 1.850) 2.968 9.021 ( -4.611 -9.629 5.164) 11.860 9.387 ( -10.021 -3.308 3.213) 11.031 9.467 ( 7.459 -9.681 -10.263) 15.958 9.560 ( 4.788 -11.785 7.585) 14.810 9.849 ( 2.970 -7.302 -8.958) 11.933 9.976 ( 7.482 10.538 5.057) 13.878 10.219 ( 0.502 7.927 -20.125) 21.636 10.404 ( 4.242 7.593 -8.083) 11.874 10.554 ( 6.537 4.572 -8.149) 11.403 11.380 ( 8.998 -3.124 12.406) 15.641 11.767 ( 2.134 1.017 10.756) 11.013 11.834 ( -1.684 -3.602 8.925) 9.771 11.943 ( 3.925 3.916 10.479) 11.855 12.393 ( -9.915 4.708 1.617) 11.095 12.517 ( -6.569 -4.311 -9.308) 12.181 13.223 ( 2.703 -2.847 -3.905) 5.538 13.367 ( -1.913 -3.353 0.376) 3.879 13.712 ( -1.613 8.507 -5.975) 10.519 14.193 ( -2.736 -0.222 7.675) 8.151 14.417 ( -4.467 -4.806 -2.443) 7.002 14.634 ( -8.502 -2.755 -4.548) 10.028 17.371 ( 0.467 1.308 2.068) 2.492 17.575 ( -0.319 0.714 1.141) 1.383 17.823 ( -2.401 -5.097 0.719) 5.680 17.863 ( -0.758 1.886 1.073) 2.298 18.049 ( -5.385 -4.703 -3.366) 7.903 18.174 ( -5.287 2.198 -5.293) 7.798 18.225 ( -2.476 -1.393 -2.964) 4.106 18.359 ( 4.327 -2.995 -4.859) 7.163 18.486 ( -5.671 -2.697 8.694) 10.725 18.558 ( -1.443 -1.187 6.487) 6.750 18.701 ( 10.022 0.583 -0.179) 10.040 18.806 ( -1.963 5.680 -4.485) 7.499 19.010 ( 0.677 1.633 0.462) 1.827 19.134 ( -0.153 -0.253 2.386) 2.404 19.161 ( 12.423 -7.672 1.760) 14.707 19.322 ( 4.634 -0.628 4.289) 6.345 19.361 ( -2.595 3.797 2.329) 5.155 19.397 ( 0.560 0.977 1.100) 1.574 19.487 ( 0.844 0.174 7.944) 7.990 19.784 ( 3.132 -0.932 1.943) 3.802 19.805 ( 2.675 7.933 -1.702) 8.543 19.943 ( -4.634 -1.361 -4.026) 6.288 20.141 ( 1.038 0.419 -1.845) 2.158 20.360 ( 2.803 -5.176 -6.074) 8.458 23.089 ( 0.133 1.766 2.837) 3.344 23.350 ( -1.236 -5.169 2.511) 5.878 23.554 ( -2.694 8.986 -4.431) 10.375 23.687 ( -2.887 5.726 -0.445) 6.428 23.791 ( 4.721 3.537 -1.939) 6.209 24.073 ( -0.574 2.112 -6.317) 6.685 24.109 ( -2.267 1.220 -1.299) 2.883 24.242 ( -2.431 3.336 -0.640) 4.177 24.456 ( -0.492 -0.047 -2.100) 2.158 24.533 ( -3.811 -0.630 -1.262) 4.064 24.766 ( 7.085 0.037 3.472) 7.891 24.881 ( 9.094 -2.456 -5.145) 10.734 25.170 ( -3.315 1.873 2.542) 4.578 25.229 ( -3.782 -2.150 4.098) 5.977 25.259 ( 0.158 -1.408 2.703) 3.052 25.460 ( 2.915 -3.086 -4.014) 5.842 26.119 ( 0.286 -1.162 -5.222) 5.358 26.210 ( 2.434 -2.885 2.645) 4.610 26.542 ( 1.966 6.628 1.623) 7.102 26.803 ( -5.402 -2.710 -1.404) 6.204 26.979 ( -3.752 1.971 8.115) 9.155 27.065 ( -0.118 6.417 -5.350) 8.355 27.232 ( -6.801 -2.146 4.359) 8.358 27.448 ( 5.266 -3.145 -7.664) 9.816 33.820 ( 9.750 1.649 7.439) 12.374 34.031 ( 5.156 -3.722 2.294) 6.760 34.168 ( -0.785 2.812 -2.762) 4.019 34.324 ( -3.742 -0.643 -5.714) 6.861 34.526 ( 0.909 0.672 5.470) 5.586 34.663 ( -3.842 -2.575 5.824) 7.437 35.463 ( 0.655 3.664 -3.635) 5.203 35.754 ( -2.189 -5.040 -4.517) 7.113 35.923 ( -5.406 3.696 4.784) 8.110 36.061 ( -3.318 5.095 2.307) 6.503 36.301 ( -12.746 -2.848 -10.066) 16.489 36.408 ( -13.735 -5.533 -7.870) 16.769 38.194 ( 3.629 0.430 7.462) 8.309 38.320 ( 2.762 -2.895 10.968) 11.675 38.432 ( -13.273 1.442 -4.063) 13.955 38.488 ( -15.033 0.028 -6.958) 16.565 38.932 ( 9.560 0.724 4.440) 10.565 39.100 ( 4.473 -3.857 4.226) 7.262 39.299 ( -1.551 3.564 -2.227) 4.480 39.340 ( 2.189 5.637 1.238) 6.173 39.369 ( 5.610 4.056 -0.435) 6.937 39.528 ( 2.154 -3.803 -7.410) 8.602 39.695 ( 11.826 1.559 1.462) 12.017 39.925 ( 12.197 -2.678 -3.130) 12.874 77.338 ( 3.053 -4.097 7.361) 8.961 77.576 ( -9.302 -10.515 4.973) 14.894 77.690 ( -17.197 7.455 -8.542) 20.598 78.098 ( 9.438 -0.462 -1.459) 9.562 78.495 ( -8.420 -2.001 8.000) 11.786 78.699 ( -19.514 -12.256 15.726) 27.899 79.254 ( 11.264 -4.096 -3.675) 12.537 79.544 ( 2.244 -7.306 -5.006) 9.136 79.931 ( 16.869 14.748 8.189) 23.857 80.706 ( 4.872 2.948 -1.339) 5.850 81.390 ( -7.044 17.928 -11.069) 22.216 81.626 ( 17.574 -1.350 4.596) 18.215 82.052 ( 27.181 -6.387 0.206) 27.922 82.136 ( 7.073 0.488 -9.692) 12.008 82.250 ( 10.625 -0.861 -23.944) 26.210 82.753 ( 2.028 -5.490 0.777) 5.904 83.351 ( 10.241 10.638 2.119) 14.918 83.570 ( -0.690 4.840 1.569) 5.135 83.894 ( -6.749 7.172 -13.576) 16.771 84.474 ( -14.234 -2.727 -9.137) 17.132 86.787 ( 1.259 7.178 49.348) 49.883 88.846 ( 5.704 -54.307 28.339) 61.522 89.083 ( -9.459 -4.516 -3.745) 11.131 89.676 ( -8.307 -7.776 -12.782) 17.113 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 16.842 5.416 2.943) 17.934 1.529 ( 13.790 24.067 4.229) 28.058 1.881 ( 7.934 -10.074 -4.102) 13.463 2.101 ( 10.068 1.991 -8.563) 13.366 2.357 ( 0.172 2.883 2.712) 3.962 2.542 ( 6.645 3.405 -0.327) 7.474 2.626 ( 22.308 2.892 29.100) 36.781 2.814 ( -3.394 -2.006 0.164) 3.946 3.025 ( 7.883 -3.186 5.334) 10.038 3.057 ( 6.440 2.003 -5.568) 8.746 3.107 ( 3.502 -2.375 5.681) 7.084 3.362 ( -2.048 -1.076 -4.869) 5.390 3.403 ( -5.663 3.305 -5.239) 8.393 3.569 ( -5.432 -1.053 -3.247) 6.416 3.595 ( -2.922 4.305 -20.311) 20.967 3.662 ( -9.302 1.075 -16.921) 19.339 4.305 ( 4.347 4.473 10.922) 12.577 4.735 ( 0.511 6.958 10.653) 12.734 4.766 ( -12.441 4.916 -10.844) 17.220 4.940 ( -13.492 -7.605 -6.204) 16.684 5.267 ( -6.374 0.532 7.574) 9.913 5.587 ( 1.322 -6.375 1.432) 6.667 5.710 ( 2.051 -1.132 0.553) 2.407 5.828 ( -0.519 -1.169 -2.826) 3.102 6.057 ( -0.202 -0.823 4.380) 4.461 6.110 ( 0.766 1.584 -2.108) 2.746 6.167 ( -1.755 1.583 6.206) 6.641 6.258 ( -5.337 4.227 -3.095) 7.479 6.835 ( 1.491 0.031 -1.829) 2.360 7.040 ( 1.147 1.120 1.253) 2.034 7.161 ( 4.007 -3.352 0.938) 5.308 7.271 ( 2.972 -1.583 -0.031) 3.367 7.462 ( 1.313 0.649 4.026) 4.285 7.624 ( -5.164 -2.431 -4.429) 7.224 8.064 ( -1.373 -0.702 1.680) 2.280 8.197 ( -2.421 1.768 2.018) 3.614 8.498 ( 0.795 -0.546 -0.143) 0.975 8.596 ( 2.242 1.616 3.622) 4.556 8.746 ( 0.590 3.048 0.569) 3.157 8.974 ( -4.077 -6.264 2.542) 7.895 9.214 ( -4.734 -0.190 -1.817) 5.075 9.463 ( -2.875 -11.183 -14.360) 18.427 9.601 ( -2.173 -7.591 6.634) 10.313 9.866 ( 1.753 -12.174 2.908) 12.639 10.148 ( 2.268 5.911 -24.051) 24.870 10.336 ( 18.069 10.218 6.215) 21.669 10.388 ( 2.637 2.498 -14.312) 14.765 10.776 ( 14.019 12.183 6.670) 19.734 11.553 ( 0.730 -8.430 7.313) 11.184 11.786 ( -6.636 -9.309 7.772) 13.824 11.875 ( 4.181 0.203 9.181) 10.090 12.092 ( 8.456 8.022 9.208) 14.854 12.327 ( 3.548 3.788 2.217) 5.644 12.374 ( -2.136 1.549 -7.198) 7.666 13.125 ( -9.588 -6.354 -0.444) 11.511 13.418 ( 4.653 -5.276 -1.708) 7.239 13.577 ( -9.119 10.251 -5.628) 14.829 14.098 ( -7.859 -2.407 1.592) 8.372 14.237 ( -11.543 0.512 -2.485) 11.819 14.404 ( -11.819 -2.817 -7.033) 14.038 17.393 ( 0.893 0.364 1.897) 2.128 17.560 ( -1.581 -4.085 1.636) 4.676 17.729 ( -5.145 -2.724 -3.554) 6.821 17.886 ( 2.121 5.458 -0.882) 5.922 17.935 ( -6.370 -5.429 -2.420) 8.712 18.087 ( -1.961 -0.010 0.983) 2.193 18.163 ( -1.861 1.508 -1.970) 3.102 18.334 ( -3.141 0.246 -0.943) 3.289 18.468 ( -1.334 0.727 8.952) 9.080 18.573 ( 2.533 1.419 3.832) 4.808 18.754 ( -1.297 3.177 2.898) 4.492 18.920 ( 4.366 2.968 1.983) 5.639 19.012 ( 3.646 -1.943 -4.407) 6.041 19.154 ( 0.772 -3.008 1.614) 3.500 19.329 ( 5.532 4.246 -2.485) 7.403 19.375 ( 1.140 -3.610 -0.969) 3.907 19.437 ( 4.038 -5.998 3.046) 7.846 19.466 ( 8.730 0.138 3.341) 9.349 19.594 ( 6.425 2.230 6.499) 9.407 19.801 ( 0.550 0.846 0.184) 1.025 19.817 ( -3.772 -0.922 -1.797) 4.279 19.913 ( 2.598 1.499 -0.952) 3.147 20.148 ( -0.118 1.433 -1.229) 1.891 20.333 ( -2.661 -2.060 -5.704) 6.623 23.093 ( -0.848 1.216 2.928) 3.282 23.327 ( -1.758 -3.917 2.032) 4.750 23.503 ( -1.052 6.052 -2.827) 6.762 23.624 ( -3.061 3.611 -0.227) 4.739 23.885 ( 4.709 0.751 1.474) 4.991 24.017 ( -1.684 -1.767 -3.535) 4.296 24.129 ( 2.955 5.316 0.684) 6.121 24.191 ( -2.393 4.338 -1.102) 5.075 24.464 ( -2.224 -0.504 -1.537) 2.750 24.474 ( 2.830 -1.096 -5.128) 5.959 24.923 ( 6.034 0.384 2.745) 6.640 25.062 ( 3.104 -2.797 0.434) 4.201 25.086 ( 2.105 -0.585 2.296) 3.169 25.140 ( -4.568 -2.986 5.268) 7.585 25.351 ( 5.983 0.529 -1.913) 6.303 25.567 ( 8.549 -3.852 -6.059) 11.164 26.061 ( -3.335 -0.963 -4.960) 6.054 26.251 ( 0.499 -2.366 2.295) 3.334 26.517 ( -5.940 4.123 -2.620) 7.691 26.690 ( -4.780 -1.832 2.886) 5.877 26.930 ( -3.736 2.360 4.414) 6.246 26.996 ( -6.005 5.622 2.580) 8.621 27.166 ( 0.420 0.619 -0.142) 0.761 27.539 ( 5.515 -4.183 -5.432) 8.799 34.089 ( 11.735 0.593 6.362) 13.362 34.113 ( 4.438 1.175 -0.726) 4.648 34.222 ( 7.028 -1.098 0.817) 7.160 34.268 ( 0.648 -0.664 -4.143) 4.245 34.557 ( 0.323 -0.215 6.671) 6.682 34.616 ( -2.956 -2.406 6.589) 7.612 35.389 ( -9.311 6.540 -4.118) 12.100 35.583 ( -14.808 0.957 -7.410) 16.586 35.744 ( -9.800 -3.326 2.657) 10.684 35.912 ( -8.772 -4.752 -1.623) 10.108 36.083 ( -7.182 3.284 -1.269) 7.999 36.201 ( -5.100 -1.440 -6.523) 8.405 38.142 ( -10.773 0.326 -5.117) 11.931 38.204 ( -8.235 -1.023 -3.348) 8.949 38.262 ( -0.587 1.828 4.844) 5.211 38.421 ( 0.118 -1.918 11.992) 12.145 39.128 ( 6.044 -0.349 2.127) 6.417 39.135 ( 0.513 -0.408 1.125) 1.302 39.238 ( -2.968 3.021 -2.569) 4.953 39.343 ( 1.278 1.870 -1.285) 2.604 39.540 ( 6.156 -0.182 -12.146) 13.618 39.643 ( 12.085 -1.086 7.203) 14.110 39.944 ( 11.726 2.214 0.778) 11.958 40.179 ( 12.721 -2.538 -0.993) 13.009 77.142 ( -12.058 -1.906 -5.914) 13.565 77.240 ( -16.128 -4.936 -4.280) 17.401 77.770 ( 8.693 2.818 15.727) 18.189 78.090 ( -15.884 -4.631 -8.042) 18.397 78.382 ( 6.789 1.983 9.720) 12.021 78.639 ( -1.334 -2.618 24.862) 25.035 79.432 ( 2.606 -14.189 -10.818) 18.032 79.602 ( 7.652 -19.301 2.170) 20.876 80.366 ( 21.426 12.940 5.738) 25.680 80.948 ( 21.129 4.104 -0.077) 21.524 81.199 ( -5.651 27.307 -10.229) 29.703 81.821 ( 4.870 1.267 -24.220) 24.737 82.042 ( 5.985 -0.493 -17.287) 18.300 82.409 ( 8.117 2.487 -5.896) 10.336 82.694 ( 13.118 -13.371 14.553) 23.720 82.897 ( 14.989 -1.683 -1.716) 15.180 83.537 ( -0.642 7.333 5.757) 9.345 83.569 ( 3.490 4.190 3.975) 6.748 83.742 ( -1.326 7.351 1.769) 7.676 84.132 ( -16.568 -0.226 -9.645) 19.172 87.061 ( 10.170 8.874 44.620) 46.617 88.437 ( -31.117 3.747 -17.829) 36.058 89.124 ( -0.089 -35.873 15.072) 38.911 89.384 ( -15.557 -10.083 -15.938) 24.448 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 14.263 2.452 -2.466) 14.680 1.788 ( 11.127 12.611 -0.466) 16.824 2.024 ( 7.251 -11.897 -6.205) 15.252 2.274 ( -5.542 1.694 -3.690) 6.870 2.321 ( 12.556 -5.678 -6.517) 15.243 2.590 ( -1.594 7.529 -4.092) 8.716 2.734 ( -0.816 -2.429 -2.747) 3.757 2.950 ( -2.362 -3.481 4.113) 5.883 3.017 ( -8.898 0.893 -17.477) 19.632 3.066 ( -6.806 1.224 -10.620) 12.673 3.176 ( 7.095 5.670 -6.366) 11.091 3.378 ( 7.547 0.913 2.568) 8.024 3.401 ( -2.705 0.931 -4.290) 5.157 3.435 ( -5.097 2.500 -5.187) 7.690 3.464 ( -1.375 -0.252 -2.370) 2.752 3.557 ( 7.407 1.102 12.693) 14.737 4.352 ( -2.784 0.608 -10.278) 10.666 4.551 ( -11.162 1.692 -8.327) 14.028 4.736 ( 9.069 8.992 5.558) 13.928 4.902 ( 5.601 2.383 15.164) 16.340 5.215 ( -2.671 1.876 12.370) 12.794 5.575 ( -6.073 -0.405 5.471) 8.184 5.740 ( 0.138 -2.439 -0.828) 2.580 5.843 ( 2.313 -1.853 0.702) 3.046 5.915 ( -7.846 3.481 6.085) 10.521 6.137 ( 0.834 -0.636 1.245) 1.628 6.209 ( 2.422 -0.270 4.940) 5.508 6.231 ( -0.494 1.012 0.593) 1.273 6.852 ( 1.300 -1.505 -2.256) 3.007 7.029 ( -2.872 -5.355 1.216) 6.198 7.257 ( 3.519 -2.837 1.063) 4.644 7.337 ( 4.678 -5.534 -0.709) 7.281 7.489 ( -0.721 0.978 1.855) 2.217 7.514 ( -3.403 -1.352 0.655) 3.720 8.062 ( 0.910 3.355 -0.551) 3.519 8.124 ( -4.670 3.686 -2.564) 6.479 8.529 ( 2.390 -0.754 -1.054) 2.719 8.670 ( 3.790 1.669 2.721) 4.955 8.735 ( -1.626 1.930 -1.188) 2.789 8.861 ( -6.159 -0.633 1.363) 6.339 9.180 ( -0.082 -2.139 -1.730) 2.752 9.322 ( -4.844 -7.217 -14.714) 17.090 9.599 ( -0.009 -6.439 7.383) 9.796 9.929 ( 2.052 -12.057 9.256) 15.338 10.109 ( 2.564 5.588 -21.248) 22.120 10.350 ( 2.314 0.086 -18.124) 18.272 10.642 ( 5.733 9.652 1.170) 11.287 11.130 ( 16.469 8.298 11.959) 21.979 11.462 ( -6.980 -4.941 -6.576) 10.788 11.729 ( -2.907 -6.707 19.706) 21.019 11.983 ( 4.523 -1.589 8.859) 10.073 12.160 ( -3.294 -2.552 0.543) 4.202 12.435 ( 11.965 11.650 -0.431) 16.705 12.568 ( 10.784 2.698 4.764) 12.094 12.925 ( -9.873 -6.361 1.737) 11.872 13.281 ( -13.424 7.972 -6.568) 16.938 13.557 ( 7.170 -9.157 -2.003) 11.802 13.912 ( -10.646 -3.907 -11.063) 15.843 13.992 ( -9.840 2.643 0.734) 10.215 14.171 ( -8.399 0.423 -5.441) 10.016 17.415 ( 0.987 -1.289 -0.477) 1.693 17.512 ( -3.308 -4.697 -1.992) 6.080 17.664 ( -0.120 -2.288 -1.534) 2.757 17.780 ( -6.708 -2.071 -2.928) 7.607 17.907 ( -0.035 4.819 -0.215) 4.823 18.089 ( -0.415 -2.212 8.543) 8.835 18.136 ( -0.352 4.143 -5.895) 7.214 18.302 ( -0.417 2.637 2.851) 3.906 18.490 ( 1.169 -0.152 3.831) 4.008 18.660 ( 4.528 2.680 3.768) 6.471 18.752 ( -1.293 1.711 11.628) 11.824 18.859 ( -5.599 3.718 0.414) 6.734 19.114 ( 2.814 -0.238 -0.456) 2.861 19.185 ( 1.953 -5.925 -0.323) 6.246 19.368 ( -0.132 -4.338 -4.989) 6.613 19.454 ( 5.834 3.388 -0.319) 6.754 19.552 ( 7.573 -2.401 -0.116) 7.946 19.622 ( 4.972 -0.133 0.400) 4.990 19.705 ( -4.667 -1.436 -2.909) 5.684 19.759 ( 7.934 1.328 1.757) 8.233 19.824 ( 0.334 1.460 -0.833) 1.714 19.937 ( -0.358 0.041 0.755) 0.837 20.126 ( -1.860 0.284 1.063) 2.161 20.250 ( -3.471 0.548 -0.736) 3.591 23.081 ( -1.335 0.870 2.999) 3.396 23.301 ( -1.547 -4.422 1.956) 5.076 23.484 ( -0.296 3.486 -1.868) 3.966 23.577 ( -1.066 2.384 -2.279) 3.466 23.950 ( 0.898 0.402 -1.648) 1.919 24.027 ( 3.136 -2.097 4.372) 5.775 24.133 ( -2.394 4.928 -2.556) 6.045 24.204 ( 2.975 6.158 4.148) 7.998 24.437 ( 0.179 -0.332 -1.917) 1.953 24.513 ( 3.293 -1.116 -7.236) 8.028 24.948 ( -2.823 -2.501 5.931) 7.029 25.012 ( -6.075 -3.395 5.973) 9.171 25.117 ( 3.148 1.445 2.077) 4.039 25.292 ( 9.450 -2.380 -5.664) 11.271 25.445 ( 4.971 2.608 -1.616) 5.842 25.724 ( 8.765 -5.628 -5.795) 11.920 25.986 ( -2.542 -2.728 -2.607) 4.550 26.247 ( -1.161 -3.917 -1.835) 4.479 26.338 ( -7.406 4.079 -3.190) 9.037 26.623 ( -5.080 -0.519 6.690) 8.416 26.808 ( -7.444 6.262 -2.428) 10.026 26.958 ( -1.522 0.570 11.127) 11.245 27.198 ( 2.848 3.643 -2.981) 5.502 27.623 ( 4.458 -4.355 -2.102) 6.577 34.148 ( 4.136 0.870 -2.274) 4.800 34.231 ( -0.408 -0.672 -3.621) 3.706 34.421 ( 12.690 -1.143 6.747) 14.418 34.435 ( 9.159 -0.705 2.418) 9.499 34.608 ( 1.420 -1.004 8.770) 8.941 34.624 ( 4.947 -0.103 7.729) 9.178 35.061 ( -18.849 3.238 -4.687) 19.691 35.193 ( -19.142 -0.017 -3.690) 19.495 35.629 ( -5.943 0.486 2.308) 6.394 35.787 ( -1.764 -2.063 -6.909) 7.423 35.945 ( -7.283 2.063 -0.719) 7.604 36.107 ( -1.619 -1.716 -8.943) 9.249 37.983 ( -3.351 0.889 -1.347) 3.719 38.100 ( -1.633 -1.721 0.499) 2.425 38.263 ( -1.490 2.066 3.820) 4.591 38.443 ( -1.810 -1.997 10.919) 11.247 39.094 ( -1.612 1.033 -5.655) 5.970 39.171 ( -1.847 2.756 -2.517) 4.164 39.227 ( 0.600 -1.108 -0.492) 1.352 39.348 ( 0.788 -1.801 -4.152) 4.594 39.636 ( 6.525 2.913 -6.412) 9.601 39.888 ( 8.545 -3.096 8.536) 12.469 40.129 ( 6.515 3.221 0.103) 7.268 40.384 ( 7.723 -2.472 0.246) 8.112 76.963 ( -5.086 -2.092 -3.285) 6.405 77.003 ( -5.833 -4.030 -0.809) 7.136 77.748 ( -10.920 2.184 -13.384) 17.411 77.976 ( 3.811 -2.747 9.349) 10.463 78.512 ( 0.747 1.339 15.775) 15.849 78.671 ( -5.936 -1.393 23.111) 23.902 79.514 ( 10.864 -14.926 -2.800) 18.672 79.715 ( 3.914 -23.078 0.945) 23.426 80.681 ( 5.127 15.024 -8.347) 17.936 81.079 ( 6.447 19.655 -2.276) 20.810 81.582 ( 29.664 10.804 6.076) 32.150 81.743 ( 0.280 4.360 -23.189) 23.597 82.208 ( 16.561 -1.368 -17.970) 24.475 82.362 ( -7.312 3.092 -11.800) 14.222 82.863 ( 1.130 -8.196 -1.927) 8.495 83.128 ( 3.733 -7.950 12.558) 15.324 83.394 ( -6.207 5.403 -2.994) 8.757 83.655 ( -12.055 -2.803 -1.323) 12.447 83.777 ( 3.410 5.782 19.066) 20.213 83.963 ( 5.652 10.778 15.236) 19.500 87.487 ( 10.679 6.427 18.665) 22.444 87.680 ( -28.573 10.567 -13.440) 33.297 88.953 ( -18.591 -13.863 -28.308) 36.595 89.191 ( 1.775 -23.991 11.653) 26.730 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 2.716 1.005 -5.614) 6.317 1.834 ( -4.747 -1.597 -2.944) 5.809 2.098 ( 6.543 -1.713 -9.116) 11.351 2.255 ( 3.243 1.927 -6.818) 7.792 2.417 ( -11.477 3.975 -20.328) 23.680 2.501 ( 3.824 -8.599 -5.541) 10.921 2.631 ( -13.037 -1.348 -14.180) 19.309 2.686 ( -3.636 -1.069 -9.633) 10.352 2.870 ( -1.835 -1.906 -4.872) 5.544 2.911 ( -6.867 -1.976 -7.684) 10.493 3.195 ( -7.408 9.457 0.588) 12.027 3.260 ( -3.810 7.021 -2.032) 8.243 3.348 ( 3.754 1.169 -7.540) 8.504 3.413 ( 1.407 0.530 -5.392) 5.598 3.750 ( 14.205 0.143 12.385) 18.847 3.791 ( 8.565 -0.018 12.530) 15.177 4.311 ( 0.275 1.068 -10.336) 10.395 4.378 ( 2.395 2.472 -11.491) 11.996 4.938 ( 1.693 4.710 10.647) 11.765 5.118 ( 7.643 4.398 16.453) 18.667 5.289 ( 8.912 7.843 9.711) 15.338 5.416 ( -9.582 1.189 16.905) 19.469 5.721 ( -1.204 -3.604 -1.517) 4.091 5.836 ( 0.004 2.814 2.096) 3.509 5.934 ( 2.014 -0.834 3.792) 4.374 6.139 ( -1.053 -0.894 0.283) 1.410 6.194 ( -4.347 -0.876 4.640) 6.418 6.261 ( 0.957 -1.438 4.017) 4.373 6.872 ( 1.405 -1.456 -2.089) 2.909 6.953 ( -3.937 -8.324 -1.394) 9.313 7.264 ( -2.108 -2.717 -2.326) 4.152 7.429 ( 2.365 -4.569 1.965) 5.507 7.457 ( -0.466 0.489 1.063) 1.259 7.545 ( 4.346 -2.383 4.360) 6.602 8.009 ( -4.703 4.991 -5.394) 8.725 8.085 ( 1.222 4.413 -1.568) 4.840 8.572 ( 1.585 -2.235 -1.082) 2.946 8.677 ( -2.166 -1.822 0.198) 2.837 8.743 ( -0.003 0.455 -0.843) 0.958 8.802 ( 1.486 3.256 1.646) 3.940 9.139 ( -4.104 -2.680 -7.394) 8.871 9.218 ( -0.152 -3.091 -5.619) 6.415 9.644 ( 2.150 -6.561 4.842) 8.433 10.011 ( 2.534 -7.668 9.402) 12.394 10.101 ( 3.106 3.839 -14.125) 14.964 10.339 ( 3.634 -1.049 -21.448) 21.779 10.605 ( -5.772 8.992 -4.488) 11.590 11.281 ( -8.566 -4.837 -12.682) 16.050 11.402 ( 2.846 3.429 17.635) 18.189 11.713 ( -4.969 -2.704 19.546) 20.348 12.146 ( 0.129 1.163 14.285) 14.333 12.217 ( 13.799 -4.315 5.738) 15.555 12.565 ( -3.924 6.687 -3.275) 8.416 12.651 ( -1.671 6.532 -1.028) 6.821 12.763 ( -5.824 -6.797 -0.965) 9.003 13.119 ( 4.316 7.255 -2.644) 8.846 13.632 ( -11.870 -10.858 -7.939) 17.939 13.745 ( 10.586 -6.907 -5.834) 13.921 13.899 ( -0.235 5.672 -2.832) 6.344 14.064 ( 1.333 2.284 -5.027) 5.680 17.420 ( 0.017 -2.753 -4.383) 5.176 17.457 ( 0.177 -2.668 -4.438) 5.181 17.616 ( -4.736 -1.048 -0.097) 4.851 17.747 ( 3.503 -3.976 1.354) 5.469 17.904 ( 0.066 2.341 -0.677) 2.438 18.104 ( -0.061 7.295 -5.247) 8.986 18.113 ( -0.599 -0.182 7.878) 7.902 18.287 ( -2.998 2.968 3.203) 5.297 18.549 ( 3.487 -2.313 5.280) 6.737 18.727 ( -4.730 -2.133 3.599) 6.315 18.775 ( 4.833 5.014 1.301) 7.084 18.832 ( 1.634 4.027 15.826) 16.412 19.121 ( -0.770 1.129 -0.872) 1.622 19.192 ( -1.799 -6.958 -1.980) 7.455 19.332 ( -1.150 -3.235 -8.062) 8.762 19.512 ( 0.543 1.066 -2.663) 2.919 19.569 ( -5.473 1.043 -5.133) 7.576 19.657 ( -1.507 0.137 0.772) 1.699 19.709 ( 2.973 -1.186 0.431) 3.230 19.787 ( -1.480 1.023 -2.398) 2.997 19.910 ( 2.381 -0.327 -0.483) 2.452 19.954 ( 6.592 0.210 2.351) 7.002 20.091 ( -2.097 -0.351 3.499) 4.094 20.225 ( 0.329 1.657 2.851) 3.314 23.067 ( -1.026 0.841 2.806) 3.104 23.286 ( -0.626 -5.109 1.999) 5.521 23.474 ( 0.053 2.772 -1.153) 3.003 23.563 ( 0.480 1.204 -4.102) 4.302 23.945 ( -0.531 1.310 -0.419) 1.474 24.078 ( -2.184 6.221 -2.137) 6.931 24.114 ( 2.915 -2.146 6.319) 7.283 24.266 ( 1.443 5.482 4.687) 7.356 24.448 ( 1.196 -0.549 -2.039) 2.427 24.556 ( 3.831 -0.821 -7.282) 8.270 24.916 ( -2.731 -3.359 5.204) 6.769 24.943 ( -2.637 -3.453 7.486) 8.655 25.101 ( -4.647 3.209 -3.406) 6.595 25.388 ( 2.796 -2.934 -2.524) 4.775 25.570 ( 6.198 2.543 -3.795) 7.700 25.784 ( -1.899 -5.585 -3.255) 6.738 25.969 ( 1.779 -1.448 -1.050) 2.523 26.190 ( 1.532 -7.299 -6.773) 10.075 26.339 ( 5.653 5.051 0.953) 7.641 26.523 ( -7.281 -0.063 6.345) 9.658 26.662 ( -5.842 6.767 -3.248) 9.512 26.978 ( -0.236 -2.519 8.252) 8.631 27.249 ( 2.720 6.015 -0.021) 6.602 27.696 ( 3.086 -4.057 0.169) 5.100 34.211 ( -0.383 0.315 1.175) 1.275 34.254 ( 5.991 0.119 -0.523) 6.015 34.455 ( -9.928 -1.911 -3.044) 10.559 34.502 ( -4.425 -3.278 -0.268) 5.513 34.675 ( -5.481 2.046 5.054) 7.731 34.716 ( -3.312 1.845 6.966) 7.931 34.957 ( 11.551 -0.063 7.058) 13.537 35.017 ( 13.039 -0.799 4.845) 13.933 35.491 ( -6.649 3.802 -2.856) 8.174 35.749 ( -5.056 -2.098 -3.772) 6.648 35.832 ( 2.441 2.388 -9.366) 9.969 36.079 ( 2.019 -2.900 -9.452) 10.091 38.002 ( 4.489 0.943 3.736) 5.916 38.128 ( 2.762 -2.086 4.299) 5.519 38.229 ( -2.569 2.539 1.736) 4.007 38.434 ( -2.836 -2.275 9.833) 10.484 39.035 ( -2.012 1.116 -7.427) 7.775 39.129 ( -1.331 2.684 -3.308) 4.463 39.186 ( -2.352 -0.844 -7.308) 7.724 39.352 ( 0.644 -2.630 -3.494) 4.421 39.712 ( 1.775 3.689 -0.319) 4.107 40.014 ( 1.237 -4.510 4.564) 6.535 40.197 ( 0.212 4.230 2.433) 4.885 40.471 ( 0.785 -2.489 0.730) 2.710 76.920 ( 2.177 -2.547 -0.698) 3.423 77.000 ( 3.879 -5.308 3.002) 7.227 77.516 ( -7.007 5.256 -14.288) 16.759 78.028 ( -1.076 -7.297 0.437) 7.389 78.526 ( -4.337 -0.436 13.640) 14.320 78.598 ( -6.402 -0.432 15.322) 16.611 79.789 ( 7.379 -14.600 6.748) 17.696 79.805 ( 9.183 -17.977 11.397) 23.182 80.555 ( -8.925 15.599 -11.796) 21.497 81.301 ( 9.124 23.382 0.032) 25.099 81.494 ( -9.823 1.119 -24.334) 26.266 82.024 ( -4.539 5.394 -3.141) 7.718 82.379 ( 22.300 6.573 8.810) 24.862 82.544 ( 20.550 -0.110 -11.838) 23.716 82.723 ( -5.131 -0.918 -24.806) 25.348 83.060 ( -16.645 -15.018 2.666) 22.577 83.291 ( -3.641 3.134 7.992) 9.324 83.491 ( -1.400 -2.301 13.161) 13.433 83.956 ( 4.302 6.747 20.266) 21.788 84.140 ( 2.644 13.638 20.553) 24.808 86.782 ( -33.856 9.345 -32.821) 48.070 88.055 ( 16.630 -1.761 16.986) 23.836 88.471 ( -14.447 -11.882 -28.012) 33.683 89.309 ( 7.263 -16.114 2.694) 17.879 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -19.053 0.365 -12.185) 22.619 1.810 ( -22.840 10.333 -15.604) 29.528 1.896 ( -4.821 1.711 -6.924) 8.608 2.134 ( -10.066 -3.563 -26.373) 28.453 2.186 ( -5.674 -5.106 -9.570) 12.241 2.453 ( -2.767 5.569 1.441) 6.383 2.515 ( -3.961 -4.923 -0.107) 6.320 2.679 ( 0.701 -3.704 -0.658) 3.827 2.752 ( 1.408 -3.215 -6.543) 7.425 2.872 ( 0.833 -1.173 -4.084) 4.329 3.044 ( -3.114 6.939 -4.336) 8.755 3.291 ( 5.955 7.747 -1.306) 9.858 3.414 ( 3.991 -0.193 -3.976) 5.636 3.456 ( 4.604 -0.329 -3.671) 5.897 3.948 ( 5.245 1.181 5.281) 7.536 4.021 ( 8.770 -0.868 3.563) 9.506 4.283 ( 1.755 4.198 -6.483) 7.920 4.500 ( 5.620 0.650 -4.705) 7.358 4.815 ( -10.506 9.033 12.282) 18.515 5.342 ( 10.147 1.228 12.934) 16.485 5.417 ( 1.949 -1.198 15.802) 15.967 5.571 ( 10.711 3.974 5.165) 12.538 5.693 ( -0.611 -4.959 2.082) 5.412 5.868 ( 0.670 3.385 1.440) 3.739 5.960 ( 0.449 1.377 8.231) 8.357 6.069 ( -4.611 -0.673 -0.375) 4.675 6.146 ( -1.543 -1.726 2.814) 3.644 6.276 ( -0.382 0.159 1.172) 1.243 6.865 ( -1.889 -1.643 -1.499) 2.918 6.912 ( 1.122 -5.225 -2.990) 6.124 7.205 ( -2.268 -0.778 -1.730) 2.957 7.430 ( -2.227 -2.083 -0.446) 3.082 7.452 ( -1.206 2.267 3.645) 4.459 7.695 ( 7.935 -6.626 4.418) 11.242 7.935 ( -0.432 2.992 -3.134) 4.354 8.099 ( 1.201 2.940 -2.354) 3.953 8.563 ( -1.557 -1.454 0.458) 2.179 8.666 ( -1.195 -3.615 -2.982) 4.836 8.698 ( -1.396 -1.209 1.223) 2.216 8.868 ( 1.560 -0.675 1.399) 2.202 9.007 ( -4.414 1.296 -7.810) 9.064 9.232 ( 2.385 -4.178 -5.831) 7.560 9.732 ( 5.329 -3.387 5.042) 8.080 10.035 ( -1.672 4.417 -9.076) 10.231 10.143 ( 2.295 -5.623 2.841) 6.705 10.348 ( 6.039 -0.326 -18.560) 19.521 10.490 ( -3.495 6.636 -1.708) 7.692 10.969 ( -16.409 -3.343 -14.710) 22.289 11.436 ( -3.238 2.554 18.454) 18.909 11.723 ( -3.068 -4.336 20.311) 20.994 12.110 ( -16.495 -3.440 -0.667) 16.863 12.203 ( -11.432 2.015 -1.293) 11.680 12.459 ( 2.790 7.347 6.486) 10.190 12.683 ( 0.126 -0.775 6.389) 6.437 12.861 ( 19.044 -5.458 2.776) 20.004 13.358 ( 14.859 8.315 -3.290) 17.342 13.408 ( -7.500 -10.910 -7.746) 15.339 13.784 ( 0.075 2.622 -12.652) 12.921 13.922 ( 2.047 6.272 -5.225) 8.416 14.261 ( 15.985 -4.732 -1.677) 16.755 17.412 ( 1.264 -2.575 -3.669) 4.657 17.486 ( 4.076 -2.834 -5.045) 7.078 17.547 ( -2.078 1.436 1.481) 2.928 17.839 ( 4.787 -7.424 -0.769) 8.867 17.903 ( 0.162 3.498 -1.220) 3.708 18.081 ( -1.235 4.989 -3.606) 6.278 18.130 ( -0.431 1.954 7.415) 7.680 18.260 ( 1.038 6.027 3.597) 7.095 18.610 ( -3.278 -3.223 8.861) 9.983 18.695 ( 3.294 -3.048 6.756) 8.110 18.839 ( 0.537 -0.269 -1.246) 1.384 18.945 ( 3.145 3.689 13.705) 14.537 19.088 ( -5.203 -0.082 -7.064) 8.774 19.123 ( 0.085 0.557 1.545) 1.645 19.246 ( -4.928 -3.325 -7.935) 9.915 19.427 ( -6.844 1.071 -6.116) 9.241 19.448 ( -5.085 0.730 -6.374) 8.187 19.593 ( -5.692 -1.109 3.455) 6.750 19.651 ( -2.809 0.338 -0.427) 2.861 19.829 ( 1.450 -2.276 3.552) 4.461 19.922 ( -0.949 1.335 6.261) 6.471 20.059 ( -0.818 -2.199 3.028) 3.831 20.131 ( 7.193 1.522 -3.863) 8.306 20.257 ( 2.101 1.631 0.199) 2.667 23.061 ( -0.561 1.033 2.309) 2.591 23.291 ( 0.427 -5.522 1.989) 5.884 23.486 ( 1.412 2.731 -0.674) 3.148 23.552 ( 0.038 1.083 -4.409) 4.540 23.932 ( -0.995 3.787 1.085) 4.063 24.036 ( -1.032 6.548 -2.562) 7.107 24.181 ( 1.738 -1.691 5.997) 6.469 24.293 ( -0.114 3.806 3.754) 5.347 24.454 ( 0.060 -1.016 -1.626) 1.919 24.608 ( 3.589 -1.139 -6.569) 7.572 24.882 ( -7.553 -0.318 0.381) 7.569 24.910 ( 1.306 -2.220 1.647) 3.057 25.015 ( -1.157 0.659 5.260) 5.426 25.368 ( -4.911 -5.866 -2.378) 8.011 25.554 ( -3.964 1.598 1.265) 4.457 25.810 ( 5.095 -2.508 -7.014) 9.024 25.947 ( -3.203 -2.216 1.191) 4.073 26.293 ( 7.021 -3.245 -5.455) 9.465 26.405 ( -4.889 3.657 3.699) 7.139 26.502 ( 8.969 1.721 1.530) 9.260 26.587 ( 1.457 3.930 -5.024) 6.543 27.001 ( -0.064 -5.896 5.352) 7.963 27.300 ( 1.591 7.537 4.064) 8.710 27.736 ( 0.600 -3.552 0.665) 3.663 34.124 ( -15.193 0.731 -4.884) 15.975 34.229 ( -0.946 1.161 3.579) 3.880 34.309 ( -10.593 -2.894 -2.919) 11.362 34.357 ( 2.288 -0.689 1.850) 3.022 34.638 ( -1.679 -0.055 7.965) 8.140 34.729 ( 1.290 -1.752 11.655) 11.857 35.245 ( 12.931 5.252 2.637) 14.204 35.394 ( 3.034 1.131 -5.819) 6.659 35.462 ( 19.031 0.739 5.332) 19.777 35.624 ( -0.847 -1.264 -7.595) 7.745 35.937 ( 9.298 0.232 -9.203) 13.084 36.125 ( 6.497 -2.925 -5.654) 9.096 38.109 ( -5.158 1.792 -2.877) 6.172 38.164 ( 9.332 0.430 6.446) 11.350 38.294 ( 7.456 -0.835 8.363) 11.235 38.400 ( -4.070 -2.961 8.070) 9.511 38.955 ( -3.544 1.232 -7.980) 8.818 39.082 ( -2.220 -0.016 -4.639) 5.143 39.125 ( -0.273 2.278 -7.584) 7.924 39.342 ( -0.411 -2.119 -3.289) 3.934 39.697 ( -3.632 3.446 2.940) 5.806 39.957 ( -7.218 -2.990 -2.533) 8.213 40.174 ( -4.065 2.485 7.210) 8.642 40.417 ( -6.369 -2.437 0.536) 6.841 77.042 ( 9.600 -3.849 0.820) 10.375 77.115 ( 4.208 -6.856 -2.888) 8.547 77.421 ( 3.768 6.463 -0.796) 7.523 77.919 ( -7.339 -8.508 -12.573) 16.862 78.496 ( -2.643 0.035 13.274) 13.534 78.563 ( -2.598 -1.566 15.702) 15.992 79.844 ( -0.271 -4.593 -5.028) 6.815 80.012 ( -0.699 -14.946 19.576) 24.640 80.333 ( -11.138 10.385 1.838) 15.339 81.074 ( -16.787 24.359 -8.809) 30.866 81.487 ( 7.296 -10.187 -19.137) 22.875 81.901 ( -5.166 4.021 3.103) 7.244 82.303 ( -18.429 2.648 -11.786) 22.035 82.652 ( -16.400 -9.362 -7.572) 20.346 82.931 ( 19.377 2.734 -9.871) 21.918 83.046 ( 19.843 3.785 7.100) 21.413 83.251 ( -1.480 1.262 16.337) 16.452 83.544 ( 0.463 -0.456 6.739) 6.770 84.063 ( -0.166 10.915 9.114) 14.221 84.171 ( -4.400 16.276 14.955) 22.537 86.212 ( -13.190 3.157 -9.691) 16.670 87.743 ( -24.732 -29.051 -44.992) 58.990 88.702 ( 20.988 6.711 14.224) 26.227 89.482 ( 10.021 -10.566 -3.578) 14.996 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -21.767 7.609 -22.283) 32.066 1.243 ( -23.822 11.183 -6.712) 27.158 1.729 ( -16.005 9.003 8.070) 20.059 1.797 ( -11.603 -7.237 -17.356) 22.096 1.989 ( -11.039 3.577 0.913) 11.640 2.343 ( -9.508 4.698 0.439) 10.614 2.407 ( -5.770 1.289 0.300) 5.919 2.666 ( 4.905 5.792 -12.384) 14.524 2.864 ( -0.571 -1.122 -1.654) 2.078 2.909 ( 8.433 -12.227 -2.711) 15.099 3.084 ( 7.729 0.529 -5.158) 9.307 3.433 ( 7.257 2.183 -1.322) 7.693 3.452 ( 1.021 -0.763 -1.681) 2.110 3.567 ( 7.310 -0.893 -1.507) 7.517 4.026 ( -3.306 2.020 -0.180) 3.878 4.079 ( -0.300 3.196 -2.828) 4.278 4.310 ( 2.504 6.768 -5.252) 8.925 4.419 ( -6.130 3.797 13.296) 15.125 4.895 ( 10.077 0.162 3.032) 10.524 5.514 ( 1.415 -0.831 14.043) 14.138 5.535 ( 3.511 -3.245 -1.970) 5.171 5.632 ( -0.265 -4.311 -0.116) 4.321 5.725 ( -2.595 -3.801 15.399) 16.072 5.854 ( 1.936 3.600 -1.033) 4.216 6.016 ( -0.048 -1.061 -1.879) 2.158 6.091 ( 4.899 2.143 -0.748) 5.400 6.153 ( 2.403 2.530 6.395) 7.285 6.275 ( 2.366 2.614 -2.188) 4.149 6.826 ( -1.177 -0.657 -2.380) 2.735 6.929 ( 0.939 -1.025 -1.557) 2.087 7.170 ( -0.976 1.632 -0.707) 2.029 7.376 ( -2.626 -1.142 0.793) 2.971 7.428 ( -1.618 4.757 3.681) 6.229 7.843 ( 3.881 -4.111 0.693) 5.696 7.977 ( 5.329 -3.641 1.820) 6.706 8.125 ( 2.014 -0.412 -0.696) 2.170 8.537 ( -1.361 1.392 1.391) 2.393 8.584 ( -3.012 -5.196 -9.350) 11.113 8.713 ( -0.027 -2.219 9.753) 10.002 8.786 ( -6.553 -0.796 0.643) 6.632 9.021 ( 5.747 -0.645 -3.856) 6.951 9.248 ( 1.758 -9.301 -8.008) 12.398 9.849 ( -1.301 8.301 -7.953) 11.570 9.890 ( -5.026 -3.623 5.172) 8.071 10.169 ( 2.608 -3.086 -10.862) 11.589 10.427 ( 1.907 4.901 -8.495) 9.991 10.505 ( 7.404 1.386 7.547) 10.663 10.617 ( -12.610 -1.558 -12.359) 17.725 11.429 ( -6.746 -2.337 11.331) 13.393 11.647 ( -15.367 -1.188 -5.282) 16.293 11.743 ( -6.201 -1.594 15.446) 16.721 11.995 ( -7.786 -0.422 0.882) 7.847 12.608 ( 3.922 2.187 9.091) 10.139 12.725 ( 1.898 1.726 9.504) 9.844 13.235 ( -3.088 -4.953 -7.545) 9.539 13.284 ( 16.709 -9.485 5.714) 20.045 13.584 ( 6.940 6.215 -7.066) 11.693 13.751 ( 1.657 2.093 -13.756) 14.013 13.964 ( 6.458 11.004 -7.035) 14.570 14.544 ( 12.186 -5.091 -1.351) 13.275 17.428 ( 0.068 -0.561 0.480) 0.742 17.532 ( 1.140 -1.593 3.279) 3.820 17.605 ( 8.642 0.262 -6.687) 10.930 17.882 ( 0.271 6.296 -6.119) 8.784 17.921 ( 2.396 -8.251 0.917) 8.641 18.053 ( -0.213 2.339 0.594) 2.422 18.168 ( 2.498 2.326 5.164) 6.190 18.349 ( 5.123 5.618 2.402) 7.974 18.573 ( -1.914 -2.943 8.987) 9.648 18.756 ( -3.546 -5.810 0.016) 6.806 18.847 ( 2.197 -2.870 3.975) 5.373 18.926 ( -7.200 -1.033 -5.454) 9.091 18.984 ( -3.427 0.432 3.781) 5.121 19.090 ( -7.299 1.547 4.259) 8.591 19.172 ( 0.593 2.122 -5.613) 6.030 19.258 ( -6.041 1.831 -3.584) 7.259 19.334 ( -2.685 3.318 -1.828) 4.643 19.523 ( -2.589 -1.526 4.206) 5.170 19.598 ( -3.626 -0.140 2.011) 4.148 19.817 ( -3.249 -2.043 1.131) 4.001 19.944 ( 1.034 0.561 4.261) 4.420 20.044 ( -1.504 -1.140 4.493) 4.873 20.191 ( 0.348 0.521 -3.034) 3.098 20.310 ( 3.136 -0.642 -5.744) 6.576 23.059 ( -0.374 1.328 1.888) 2.338 23.315 ( 1.046 -6.191 2.246) 6.668 23.506 ( 0.970 3.547 -1.640) 4.027 23.559 ( 2.482 2.980 -3.206) 5.032 23.906 ( -2.027 7.170 0.611) 7.476 24.027 ( 1.105 5.584 -3.225) 6.542 24.226 ( 0.775 -1.023 5.030) 5.191 24.297 ( -0.456 1.825 2.173) 2.874 24.454 ( 1.191 -0.952 -2.050) 2.554 24.630 ( -0.113 -2.734 -3.947) 4.803 24.718 ( -6.129 3.053 -4.802) 8.364 24.969 ( 3.743 -1.638 -1.320) 4.294 25.051 ( 1.172 -1.031 8.310) 8.456 25.215 ( -8.255 -4.526 1.211) 9.492 25.508 ( -2.005 0.361 3.136) 3.739 25.779 ( -6.637 -6.164 0.889) 9.102 25.956 ( 4.622 2.623 -5.409) 7.583 26.293 ( -3.446 -3.694 0.308) 5.061 26.388 ( 1.307 8.505 -2.547) 8.974 26.696 ( 10.112 0.680 0.957) 10.180 26.720 ( 11.595 -0.160 -6.188) 13.144 27.010 ( -0.752 -7.846 3.934) 8.809 27.331 ( -0.519 6.695 5.607) 8.748 27.718 ( -2.669 -2.956 0.152) 3.985 33.836 ( -11.386 1.723 -2.735) 11.836 34.095 ( -8.250 -5.040 -1.472) 9.779 34.258 ( -0.093 1.927 4.826) 5.198 34.377 ( -0.131 1.499 2.524) 2.939 34.633 ( -2.205 -0.322 6.186) 6.575 34.788 ( -0.750 -1.846 11.133) 11.310 35.358 ( 2.899 2.169 -5.461) 6.552 35.543 ( 3.617 -3.461 -8.185) 9.594 35.557 ( 11.996 5.363 -3.434) 13.582 35.939 ( 12.634 6.537 -0.049) 14.225 36.110 ( 16.577 -5.570 -6.256) 18.573 36.348 ( 15.585 -3.195 2.443) 16.095 37.975 ( -6.036 2.563 -4.880) 8.174 38.302 ( -4.795 -4.908 3.181) 7.563 38.413 ( 9.895 0.876 7.759) 12.605 38.522 ( 11.673 -1.380 9.481) 15.101 38.846 ( -4.349 2.261 -5.290) 7.212 39.025 ( -2.062 -1.539 -3.011) 3.960 39.110 ( 0.797 3.820 -6.803) 7.843 39.316 ( -0.751 -0.516 -3.287) 3.411 39.603 ( -6.708 2.550 3.963) 8.198 39.737 ( -12.615 -0.614 -5.749) 13.877 40.090 ( -7.092 -0.627 6.653) 9.744 40.235 ( -11.768 -2.145 -0.245) 11.964 77.089 ( -1.656 -1.479 -8.144) 8.441 77.233 ( 5.482 -9.885 -4.041) 12.004 77.684 ( 10.880 0.854 3.082) 11.340 77.783 ( 10.914 1.185 -3.297) 11.463 78.498 ( -2.178 0.241 14.786) 14.948 78.638 ( 3.572 -4.429 19.394) 20.212 79.637 ( -16.562 3.624 -13.357) 21.583 79.966 ( -13.156 13.547 5.357) 19.630 80.039 ( -14.939 -4.117 8.750) 17.796 80.865 ( -5.150 17.495 4.088) 18.690 81.497 ( -0.382 -22.784 -21.765) 31.511 81.756 ( -15.817 0.024 1.853) 15.925 81.943 ( -8.530 1.747 1.237) 8.794 82.344 ( -8.902 -12.171 -13.092) 19.969 82.961 ( -9.617 8.425 -5.908) 14.085 83.197 ( 4.342 -0.976 -9.715) 10.686 83.421 ( -7.152 0.553 4.189) 8.307 83.748 ( 20.043 -1.568 8.010) 21.641 83.967 ( -5.368 14.783 -5.070) 16.524 84.283 ( 12.515 19.466 22.417) 32.219 86.168 ( 2.648 -2.643 22.452) 22.761 87.041 ( -27.795 -29.492 -43.779) 59.657 89.105 ( 14.808 5.127 8.670) 17.909 89.657 ( 9.377 -6.916 -7.962) 14.113 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 1.260 13.861 17.308) 22.209 0.859 ( -14.686 17.631 3.605) 23.228 1.387 ( -19.104 26.030 12.791) 34.729 1.655 ( 1.461 -9.047 2.756) 9.569 1.835 ( -4.876 -0.220 3.388) 5.941 2.155 ( -8.265 10.033 -1.989) 13.150 2.308 ( -4.003 6.112 0.448) 7.319 2.715 ( 3.986 3.224 -15.398) 16.229 2.840 ( -0.844 0.556 -1.034) 1.445 3.019 ( 3.096 -14.256 -4.611) 15.299 3.217 ( 5.410 -3.642 -2.562) 7.007 3.418 ( -3.268 -4.635 1.989) 6.010 3.552 ( 4.146 1.441 -4.493) 6.281 3.703 ( 5.926 -0.971 -0.558) 6.031 3.797 ( -11.785 10.410 1.405) 15.787 4.097 ( 0.012 1.097 -6.459) 6.552 4.380 ( 5.299 7.263 1.785) 9.166 4.412 ( -0.471 0.976 5.352) 5.460 5.075 ( 5.658 -4.389 4.709) 8.570 5.499 ( -3.649 -3.639 1.575) 5.389 5.523 ( -3.622 -2.648 5.032) 6.742 5.612 ( -1.195 -5.388 4.533) 7.142 5.782 ( 2.849 2.596 -0.781) 3.933 5.883 ( 0.046 2.598 -2.812) 3.828 6.011 ( 0.256 -1.447 -0.128) 1.475 6.131 ( 0.780 -3.811 -1.643) 4.223 6.180 ( -0.603 4.403 -0.393) 4.462 6.413 ( 9.826 1.946 -6.492) 11.936 6.796 ( -1.272 2.735 -2.020) 3.631 6.936 ( 0.373 1.591 -0.276) 1.657 7.154 ( -0.526 4.257 -0.401) 4.308 7.351 ( -0.869 -1.246 3.946) 4.228 7.441 ( 0.998 5.424 4.074) 6.857 7.798 ( -6.627 -1.575 -6.823) 9.641 8.107 ( 4.629 -5.878 1.950) 7.732 8.143 ( -1.030 -3.699 2.244) 4.448 8.510 ( -1.611 0.667 -1.645) 2.397 8.543 ( 2.633 -4.152 -2.457) 5.496 8.674 ( -3.989 -0.351 3.851) 5.556 8.873 ( 11.945 -3.955 15.184) 19.720 9.134 ( 5.919 -3.615 0.354) 6.945 9.268 ( 3.813 -12.943 -4.711) 14.292 9.613 ( -10.809 3.434 -4.260) 12.115 9.891 ( -3.119 -3.382 2.482) 5.227 10.180 ( 2.316 -0.505 -15.697) 15.875 10.371 ( -9.596 -2.408 -9.845) 13.957 10.410 ( -3.108 6.294 -0.536) 7.039 10.688 ( 4.053 0.154 -4.328) 5.932 11.133 ( -9.059 1.753 -0.651) 9.250 11.591 ( 2.749 5.737 6.573) 9.147 11.751 ( 0.591 -6.851 10.783) 12.789 11.912 ( -3.771 -0.520 9.519) 10.252 12.651 ( -0.978 -0.348 4.137) 4.265 12.754 ( -3.212 -1.996 5.849) 6.965 13.161 ( -1.312 3.008 -2.466) 4.105 13.470 ( 0.224 -6.304 -8.682) 10.732 13.670 ( 0.976 2.306 -10.496) 10.791 13.818 ( 15.489 1.684 3.348) 15.936 14.141 ( 10.957 11.362 0.181) 15.786 14.713 ( 5.453 -4.014 -1.655) 6.970 17.408 ( -2.187 2.517 1.398) 3.616 17.566 ( 0.578 1.009 1.586) 1.966 17.769 ( 7.826 -2.371 -1.474) 8.309 17.878 ( 1.155 0.181 0.454) 1.254 17.961 ( 2.492 -0.759 -4.380) 5.096 18.106 ( 6.689 3.064 -2.368) 7.729 18.252 ( 3.404 -2.496 3.782) 5.668 18.405 ( -0.190 -2.578 1.017) 2.778 18.609 ( -5.903 0.378 -7.943) 9.904 18.627 ( -1.620 0.262 6.018) 6.238 18.746 ( -5.101 -1.830 1.931) 5.753 18.823 ( -6.795 -1.005 0.026) 6.869 18.925 ( -3.356 -3.540 -1.937) 5.248 18.983 ( -3.776 1.042 3.488) 5.245 19.158 ( 3.383 -2.850 6.864) 8.166 19.210 ( -1.281 2.838 -0.102) 3.116 19.369 ( 3.309 11.379 0.680) 11.870 19.469 ( -4.025 -0.973 7.190) 8.297 19.549 ( -1.472 -1.217 1.212) 2.262 19.723 ( -6.671 -1.660 -1.681) 7.077 19.944 ( -1.834 1.168 -3.772) 4.354 20.077 ( 3.428 -1.650 4.691) 6.040 20.162 ( -1.673 -0.163 -2.526) 3.034 20.282 ( -4.069 -3.993 -5.490) 7.915 23.061 ( -0.075 1.532 2.029) 2.544 23.340 ( 0.480 -6.786 2.692) 7.316 23.550 ( 4.802 5.750 -2.694) 7.961 23.602 ( 2.774 4.506 -3.879) 6.561 23.852 ( -3.466 9.181 -1.007) 9.865 24.057 ( 3.658 6.159 -6.277) 9.524 24.235 ( -1.461 -0.765 1.428) 2.181 24.294 ( -0.681 1.200 1.811) 2.277 24.498 ( 4.033 -0.551 -2.739) 4.906 24.555 ( -4.020 -0.075 -0.928) 4.126 24.673 ( 1.749 -0.630 -5.411) 5.722 24.942 ( -6.434 -3.592 -2.818) 7.889 25.125 ( 4.630 -1.007 0.781) 4.802 25.151 ( 0.704 -0.344 4.517) 4.584 25.474 ( -3.929 -1.445 6.281) 7.548 25.641 ( -6.865 -3.308 2.230) 7.941 26.037 ( 5.366 0.259 -4.300) 6.882 26.201 ( -5.765 -2.485 -2.346) 6.702 26.423 ( 2.676 7.014 -0.452) 7.521 26.866 ( 6.120 1.382 2.849) 6.890 26.914 ( 6.855 -3.438 -7.627) 10.816 27.022 ( 3.310 -5.918 2.943) 7.392 27.303 ( -4.268 4.263 3.022) 6.747 27.632 ( -5.874 -2.474 -0.764) 6.419 33.674 ( -4.457 2.095 0.741) 4.980 33.976 ( -3.574 -6.077 0.275) 7.056 34.244 ( -2.125 4.231 1.299) 4.909 34.410 ( 1.826 2.273 5.612) 6.324 34.579 ( -4.929 -1.329 0.995) 5.201 34.768 ( -3.674 -2.664 6.756) 8.139 35.403 ( 3.360 1.040 -5.088) 6.185 35.629 ( 6.776 -4.189 -2.826) 8.452 35.777 ( 10.035 6.233 -0.779) 11.838 36.027 ( 3.196 5.097 -8.513) 10.424 36.459 ( 13.148 -3.137 -2.201) 13.695 36.644 ( 10.679 -4.047 0.868) 11.453 37.899 ( 1.030 1.825 1.214) 2.422 38.194 ( -4.853 -4.788 2.225) 7.172 38.651 ( 9.695 0.419 5.658) 11.233 38.756 ( 2.847 0.414 2.500) 3.811 38.799 ( 4.887 0.990 4.442) 6.678 38.979 ( -1.784 -2.081 -1.362) 3.061 39.083 ( -1.514 3.955 -4.434) 6.132 39.308 ( 2.024 2.656 -4.475) 5.584 39.478 ( -9.278 -0.005 -5.227) 10.649 39.485 ( -5.573 2.006 2.219) 6.325 39.927 ( -11.746 -2.929 1.235) 12.169 39.983 ( -12.152 -1.777 -1.708) 12.400 77.061 ( 0.965 -0.215 -2.347) 2.547 77.155 ( -2.678 -4.094 -3.961) 6.294 77.958 ( 19.853 6.064 -1.659) 20.824 78.256 ( 19.293 -4.511 10.931) 22.628 78.571 ( 8.669 2.916 16.146) 18.557 78.760 ( -3.772 -7.385 14.837) 16.997 79.178 ( -25.434 10.298 -15.048) 31.295 79.641 ( 1.653 19.861 5.862) 20.774 79.951 ( -5.326 3.986 10.586) 12.503 80.701 ( -16.462 5.214 -7.492) 18.823 81.246 ( -12.946 -11.072 -6.545) 18.249 81.512 ( -9.263 -14.162 -6.137) 18.001 81.858 ( -7.619 -9.421 9.383) 15.324 82.214 ( 0.950 -13.158 -21.834) 25.510 82.723 ( -13.146 6.295 -3.437) 14.975 83.128 ( -1.633 8.954 -17.618) 19.830 83.151 ( -19.574 -1.291 -14.940) 24.658 83.728 ( -4.552 3.951 -25.328) 26.036 84.035 ( 3.523 6.502 -0.638) 7.423 84.809 ( 16.136 -1.768 16.154) 22.900 86.369 ( 8.345 -1.990 42.898) 43.747 86.671 ( 9.391 -14.359 29.476) 34.106 89.327 ( 5.100 4.500 3.799) 7.790 89.776 ( 5.831 -4.961 -10.829) 13.262 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -3.057 18.214 5.345) 19.227 1.342 ( 16.242 4.824 23.611) 29.061 1.575 ( 3.588 -7.392 17.366) 19.212 1.687 ( 17.680 -10.335 25.001) 32.318 2.011 ( 0.074 30.937 0.260) 30.938 2.284 ( -2.823 8.176 -0.487) 8.663 2.429 ( -0.821 4.550 1.218) 4.782 2.645 ( 1.018 -16.336 -2.812) 16.607 2.794 ( 2.674 1.973 -13.926) 14.317 2.865 ( 1.824 -3.641 -9.519) 10.354 3.188 ( -1.943 1.776 1.034) 2.828 3.275 ( 0.742 -5.230 2.467) 5.830 3.608 ( -0.341 3.610 -3.524) 5.057 3.695 ( -1.097 -3.653 -0.838) 3.906 3.930 ( -1.219 9.694 -7.577) 12.364 4.044 ( -1.970 -1.164 -12.124) 12.338 4.404 ( -3.634 4.773 8.220) 10.176 4.577 ( -0.027 -6.515 11.966) 13.625 5.013 ( -0.149 5.148 3.584) 6.274 5.258 ( -1.260 -12.395 1.571) 12.558 5.538 ( -6.497 3.017 -1.939) 7.421 5.587 ( 0.288 1.003 1.979) 2.238 5.820 ( -5.929 2.098 -3.922) 7.412 5.885 ( 1.471 3.278 -5.578) 6.635 5.928 ( -2.585 -4.025 -0.511) 4.811 6.003 ( -0.088 -5.409 -2.253) 5.860 6.293 ( 1.185 7.321 -7.534) 10.571 6.442 ( 2.236 -5.702 -10.312) 11.993 6.908 ( 0.464 5.612 0.359) 5.643 6.979 ( 1.623 -0.885 1.113) 2.158 7.236 ( -0.269 2.242 2.520) 3.384 7.273 ( -4.142 -1.358 3.312) 5.474 7.539 ( -3.549 6.661 -1.896) 7.782 7.663 ( -1.898 -3.760 -2.289) 4.793 8.053 ( 0.006 -1.968 1.798) 2.666 8.093 ( 3.299 -4.715 2.955) 6.469 8.510 ( -1.182 3.832 1.492) 4.279 8.538 ( -0.676 0.396 3.197) 3.291 8.625 ( 1.074 0.710 3.444) 3.676 8.832 ( 2.043 -15.050 2.240) 15.353 9.154 ( 5.305 -0.686 3.270) 6.269 9.209 ( 7.054 -4.795 7.012) 11.042 9.574 ( -2.200 6.335 -1.755) 6.932 9.724 ( -2.929 -6.757 -2.932) 7.927 10.123 ( -1.299 6.867 -2.241) 7.339 10.256 ( 6.611 -4.297 -10.255) 12.936 10.480 ( -2.887 5.268 -11.107) 12.627 10.567 ( -3.544 -2.544 -14.487) 15.130 11.381 ( 5.129 9.822 7.552) 13.409 11.615 ( 3.390 -11.017 6.161) 13.070 11.787 ( 1.438 5.022 9.032) 10.434 11.873 ( -0.945 -2.144 15.378) 15.556 12.568 ( -6.030 0.841 0.369) 6.100 12.619 ( -4.832 -2.618 -0.257) 5.502 13.219 ( -0.851 3.056 -3.656) 4.840 13.303 ( -1.453 -4.638 -5.156) 7.085 13.858 ( 5.339 7.630 -0.834) 9.350 14.011 ( 7.184 -6.620 3.049) 10.234 14.492 ( 2.011 8.343 0.452) 8.594 14.650 ( -0.252 -5.926 -1.577) 6.137 17.479 ( -1.555 6.739 0.196) 6.919 17.624 ( -0.123 -3.054 1.005) 3.217 17.726 ( -0.851 0.431 0.907) 1.316 17.840 ( 0.497 -5.506 2.385) 6.021 18.070 ( -0.111 2.276 -1.456) 2.704 18.143 ( 1.091 -2.486 -1.188) 2.963 18.278 ( 1.093 0.986 -5.222) 5.425 18.357 ( 3.630 -4.647 -0.115) 5.898 18.438 ( -6.463 5.206 -7.402) 11.120 18.558 ( -7.619 -4.995 -2.698) 9.502 18.643 ( 4.486 4.002 1.441) 6.182 18.773 ( 5.931 -7.392 1.019) 9.532 18.980 ( -2.027 7.892 1.284) 8.249 19.083 ( 2.840 4.127 8.876) 10.192 19.127 ( -1.421 -3.315 -0.576) 3.652 19.197 ( 3.144 -4.084 8.049) 9.558 19.414 ( -3.099 2.313 4.995) 6.317 19.458 ( -4.963 -1.953 4.224) 6.803 19.596 ( -2.713 4.243 -1.769) 5.338 19.659 ( 3.411 -0.701 -1.270) 3.707 19.966 ( -1.574 5.168 -2.038) 5.774 20.058 ( -6.529 -1.723 -2.617) 7.242 20.114 ( 1.826 -0.476 -1.686) 2.531 20.149 ( 5.077 -3.968 -1.289) 6.572 23.131 ( 0.409 3.524 3.161) 4.752 23.225 ( 0.204 -5.169 3.520) 6.257 23.676 ( 1.787 3.080 -1.267) 3.780 23.729 ( 3.467 -1.138 -5.679) 6.750 23.950 ( -3.185 7.682 1.141) 8.394 24.090 ( -1.952 -4.682 -2.679) 5.737 24.266 ( -0.519 4.180 -8.459) 9.450 24.302 ( -0.794 0.248 -1.612) 1.814 24.521 ( 0.278 0.978 -1.695) 1.977 24.552 ( 2.366 -1.506 -2.422) 3.705 24.672 ( 0.619 1.393 -1.833) 2.384 24.734 ( -1.247 -3.800 -3.628) 5.400 25.193 ( 3.173 0.680 0.505) 3.285 25.201 ( 3.239 -0.559 -0.807) 3.385 25.356 ( -8.706 1.984 4.563) 10.027 25.434 ( -7.226 -4.477 1.926) 8.716 26.091 ( 0.619 -0.175 -0.553) 0.848 26.102 ( 2.019 -1.194 0.323) 2.368 26.648 ( 2.419 7.700 -0.433) 8.083 26.791 ( -0.163 -5.341 -0.853) 5.411 27.033 ( 3.899 3.223 2.176) 5.507 27.100 ( 5.563 -2.528 -0.255) 6.116 27.307 ( -5.322 4.687 -0.890) 7.148 27.414 ( -6.550 -4.613 -1.576) 8.165 33.736 ( 2.767 3.937 3.877) 6.179 33.837 ( 2.174 -5.233 3.024) 6.423 34.301 ( -2.616 4.531 -2.668) 5.873 34.396 ( -3.737 -4.045 -4.583) 7.165 34.538 ( -1.256 4.313 6.752) 8.110 34.635 ( -2.998 -4.392 5.805) 7.873 35.505 ( 3.168 3.932 -3.659) 6.236 35.609 ( 3.521 -5.559 -2.425) 7.013 36.078 ( 4.176 7.099 -0.425) 8.247 36.156 ( 4.183 1.311 -4.355) 6.179 36.468 ( -6.776 -0.318 -5.306) 8.612 36.544 ( -8.252 -6.156 -4.864) 11.386 38.053 ( 7.130 1.875 8.501) 11.253 38.114 ( 5.147 -3.604 8.073) 10.230 38.754 ( -10.160 0.825 -2.197) 10.428 38.764 ( -8.570 -0.084 -2.590) 8.953 38.822 ( 3.396 3.155 1.662) 4.924 38.902 ( 3.172 -3.903 1.212) 5.173 39.240 ( 7.418 4.368 0.697) 8.636 39.334 ( 5.823 -4.049 -2.987) 7.696 39.435 ( -0.161 4.556 -0.261) 4.567 39.520 ( 4.658 -2.062 -0.819) 5.160 39.661 ( -9.671 3.671 -1.200) 10.414 39.752 ( -3.815 -3.888 -2.757) 6.105 77.159 ( 6.918 1.628 6.533) 9.653 77.223 ( 9.128 -4.380 9.104) 13.616 78.206 ( -3.884 2.613 -2.615) 5.362 78.259 ( -10.128 -1.485 -5.628) 11.681 78.607 ( -10.488 2.704 3.782) 11.473 78.679 ( -7.146 -3.552 3.010) 8.529 79.263 ( 3.691 10.321 -1.219) 11.028 79.530 ( -18.188 -13.466 -9.171) 24.418 80.139 ( -2.598 11.514 5.127) 12.869 80.349 ( 18.209 -6.498 9.278) 21.444 81.189 ( 10.939 4.310 12.119) 16.885 81.310 ( 9.544 -5.690 13.139) 17.207 81.815 ( 3.943 6.567 -16.513) 18.203 81.975 ( 5.645 -8.484 -20.834) 23.193 82.525 ( -12.438 7.317 -8.620) 16.809 82.697 ( -9.991 -7.383 -8.388) 14.989 83.452 ( 6.679 11.146 -16.531) 21.027 83.619 ( 2.655 -3.782 -18.006) 18.589 84.248 ( -2.792 12.955 -6.918) 14.949 84.540 ( -5.346 -12.778 -7.403) 15.705 86.743 ( 6.885 8.755 51.517) 52.707 87.053 ( 24.704 -22.426 62.387) 70.749 89.462 ( -4.497 8.188 -5.399) 10.790 89.647 ( -1.975 -8.262 -9.557) 12.786 ======================= Grid point 62 (33/78) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 7.184 14.203 3.210) 16.237 1.489 ( 3.484 -13.787 2.444) 14.428 1.969 ( 9.037 17.627 12.127) 23.226 2.134 ( 12.516 6.424 12.541) 18.846 2.145 ( 16.889 10.877 20.891) 28.982 2.290 ( 8.545 3.925 14.867) 17.591 2.428 ( -0.086 1.240 0.815) 1.487 2.664 ( 2.491 -16.258 -1.122) 16.486 2.822 ( 4.382 2.816 -9.264) 10.628 2.907 ( 5.837 -4.577 -8.584) 11.345 3.152 ( -0.806 5.717 -1.824) 6.054 3.295 ( -0.104 -6.491 0.593) 6.519 3.569 ( -2.315 3.020 -2.614) 4.617 3.634 ( -3.935 -2.556 -0.616) 4.733 3.860 ( -3.217 6.401 -15.654) 17.216 3.913 ( -6.407 0.354 -17.480) 18.620 4.391 ( 0.002 9.200 10.092) 13.656 4.646 ( 2.447 -10.191 11.775) 15.763 5.006 ( -2.166 6.446 4.317) 8.054 5.185 ( -7.181 -2.043 -0.678) 7.497 5.336 ( -10.102 -1.943 -5.945) 11.881 5.471 ( -10.304 -8.927 -7.058) 15.352 5.736 ( -0.338 6.996 -0.014) 7.004 5.859 ( -2.644 -1.942 -2.750) 4.280 5.942 ( 4.488 0.461 -0.352) 4.526 6.026 ( 1.880 -4.998 1.925) 5.676 6.297 ( 1.327 7.124 -6.035) 9.430 6.422 ( -1.635 -3.680 -6.748) 7.858 6.909 ( -0.480 5.945 0.750) 6.011 7.006 ( 0.039 -2.493 2.379) 3.446 7.175 ( -4.687 2.277 -0.364) 5.223 7.222 ( -1.328 -1.202 -0.108) 1.794 7.492 ( -1.058 4.617 0.867) 4.816 7.612 ( -2.631 -5.884 -2.274) 6.835 8.073 ( 1.127 1.724 1.549) 2.577 8.159 ( 2.196 -4.648 2.161) 5.577 8.500 ( -0.074 1.749 1.946) 2.617 8.543 ( 0.482 -1.415 3.570) 3.870 8.708 ( 4.765 2.927 4.988) 7.494 8.864 ( 0.137 -8.825 5.950) 10.644 9.228 ( 1.496 -0.581 1.537) 2.222 9.326 ( 0.184 -7.525 6.153) 9.722 9.515 ( -1.803 4.851 -7.077) 8.767 9.666 ( -1.566 -8.453 -8.484) 12.078 10.234 ( 11.009 11.754 0.343) 16.109 10.373 ( 3.299 5.280 -17.486) 18.562 10.456 ( -1.288 -2.949 -16.100) 16.418 10.512 ( 15.096 -5.656 2.048) 16.250 11.445 ( -1.078 7.659 12.725) 14.891 11.635 ( -3.706 -8.888 12.929) 16.121 11.877 ( 3.969 4.913 5.209) 8.187 11.981 ( 5.548 -2.922 10.728) 12.426 12.432 ( -5.929 2.908 -2.734) 7.148 12.499 ( -5.213 -1.112 -2.401) 5.846 13.187 ( -2.424 0.838 -4.065) 4.807 13.266 ( -1.453 -5.408 -1.575) 5.817 13.907 ( -0.381 8.793 -2.141) 9.058 14.080 ( -0.944 -7.268 1.233) 7.432 14.457 ( -5.994 4.960 1.446) 7.913 14.559 ( -8.244 -4.145 -2.079) 9.459 17.447 ( -1.656 5.469 0.962) 5.795 17.567 ( -4.938 -3.480 1.139) 6.147 17.725 ( -0.120 -0.343 1.040) 1.102 17.816 ( -2.669 -6.560 1.404) 7.220 18.045 ( -0.480 6.079 -1.723) 6.337 18.186 ( -3.289 -4.259 -1.400) 5.560 18.245 ( -1.153 2.250 -8.662) 9.024 18.283 ( 1.894 -1.862 -9.341) 9.712 18.446 ( -1.848 -0.288 10.035) 10.207 18.489 ( 2.016 -3.641 6.232) 7.494 18.798 ( 9.845 6.336 -2.509) 11.973 18.904 ( 1.704 1.591 -8.816) 9.119 18.995 ( 8.212 -4.071 5.195) 10.536 19.056 ( -3.861 -3.642 4.419) 6.906 19.138 ( 0.254 5.769 2.468) 6.280 19.256 ( 0.411 -4.087 2.208) 4.663 19.401 ( -0.312 1.573 4.643) 4.912 19.448 ( 1.201 -2.193 8.434) 8.797 19.570 ( 1.497 8.220 -1.049) 8.421 19.720 ( 2.727 -5.228 -0.509) 5.919 19.906 ( -2.809 2.265 -0.170) 3.613 19.932 ( -4.129 -0.184 -2.098) 4.635 20.171 ( 3.724 2.739 -2.923) 5.470 20.253 ( 4.330 -4.480 -3.679) 7.235 23.147 ( -0.228 3.452 3.451) 4.887 23.236 ( -0.525 -4.794 3.656) 6.052 23.680 ( -1.186 3.484 -1.008) 3.816 23.730 ( -1.843 -0.945 -2.552) 3.286 23.914 ( -0.186 6.347 -3.233) 7.125 24.027 ( -2.548 -3.869 -5.256) 7.006 24.226 ( 0.106 5.191 -4.397) 6.804 24.288 ( 0.074 -0.173 -1.459) 1.471 24.466 ( -3.235 1.750 -1.461) 3.958 24.514 ( -3.534 -1.576 -1.138) 4.033 24.773 ( 8.533 1.021 -0.457) 8.606 24.818 ( 9.057 -2.911 -3.629) 10.182 25.179 ( -8.537 -0.693 5.899) 10.400 25.187 ( -6.544 -1.392 4.311) 7.959 25.281 ( 4.980 3.583 -2.691) 6.699 25.374 ( 3.172 -4.476 -3.430) 6.470 26.111 ( 0.754 0.714 -1.998) 2.252 26.148 ( 1.788 -2.522 1.022) 3.256 26.678 ( -0.075 5.111 0.502) 5.136 26.754 ( -3.713 -2.318 -0.856) 4.460 27.046 ( -4.074 4.224 7.374) 9.424 27.144 ( -2.258 -3.700 4.920) 6.557 27.222 ( -1.567 5.802 -5.174) 7.930 27.352 ( 2.866 -5.507 -7.132) 9.456 33.872 ( 8.906 3.065 6.415) 11.396 33.948 ( 7.443 -3.808 4.709) 9.595 34.231 ( -2.507 3.037 -4.734) 6.158 34.292 ( -3.539 -2.338 -6.362) 7.646 34.552 ( -0.543 1.800 6.170) 6.449 34.602 ( -2.717 -2.712 5.799) 6.955 35.552 ( 2.865 4.316 -2.604) 5.798 35.648 ( 1.501 -4.644 -2.886) 5.670 36.043 ( -11.795 7.281 0.301) 13.865 36.167 ( -13.277 3.430 -5.087) 14.626 36.218 ( -5.302 -5.134 -2.770) 7.883 36.275 ( -9.698 -5.147 -5.395) 12.233 38.213 ( 4.141 1.416 8.901) 9.918 38.257 ( 3.710 -2.614 10.198) 11.162 38.460 ( -14.362 1.141 -5.043) 15.265 38.480 ( -14.836 -0.682 -6.080) 16.048 38.964 ( 8.411 2.266 4.436) 9.775 39.025 ( 6.740 -3.185 4.153) 8.533 39.359 ( 0.876 2.940 -5.479) 6.279 39.433 ( 1.302 1.056 2.567) 3.065 39.439 ( 2.471 -1.763 -4.893) 5.758 39.461 ( -0.215 1.686 -1.531) 2.288 39.747 ( 12.835 3.642 0.139) 13.342 39.843 ( 12.324 -4.605 -2.232) 13.344 77.293 ( -0.989 0.442 6.213) 6.307 77.370 ( -3.466 -6.770 6.754) 10.172 77.874 ( -13.545 8.494 -4.241) 16.541 78.035 ( -5.261 -5.674 -2.794) 8.227 78.464 ( -8.812 0.252 6.767) 11.113 78.519 ( -5.567 -4.789 13.951) 15.766 79.255 ( 0.042 3.360 -9.035) 9.640 79.376 ( 0.060 -7.353 -7.982) 10.853 80.307 ( 13.970 18.096 5.486) 23.510 80.632 ( 10.542 -10.076 -0.912) 14.611 81.604 ( 16.045 1.881 7.453) 17.791 81.632 ( 8.710 1.458 6.695) 11.082 81.970 ( 17.324 0.913 -7.295) 18.820 82.058 ( 12.845 -5.389 -9.939) 17.112 82.367 ( 3.525 9.541 -14.239) 17.498 82.587 ( 3.048 -9.648 -9.596) 13.945 83.550 ( 6.231 6.704 -4.684) 10.281 83.628 ( 1.980 -0.376 -4.488) 4.920 84.122 ( -6.190 12.538 -12.641) 18.850 84.360 ( -9.439 -8.292 -11.645) 17.130 87.055 ( 6.476 18.874 51.669) 55.388 87.684 ( 16.297 -41.210 53.180) 69.224 89.238 ( -15.152 10.395 -11.468) 21.660 89.476 ( -11.373 -10.726 -13.335) 20.548 ======================= Grid point 63 (34/78) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 12.827 8.108 -2.101) 15.319 1.609 ( 8.371 -12.012 -2.696) 14.887 2.042 ( 1.342 16.750 -3.814) 17.231 2.189 ( 1.579 2.788 -4.807) 5.777 2.401 ( -0.245 4.049 -1.899) 4.479 2.553 ( 5.794 -4.169 2.234) 7.480 2.685 ( 16.650 2.907 22.538) 28.172 2.773 ( 3.644 -3.551 8.251) 9.693 2.943 ( 10.942 -0.313 6.130) 12.546 3.013 ( 6.421 -4.625 3.280) 8.566 3.171 ( 4.513 5.483 -5.216) 8.811 3.285 ( 1.287 -4.820 -4.998) 7.062 3.479 ( -6.022 3.161 -6.857) 9.658 3.538 ( -5.962 -2.077 -5.373) 8.290 3.686 ( -6.836 2.494 -16.164) 17.727 3.693 ( -7.963 1.463 -13.234) 15.514 4.463 ( 1.546 9.686 5.477) 11.234 4.692 ( -3.592 -10.616 1.691) 11.334 4.949 ( -4.003 12.119 4.724) 13.609 4.998 ( -4.977 12.704 -4.818) 14.470 5.186 ( -4.617 -8.276 5.285) 10.851 5.343 ( 1.164 -16.028 -0.641) 16.083 5.740 ( -0.025 4.024 0.766) 4.096 5.807 ( -1.860 -1.120 -1.958) 2.923 6.032 ( 3.394 -0.113 3.146) 4.629 6.080 ( 2.438 -3.588 3.089) 5.325 6.270 ( -4.750 5.984 0.244) 7.644 6.330 ( -4.508 1.018 -1.424) 4.837 6.892 ( -1.431 4.010 -1.014) 4.377 6.981 ( -3.051 -4.409 2.037) 5.736 7.135 ( 1.211 0.741 -1.549) 2.101 7.202 ( -0.061 -4.437 -1.937) 4.841 7.490 ( -0.020 2.076 2.400) 3.174 7.550 ( -2.820 -3.447 -0.658) 4.502 8.108 ( 1.967 3.978 0.950) 4.538 8.190 ( 0.361 -2.546 0.923) 2.732 8.518 ( 1.266 2.422 0.772) 2.840 8.586 ( 2.136 -2.768 2.740) 4.442 8.805 ( 2.102 2.828 4.695) 5.870 8.878 ( -1.316 -3.150 5.948) 6.858 9.200 ( -3.404 0.176 -3.593) 4.953 9.271 ( -2.592 -5.912 -8.113) 10.368 9.501 ( 0.054 0.378 1.473) 1.522 9.621 ( 0.016 -9.538 -1.439) 9.646 10.274 ( 1.343 5.436 -21.549) 22.265 10.369 ( 0.227 -2.855 -18.811) 19.028 10.629 ( 17.971 14.430 5.543) 23.705 10.884 ( 18.162 -5.515 6.479) 20.056 11.453 ( -3.626 2.238 11.896) 12.636 11.590 ( -5.902 -8.152 15.586) 18.553 11.942 ( 1.943 5.084 -0.239) 5.447 12.082 ( 1.346 -6.843 -0.720) 7.012 12.411 ( 5.851 7.200 3.069) 9.772 12.488 ( 5.239 1.785 4.268) 6.989 13.062 ( -8.462 2.287 -2.176) 9.031 13.227 ( -1.886 -10.668 -1.668) 10.961 13.809 ( -8.596 10.412 -6.007) 14.778 14.000 ( -6.437 -6.758 -4.924) 10.552 14.281 ( -11.563 2.787 1.000) 11.936 14.340 ( -11.401 -2.757 -1.739) 11.858 17.419 ( -1.768 2.080 1.660) 3.195 17.478 ( -4.091 -3.285 1.415) 5.434 17.700 ( -2.069 0.854 -1.347) 2.613 17.782 ( -1.970 -6.393 0.166) 6.691 18.019 ( -1.115 5.153 -1.805) 5.573 18.081 ( -4.159 -0.800 -1.060) 4.365 18.222 ( 1.349 3.211 -4.901) 6.012 18.298 ( 0.272 -3.218 -0.751) 3.316 18.501 ( 1.849 1.956 8.933) 9.330 18.555 ( 2.985 -2.560 6.833) 7.883 18.850 ( -1.890 5.540 -1.918) 6.160 18.956 ( 3.889 -2.100 -2.904) 5.289 19.058 ( 0.295 4.440 3.124) 5.437 19.120 ( -0.069 2.486 0.045) 2.487 19.218 ( 9.237 -7.357 -1.153) 11.865 19.257 ( 3.282 -5.653 -2.170) 6.887 19.453 ( 4.047 3.981 3.533) 6.686 19.536 ( 4.024 -2.085 6.918) 8.270 19.622 ( 3.420 5.018 0.369) 6.083 19.741 ( -0.592 -4.671 -0.234) 4.714 19.859 ( -0.409 3.220 0.519) 3.287 19.917 ( 1.249 -1.475 -0.537) 2.006 20.201 ( 0.061 3.302 -2.590) 4.197 20.275 ( -0.577 -3.218 -3.598) 4.861 23.142 ( -1.457 3.197 3.138) 4.711 23.227 ( -1.703 -4.547 3.181) 5.804 23.626 ( -2.988 3.888 -2.627) 5.563 23.665 ( -3.248 0.145 -1.766) 3.700 23.923 ( 2.079 2.421 -1.103) 3.377 23.975 ( -0.719 -2.154 -3.810) 4.436 24.249 ( 2.421 4.791 -2.085) 5.759 24.286 ( 0.123 2.771 -0.216) 2.782 24.432 ( -0.080 -0.731 -2.226) 2.344 24.460 ( -0.755 -1.298 0.066) 1.503 24.936 ( 4.843 1.010 0.177) 4.950 24.985 ( 3.896 -3.510 -0.713) 5.292 25.071 ( -0.684 -0.644 5.162) 5.247 25.078 ( -1.792 -1.726 4.334) 4.997 25.389 ( 6.662 2.902 -3.761) 8.182 25.470 ( 7.061 -4.454 -4.978) 9.720 26.076 ( -3.208 2.530 -3.521) 5.394 26.161 ( -1.027 -4.838 -1.303) 5.114 26.612 ( -6.893 3.817 -0.141) 7.880 26.667 ( -4.251 -1.245 2.629) 5.151 26.988 ( -4.006 3.200 7.219) 8.855 27.049 ( -6.662 -1.516 4.488) 8.175 27.249 ( 4.021 7.151 -4.309) 9.267 27.413 ( 4.699 -7.148 -5.284) 10.055 34.110 ( 10.006 1.245 4.248) 10.941 34.130 ( 8.155 -0.144 2.133) 8.431 34.210 ( 3.807 0.579 -1.331) 4.075 34.241 ( 2.207 -1.709 -2.864) 3.999 34.554 ( -1.212 0.119 6.222) 6.340 34.570 ( -2.464 -1.472 6.360) 6.978 35.558 ( -9.904 7.589 -4.970) 13.430 35.623 ( -6.077 3.173 -3.361) 7.635 35.666 ( -16.623 -3.191 -3.835) 17.356 35.776 ( -10.957 -7.725 -3.141) 13.769 36.141 ( -5.736 2.053 -0.579) 6.120 36.174 ( -4.310 -1.135 -1.222) 4.621 38.154 ( -9.945 0.843 -4.412) 10.913 38.178 ( -9.140 -1.272 -3.713) 9.947 38.311 ( -0.302 2.565 6.709) 7.189 38.369 ( 0.055 -2.686 9.388) 9.765 39.130 ( 5.804 0.337 2.684) 6.404 39.134 ( 2.683 0.057 0.647) 2.760 39.294 ( -3.154 2.453 -4.030) 5.675 39.346 ( -3.157 -1.809 -3.051) 4.749 39.565 ( 8.652 2.367 -5.452) 10.496 39.614 ( 10.179 -1.772 1.878) 10.502 40.011 ( 12.445 3.914 1.241) 13.105 40.103 ( 12.735 -4.199 0.042) 13.410 77.107 ( -12.224 -0.572 -3.670) 12.776 77.139 ( -13.900 -3.526 -3.458) 14.751 77.853 ( 2.521 4.710 10.266) 11.573 77.969 ( -6.117 -5.846 2.000) 8.694 78.451 ( 4.396 4.241 12.114) 13.567 78.555 ( 1.800 -4.888 18.397) 19.121 79.227 ( -0.230 -1.739 -8.176) 8.362 79.322 ( -0.920 -9.068 -7.147) 11.582 80.689 ( 21.864 14.638 1.741) 26.369 80.920 ( 19.505 -5.841 -4.211) 20.791 81.640 ( 2.627 11.853 -10.025) 15.745 81.793 ( 4.934 -3.997 -15.142) 16.420 82.096 ( 4.234 6.944 -6.968) 10.710 82.330 ( 5.306 -12.934 4.287) 14.622 82.599 ( 15.331 8.384 0.514) 17.481 82.794 ( 15.572 -7.731 -2.463) 17.559 83.631 ( 0.548 1.998 2.890) 3.555 83.646 ( -0.375 1.460 4.810) 5.040 83.962 ( -3.693 10.584 -8.147) 13.858 84.111 ( -9.675 -2.907 -10.119) 14.299 87.394 ( 11.116 22.966 41.827) 48.995 88.065 ( 6.289 -36.648 31.120) 48.488 88.808 ( -21.378 10.306 -15.335) 28.256 89.109 ( -19.682 -14.698 -18.236) 30.593 ======================= Grid point 64 (35/78) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 12.580 4.251 -5.300) 14.297 1.764 ( 7.675 -8.806 -5.451) 12.891 2.036 ( 1.062 6.742 -9.920) 12.042 2.156 ( -1.553 -5.754 -9.723) 11.404 2.438 ( 4.073 9.956 0.221) 10.759 2.630 ( 3.503 -5.942 -3.788) 7.870 2.738 ( -4.353 4.414 -0.359) 6.210 2.845 ( -4.731 -5.517 -0.009) 7.268 3.042 ( -6.513 1.325 -15.924) 17.255 3.066 ( -6.520 -0.740 -14.691) 16.090 3.292 ( 5.324 4.247 -7.283) 9.972 3.360 ( 2.558 -2.025 -6.028) 6.854 3.419 ( 3.678 0.326 3.773) 5.279 3.430 ( 7.533 -0.835 8.404) 11.317 3.548 ( -3.925 4.207 1.815) 6.033 3.585 ( 0.532 0.624 7.023) 7.071 4.405 ( -3.493 4.412 -10.617) 12.016 4.518 ( -7.827 -4.765 -11.607) 14.788 4.976 ( 3.324 11.664 10.759) 16.213 5.085 ( 8.208 13.993 10.319) 19.226 5.181 ( 1.337 -5.070 12.969) 13.989 5.452 ( 6.362 -14.134 4.844) 16.239 5.729 ( -1.776 2.938 -0.351) 3.451 5.784 ( 1.035 -1.765 -0.601) 2.133 6.038 ( -6.970 5.065 5.844) 10.411 6.125 ( 0.709 -2.926 1.212) 3.245 6.159 ( -3.119 2.164 6.089) 7.176 6.253 ( -4.823 -2.363 4.278) 6.866 6.851 ( -1.621 2.042 -2.635) 3.707 6.924 ( -2.686 -3.881 -0.778) 4.783 7.184 ( 3.112 -2.756 -1.252) 4.342 7.204 ( 1.183 -5.090 -2.260) 5.693 7.500 ( -0.324 0.518 2.745) 2.813 7.509 ( -1.004 0.101 1.571) 1.868 8.147 ( 1.438 3.354 -0.312) 3.662 8.177 ( -1.660 0.758 -1.463) 2.339 8.549 ( 1.646 2.560 -0.262) 3.055 8.627 ( 0.939 -3.927 0.886) 4.133 8.802 ( -2.063 2.949 -0.947) 3.722 8.849 ( -2.900 -1.067 2.694) 4.100 9.142 ( -0.812 -0.296 -4.584) 4.665 9.188 ( -2.278 -4.352 -7.944) 9.340 9.525 ( 1.430 1.394 6.216) 6.529 9.667 ( 3.157 -10.663 7.283) 13.293 10.232 ( 2.348 5.102 -21.084) 21.820 10.320 ( 1.814 -2.873 -19.703) 19.994 10.901 ( 5.139 13.859 -1.076) 14.821 11.197 ( 7.139 -10.369 0.332) 12.593 11.394 ( -1.601 6.697 11.133) 13.090 11.571 ( -0.711 -7.841 18.762) 20.347 11.997 ( 4.249 3.082 2.793) 5.946 12.088 ( 1.360 -4.336 1.694) 4.850 12.589 ( 5.481 4.423 3.507) 7.868 12.679 ( 7.266 -0.933 5.040) 8.892 12.902 ( -2.842 10.900 -1.568) 11.372 13.233 ( 5.780 -15.368 -2.458) 16.602 13.530 ( -15.672 10.224 -6.970) 19.968 13.755 ( -15.497 -9.551 -10.160) 20.848 14.089 ( -6.096 4.720 -0.460) 7.723 14.162 ( -6.104 -1.743 -1.334) 6.487 17.390 ( -1.399 -0.418 0.479) 1.536 17.418 ( -2.480 -3.126 0.293) 4.001 17.659 ( -1.113 1.528 -2.853) 3.422 17.716 ( -3.485 -3.334 -2.884) 5.620 17.991 ( -1.620 3.040 0.335) 3.461 18.045 ( -0.331 -2.056 3.837) 4.365 18.242 ( 1.523 4.754 -1.043) 5.100 18.315 ( 1.091 -1.654 3.215) 3.776 18.547 ( 0.173 4.548 3.390) 5.675 18.642 ( 2.566 -3.542 3.756) 5.765 18.822 ( -0.879 5.164 6.213) 8.126 18.953 ( -2.760 -2.783 3.266) 5.102 19.029 ( -0.199 2.095 -2.076) 2.956 19.143 ( 0.428 -3.093 -2.160) 3.797 19.307 ( 3.823 1.385 -3.119) 5.125 19.411 ( 6.253 -5.976 -1.177) 8.729 19.553 ( 5.030 2.749 -0.208) 5.736 19.616 ( 1.348 -2.896 0.607) 3.251 19.692 ( 3.874 3.234 0.628) 5.085 19.767 ( 3.956 -2.577 1.360) 4.913 19.875 ( 1.150 3.197 -0.426) 3.424 19.925 ( -0.562 -1.288 -2.209) 2.618 20.166 ( -2.622 3.081 0.981) 4.164 20.231 ( -2.335 -2.292 0.667) 3.339 23.119 ( -1.683 2.776 2.931) 4.374 23.199 ( -1.929 -4.438 2.738) 5.560 23.566 ( -1.779 3.266 -3.446) 5.070 23.605 ( -1.736 -0.129 -3.592) 3.992 23.964 ( 1.276 0.834 -0.197) 1.537 23.988 ( 2.663 -1.441 2.993) 4.257 24.251 ( -0.610 5.317 -2.473) 5.895 24.318 ( 1.874 1.475 0.724) 2.493 24.431 ( 1.065 1.396 -0.767) 1.916 24.487 ( 2.765 -1.716 -1.950) 3.794 24.897 ( -4.802 -1.287 5.733) 7.588 24.925 ( -5.702 -3.628 5.417) 8.661 25.166 ( 6.133 3.025 0.108) 6.840 25.235 ( 8.466 -2.950 -3.247) 9.535 25.508 ( 6.571 3.133 -3.382) 8.027 25.594 ( 6.720 -5.245 -4.794) 9.780 25.988 ( -3.073 2.558 -4.285) 5.861 26.091 ( -4.249 -6.768 -4.577) 9.209 26.485 ( -5.249 6.312 2.973) 8.731 26.588 ( -5.217 -3.058 5.209) 7.981 26.913 ( -5.569 3.353 0.410) 6.513 26.959 ( -3.738 -0.878 4.351) 5.803 27.323 ( 4.321 7.499 -0.840) 8.696 27.492 ( 4.495 -7.401 -1.350) 8.764 34.174 ( 3.265 1.533 -2.788) 4.559 34.208 ( 1.599 -1.421 -3.644) 4.225 34.402 ( 7.267 -0.112 3.912) 8.254 34.416 ( 6.797 -1.108 3.141) 7.570 34.598 ( 6.334 0.325 9.403) 11.342 34.614 ( 8.032 -0.781 9.257) 12.280 35.135 ( -22.243 3.113 -4.502) 22.906 35.182 ( -22.233 -1.197 -4.170) 22.652 35.658 ( -0.024 2.315 -0.181) 2.322 35.724 ( 0.369 -3.416 -2.402) 4.192 36.001 ( -6.973 2.837 -4.164) 8.603 36.060 ( -4.691 -2.518 -6.214) 8.183 38.012 ( -2.866 1.751 -0.869) 3.469 38.056 ( -2.245 -2.192 -0.142) 3.141 38.320 ( -1.451 2.994 5.886) 6.761 38.387 ( -1.575 -3.021 8.563) 9.216 39.137 ( -1.001 2.642 -5.237) 5.951 39.192 ( 0.155 -2.141 -3.096) 3.768 39.233 ( -1.257 2.824 -3.209) 4.455 39.295 ( -0.507 -2.882 -4.254) 5.164 39.718 ( 7.050 4.242 -1.019) 8.291 39.809 ( 7.521 -4.058 3.833) 9.367 40.214 ( 7.180 4.389 1.490) 8.546 40.309 ( 7.566 -4.168 0.963) 8.692 76.917 ( -5.720 -1.494 -2.511) 6.423 76.924 ( -5.800 -2.330 -1.665) 6.468 77.812 ( -6.881 3.610 -7.186) 10.584 77.898 ( -1.213 -4.121 1.700) 4.620 78.562 ( -1.159 3.134 17.863) 18.173 78.629 ( -3.872 -2.637 21.120) 21.634 79.278 ( 9.132 -4.072 -0.281) 10.003 79.357 ( 6.524 -10.560 -0.093) 12.413 81.004 ( 6.459 13.400 -14.093) 20.491 81.211 ( 10.589 -4.404 -14.569) 18.541 81.862 ( 13.981 10.307 3.933) 17.809 81.879 ( 17.576 6.125 1.803) 18.700 82.193 ( 12.004 2.056 -15.789) 19.940 82.361 ( -0.758 -7.829 -9.716) 12.501 82.738 ( -2.232 3.098 5.529) 6.719 82.924 ( -4.012 -10.322 2.101) 11.271 83.523 ( -7.156 4.612 -4.342) 9.556 83.597 ( -8.890 -2.679 -1.717) 9.443 83.970 ( 4.875 10.224 14.010) 18.015 84.099 ( 7.307 0.179 11.930) 13.991 87.739 ( 3.709 16.687 9.274) 19.448 87.940 ( -18.351 7.833 -5.508) 20.699 88.553 ( -8.912 -17.137 -12.794) 23.169 88.659 ( -6.551 -20.029 3.770) 21.408 ======================= Grid point 65 (36/78) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -3.643 2.145 -7.264) 8.404 1.833 ( 7.419 -0.677 -3.994) 8.453 2.055 ( 6.445 -0.949 -13.709) 15.178 2.125 ( 2.954 -8.301 -17.173) 19.301 2.487 ( -5.392 3.983 -13.466) 15.042 2.521 ( -14.220 2.677 -18.006) 23.100 2.607 ( -8.449 0.138 -7.523) 11.314 2.656 ( -3.227 -2.417 0.188) 4.036 2.836 ( -3.937 -0.504 -6.430) 7.556 2.858 ( -5.406 -2.232 -8.424) 10.255 3.342 ( -2.023 3.082 -7.692) 8.530 3.363 ( 4.380 0.808 -7.076) 8.361 3.401 ( -2.979 3.833 2.344) 5.391 3.428 ( -2.174 0.842 -0.360) 2.359 3.763 ( 11.999 0.999 13.503) 18.092 3.784 ( 9.533 -0.713 13.775) 16.767 4.360 ( 2.730 2.939 -11.748) 12.414 4.405 ( 1.973 -0.531 -11.952) 12.125 5.103 ( 4.085 8.791 12.914) 16.147 5.213 ( 3.188 1.271 13.901) 14.319 5.355 ( 3.420 4.086 15.824) 16.697 5.540 ( 0.365 -4.294 7.624) 8.758 5.674 ( -1.731 8.513 -2.003) 8.915 5.848 ( 3.337 -3.464 1.302) 4.983 5.935 ( -1.832 2.766 7.943) 8.607 6.076 ( -6.158 -8.901 6.067) 12.408 6.140 ( -1.272 1.761 1.716) 2.768 6.212 ( -0.715 -3.758 4.732) 6.085 6.823 ( 0.005 0.898 -3.422) 3.538 6.878 ( -1.155 -2.025 -2.695) 3.564 7.196 ( 0.251 -1.482 -2.219) 2.680 7.262 ( 3.466 -7.203 -0.321) 8.000 7.498 ( -0.107 1.760 2.514) 3.070 7.524 ( 0.911 -0.634 3.060) 3.255 8.114 ( -3.369 3.857 -3.984) 6.488 8.150 ( -0.678 0.871 -2.349) 2.595 8.569 ( 0.194 1.776 -0.890) 1.996 8.625 ( -0.723 -2.826 -0.244) 2.927 8.755 ( -2.667 1.491 -1.666) 3.480 8.810 ( -0.635 -2.416 -0.535) 2.555 9.103 ( -1.976 0.038 -4.561) 4.971 9.143 ( -0.441 -3.354 -3.588) 4.932 9.611 ( 4.716 4.282 8.902) 10.947 9.786 ( 5.132 -10.512 12.078) 16.814 10.213 ( 3.114 4.725 -20.086) 20.868 10.296 ( 3.181 -2.945 -21.038) 21.480 10.836 ( -6.692 11.976 -8.886) 16.345 11.098 ( -8.411 -11.235 -12.731) 18.949 11.509 ( -0.099 5.699 20.830) 21.595 11.629 ( -3.323 -5.013 22.051) 22.856 12.175 ( 8.013 1.107 8.373) 11.642 12.184 ( 7.491 0.353 9.592) 12.175 12.575 ( -3.885 -0.820 -4.538) 6.030 12.616 ( -6.528 -4.969 -3.165) 8.793 12.955 ( -6.026 16.901 -2.792) 18.159 13.319 ( -0.299 -5.396 -3.982) 6.712 13.337 ( -2.378 -0.102 -5.267) 5.780 13.560 ( 12.223 -9.863 -4.688) 16.391 14.022 ( -0.857 4.723 -2.209) 5.284 14.084 ( -0.982 -0.868 -2.665) 2.969 17.370 ( -0.432 -1.162 -1.611) 2.033 17.387 ( -0.152 -2.658 -1.098) 2.880 17.623 ( -1.471 1.439 -3.698) 4.231 17.671 ( 0.427 -2.928 -2.287) 3.740 17.975 ( -0.268 4.070 2.317) 4.691 18.065 ( 0.280 -3.699 6.212) 7.236 18.272 ( 1.696 6.651 -1.244) 6.976 18.345 ( -0.168 0.595 3.449) 3.504 18.533 ( -1.147 2.040 4.225) 4.830 18.635 ( -3.983 -5.635 2.068) 7.204 18.886 ( 3.812 5.005 5.958) 8.665 18.968 ( 1.345 7.001 4.805) 8.597 19.013 ( 0.257 -5.959 1.547) 6.162 19.124 ( -0.918 -5.383 -4.476) 7.060 19.314 ( -1.533 4.013 -4.474) 6.202 19.445 ( -1.574 -6.497 -3.381) 7.491 19.593 ( -1.224 2.653 -2.220) 3.669 19.654 ( 1.240 -2.545 1.243) 3.092 19.729 ( -2.725 3.092 -0.965) 4.233 19.781 ( -2.171 -1.468 -0.797) 2.739 19.920 ( 2.778 1.123 -0.976) 3.151 19.946 ( 5.565 -0.964 -0.975) 5.731 20.140 ( -0.306 3.944 4.434) 5.942 20.217 ( 0.168 -2.363 3.624) 4.330 23.103 ( -0.975 2.571 2.733) 3.877 23.179 ( -0.934 -4.405 2.481) 5.141 23.533 ( -0.214 2.526 -3.514) 4.333 23.572 ( -0.223 -0.717 -4.773) 4.832 23.993 ( 1.377 2.891 2.353) 3.974 24.059 ( 2.749 -2.911 4.833) 6.276 24.227 ( -0.986 6.840 -2.225) 7.260 24.340 ( 0.232 -1.998 -0.219) 2.023 24.459 ( 1.218 3.857 0.367) 4.062 24.536 ( 2.704 -1.722 -2.169) 3.871 24.846 ( -2.099 -2.191 5.511) 6.291 24.857 ( -2.943 -3.264 6.289) 7.673 25.199 ( -2.720 5.481 -3.303) 6.953 25.314 ( 0.458 -4.451 -4.118) 6.081 25.602 ( 2.387 1.622 -1.582) 3.291 25.674 ( 3.256 -4.505 -4.536) 7.174 25.965 ( 1.738 1.926 -3.405) 4.281 26.049 ( 4.039 -5.362 -4.550) 8.110 26.445 ( 0.251 4.126 3.521) 5.430 26.508 ( -4.362 -1.624 5.473) 7.185 26.800 ( -5.259 5.743 -1.852) 8.005 26.907 ( -2.787 -4.116 1.691) 5.250 27.406 ( 3.591 7.971 2.157) 9.005 27.573 ( 3.458 -7.026 1.297) 7.937 34.225 ( 0.984 1.033 0.288) 1.456 34.249 ( 3.799 -0.809 -0.561) 3.925 34.423 ( -4.716 -0.361 -0.387) 4.746 34.444 ( -3.702 -2.025 -0.593) 4.262 34.713 ( -11.106 1.614 3.719) 11.823 34.738 ( -10.533 -0.266 4.115) 11.312 34.967 ( 15.604 1.130 7.247) 17.241 34.996 ( 17.537 -1.257 7.167) 18.987 35.588 ( -5.848 4.792 -2.841) 8.077 35.684 ( -5.173 -3.842 -3.213) 7.200 35.903 ( 1.526 4.026 -9.284) 10.233 35.997 ( 1.536 -4.357 -9.264) 10.352 38.033 ( 4.066 1.857 3.847) 5.898 38.080 ( 3.417 -2.318 4.087) 5.810 38.294 ( -2.883 3.383 3.957) 5.951 38.370 ( -2.970 -3.442 7.019) 8.363 39.077 ( -2.319 2.593 -7.788) 8.530 39.135 ( -2.838 -2.291 -7.181) 8.054 39.214 ( 0.105 3.334 -4.273) 5.421 39.287 ( 0.585 -3.239 -3.480) 4.790 39.806 ( 1.454 4.746 1.711) 5.250 39.911 ( 1.195 -4.855 3.399) 6.046 40.295 ( 0.345 4.747 2.191) 5.240 40.396 ( 0.606 -4.293 1.377) 4.549 76.871 ( 1.816 -1.091 -0.335) 2.145 76.896 ( 2.427 -3.440 0.424) 4.231 77.656 ( -5.267 7.499 -10.139) 13.666 77.838 ( -3.892 -9.147 -5.787) 11.503 78.542 ( -5.031 1.688 13.424) 14.435 78.579 ( -6.011 -1.390 14.637) 15.884 79.540 ( 11.971 -5.866 16.031) 20.850 79.550 ( 9.717 -6.514 9.933) 15.347 80.899 ( -7.413 15.637 -17.834) 24.850 81.214 ( -2.163 -12.919 -21.590) 25.253 81.944 ( -4.403 20.526 -6.233) 21.899 82.148 ( -8.936 2.400 -2.864) 9.686 82.510 ( 28.016 3.852 -6.579) 29.034 82.532 ( 13.586 0.825 -0.466) 13.619 82.667 ( 3.950 -4.218 -8.614) 10.373 82.734 ( -10.751 -12.232 10.023) 19.123 83.377 ( -7.417 3.593 6.053) 10.226 83.440 ( -5.151 -2.311 6.229) 8.407 84.170 ( 6.933 11.211 19.352) 23.415 84.315 ( 6.835 0.356 19.586) 20.748 87.126 ( -34.019 22.705 -34.396) 53.440 87.704 ( -24.614 -27.292 -28.546) 46.536 88.492 ( 15.273 13.138 11.766) 23.331 88.884 ( 13.854 -20.914 9.720) 26.903 ======================= Grid point 66 (37/78) ======================= q-point: (-0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -10.245 11.313 -16.110) 22.192 1.844 ( -8.820 -8.476 -14.267) 18.793 1.973 ( -16.041 3.002 -18.598) 24.743 2.029 ( -11.308 -3.734 -27.734) 30.182 2.156 ( 0.779 3.526 -5.289) 6.404 2.309 ( 0.689 -9.792 -4.806) 10.930 2.567 ( -3.464 4.172 4.689) 7.169 2.624 ( 0.326 -1.420 3.231) 3.545 2.763 ( -0.110 2.370 -6.873) 7.271 2.828 ( 1.759 -2.908 -5.585) 6.537 3.233 ( -4.549 8.410 -4.097) 10.403 3.362 ( -0.538 -2.792 -2.850) 4.026 3.430 ( 3.250 1.934 -1.424) 4.041 3.447 ( 3.765 -0.038 -1.514) 4.058 3.974 ( 6.441 1.123 6.392) 9.143 3.998 ( 7.851 -1.127 5.078) 9.418 4.397 ( 4.703 5.523 -7.840) 10.681 4.487 ( 7.013 -2.320 -6.952) 10.144 5.106 ( -10.179 16.751 10.770) 22.365 5.361 ( 6.055 -0.944 13.436) 14.768 5.391 ( 1.983 -0.719 13.713) 13.874 5.510 ( -7.290 -12.102 7.600) 16.042 5.707 ( 2.483 7.832 2.903) 8.714 5.855 ( -2.845 -4.721 3.638) 6.604 5.995 ( 3.667 2.350 3.970) 5.893 6.072 ( 2.123 -3.651 4.883) 6.456 6.123 ( 1.357 5.365 0.792) 5.590 6.246 ( 3.015 -3.908 2.257) 5.428 6.828 ( 1.740 0.169 -3.365) 3.792 6.861 ( 0.489 -1.477 -3.273) 3.624 7.198 ( 0.532 1.759 -0.769) 1.993 7.312 ( 1.309 -7.626 0.216) 7.741 7.511 ( 0.314 2.622 3.310) 4.234 7.570 ( 2.926 -3.509 2.936) 5.431 8.042 ( -2.014 5.156 -3.427) 6.510 8.118 ( -0.966 -1.408 -3.332) 3.744 8.561 ( -0.185 1.419 -0.656) 1.574 8.603 ( -1.437 -2.148 -0.924) 2.745 8.693 ( -3.072 1.646 0.367) 3.505 8.788 ( -2.603 -5.918 0.102) 6.466 9.042 ( -2.119 2.285 -4.649) 5.597 9.118 ( -0.969 -4.887 -4.849) 6.953 9.770 ( 6.921 5.872 11.295) 14.490 9.933 ( 3.784 -8.264 12.933) 15.807 10.202 ( 3.130 5.636 -20.495) 21.485 10.304 ( 6.572 -3.524 -22.212) 23.430 10.655 ( -7.565 8.503 -7.937) 13.876 10.843 ( -11.940 -8.038 -14.346) 20.322 11.504 ( -6.278 3.800 20.965) 22.212 11.605 ( -6.601 -5.533 20.592) 22.321 12.120 ( -13.857 3.365 1.144) 14.305 12.202 ( -12.601 -2.825 0.159) 12.915 12.571 ( 6.635 5.068 4.499) 9.484 12.698 ( 7.573 -4.874 6.784) 11.275 12.830 ( 5.183 8.984 -2.637) 10.702 13.101 ( -5.068 -14.204 -7.030) 16.639 13.600 ( 13.442 10.717 -5.182) 17.955 13.777 ( 6.286 -4.485 -10.184) 12.781 14.047 ( 4.382 5.111 -1.258) 6.849 14.149 ( 10.172 -4.826 -0.928) 11.297 17.375 ( 1.870 -0.365 -1.747) 2.585 17.406 ( 2.469 -3.134 -0.886) 4.087 17.603 ( 1.102 3.393 -2.935) 4.620 17.697 ( 2.757 -5.403 -1.895) 6.354 17.996 ( 1.249 4.863 2.971) 5.834 18.099 ( 0.934 -3.985 5.987) 7.252 18.245 ( -3.717 8.538 -3.405) 9.915 18.357 ( 0.680 0.765 1.923) 2.178 18.556 ( -2.129 -1.362 8.451) 8.820 18.599 ( 3.347 -4.510 7.496) 9.367 18.867 ( -4.652 3.538 -7.187) 9.263 18.965 ( -3.689 -3.479 0.187) 5.074 19.114 ( 4.978 2.455 6.213) 8.331 19.144 ( 4.669 -0.175 3.907) 6.091 19.224 ( -5.055 3.616 -7.826) 9.994 19.356 ( -5.172 -6.360 -5.908) 10.105 19.482 ( -7.973 2.550 -3.379) 9.027 19.547 ( -8.435 -3.033 -1.011) 9.020 19.701 ( -1.190 3.323 3.454) 4.939 19.769 ( -0.317 -2.989 3.336) 4.491 19.967 ( 0.161 2.465 4.156) 4.835 20.015 ( 0.911 -1.907 1.499) 2.591 20.190 ( 3.741 3.251 -0.984) 5.053 20.252 ( 2.207 -1.926 0.052) 2.929 23.101 ( -0.232 2.717 2.281) 3.556 23.180 ( 0.054 -4.526 2.143) 5.008 23.534 ( 1.535 1.858 -3.070) 3.903 23.562 ( 1.117 -0.461 -4.557) 4.715 24.034 ( 1.549 4.962 3.348) 6.182 24.126 ( 1.986 -3.229 4.684) 6.026 24.197 ( -0.733 7.278 -2.783) 7.827 24.326 ( -1.188 -3.319 -0.932) 3.647 24.467 ( -0.542 4.183 0.641) 4.266 24.566 ( 0.665 -3.355 -1.541) 3.751 24.848 ( -0.527 -1.191 4.729) 4.905 24.863 ( 1.734 -1.953 3.407) 4.293 25.088 ( -5.493 5.614 -1.812) 8.060 25.229 ( -6.531 -6.846 -2.962) 9.914 25.590 ( -1.978 2.900 -0.442) 3.538 25.694 ( -0.528 -6.243 -2.361) 6.695 26.008 ( 3.199 5.959 -3.347) 7.546 26.157 ( 4.995 -7.261 -3.421) 9.453 26.497 ( 3.031 2.958 2.233) 4.788 26.529 ( 6.836 0.022 2.663) 7.337 26.707 ( -2.900 7.083 -2.159) 7.952 26.864 ( -1.998 -6.907 1.089) 7.272 27.469 ( 1.506 7.812 3.572) 8.720 27.626 ( 1.080 -6.392 2.005) 6.786 34.155 ( -12.924 2.239 -4.243) 13.785 34.216 ( -10.453 -2.969 -2.764) 11.213 34.285 ( -2.269 1.596 1.401) 3.108 34.328 ( 1.338 -1.884 1.983) 3.045 34.649 ( -0.604 1.126 9.354) 9.441 34.685 ( 1.242 -2.089 10.641) 10.915 35.370 ( 19.965 5.035 4.444) 21.064 35.429 ( 12.642 0.331 0.499) 12.656 35.473 ( 1.131 2.018 -3.666) 4.335 35.565 ( 1.769 -4.293 -4.901) 6.751 35.967 ( 6.719 2.752 -8.756) 11.375 36.046 ( 6.630 -4.072 -6.551) 10.172 38.156 ( -0.867 2.022 1.120) 2.469 38.175 ( 6.943 0.244 5.380) 8.787 38.281 ( 3.769 0.239 6.494) 7.513 38.324 ( -3.018 -3.407 5.507) 7.145 38.996 ( -3.137 2.431 -7.216) 8.236 39.050 ( -2.957 -2.313 -6.513) 7.517 39.204 ( 0.777 4.056 -5.553) 6.920 39.284 ( 0.568 -3.191 -4.104) 5.229 39.784 ( -4.449 4.271 2.707) 6.735 39.876 ( -5.555 -4.180 1.300) 7.073 40.248 ( -5.832 4.213 3.457) 7.982 40.343 ( -6.292 -4.199 1.492) 7.710 76.970 ( 7.379 -1.661 -0.373) 7.573 76.993 ( 6.198 -3.773 -1.245) 7.362 77.566 ( 0.424 6.974 -4.259) 8.182 77.729 ( -3.228 -8.257 -7.979) 11.927 78.508 ( -2.821 0.989 12.211) 12.571 78.533 ( -3.079 -1.284 12.488) 12.926 79.746 ( 4.223 -2.109 12.308) 13.182 79.790 ( 5.474 -6.142 19.608) 21.264 80.651 ( -11.842 17.357 -9.869) 23.214 81.039 ( -7.540 -17.312 -13.853) 23.419 81.675 ( -13.829 17.923 -18.462) 29.212 81.941 ( -10.872 -4.432 -6.060) 13.212 82.320 ( -13.255 2.158 -10.173) 16.848 82.454 ( -14.365 -8.361 -6.622) 17.892 83.028 ( 17.733 5.889 -2.602) 18.865 83.097 ( 14.334 0.262 1.965) 14.470 83.333 ( 2.882 4.327 17.450) 18.208 83.451 ( 2.765 -6.301 12.509) 14.276 84.356 ( 5.121 13.011 16.269) 21.452 84.463 ( 0.491 5.649 17.971) 18.844 86.415 ( -23.212 18.234 -25.358) 38.914 87.014 ( -29.277 -34.356 -37.310) 58.562 88.901 ( 19.044 11.766 9.074) 24.155 89.196 ( 14.929 -14.583 2.350) 21.001 ======================= Grid point 67 (38/78) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -16.468 13.832 -24.060) 32.271 1.458 ( -14.280 2.646 -16.010) 21.615 1.611 ( -14.661 -2.432 -10.103) 17.971 1.793 ( -9.794 -7.428 1.700) 12.409 2.131 ( -3.424 11.557 -0.519) 12.065 2.362 ( 2.058 -6.085 -0.886) 6.485 2.509 ( -3.623 6.349 3.039) 7.917 2.630 ( -0.088 -7.741 -0.115) 7.742 2.781 ( 3.487 4.155 -8.778) 10.318 2.854 ( 2.818 -2.411 -6.344) 7.348 3.174 ( 0.102 7.240 -3.596) 8.085 3.340 ( -1.454 -6.809 -1.801) 7.192 3.503 ( 4.708 2.001 -0.589) 5.149 3.543 ( 5.890 -1.500 -0.065) 6.078 4.073 ( 1.902 2.101 -1.920) 3.423 4.108 ( 2.972 -0.658 -3.572) 4.694 4.460 ( 2.157 6.375 -0.229) 6.734 4.535 ( -2.252 2.084 4.784) 5.683 4.974 ( -2.719 10.851 6.446) 12.911 5.329 ( -8.842 -17.653 7.259) 21.036 5.511 ( 3.583 0.848 7.679) 8.516 5.528 ( 4.175 -0.534 4.578) 6.219 5.764 ( 2.564 4.006 7.122) 8.565 5.860 ( 2.084 -3.591 2.875) 5.050 6.008 ( -1.476 1.684 -0.474) 2.289 6.062 ( -1.671 -2.527 0.000) 3.030 6.267 ( 6.204 5.334 0.745) 8.215 6.322 ( 4.855 0.633 -1.822) 5.225 6.854 ( 1.872 1.643 -2.589) 3.593 6.887 ( 3.096 -2.030 -1.789) 4.112 7.207 ( 0.334 3.090 0.842) 3.220 7.311 ( -1.174 -5.050 1.100) 5.300 7.538 ( 1.360 4.936 3.495) 6.199 7.665 ( 4.974 -7.859 3.565) 9.960 8.013 ( -0.346 4.081 -1.438) 4.341 8.095 ( -0.556 -2.761 -2.448) 3.732 8.545 ( -1.718 2.993 -4.379) 5.575 8.585 ( 0.248 2.545 3.030) 3.965 8.655 ( -0.841 -2.869 5.338) 6.118 8.710 ( -4.314 -6.898 0.254) 8.140 9.003 ( 0.314 0.475 -4.016) 4.057 9.067 ( -1.894 -5.580 -5.675) 8.181 9.872 ( -3.277 2.534 7.192) 8.299 9.948 ( -5.069 -2.496 2.119) 6.035 10.208 ( 4.977 8.570 -19.253) 21.654 10.401 ( 6.545 -6.938 -21.156) 23.207 10.540 ( -0.503 2.191 1.866) 2.921 10.584 ( -6.646 -1.741 -5.287) 8.669 11.413 ( -10.717 2.428 12.040) 16.301 11.525 ( -6.123 -6.981 10.922) 14.336 11.846 ( -10.245 6.862 2.631) 12.609 11.960 ( -8.875 -3.313 2.511) 9.801 12.648 ( -0.335 3.440 4.594) 5.750 12.741 ( -2.311 -2.787 7.009) 7.889 13.112 ( 11.027 -1.963 -0.594) 11.216 13.155 ( 13.132 -4.225 2.178) 13.966 13.721 ( 3.016 5.044 -9.637) 11.288 13.777 ( 0.413 -0.154 -11.936) 11.945 14.198 ( 10.573 10.064 -1.695) 14.695 14.397 ( 12.435 -8.219 -0.912) 14.934 17.430 ( 3.526 0.981 0.094) 3.661 17.473 ( 4.029 -2.882 1.337) 5.131 17.649 ( 4.454 3.469 -2.941) 6.366 17.755 ( 2.973 -6.432 -0.031) 7.086 18.031 ( 1.092 6.523 -0.517) 6.634 18.132 ( 0.870 0.021 1.078) 1.386 18.187 ( -0.362 3.544 3.365) 4.901 18.332 ( -2.407 -6.026 -0.901) 6.551 18.619 ( 3.933 5.304 9.403) 11.490 18.689 ( -1.437 0.043 3.990) 4.241 18.769 ( -0.389 -2.774 -1.243) 3.065 18.838 ( -5.677 -6.220 -3.577) 9.150 19.047 ( -8.046 4.471 -8.591) 12.591 19.136 ( -7.686 -3.087 -7.615) 11.251 19.175 ( -4.085 5.099 5.612) 8.613 19.298 ( -4.031 -4.824 1.888) 6.564 19.358 ( 2.982 5.154 3.390) 6.852 19.461 ( 0.957 -4.037 3.435) 5.386 19.662 ( -4.038 4.706 2.229) 6.590 19.756 ( -2.154 -3.662 0.902) 4.343 19.967 ( -1.174 1.776 5.561) 5.955 20.011 ( -1.619 -1.908 3.780) 4.533 20.226 ( 0.234 2.328 -3.964) 4.603 20.278 ( 0.423 -2.175 -4.439) 4.962 23.106 ( -0.032 3.044 1.938) 3.609 23.192 ( 0.379 -4.899 2.076) 5.335 23.568 ( 2.927 2.103 -2.844) 4.592 23.593 ( 3.548 0.056 -3.935) 5.299 24.060 ( -0.820 6.090 2.892) 6.792 24.139 ( -0.868 0.821 0.093) 1.198 24.216 ( 2.817 2.865 -0.756) 4.088 24.308 ( 0.340 -2.461 -2.100) 3.253 24.457 ( -0.114 2.578 0.280) 2.596 24.548 ( -1.868 -4.632 0.052) 4.995 24.809 ( -3.791 5.098 -3.974) 7.494 24.913 ( 1.088 -3.827 -1.730) 4.338 25.044 ( 0.471 0.999 5.013) 5.133 25.106 ( -3.467 -4.581 2.516) 6.272 25.540 ( -3.069 2.977 1.382) 4.494 25.640 ( -4.156 -5.997 0.566) 7.318 26.047 ( 1.907 5.540 -3.349) 6.748 26.180 ( -0.967 -6.207 -1.289) 6.412 26.584 ( 2.503 8.327 -3.484) 9.367 26.698 ( 9.125 -2.262 -3.563) 10.054 26.732 ( 7.288 2.847 2.156) 8.116 26.844 ( -0.181 -7.229 3.322) 7.958 27.481 ( -1.800 6.977 3.293) 7.922 27.622 ( -2.290 -5.730 1.470) 6.343 33.893 ( -10.602 3.511 -2.647) 11.477 33.985 ( -9.577 -4.857 -2.269) 10.975 34.310 ( 1.181 2.775 4.343) 5.288 34.368 ( 1.593 -2.161 3.298) 4.253 34.661 ( -2.681 2.798 7.850) 8.754 34.731 ( -1.640 -3.232 9.676) 10.333 35.406 ( 1.508 2.414 -7.547) 8.066 35.467 ( 2.228 -3.246 -8.032) 8.945 35.728 ( 14.821 9.668 -2.378) 17.855 35.942 ( 16.659 -9.381 -3.267) 19.396 36.098 ( 12.483 7.491 -0.491) 14.566 36.247 ( 14.432 -5.964 1.267) 15.667 38.057 ( -6.116 4.891 -2.683) 8.278 38.179 ( -5.740 -6.020 0.038) 8.318 38.440 ( 10.529 1.680 7.875) 13.255 38.483 ( 11.185 -2.092 8.476) 14.189 38.909 ( -3.356 3.232 -3.954) 6.111 38.976 ( -2.740 -2.829 -3.160) 5.050 39.205 ( 1.353 4.406 -6.658) 8.098 39.283 ( 1.188 -2.630 -5.142) 5.897 39.663 ( -8.221 2.670 2.440) 8.981 39.712 ( -10.565 -1.751 -1.184) 10.774 40.104 ( -9.880 2.134 3.984) 10.864 40.170 ( -11.304 -3.474 1.201) 11.887 77.058 ( 1.360 -0.830 -6.028) 6.235 77.082 ( 2.860 -3.681 -4.822) 6.707 77.719 ( 14.038 2.197 4.592) 14.932 77.768 ( 12.799 -1.979 0.287) 12.954 78.517 ( -0.522 1.580 13.288) 13.392 78.564 ( 0.990 -2.653 14.937) 15.203 79.721 ( -9.439 4.939 2.302) 10.899 79.859 ( -5.326 -7.594 11.116) 14.477 80.391 ( -12.009 21.120 0.497) 24.301 80.890 ( -4.880 -23.949 -1.446) 24.484 81.333 ( -14.731 17.235 -16.331) 27.942 81.660 ( -15.845 -10.656 -6.822) 20.277 82.032 ( -11.654 4.811 -7.604) 14.724 82.142 ( -11.800 -6.029 -10.465) 16.885 83.077 ( -9.401 4.514 6.362) 12.216 83.174 ( -1.537 -3.128 -0.602) 3.537 83.489 ( 2.494 5.947 -10.064) 11.953 83.639 ( 10.796 -6.826 -9.884) 16.151 84.366 ( -6.856 17.984 4.938) 19.870 84.571 ( 4.325 2.488 16.559) 17.295 86.152 ( -0.850 3.948 8.293) 9.224 86.435 ( -14.508 -22.359 -13.790) 30.010 89.256 ( 14.059 8.700 3.363) 16.872 89.466 ( 12.065 -10.025 -2.899) 15.952 ======================= Grid point 68 (39/78) ======================= q-point: (-0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 2.315 16.116 7.708) 18.014 1.224 ( -7.418 9.991 -1.081) 12.490 1.423 ( -1.044 -6.660 8.007) 10.467 1.628 ( -7.477 -10.449 5.634) 14.029 2.050 ( -3.775 23.936 0.483) 24.237 2.346 ( -3.062 3.225 1.130) 4.588 2.458 ( -2.468 5.851 1.985) 6.653 2.633 ( 1.062 -15.452 -2.805) 15.741 2.801 ( 2.279 4.091 -12.867) 13.693 2.873 ( 1.294 -2.056 -7.024) 7.433 3.190 ( 1.508 1.760 -1.058) 2.547 3.290 ( -2.709 -6.365 0.505) 6.936 3.589 ( 3.458 2.585 -1.581) 4.598 3.657 ( 4.774 -3.055 0.268) 5.674 4.013 ( -4.449 7.634 -6.415) 10.919 4.106 ( -0.583 -1.218 -8.551) 8.657 4.447 ( -3.944 4.744 10.219) 11.937 4.541 ( 0.373 1.262 8.118) 8.224 4.995 ( 0.701 3.229 3.571) 4.865 5.253 ( -0.698 -15.493 3.005) 15.797 5.557 ( 0.815 3.673 1.797) 4.169 5.591 ( 0.265 0.529 3.660) 3.707 5.840 ( 2.372 2.582 0.623) 3.562 5.920 ( 2.124 -3.568 2.247) 4.721 5.955 ( -3.449 2.013 -2.945) 4.962 6.035 ( -1.043 -4.298 -1.345) 4.622 6.304 ( 0.721 6.426 -5.849) 8.719 6.413 ( 4.366 -2.656 -7.672) 9.218 6.887 ( 1.761 3.966 -0.832) 4.418 6.940 ( 2.261 -1.033 -0.221) 2.495 7.221 ( 0.479 3.018 2.630) 4.032 7.298 ( -0.876 -3.562 3.748) 5.244 7.578 ( 0.782 6.595 1.497) 6.808 7.719 ( -1.579 -5.850 -0.886) 6.124 8.024 ( 2.097 -0.556 1.552) 2.667 8.069 ( -1.543 -3.532 -0.197) 3.859 8.506 ( -0.103 4.740 -1.377) 4.937 8.572 ( -2.807 2.592 2.968) 4.838 8.638 ( -2.816 -2.519 4.027) 5.522 8.746 ( 5.826 -10.234 2.597) 12.059 9.039 ( 3.460 -3.491 -0.836) 4.986 9.059 ( 4.788 -3.007 0.790) 5.709 9.706 ( -10.160 5.567 -1.165) 11.643 9.828 ( -6.868 -4.633 -0.195) 8.287 10.204 ( -0.099 2.895 -11.877) 12.226 10.280 ( -5.062 -3.811 -13.831) 15.214 10.550 ( -0.273 4.962 -2.914) 5.761 10.644 ( 2.661 -3.586 -5.807) 7.326 11.269 ( -1.158 9.666 4.318) 10.649 11.507 ( 2.493 -11.376 4.951) 12.654 11.765 ( -2.071 6.597 8.756) 11.157 11.877 ( -3.615 -3.288 11.533) 12.525 12.642 ( -2.097 0.524 3.867) 4.430 12.689 ( -3.662 -3.350 2.140) 5.405 13.239 ( 1.633 3.994 -0.539) 4.348 13.338 ( 2.079 -5.313 -2.611) 6.274 13.754 ( 4.717 4.393 -6.713) 9.306 13.823 ( 9.114 -1.503 -2.880) 9.676 14.388 ( 8.255 10.621 -1.170) 13.503 14.587 ( 6.991 -7.599 -1.618) 10.452 17.485 ( 1.172 4.309 1.130) 4.606 17.566 ( 4.397 -2.041 1.809) 5.174 17.729 ( 2.536 0.211 -1.034) 2.747 17.796 ( 1.480 -5.015 2.413) 5.759 18.042 ( 2.228 6.269 -5.342) 8.533 18.178 ( -0.140 -5.360 0.724) 5.411 18.206 ( 3.332 5.514 1.600) 6.638 18.315 ( 0.617 -4.227 0.913) 4.368 18.592 ( -2.981 -0.579 -2.738) 4.089 18.632 ( -6.728 -2.106 -7.976) 10.645 18.726 ( -2.311 1.164 1.553) 3.018 18.781 ( -6.754 -2.486 -0.727) 7.233 18.941 ( 1.858 4.848 1.945) 5.544 19.063 ( 4.164 -3.922 4.000) 6.980 19.073 ( -5.271 4.322 5.493) 8.754 19.193 ( -4.857 -4.193 1.382) 6.563 19.472 ( 0.564 1.624 6.223) 6.456 19.513 ( -0.164 -1.894 4.018) 4.445 19.583 ( -1.089 7.472 -0.359) 7.560 19.691 ( -3.810 -2.499 -2.316) 5.111 19.969 ( -0.061 1.718 1.471) 2.262 20.023 ( 2.565 -2.909 4.259) 5.760 20.174 ( -3.495 1.305 -4.215) 5.629 20.215 ( -4.831 -2.396 -5.360) 7.603 23.115 ( 0.170 3.376 2.349) 4.116 23.208 ( 0.329 -5.241 2.713) 5.911 23.627 ( 3.600 2.641 -2.262) 5.005 23.661 ( 4.736 0.122 -4.899) 6.815 24.018 ( -3.772 6.476 2.205) 7.811 24.122 ( -0.815 -2.244 -1.150) 2.650 24.267 ( 2.855 3.868 -5.142) 7.040 24.315 ( 0.498 0.077 -2.145) 2.203 24.484 ( 3.208 -0.267 -1.190) 3.432 24.515 ( -0.942 -2.740 0.621) 2.963 24.719 ( -2.942 4.614 -4.967) 7.390 24.838 ( -5.625 -5.686 -4.141) 9.006 25.115 ( 4.495 0.256 2.086) 4.962 25.132 ( 2.508 -1.104 3.862) 4.735 25.477 ( -4.916 1.944 3.996) 6.626 25.551 ( -5.288 -4.417 2.348) 7.279 26.065 ( 1.295 2.361 -1.861) 3.273 26.132 ( -2.990 -3.497 -0.863) 4.681 26.606 ( 2.023 8.955 -2.425) 9.496 26.786 ( 1.513 -7.394 -3.698) 8.404 26.905 ( 7.826 1.881 2.172) 8.337 26.947 ( 8.685 -2.125 1.052) 9.003 27.419 ( -5.246 6.021 1.758) 8.177 27.546 ( -5.701 -5.246 0.378) 7.757 33.742 ( -4.179 4.071 0.558) 5.861 33.847 ( -3.907 -5.561 0.383) 6.807 34.334 ( -0.329 4.087 1.757) 4.461 34.413 ( 1.595 -2.597 2.027) 3.660 34.596 ( -5.517 3.446 4.796) 8.082 34.689 ( -4.477 -4.379 6.013) 8.682 35.448 ( 4.088 3.037 -4.848) 7.031 35.530 ( 5.247 -4.412 -4.022) 7.948 35.948 ( 9.452 8.443 -4.168) 13.341 36.083 ( 5.724 -2.120 -9.120) 10.974 36.424 ( 12.017 1.828 2.559) 12.422 36.528 ( 10.000 -6.133 1.529) 11.830 37.964 ( -1.174 4.202 1.069) 4.492 38.074 ( -3.237 -5.682 1.411) 6.690 38.677 ( 9.456 1.968 5.424) 11.077 38.726 ( 8.921 -2.293 5.380) 10.667 38.854 ( -1.021 3.181 0.156) 3.345 38.922 ( -2.118 -2.978 -0.506) 3.689 39.193 ( -0.461 5.423 -5.763) 7.926 39.294 ( 1.686 -3.385 -6.401) 7.435 39.499 ( -8.087 1.623 -0.819) 8.288 39.519 ( -5.403 0.376 0.210) 5.420 39.896 ( -12.234 0.357 1.995) 12.401 39.933 ( -12.014 -2.504 0.052) 12.272 77.062 ( 1.943 0.527 -1.618) 2.583 77.089 ( 2.178 -2.051 -0.867) 3.115 78.064 ( 17.065 4.227 0.881) 17.603 78.157 ( 17.350 -4.488 5.332) 18.697 78.611 ( 6.003 1.638 12.450) 13.918 78.660 ( 2.101 -2.973 13.667) 14.144 79.458 ( -16.286 13.959 -6.010) 22.275 79.709 ( -6.387 -7.584 4.555) 10.911 80.205 ( -7.276 15.166 6.530) 18.044 80.579 ( -28.285 -18.710 -13.068) 36.344 81.108 ( -2.986 8.710 4.777) 10.373 81.324 ( -12.498 -8.196 1.274) 14.999 81.852 ( -3.549 3.696 -8.893) 10.263 81.978 ( -0.153 -8.184 -16.030) 17.999 82.837 ( -15.597 5.984 -0.205) 16.707 82.993 ( -14.807 -7.789 -3.821) 17.161 83.438 ( 2.534 12.885 -27.158) 30.166 83.664 ( 1.716 -7.668 -27.487) 28.588 84.293 ( -1.652 15.368 0.948) 15.486 84.627 ( -2.090 -13.757 1.650) 14.013 86.371 ( 14.099 2.682 41.017) 43.455 86.469 ( 9.486 -6.092 37.236) 38.905 89.459 ( 5.752 7.465 -0.965) 9.473 89.632 ( 6.167 -7.904 -6.523) 11.961 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 2.344 0.000 18.300) 18.450 1.018 ( -7.423 0.000 22.917) 24.089 1.653 ( -7.187 0.000 -8.701) 11.285 1.973 ( 17.738 0.000 21.851) 28.144 2.172 ( -6.076 0.000 5.327) 8.081 2.251 ( 4.315 0.000 -17.894) 18.407 2.278 ( 15.445 0.000 34.453) 37.757 2.401 ( 11.782 0.000 10.880) 16.037 2.833 ( 5.923 0.000 7.267) 9.375 2.923 ( 1.007 0.000 -12.092) 12.134 3.316 ( -4.874 0.000 -1.443) 5.083 3.355 ( -1.611 0.000 -8.699) 8.847 3.454 ( -7.560 0.000 -3.547) 8.351 3.540 ( -0.334 0.000 1.071) 1.122 3.684 ( -6.468 0.000 -19.578) 20.618 3.726 ( -1.008 0.000 -3.572) 3.712 4.385 ( -4.250 0.000 4.439) 6.146 4.614 ( 6.660 0.000 5.259) 8.486 5.323 ( -13.906 0.000 1.121) 13.951 5.421 ( 1.066 0.000 3.730) 3.879 5.476 ( 3.883 0.000 -11.201) 11.855 5.653 ( -0.756 0.000 2.961) 3.056 5.702 ( -2.076 0.000 0.753) 2.208 5.713 ( -1.288 0.000 -7.480) 7.590 5.984 ( -11.367 0.000 -1.806) 11.509 6.108 ( 1.311 0.000 4.937) 5.108 6.135 ( 1.753 0.000 -2.332) 2.918 6.378 ( 7.121 0.000 -10.274) 12.501 6.680 ( -0.797 0.000 1.522) 1.718 6.833 ( -0.696 0.000 -3.127) 3.204 7.120 ( 2.492 0.000 4.074) 4.776 7.292 ( -6.908 0.000 -2.733) 7.429 7.488 ( 0.233 0.000 4.789) 4.795 7.656 ( 0.464 0.000 -3.660) 3.689 8.260 ( 2.611 0.000 7.624) 8.059 8.268 ( 0.295 0.000 2.264) 2.283 8.589 ( 3.196 0.000 -0.585) 3.249 8.601 ( 1.556 0.000 3.919) 4.217 8.725 ( -3.854 0.000 5.276) 6.533 9.161 ( 3.020 0.000 -13.919) 14.243 9.401 ( 9.931 0.000 5.395) 11.302 9.635 ( -10.919 0.000 -4.238) 11.713 9.655 ( 9.826 0.000 1.099) 9.888 9.789 ( -4.188 0.000 -1.749) 4.539 9.802 ( 1.703 0.000 -12.183) 12.301 10.018 ( 1.867 0.000 -2.180) 2.870 10.124 ( -15.501 0.000 0.217) 15.502 10.202 ( 1.523 0.000 -10.021) 10.136 11.392 ( 10.168 0.000 11.163) 15.099 11.684 ( 0.479 0.000 -0.999) 1.108 11.998 ( 1.402 0.000 4.946) 5.141 12.234 ( -1.426 0.000 12.823) 12.902 12.601 ( -10.692 0.000 1.561) 10.805 12.730 ( -11.647 0.000 6.620) 13.397 13.027 ( 7.455 0.000 -6.478) 9.877 13.331 ( 4.262 0.000 -15.675) 16.244 13.570 ( 1.304 0.000 11.793) 11.865 14.240 ( 8.607 0.000 -15.812) 18.003 14.315 ( 6.652 0.000 11.945) 13.673 14.704 ( -3.194 0.000 -6.498) 7.241 17.403 ( 0.330 0.000 3.425) 3.441 17.543 ( 0.027 0.000 -0.953) 0.953 17.893 ( -4.895 0.000 0.389) 4.910 17.905 ( 5.786 0.000 -2.139) 6.168 18.037 ( -0.567 0.000 -1.315) 1.433 18.122 ( 3.300 0.000 0.217) 3.307 18.251 ( 8.190 0.000 -3.936) 9.087 18.372 ( -9.823 0.000 -3.017) 10.276 18.581 ( -0.836 0.000 1.919) 2.093 18.644 ( 5.860 0.000 2.416) 6.339 18.680 ( -3.816 0.000 -1.407) 4.067 18.735 ( -2.248 0.000 -1.840) 2.905 19.017 ( -1.345 0.000 5.571) 5.731 19.156 ( -6.769 0.000 3.603) 7.668 19.170 ( 5.568 0.000 3.170) 6.407 19.232 ( 9.330 0.000 -2.799) 9.741 19.444 ( -5.748 0.000 4.324) 7.193 19.549 ( -1.852 0.000 -2.790) 3.349 19.586 ( -0.286 0.000 7.152) 7.158 19.646 ( -2.716 0.000 8.537) 8.959 19.768 ( 4.684 0.000 3.241) 5.696 19.939 ( -2.756 0.000 -7.434) 7.929 20.100 ( 0.883 0.000 -2.451) 2.606 20.261 ( -1.293 0.000 -7.395) 7.507 23.113 ( -0.038 0.000 3.334) 3.335 23.270 ( -0.676 0.000 -3.979) 4.036 23.607 ( 1.560 0.000 4.496) 4.759 23.610 ( -0.576 0.000 3.290) 3.340 23.708 ( 0.078 0.000 4.286) 4.287 23.920 ( 2.478 0.000 -4.498) 5.135 24.199 ( -3.995 0.000 -1.573) 4.293 24.229 ( -2.619 0.000 -2.037) 3.318 24.463 ( -2.944 0.000 -0.213) 2.952 24.521 ( 4.283 0.000 -2.604) 5.013 24.679 ( 7.086 0.000 -0.592) 7.110 24.775 ( -5.576 0.000 -4.126) 6.937 25.161 ( -3.272 0.000 1.837) 3.752 25.214 ( 4.877 0.000 -0.365) 4.891 25.515 ( -5.389 0.000 3.373) 6.357 25.555 ( -5.872 0.000 0.810) 5.928 26.066 ( -3.416 0.000 -1.877) 3.898 26.100 ( 9.329 0.000 -2.892) 9.767 26.504 ( 1.769 0.000 6.663) 6.894 26.855 ( 0.440 0.000 -8.565) 8.577 27.015 ( -3.336 0.000 4.178) 5.346 27.155 ( -3.602 0.000 6.486) 7.419 27.178 ( 8.490 0.000 -3.843) 9.319 27.431 ( -7.165 0.000 -5.107) 8.799 33.784 ( 5.885 0.000 8.341) 10.208 34.083 ( 1.035 0.000 1.755) 2.037 34.087 ( -2.918 0.000 -2.779) 4.029 34.296 ( -6.680 0.000 -9.984) 12.013 34.690 ( 0.368 0.000 15.163) 15.168 34.940 ( -4.689 0.000 12.128) 13.003 35.273 ( 2.490 0.000 -9.989) 10.295 35.627 ( 1.094 0.000 -18.509) 18.541 35.945 ( 7.231 0.000 7.380) 10.332 36.052 ( 9.621 0.000 10.265) 14.069 36.354 ( -6.452 0.000 -11.503) 13.189 36.532 ( -9.301 0.000 -11.667) 14.920 38.224 ( 8.936 0.000 8.997) 12.681 38.422 ( 10.312 0.000 8.316) 13.248 38.578 ( -11.181 0.000 -7.274) 13.339 38.677 ( -15.897 0.000 -4.425) 16.502 38.870 ( 1.286 0.000 5.943) 6.080 39.073 ( 6.251 0.000 -0.335) 6.260 39.211 ( 8.016 0.000 4.830) 9.358 39.217 ( 2.892 0.000 -0.703) 2.977 39.360 ( -6.876 0.000 2.652) 7.370 39.477 ( 10.402 0.000 1.708) 10.541 39.626 ( -13.088 0.000 -2.486) 13.322 39.717 ( -0.249 0.000 -7.342) 7.346 77.323 ( 17.441 0.000 10.206) 20.207 77.700 ( 26.741 0.000 10.485) 28.723 77.858 ( -29.569 0.000 -14.970) 33.143 78.094 ( -21.183 0.000 -5.943) 22.001 78.826 ( 30.433 0.000 5.987) 31.016 78.937 ( -9.051 0.000 18.852) 20.912 79.408 ( 26.064 0.000 10.472) 28.090 79.539 ( -36.774 0.000 -12.377) 38.801 79.864 ( -13.979 0.000 9.939) 17.152 80.556 ( 16.961 0.000 5.271) 17.761 80.973 ( -9.412 0.000 -15.685) 18.292 81.267 ( 2.466 0.000 -48.489) 48.551 81.494 ( 20.846 0.000 5.603) 21.586 81.922 ( 4.253 0.000 13.568) 14.219 82.192 ( -21.015 0.000 -3.018) 21.231 82.839 ( -3.367 0.000 -5.960) 6.845 83.172 ( 10.100 0.000 11.932) 15.633 83.673 ( 4.013 0.000 14.295) 14.848 83.718 ( -4.628 0.000 -8.792) 9.936 84.554 ( -13.154 0.000 -17.486) 21.881 87.601 ( -1.523 0.000 48.403) 48.427 88.996 ( 35.937 0.000 -13.826) 38.505 89.274 ( -15.781 0.000 1.268) 15.832 89.562 ( 18.315 0.000 -15.589) 24.051 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 12.922 0.000 16.447) 20.916 1.152 ( 9.842 0.000 22.455) 24.517 1.569 ( 3.429 0.000 -12.149) 12.623 2.085 ( -3.753 0.000 1.969) 4.238 2.289 ( 4.502 0.000 -14.096) 14.797 2.314 ( 12.042 0.000 9.677) 15.449 2.519 ( 4.749 0.000 -8.200) 9.476 2.736 ( 13.338 0.000 26.335) 29.520 2.911 ( 2.808 0.000 -4.362) 5.188 3.154 ( 9.892 0.000 17.938) 20.485 3.176 ( -3.788 0.000 2.333) 4.449 3.229 ( -3.915 0.000 -18.224) 18.640 3.338 ( -11.109 0.000 -25.267) 27.601 3.360 ( -2.788 0.000 -1.146) 3.014 3.598 ( -1.640 0.000 0.207) 1.653 3.637 ( -5.910 0.000 -4.756) 7.587 4.397 ( 3.695 0.000 11.944) 12.503 4.715 ( 3.297 0.000 1.037) 3.456 4.928 ( -21.597 0.000 -5.576) 22.305 5.360 ( -14.611 0.000 2.449) 14.815 5.476 ( -0.818 0.000 8.657) 8.696 5.672 ( 0.005 0.000 -0.803) 0.803 5.681 ( 1.406 0.000 4.120) 4.354 5.786 ( 7.052 0.000 -3.150) 7.724 5.824 ( 1.926 0.000 -9.614) 9.805 6.143 ( 0.400 0.000 4.245) 4.264 6.177 ( 2.008 0.000 0.914) 2.207 6.367 ( -4.658 0.000 -3.042) 5.563 6.779 ( 9.368 0.000 -0.727) 9.396 6.817 ( 0.289 0.000 -3.253) 3.266 7.215 ( -0.325 0.000 -1.420) 1.457 7.226 ( 6.104 0.000 6.519) 8.931 7.513 ( 0.567 0.000 4.642) 4.676 7.625 ( -1.996 0.000 -4.716) 5.121 8.235 ( -4.212 0.000 2.487) 4.891 8.280 ( -3.691 0.000 2.192) 4.293 8.560 ( -4.108 0.000 -1.763) 4.470 8.611 ( -4.626 0.000 4.642) 6.553 8.713 ( 4.114 0.000 3.976) 5.721 9.151 ( -2.202 0.000 -9.125) 9.387 9.296 ( -10.711 0.000 -3.089) 11.148 9.600 ( 4.187 0.000 -8.188) 9.196 9.620 ( -10.372 0.000 -7.976) 13.084 9.825 ( 0.832 0.000 3.065) 3.176 9.893 ( 17.045 0.000 -0.363) 17.049 10.042 ( 0.242 0.000 -12.144) 12.146 10.094 ( 6.751 0.000 5.786) 8.891 10.338 ( 14.913 0.000 3.275) 15.268 11.640 ( -3.997 0.000 -9.668) 10.462 11.661 ( 13.655 0.000 6.873) 15.287 12.083 ( 6.426 0.000 8.085) 10.327 12.273 ( 1.136 0.000 7.274) 7.362 12.362 ( -12.543 0.000 3.579) 13.044 12.551 ( -10.784 0.000 16.203) 19.464 13.182 ( 9.375 0.000 -7.080) 11.748 13.321 ( 0.103 0.000 -14.790) 14.791 13.546 ( -7.692 0.000 9.886) 12.525 14.189 ( -5.934 0.000 -19.384) 20.272 14.392 ( -2.882 0.000 9.959) 10.368 14.520 ( -11.817 0.000 -9.206) 14.979 17.433 ( 0.625 0.000 3.513) 3.568 17.570 ( 3.217 0.000 -1.368) 3.496 17.804 ( -3.723 0.000 -2.061) 4.256 17.890 ( -11.672 0.000 -4.378) 12.466 17.995 ( 3.404 0.000 2.251) 4.082 18.050 ( -4.524 0.000 -2.736) 5.287 18.253 ( -0.244 0.000 -5.756) 5.762 18.413 ( 0.212 0.000 8.231) 8.234 18.554 ( -2.699 0.000 0.366) 2.724 18.620 ( -0.350 0.000 -3.018) 3.039 18.754 ( 3.820 0.000 2.937) 4.819 18.829 ( 11.662 0.000 -0.723) 11.685 18.952 ( -3.273 0.000 2.241) 3.967 19.091 ( -1.037 0.000 3.350) 3.506 19.313 ( -7.068 0.000 2.318) 7.439 19.351 ( 9.834 0.000 3.409) 10.408 19.433 ( 10.295 0.000 -5.096) 11.487 19.565 ( 2.564 0.000 4.201) 4.921 19.597 ( -0.662 0.000 6.228) 6.263 19.643 ( -1.637 0.000 6.221) 6.433 19.849 ( -3.515 0.000 -6.612) 7.488 19.868 ( 3.491 0.000 2.893) 4.534 20.131 ( 2.326 0.000 1.512) 2.774 20.212 ( -0.105 0.000 -10.765) 10.765 23.135 ( 0.806 0.000 3.508) 3.599 23.258 ( 0.887 0.000 -3.546) 3.655 23.588 ( -2.269 0.000 1.117) 2.529 23.603 ( -2.713 0.000 4.660) 5.392 23.794 ( 5.900 0.000 1.970) 6.220 23.966 ( 3.420 0.000 -4.048) 5.300 24.108 ( -4.080 0.000 0.900) 4.178 24.172 ( -2.331 0.000 -0.008) 2.331 24.415 ( -1.588 0.000 -1.367) 2.096 24.511 ( -3.895 0.000 -1.316) 4.112 24.780 ( 7.610 0.000 -6.804) 10.208 24.837 ( 7.757 0.000 2.238) 8.073 25.154 ( 1.803 0.000 0.709) 1.938 25.326 ( 5.929 0.000 0.249) 5.934 25.418 ( -4.925 0.000 6.911) 8.486 25.448 ( -5.239 0.000 1.561) 5.467 26.016 ( -1.161 0.000 -4.521) 4.668 26.265 ( 7.202 0.000 -1.043) 7.277 26.513 ( -3.390 0.000 3.748) 5.054 26.777 ( -3.653 0.000 -9.943) 10.593 26.916 ( -5.334 0.000 4.000) 6.668 27.172 ( -0.122 0.000 11.264) 11.264 27.264 ( -7.401 0.000 -5.162) 9.024 27.349 ( 8.910 0.000 -2.621) 9.288 33.992 ( 11.350 0.000 9.865) 15.038 34.015 ( -2.271 0.000 -6.692) 7.067 34.145 ( 4.692 0.000 2.644) 5.386 34.193 ( -0.980 0.000 -5.532) 5.618 34.742 ( -0.467 0.000 13.783) 13.791 34.896 ( -4.218 0.000 13.392) 14.041 35.264 ( 0.093 0.000 -10.837) 10.838 35.560 ( -2.066 0.000 -15.007) 15.148 36.030 ( -1.655 0.000 8.802) 8.957 36.070 ( -16.405 0.000 -12.658) 20.721 36.210 ( 1.692 0.000 10.683) 10.816 36.230 ( -14.724 0.000 -12.960) 19.616 38.289 ( -13.726 0.000 -6.360) 15.127 38.359 ( -13.234 0.000 -4.454) 13.964 38.361 ( 1.806 0.000 9.363) 9.536 38.642 ( 5.310 0.000 13.501) 14.507 38.994 ( 10.445 0.000 2.434) 10.725 39.161 ( 4.095 0.000 -4.853) 6.350 39.184 ( -5.340 0.000 -4.195) 6.791 39.217 ( -2.505 0.000 -0.890) 2.658 39.393 ( -6.025 0.000 -3.515) 6.975 39.547 ( 13.786 0.000 8.645) 16.273 39.662 ( 10.847 0.000 -2.719) 11.183 39.903 ( 15.417 0.000 -1.115) 15.457 77.323 ( -19.104 0.000 -9.974) 21.551 77.595 ( -22.850 0.000 -7.858) 24.164 77.753 ( 19.055 0.000 17.140) 25.630 78.223 ( 18.599 0.000 8.390) 20.404 78.493 ( -28.757 0.000 -8.523) 29.993 79.182 ( -0.309 0.000 20.504) 20.506 79.571 ( 35.151 0.000 6.728) 35.789 79.596 ( -16.679 0.000 6.849) 18.031 79.924 ( 24.933 0.000 3.972) 25.247 80.723 ( -2.332 0.000 5.553) 6.023 80.725 ( -6.760 0.000 -16.740) 18.054 81.157 ( 3.099 0.000 -38.519) 38.643 81.734 ( -7.508 0.000 -17.783) 19.303 82.034 ( 24.837 0.000 6.143) 25.585 82.526 ( 29.414 0.000 20.578) 35.898 82.757 ( 1.723 0.000 -11.241) 11.372 83.437 ( 12.117 0.000 12.916) 17.710 83.491 ( -8.306 0.000 -13.928) 16.216 83.911 ( 7.135 0.000 25.140) 26.133 84.212 ( -14.945 0.000 -18.380) 23.690 87.711 ( -3.550 0.000 43.465) 43.610 88.773 ( -33.111 0.000 -8.891) 34.283 89.110 ( -2.027 0.000 -32.191) 32.254 89.806 ( 2.228 0.000 -11.506) 11.720 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 14.546 0.000 12.607) 19.250 1.394 ( 5.682 0.000 13.076) 14.257 1.753 ( 19.623 0.000 -12.583) 23.311 2.046 ( -0.313 0.000 -0.962) 1.012 2.267 ( -1.518 0.000 -15.417) 15.492 2.489 ( 1.103 0.000 0.895) 1.421 2.664 ( 13.615 0.000 -13.758) 19.356 2.811 ( -5.976 0.000 -18.442) 19.386 2.918 ( 3.072 0.000 -11.202) 11.616 2.935 ( -14.145 0.000 -22.864) 26.886 2.969 ( -11.034 0.000 -1.736) 11.169 3.239 ( 1.402 0.000 8.508) 8.623 3.368 ( 3.242 0.000 3.733) 4.945 3.484 ( -2.070 0.000 5.580) 5.952 3.505 ( -2.498 0.000 0.120) 2.501 3.610 ( 9.757 0.000 12.619) 15.951 4.474 ( -16.813 0.000 -9.954) 19.539 4.635 ( 9.715 0.000 23.008) 24.975 4.725 ( -5.752 0.000 -0.447) 5.769 5.079 ( -9.771 0.000 5.709) 11.317 5.448 ( -4.486 0.000 8.982) 10.040 5.690 ( -0.363 0.000 -2.950) 2.972 5.705 ( 2.375 0.000 2.243) 3.267 5.844 ( 4.559 0.000 3.361) 5.664 6.024 ( 11.831 0.000 -2.587) 12.111 6.128 ( -7.473 0.000 -3.058) 8.074 6.158 ( -0.012 0.000 2.461) 2.461 6.315 ( -0.086 0.000 8.838) 8.838 6.822 ( 1.228 0.000 -2.427) 2.720 6.959 ( 7.747 0.000 -2.010) 8.004 7.260 ( 5.622 0.000 -2.203) 6.038 7.381 ( 5.533 0.000 9.466) 10.965 7.540 ( 0.632 0.000 3.337) 3.396 7.550 ( -3.795 0.000 -2.824) 4.731 8.127 ( -6.937 0.000 0.615) 6.964 8.135 ( -9.316 0.000 -4.102) 10.179 8.483 ( -1.592 0.000 -5.671) 5.891 8.558 ( 0.198 0.000 -0.028) 0.200 8.819 ( 1.965 0.000 9.843) 10.037 9.019 ( -8.053 0.000 -2.417) 8.408 9.186 ( -1.747 0.000 -3.471) 3.886 9.386 ( -9.103 0.000 -4.341) 10.085 9.594 ( 2.728 0.000 -18.566) 18.765 9.837 ( -0.389 0.000 6.590) 6.602 9.951 ( -0.420 0.000 -19.687) 19.692 10.243 ( 5.072 0.000 6.384) 8.153 10.325 ( 17.501 0.000 3.184) 17.789 10.741 ( 22.709 0.000 10.463) 25.003 11.462 ( -8.064 0.000 -14.231) 16.357 11.933 ( 12.498 0.000 -1.321) 12.567 12.137 ( -6.727 0.000 -7.848) 10.336 12.348 ( 15.942 0.000 10.432) 19.052 12.351 ( -2.043 0.000 22.579) 22.671 12.444 ( -5.630 0.000 20.864) 21.610 13.183 ( -5.480 0.000 -14.212) 15.232 13.355 ( -13.763 0.000 6.102) 15.056 13.366 ( 8.742 0.000 -7.114) 11.271 13.921 ( -12.898 0.000 -19.358) 23.262 14.214 ( -14.442 0.000 -12.005) 18.780 14.290 ( -9.922 0.000 7.605) 12.501 17.437 ( -1.503 0.000 2.050) 2.542 17.597 ( -5.811 0.000 -5.709) 8.146 17.699 ( 0.711 0.000 -0.208) 0.741 17.742 ( -1.113 0.000 -3.730) 3.892 17.944 ( -5.688 0.000 -0.264) 5.694 18.047 ( -0.307 0.000 -0.489) 0.578 18.263 ( 2.781 0.000 1.788) 3.306 18.376 ( -4.414 0.000 8.784) 9.831 18.520 ( -0.209 0.000 -1.018) 1.039 18.614 ( -0.345 0.000 2.360) 2.385 18.871 ( 5.722 0.000 3.815) 6.877 18.913 ( 1.030 0.000 -1.958) 2.213 19.105 ( 1.248 0.000 -0.107) 1.253 19.117 ( 14.002 0.000 2.841) 14.288 19.188 ( -5.586 0.000 3.377) 6.528 19.526 ( 2.469 0.000 2.849) 3.770 19.582 ( 3.915 0.000 -8.629) 9.476 19.587 ( -0.217 0.000 0.549) 0.590 19.611 ( 1.778 0.000 7.697) 7.900 19.643 ( 1.240 0.000 1.128) 1.676 19.776 ( -1.110 0.000 -2.438) 2.679 19.938 ( 3.380 0.000 1.588) 3.734 20.182 ( 0.537 0.000 -8.161) 8.179 20.182 ( 1.291 0.000 4.019) 4.221 23.158 ( -0.115 0.000 4.211) 4.213 23.277 ( 2.216 0.000 -3.305) 3.980 23.536 ( -2.870 0.000 -0.594) 2.931 23.558 ( -3.221 0.000 3.094) 4.467 23.888 ( 2.665 0.000 -1.340) 2.983 24.003 ( 1.448 0.000 -5.116) 5.317 24.102 ( 2.895 0.000 6.674) 7.275 24.161 ( 1.009 0.000 4.071) 4.194 24.391 ( -0.105 0.000 -3.294) 3.295 24.436 ( -2.722 0.000 -1.080) 2.929 24.941 ( 10.552 0.000 -8.305) 13.428 24.967 ( 4.472 0.000 0.806) 4.544 25.180 ( -0.853 0.000 2.491) 2.633 25.319 ( -6.976 0.000 6.936) 9.838 25.419 ( 2.570 0.000 5.890) 6.426 25.482 ( 8.403 0.000 -5.494) 10.040 25.996 ( 1.367 0.000 -2.311) 2.685 26.316 ( -3.518 0.000 0.553) 3.561 26.396 ( -7.813 0.000 -2.692) 8.263 26.691 ( -0.278 0.000 -9.204) 9.208 26.853 ( -3.805 0.000 6.753) 7.751 27.106 ( -6.224 0.000 -5.846) 8.539 27.213 ( -0.203 0.000 13.934) 13.936 27.504 ( 7.546 0.000 -2.451) 7.934 33.986 ( 2.369 0.000 -6.404) 6.828 34.188 ( 1.303 0.000 -2.497) 2.816 34.258 ( 11.037 0.000 3.107) 11.466 34.314 ( 11.855 0.000 9.187) 14.998 34.772 ( -0.856 0.000 11.503) 11.534 34.878 ( -2.936 0.000 15.570) 15.844 35.170 ( -6.828 0.000 -9.911) 12.036 35.412 ( -9.631 0.000 -6.720) 11.744 35.698 ( -14.009 0.000 -13.994) 19.801 35.940 ( -10.443 0.000 6.893) 12.513 35.943 ( -7.348 0.000 -15.482) 17.137 36.177 ( -8.144 0.000 6.837) 10.633 38.041 ( -8.044 0.000 -3.993) 8.981 38.182 ( -3.900 0.000 0.554) 3.939 38.386 ( -2.185 0.000 8.351) 8.632 38.716 ( -1.327 0.000 12.273) 12.344 39.044 ( -3.877 0.000 -5.617) 6.825 39.139 ( -3.232 0.000 -3.153) 4.516 39.225 ( 3.516 0.000 -6.014) 6.967 39.236 ( -3.282 0.000 -3.410) 4.733 39.316 ( 12.501 0.000 -2.383) 12.727 39.867 ( 10.075 0.000 -4.115) 10.883 39.887 ( 14.650 0.000 10.889) 18.254 40.197 ( 13.576 0.000 0.122) 13.576 77.039 ( -7.667 0.000 -4.415) 8.847 77.204 ( -13.473 0.000 -4.645) 14.251 77.828 ( -21.526 0.000 -11.618) 24.461 78.133 ( 6.642 0.000 15.600) 16.955 78.674 ( 13.789 0.000 18.866) 23.368 79.257 ( -15.013 0.000 -7.021) 16.574 79.478 ( 18.068 0.000 37.549) 41.670 79.974 ( 5.480 0.000 -15.425) 16.369 80.322 ( 12.290 0.000 -9.840) 15.744 80.619 ( -8.344 0.000 7.699) 11.354 80.896 ( 28.073 0.000 -0.998) 28.091 81.139 ( 10.021 0.000 -21.820) 24.011 81.687 ( 7.961 0.000 -13.996) 16.102 82.256 ( -0.473 0.000 -6.892) 6.908 82.841 ( 0.139 0.000 -4.671) 4.673 83.053 ( 16.072 0.000 7.865) 17.893 83.442 ( 12.275 0.000 -0.925) 12.310 83.751 ( 12.652 0.000 12.575) 17.838 83.842 ( -13.666 0.000 -16.233) 21.220 84.133 ( 5.545 0.000 28.350) 28.887 87.671 ( -23.030 0.000 -5.051) 23.578 88.093 ( -19.528 0.000 19.270) 27.435 88.841 ( -12.308 0.000 -36.493) 38.512 89.650 ( -10.430 0.000 -6.868) 12.488 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 5.652 0.000 1.411) 5.826 1.674 ( 10.036 0.000 3.919) 10.775 2.041 ( -2.286 0.000 -11.905) 12.123 2.078 ( 3.816 0.000 -17.761) 18.167 2.156 ( 1.980 0.000 -19.583) 19.683 2.296 ( -0.493 0.000 -18.564) 18.571 2.598 ( -14.242 0.000 -5.648) 15.321 2.690 ( -2.495 0.000 -3.216) 4.070 2.792 ( -3.508 0.000 -4.160) 5.442 2.920 ( 14.163 0.000 -10.782) 17.800 2.959 ( 0.862 0.000 -7.862) 7.909 3.230 ( -5.235 0.000 -3.809) 6.474 3.262 ( -4.124 0.000 -3.321) 5.295 3.352 ( -9.051 0.000 1.799) 9.228 3.683 ( 9.805 0.000 11.008) 14.742 3.850 ( 6.887 0.000 11.007) 12.984 4.194 ( -5.860 0.000 -3.140) 6.649 4.471 ( -14.818 0.000 -0.338) 14.822 4.966 ( 13.155 0.000 19.721) 23.706 5.097 ( 5.729 0.000 6.889) 8.960 5.378 ( -5.835 0.000 8.446) 10.266 5.670 ( -0.079 0.000 -5.264) 5.264 5.761 ( 1.714 0.000 4.623) 4.931 5.942 ( 3.261 0.000 3.832) 5.032 5.960 ( -8.312 0.000 5.715) 10.087 6.161 ( -0.270 0.000 0.567) 0.628 6.223 ( 7.891 0.000 2.451) 8.263 6.353 ( -0.017 0.000 6.834) 6.834 6.844 ( 1.688 0.000 -1.459) 2.231 7.034 ( 1.163 0.000 -4.192) 4.350 7.413 ( 9.365 0.000 -1.338) 9.460 7.445 ( -2.972 0.000 7.497) 8.065 7.482 ( -1.331 0.000 -1.170) 1.772 7.560 ( -0.777 0.000 3.530) 3.615 7.948 ( -6.789 0.000 -4.683) 8.248 8.005 ( -3.719 0.000 -2.288) 4.366 8.475 ( 3.235 0.000 -6.107) 6.911 8.611 ( 4.360 0.000 0.609) 4.402 8.815 ( -4.723 0.000 1.068) 4.842 8.851 ( -7.883 0.000 -0.330) 7.889 9.142 ( -1.620 0.000 -1.891) 2.490 9.275 ( -2.721 0.000 3.917) 4.770 9.591 ( 3.567 0.000 -17.934) 18.285 9.867 ( 0.484 0.000 8.734) 8.748 9.891 ( 2.126 0.000 -22.048) 22.151 10.353 ( 4.004 0.000 9.433) 10.248 10.480 ( -1.264 0.000 -5.491) 5.635 11.212 ( 8.734 0.000 -0.913) 8.782 11.327 ( 8.828 0.000 0.675) 8.854 12.079 ( 1.998 0.000 -1.585) 2.551 12.157 ( 11.040 0.000 -4.392) 11.881 12.346 ( -2.649 0.000 25.951) 26.085 12.499 ( 0.916 0.000 21.428) 21.447 12.635 ( 4.563 0.000 3.545) 5.778 13.003 ( -5.530 0.000 -11.041) 12.349 13.093 ( -13.416 0.000 3.727) 13.924 13.488 ( 2.187 0.000 -13.383) 13.560 13.655 ( 0.396 0.000 -12.226) 12.233 13.889 ( -13.341 0.000 -14.305) 19.561 14.089 ( -12.034 0.000 4.938) 13.007 17.384 ( -3.383 0.000 -2.595) 4.264 17.432 ( -5.535 0.000 -6.699) 8.690 17.751 ( 3.241 0.000 -2.468) 4.074 17.789 ( 5.067 0.000 1.105) 5.186 17.836 ( -5.619 0.000 3.749) 6.755 17.972 ( -5.100 0.000 -3.032) 5.933 18.331 ( -3.640 0.000 8.782) 9.506 18.367 ( 2.838 0.000 8.098) 8.581 18.525 ( 2.285 0.000 -1.176) 2.570 18.641 ( 2.677 0.000 0.675) 2.760 18.939 ( 0.558 0.000 6.777) 6.800 18.983 ( 4.455 0.000 3.257) 5.518 19.092 ( -1.397 0.000 -6.045) 6.204 19.182 ( 2.436 0.000 9.185) 9.502 19.341 ( 2.050 0.000 -7.106) 7.395 19.413 ( -3.494 0.000 -2.588) 4.348 19.550 ( -2.638 0.000 -4.429) 5.155 19.644 ( 2.526 0.000 -2.091) 3.279 19.677 ( 1.237 0.000 0.931) 1.549 19.681 ( 4.103 0.000 -1.849) 4.501 19.807 ( 2.142 0.000 6.238) 6.595 20.016 ( 3.394 0.000 1.832) 3.857 20.175 ( 0.676 0.000 -2.645) 2.730 20.202 ( -0.519 0.000 3.268) 3.309 23.159 ( -1.405 0.000 5.102) 5.292 23.319 ( 3.014 0.000 -2.939) 4.210 23.484 ( -1.669 0.000 -1.698) 2.381 23.500 ( -3.363 0.000 1.368) 3.631 23.917 ( 1.288 0.000 -0.734) 1.482 23.989 ( -0.801 0.000 -3.935) 4.016 24.223 ( 4.905 0.000 8.441) 9.763 24.226 ( 2.668 0.000 5.834) 6.415 24.387 ( 1.399 0.000 -5.052) 5.242 24.401 ( -0.324 0.000 -1.164) 1.208 25.025 ( 1.906 0.000 -0.944) 2.127 25.113 ( 8.627 0.000 -8.857) 12.364 25.143 ( -3.611 0.000 2.536) 4.413 25.201 ( -5.733 0.000 4.766) 7.455 25.496 ( 1.751 0.000 6.058) 6.306 25.645 ( 9.974 0.000 -6.644) 11.984 26.085 ( 7.817 0.000 1.173) 7.904 26.155 ( -10.651 0.000 -0.081) 10.651 26.231 ( -6.099 0.000 -6.366) 8.816 26.652 ( -4.119 0.000 -3.535) 5.428 26.790 ( -5.538 0.000 7.891) 9.640 27.008 ( 0.059 0.000 -9.006) 9.006 27.266 ( 0.212 0.000 15.051) 15.052 27.626 ( 5.633 0.000 -2.584) 6.198 34.070 ( 7.735 0.000 -3.403) 8.450 34.219 ( 2.254 0.000 0.831) 2.402 34.468 ( 8.738 0.000 0.011) 8.738 34.562 ( 5.012 0.000 2.180) 5.465 34.805 ( 0.340 0.000 10.406) 10.412 34.890 ( -1.611 0.000 16.123) 16.203 34.966 ( -5.970 0.000 1.116) 6.074 35.154 ( -12.132 0.000 -0.106) 12.132 35.504 ( -0.324 0.000 -16.069) 16.072 35.680 ( -16.522 0.000 1.262) 16.570 35.836 ( 1.357 0.000 -16.776) 16.831 35.967 ( -13.484 0.000 0.945) 13.517 37.975 ( 1.695 0.000 1.348) 2.165 38.193 ( 3.119 0.000 6.051) 6.807 38.336 ( -5.466 0.000 5.170) 7.523 38.712 ( -2.713 0.000 10.347) 10.697 38.958 ( -3.103 0.000 -5.804) 6.581 39.064 ( -2.847 0.000 -4.344) 5.194 39.115 ( -3.978 0.000 -9.609) 10.400 39.263 ( 2.526 0.000 -6.806) 7.260 39.575 ( 10.322 0.000 4.506) 11.263 39.999 ( 4.582 0.000 -5.476) 7.140 40.163 ( 9.160 0.000 9.945) 13.521 40.412 ( 7.866 0.000 -0.234) 7.870 76.933 ( -2.781 0.000 -1.748) 3.285 77.086 ( 1.947 0.000 4.060) 4.502 77.423 ( -14.661 0.000 -11.938) 18.907 78.201 ( -4.178 0.000 2.495) 4.866 78.843 ( -4.829 0.000 7.393) 8.830 79.057 ( -2.540 0.000 21.725) 21.873 79.847 ( -6.229 0.000 -22.754) 23.591 80.124 ( 28.445 0.000 42.383) 51.044 80.508 ( -4.682 0.000 6.817) 8.270 80.520 ( 13.121 0.000 -22.748) 26.261 81.052 ( 1.740 0.000 -20.440) 20.514 81.699 ( 32.135 0.000 1.956) 32.195 81.924 ( 20.273 0.000 -7.928) 21.768 82.148 ( -6.094 0.000 -1.632) 6.308 82.689 ( -8.588 0.000 -3.490) 9.270 83.206 ( -1.782 0.000 -7.030) 7.252 83.483 ( -11.244 0.000 -7.436) 13.481 83.799 ( 13.721 0.000 13.714) 19.399 84.081 ( 10.034 0.000 14.211) 17.396 84.309 ( 0.888 0.000 23.895) 23.912 86.838 ( -37.387 0.000 -31.245) 48.724 88.214 ( 9.282 0.000 34.078) 35.320 88.372 ( -20.559 0.000 -41.539) 46.348 89.445 ( -6.678 0.000 -7.728) 10.213 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -13.154 0.000 -21.131) 24.891 1.714 ( -1.866 0.000 -9.611) 9.790 1.793 ( 2.001 0.000 -5.190) 5.562 1.834 ( -5.612 0.000 -32.064) 32.551 2.206 ( -5.569 0.000 4.199) 6.975 2.388 ( 2.016 0.000 -2.054) 2.878 2.539 ( 2.334 0.000 -6.139) 6.568 2.647 ( 10.196 0.000 -4.227) 11.038 2.781 ( 2.372 0.000 -3.383) 4.132 2.823 ( -11.251 0.000 -4.894) 12.269 2.997 ( -11.795 0.000 -7.211) 13.825 3.134 ( 7.527 0.000 -3.982) 8.515 3.194 ( -4.005 0.000 1.378) 4.236 3.295 ( 4.193 0.000 -2.700) 4.987 3.896 ( 9.433 0.000 3.532) 10.073 3.942 ( 0.382 0.000 3.172) 3.195 4.236 ( 8.748 0.000 1.141) 8.822 4.258 ( -6.161 0.000 0.450) 6.178 5.154 ( -5.900 0.000 11.466) 12.895 5.278 ( 9.433 0.000 6.256) 11.319 5.360 ( 6.047 0.000 8.007) 10.034 5.649 ( 0.100 0.000 -6.717) 6.718 5.802 ( 1.489 0.000 4.584) 4.820 5.884 ( -3.347 0.000 15.814) 16.164 5.985 ( 0.408 0.000 -0.055) 0.411 6.147 ( -1.358 0.000 -0.642) 1.502 6.339 ( 1.855 0.000 8.042) 8.254 6.345 ( -2.758 0.000 3.333) 4.327 6.873 ( 1.358 0.000 -0.100) 1.362 6.997 ( -2.591 0.000 -5.004) 5.635 7.339 ( -8.580 0.000 3.425) 9.238 7.454 ( -0.444 0.000 0.390) 0.591 7.519 ( -3.290 0.000 0.925) 3.417 7.627 ( 11.289 0.000 -2.779) 11.626 7.865 ( -0.566 0.000 0.285) 0.633 7.974 ( 0.233 0.000 -2.291) 2.303 8.567 ( 7.736 0.000 -4.091) 8.751 8.679 ( -5.689 0.000 -8.141) 9.932 8.716 ( 4.912 0.000 1.542) 5.148 8.717 ( -5.569 0.000 -0.168) 5.572 9.103 ( -3.825 0.000 5.047) 6.333 9.256 ( -1.457 0.000 5.188) 5.389 9.596 ( 2.735 0.000 -15.933) 16.166 9.867 ( 3.160 0.000 -22.770) 22.988 9.923 ( 2.344 0.000 9.805) 10.081 10.353 ( -5.840 0.000 -8.190) 10.059 10.490 ( 5.711 0.000 13.807) 14.941 11.034 ( -11.987 0.000 -14.784) 19.033 11.713 ( 11.606 0.000 16.792) 20.412 12.084 ( -1.393 0.000 13.752) 13.823 12.261 ( -1.853 0.000 -6.370) 6.634 12.449 ( -17.606 0.000 -8.872) 19.715 12.523 ( 3.870 0.000 16.873) 17.312 12.664 ( 14.846 0.000 18.448) 23.680 12.901 ( -6.604 0.000 5.896) 8.853 12.955 ( 4.031 0.000 -5.340) 6.691 13.419 ( 2.620 0.000 -19.593) 19.767 13.591 ( -10.784 0.000 -16.208) 19.468 13.867 ( -11.436 0.000 0.636) 11.453 13.894 ( 18.432 0.000 -2.464) 18.596 17.318 ( -1.089 0.000 -4.651) 4.777 17.355 ( 0.137 0.000 -5.335) 5.337 17.746 ( -4.615 0.000 4.822) 6.674 17.825 ( -3.788 0.000 -3.625) 5.243 17.848 ( 6.216 0.000 -0.291) 6.223 17.919 ( 3.297 0.000 0.299) 3.311 18.292 ( -3.442 0.000 8.681) 9.338 18.345 ( -5.350 0.000 5.979) 8.023 18.661 ( 8.886 0.000 3.722) 9.634 18.711 ( 3.690 0.000 -0.209) 3.696 18.981 ( 0.279 0.000 11.886) 11.889 19.016 ( -1.152 0.000 -4.613) 4.755 19.118 ( 4.389 0.000 8.072) 9.188 19.153 ( -10.019 0.000 -9.930) 14.106 19.261 ( 1.901 0.000 2.681) 3.286 19.349 ( -5.131 0.000 -8.301) 9.759 19.460 ( -4.501 0.000 -5.108) 6.808 19.667 ( -2.293 0.000 1.651) 2.825 19.704 ( -0.076 0.000 -3.550) 3.551 19.809 ( 11.115 0.000 -1.788) 11.258 19.866 ( 1.403 0.000 6.459) 6.610 20.056 ( -0.765 0.000 2.564) 2.676 20.184 ( 0.315 0.000 1.282) 1.320 20.196 ( -0.492 0.000 -0.011) 0.492 23.144 ( -1.882 0.000 5.248) 5.575 23.370 ( 3.064 0.000 -2.084) 3.706 23.448 ( -1.981 0.000 0.767) 2.125 23.462 ( -0.006 0.000 -2.647) 2.647 23.926 ( -0.614 0.000 0.060) 0.617 23.954 ( -1.465 0.000 -1.495) 2.093 24.275 ( 0.569 0.000 3.630) 3.674 24.318 ( 1.458 0.000 7.462) 7.604 24.416 ( 3.512 0.000 -5.674) 6.673 24.418 ( 1.892 0.000 -0.515) 1.961 24.985 ( -6.798 0.000 -1.709) 7.009 25.055 ( -6.579 0.000 3.689) 7.543 25.131 ( 2.964 0.000 4.232) 5.167 25.287 ( 8.528 0.000 -11.016) 13.931 25.516 ( -1.517 0.000 4.764) 5.000 25.780 ( 2.436 0.000 -6.156) 6.620 26.000 ( -0.814 0.000 1.014) 1.300 26.129 ( -0.252 0.000 -6.513) 6.518 26.301 ( 11.079 0.000 3.471) 11.610 26.483 ( -10.284 0.000 -3.988) 11.030 26.692 ( -7.132 0.000 8.196) 10.865 27.033 ( 4.214 0.000 -7.797) 8.863 27.326 ( 0.454 0.000 13.979) 13.986 27.702 ( 3.216 0.000 -3.903) 5.057 34.236 ( 7.708 0.000 1.163) 7.795 34.292 ( 4.922 0.000 4.212) 6.478 34.364 ( -15.805 0.000 -5.011) 16.580 34.496 ( -7.377 0.000 -4.210) 8.493 34.846 ( -1.065 0.000 12.386) 12.432 34.945 ( 1.987 0.000 14.004) 14.144 35.086 ( 3.456 0.000 3.952) 5.250 35.145 ( 17.582 0.000 7.369) 19.064 35.362 ( -12.770 0.000 -4.678) 13.600 35.532 ( 8.224 0.000 -14.997) 17.103 35.687 ( -13.712 0.000 -4.589) 14.459 35.857 ( 6.744 0.000 -13.613) 15.192 38.091 ( 8.024 0.000 5.283) 9.607 38.209 ( -8.192 0.000 0.749) 8.226 38.324 ( 6.822 0.000 10.025) 12.126 38.680 ( -4.683 0.000 7.045) 8.459 38.868 ( -2.777 0.000 -7.209) 7.725 38.997 ( -2.151 0.000 -5.416) 5.827 39.039 ( -1.210 0.000 -4.061) 4.237 39.275 ( 1.246 0.000 -7.123) 7.231 39.731 ( 3.496 0.000 5.577) 6.582 39.997 ( -2.658 0.000 -6.506) 7.028 40.309 ( 2.256 0.000 8.218) 8.522 40.494 ( 0.514 0.000 -1.261) 1.361 76.949 ( 4.956 0.000 0.940) 5.045 77.157 ( -8.351 0.000 -10.550) 13.455 77.257 ( 11.516 0.000 12.143) 16.735 77.986 ( -13.770 0.000 -16.790) 21.715 78.789 ( -1.413 0.000 15.167) 15.233 79.119 ( -4.365 0.000 32.454) 32.746 79.639 ( -6.195 0.000 -22.728) 23.558 80.488 ( -0.514 0.000 9.535) 9.548 80.587 ( -2.278 0.000 -25.960) 26.060 80.737 ( 15.485 0.000 36.979) 40.090 80.967 ( 1.698 0.000 -22.119) 22.184 82.031 ( 2.889 0.000 -20.966) 21.164 82.160 ( 6.199 0.000 9.817) 11.610 82.459 ( 33.681 0.000 5.731) 34.165 82.597 ( -1.605 0.000 9.715) 9.847 82.952 ( -12.927 0.000 -15.274) 20.010 83.407 ( 0.459 0.000 3.510) 3.540 83.849 ( -16.306 0.000 0.738) 16.323 84.206 ( -2.770 0.000 12.043) 12.358 84.304 ( -4.204 0.000 10.171) 11.005 86.331 ( -4.521 0.000 3.360) 5.633 87.754 ( -25.469 0.000 -46.121) 52.686 88.574 ( 15.591 0.000 23.010) 27.795 89.343 ( -0.082 0.000 -12.903) 12.903 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -19.319 0.000 -11.745) 22.609 1.565 ( -15.185 0.000 -6.324) 16.449 1.747 ( -2.829 0.000 -5.906) 6.549 1.834 ( 6.378 0.000 -0.095) 6.378 2.141 ( 4.313 0.000 -10.751) 11.584 2.309 ( -17.829 0.000 -3.914) 18.254 2.456 ( 0.097 0.000 -3.738) 3.739 2.545 ( -15.588 0.000 0.353) 15.592 2.790 ( -3.457 0.000 -11.516) 12.023 2.849 ( 4.032 0.000 1.399) 4.268 2.960 ( 16.553 0.000 -6.764) 17.882 3.113 ( 0.602 0.000 6.691) 6.718 3.329 ( 8.669 0.000 -4.591) 9.810 3.391 ( 6.565 0.000 -1.285) 6.689 3.947 ( 1.212 0.000 -1.614) 2.019 4.038 ( 3.019 0.000 -1.132) 3.224 4.187 ( -2.320 0.000 -1.058) 2.550 4.477 ( 12.954 0.000 0.997) 12.992 4.992 ( -9.880 0.000 11.937) 15.496 5.479 ( 7.769 0.000 2.497) 8.160 5.503 ( 4.721 0.000 -0.532) 4.751 5.629 ( 1.454 0.000 -8.416) 8.541 5.860 ( -1.949 0.000 14.606) 14.735 5.935 ( 5.439 0.000 9.022) 10.535 5.962 ( -2.056 0.000 -5.627) 5.991 6.095 ( -3.631 0.000 0.712) 3.700 6.276 ( -4.330 0.000 -0.196) 4.334 6.365 ( -2.446 0.000 12.501) 12.738 6.893 ( 0.350 0.000 1.511) 1.551 6.915 ( -3.657 0.000 -4.853) 6.077 7.197 ( -5.516 0.000 0.913) 5.591 7.447 ( -0.403 0.000 1.861) 1.904 7.456 ( -2.975 0.000 0.453) 3.009 7.803 ( 4.387 0.000 -1.339) 4.587 7.940 ( 9.172 0.000 0.297) 9.177 7.976 ( 1.296 0.000 -2.763) 3.052 8.532 ( -4.976 0.000 -10.537) 11.653 8.609 ( -4.563 0.000 0.815) 4.635 8.752 ( 10.790 0.000 -3.122) 11.233 8.842 ( 6.622 0.000 3.797) 7.633 9.020 ( -6.207 0.000 8.326) 10.385 9.250 ( -0.877 0.000 4.720) 4.800 9.567 ( -0.460 0.000 -14.750) 14.757 9.834 ( 1.535 0.000 -21.724) 21.779 10.045 ( 5.698 0.000 11.580) 12.905 10.256 ( -0.945 0.000 -7.522) 7.581 10.664 ( 6.085 0.000 16.189) 17.295 10.701 ( -15.907 0.000 -12.297) 20.106 11.769 ( -6.902 0.000 15.627) 17.083 11.924 ( -24.501 0.000 -15.812) 29.160 12.130 ( -11.309 0.000 -3.429) 11.817 12.223 ( 2.818 0.000 22.230) 22.408 12.618 ( 4.377 0.000 9.912) 10.835 12.859 ( 1.684 0.000 10.673) 10.805 13.138 ( 12.782 0.000 -6.796) 14.477 13.145 ( 21.304 0.000 13.241) 25.084 13.338 ( -5.336 0.000 -16.245) 17.099 13.432 ( 2.957 0.000 -17.270) 17.521 13.649 ( -9.473 0.000 -3.605) 10.136 14.253 ( 17.715 0.000 -3.382) 18.035 17.330 ( 4.039 0.000 -3.404) 5.282 17.402 ( 6.025 0.000 -3.047) 6.751 17.677 ( -4.370 0.000 5.463) 6.996 17.723 ( -4.287 0.000 -3.889) 5.788 17.978 ( 6.298 0.000 -1.336) 6.439 17.996 ( 3.647 0.000 -2.128) 4.222 18.267 ( -1.909 0.000 9.275) 9.469 18.276 ( -3.142 0.000 8.483) 9.046 18.750 ( -0.722 0.000 -2.002) 2.128 18.809 ( 3.560 0.000 -2.903) 4.593 18.938 ( -7.321 0.000 -7.162) 10.241 19.026 ( 4.089 0.000 5.288) 6.684 19.030 ( 0.227 0.000 10.503) 10.505 19.197 ( -7.004 0.000 -5.382) 8.833 19.228 ( -4.762 0.000 -3.290) 5.788 19.240 ( 3.983 0.000 8.380) 9.278 19.348 ( -5.994 0.000 -0.430) 6.009 19.625 ( -1.976 0.000 1.326) 2.380 19.663 ( -2.540 0.000 -1.962) 3.210 19.885 ( 0.401 0.000 -2.351) 2.385 19.998 ( 6.673 0.000 -2.780) 7.229 20.002 ( -5.358 0.000 2.427) 5.882 20.179 ( -0.821 0.000 -3.086) 3.193 20.203 ( 1.337 0.000 3.692) 3.927 23.125 ( -1.778 0.000 4.692) 5.017 23.415 ( 1.557 0.000 -5.059) 5.293 23.437 ( 0.612 0.000 1.237) 1.381 23.458 ( 0.855 0.000 1.210) 1.482 23.890 ( -3.112 0.000 0.643) 3.178 23.928 ( -0.747 0.000 -0.639) 0.983 24.294 ( 0.776 0.000 1.319) 1.530 24.338 ( -1.197 0.000 4.566) 4.721 24.433 ( -0.624 0.000 -1.402) 1.535 24.473 ( 3.907 0.000 -5.964) 7.130 24.815 ( -9.000 0.000 -0.004) 9.000 24.972 ( -2.330 0.000 1.620) 2.838 25.215 ( 1.712 0.000 7.233) 7.433 25.356 ( 0.793 0.000 -8.083) 8.122 25.504 ( 0.614 0.000 0.191) 0.643 25.715 ( -2.031 0.000 -3.971) 4.460 26.089 ( -0.409 0.000 2.497) 2.530 26.155 ( 4.134 0.000 -2.710) 4.943 26.318 ( 2.147 0.000 -9.582) 9.819 26.483 ( 0.595 0.000 3.214) 3.268 26.622 ( 2.208 0.000 8.613) 8.892 27.083 ( 2.978 0.000 -5.580) 6.325 27.377 ( -0.164 0.000 10.609) 10.610 27.721 ( 0.368 0.000 -5.568) 5.580 34.038 ( -14.559 0.000 -2.294) 14.739 34.303 ( -8.847 0.000 -2.567) 9.212 34.343 ( 1.861 0.000 7.411) 7.641 34.400 ( 1.986 0.000 2.853) 3.476 34.843 ( -3.871 0.000 11.488) 12.122 35.033 ( 1.485 0.000 13.504) 13.586 35.166 ( 3.653 0.000 -3.728) 5.219 35.270 ( 6.146 0.000 -3.414) 7.031 35.428 ( -8.125 0.000 -9.627) 12.597 35.554 ( 15.711 0.000 -1.339) 15.768 35.688 ( 15.856 0.000 -10.263) 18.888 36.043 ( 15.758 0.000 -4.860) 16.490 38.039 ( -8.313 0.000 -1.257) 8.408 38.301 ( 10.610 0.000 6.477) 12.431 38.521 ( 8.994 0.000 11.652) 14.719 38.548 ( -8.526 0.000 -3.952) 9.397 38.835 ( -0.298 0.000 3.082) 3.096 38.943 ( -1.177 0.000 -6.152) 6.264 39.022 ( 0.070 0.000 -0.821) 0.824 39.262 ( 0.092 0.000 -6.938) 6.939 39.755 ( -2.891 0.000 5.742) 6.428 39.848 ( -9.778 0.000 -7.314) 12.211 40.313 ( -4.263 0.000 5.565) 7.010 40.422 ( -7.016 0.000 -2.598) 7.481 77.014 ( -2.957 0.000 -7.387) 7.957 77.134 ( 12.977 0.000 3.118) 13.346 77.603 ( -16.610 0.000 -21.393) 27.084 77.611 ( 18.771 0.000 17.641) 25.760 78.881 ( 2.751 0.000 22.196) 22.366 79.127 ( -5.043 0.000 31.578) 31.978 79.432 ( -7.400 0.000 -20.647) 21.933 80.188 ( -25.878 0.000 -19.019) 32.116 80.499 ( -3.837 0.000 12.473) 13.050 80.987 ( 0.210 0.000 23.588) 23.589 81.045 ( 12.130 0.000 -26.876) 29.487 81.899 ( -7.866 0.000 -21.454) 22.851 82.292 ( -3.821 0.000 9.126) 9.894 82.408 ( -14.165 0.000 -13.649) 19.670 82.615 ( -9.346 0.000 -11.046) 14.469 83.085 ( 8.372 0.000 -10.478) 13.412 83.499 ( -6.277 0.000 -1.903) 6.559 83.692 ( 33.088 0.000 33.502) 47.087 84.053 ( -15.343 0.000 7.839) 17.229 84.237 ( -7.467 0.000 7.227) 10.391 86.569 ( 15.392 0.000 35.675) 38.854 87.084 ( -23.929 0.000 -42.845) 49.074 88.954 ( 15.352 0.000 14.329) 21.000 89.338 ( 5.005 0.000 -18.823) 19.477 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 2.984 0.000 27.403) 27.565 1.204 ( -20.478 0.000 8.820) 22.296 1.762 ( 5.485 0.000 6.820) 8.752 1.858 ( -21.532 0.000 8.750) 23.242 1.926 ( -1.722 0.000 -0.791) 1.895 2.220 ( 7.382 0.000 -19.416) 20.772 2.220 ( -16.783 0.000 -0.386) 16.788 2.386 ( -5.209 0.000 0.827) 5.274 2.796 ( 7.652 0.000 -15.259) 17.070 2.876 ( -1.400 0.000 0.862) 1.644 3.214 ( 11.427 0.000 -6.983) 13.392 3.236 ( 7.082 0.000 4.157) 8.212 3.453 ( 4.978 0.000 -2.000) 5.365 3.539 ( 8.202 0.000 -0.922) 8.254 3.964 ( -0.272 0.000 -7.292) 7.297 3.973 ( -8.947 0.000 -2.796) 9.374 4.185 ( 4.855 0.000 2.013) 5.256 4.583 ( -4.469 0.000 6.876) 8.201 5.023 ( 9.440 0.000 8.110) 12.445 5.518 ( -0.191 0.000 -11.606) 11.608 5.571 ( 3.523 0.000 -2.073) 4.087 5.704 ( 5.831 0.000 -3.155) 6.630 5.821 ( -6.231 0.000 10.957) 12.604 5.848 ( -6.542 0.000 -5.195) 8.354 6.046 ( -1.316 0.000 1.657) 2.116 6.090 ( 6.835 0.000 -1.717) 7.048 6.199 ( -2.508 0.000 0.268) 2.522 6.334 ( -5.439 0.000 10.505) 11.830 6.826 ( -3.674 0.000 -3.911) 5.366 6.891 ( -1.127 0.000 1.041) 1.534 7.129 ( -2.417 0.000 0.894) 2.577 7.429 ( 0.026 0.000 3.233) 3.233 7.464 ( 0.771 0.000 5.272) 5.328 7.779 ( -4.316 0.000 -7.006) 8.229 8.031 ( 5.670 0.000 -1.424) 5.846 8.140 ( 7.438 0.000 -0.806) 7.481 8.441 ( 0.714 0.000 -7.287) 7.322 8.529 ( -3.236 0.000 0.205) 3.243 8.887 ( -5.732 0.000 6.783) 8.881 8.971 ( 11.560 0.000 -0.762) 11.585 9.083 ( 11.155 0.000 13.617) 17.603 9.281 ( 3.531 0.000 3.292) 4.827 9.456 ( -5.799 0.000 -13.015) 14.249 9.785 ( 1.730 0.000 -19.898) 19.973 10.174 ( 1.409 0.000 8.662) 8.776 10.238 ( 1.225 0.000 -8.401) 8.490 10.363 ( -14.012 0.000 -6.647) 15.509 10.843 ( 5.963 0.000 16.365) 17.418 11.345 ( -26.861 0.000 -17.356) 31.980 11.693 ( -4.722 0.000 11.020) 11.990 11.960 ( -4.081 0.000 -0.983) 4.198 12.261 ( -5.028 0.000 21.897) 22.467 12.725 ( 2.102 0.000 3.680) 4.238 13.007 ( 4.549 0.000 18.240) 18.799 13.089 ( -6.113 0.000 -12.083) 13.541 13.349 ( 2.458 0.000 -20.629) 20.775 13.368 ( -2.290 0.000 -7.796) 8.125 13.579 ( 18.408 0.000 -3.889) 18.814 13.692 ( 16.320 0.000 12.332) 20.455 14.537 ( 12.194 0.000 -4.339) 12.943 17.432 ( 4.566 0.000 0.111) 4.567 17.554 ( 8.723 0.000 0.300) 8.728 17.635 ( 0.900 0.000 2.946) 3.080 17.639 ( -1.995 0.000 -4.990) 5.374 18.024 ( 0.386 0.000 -2.651) 2.679 18.039 ( -0.489 0.000 0.327) 0.588 18.306 ( 2.725 0.000 5.099) 5.781 18.314 ( 3.409 0.000 9.671) 10.254 18.639 ( -5.937 0.000 -9.203) 10.952 18.799 ( -1.039 0.000 -8.862) 8.922 18.845 ( -3.908 0.000 4.744) 6.147 19.025 ( -2.688 0.000 -5.440) 6.068 19.041 ( -7.579 0.000 -3.496) 8.346 19.092 ( -2.848 0.000 11.592) 11.937 19.165 ( -4.314 0.000 -0.022) 4.314 19.268 ( 3.824 0.000 12.627) 13.194 19.328 ( 0.786 0.000 9.156) 9.189 19.593 ( -1.900 0.000 0.032) 1.900 19.611 ( -1.800 0.000 -0.922) 2.023 19.851 ( -2.510 0.000 -5.858) 6.373 19.875 ( -7.455 0.000 0.282) 7.460 20.041 ( 0.276 0.000 -5.718) 5.724 20.143 ( -1.246 0.000 -4.119) 4.303 20.268 ( 3.158 0.000 1.599) 3.540 23.111 ( -1.166 0.000 4.064) 4.228 23.377 ( -2.192 0.000 -5.570) 5.985 23.477 ( 2.641 0.000 2.098) 3.373 23.517 ( 3.074 0.000 3.532) 4.683 23.816 ( -4.559 0.000 1.982) 4.971 23.916 ( -0.169 0.000 -2.007) 2.014 24.312 ( 0.016 0.000 0.531) 0.532 24.314 ( -2.127 0.000 0.590) 2.207 24.403 ( -0.063 0.000 -3.879) 3.879 24.517 ( 3.075 0.000 -5.876) 6.632 24.656 ( -7.318 0.000 2.205) 7.643 24.966 ( 0.535 0.000 -0.472) 0.713 25.237 ( -1.101 0.000 6.284) 6.380 25.261 ( -7.000 0.000 -1.381) 7.135 25.546 ( 2.570 0.000 -0.825) 2.699 25.718 ( 2.851 0.000 -8.495) 8.961 25.957 ( -7.338 0.000 2.246) 7.674 26.247 ( 4.051 0.000 1.095) 4.196 26.388 ( -6.337 0.000 3.766) 7.372 26.512 ( 15.078 0.000 -8.645) 17.381 26.797 ( 8.326 0.000 6.898) 10.813 27.103 ( 0.802 0.000 -4.121) 4.198 27.380 ( -2.933 0.000 5.341) 6.093 27.677 ( -2.569 0.000 -6.577) 7.061 33.802 ( -8.730 0.000 1.225) 8.816 34.157 ( -5.371 0.000 -0.382) 5.384 34.288 ( -6.774 0.000 1.056) 6.855 34.468 ( 2.817 0.000 7.470) 7.984 34.760 ( -7.972 0.000 5.277) 9.560 35.056 ( -5.413 0.000 11.823) 13.003 35.212 ( 3.399 0.000 -7.891) 8.592 35.408 ( 11.948 0.000 -2.287) 12.165 35.507 ( 13.738 0.000 1.036) 13.777 35.654 ( 4.199 0.000 -17.110) 17.618 36.109 ( 20.986 0.000 -0.820) 21.002 36.375 ( 17.054 0.000 -2.965) 17.310 37.916 ( -2.679 0.000 1.698) 3.172 38.363 ( -7.270 0.000 -5.627) 9.193 38.535 ( 10.443 0.000 5.110) 11.627 38.755 ( 10.272 0.000 10.777) 14.888 38.849 ( -0.911 0.000 8.441) 8.490 38.908 ( -0.081 0.000 -5.705) 5.706 39.031 ( 1.104 0.000 0.292) 1.142 39.231 ( -0.760 0.000 -5.944) 5.992 39.576 ( -14.139 0.000 -8.190) 16.340 39.671 ( -7.253 0.000 4.858) 8.730 40.185 ( -10.113 0.000 1.607) 10.240 40.209 ( -12.899 0.000 -4.172) 13.557 76.990 ( 2.222 0.000 -2.343) 3.229 77.244 ( -11.102 0.000 -12.272) 16.548 77.478 ( 20.401 0.000 5.002) 21.005 78.111 ( 24.668 0.000 18.526) 30.850 78.973 ( -3.868 0.000 27.633) 27.902 79.162 ( -14.314 0.000 -17.087) 22.290 79.261 ( 9.998 0.000 27.479) 29.241 79.530 ( -33.428 0.000 -14.448) 36.417 80.390 ( -11.923 0.000 13.234) 17.813 80.957 ( -9.827 0.000 12.033) 15.536 81.169 ( 8.617 0.000 -23.945) 25.449 81.553 ( -23.735 0.000 -9.695) 25.638 81.747 ( -10.315 0.000 -53.322) 54.311 82.422 ( -8.896 0.000 -11.535) 14.567 82.591 ( 8.943 0.000 26.816) 28.267 82.960 ( -8.408 0.000 -14.493) 16.755 83.516 ( 2.926 0.000 -0.031) 2.926 83.580 ( -28.904 0.000 -5.746) 29.470 84.069 ( -9.885 0.000 0.357) 9.891 84.637 ( 31.833 0.000 25.993) 41.098 86.740 ( 9.576 0.000 -2.968) 10.026 87.027 ( 13.669 0.000 46.434) 48.404 89.256 ( 10.363 0.000 9.687) 14.185 89.386 ( 7.157 0.000 -23.325) 24.398 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -14.278 0.000 14.921) 20.652 1.186 ( -4.923 0.000 27.216) 27.658 1.541 ( 1.977 0.000 25.275) 25.352 1.893 ( -13.295 0.000 -2.190) 13.475 2.007 ( 3.792 0.000 13.856) 14.365 2.020 ( 14.660 0.000 20.194) 24.954 2.259 ( 4.216 0.000 -22.177) 22.574 2.281 ( -6.089 0.000 4.567) 7.611 2.829 ( -2.803 0.000 -0.309) 2.820 2.901 ( 7.073 0.000 -16.783) 18.213 3.345 ( 2.393 0.000 0.631) 2.475 3.349 ( 4.697 0.000 -6.910) 8.355 3.511 ( 1.680 0.000 0.372) 1.721 3.654 ( -1.696 0.000 -1.389) 2.192 3.733 ( -7.730 0.000 -1.140) 7.813 3.863 ( -4.736 0.000 -14.930) 15.663 4.397 ( 11.873 0.000 8.074) 14.358 4.482 ( -6.554 0.000 4.970) 8.225 5.247 ( 8.271 0.000 7.677) 11.285 5.466 ( 1.425 0.000 -18.256) 18.312 5.588 ( -5.321 0.000 1.554) 5.544 5.703 ( -4.228 0.000 -1.790) 4.591 5.733 ( -2.916 0.000 2.342) 3.740 5.766 ( -0.437 0.000 -3.872) 3.896 6.056 ( 1.224 0.000 3.571) 3.775 6.125 ( 1.279 0.000 -9.153) 9.242 6.209 ( -10.030 0.000 4.312) 10.918 6.250 ( 6.382 0.000 -2.139) 6.731 6.741 ( -3.907 0.000 -1.600) 4.222 6.863 ( -1.423 0.000 -1.291) 1.921 7.097 ( -1.042 0.000 2.031) 2.283 7.457 ( -5.662 0.000 -0.149) 5.664 7.462 ( 0.900 0.000 4.833) 4.916 7.658 ( -1.767 0.000 -5.116) 5.413 8.182 ( 7.740 0.000 1.859) 7.960 8.197 ( 1.000 0.000 2.804) 2.977 8.512 ( 5.942 0.000 -4.596) 7.512 8.513 ( 2.268 0.000 2.114) 3.100 8.794 ( -5.699 0.000 7.491) 9.413 9.177 ( 7.467 0.000 -1.204) 7.564 9.282 ( -4.252 0.000 -9.372) 10.291 9.402 ( 11.707 0.000 15.585) 19.493 9.450 ( 14.515 0.000 0.253) 14.518 9.776 ( 4.236 0.000 -16.798) 17.323 10.094 ( -11.045 0.000 -2.792) 11.392 10.117 ( -9.241 0.000 -2.300) 9.523 10.225 ( 0.749 0.000 -10.200) 10.228 10.634 ( -30.053 0.000 -8.024) 31.106 11.150 ( 10.052 0.000 9.729) 13.990 11.671 ( -0.777 0.000 5.655) 5.708 11.953 ( 1.614 0.000 2.928) 3.343 12.236 ( -4.028 0.000 16.768) 17.245 12.726 ( -3.606 0.000 5.116) 6.259 12.957 ( -11.341 0.000 2.594) 11.634 12.979 ( -0.253 0.000 -8.938) 8.941 13.312 ( 2.441 0.000 -17.109) 17.282 13.433 ( 7.411 0.000 7.925) 10.850 13.967 ( 20.705 0.000 -6.247) 21.627 14.059 ( 14.247 0.000 12.846) 19.183 14.696 ( 5.422 0.000 -4.576) 7.095 17.425 ( -3.397 0.000 3.015) 4.542 17.568 ( -2.180 0.000 -0.247) 2.194 17.759 ( 9.910 0.000 -3.621) 10.551 17.828 ( 15.928 0.000 1.185) 15.972 17.985 ( -4.490 0.000 1.646) 4.782 18.024 ( 0.723 0.000 -0.957) 1.200 18.312 ( -3.573 0.000 -5.336) 6.422 18.429 ( 3.524 0.000 6.797) 7.656 18.565 ( 1.818 0.000 -2.780) 3.322 18.689 ( -7.900 0.000 -4.483) 9.084 18.766 ( -5.098 0.000 3.373) 6.113 18.858 ( -7.942 0.000 -7.083) 10.642 18.983 ( -0.967 0.000 7.807) 7.867 19.103 ( 2.075 0.000 -0.503) 2.135 19.108 ( 0.947 0.000 4.244) 4.349 19.299 ( -6.607 0.000 6.526) 9.287 19.448 ( 4.432 0.000 14.261) 14.934 19.558 ( -1.159 0.000 2.381) 2.648 19.587 ( -0.649 0.000 -1.222) 1.384 19.742 ( -6.415 0.000 -3.562) 7.338 19.748 ( -3.759 0.000 -1.759) 4.151 20.005 ( -1.261 0.000 -7.214) 7.324 20.110 ( -0.528 0.000 -3.978) 4.013 20.299 ( -0.087 0.000 -2.686) 2.687 23.108 ( -0.586 0.000 3.491) 3.540 23.313 ( -2.087 0.000 -4.603) 5.054 23.543 ( 2.867 0.000 2.959) 4.120 23.583 ( 1.851 0.000 4.092) 4.491 23.739 ( -3.965 0.000 4.273) 5.830 23.907 ( 0.509 0.000 -3.859) 3.892 24.265 ( -2.419 0.000 -1.717) 2.967 24.283 ( -2.042 0.000 -2.205) 3.005 24.437 ( 4.245 0.000 -3.002) 5.199 24.539 ( -5.141 0.000 1.371) 5.321 24.573 ( 4.572 0.000 -3.715) 5.890 24.924 ( -5.668 0.000 -2.788) 6.316 25.162 ( -0.840 0.000 0.703) 1.095 25.224 ( -2.540 0.000 2.914) 3.866 25.567 ( -0.531 0.000 0.234) 0.580 25.671 ( -5.028 0.000 -3.469) 6.108 25.949 ( 5.883 0.000 -1.940) 6.195 26.186 ( -7.720 0.000 0.389) 7.730 26.415 ( 4.453 0.000 5.669) 7.209 26.761 ( 11.944 0.000 -8.292) 14.540 26.958 ( 5.175 0.000 6.629) 8.410 27.098 ( 1.052 0.000 -3.458) 3.615 27.285 ( -7.776 0.000 1.712) 7.962 27.576 ( -5.200 0.000 -6.389) 8.238 33.714 ( -1.332 0.000 5.042) 5.215 34.087 ( -1.994 0.000 1.023) 2.241 34.167 ( -4.935 0.000 -0.831) 5.005 34.477 ( -5.514 0.000 -6.657) 8.644 34.642 ( -2.859 0.000 13.020) 13.330 34.990 ( -4.932 0.000 11.614) 12.618 35.248 ( 3.369 0.000 -9.306) 9.898 35.655 ( 2.731 0.000 -18.683) 18.882 35.700 ( 14.532 0.000 4.622) 15.249 35.793 ( 13.115 0.000 6.301) 14.550 36.383 ( 7.219 0.000 -6.874) 9.968 36.606 ( 6.205 0.000 -7.330) 9.604 37.994 ( 8.713 0.000 7.248) 11.333 38.279 ( 1.149 0.000 0.368) 1.207 38.696 ( 2.617 0.000 -2.941) 3.936 38.854 ( -1.527 0.000 8.682) 8.816 38.899 ( -0.455 0.000 1.584) 1.648 38.955 ( 3.635 0.000 3.435) 5.001 39.078 ( 3.525 0.000 2.969) 4.609 39.187 ( -1.310 0.000 -3.345) 3.593 39.337 ( -1.634 0.000 -5.924) 6.145 39.521 ( -8.977 0.000 2.878) 9.427 39.916 ( -13.637 0.000 -6.113) 14.944 39.930 ( -15.272 0.000 -1.694) 15.366 77.054 ( 6.218 0.000 2.141) 6.576 77.241 ( 12.952 0.000 7.136) 14.788 77.960 ( 24.771 0.000 6.672) 25.653 78.483 ( -13.111 0.000 -10.305) 16.676 78.845 ( -15.403 0.000 -6.377) 16.671 78.904 ( 0.466 0.000 6.092) 6.110 78.973 ( -5.516 0.000 27.203) 27.757 79.674 ( 19.488 0.000 20.051) 27.961 80.157 ( -15.447 0.000 10.946) 18.933 80.635 ( -24.203 0.000 -5.804) 24.889 81.160 ( -4.462 0.000 -15.285) 15.923 81.236 ( 4.084 0.000 -23.954) 24.300 81.474 ( -4.309 0.000 -34.728) 34.995 82.062 ( -19.203 0.000 -7.372) 20.569 82.760 ( -21.275 0.000 -8.257) 22.821 82.823 ( 4.528 0.000 16.128) 16.752 83.037 ( -8.658 0.000 4.175) 9.612 83.553 ( 1.850 0.000 2.403) 3.032 83.887 ( -7.252 0.000 -6.639) 9.832 84.831 ( -6.804 0.000 -14.081) 15.639 87.392 ( 5.475 0.000 49.068) 49.372 87.713 ( 70.965 0.000 34.132) 78.746 89.401 ( 0.298 0.000 6.943) 6.950 89.439 ( 7.113 0.000 -24.846) 25.844 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 3.618 13.011 19.996) 24.129 1.350 ( -5.500 28.074 9.718) 30.213 1.840 ( -8.101 12.830 -3.196) 15.506 1.905 ( 8.296 -4.718 12.506) 15.732 2.182 ( 8.233 0.600 19.694) 21.354 2.297 ( 5.499 3.666 -4.719) 8.121 2.357 ( 7.070 6.584 13.352) 16.480 2.428 ( 14.932 1.786 12.398) 19.490 2.771 ( 5.715 -5.212 -1.910) 7.967 2.875 ( -0.501 -6.325 -4.965) 8.057 3.193 ( -1.589 -3.972 -3.542) 5.554 3.346 ( -1.635 -1.548 -4.980) 5.465 3.477 ( -2.241 -1.294 -4.382) 5.089 3.607 ( -6.561 6.363 -5.610) 10.725 3.716 ( -3.885 1.279 -9.071) 9.951 3.725 ( -3.443 0.252 -10.492) 11.045 4.437 ( -4.031 5.014 7.293) 9.725 4.698 ( 6.107 7.116 5.484) 10.863 5.289 ( -2.383 -7.295 7.722) 10.887 5.356 ( -11.464 -1.733 -1.882) 11.746 5.538 ( 4.321 3.575 -12.067) 13.306 5.572 ( -3.370 -2.688 3.393) 5.486 5.652 ( -4.205 -4.113 -4.301) 7.287 5.739 ( 3.934 -0.123 -2.995) 4.946 5.943 ( -10.028 -2.697 -1.312) 10.467 6.092 ( 2.536 -1.410 3.199) 4.319 6.125 ( 1.678 -0.743 -3.612) 4.051 6.324 ( 3.789 -3.514 -9.000) 10.378 6.775 ( 0.045 7.343 1.979) 7.606 6.931 ( 0.160 6.103 -3.208) 6.896 7.154 ( 1.939 3.109 2.340) 4.348 7.296 ( -7.143 0.260 -2.080) 7.445 7.499 ( -0.100 1.084 4.167) 4.307 7.647 ( 0.010 -0.792 -3.529) 3.616 8.203 ( -0.292 -5.398 2.969) 6.167 8.261 ( 2.121 -1.866 4.464) 5.283 8.544 ( 2.764 -2.360 3.036) 4.735 8.592 ( 3.068 0.593 3.532) 4.716 8.737 ( -2.433 -1.465 3.300) 4.354 9.130 ( 2.561 -3.538 -11.862) 12.641 9.188 ( -0.048 -10.737 5.121) 11.896 9.487 ( 3.914 -7.702 -3.364) 9.271 9.570 ( 6.843 -6.956 4.738) 10.847 9.743 ( -12.838 -1.830 -4.209) 13.633 9.892 ( 5.185 4.949 -6.372) 9.591 10.067 ( 4.958 0.075 -3.364) 5.991 10.228 ( -11.915 7.182 -4.356) 14.578 10.302 ( 1.117 5.637 -8.495) 10.256 11.424 ( 8.089 3.577 10.908) 14.043 11.731 ( 0.863 3.553 -1.884) 4.113 11.934 ( 2.354 -4.559 7.064) 8.731 12.229 ( -1.527 -2.423 7.670) 8.187 12.596 ( -10.907 -0.465 2.065) 11.111 12.699 ( -7.260 -0.546 10.002) 12.371 13.052 ( 2.987 1.365 -8.084) 8.725 13.278 ( 3.551 -3.927 -10.658) 11.901 13.672 ( 2.714 7.748 6.271) 10.330 14.158 ( 7.448 -5.804 -8.274) 12.554 14.393 ( 5.417 5.553 6.387) 10.049 14.677 ( -2.605 -2.156 -4.801) 5.872 17.420 ( -0.610 2.091 3.617) 4.222 17.577 ( -0.280 3.095 -1.184) 3.326 17.883 ( -1.522 -4.153 0.994) 4.534 17.936 ( 2.361 2.594 0.213) 3.515 17.953 ( 2.426 -2.305 -1.339) 3.604 18.171 ( -2.515 -0.927 -6.658) 7.178 18.214 ( 9.567 -1.518 -0.543) 9.702 18.295 ( -11.474 -4.519 0.403) 12.338 18.489 ( 3.292 -4.309 1.065) 5.527 18.595 ( 2.323 -3.207 -4.109) 5.706 18.668 ( -1.071 -3.412 2.569) 4.403 18.780 ( -5.011 3.152 -1.713) 6.163 19.022 ( 6.337 -4.722 4.018) 8.866 19.083 ( 1.636 5.249 3.728) 6.643 19.216 ( -4.548 2.548 4.364) 6.799 19.339 ( 1.528 2.737 0.755) 3.224 19.484 ( -4.396 3.386 4.912) 7.410 19.497 ( -4.402 -1.233 0.629) 4.614 19.625 ( 0.038 0.373 7.871) 7.880 19.692 ( 7.936 -0.745 4.383) 9.097 19.762 ( -2.138 4.160 -3.170) 5.650 19.952 ( -3.401 0.939 -6.074) 7.024 20.089 ( 0.818 -0.928 -2.437) 2.733 20.211 ( -0.045 -3.940 -5.179) 6.508 23.143 ( 0.261 2.733 4.167) 4.990 23.372 ( -0.061 5.099 -5.518) 7.514 23.490 ( -0.021 -3.235 2.260) 3.946 23.640 ( 3.729 -0.383 -0.286) 3.759 23.832 ( -2.935 8.190 3.472) 9.367 23.959 ( 1.267 2.916 -4.160) 5.236 24.170 ( -3.259 -0.918 0.076) 3.387 24.267 ( -1.912 2.118 -2.503) 3.796 24.477 ( -3.068 0.965 -0.160) 3.221 24.520 ( 3.565 -0.128 -2.179) 4.180 24.645 ( 6.493 -2.768 -1.499) 7.216 24.730 ( -3.955 -3.664 -4.301) 6.897 25.180 ( -2.108 1.443 1.356) 2.892 25.211 ( 4.243 -0.066 0.292) 4.253 25.477 ( -5.805 -2.844 3.546) 7.373 25.524 ( -5.613 -2.823 -0.008) 6.283 26.070 ( -2.919 0.415 -1.070) 3.137 26.109 ( 7.578 0.446 -1.923) 7.831 26.547 ( 2.133 3.815 4.994) 6.637 26.821 ( -0.186 -2.506 -5.815) 6.335 27.047 ( 0.261 2.162 2.890) 3.619 27.136 ( 4.524 -1.107 1.822) 5.001 27.210 ( -1.550 2.463 0.072) 2.911 27.417 ( -7.144 -1.512 -4.718) 8.694 33.801 ( 5.656 1.554 7.990) 9.912 34.008 ( 1.634 -3.808 2.732) 4.963 34.148 ( -3.230 2.631 -3.702) 5.573 34.285 ( -6.453 -1.028 -9.623) 11.632 34.707 ( -0.269 1.595 14.708) 14.797 34.904 ( -4.705 -2.953 11.733) 12.982 35.297 ( 3.392 2.151 -9.555) 10.365 35.567 ( 2.055 -4.625 -15.414) 16.223 36.002 ( 7.000 4.392 5.388) 9.865 36.087 ( 8.858 2.812 7.442) 11.907 36.339 ( -7.409 -0.889 -9.427) 12.023 36.498 ( -9.812 -2.971 -10.260) 14.505 38.227 ( 9.237 0.485 9.537) 13.286 38.384 ( 9.761 -3.056 8.954) 13.593 38.597 ( -10.828 1.573 -7.397) 13.207 38.683 ( -15.626 0.188 -5.014) 16.412 38.881 ( 1.898 1.020 5.970) 6.347 39.042 ( 6.711 -2.782 3.076) 7.890 39.205 ( 1.431 -0.246 -4.733) 4.951 39.219 ( 6.055 0.277 -0.368) 6.072 39.405 ( -0.763 2.984 3.827) 4.913 39.506 ( 7.904 2.710 2.463) 8.711 39.620 ( -11.186 -0.572 -2.161) 11.407 39.709 ( -2.631 -0.766 -6.357) 6.922 77.316 ( 14.788 -0.104 10.182) 17.954 77.595 ( 18.818 -7.495 8.936) 22.139 77.936 ( -24.907 5.348 -11.616) 27.998 78.095 ( -15.402 0.394 -5.666) 16.416 78.757 ( 12.589 -2.776 7.676) 15.003 78.950 ( 2.299 -2.257 12.545) 12.952 79.262 ( 2.821 -7.942 1.703) 8.599 79.513 ( -26.026 -6.532 -10.571) 28.841 79.999 ( -4.618 13.041 13.709) 19.476 80.586 ( 14.302 2.541 8.605) 16.884 81.091 ( -0.756 7.975 -19.744) 21.308 81.301 ( 4.398 2.696 -40.875) 41.199 81.476 ( 20.931 -1.061 8.414) 22.584 81.924 ( 8.430 -3.001 22.112) 23.854 82.161 ( -22.985 0.871 -13.949) 26.901 82.748 ( -7.309 -7.680 -7.888) 13.215 83.242 ( 11.671 5.901 10.619) 16.846 83.651 ( 6.277 -2.326 12.929) 14.559 83.811 ( -6.447 8.025 -10.301) 14.562 84.489 ( -11.723 -6.021 -16.967) 21.484 87.636 ( 0.588 3.345 46.906) 47.029 88.652 ( 36.529 -27.320 11.249) 46.982 89.276 ( -13.807 0.443 -2.180) 13.985 89.469 ( 5.341 -5.075 -17.191) 18.703 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 5.236 4.595 17.802) 19.117 1.427 ( 8.824 27.201 8.128) 29.730 1.727 ( -0.905 11.399 -6.147) 12.983 1.972 ( -1.040 -7.884 6.574) 10.317 2.298 ( 5.688 2.582 -11.038) 12.683 2.417 ( 6.903 5.419 1.465) 8.898 2.588 ( 5.348 3.872 -6.925) 9.568 2.763 ( 12.025 2.255 23.320) 26.335 2.814 ( 0.655 -5.868 -4.752) 7.579 3.043 ( 5.015 -8.815 6.001) 11.784 3.140 ( 5.366 -0.927 6.025) 8.122 3.283 ( -2.909 3.272 -9.765) 10.702 3.322 ( -11.358 -1.772 -22.623) 25.376 3.438 ( -1.788 4.231 -3.783) 5.951 3.613 ( -4.091 1.059 -2.977) 5.169 3.646 ( -3.537 1.187 -1.288) 3.947 4.459 ( 3.410 5.930 13.670) 15.286 4.792 ( 2.013 6.451 -0.348) 6.767 4.970 ( -19.104 4.176 -3.453) 19.857 5.233 ( -13.041 -10.299 5.512) 17.508 5.468 ( -2.396 -2.756 4.112) 5.500 5.578 ( 1.030 -5.422 0.294) 5.527 5.680 ( 3.952 -1.042 2.330) 4.704 5.786 ( -2.927 -1.137 -6.595) 7.304 5.878 ( 9.726 4.583 -3.164) 11.207 6.121 ( 0.711 -0.209 3.066) 3.155 6.172 ( 1.594 -1.368 0.448) 2.148 6.347 ( 0.783 -2.649 -5.262) 5.943 6.783 ( 0.255 4.834 0.525) 4.869 6.949 ( 3.355 6.581 -3.189) 8.046 7.165 ( -1.911 -1.889 0.966) 2.856 7.259 ( 3.356 0.427 3.629) 4.961 7.520 ( 0.676 0.636 4.338) 4.436 7.619 ( -1.468 -0.650 -3.618) 3.958 8.157 ( -4.627 -5.153 1.837) 7.165 8.279 ( -1.856 -2.095 0.937) 2.951 8.533 ( -3.337 -0.357 0.834) 3.458 8.669 ( -1.949 1.888 5.363) 6.010 8.725 ( 4.202 1.194 1.802) 4.725 9.049 ( -2.860 -3.545 -4.726) 6.564 9.262 ( 2.967 -12.503 -4.181) 13.514 9.360 ( -12.735 -2.006 -3.985) 13.494 9.669 ( 4.704 -5.664 -9.169) 11.760 9.695 ( 2.850 -7.567 3.411) 8.776 9.922 ( -2.590 -0.577 -5.107) 5.756 10.090 ( 7.255 10.974 -2.132) 13.327 10.151 ( 4.564 1.709 -4.665) 6.746 10.530 ( 18.274 9.260 1.983) 20.582 11.569 ( 0.695 -1.531 2.123) 2.708 11.736 ( 3.484 3.316 -3.323) 5.846 12.026 ( 4.990 -3.925 10.024) 11.865 12.224 ( -1.757 -6.062 -6.295) 8.914 12.412 ( -7.459 5.252 16.000) 18.417 12.588 ( -7.348 2.942 14.528) 16.544 13.115 ( 3.997 -4.215 -6.807) 8.949 13.284 ( 0.969 -3.315 -10.810) 11.348 13.661 ( -5.484 8.215 3.588) 10.509 14.127 ( -5.467 -4.943 -14.192) 15.991 14.429 ( -4.364 2.827 5.916) 7.876 14.517 ( -10.631 -0.100 -6.618) 12.523 17.440 ( 0.517 1.214 4.305) 4.503 17.578 ( 0.487 0.691 -1.374) 1.613 17.837 ( -1.681 1.600 -0.310) 2.341 17.845 ( -9.216 -2.383 -2.911) 9.954 17.997 ( 0.999 -0.258 1.018) 1.450 18.077 ( -5.424 0.973 -3.193) 6.369 18.158 ( 0.269 -6.170 -3.643) 7.170 18.368 ( 2.883 -4.164 4.769) 6.957 18.570 ( 2.740 -0.183 -0.927) 2.898 18.637 ( -2.437 1.316 0.686) 2.853 18.697 ( 4.881 -2.304 -4.463) 7.004 18.764 ( 8.306 -2.850 4.518) 9.876 19.005 ( -3.829 4.199 -0.277) 5.689 19.169 ( 1.330 1.294 3.507) 3.968 19.263 ( 7.580 -3.481 4.326) 9.397 19.377 ( -5.475 5.871 -0.401) 8.038 19.403 ( 3.320 -3.187 2.972) 5.479 19.484 ( 0.365 -1.360 6.048) 6.210 19.662 ( 1.119 0.680 8.259) 8.362 19.749 ( 1.598 6.191 -1.871) 6.663 19.816 ( 0.910 -2.474 -3.916) 4.721 19.869 ( -0.748 0.484 -0.567) 1.056 20.120 ( 2.382 -0.718 0.565) 2.551 20.200 ( 1.357 -1.181 -8.191) 8.386 23.161 ( -0.133 2.491 3.942) 4.665 23.349 ( -0.122 5.258 -4.564) 6.963 23.483 ( -1.299 -3.129 1.587) 3.741 23.677 ( -1.344 0.395 -1.797) 2.278 23.824 ( 2.449 3.720 2.572) 5.143 23.977 ( 1.522 0.314 -1.992) 2.527 24.123 ( -1.437 2.118 2.025) 3.264 24.218 ( -1.714 3.584 -1.139) 4.133 24.424 ( -2.032 0.627 -0.935) 2.323 24.499 ( -3.447 -0.866 -1.497) 3.856 24.763 ( 8.601 -1.444 -6.084) 10.634 24.806 ( 8.379 -2.737 0.781) 8.849 25.174 ( 1.047 1.825 0.016) 2.104 25.308 ( 4.575 -1.348 1.150) 4.906 25.379 ( -4.787 -3.096 6.717) 8.811 25.414 ( -5.221 -3.023 1.200) 6.151 26.023 ( -1.501 0.971 -3.677) 4.089 26.238 ( 4.799 -2.713 -0.033) 5.513 26.569 ( -1.800 4.679 1.285) 5.176 26.753 ( -3.179 -0.974 -4.738) 5.788 26.988 ( -4.505 5.050 -0.439) 6.781 27.182 ( 0.279 0.913 10.360) 10.403 27.251 ( -6.758 -1.384 -5.485) 8.813 27.324 ( 7.587 -2.209 -0.951) 7.959 33.998 ( 9.846 0.572 8.129) 12.781 34.024 ( -0.320 0.628 -4.609) 4.662 34.135 ( 3.781 -0.669 1.615) 4.165 34.183 ( -0.429 -0.961 -5.008) 5.117 34.746 ( -1.131 0.360 13.346) 13.398 34.858 ( -4.273 -2.849 12.602) 13.608 35.315 ( 1.686 3.932 -10.585) 11.417 35.535 ( 0.069 -2.102 -13.819) 13.978 35.994 ( -13.350 -1.598 -1.866) 13.574 36.083 ( -11.797 -0.299 -3.593) 12.335 36.216 ( -7.237 0.636 -2.697) 7.749 36.245 ( -1.375 1.259 3.385) 3.865 38.291 ( -13.119 0.268 -5.567) 14.254 38.349 ( -11.320 -0.606 -2.688) 11.650 38.388 ( -0.649 1.991 6.678) 6.999 38.605 ( 4.785 -3.077 12.739) 13.952 39.004 ( 8.541 1.067 2.411) 8.939 39.132 ( -0.872 -2.591 -2.246) 3.538 39.201 ( 4.461 1.985 -5.599) 7.429 39.257 ( -1.862 2.067 -4.368) 5.178 39.393 ( -7.594 0.275 -3.524) 8.376 39.516 ( 10.502 -1.447 5.992) 12.178 39.712 ( 11.994 3.266 0.459) 12.440 39.884 ( 15.346 -1.650 -0.342) 15.438 77.318 ( -17.596 -0.393 -7.601) 19.171 77.504 ( -17.500 -5.966 -5.491) 19.287 77.829 ( 12.172 5.031 14.281) 19.427 78.189 ( 13.218 -3.582 5.901) 14.911 78.497 ( -20.534 1.516 -3.103) 20.822 79.063 ( -1.882 -9.840 15.846) 18.748 79.304 ( 11.220 -12.115 4.276) 17.057 79.542 ( 6.477 -11.068 9.399) 15.899 80.060 ( 10.150 14.421 4.578) 18.219 80.659 ( 0.279 -0.874 -5.152) 5.233 81.065 ( 2.321 17.006 -14.867) 22.708 81.259 ( 4.777 7.917 -29.772) 31.175 81.758 ( -7.105 3.008 -16.368) 18.095 82.078 ( 25.754 4.201 7.369) 27.115 82.459 ( 29.005 -6.671 18.631) 35.113 82.632 ( 3.365 -9.867 -9.527) 14.122 83.507 ( 6.687 4.666 5.343) 9.748 83.568 ( -4.025 7.445 -7.540) 11.334 83.890 ( 5.719 -1.938 19.247) 20.172 84.178 ( -12.510 -3.225 -17.018) 21.367 87.765 ( -3.021 5.329 40.563) 41.023 88.803 ( -28.997 0.996 -10.018) 30.695 88.968 ( 0.040 -13.236 -21.526) 25.270 89.508 ( -0.571 -19.882 -2.450) 20.041 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 7.500 -0.182 10.298) 12.741 1.599 ( 6.124 13.525 -0.606) 14.859 1.788 ( 7.119 0.977 -3.500) 7.993 2.025 ( 6.630 1.535 2.876) 7.388 2.315 ( 0.649 4.559 -14.093) 14.826 2.448 ( -7.205 -5.705 -2.372) 9.491 2.701 ( 6.691 -2.063 -11.043) 13.076 2.745 ( -1.181 -2.867 -19.200) 19.449 2.864 ( -2.850 6.094 -16.146) 17.492 2.934 ( -8.531 -0.780 -22.993) 24.537 2.993 ( -3.031 0.063 -0.157) 3.036 3.319 ( 4.117 0.347 8.808) 9.729 3.417 ( 0.664 3.169 2.535) 4.112 3.472 ( 4.444 -1.524 7.970) 9.252 3.507 ( -3.466 3.521 2.546) 5.558 3.631 ( 5.271 1.899 8.925) 10.538 4.506 ( -18.296 1.538 -4.685) 18.949 4.659 ( 6.511 5.898 10.710) 13.852 4.810 ( -8.799 3.512 3.362) 10.053 5.037 ( -0.321 -0.880 9.569) 9.615 5.454 ( -2.454 -0.998 8.855) 9.243 5.633 ( 2.572 -3.519 2.460) 5.005 5.731 ( -0.380 0.090 -1.810) 1.852 5.776 ( 4.497 -4.850 1.090) 6.703 6.072 ( 8.239 3.747 -1.042) 9.111 6.137 ( -0.804 -0.604 3.112) 3.270 6.168 ( 0.082 2.006 -3.259) 3.828 6.339 ( -1.169 1.418 7.588) 7.808 6.788 ( 0.740 0.051 -2.346) 2.460 7.020 ( 3.012 2.786 -2.336) 4.721 7.170 ( 3.546 -6.100 -1.368) 7.187 7.334 ( 0.943 -4.303 5.714) 7.215 7.545 ( -0.223 0.656 3.143) 3.219 7.582 ( -0.972 0.804 0.744) 1.465 8.062 ( -4.082 -1.235 -1.709) 4.594 8.192 ( -6.274 1.209 -2.138) 6.737 8.482 ( -0.828 0.990 -2.408) 2.732 8.637 ( -0.217 5.099 -2.093) 5.516 8.789 ( -0.947 -2.468 4.433) 5.162 9.015 ( -2.122 0.374 2.439) 3.255 9.134 ( -6.313 -5.182 -6.968) 10.736 9.255 ( -1.714 -7.117 -0.193) 7.323 9.637 ( -0.910 -1.039 -12.398) 12.475 9.781 ( 3.960 -1.676 0.233) 4.306 9.862 ( 0.282 -7.818 -10.716) 13.268 10.138 ( 2.563 -4.006 -1.866) 5.109 10.451 ( 15.751 9.068 2.831) 18.394 10.935 ( 20.838 11.400 8.037) 25.076 11.429 ( -8.849 -1.997 -12.463) 15.415 11.851 ( 4.868 -5.574 0.372) 7.410 12.117 ( -1.251 -2.676 -5.096) 5.890 12.232 ( 9.370 -6.146 12.205) 16.569 12.441 ( -0.423 7.523 22.246) 23.488 12.562 ( 1.046 6.761 12.998) 14.689 13.087 ( -4.773 -7.129 -4.449) 9.664 13.258 ( -0.659 -3.914 -12.046) 12.683 13.516 ( -7.767 6.753 -0.211) 10.294 13.890 ( -11.620 -2.673 -16.655) 20.484 14.214 ( -14.512 1.139 -7.120) 16.205 14.318 ( -9.790 1.465 3.418) 10.472 17.442 ( -2.078 0.588 2.395) 3.225 17.553 ( -4.386 -3.198 -2.997) 6.201 17.664 ( -3.847 -0.766 -1.813) 4.321 17.830 ( -0.362 4.716 -3.292) 5.763 17.927 ( -4.119 -1.489 0.949) 4.482 18.072 ( 0.466 2.451 -1.052) 2.707 18.174 ( 2.783 -5.905 3.738) 7.522 18.397 ( -0.640 -0.358 4.705) 4.762 18.547 ( -2.397 2.533 0.633) 3.544 18.650 ( 2.945 2.449 2.965) 4.844 18.798 ( 4.202 -3.764 -3.546) 6.663 18.940 ( 4.024 -0.007 -1.857) 4.432 19.009 ( 6.164 -0.972 3.468) 7.139 19.187 ( -2.692 0.603 6.828) 7.365 19.298 ( 2.433 7.967 -1.417) 8.450 19.408 ( -1.216 -8.887 2.810) 9.400 19.436 ( 4.565 -6.762 -0.973) 8.217 19.565 ( 4.538 3.034 3.342) 6.401 19.718 ( -2.072 -1.665 -3.115) 4.095 19.738 ( 0.847 4.331 4.228) 6.112 19.788 ( 1.629 3.670 -0.495) 4.045 19.905 ( 2.033 -2.168 -1.573) 3.363 20.161 ( 1.099 -0.488 1.005) 1.567 20.212 ( 2.070 1.073 -3.726) 4.396 23.167 ( -0.661 1.339 4.020) 4.289 23.336 ( -0.070 2.891 -2.464) 3.799 23.456 ( -1.621 -2.402 0.026) 2.898 23.605 ( -3.997 0.504 -2.175) 4.578 23.890 ( 2.571 1.213 -0.801) 2.953 24.030 ( 3.932 -0.185 3.147) 5.039 24.114 ( -0.373 3.111 -0.003) 3.134 24.224 ( 2.209 4.446 3.402) 6.019 24.392 ( -0.601 0.050 -2.428) 2.502 24.442 ( -1.594 0.954 -0.708) 1.989 24.930 ( 8.884 -0.811 -5.466) 10.462 24.960 ( 7.235 -1.305 -1.943) 7.605 25.176 ( -1.623 -0.447 2.329) 2.874 25.284 ( -6.770 -2.834 6.827) 10.024 25.377 ( 2.858 -2.803 4.647) 6.133 25.453 ( 7.718 -2.557 -4.446) 9.267 25.977 ( -1.772 -0.560 -2.606) 3.201 26.260 ( -2.862 -5.780 -0.999) 6.527 26.468 ( -7.231 6.769 -1.839) 10.074 26.723 ( 1.551 1.661 -2.882) 3.670 26.897 ( -5.226 3.811 1.151) 6.569 27.096 ( -6.200 -0.855 -4.476) 7.694 27.235 ( 0.796 1.885 11.796) 11.972 27.469 ( 7.165 -3.066 -1.348) 7.910 33.999 ( 2.328 1.155 -6.294) 6.810 34.152 ( 2.087 -2.655 -3.464) 4.838 34.272 ( 10.731 0.782 4.704) 11.743 34.316 ( 10.998 0.065 7.781) 13.472 34.764 ( -1.047 -0.606 11.509) 11.573 34.833 ( -2.991 -3.039 13.627) 14.279 35.251 ( -6.237 6.350 -8.647) 12.410 35.437 ( -8.303 2.269 -6.486) 10.777 35.650 ( -13.450 -3.809 -9.965) 17.167 35.802 ( -9.840 -6.905 -8.545) 14.748 36.064 ( -9.199 5.142 -0.380) 10.546 36.192 ( -8.483 0.985 5.046) 9.920 38.049 ( -7.702 0.780 -3.705) 8.582 38.163 ( -4.487 -1.630 -0.090) 4.774 38.415 ( -1.825 2.588 8.732) 9.288 38.679 ( -1.030 -3.227 12.198) 12.660 39.034 ( -3.190 -0.048 -6.490) 7.232 39.147 ( 0.328 -1.313 -4.384) 4.588 39.183 ( -1.188 0.231 -3.456) 3.662 39.249 ( -3.090 -1.039 -9.100) 9.666 39.392 ( 12.432 6.187 1.710) 13.992 39.779 ( 12.011 -4.596 2.762) 13.154 39.970 ( 12.379 4.109 3.799) 13.585 40.178 ( 13.408 -1.742 0.556) 13.533 77.030 ( -8.594 -0.732 -4.351) 9.660 77.151 ( -13.247 -4.230 -4.272) 14.547 77.854 ( -19.806 2.341 -9.900) 22.265 78.106 ( 3.406 -2.571 12.977) 13.661 78.707 ( 13.875 3.282 19.077) 23.816 79.173 ( -6.254 -6.441 -10.076) 13.496 79.319 ( 11.724 -11.036 35.486) 38.968 79.681 ( -1.089 -21.308 1.720) 21.405 80.337 ( 15.050 10.411 -6.842) 19.538 80.759 ( 7.499 0.772 -14.817) 16.625 81.199 ( 20.008 19.335 4.538) 28.191 81.282 ( 6.767 13.803 -18.440) 24.008 81.692 ( 6.479 0.659 -14.678) 16.058 82.283 ( -0.673 0.980 -8.473) 8.555 82.800 ( 6.510 -3.027 2.391) 7.567 83.065 ( 19.897 -0.181 10.123) 22.324 83.403 ( 4.311 -1.533 -5.128) 6.873 83.712 ( -9.669 -6.098 -9.748) 15.023 83.877 ( 7.706 6.201 5.819) 11.476 84.167 ( 7.788 1.742 22.494) 23.867 87.711 ( -21.047 4.392 -5.038) 22.083 88.184 ( -19.789 7.510 15.263) 26.096 88.729 ( -13.138 -9.880 -33.056) 36.917 89.403 ( -7.981 -20.002 1.460) 21.585 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 5.221 0.576 -1.002) 5.347 1.721 ( 5.789 1.625 -5.998) 8.493 1.884 ( 4.233 -10.227 -8.193) 13.771 2.091 ( -15.839 -4.097 -26.968) 31.542 2.247 ( 5.138 -2.287 -3.654) 6.707 2.268 ( 4.914 8.977 -9.204) 13.764 2.461 ( -12.762 -4.670 -20.038) 24.211 2.708 ( -0.991 -1.481 -5.929) 6.191 2.775 ( -1.516 0.381 -7.472) 7.634 2.978 ( -0.183 0.902 -3.804) 3.913 2.994 ( 10.766 5.097 -9.515) 15.245 3.228 ( -7.620 -2.635 -5.884) 9.981 3.380 ( -3.372 8.100 1.371) 8.880 3.410 ( -6.048 5.831 1.422) 8.521 3.690 ( 10.175 1.023 11.241) 15.196 3.843 ( 7.325 -0.370 10.789) 13.045 4.224 ( -6.575 2.635 -2.324) 7.455 4.454 ( -14.313 -1.668 -1.180) 14.458 4.979 ( 10.567 3.725 13.510) 17.552 5.196 ( 8.908 7.112 12.870) 17.192 5.438 ( -2.514 3.813 9.375) 10.428 5.634 ( -2.047 -0.856 -2.517) 3.356 5.731 ( 0.563 -3.332 0.971) 3.516 5.889 ( 4.816 -4.196 3.796) 7.431 6.051 ( -4.866 5.816 5.786) 9.538 6.146 ( -0.127 -1.248 0.368) 1.307 6.265 ( 5.170 2.815 1.977) 6.209 6.359 ( 0.179 1.165 8.745) 8.825 6.800 ( 1.395 -2.936 -2.486) 4.092 7.008 ( -2.774 -3.092 -2.869) 5.048 7.283 ( 5.139 -9.154 -1.319) 10.580 7.329 ( -0.625 -6.863 1.435) 7.040 7.527 ( -2.010 2.026 2.434) 3.751 7.578 ( -0.887 -0.098 3.676) 3.782 8.011 ( -1.266 4.841 -3.806) 6.287 8.053 ( -4.762 3.403 -3.181) 6.661 8.484 ( 2.068 1.354 -3.287) 4.113 8.667 ( 3.752 4.074 -1.673) 5.786 8.737 ( -3.879 -4.491 -0.064) 5.935 8.886 ( -8.475 -0.018 -1.362) 8.584 9.108 ( 0.883 -1.376 1.018) 1.926 9.230 ( -1.393 -3.451 3.850) 5.355 9.592 ( 1.014 -1.357 -13.053) 13.162 9.819 ( 2.468 -1.494 -7.702) 8.224 9.882 ( 3.964 -2.541 -7.629) 8.965 10.201 ( 2.752 -8.561 6.178) 10.910 10.595 ( -0.806 7.162 -5.407) 9.010 11.218 ( -7.983 -4.245 -13.962) 16.634 11.395 ( 20.792 9.105 12.865) 26.090 11.980 ( 11.766 -6.515 0.311) 13.453 12.130 ( -0.884 -1.007 8.725) 8.827 12.417 ( 2.704 -3.109 16.126) 16.644 12.529 ( 4.663 9.089 12.763) 16.347 12.658 ( -0.267 2.408 3.775) 4.486 12.952 ( -7.482 -7.293 0.836) 10.481 13.102 ( -8.444 4.340 -10.121) 13.877 13.440 ( 0.745 -4.594 -9.151) 10.266 13.630 ( -6.407 -4.495 -14.308) 16.309 13.919 ( -10.777 5.097 -6.553) 13.604 14.130 ( -9.655 2.119 1.472) 9.994 17.380 ( -3.594 -0.410 -2.436) 4.361 17.415 ( -5.292 -1.488 -5.632) 7.870 17.675 ( 2.097 -3.046 1.296) 3.918 17.775 ( -3.184 -2.648 1.121) 4.291 17.899 ( -0.291 4.008 0.256) 4.027 18.041 ( -1.561 6.532 -2.755) 7.259 18.273 ( 2.394 -4.828 9.785) 11.171 18.399 ( -0.688 2.001 5.348) 5.751 18.546 ( 2.120 1.292 1.665) 2.990 18.703 ( 1.467 5.542 -2.674) 6.326 18.841 ( 1.759 -5.552 4.340) 7.263 19.013 ( 3.727 -2.201 -3.988) 5.886 19.065 ( 0.534 -0.300 1.113) 1.270 19.194 ( -0.248 1.421 9.144) 9.257 19.295 ( -5.540 -4.644 -3.748) 8.143 19.450 ( 5.951 4.105 -1.968) 7.493 19.495 ( 0.996 -4.404 -4.883) 6.650 19.629 ( 1.807 0.155 -2.259) 2.897 19.669 ( 1.833 1.170 2.342) 3.196 19.778 ( -0.169 3.739 -0.023) 3.743 19.824 ( 1.081 1.388 3.416) 3.842 19.950 ( 3.275 -4.707 -0.158) 5.736 20.175 ( -0.316 0.684 2.446) 2.559 20.240 ( 1.328 1.890 -0.215) 2.320 23.164 ( -1.289 0.746 4.911) 5.132 23.330 ( 0.098 -0.634 -0.414) 0.763 23.427 ( -0.641 -1.159 -2.130) 2.508 23.525 ( -3.006 -0.068 -2.917) 4.189 23.931 ( 1.899 2.078 0.412) 2.846 24.065 ( -0.550 5.329 -2.926) 6.104 24.164 ( 3.446 -2.779 6.888) 8.188 24.301 ( 3.364 2.860 3.317) 5.523 24.383 ( 0.624 1.069 -1.654) 2.065 24.436 ( 1.205 2.801 -0.443) 3.081 25.005 ( 1.348 -1.388 -0.616) 2.031 25.094 ( 3.132 -2.725 -3.629) 5.514 25.149 ( -2.046 0.637 1.327) 2.521 25.188 ( -1.314 -0.838 1.551) 2.198 25.466 ( 3.653 -1.945 3.390) 5.350 25.605 ( 8.835 -3.765 -5.406) 11.021 25.947 ( -0.926 -4.817 -0.391) 4.921 26.140 ( -6.480 -6.683 -5.568) 10.847 26.350 ( -2.854 10.259 1.588) 10.766 26.736 ( -2.435 5.681 -2.498) 6.667 26.775 ( -6.890 -1.145 5.346) 8.796 26.997 ( -1.229 -1.031 -6.393) 6.591 27.301 ( 1.424 3.048 11.996) 12.458 27.591 ( 5.561 -3.128 -1.620) 6.583 34.079 ( 7.437 0.860 -3.346) 8.200 34.196 ( 3.202 -1.895 -0.171) 3.725 34.464 ( 6.640 -0.349 0.630) 6.679 34.531 ( 3.236 -2.315 2.014) 4.460 34.828 ( 4.751 1.310 11.563) 12.569 34.860 ( 2.154 -1.307 13.517) 13.750 35.016 ( -11.660 3.475 2.035) 12.336 35.159 ( -14.404 0.251 0.875) 14.433 35.508 ( 1.400 0.471 -14.094) 14.171 35.652 ( -6.879 -2.489 -5.329) 9.051 35.858 ( -6.787 1.988 -10.060) 12.297 35.970 ( -13.697 -0.002 -0.649) 13.712 37.989 ( 1.757 1.301 1.674) 2.754 38.160 ( 2.411 -2.607 5.069) 6.189 38.378 ( -4.649 3.441 6.185) 8.468 38.677 ( -3.022 -3.171 10.523) 11.398 38.952 ( -2.522 0.190 -6.970) 7.414 39.074 ( -3.190 -0.709 -9.756) 10.289 39.115 ( -2.916 1.000 -4.586) 5.526 39.238 ( 2.079 -1.924 -6.360) 6.962 39.633 ( 9.552 4.731 4.049) 11.403 39.960 ( 5.774 -3.204 -1.866) 6.862 40.196 ( 8.072 2.641 6.519) 10.706 40.391 ( 7.754 -1.875 0.107) 7.978 76.912 ( -3.115 -1.748 -1.629) 3.925 77.007 ( -0.892 -5.731 1.384) 5.963 77.499 ( -11.909 6.017 -8.974) 16.079 78.097 ( -6.275 -8.879 -0.621) 10.890 78.842 ( -5.782 0.785 8.194) 10.059 79.063 ( -3.289 0.510 22.392) 22.638 79.631 ( 1.387 -14.640 -10.350) 17.983 79.833 ( 21.512 -17.509 26.868) 38.616 80.516 ( 4.474 9.258 -0.548) 10.296 80.816 ( 8.199 5.614 -21.222) 23.433 81.319 ( 0.682 22.181 -10.027) 24.351 81.762 ( 27.387 4.493 -5.021) 28.203 81.932 ( 22.150 1.004 -5.760) 22.909 82.199 ( -3.995 4.067 1.258) 5.838 82.722 ( -6.883 2.764 -1.929) 7.664 83.256 ( -8.365 1.822 -13.201) 15.734 83.364 ( -4.206 -7.635 1.995) 8.942 83.688 ( 11.490 -7.334 12.459) 18.466 84.146 ( 9.787 6.327 14.234) 18.396 84.426 ( 7.880 6.516 22.959) 25.133 86.920 ( -38.045 8.181 -33.357) 51.254 88.119 ( -13.299 -12.584 -14.502) 23.357 88.361 ( -2.254 3.499 4.926) 6.449 89.272 ( -4.257 -14.676 -2.338) 15.459 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -17.646 -5.768 -24.243) 30.535 1.656 ( 3.327 -3.519 -18.134) 18.770 1.821 ( -2.493 -2.894 -18.461) 18.852 1.877 ( 4.209 1.376 -9.656) 10.623 2.114 ( -16.617 -6.072 -0.908) 17.715 2.359 ( 11.495 0.767 -6.708) 13.331 2.445 ( 5.792 -6.386 -3.967) 9.490 2.640 ( -3.534 0.064 -4.820) 5.977 2.781 ( 2.869 0.153 -1.658) 3.317 2.863 ( -9.878 2.336 0.513) 10.164 3.041 ( -7.945 2.761 -10.489) 13.445 3.168 ( 9.486 0.711 -8.528) 12.775 3.310 ( -2.739 8.671 3.894) 9.892 3.362 ( 0.279 5.954 0.650) 5.996 3.901 ( 8.622 1.088 3.982) 9.559 3.954 ( 1.643 1.128 3.397) 3.939 4.232 ( 3.080 0.010 1.041) 3.251 4.269 ( -0.499 0.629 -0.961) 1.252 5.177 ( 1.961 3.441 11.070) 11.758 5.348 ( 0.923 6.279 5.753) 8.566 5.467 ( 4.591 7.438 6.192) 10.711 5.597 ( 0.520 -2.664 -0.230) 2.723 5.765 ( 2.487 -2.872 4.885) 6.188 5.961 ( 1.038 0.752 6.387) 6.514 6.001 ( -2.878 4.997 5.212) 7.773 6.138 ( -0.940 -0.966 0.086) 1.350 6.301 ( -1.866 -2.124 4.792) 5.564 6.403 ( -0.051 3.540 8.030) 8.776 6.828 ( 2.283 -4.996 -1.720) 5.756 6.913 ( -5.244 -5.699 -2.140) 8.035 7.235 ( -4.474 -6.252 0.020) 7.688 7.410 ( 3.059 -8.076 -3.849) 9.455 7.515 ( 0.073 1.894 3.148) 3.675 7.593 ( 3.349 -1.334 -0.139) 3.608 7.934 ( -2.462 5.165 -0.473) 5.741 8.034 ( 0.616 3.819 -3.031) 4.915 8.530 ( 2.470 -1.027 -1.626) 3.130 8.669 ( -1.308 -1.309 -2.968) 3.497 8.721 ( -5.310 -0.236 -1.173) 5.443 8.768 ( 4.813 3.119 -2.561) 6.281 9.098 ( -3.656 -0.125 5.144) 6.312 9.216 ( -1.687 -3.255 3.997) 5.424 9.584 ( 2.916 -0.406 -12.135) 12.487 9.850 ( 5.022 -1.440 -20.067) 20.736 9.938 ( 2.990 1.213 4.647) 5.657 10.252 ( -1.050 -7.428 2.861) 8.028 10.535 ( 0.073 3.185 1.144) 3.385 10.971 ( -11.871 -5.744 -15.140) 20.078 11.776 ( 9.136 5.453 17.178) 20.206 12.101 ( -3.013 1.253 15.627) 15.964 12.262 ( 6.662 -0.683 -2.006) 6.991 12.423 ( -13.414 0.226 -0.273) 13.418 12.538 ( 3.185 -0.917 8.448) 9.075 12.675 ( -2.202 0.987 4.657) 5.245 12.783 ( -1.115 -6.564 5.531) 8.656 13.057 ( 7.429 7.703 -2.437) 10.975 13.388 ( -4.337 -6.381 -14.552) 16.471 13.504 ( -1.888 -4.724 -15.555) 16.366 13.896 ( 6.785 3.898 1.232) 7.921 13.973 ( -2.491 4.329 -3.164) 5.912 17.315 ( -0.971 -0.345 -4.310) 4.432 17.340 ( -0.080 -1.201 -4.933) 5.078 17.688 ( -2.120 -3.861 3.989) 5.943 17.758 ( 0.695 -4.449 -0.290) 4.512 17.901 ( 0.874 4.871 1.263) 5.107 18.018 ( 0.298 7.457 -3.022) 8.051 18.305 ( -1.884 -0.306 9.734) 9.919 18.392 ( -2.606 2.653 7.275) 8.170 18.641 ( 5.656 -0.581 -0.818) 5.744 18.714 ( 1.845 0.704 0.105) 1.977 18.888 ( -0.046 -6.147 4.856) 7.834 19.026 ( 1.228 -2.509 -5.625) 6.280 19.121 ( -2.698 0.319 -0.794) 2.831 19.157 ( 0.300 0.367 3.435) 3.467 19.197 ( -3.063 -1.083 3.038) 4.447 19.404 ( -4.894 -0.404 -9.416) 10.619 19.471 ( -2.526 3.123 -0.566) 4.057 19.692 ( 0.847 2.741 1.219) 3.117 19.727 ( -2.921 0.619 -0.392) 3.012 19.810 ( 10.157 0.036 0.250) 10.160 19.848 ( 0.413 -1.142 1.835) 2.201 20.012 ( 2.237 -3.802 0.402) 4.430 20.163 ( -1.983 1.476 3.478) 4.267 20.258 ( 0.341 2.147 -0.000) 2.174 23.152 ( -1.747 0.808 5.245) 5.587 23.335 ( 0.048 -3.525 2.135) 4.121 23.421 ( 1.292 0.035 -4.189) 4.384 23.475 ( -0.855 -0.252 -3.347) 3.464 23.961 ( 0.566 3.506 1.543) 3.873 24.034 ( -1.588 5.852 -2.033) 6.395 24.232 ( 1.405 -2.859 4.312) 5.361 24.356 ( 1.814 -0.868 -0.423) 2.055 24.404 ( 0.775 3.538 1.962) 4.119 24.479 ( 2.682 3.554 -0.173) 4.456 24.988 ( -4.856 -0.668 -0.495) 4.927 25.028 ( -5.239 -2.054 2.832) 6.300 25.106 ( 0.394 -0.982 3.353) 3.516 25.270 ( 5.127 -1.733 -7.437) 9.198 25.530 ( 2.210 0.999 0.612) 2.501 25.702 ( 0.734 -6.143 -4.859) 7.867 25.939 ( 1.748 -3.814 -0.815) 4.274 26.052 ( 1.358 -5.259 -5.871) 7.998 26.398 ( 6.050 6.861 4.123) 10.033 26.567 ( -9.366 5.470 -2.881) 11.223 26.701 ( -5.797 1.140 7.181) 9.299 26.997 ( 2.383 -3.129 -4.976) 6.343 27.372 ( 1.558 3.844 9.962) 10.791 27.671 ( 3.315 -2.812 -3.017) 5.291 34.238 ( 6.939 0.177 1.202) 7.044 34.277 ( 4.440 -1.077 2.899) 5.411 34.366 ( -12.775 0.140 -4.155) 13.435 34.459 ( -8.103 -2.837 -3.603) 9.311 34.858 ( -1.502 0.707 11.384) 11.504 34.935 ( -3.107 -0.904 12.570) 12.980 35.084 ( 7.869 0.548 5.069) 9.376 35.164 ( 18.246 1.097 8.113) 19.999 35.412 ( -11.411 3.981 -4.472) 12.886 35.557 ( 7.118 2.271 -14.098) 15.955 35.671 ( -13.669 -1.361 -5.120) 14.660 35.827 ( 5.850 -2.632 -13.455) 14.906 38.102 ( 7.607 1.068 5.414) 9.398 38.211 ( -3.741 -0.316 2.259) 4.381 38.335 ( 2.587 1.522 8.518) 9.032 38.631 ( -5.325 -4.155 6.414) 9.315 38.880 ( -2.009 1.132 -6.538) 6.932 38.996 ( -0.896 -0.780 -7.812) 7.902 39.056 ( -1.926 1.973 -2.736) 3.885 39.246 ( 1.144 -2.374 -6.788) 7.281 39.774 ( 2.959 3.583 4.860) 6.724 39.987 ( -1.858 -1.060 -4.392) 4.885 40.318 ( 1.686 0.971 6.626) 6.906 40.473 ( 0.490 -1.883 -0.872) 2.132 76.918 ( 4.058 -2.551 0.730) 4.848 77.028 ( 0.048 -7.437 -1.918) 7.681 77.370 ( 2.308 6.575 2.177) 7.301 77.883 ( -11.702 -8.250 -13.816) 19.897 78.783 ( -2.158 -0.218 13.803) 13.972 79.030 ( -8.107 -6.550 22.179) 24.506 79.665 ( 2.990 1.864 -8.720) 9.405 80.185 ( 7.359 -15.867 3.015) 17.748 80.612 ( 1.588 4.221 19.666) 20.176 80.921 ( 8.742 1.158 -19.324) 21.241 81.182 ( -9.260 19.941 -8.645) 23.625 81.989 ( 2.490 -3.991 -23.580) 24.045 82.175 ( 2.073 1.353 3.658) 4.417 82.515 ( 25.830 2.785 4.549) 26.375 82.694 ( 1.296 7.634 9.069) 11.925 82.897 ( -10.274 -4.034 -11.217) 15.737 83.427 ( 3.674 4.283 8.289) 10.028 83.803 ( -6.039 -3.596 7.997) 10.646 84.306 ( 0.642 8.616 13.254) 15.821 84.522 ( -5.973 15.653 10.175) 19.602 86.313 ( -9.953 -0.146 -5.267) 11.262 87.522 ( -27.336 -20.120 -42.924) 54.723 88.615 ( 14.107 3.733 18.876) 23.859 89.230 ( 1.974 -9.664 -9.181) 13.475 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -15.879 -2.448 -13.352) 20.891 1.523 ( -9.235 -6.749 -15.775) 19.485 1.762 ( -11.329 0.083 0.646) 11.348 1.876 ( 4.408 2.797 -0.974) 5.311 1.978 ( 5.271 -4.131 -11.882) 13.639 2.436 ( -1.421 -2.572 -2.667) 3.968 2.468 ( -4.894 3.232 -6.651) 8.867 2.616 ( -9.499 1.934 -1.000) 9.746 2.675 ( 6.748 -7.950 -2.903) 10.825 2.801 ( -2.906 0.738 -3.828) 4.863 2.912 ( 1.008 5.980 -3.782) 7.147 3.311 ( 7.403 -1.259 -4.246) 8.626 3.338 ( 3.834 9.293 2.818) 10.441 3.415 ( 5.066 2.163 0.294) 5.517 3.977 ( 1.798 2.479 -1.981) 3.647 4.027 ( 2.193 -0.555 -0.969) 2.461 4.218 ( 0.256 2.900 -1.200) 3.149 4.465 ( 12.888 -1.311 0.041) 12.955 5.071 ( -10.995 7.406 10.462) 16.887 5.444 ( 4.263 0.535 0.939) 4.397 5.564 ( 4.873 0.882 2.484) 5.540 5.623 ( 1.085 0.573 -4.036) 4.218 5.861 ( 2.302 -0.667 10.645) 10.911 5.942 ( -3.147 0.601 -5.607) 6.458 6.010 ( 0.646 3.804 8.103) 8.975 6.098 ( -2.407 0.069 1.351) 2.760 6.264 ( -2.632 -0.847 1.973) 3.397 6.392 ( -4.324 1.523 12.156) 12.992 6.813 ( -3.149 -5.396 -3.189) 7.014 6.879 ( 2.708 -3.359 0.443) 4.338 7.161 ( -2.298 -2.079 -2.025) 3.702 7.411 ( -0.545 -3.448 -1.212) 3.695 7.511 ( -1.093 3.273 2.217) 4.101 7.729 ( 8.121 -6.579 -1.168) 10.516 7.928 ( 1.143 2.684 1.541) 3.299 8.041 ( 1.976 2.360 -2.886) 4.219 8.503 ( -3.429 -0.832 -5.003) 6.122 8.618 ( -4.058 0.531 0.733) 4.158 8.714 ( 5.754 -1.875 -1.888) 6.339 8.890 ( 7.255 0.491 0.259) 7.276 9.007 ( -7.098 -0.359 6.870) 9.884 9.188 ( -2.412 -4.500 3.430) 6.151 9.609 ( 3.523 3.549 -12.840) 13.779 9.840 ( 1.272 0.489 -21.094) 21.138 10.047 ( 4.352 0.450 9.953) 10.873 10.204 ( -0.851 -4.480 -6.176) 7.677 10.617 ( -1.044 -3.082 5.090) 6.041 10.683 ( -6.529 -2.469 -4.315) 8.207 11.802 ( -7.480 2.494 13.897) 15.978 11.916 ( -23.650 -1.098 -9.499) 25.510 12.126 ( -12.902 1.956 3.338) 13.470 12.255 ( -1.544 1.632 15.708) 15.868 12.606 ( 4.447 -1.719 2.948) 5.605 12.838 ( 8.987 0.162 11.971) 14.970 12.995 ( 17.250 -6.881 7.341) 19.970 13.184 ( -8.107 -12.271 -12.151) 19.078 13.285 ( 12.624 6.848 -5.174) 15.265 13.460 ( 1.668 4.665 -16.060) 16.807 13.832 ( -2.221 10.453 -3.215) 11.160 14.217 ( 16.052 -2.995 -2.124) 16.467 17.330 ( 3.908 -0.133 -2.893) 4.864 17.381 ( 5.549 -1.538 -3.053) 6.518 17.654 ( -2.757 -1.691 5.079) 6.021 17.750 ( -0.609 -0.110 -3.154) 3.214 17.954 ( 2.811 1.592 2.388) 4.017 18.021 ( 0.956 3.223 -2.829) 4.393 18.295 ( -2.113 2.246 8.548) 9.087 18.382 ( -0.305 5.152 8.060) 9.571 18.661 ( -0.738 -3.696 -3.558) 5.183 18.776 ( -2.901 -5.004 -8.216) 10.047 18.882 ( 2.501 -4.479 7.237) 8.871 19.004 ( -4.475 0.826 2.340) 5.117 19.038 ( -0.205 -3.181 -5.080) 5.997 19.146 ( -2.248 0.399 3.201) 3.932 19.247 ( -0.744 0.362 0.833) 1.174 19.280 ( -0.120 1.224 0.531) 1.340 19.387 ( -5.933 3.410 0.999) 6.916 19.637 ( -4.448 -0.324 1.039) 4.579 19.701 ( -1.409 3.349 2.182) 4.238 19.845 ( -0.885 -2.231 -2.417) 3.406 19.996 ( 7.223 -0.311 -2.418) 7.623 20.024 ( -0.857 -0.204 -1.358) 1.619 20.131 ( -1.896 0.167 2.762) 3.355 20.251 ( -0.742 1.366 -0.525) 1.641 23.136 ( -1.622 1.046 4.704) 5.085 23.348 ( 0.484 -4.759 3.025) 5.660 23.438 ( 1.234 0.756 -5.892) 6.067 23.470 ( 1.792 -0.058 -0.880) 1.998 23.963 ( -1.277 5.851 1.535) 6.182 23.993 ( -1.271 5.376 -1.419) 5.703 24.267 ( 1.346 -2.110 1.808) 3.087 24.361 ( -1.659 -0.941 0.466) 1.963 24.414 ( 0.041 1.438 -0.299) 1.469 24.516 ( 1.379 2.987 -2.490) 4.126 24.843 ( -8.608 2.391 -0.323) 8.940 24.956 ( -1.828 -1.358 2.075) 3.081 25.173 ( 1.914 -3.328 6.721) 7.740 25.287 ( -0.449 -4.835 -4.747) 6.791 25.546 ( -1.220 1.604 -1.921) 2.784 25.665 ( 1.092 -3.271 -5.888) 6.824 25.961 ( -0.655 -5.343 0.338) 5.393 26.167 ( 10.215 -4.214 -6.454) 12.797 26.398 ( -4.802 7.643 -1.967) 9.238 26.561 ( 2.868 5.980 3.486) 7.493 26.630 ( 1.161 0.416 7.381) 7.484 27.027 ( 1.728 -4.760 -2.316) 5.569 27.423 ( 0.279 3.815 6.568) 7.601 27.695 ( 0.535 -2.326 -4.760) 5.325 34.048 ( -13.974 1.001 -2.232) 14.187 34.248 ( -9.831 -4.046 -2.225) 10.862 34.349 ( 2.230 0.453 6.603) 6.984 34.405 ( 3.122 -0.094 2.760) 4.168 34.847 ( -3.847 0.668 11.498) 12.143 35.004 ( 3.114 -2.393 13.854) 14.400 35.227 ( -0.814 3.824 -5.861) 7.045 35.282 ( 8.748 2.625 -2.912) 9.587 35.402 ( -8.113 -1.963 -8.590) 11.978 35.631 ( 20.614 4.843 3.812) 21.515 35.658 ( 9.981 -1.785 -14.768) 17.914 36.011 ( 15.800 -2.956 -4.492) 16.690 38.071 ( -7.939 2.896 -1.327) 8.554 38.293 ( 8.257 -0.898 4.910) 9.649 38.498 ( 4.396 -2.027 8.407) 9.701 38.518 ( -2.145 -2.294 2.979) 4.329 38.841 ( -0.884 0.998 -0.447) 1.406 38.977 ( 1.124 1.074 -5.768) 5.973 39.016 ( -1.445 0.853 -0.820) 1.868 39.235 ( 0.312 -2.319 -6.817) 7.207 39.785 ( -3.416 2.437 4.854) 6.416 39.859 ( -9.067 0.826 -5.650) 10.715 40.309 ( -4.712 -0.209 4.912) 6.810 40.403 ( -6.892 -1.653 -2.093) 7.390 76.983 ( -1.130 -2.603 -6.084) 6.713 77.058 ( 8.227 -5.862 0.545) 10.116 77.588 ( 3.557 -0.536 1.066) 3.752 77.612 ( 3.248 -0.335 -1.808) 3.733 78.852 ( 1.792 -2.304 19.953) 20.166 78.958 ( -5.039 -8.798 17.779) 20.467 79.605 ( -6.481 9.724 -9.933) 15.337 80.223 ( -2.805 -4.137 -3.894) 6.336 80.491 ( -17.994 6.123 3.213) 19.277 80.997 ( 2.950 -1.307 -11.879) 12.310 81.094 ( 2.160 5.811 8.991) 10.921 81.845 ( -6.934 -5.742 -25.529) 27.069 82.212 ( -3.012 -4.970 11.338) 12.740 82.351 ( -20.606 -3.291 -13.470) 24.837 82.735 ( -0.042 8.215 -9.379) 12.468 83.067 ( 6.255 -0.413 -7.897) 10.082 83.581 ( -11.041 4.904 -3.503) 12.579 83.702 ( 15.146 -0.049 22.096) 26.789 84.226 ( -10.729 16.054 9.208) 21.392 84.447 ( 1.705 17.007 12.192) 20.995 86.463 ( 13.142 -9.132 29.209) 33.306 86.865 ( -20.436 -18.351 -33.851) 43.592 88.963 ( 14.924 1.051 10.734) 18.413 89.274 ( 6.636 -5.464 -15.733) 17.928 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 7.084 3.230 23.052) 24.331 1.234 ( -16.228 1.824 4.604) 16.967 1.688 ( 3.829 -6.259 7.749) 10.672 1.906 ( -6.016 3.859 7.743) 10.538 1.961 ( -2.908 2.210 -4.650) 5.913 2.340 ( -7.794 7.137 -3.604) 11.166 2.352 ( -5.778 9.187 -11.618) 15.898 2.407 ( -3.320 3.888 1.955) 5.474 2.751 ( 3.443 -2.983 -11.167) 12.060 2.823 ( 3.856 -11.003 -4.573) 12.524 2.993 ( 7.027 -0.265 -1.002) 7.103 3.410 ( 3.653 -3.087 -2.311) 5.312 3.447 ( 4.892 5.742 1.749) 7.743 3.551 ( 7.803 1.106 0.093) 7.881 3.974 ( -6.390 0.027 -3.930) 7.502 3.981 ( -1.230 0.988 -8.124) 8.276 4.272 ( 6.790 7.669 1.735) 10.389 4.620 ( -1.516 2.796 6.354) 7.106 5.014 ( 5.108 0.042 6.676) 8.406 5.490 ( 1.379 -1.038 -1.077) 2.035 5.592 ( -0.789 1.433 -8.071) 8.235 5.683 ( 3.948 -1.816 2.456) 4.992 5.781 ( -8.267 -2.168 -4.112) 9.484 5.931 ( -0.095 2.272 3.064) 3.816 5.969 ( -3.818 -2.619 -0.238) 4.636 6.135 ( 2.855 1.171 1.089) 3.273 6.214 ( -2.765 1.466 0.230) 3.138 6.338 ( -4.954 -0.435 8.122) 9.524 6.770 ( -0.344 -0.412 -2.314) 2.376 6.927 ( 1.406 -0.556 1.445) 2.092 7.132 ( -0.101 0.958 -2.287) 2.482 7.408 ( 0.432 -2.159 2.165) 3.088 7.514 ( 0.303 3.958 4.607) 6.082 7.779 ( -2.799 -1.162 -6.006) 6.727 7.996 ( 5.299 -2.050 -0.189) 5.685 8.124 ( 6.251 -1.894 0.486) 6.549 8.423 ( -1.477 0.207 -4.569) 4.806 8.558 ( -2.207 2.330 0.360) 3.230 8.838 ( 3.758 -5.209 1.055) 6.509 8.906 ( -2.507 -2.891 8.969) 9.751 9.064 ( 9.727 -3.817 1.991) 10.638 9.166 ( -0.481 -5.577 6.163) 8.325 9.603 ( -0.556 9.225 -10.794) 14.210 9.771 ( 0.575 -0.658 -18.686) 18.707 10.089 ( -4.224 -4.636 6.184) 8.808 10.182 ( -0.306 -6.444 -14.199) 15.596 10.436 ( -4.678 5.524 -1.440) 7.380 10.808 ( 4.484 -3.433 15.087) 16.110 11.378 ( -24.234 3.376 -10.886) 26.780 11.715 ( -3.939 -0.419 6.781) 7.853 11.912 ( -7.307 -0.871 3.622) 8.202 12.270 ( -4.133 -0.535 19.748) 20.183 12.706 ( 3.130 -1.172 3.488) 4.831 12.932 ( -6.365 -6.312 -0.498) 8.978 13.115 ( 5.769 1.586 3.504) 6.933 13.281 ( 4.282 -5.676 -7.738) 10.509 13.399 ( 4.104 3.553 -14.238) 15.238 13.538 ( 14.842 2.093 0.660) 15.004 13.924 ( 11.462 12.932 2.349) 17.440 14.489 ( 12.070 -4.220 -3.519) 13.262 17.426 ( 4.562 -0.344 0.410) 4.593 17.525 ( 9.755 -1.984 -1.770) 10.111 17.622 ( -1.888 0.760 4.011) 4.498 17.739 ( 1.737 5.529 -4.070) 7.082 17.974 ( -0.820 -3.630 0.747) 3.796 18.054 ( 2.034 2.782 0.024) 3.446 18.296 ( -0.453 2.259 6.414) 6.815 18.433 ( 1.653 1.638 5.281) 5.771 18.602 ( -7.843 -2.779 -10.054) 13.050 18.647 ( 1.341 -4.485 -2.208) 5.176 18.887 ( -5.506 -1.755 0.857) 5.842 18.923 ( -5.865 -2.698 -2.163) 6.809 18.963 ( -4.813 -5.249 -0.913) 7.180 19.184 ( 3.861 -2.410 4.488) 6.392 19.205 ( -4.399 4.194 4.909) 7.813 19.280 ( 0.202 4.907 6.450) 8.107 19.362 ( 1.554 1.663 5.039) 5.529 19.581 ( -1.175 -0.818 1.153) 1.838 19.657 ( -3.921 2.633 2.904) 5.544 19.782 ( -4.449 -2.735 -4.629) 6.979 19.956 ( -4.347 4.045 -2.024) 6.274 20.057 ( 0.603 1.380 -6.445) 6.619 20.124 ( -0.019 -1.512 -0.677) 1.657 20.241 ( 0.090 -2.204 -0.343) 2.232 23.125 ( -1.037 1.381 4.133) 4.479 23.374 ( 0.819 -4.149 1.598) 4.521 23.436 ( 1.075 1.582 -2.958) 3.522 23.523 ( 3.090 -0.186 -0.489) 3.134 23.921 ( -2.532 7.853 0.388) 8.260 23.979 ( -0.538 5.128 -0.738) 5.208 24.292 ( -0.799 -2.117 0.325) 2.286 24.313 ( -1.328 -0.887 -1.122) 1.952 24.410 ( 0.391 1.386 -1.477) 2.063 24.524 ( 1.350 1.011 -5.267) 5.531 24.681 ( -7.695 1.893 1.767) 8.119 24.949 ( -0.506 -1.769 -0.693) 1.966 25.176 ( -2.840 -3.585 2.775) 5.349 25.251 ( -2.489 -2.138 3.054) 4.482 25.528 ( 1.175 -1.219 -1.503) 2.264 25.682 ( 1.134 -3.376 -7.952) 8.713 25.930 ( -1.194 -0.152 1.102) 1.632 26.275 ( -0.551 -5.379 -1.514) 5.615 26.379 ( 2.535 7.327 1.126) 7.835 26.587 ( 6.544 4.367 -2.582) 8.280 26.803 ( 8.377 0.515 6.367) 10.534 27.043 ( 0.485 -4.919 -0.772) 5.003 27.417 ( -2.914 3.137 2.565) 4.991 27.657 ( -2.422 -1.881 -5.930) 6.676 33.820 ( -8.486 1.647 1.149) 8.720 34.080 ( -6.437 -5.249 0.042) 8.306 34.336 ( -4.626 2.822 1.442) 5.608 34.467 ( 2.108 -0.455 5.267) 5.692 34.773 ( -7.389 1.656 7.007) 10.317 35.029 ( -5.936 -2.585 11.678) 13.353 35.219 ( 3.115 0.843 -7.692) 8.342 35.394 ( 9.291 -3.088 -4.507) 10.778 35.507 ( 13.753 3.467 -2.133) 14.342 35.718 ( 6.602 3.344 -14.926) 16.660 36.111 ( 20.875 0.591 1.599) 20.945 36.345 ( 17.037 -2.731 -2.116) 17.383 37.946 ( -3.248 2.744 1.171) 4.411 38.292 ( -5.620 -5.405 -3.889) 8.713 38.572 ( 9.028 2.298 6.222) 11.202 38.728 ( 9.511 -2.261 10.203) 14.131 38.828 ( -0.818 -0.061 1.876) 2.048 38.977 ( -0.527 4.004 -1.465) 4.296 39.007 ( 1.567 -1.710 -1.047) 2.545 39.214 ( 0.054 -1.693 -6.264) 6.489 39.608 ( -13.374 2.668 -6.284) 15.016 39.687 ( -7.757 1.166 3.859) 8.742 40.171 ( -10.410 -0.982 1.777) 10.606 40.197 ( -12.604 -1.077 -3.451) 13.112 76.979 ( 2.587 -0.876 -2.459) 3.676 77.117 ( -1.307 -7.257 -4.965) 8.889 77.603 ( 14.071 7.590 0.155) 15.988 78.041 ( 22.183 -5.712 14.818) 27.281 78.880 ( -4.663 -4.598 16.792) 18.024 79.051 ( 3.365 -7.657 18.471) 20.276 79.336 ( -15.803 9.532 -10.736) 21.351 79.935 ( -20.159 25.499 -3.731) 32.719 80.251 ( -7.300 -11.582 5.591) 14.788 80.905 ( -10.063 -4.043 -3.044) 11.264 81.195 ( 3.690 0.687 -1.308) 3.975 81.585 ( -13.954 -0.983 -11.181) 17.907 81.710 ( -18.557 1.610 -42.154) 46.086 82.251 ( -8.837 -11.896 9.813) 17.774 82.719 ( 3.554 9.950 -1.232) 10.637 83.021 ( -3.873 2.348 -7.987) 9.182 83.365 ( -15.408 -4.624 -3.819) 16.534 83.655 ( -12.964 -3.655 -5.921) 14.713 84.104 ( -6.803 8.710 3.563) 11.612 84.763 ( 12.299 5.888 10.772) 17.377 86.609 ( 16.606 -7.366 13.277) 22.501 86.986 ( 15.910 -5.145 41.135) 44.404 89.250 ( 10.571 -0.378 5.363) 11.860 89.359 ( 8.137 -2.286 -19.925) 21.644 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.827 10.900 11.679) 17.790 1.327 ( 13.447 9.027 30.548) 34.575 1.701 ( -8.864 14.197 14.926) 22.426 1.929 ( 10.738 -3.947 19.944) 22.993 1.981 ( 1.257 -3.592 12.476) 13.044 2.105 ( -6.079 13.009 2.408) 14.560 2.314 ( 2.477 4.468 -20.281) 20.914 2.356 ( -3.124 7.025 2.791) 8.179 2.759 ( 0.457 -4.689 -8.214) 9.470 2.871 ( 3.476 -7.905 -7.721) 11.584 3.132 ( 6.951 -4.621 -3.406) 9.015 3.435 ( -2.029 -5.030 -0.468) 5.444 3.488 ( 0.197 2.931 -1.718) 3.403 3.683 ( 4.839 0.867 -1.164) 5.052 3.784 ( -9.387 3.871 -3.934) 10.889 3.882 ( -4.102 1.331 -13.791) 14.450 4.473 ( 7.213 5.893 6.617) 11.425 4.550 ( -2.905 7.083 7.813) 10.939 5.196 ( 7.312 -5.462 5.983) 10.913 5.494 ( -0.473 0.009 -6.197) 6.215 5.544 ( -0.250 -0.707 -9.189) 9.220 5.626 ( -5.352 -1.904 0.390) 5.694 5.714 ( -1.392 -3.348 1.320) 3.859 5.825 ( -7.548 1.439 -3.888) 8.612 5.999 ( 4.833 -3.392 -1.871) 6.194 6.133 ( -6.740 -1.539 0.662) 6.945 6.145 ( -1.846 -0.870 -1.708) 2.661 6.291 ( 0.907 0.502 -3.472) 3.623 6.768 ( 0.295 4.371 -0.228) 4.387 6.941 ( -0.159 3.222 0.100) 3.228 7.129 ( 0.432 3.229 -1.035) 3.418 7.424 ( -1.688 -2.177 1.545) 3.158 7.515 ( -3.109 3.589 2.595) 5.411 7.666 ( -2.557 0.498 -5.002) 5.639 8.120 ( 6.553 -4.313 1.391) 7.968 8.211 ( 1.648 -0.872 4.087) 4.492 8.452 ( 4.884 -2.892 -1.934) 5.996 8.544 ( 0.788 2.239 1.400) 2.756 8.784 ( -4.588 -1.376 5.757) 7.490 9.036 ( 6.924 -9.552 1.453) 11.887 9.171 ( 2.809 -7.951 -1.651) 8.593 9.343 ( 12.011 -5.855 11.597) 17.693 9.508 ( -4.331 4.738 -5.249) 8.292 9.782 ( 6.667 1.490 -14.362) 15.904 9.965 ( -7.908 -4.999 2.150) 9.600 10.094 ( -2.982 -6.212 -14.533) 16.084 10.354 ( -4.588 8.850 -4.238) 10.832 10.655 ( -23.076 0.456 -2.509) 23.216 11.205 ( 8.301 5.270 8.529) 13.016 11.709 ( 0.621 1.190 3.460) 3.711 11.872 ( 0.710 -4.004 5.708) 7.008 12.249 ( -3.923 -1.082 13.768) 14.357 12.738 ( -2.348 0.660 4.225) 4.879 12.791 ( -6.263 -6.364 0.530) 8.945 13.102 ( -4.289 3.574 -6.694) 8.716 13.261 ( 1.371 -3.191 -12.012) 12.504 13.527 ( 8.995 6.979 3.745) 11.985 13.904 ( 18.192 -3.327 -0.327) 18.497 14.191 ( 12.149 8.838 5.457) 15.984 14.655 ( 5.861 -3.548 -3.737) 7.804 17.446 ( -2.304 2.013 2.620) 4.028 17.598 ( -1.384 2.328 0.348) 2.730 17.752 ( 12.694 -2.737 -1.104) 13.032 17.820 ( 6.339 2.686 -1.617) 7.072 17.967 ( -0.694 -2.882 2.500) 3.878 18.072 ( 1.732 4.651 -1.268) 5.122 18.293 ( -2.909 -0.458 -4.379) 5.277 18.401 ( -3.243 -10.343 0.729) 10.864 18.506 ( -0.922 4.331 1.750) 4.761 18.660 ( -6.677 -8.406 -3.096) 11.173 18.714 ( -3.016 -1.219 -3.517) 4.791 18.854 ( -1.564 1.454 -1.498) 2.609 18.899 ( 0.129 -3.716 4.114) 5.546 19.094 ( -5.337 3.188 6.655) 9.107 19.254 ( 2.029 3.921 2.992) 5.333 19.343 ( -3.529 0.859 4.903) 6.102 19.453 ( 7.608 2.222 9.604) 12.452 19.569 ( -1.990 0.902 2.046) 2.993 19.601 ( -1.542 0.952 1.862) 2.598 19.652 ( -5.919 -3.197 -2.629) 7.223 19.851 ( -4.903 5.155 -3.778) 8.056 20.022 ( -1.404 1.341 -6.522) 6.805 20.104 ( -0.814 -0.563 -3.521) 3.658 20.234 ( -0.762 -5.156 -1.398) 5.396 23.127 ( -0.216 1.981 4.037) 4.502 23.382 ( 0.499 1.558 -2.897) 3.327 23.466 ( 1.670 -1.706 1.188) 2.667 23.578 ( 2.699 -0.318 -0.163) 2.722 23.876 ( -2.573 9.430 2.189) 10.017 23.962 ( -0.204 4.221 -2.868) 5.107 24.236 ( -2.940 -1.920 -1.965) 4.024 24.301 ( -0.896 0.774 -1.450) 1.873 24.443 ( 3.702 0.826 -2.107) 4.340 24.546 ( -0.060 -0.813 -2.520) 2.648 24.565 ( -1.596 0.698 -0.476) 1.805 24.873 ( -6.626 -4.639 -3.241) 8.713 25.151 ( 0.878 -0.299 1.426) 1.701 25.223 ( -2.069 -0.295 2.756) 3.458 25.541 ( -0.811 -2.098 0.059) 2.250 25.627 ( -4.026 -3.695 -3.530) 6.506 25.973 ( 5.532 2.251 -1.537) 6.167 26.177 ( -6.834 -1.284 0.520) 6.973 26.465 ( 4.149 4.578 4.252) 7.500 26.754 ( 9.135 -0.863 -6.606) 11.306 26.966 ( 5.493 0.580 5.924) 8.100 27.054 ( 1.633 -3.130 -0.082) 3.531 27.324 ( -6.585 3.226 -0.085) 7.333 27.560 ( -5.195 -1.652 -5.982) 8.094 33.733 ( -1.308 1.832 4.855) 5.352 34.000 ( -2.072 -5.351 2.032) 6.088 34.237 ( -4.700 3.972 -1.847) 6.425 34.454 ( -5.255 -2.078 -6.091) 8.309 34.675 ( -3.169 2.969 12.540) 13.271 34.957 ( -5.021 -3.062 11.251) 12.696 35.260 ( 3.629 1.420 -8.687) 9.521 35.546 ( 5.803 -6.232 -9.851) 13.022 35.776 ( 13.380 4.474 0.527) 14.118 35.863 ( 11.250 4.307 -0.993) 12.087 36.386 ( 6.460 0.522 -5.129) 8.265 36.577 ( 5.891 -2.620 -6.165) 8.921 38.003 ( 7.698 1.058 7.035) 10.482 38.231 ( 1.795 -3.903 1.643) 4.600 38.728 ( 1.770 2.677 -3.177) 4.516 38.822 ( 1.440 -1.390 7.035) 7.314 38.894 ( 0.404 -1.257 3.779) 4.003 38.963 ( -1.356 -1.094 0.408) 1.789 39.071 ( 6.006 1.168 3.012) 6.820 39.198 ( 0.464 0.036 -5.426) 5.446 39.376 ( -3.543 3.443 -3.692) 6.168 39.530 ( -8.325 0.488 1.919) 8.557 39.904 ( -14.700 -0.758 -4.008) 15.256 39.927 ( -13.705 -0.359 -2.064) 13.865 77.059 ( 7.188 0.555 2.560) 7.651 77.207 ( 12.394 -2.857 6.389) 14.233 78.002 ( 21.317 3.643 4.824) 22.157 78.395 ( -2.509 -5.999 -2.285) 6.892 78.833 ( -0.335 -4.440 6.604) 7.965 78.841 ( -18.230 -0.235 -7.488) 19.709 79.132 ( -5.667 10.397 17.706) 21.301 79.860 ( 12.501 14.144 13.295) 23.089 80.106 ( -12.750 -6.134 -0.335) 14.153 80.535 ( -22.468 -5.860 -2.851) 23.394 81.176 ( -3.000 1.258 -4.882) 5.867 81.290 ( -2.135 4.300 -17.934) 18.565 81.439 ( -2.302 -2.009 -32.654) 32.797 81.976 ( -14.837 -8.722 2.070) 17.335 82.702 ( -19.060 0.912 -2.302) 19.220 82.917 ( -11.128 2.418 -0.984) 11.430 83.025 ( 3.696 1.184 5.554) 6.776 83.526 ( 1.092 -4.448 -0.496) 4.607 83.971 ( -6.123 8.577 -5.883) 12.069 84.746 ( -7.968 -7.632 -13.375) 17.339 87.369 ( 12.290 -1.902 48.065) 49.648 87.563 ( 52.235 -10.106 39.750) 66.413 89.386 ( 2.043 -0.955 -1.661) 2.801 89.435 ( 5.764 -0.720 -17.759) 18.685 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.509 15.344 16.890) 22.869 1.664 ( -1.334 -12.732 15.345) 19.983 1.980 ( 0.119 23.707 0.405) 23.711 2.133 ( 3.131 8.044 5.576) 10.276 2.209 ( 12.058 2.482 15.890) 20.101 2.413 ( 4.668 7.187 9.516) 12.807 2.442 ( 9.544 -2.089 5.754) 11.339 2.464 ( 10.205 0.742 -3.307) 10.753 2.585 ( 2.206 -10.428 0.687) 10.681 2.666 ( 0.247 -10.158 -5.231) 11.429 3.193 ( -1.478 4.481 -1.145) 4.856 3.320 ( 0.499 -4.716 1.375) 4.937 3.499 ( -2.446 6.216 -9.445) 11.569 3.643 ( -2.689 -4.811 -7.774) 9.530 3.736 ( -4.552 2.632 -8.000) 9.573 3.755 ( -5.532 0.746 -12.494) 13.685 4.609 ( -2.834 10.662 11.510) 15.944 4.817 ( 2.048 -2.701 9.822) 10.390 5.122 ( -0.459 1.007 6.077) 6.176 5.311 ( -2.896 -8.449 2.110) 9.178 5.467 ( -10.939 0.273 -4.819) 11.957 5.553 ( -8.646 -4.993 -6.961) 12.171 5.669 ( 2.791 5.204 -7.887) 9.853 5.738 ( 5.351 -0.687 -6.156) 8.185 5.922 ( -4.506 1.555 1.320) 4.946 6.004 ( 3.540 -4.983 0.999) 6.194 6.164 ( 0.256 3.246 -4.453) 5.516 6.245 ( 1.277 -3.852 -7.603) 8.618 6.931 ( 1.182 5.971 2.032) 6.418 7.003 ( 1.721 -0.146 0.711) 1.868 7.240 ( -0.517 4.034 -1.117) 4.217 7.294 ( -5.259 -0.837 -1.289) 5.479 7.544 ( -1.775 3.225 1.711) 4.060 7.615 ( -1.342 -2.474 -2.017) 3.463 8.084 ( 0.493 -3.332 1.494) 3.685 8.133 ( 2.112 -7.236 0.415) 7.550 8.572 ( -0.520 3.874 3.620) 5.328 8.649 ( -0.485 0.408 7.139) 7.167 8.670 ( 2.740 2.018 0.905) 3.521 8.885 ( 4.342 -12.873 1.569) 13.676 9.197 ( 1.598 5.333 1.370) 5.733 9.336 ( 7.028 -6.918 3.447) 10.447 9.529 ( -3.335 3.143 -2.551) 5.244 9.644 ( -10.956 -6.169 -4.236) 13.268 9.998 ( 9.719 4.050 -8.346) 13.436 10.055 ( 9.374 -1.291 -6.238) 11.334 10.329 ( -10.515 2.567 -4.725) 11.810 10.360 ( -2.734 -0.080 -4.141) 4.963 11.552 ( 6.693 7.687 8.572) 13.318 11.719 ( 5.175 -6.367 3.477) 8.912 11.931 ( -0.693 6.047 4.136) 7.358 12.100 ( -2.127 -8.209 2.535) 8.851 12.628 ( -7.667 3.214 7.943) 11.498 12.689 ( -5.763 -1.585 7.910) 9.915 13.091 ( 0.448 2.838 -8.142) 8.634 13.179 ( 1.920 -4.846 -8.028) 9.572 13.853 ( 3.992 8.330 1.282) 9.326 14.019 ( 5.333 -6.944 -2.779) 9.187 14.519 ( 2.662 5.448 2.283) 6.479 14.617 ( -0.405 -3.537 -1.652) 3.925 17.510 ( -1.201 6.119 2.885) 6.871 17.639 ( -0.695 -1.671 -0.211) 1.822 17.759 ( -0.248 -0.351 2.164) 2.206 17.886 ( -1.314 -6.992 0.325) 7.121 18.012 ( 3.796 3.848 -1.745) 5.680 18.083 ( 0.449 -2.773 -4.553) 5.350 18.191 ( -1.105 1.314 -2.212) 2.800 18.272 ( -9.750 -3.620 -4.003) 11.144 18.441 ( 7.197 2.879 2.952) 8.295 18.552 ( 3.723 -5.251 1.337) 6.574 18.613 ( -1.009 2.961 -3.106) 4.408 18.725 ( 0.526 -6.073 -4.457) 7.551 19.071 ( -0.818 6.332 6.727) 9.274 19.181 ( 1.344 -1.186 4.380) 4.733 19.230 ( -2.125 3.379 4.616) 6.103 19.327 ( -1.329 -3.297 2.616) 4.413 19.511 ( -2.862 2.517 1.575) 4.124 19.573 ( -0.299 2.920 6.603) 7.225 19.589 ( -0.125 -2.717 2.744) 3.863 19.640 ( 2.378 -2.063 1.625) 3.543 19.900 ( -1.579 5.896 -4.953) 7.861 19.966 ( -4.022 -0.239 -5.810) 7.071 20.070 ( 1.554 -0.178 -1.724) 2.328 20.116 ( 2.088 -4.192 -1.893) 5.052 23.223 ( 0.273 4.355 5.546) 7.057 23.325 ( -0.103 -4.975 5.831) 7.666 23.556 ( 2.224 4.402 -9.122) 10.369 23.620 ( 3.254 -1.634 -5.084) 6.254 23.972 ( -4.605 3.730 0.683) 5.966 24.005 ( -2.034 0.476 -3.164) 3.792 24.204 ( -0.437 4.405 1.222) 4.593 24.288 ( -0.219 -1.373 -0.270) 1.416 24.492 ( -2.557 0.625 -0.555) 2.690 24.511 ( 1.215 -0.828 -1.202) 1.899 24.600 ( 4.216 -0.241 -3.952) 5.784 24.644 ( 0.237 -3.671 -4.936) 6.156 25.208 ( 1.196 0.974 1.149) 1.923 25.218 ( 2.020 0.300 1.177) 2.357 25.426 ( -6.226 -1.035 2.016) 6.625 25.452 ( -5.778 -3.065 0.060) 6.541 26.085 ( -0.676 0.969 0.121) 1.188 26.106 ( 3.121 -0.718 -0.134) 3.205 26.652 ( 2.490 5.265 0.990) 5.907 26.754 ( 1.307 -3.890 -2.708) 4.917 27.087 ( 3.927 1.438 2.488) 4.866 27.113 ( 5.524 -1.069 1.577) 5.843 27.281 ( -6.000 3.878 -1.183) 7.241 27.363 ( -6.946 -3.365 -3.285) 8.388 33.851 ( 4.944 2.942 6.941) 9.016 33.925 ( 3.636 -3.757 5.206) 7.378 34.202 ( -4.704 2.445 -6.264) 8.206 34.252 ( -5.756 -2.007 -8.338) 10.329 34.757 ( -1.944 2.915 13.436) 13.885 34.829 ( -3.780 -3.628 12.099) 13.185 35.362 ( 3.980 3.799 -10.118) 11.517 35.458 ( 3.332 -4.970 -12.126) 13.522 36.100 ( 8.025 3.883 2.938) 9.386 36.138 ( 9.093 0.796 3.218) 9.678 36.340 ( -10.416 1.648 -6.591) 12.435 36.414 ( -10.873 -4.370 -7.267) 13.789 38.253 ( 9.614 1.956 10.060) 14.052 38.311 ( 9.672 -3.284 9.935) 14.249 38.638 ( -12.204 1.957 -7.287) 14.349 38.673 ( -14.410 -1.134 -6.194) 15.725 38.913 ( 3.690 2.017 5.773) 7.142 38.971 ( 5.696 -3.266 4.995) 8.250 39.206 ( 1.713 0.405 -4.881) 5.189 39.218 ( 3.467 -0.481 -6.174) 7.097 39.476 ( 4.635 3.490 3.674) 6.868 39.538 ( 9.040 -1.399 2.190) 9.406 39.628 ( -11.169 2.258 -2.076) 11.582 39.681 ( -6.355 -1.948 -3.881) 7.697 77.340 ( 12.012 2.665 10.199) 15.982 77.438 ( 13.210 -6.228 10.128) 17.773 78.045 ( -19.301 4.197 -10.983) 22.600 78.100 ( -14.146 -0.719 -8.117) 16.325 78.745 ( 3.924 1.871 8.091) 9.185 78.839 ( 4.835 -6.213 10.980) 13.510 79.190 ( -9.975 1.868 -6.734) 12.179 79.318 ( -17.483 -8.994 -9.438) 21.809 80.332 ( 1.199 15.096 13.608) 20.359 80.572 ( 6.675 -5.790 11.541) 14.536 81.245 ( 8.829 5.791 -23.475) 25.740 81.331 ( 9.971 -1.611 -30.029) 31.682 81.522 ( 15.627 7.272 14.695) 22.651 81.743 ( 9.950 -11.231 18.863) 24.102 82.301 ( -18.250 10.038 -14.739) 25.516 82.538 ( -13.569 -11.020 -11.593) 20.976 83.401 ( 12.227 8.018 9.293) 17.324 83.560 ( 9.892 -6.118 10.227) 15.488 84.037 ( -8.198 12.128 -12.907) 19.516 84.299 ( -9.409 -11.127 -15.375) 21.184 87.766 ( 7.818 9.428 42.899) 44.613 88.088 ( 21.430 -21.126 34.670) 45.908 89.306 ( -8.733 2.412 -9.220) 12.926 89.375 ( -2.729 -3.797 -15.507) 16.197 ======================= Grid point 102 (57/78) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -1.584 10.668 13.618) 17.372 1.638 ( -4.335 -13.594 11.541) 18.352 1.989 ( -1.490 21.097 -4.116) 21.546 2.107 ( 1.188 11.554 -1.975) 11.781 2.346 ( 5.076 0.655 -7.186) 8.822 2.461 ( -4.180 -8.351 -4.900) 10.546 2.548 ( 9.640 2.354 -11.145) 14.923 2.703 ( 4.752 -7.252 -6.214) 10.667 2.857 ( 15.484 4.128 25.551) 30.161 2.911 ( 13.880 -1.623 18.053) 22.829 3.138 ( 0.647 2.043 -0.677) 2.247 3.238 ( -8.188 -5.510 -12.562) 15.975 3.379 ( -6.009 5.161 -14.209) 16.267 3.467 ( -7.063 -2.027 -13.302) 15.197 3.650 ( -1.809 2.307 -1.154) 3.151 3.675 ( -0.979 0.481 -0.207) 1.111 4.652 ( 1.639 11.339 15.049) 18.914 4.887 ( -0.389 -5.771 8.066) 9.926 5.067 ( -10.024 3.837 -2.511) 11.023 5.124 ( -10.988 9.908 1.032) 14.831 5.297 ( -1.817 -11.736 -0.866) 11.908 5.375 ( -4.733 -12.010 1.397) 12.984 5.723 ( 2.728 3.838 -0.807) 4.778 5.784 ( 0.687 -0.939 -4.236) 4.393 5.970 ( 6.949 5.002 2.437) 8.902 6.090 ( 3.235 -4.918 3.438) 6.818 6.176 ( 2.772 3.711 -4.532) 6.481 6.268 ( 4.089 -4.195 -7.417) 9.452 6.934 ( -1.990 7.136 1.163) 7.499 7.029 ( 0.841 -0.443 -0.806) 1.246 7.161 ( -5.614 2.075 -0.169) 5.987 7.229 ( -1.643 -3.001 1.495) 3.733 7.541 ( 0.099 1.366 3.012) 3.309 7.585 ( -1.157 -2.412 -0.198) 2.682 8.088 ( 0.205 0.477 -0.107) 0.530 8.177 ( 1.642 -6.194 -0.458) 6.425 8.558 ( -1.843 2.487 2.596) 4.040 8.630 ( -0.626 -3.849 3.365) 5.151 8.788 ( 4.832 5.270 2.579) 7.601 8.966 ( 3.087 -11.344 -0.005) 11.756 9.138 ( -4.879 9.707 -3.871) 11.533 9.347 ( -11.986 -5.063 -1.264) 13.072 9.492 ( 5.992 -3.910 -0.756) 7.194 9.550 ( 1.528 -5.813 -0.171) 6.013 9.993 ( -3.937 5.183 -12.657) 14.233 10.102 ( -1.416 -4.068 -13.568) 14.235 10.364 ( 14.986 11.715 4.265) 19.494 10.568 ( 19.470 -5.535 2.482) 20.393 11.634 ( -1.982 6.787 3.080) 7.712 11.764 ( -0.679 -2.572 -1.584) 3.096 11.969 ( 3.108 0.403 7.494) 8.123 12.062 ( -1.620 -7.156 -3.262) 8.030 12.545 ( -2.981 5.927 14.282) 15.747 12.626 ( -2.988 -0.739 12.470) 12.845 13.075 ( -0.645 1.641 -6.825) 7.049 13.175 ( -0.193 -6.153 -7.952) 10.056 13.844 ( -4.610 8.089 -2.575) 9.660 14.002 ( -4.695 -6.498 -7.857) 11.225 14.488 ( -6.754 2.118 1.253) 7.188 14.514 ( -8.560 -0.429 -2.270) 8.866 17.504 ( -1.129 4.542 4.210) 6.295 17.586 ( -4.120 -1.243 0.090) 4.304 17.766 ( -2.923 -1.434 2.071) 3.859 17.832 ( -0.619 -5.891 0.924) 5.995 17.996 ( -3.253 4.712 -3.953) 6.958 18.079 ( -2.305 -1.123 -5.528) 6.094 18.132 ( 1.007 2.282 -1.431) 2.875 18.235 ( 3.905 -6.999 2.478) 8.389 18.584 ( 0.425 0.611 1.163) 1.381 18.597 ( 4.240 -1.164 2.335) 4.979 18.706 ( 9.243 0.797 -4.229) 10.196 18.741 ( 5.094 -0.937 -4.523) 6.876 19.089 ( -0.416 4.056 3.196) 5.181 19.188 ( -1.211 -0.758 3.761) 4.023 19.206 ( -0.590 0.064 6.966) 6.991 19.299 ( -2.204 -5.006 2.601) 6.057 19.506 ( -3.162 4.623 2.836) 6.278 19.545 ( 2.916 4.225 -0.180) 5.137 19.637 ( 0.423 -1.409 8.542) 8.668 19.711 ( 3.467 -5.158 0.617) 6.246 19.865 ( -1.157 2.740 -4.261) 5.196 19.889 ( -0.901 0.533 -2.290) 2.518 20.121 ( 3.394 1.147 -1.368) 3.835 20.162 ( 3.360 -2.155 -4.215) 5.805 23.235 ( -1.072 4.072 4.810) 6.393 23.328 ( -1.595 -4.296 4.709) 6.570 23.548 ( 0.190 5.364 -9.059) 10.530 23.639 ( 0.132 -3.099 -6.744) 7.423 23.910 ( -1.159 3.212 2.112) 4.015 23.961 ( -1.090 -1.622 0.703) 2.077 24.211 ( 0.360 5.042 1.365) 5.236 24.278 ( -0.450 0.178 -0.117) 0.498 24.438 ( -2.147 1.554 -0.630) 2.724 24.484 ( -1.549 -1.193 -1.221) 2.305 24.725 ( 9.566 -1.291 -4.221) 10.536 24.742 ( 8.572 -2.409 -3.223) 9.469 25.230 ( 0.551 3.178 -0.719) 3.305 25.286 ( 3.543 -0.662 1.026) 3.748 25.310 ( -5.395 -2.444 6.224) 8.591 25.335 ( -5.455 -3.516 2.036) 6.802 26.068 ( -1.219 3.219 -1.877) 3.921 26.155 ( 0.982 -4.411 -0.335) 4.532 26.677 ( -0.506 4.391 -0.740) 4.481 26.737 ( -1.459 -1.203 -1.488) 2.406 27.100 ( -3.516 4.994 -3.713) 7.148 27.193 ( -1.738 -3.003 -3.369) 4.836 27.216 ( -1.396 1.314 5.325) 5.659 27.266 ( 3.491 -2.771 3.496) 5.665 34.016 ( 7.310 0.975 5.020) 8.922 34.031 ( 3.951 -0.199 0.521) 3.990 34.130 ( 1.450 0.476 -1.662) 2.257 34.155 ( 0.252 -1.499 -4.027) 4.304 34.761 ( -2.558 1.138 12.583) 12.890 34.798 ( -3.781 -2.343 12.236) 13.020 35.404 ( 4.047 3.882 -11.173) 12.501 35.478 ( 3.389 -3.025 -12.176) 12.995 35.991 ( -19.228 1.438 -4.911) 19.898 36.044 ( -19.065 -2.805 -6.200) 20.243 36.244 ( -0.942 1.529 2.758) 3.291 36.263 ( 1.013 0.017 5.515) 5.608 38.305 ( -12.984 0.998 -4.976) 13.940 38.330 ( -12.855 -1.151 -4.365) 13.625 38.445 ( 1.547 3.218 8.573) 9.286 38.525 ( 3.446 -3.977 10.864) 12.071 39.039 ( 6.038 1.926 1.963) 6.634 39.082 ( 2.446 -2.068 -0.130) 3.205 39.230 ( 3.172 1.105 -6.072) 6.939 39.261 ( 2.399 -1.498 -8.001) 8.486 39.436 ( -4.474 3.246 -1.185) 5.653 39.491 ( 2.265 -1.498 1.322) 3.020 39.779 ( 13.639 2.860 2.314) 14.127 39.837 ( 14.937 -2.538 1.525) 15.227 77.321 ( -15.975 1.256 -4.088) 16.538 77.385 ( -16.605 -4.544 -4.101) 17.697 77.946 ( 8.387 5.753 10.207) 14.409 78.076 ( 6.953 -6.082 5.526) 10.764 78.591 ( -8.515 7.238 4.423) 12.019 78.804 ( -4.089 -12.036 9.051) 15.605 79.189 ( 5.592 1.229 4.190) 7.095 79.310 ( 3.785 -9.042 4.375) 10.734 80.386 ( 4.905 13.479 2.195) 14.511 80.597 ( 1.353 -5.831 -3.232) 6.803 81.328 ( 6.316 7.222 -20.821) 22.925 81.388 ( 7.808 1.866 -18.655) 20.309 81.913 ( -2.131 11.631 -10.431) 15.768 82.212 ( 7.497 -4.071 -0.936) 8.583 82.221 ( 30.553 -2.197 11.566) 32.743 82.415 ( 19.802 -9.538 2.888) 22.169 83.620 ( 1.496 5.629 2.848) 6.484 83.709 ( -0.069 0.397 3.033) 3.059 83.886 ( 1.230 5.509 -1.350) 5.803 84.062 ( -5.922 -7.571 -12.927) 16.109 87.972 ( -0.537 14.614 31.992) 35.176 88.416 ( 2.209 -25.486 13.643) 28.992 88.975 ( -19.571 7.973 -11.476) 24.048 89.182 ( -11.617 -11.140 -9.999) 18.948 ======================= Grid point 103 (58/78) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 4.254 5.235 4.899) 8.337 1.622 ( 0.141 -11.887 4.249) 12.625 1.880 ( -4.827 12.611 -11.109) 17.486 2.125 ( -4.340 -6.339 -4.168) 8.740 2.355 ( 0.129 5.568 -3.575) 6.618 2.413 ( 2.155 2.498 -10.796) 11.289 2.665 ( 3.681 0.868 -12.791) 13.338 2.720 ( -2.314 -2.262 -21.607) 21.848 2.920 ( -5.988 0.159 -15.899) 16.990 2.950 ( -1.721 -1.734 -4.126) 4.795 3.082 ( -1.449 9.271 -7.870) 12.247 3.257 ( -1.802 -6.011 -1.468) 6.445 3.405 ( 8.391 -0.069 8.982) 12.292 3.435 ( 8.334 -2.167 11.432) 14.313 3.640 ( -0.532 4.816 4.108) 6.352 3.675 ( 1.756 1.176 5.461) 5.855 4.559 ( -15.588 4.405 0.974) 16.228 4.692 ( -16.770 -6.440 -0.652) 17.976 4.982 ( 6.981 16.937 7.430) 19.768 5.149 ( 6.911 8.726 11.209) 15.797 5.348 ( 0.241 -8.817 7.405) 11.516 5.402 ( 8.139 -16.019 7.082) 19.313 5.749 ( 0.554 1.617 -1.357) 2.183 5.763 ( -1.708 1.413 -1.576) 2.720 6.094 ( 3.295 0.674 2.332) 4.092 6.135 ( 0.562 -1.833 1.951) 2.735 6.251 ( 5.985 5.510 -1.758) 8.323 6.338 ( 3.056 -1.921 1.927) 4.092 6.866 ( -4.230 6.034 -1.342) 7.490 6.993 ( -4.348 -4.955 -1.568) 6.777 7.109 ( 0.761 1.235 -0.664) 1.595 7.203 ( -2.036 -6.771 2.404) 7.468 7.558 ( 0.191 0.455 3.503) 3.538 7.571 ( -0.834 -0.922 2.650) 2.927 8.097 ( 1.078 3.777 -2.021) 4.418 8.177 ( -1.367 -2.623 -2.312) 3.754 8.535 ( -0.599 3.904 0.258) 3.958 8.640 ( 0.115 -4.901 1.884) 5.252 8.810 ( -2.529 5.018 -4.460) 7.174 8.955 ( -4.200 -8.379 -4.611) 10.445 9.086 ( 0.935 5.509 2.673) 6.195 9.182 ( -3.571 -2.227 2.736) 5.020 9.550 ( 0.788 -2.793 -1.348) 3.200 9.615 ( 4.873 -8.519 -3.515) 10.425 9.905 ( 0.198 6.532 -10.911) 12.718 10.042 ( 0.239 -5.579 -9.202) 10.764 10.700 ( 13.979 13.224 0.814) 19.261 10.968 ( 17.035 -9.088 0.963) 19.331 11.512 ( -5.510 9.891 -4.426) 12.157 11.717 ( -1.466 -7.545 -2.413) 8.056 12.069 ( 2.729 -0.675 5.369) 6.061 12.110 ( 6.799 -4.399 11.157) 13.786 12.620 ( 3.953 7.105 15.100) 17.150 12.682 ( 3.755 2.638 11.882) 12.737 12.983 ( -6.579 -0.023 -5.293) 8.444 13.112 ( -2.356 -8.829 -9.364) 13.084 13.666 ( -11.367 7.021 -6.553) 14.881 13.804 ( -11.046 -5.328 -12.312) 17.378 14.270 ( -12.413 3.305 -2.566) 13.099 14.324 ( -10.401 -1.204 0.474) 10.481 17.462 ( -4.401 1.104 1.444) 4.762 17.493 ( -5.313 -2.045 -0.521) 5.717 17.686 ( -3.017 3.221 0.709) 4.470 17.799 ( -5.254 -6.092 1.425) 8.169 17.973 ( 1.955 4.447 -1.947) 5.234 18.056 ( 2.195 -3.530 0.051) 4.157 18.181 ( 3.033 6.105 0.183) 6.819 18.325 ( 3.501 -5.972 2.208) 7.266 18.599 ( -0.177 1.863 1.080) 2.161 18.643 ( 2.923 -2.250 1.946) 4.170 18.815 ( 4.337 4.255 -3.641) 7.083 18.896 ( 6.122 -2.907 -4.342) 8.049 19.070 ( -0.399 5.096 1.350) 5.286 19.195 ( -1.918 -2.859 3.452) 4.875 19.238 ( 0.583 -2.867 4.996) 5.790 19.298 ( 3.716 -4.678 4.397) 7.417 19.475 ( 0.828 7.003 -0.180) 7.054 19.614 ( 1.530 -4.692 -0.274) 4.943 19.668 ( 1.362 3.636 3.275) 5.080 19.755 ( 1.792 -2.852 2.405) 4.139 19.853 ( 0.415 2.220 -0.718) 2.370 19.883 ( 0.062 -0.418 -2.872) 2.903 20.175 ( 2.326 1.704 -0.048) 2.884 20.212 ( 2.736 -1.118 -1.929) 3.530 23.219 ( -1.870 3.312 4.046) 5.553 23.301 ( -2.447 -3.949 3.526) 5.832 23.504 ( -1.317 4.245 -7.030) 8.317 23.579 ( -2.968 -2.500 -6.222) 7.333 23.937 ( 2.290 2.601 2.086) 4.044 23.993 ( 3.131 -2.426 4.760) 6.193 24.210 ( -0.439 4.513 -1.735) 4.855 24.279 ( 0.528 -1.000 -0.621) 1.290 24.423 ( 0.727 3.614 1.474) 3.970 24.471 ( 0.299 0.434 0.958) 1.094 24.904 ( 8.233 -1.421 -3.506) 9.061 24.910 ( 9.551 -2.237 -4.558) 10.817 25.173 ( -4.347 0.818 3.910) 5.904 25.217 ( -5.707 -2.920 6.306) 8.992 25.347 ( 4.403 0.420 0.676) 4.475 25.387 ( 6.079 -2.956 -2.326) 7.148 26.007 ( -4.108 3.480 -2.657) 6.004 26.118 ( -4.313 -6.414 -2.287) 8.060 26.622 ( -3.950 6.432 0.225) 7.552 26.720 ( -0.526 -2.335 1.316) 2.731 26.993 ( -5.291 4.386 -3.845) 7.875 27.066 ( -5.733 -2.190 -3.806) 7.222 27.293 ( 3.334 3.467 7.707) 9.085 27.383 ( 5.852 -4.525 2.288) 7.743 34.035 ( 2.262 2.168 -5.851) 6.637 34.090 ( 2.238 -2.818 -4.897) 6.077 34.290 ( 10.501 0.931 5.951) 12.106 34.309 ( 10.368 -0.724 6.407) 12.209 34.757 ( -1.629 0.155 11.846) 11.959 34.777 ( -2.366 -1.820 12.486) 12.838 35.405 ( -4.115 7.155 -9.062) 12.258 35.498 ( 0.685 1.957 -9.108) 9.341 35.563 ( -19.695 -2.712 -4.243) 20.329 35.647 ( -12.986 -6.975 -8.045) 16.793 36.157 ( -9.375 3.244 1.569) 10.044 36.199 ( -9.051 -0.664 2.975) 9.551 38.076 ( -6.828 1.712 -2.815) 7.582 38.120 ( -5.664 -2.188 -1.463) 6.246 38.490 ( -1.174 4.209 9.753) 10.687 38.589 ( -0.823 -4.680 11.141) 12.112 39.055 ( -1.986 1.814 -7.398) 7.872 39.102 ( 0.144 -2.292 -6.563) 6.954 39.201 ( -2.141 0.779 -4.325) 4.889 39.221 ( -1.949 -1.181 -6.602) 6.985 39.538 ( 11.160 6.743 2.213) 13.225 39.671 ( 11.418 -5.481 2.690) 12.948 40.054 ( 12.425 3.611 2.846) 13.249 40.126 ( 12.940 -2.934 1.674) 13.374 77.020 ( -10.661 0.304 -4.011) 11.395 77.060 ( -12.457 -3.388 -3.844) 13.470 77.925 ( -14.244 4.093 -4.335) 15.441 78.024 ( -5.470 -4.691 4.649) 8.576 78.824 ( 15.792 7.503 20.607) 27.024 79.013 ( 19.353 -8.976 12.315) 24.633 79.160 ( -8.673 -0.385 13.195) 15.795 79.302 ( -4.931 -12.633 3.856) 14.099 80.577 ( 12.983 9.538 -10.143) 19.037 80.722 ( 11.115 -3.974 -13.244) 17.741 81.463 ( 15.338 8.582 -7.815) 19.235 81.560 ( 15.940 1.635 -4.269) 16.583 81.823 ( 0.350 15.602 -14.883) 21.565 82.174 ( 1.067 -12.657 -11.560) 17.175 82.813 ( 14.912 5.836 13.499) 20.944 82.982 ( 20.493 -7.402 15.575) 26.783 83.440 ( -6.151 4.550 -15.468) 17.257 83.564 ( -10.798 -6.567 -17.356) 21.470 84.042 ( 11.244 7.609 11.674) 17.905 84.162 ( 10.710 -2.826 15.533) 19.078 87.899 ( -17.580 13.377 -8.316) 23.604 88.230 ( -17.947 -11.670 -10.735) 23.948 88.602 ( -12.935 7.769 0.125) 15.089 88.941 ( -9.270 -20.037 8.900) 23.804 ======================= Grid point 104 (59/78) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 7.463 2.446 -1.695) 8.035 1.670 ( 3.616 -8.453 -2.779) 9.605 1.732 ( -4.330 1.853 -21.168) 21.685 1.868 ( -13.975 -10.273 -22.076) 28.075 2.321 ( -3.100 5.246 -13.037) 14.391 2.401 ( -4.072 -1.665 -15.301) 15.921 2.488 ( -1.693 8.171 -13.430) 15.811 2.632 ( -0.634 -5.044 -9.931) 11.157 2.838 ( -1.641 5.372 -1.669) 5.860 2.956 ( -1.290 -3.721 1.624) 4.260 3.089 ( 4.293 3.391 -9.194) 10.699 3.156 ( -3.313 -3.337 -8.411) 9.637 3.491 ( -1.704 3.564 2.210) 4.527 3.524 ( -1.733 1.353 1.855) 2.876 3.757 ( 9.082 4.791 10.896) 14.972 3.830 ( 7.955 -1.463 10.625) 13.354 4.298 ( -8.175 4.074 -1.145) 9.205 4.391 ( -11.471 -4.041 -1.736) 12.286 5.172 ( 7.257 12.733 9.232) 17.321 5.349 ( 4.919 4.109 11.105) 12.822 5.437 ( 8.039 -1.777 12.451) 14.927 5.601 ( 6.356 -8.903 7.888) 13.487 5.702 ( -3.508 3.807 -2.498) 5.748 5.771 ( 3.837 -3.836 -0.364) 5.438 6.121 ( -0.996 0.027 1.718) 1.986 6.135 ( -0.795 0.117 0.773) 1.115 6.331 ( -1.324 4.294 7.811) 9.011 6.395 ( 1.541 0.087 8.713) 8.848 6.782 ( -3.055 2.329 -3.672) 5.314 6.892 ( -4.582 -6.622 -2.254) 8.363 7.140 ( 2.211 -3.103 -2.715) 4.678 7.171 ( -0.673 -5.846 -0.890) 5.952 7.559 ( -1.122 0.966 2.888) 3.245 7.572 ( -0.403 -0.332 3.349) 3.389 8.103 ( -0.204 2.748 -3.847) 4.731 8.114 ( -2.855 1.605 -3.916) 5.105 8.542 ( 1.082 3.839 -0.266) 3.997 8.637 ( -0.654 -4.653 0.305) 4.708 8.752 ( -0.444 3.564 -2.981) 4.668 8.832 ( -5.362 -3.848 -3.360) 7.406 9.125 ( 0.151 1.968 4.593) 4.999 9.164 ( -1.095 -2.122 4.195) 4.827 9.566 ( 3.040 1.484 -6.828) 7.620 9.691 ( 5.718 -8.612 -10.810) 14.957 9.922 ( 3.391 5.125 -3.202) 6.930 10.046 ( 1.767 -6.116 -0.696) 6.405 10.786 ( -3.418 10.622 -8.960) 14.311 11.035 ( -6.662 -11.289 -12.346) 18.007 11.635 ( 15.000 11.021 10.163) 21.208 11.834 ( 13.503 -7.417 5.614) 16.397 12.155 ( 1.835 3.787 11.645) 12.382 12.285 ( 5.635 -7.271 14.128) 16.859 12.683 ( -6.355 4.120 4.840) 8.988 12.792 ( -9.070 -6.304 1.364) 11.130 12.838 ( 7.351 13.439 0.245) 15.320 13.106 ( 7.365 -8.301 -8.854) 14.197 13.381 ( -12.604 3.029 -6.590) 14.542 13.502 ( -14.093 -6.327 -13.234) 20.342 14.056 ( -7.213 5.877 -2.129) 9.545 14.140 ( -7.597 -1.601 -0.506) 7.781 17.369 ( -4.106 -0.272 -2.441) 4.784 17.380 ( -4.618 -1.328 -3.483) 5.935 17.655 ( -1.391 1.036 2.106) 2.728 17.705 ( -3.815 -3.225 1.288) 5.159 18.003 ( 1.391 5.683 1.702) 6.093 18.136 ( 3.546 -5.808 5.554) 8.784 18.226 ( 1.189 7.962 -1.215) 8.142 18.379 ( 1.457 -4.671 1.690) 5.176 18.609 ( 0.729 4.720 3.880) 6.153 18.721 ( 2.326 -5.308 4.840) 7.551 18.832 ( -0.148 5.065 -5.863) 7.750 18.922 ( 0.781 -4.091 -8.303) 9.289 19.091 ( 1.092 1.821 6.009) 6.373 19.154 ( -2.063 -4.135 2.045) 5.054 19.283 ( 0.328 3.495 1.866) 3.976 19.382 ( 1.742 -5.283 -2.389) 6.054 19.549 ( 5.544 4.201 0.945) 7.020 19.619 ( 1.998 -1.950 0.825) 2.911 19.719 ( 2.066 3.625 1.105) 4.317 19.799 ( -0.092 -2.569 1.767) 3.119 19.851 ( -0.363 0.848 -0.302) 0.971 19.867 ( 1.146 -1.542 -2.648) 3.271 20.212 ( 0.896 2.386 2.398) 3.499 20.253 ( 1.516 -0.867 0.689) 1.877 23.199 ( -1.697 2.477 4.487) 5.399 23.268 ( -2.011 -3.692 3.561) 5.509 23.457 ( -0.801 2.401 -6.047) 6.555 23.503 ( -2.240 -1.671 -5.701) 6.349 24.000 ( 2.761 3.824 3.114) 5.652 24.084 ( 3.490 -3.660 5.189) 7.246 24.193 ( -0.325 5.078 -2.529) 5.683 24.285 ( 0.760 -3.141 -2.841) 4.303 24.469 ( 2.376 4.468 3.822) 6.342 24.499 ( 1.832 1.888 2.073) 3.349 24.977 ( -0.438 -0.782 0.848) 1.233 25.009 ( -0.654 -3.790 0.585) 3.890 25.164 ( 2.873 0.344 -1.530) 3.273 25.171 ( 0.497 -0.403 0.831) 1.049 25.449 ( 5.590 0.804 -1.433) 5.826 25.506 ( 6.377 -4.311 -3.322) 8.384 25.914 ( -3.274 1.523 -2.154) 4.205 25.997 ( -5.432 -5.721 -3.858) 8.782 26.555 ( -3.044 8.254 2.848) 9.247 26.699 ( -3.456 -4.941 4.543) 7.550 26.874 ( -5.018 5.286 -3.470) 8.073 26.959 ( -3.548 -2.640 -3.521) 5.653 27.389 ( 3.674 4.851 6.385) 8.821 27.499 ( 5.114 -5.001 1.407) 7.290 34.107 ( 6.501 1.659 -2.977) 7.340 34.149 ( 4.956 -2.198 -1.887) 5.740 34.460 ( 3.403 0.249 1.511) 3.731 34.483 ( 2.084 -1.812 1.751) 3.270 34.841 ( 7.524 0.349 12.843) 14.889 34.850 ( 6.941 -0.238 12.546) 14.340 35.095 ( -17.569 3.499 1.514) 17.978 35.150 ( -18.081 -1.380 1.824) 18.226 35.531 ( 4.430 1.779 -11.708) 12.643 35.586 ( 3.008 -3.136 -10.351) 11.226 35.912 ( -13.459 2.605 -4.691) 14.489 35.957 ( -14.361 -1.366 -2.666) 14.670 38.031 ( 1.873 2.541 2.543) 4.053 38.095 ( 2.015 -3.157 3.724) 5.282 38.471 ( -3.955 4.984 7.769) 10.042 38.584 ( -3.463 -5.100 9.455) 11.287 38.978 ( -2.228 2.073 -8.684) 9.202 39.031 ( -2.633 -2.560 -10.410) 11.039 39.152 ( -1.336 1.910 -4.259) 4.855 39.194 ( 0.579 -1.991 -5.515) 5.892 39.752 ( 8.271 5.817 3.242) 10.618 39.871 ( 7.093 -4.912 1.632) 8.781 40.264 ( 7.345 3.378 3.122) 8.667 40.336 ( 7.465 -3.106 1.178) 8.171 76.876 ( -3.574 -0.904 -1.302) 3.910 76.899 ( -3.082 -3.315 -0.546) 4.559 77.658 ( -9.792 8.595 -6.330) 14.486 77.870 ( -8.576 -10.799 -4.279) 14.439 78.907 ( -8.723 5.341 9.521) 13.974 79.038 ( -11.084 -4.532 16.506) 20.392 79.412 ( 17.315 -2.098 6.821) 18.728 79.527 ( 19.950 -10.583 20.569) 30.546 80.713 ( 4.124 7.806 -8.016) 11.925 80.832 ( 5.893 -2.857 -15.545) 16.868 81.733 ( 3.406 11.064 -20.279) 23.351 81.826 ( 13.360 0.120 -17.276) 21.839 82.026 ( 24.377 10.051 6.978) 27.276 82.232 ( 7.361 -4.123 5.320) 9.975 82.818 ( -7.780 7.274 1.085) 10.706 83.051 ( -14.046 -13.037 -3.521) 19.485 83.421 ( 6.749 5.931 1.618) 9.129 83.545 ( 8.274 -5.785 5.522) 11.507 84.328 ( 11.195 9.208 16.133) 21.689 84.475 ( 12.886 -2.829 19.705) 23.714 87.220 ( -35.759 19.415 -35.152) 53.771 87.705 ( -28.191 -23.163 -33.667) 49.647 88.546 ( 2.734 12.889 17.610) 21.993 88.894 ( -0.075 -18.272 8.885) 20.318 ======================= Grid point 105 (60/78) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -14.649 0.978 -29.288) 32.762 1.537 ( -6.697 -8.206 -34.487) 36.077 1.722 ( 7.785 -2.203 -4.957) 9.489 1.772 ( 6.003 -5.975 -8.103) 11.721 2.149 ( -9.164 5.167 -6.292) 12.258 2.254 ( -2.949 -4.767 -7.937) 9.717 2.502 ( 2.496 4.653 -6.670) 8.507 2.594 ( -0.600 -3.684 -8.295) 9.097 2.810 ( -0.916 2.662 3.143) 4.220 2.870 ( -7.124 -1.919 5.249) 9.055 3.101 ( 0.961 2.950 -11.993) 12.388 3.156 ( 5.724 -1.784 -9.709) 11.411 3.463 ( -1.281 4.512 2.995) 5.565 3.481 ( -2.465 3.021 2.513) 4.639 3.950 ( 6.502 2.756 5.471) 8.933 3.979 ( 3.608 0.441 5.197) 6.342 4.244 ( 1.190 1.113 -1.075) 1.952 4.270 ( 1.625 -0.767 -2.392) 2.992 5.322 ( 3.901 8.593 9.129) 13.130 5.443 ( 2.932 -0.640 8.287) 8.814 5.560 ( -3.940 2.718 0.240) 4.792 5.637 ( -1.252 -0.320 -0.266) 1.319 5.737 ( 7.639 5.886 10.083) 13.953 5.900 ( 5.195 -5.340 3.495) 8.229 6.094 ( -2.265 0.433 4.107) 4.710 6.116 ( -0.744 -0.980 -0.259) 1.257 6.289 ( -4.851 3.598 11.471) 12.964 6.418 ( -3.780 -4.687 13.822) 15.077 6.729 ( -0.105 0.643 -5.562) 5.600 6.814 ( -2.037 -4.537 -3.387) 6.017 7.140 ( 0.388 -1.311 -2.967) 3.267 7.213 ( 4.241 -7.726 -4.431) 9.865 7.553 ( -0.040 1.414 2.225) 2.637 7.576 ( 0.265 -0.703 1.373) 1.566 8.039 ( -2.410 3.812 -2.234) 5.033 8.082 ( -1.056 0.067 -3.439) 3.598 8.558 ( 0.038 3.265 0.837) 3.371 8.631 ( -0.298 -2.636 0.648) 2.731 8.726 ( -2.681 1.376 -1.251) 3.262 8.777 ( 1.602 -2.196 -2.492) 3.687 9.106 ( -3.661 0.943 4.514) 5.888 9.145 ( -2.428 -2.748 3.826) 5.299 9.629 ( 6.504 5.119 -11.586) 14.239 9.770 ( 7.416 -6.227 -18.106) 20.533 9.990 ( 3.246 3.669 4.087) 6.379 10.094 ( 1.352 -6.156 6.592) 9.120 10.634 ( -5.652 6.369 -8.906) 12.322 10.805 ( -9.967 -8.733 -13.957) 19.246 11.924 ( 4.105 7.489 17.671) 19.626 12.068 ( -1.809 -5.011 18.001) 18.773 12.304 ( 12.513 5.667 3.369) 14.143 12.450 ( 3.729 -3.774 13.547) 14.549 12.466 ( -5.914 0.219 -5.339) 7.971 12.562 ( -13.331 -6.579 -0.592) 14.878 12.879 ( -4.385 11.138 -3.567) 12.490 13.152 ( -9.965 -12.748 -10.431) 19.252 13.241 ( 8.590 8.091 -4.453) 12.613 13.399 ( 10.518 -6.055 -10.146) 15.819 13.995 ( 1.453 3.931 -0.106) 4.193 14.033 ( -2.332 0.668 -1.832) 3.039 17.305 ( -0.716 -0.261 -3.620) 3.700 17.314 ( -0.280 -1.015 -4.146) 4.278 17.636 ( -1.264 -0.402 2.969) 3.251 17.670 ( -0.430 -3.216 1.354) 3.516 18.040 ( 1.190 7.604 4.067) 8.705 18.209 ( 0.141 -6.399 6.939) 9.441 18.219 ( 0.196 9.336 -2.234) 9.601 18.402 ( 0.112 -4.449 1.751) 4.783 18.647 ( 1.339 2.293 3.634) 4.501 18.735 ( -1.744 -4.279 6.268) 7.787 18.798 ( -1.157 3.749 -7.236) 8.231 18.920 ( 1.341 -6.097 -5.504) 8.322 19.144 ( 0.784 1.620 0.391) 1.842 19.164 ( 3.561 -0.003 6.040) 7.012 19.231 ( -4.789 3.242 -0.800) 5.839 19.328 ( -4.318 -5.017 -7.384) 9.917 19.578 ( -3.013 5.487 2.791) 6.853 19.687 ( -2.987 -4.125 4.132) 6.559 19.761 ( 1.657 2.779 1.507) 3.569 19.800 ( 2.900 -0.963 1.487) 3.398 19.858 ( 3.962 2.167 -3.862) 5.942 19.926 ( 4.227 -3.761 -2.106) 6.037 20.221 ( -1.120 3.081 3.139) 4.538 20.270 ( -0.259 -1.033 1.219) 1.618 23.184 ( -1.542 2.259 4.969) 5.672 23.250 ( -1.242 -3.756 4.156) 5.738 23.437 ( 1.051 1.023 -5.712) 5.897 23.459 ( -0.068 -0.951 -5.382) 5.466 24.057 ( 1.776 4.808 3.196) 6.041 24.151 ( 1.628 -2.123 2.103) 3.403 24.178 ( -0.469 4.310 -0.800) 4.409 24.291 ( 0.748 -4.347 -3.389) 5.562 24.514 ( 0.159 4.557 4.082) 6.120 24.547 ( 1.683 1.721 2.323) 3.345 24.949 ( -2.721 -1.520 3.473) 4.667 24.967 ( -1.907 -2.987 2.955) 4.614 25.141 ( -2.975 3.527 -0.989) 4.719 25.217 ( 0.837 -3.021 -4.218) 5.255 25.540 ( 4.157 0.031 -3.822) 5.647 25.576 ( 1.909 -4.143 -4.455) 6.376 25.894 ( 1.641 0.357 -2.504) 3.015 25.948 ( 3.128 -4.029 -4.497) 6.800 26.539 ( 0.365 5.495 4.848) 7.337 26.618 ( -5.040 -1.351 3.832) 6.473 26.779 ( -4.324 5.817 0.424) 7.261 26.904 ( -1.131 -5.247 -1.970) 5.718 27.475 ( 2.888 5.270 4.045) 7.244 27.587 ( 3.377 -4.772 -0.360) 5.857 34.244 ( 5.573 0.385 1.297) 5.735 34.256 ( 5.381 -0.784 1.489) 5.638 34.372 ( -9.676 0.568 -3.359) 10.259 34.400 ( -8.929 -2.147 -3.190) 9.722 34.874 ( -4.264 1.029 10.342) 11.234 34.905 ( -6.573 -1.668 10.423) 12.435 35.123 ( 13.946 2.490 7.356) 15.963 35.166 ( 17.343 -1.095 8.415) 19.307 35.509 ( -8.842 4.557 -4.492) 10.914 35.589 ( -2.732 -1.790 -6.132) 6.947 35.663 ( -4.459 2.744 -11.999) 13.092 35.750 ( 3.120 -4.221 -13.257) 14.258 38.136 ( 6.339 2.007 5.550) 8.661 38.183 ( 3.478 -2.056 4.930) 6.374 38.404 ( -3.936 4.657 5.973) 8.535 38.520 ( -5.602 -5.636 5.711) 9.786 38.916 ( -1.200 2.059 -6.556) 6.976 38.962 ( -0.719 -2.053 -7.391) 7.704 39.115 ( -0.875 3.133 -4.536) 5.582 39.184 ( 0.470 -3.160 -6.043) 6.835 39.864 ( 1.669 4.269 3.134) 5.553 39.944 ( -0.060 -2.944 -0.047) 2.945 40.356 ( 0.758 2.485 3.162) 4.093 40.418 ( 0.455 -2.954 0.473) 3.026 76.867 ( 2.548 -1.196 0.098) 2.816 76.896 ( 1.846 -4.046 -0.546) 4.481 77.518 ( -2.030 7.235 -2.559) 7.938 77.690 ( -6.748 -8.674 -7.835) 13.496 78.801 ( -4.724 2.298 11.354) 12.510 78.890 ( -8.121 -5.731 12.573) 16.027 79.733 ( 10.502 5.103 6.594) 13.410 79.900 ( 10.860 -10.371 9.937) 18.007 80.740 ( -0.177 6.807 6.929) 9.715 80.873 ( 2.669 -4.787 -6.557) 8.546 81.586 ( -8.983 15.878 -21.115) 27.904 81.852 ( -2.278 -8.882 -24.807) 26.447 82.247 ( -1.077 5.950 -5.226) 7.992 82.427 ( 0.376 -9.246 -7.983) 12.222 82.854 ( 7.177 5.505 8.490) 12.406 82.893 ( 6.271 1.711 4.184) 7.730 83.568 ( 5.659 7.029 13.519) 16.255 83.703 ( 2.021 -5.485 13.893) 15.073 84.563 ( 6.502 13.447 17.787) 23.227 84.743 ( 5.153 0.587 18.533) 19.245 86.454 ( -25.012 15.990 -25.960) 39.436 86.971 ( -30.421 -28.099 -37.368) 55.780 88.744 ( 10.934 8.488 10.404) 17.316 88.977 ( 6.529 -12.311 -0.043) 13.935 ======================= Grid point 106 (61/78) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -7.432 7.827 -18.951) 21.809 1.309 ( -4.617 -11.624 -21.046) 24.483 1.729 ( -6.756 0.868 -5.660) 8.856 1.841 ( 2.573 -6.682 -6.334) 9.559 2.051 ( 2.307 6.859 -3.465) 8.024 2.216 ( 2.277 -9.609 -3.145) 10.364 2.528 ( 1.142 1.947 -7.654) 7.980 2.564 ( 2.000 -1.175 -7.195) 7.560 2.753 ( -6.743 3.926 5.148) 9.348 2.804 ( -1.889 -0.916 2.900) 3.580 3.084 ( 0.929 8.347 -7.899) 11.530 3.236 ( 4.960 -5.397 -6.630) 9.883 3.469 ( 0.746 2.884 2.973) 4.209 3.479 ( 2.139 2.409 3.221) 4.556 4.017 ( 0.623 1.063 -2.013) 2.360 4.031 ( 0.327 0.259 -0.306) 0.517 4.311 ( 6.383 5.189 -1.549) 8.371 4.412 ( 10.859 -3.686 -1.406) 11.554 5.304 ( -9.515 13.059 7.269) 17.718 5.495 ( -0.736 1.625 0.608) 1.885 5.537 ( 3.512 -2.134 6.161) 7.406 5.599 ( -2.000 -4.409 -0.418) 4.860 5.857 ( 0.864 1.337 5.894) 6.105 5.917 ( -4.055 -3.165 -3.277) 6.099 6.063 ( -1.855 2.023 3.449) 4.408 6.113 ( -0.069 -0.776 2.313) 2.441 6.277 ( -0.299 3.669 8.858) 9.592 6.376 ( -4.906 -3.445 11.526) 12.992 6.749 ( 3.401 0.139 -3.696) 5.025 6.797 ( 2.029 -3.605 -2.197) 4.684 7.152 ( 1.968 2.336 -3.432) 4.594 7.275 ( 3.245 -7.925 -3.396) 9.212 7.571 ( 0.895 2.157 2.044) 3.104 7.618 ( 3.766 -2.942 1.396) 4.978 8.006 ( -0.679 3.512 0.009) 3.577 8.057 ( -0.159 -0.903 -2.031) 2.229 8.543 ( -1.735 4.268 0.430) 4.627 8.618 ( -0.951 -1.309 1.385) 2.129 8.699 ( 0.194 1.187 -0.800) 1.445 8.795 ( 0.022 -6.979 -0.148) 6.981 9.036 ( -4.172 2.376 4.304) 6.447 9.100 ( -3.338 -3.491 4.024) 6.286 9.719 ( 7.309 6.320 -17.033) 19.582 9.831 ( 5.315 -2.588 -20.803) 21.627 10.062 ( 0.091 0.818 6.862) 6.912 10.102 ( -2.433 -3.597 1.275) 4.526 10.569 ( -1.472 -0.604 -1.658) 2.298 10.606 ( -2.005 -3.606 -3.038) 5.124 11.851 ( -12.804 1.833 8.638) 15.554 11.885 ( -19.567 -1.440 2.020) 19.724 12.215 ( -14.954 4.310 8.693) 17.826 12.267 ( -7.645 -0.727 12.424) 14.606 12.609 ( 8.409 4.204 -2.212) 9.658 12.788 ( 14.702 -9.735 -0.778) 17.650 12.896 ( 5.557 1.827 8.629) 10.425 12.976 ( 1.984 -5.784 -2.272) 6.523 13.429 ( 8.632 5.886 -10.607) 14.888 13.510 ( 4.629 -0.874 -14.042) 14.811 14.024 ( 4.049 6.963 -0.744) 8.088 14.139 ( 10.724 -4.144 -0.160) 11.498 17.328 ( 4.020 0.248 -2.098) 4.541 17.348 ( 4.917 -1.440 -2.740) 5.810 17.636 ( 0.126 0.782 3.767) 3.850 17.689 ( 2.028 -3.684 0.867) 4.294 18.076 ( 0.660 7.646 4.314) 8.803 18.162 ( -3.060 8.420 -2.736) 9.367 18.250 ( 0.206 -5.256 6.107) 8.060 18.380 ( -3.142 -6.953 -0.108) 7.631 18.669 ( 1.010 3.124 0.720) 3.362 18.722 ( -3.018 2.573 -5.697) 6.941 18.794 ( 3.726 -2.832 8.658) 9.842 18.897 ( -2.742 -7.734 -2.238) 8.505 19.067 ( -6.809 4.235 -4.813) 9.352 19.147 ( -5.808 -2.169 -5.275) 8.140 19.262 ( 2.801 0.952 3.063) 4.258 19.280 ( 4.726 -0.704 3.138) 5.717 19.485 ( -6.535 5.257 3.673) 9.156 19.591 ( -6.082 -3.871 3.858) 8.177 19.765 ( -2.092 2.340 2.603) 4.077 19.809 ( -1.638 -1.623 -0.390) 2.339 19.986 ( 7.084 0.053 -3.690) 7.988 20.001 ( 3.888 -0.986 -3.016) 5.018 20.188 ( -3.201 3.458 1.868) 5.069 20.247 ( -2.292 -1.682 -0.067) 2.844 23.174 ( -1.165 2.562 4.607) 5.398 23.248 ( -0.472 -4.182 4.181) 5.933 23.454 ( 2.280 0.621 -5.481) 5.968 23.464 ( 2.436 -0.349 -3.555) 4.324 24.096 ( 1.252 5.705 2.442) 6.331 24.131 ( -1.990 6.573 -2.982) 7.487 24.205 ( 1.740 -3.502 2.195) 4.485 24.275 ( -1.203 -5.610 -3.437) 6.688 24.503 ( -2.086 4.737 2.542) 5.766 24.563 ( -0.647 0.129 0.677) 0.945 24.898 ( -6.680 1.974 0.081) 6.966 24.926 ( -1.342 -1.082 2.320) 2.891 25.116 ( 0.730 -0.502 3.888) 3.988 25.175 ( -2.220 -4.964 -1.385) 5.612 25.550 ( -1.033 0.466 -3.309) 3.498 25.599 ( 1.906 -3.344 -6.078) 7.195 25.935 ( 3.237 3.017 -2.869) 5.274 26.045 ( 6.800 -6.104 -6.061) 10.965 26.548 ( -0.877 5.211 2.497) 5.844 26.619 ( 2.039 -1.599 5.534) 6.110 26.720 ( -0.339 8.120 2.658) 8.551 26.893 ( 0.102 -7.387 0.932) 7.446 27.522 ( 0.642 4.913 1.320) 5.127 27.623 ( 0.720 -4.208 -2.426) 4.910 34.085 ( -12.634 2.516 -2.199) 13.069 34.157 ( -11.238 -3.985 -2.250) 12.135 34.364 ( 2.764 0.998 5.002) 5.801 34.390 ( 3.525 -1.169 3.535) 5.127 34.879 ( -1.109 2.288 12.264) 12.525 34.940 ( 2.365 -3.145 13.321) 13.890 35.287 ( -5.320 2.688 -7.905) 9.901 35.348 ( -6.577 -2.702 -7.722) 10.498 35.408 ( 10.653 7.089 -3.441) 13.251 35.554 ( 14.221 -5.942 -5.014) 16.208 35.783 ( 14.693 6.898 -3.844) 16.681 35.919 ( 15.634 -5.432 -3.830) 16.988 38.156 ( -6.078 4.600 -1.286) 7.730 38.249 ( 0.164 -3.424 0.554) 3.473 38.458 ( 2.544 -0.806 8.133) 8.560 38.471 ( 5.366 -1.731 9.485) 11.035 38.883 ( -0.572 2.643 -3.078) 4.097 38.944 ( 0.430 -2.684 -3.524) 4.451 39.086 ( -0.267 4.012 -4.593) 6.104 39.170 ( 0.393 -3.569 -6.185) 7.152 39.840 ( -4.904 2.232 2.441) 5.915 39.869 ( -7.113 -0.283 -1.573) 7.290 40.317 ( -5.710 1.151 2.564) 6.364 40.357 ( -6.519 -2.324 -0.359) 6.930 76.927 ( 2.159 -1.594 -3.661) 4.539 76.945 ( 4.047 -3.420 -2.081) 5.692 77.588 ( 6.545 0.440 2.815) 7.139 77.601 ( 4.024 -0.632 -1.395) 4.306 78.808 ( -0.366 -1.050 15.616) 15.656 78.829 ( -2.186 -3.198 13.976) 14.503 79.807 ( -3.916 9.428 -5.301) 11.503 80.025 ( 0.899 -10.666 -0.984) 10.749 80.702 ( -9.637 9.733 9.370) 16.595 80.889 ( -0.980 -7.507 1.134) 7.655 81.327 ( -7.776 14.226 -9.897) 18.994 81.637 ( -8.296 -12.976 -22.683) 27.418 82.174 ( -5.855 1.834 0.819) 6.190 82.259 ( -10.804 -4.964 -7.000) 13.797 82.926 ( 1.204 8.331 -7.200) 11.077 83.049 ( 2.735 -2.603 -7.131) 8.069 83.655 ( -10.213 2.073 3.488) 10.990 83.687 ( -2.712 -1.096 11.354) 11.725 84.644 ( -10.217 18.228 6.151) 21.783 84.785 ( 0.542 8.130 12.513) 14.932 86.266 ( 5.788 -4.599 10.479) 12.824 86.427 ( -5.781 -17.984 -10.739) 21.730 89.014 ( 13.319 3.933 2.213) 14.063 89.133 ( 10.222 -6.677 -7.739) 14.456 ======================= Grid point 107 (62/78) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 9.771 9.452 14.182) 19.646 1.257 ( 2.105 -3.009 3.072) 4.788 1.596 ( -2.256 2.954 5.183) 6.378 1.815 ( -2.169 -11.464 0.333) 11.672 2.100 ( 1.662 9.044 -1.785) 9.367 2.305 ( 5.988 -8.735 -3.528) 11.163 2.493 ( -1.029 5.045 -10.409) 11.613 2.574 ( -1.537 0.153 -3.333) 3.674 2.647 ( -3.951 4.826 -1.395) 6.392 2.749 ( -3.235 -1.254 0.006) 3.470 3.094 ( 2.507 8.174 -3.327) 9.174 3.288 ( 1.955 -7.955 -2.887) 8.685 3.527 ( 3.231 2.533 2.058) 4.592 3.566 ( 5.017 -0.575 1.813) 5.366 3.976 ( -3.615 0.470 -6.215) 7.205 3.990 ( -2.374 -0.404 -7.495) 7.872 4.468 ( 9.216 9.025 1.474) 12.983 4.622 ( 8.471 -4.186 2.932) 9.894 5.129 ( -7.977 12.042 6.328) 15.770 5.426 ( -6.746 -10.378 2.750) 12.679 5.582 ( 1.118 0.600 2.584) 2.878 5.632 ( 2.472 -2.531 3.925) 5.284 5.771 ( -5.595 2.847 -10.096) 11.888 5.857 ( -1.245 -4.355 -6.686) 8.076 6.037 ( -2.965 4.197 5.300) 7.382 6.117 ( -1.418 -2.749 4.789) 5.701 6.264 ( -3.302 2.823 -0.707) 4.402 6.313 ( -3.187 -1.524 0.954) 3.659 6.814 ( 4.005 2.906 -0.552) 4.979 6.877 ( 4.671 -2.996 1.105) 5.658 7.188 ( 2.697 4.614 -2.608) 5.947 7.319 ( 2.175 -6.121 -0.448) 6.511 7.601 ( 0.992 3.797 2.403) 4.602 7.694 ( 1.979 -5.163 -1.194) 5.657 8.003 ( 0.567 2.521 0.259) 2.597 8.067 ( 1.526 -2.982 0.153) 3.354 8.507 ( -1.378 7.504 0.423) 7.641 8.619 ( 0.333 2.483 0.851) 2.646 8.718 ( 1.838 -5.275 -0.015) 5.586 8.773 ( -2.636 -8.863 4.298) 10.196 9.008 ( 0.372 1.323 3.691) 3.938 9.076 ( 0.276 -3.947 7.765) 8.715 9.783 ( 5.450 6.229 -17.698) 19.538 9.805 ( -1.857 3.790 -13.878) 14.505 9.990 ( -6.701 -4.300 0.772) 7.999 10.018 ( -3.662 -6.964 -11.995) 14.345 10.564 ( 1.718 6.204 3.415) 7.287 10.700 ( 3.188 -6.052 10.320) 12.381 11.479 ( -17.319 5.542 -2.495) 18.355 11.613 ( -9.370 -6.668 0.614) 11.517 12.021 ( -7.709 8.631 9.929) 15.248 12.197 ( -5.770 -6.331 15.033) 17.302 12.703 ( 2.522 1.465 2.400) 3.777 12.783 ( -3.074 -5.979 -1.570) 6.904 13.145 ( 8.210 1.374 1.537) 8.465 13.186 ( 8.126 -2.804 -2.703) 9.011 13.504 ( 6.339 4.922 -8.860) 11.955 13.569 ( 8.935 -0.585 -5.173) 10.341 14.179 ( 10.545 10.193 0.119) 14.667 14.365 ( 11.411 -7.136 -1.647) 13.558 17.431 ( 5.830 1.077 0.362) 5.940 17.473 ( 7.736 -2.573 -0.650) 8.178 17.668 ( 1.821 3.486 3.678) 5.385 17.758 ( 4.745 -3.942 0.724) 6.211 18.022 ( -5.854 8.670 -1.489) 10.567 18.155 ( 2.021 5.211 1.567) 5.804 18.263 ( -3.953 -9.724 -1.187) 10.563 18.300 ( 0.178 -4.609 0.368) 4.627 18.615 ( -5.867 3.618 -2.349) 7.282 18.698 ( -1.231 3.871 -1.010) 4.185 18.786 ( -6.784 -4.410 -2.852) 8.579 18.862 ( -2.046 -4.944 -1.653) 5.601 18.947 ( -2.266 4.654 2.450) 5.727 19.073 ( 2.370 -6.263 4.345) 7.982 19.284 ( -3.836 3.502 4.606) 6.942 19.345 ( -2.342 -1.487 2.884) 4.002 19.435 ( 3.538 5.767 3.282) 7.519 19.537 ( 0.449 -3.437 3.627) 5.017 19.702 ( -4.892 1.891 1.663) 5.502 19.742 ( -4.499 -1.565 -2.402) 5.335 20.031 ( -0.351 2.614 -1.998) 3.309 20.073 ( 2.793 -1.202 -3.845) 4.902 20.118 ( -3.550 2.352 -0.228) 4.264 20.183 ( -3.564 -3.036 -2.394) 5.258 23.175 ( -0.352 3.236 4.451) 5.514 23.264 ( 0.485 -4.888 4.497) 6.660 23.487 ( 2.979 1.992 -4.852) 6.032 23.514 ( 3.462 -0.650 -3.231) 4.780 24.080 ( -1.600 5.904 -3.802) 7.202 24.111 ( -1.251 5.687 1.743) 6.078 24.221 ( -0.653 -3.406 -2.062) 4.035 24.259 ( 1.605 -3.990 -0.520) 4.332 24.471 ( -1.338 3.910 1.059) 4.266 24.539 ( -1.277 -1.143 -1.099) 2.036 24.743 ( -7.664 4.638 -1.198) 9.038 24.869 ( -4.849 -5.673 -2.042) 7.737 25.136 ( 0.502 0.569 3.545) 3.626 25.185 ( 0.995 -3.254 4.257) 5.449 25.521 ( -0.170 1.188 -3.213) 3.430 25.587 ( -0.693 -4.511 -5.370) 7.047 25.990 ( 2.997 5.188 -1.826) 6.263 26.128 ( 2.700 -7.075 -3.024) 8.154 26.557 ( 0.588 7.246 1.072) 7.348 26.644 ( 2.004 -0.194 0.348) 2.043 26.828 ( 7.055 2.362 5.146) 9.046 26.920 ( 2.107 -5.710 3.055) 6.810 27.502 ( -2.717 4.430 -1.131) 5.318 27.595 ( -2.447 -3.793 -4.008) 6.037 33.875 ( -7.892 3.426 0.888) 8.649 33.966 ( -7.216 -4.919 0.489) 8.747 34.391 ( -1.843 2.334 2.167) 3.680 34.439 ( 0.350 -1.972 2.751) 3.403 34.842 ( -6.609 4.472 9.303) 12.256 34.947 ( -6.338 -4.746 10.672) 13.289 35.253 ( 4.042 2.255 -6.901) 8.309 35.315 ( 6.221 -3.447 -6.143) 9.398 35.625 ( 12.930 6.110 -6.551) 15.730 35.730 ( 10.032 -2.680 -12.418) 16.187 36.160 ( 18.969 4.035 2.992) 19.623 36.262 ( 17.319 -4.718 0.212) 17.951 38.033 ( -4.288 5.176 -0.139) 6.723 38.161 ( -5.004 -6.315 -1.876) 8.273 38.618 ( 8.754 2.115 8.701) 12.522 38.671 ( 8.971 -2.734 9.503) 13.352 38.863 ( -0.747 3.028 -1.722) 3.562 38.939 ( -0.396 -3.548 -1.396) 3.834 39.078 ( 1.307 4.262 -3.767) 5.837 39.160 ( 0.945 -3.183 -5.510) 6.433 39.670 ( -11.484 2.548 -2.662) 12.061 39.702 ( -9.314 -0.208 1.155) 9.387 40.156 ( -11.039 -0.137 0.986) 11.084 40.169 ( -11.824 -1.193 -1.289) 11.954 76.965 ( 3.668 0.050 -2.397) 4.382 77.000 ( 3.469 -3.406 -2.344) 5.397 77.756 ( 14.772 6.642 2.200) 16.345 77.900 ( 18.047 -6.746 7.901) 20.823 78.842 ( -1.321 1.114 14.973) 15.073 78.913 ( 0.932 -5.076 16.563) 17.348 79.595 ( -11.756 14.103 -9.589) 20.714 79.930 ( -8.866 -16.028 -4.258) 18.806 80.451 ( -13.474 19.334 -3.522) 23.828 80.761 ( -12.189 -9.912 -6.399) 16.964 81.251 ( -1.680 6.181 5.822) 8.656 81.443 ( -4.607 -9.604 -13.522) 17.213 81.851 ( -21.125 7.892 -13.339) 26.200 82.023 ( -15.736 -8.631 3.673) 18.319 82.927 ( 4.162 7.647 -8.655) 12.276 83.022 ( -0.707 -1.674 -5.673) 5.957 83.356 ( -19.218 3.275 -5.338) 20.213 83.493 ( -14.200 -8.460 -4.936) 17.251 84.407 ( -10.400 16.466 -1.979) 19.575 84.721 ( -8.782 -10.125 -3.620) 13.883 86.587 ( 26.482 6.181 31.735) 41.792 86.800 ( 22.414 -11.006 38.041) 45.505 89.255 ( 10.625 1.121 -3.449) 11.227 89.300 ( 9.837 -2.780 -12.281) 15.979 ======================= Grid point 108 (63/78) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.416 14.422 9.900) 17.498 1.468 ( 15.670 2.071 24.822) 29.427 1.793 ( 13.380 -5.035 21.716) 25.999 1.839 ( 6.017 -7.698 19.046) 21.406 2.084 ( -3.233 18.107 4.305) 18.890 2.357 ( -1.523 3.170 0.276) 3.527 2.421 ( 0.538 2.934 -14.262) 14.571 2.500 ( -3.224 -0.454 -8.081) 8.712 2.575 ( -1.289 -2.632 -3.558) 4.609 2.706 ( -1.195 -5.017 -4.090) 6.582 3.157 ( 4.242 5.057 -1.736) 6.825 3.303 ( 0.419 -6.975 0.764) 7.029 3.558 ( -0.759 4.185 -2.398) 4.882 3.654 ( 2.874 -3.612 -1.236) 4.778 3.857 ( -4.902 2.633 -8.510) 10.168 3.894 ( -3.643 -0.594 -11.412) 11.994 4.624 ( 1.467 7.936 7.622) 11.101 4.727 ( 2.558 3.366 9.107) 10.040 5.092 ( 0.879 1.990 4.843) 5.309 5.329 ( -2.795 -13.469 3.907) 14.301 5.612 ( 0.329 2.784 -0.613) 2.870 5.637 ( -3.819 2.595 -7.400) 8.722 5.667 ( 0.882 1.026 -4.029) 4.250 5.777 ( -3.278 -5.413 -13.028) 14.483 5.984 ( -2.487 2.186 2.135) 3.940 6.054 ( -6.922 -3.790 2.943) 8.422 6.194 ( -1.680 3.326 -4.526) 5.862 6.265 ( -0.773 -2.651 -5.498) 6.152 6.885 ( 2.851 4.921 0.987) 5.772 6.955 ( 2.763 -1.451 1.672) 3.540 7.229 ( 1.955 5.660 -1.959) 6.300 7.350 ( 0.195 -4.770 0.269) 4.781 7.598 ( -2.516 3.631 0.615) 4.460 7.659 ( -2.677 -1.614 -3.512) 4.702 8.042 ( 2.701 -1.307 0.776) 3.099 8.104 ( 1.108 -6.375 2.335) 6.879 8.524 ( 2.764 9.395 2.840) 10.197 8.614 ( -1.023 4.092 1.979) 4.659 8.712 ( -3.217 -4.776 2.220) 6.172 8.793 ( 3.765 -13.340 2.879) 14.157 9.085 ( 5.728 1.540 4.540) 7.470 9.186 ( 6.462 -6.808 8.172) 12.446 9.655 ( -7.699 8.379 -4.266) 12.153 9.838 ( -7.102 -7.530 -0.193) 10.353 9.854 ( 6.742 4.313 -13.405) 15.612 9.958 ( 2.793 -5.494 -15.066) 16.278 10.514 ( -7.618 5.998 -2.130) 9.927 10.619 ( -13.834 -3.595 0.336) 14.297 11.370 ( 5.596 9.334 6.598) 12.727 11.584 ( 4.687 -9.769 4.143) 11.600 11.950 ( -3.193 8.436 6.630) 11.194 12.142 ( -4.157 -8.100 8.717) 12.605 12.724 ( -3.890 -0.268 4.332) 5.829 12.738 ( -1.128 -0.754 5.269) 5.441 13.150 ( -2.651 1.749 -8.758) 9.316 13.197 ( -0.553 -2.640 -10.001) 10.359 13.691 ( 10.866 7.380 1.927) 13.276 13.823 ( 13.713 -4.660 0.851) 14.508 14.387 ( 9.289 8.600 1.378) 12.733 14.549 ( 7.300 -6.236 -1.627) 9.738 17.512 ( 1.218 3.991 1.744) 4.522 17.603 ( 4.268 -3.436 1.053) 5.579 17.738 ( 3.310 3.813 2.069) 5.456 17.860 ( 2.615 -6.219 3.745) 7.716 17.937 ( 1.472 7.421 -4.683) 8.897 18.127 ( -3.227 -9.276 -5.660) 11.335 18.218 ( 0.520 6.481 -2.335) 6.908 18.343 ( 2.041 -1.248 2.152) 3.218 18.496 ( -6.972 -3.185 -3.744) 8.530 18.544 ( -7.092 -2.766 0.220) 7.615 18.679 ( -3.827 1.563 -2.803) 4.995 18.765 ( -4.200 -5.076 -2.043) 6.898 19.020 ( 5.255 8.393 4.816) 11.011 19.149 ( -1.229 -0.472 4.434) 4.625 19.254 ( 1.476 -1.583 7.158) 7.478 19.292 ( -2.574 -3.189 7.196) 8.281 19.539 ( 4.670 3.514 -0.966) 5.923 19.591 ( 1.978 -0.923 3.029) 3.733 19.601 ( -5.488 1.047 3.516) 6.602 19.626 ( -5.559 -0.219 -2.186) 5.977 19.971 ( -3.761 5.894 -2.997) 7.607 20.052 ( -1.816 1.092 -6.442) 6.782 20.085 ( -1.281 -1.084 -2.568) 3.068 20.109 ( -1.906 -5.807 0.240) 6.116 23.194 ( 0.459 4.018 5.092) 6.502 23.296 ( 0.800 -5.288 5.475) 7.654 23.530 ( 3.204 3.135 -6.691) 8.054 23.569 ( 3.338 -0.761 -3.718) 5.054 24.045 ( -0.712 3.691 -4.465) 5.837 24.057 ( -3.992 3.941 0.622) 5.644 24.212 ( -0.049 1.236 -1.190) 1.717 24.285 ( 0.689 -2.923 -0.040) 3.004 24.472 ( 1.376 1.859 -0.106) 2.315 24.518 ( -0.284 -1.835 -0.861) 2.046 24.614 ( -4.107 4.365 -3.360) 6.871 24.743 ( -6.121 -6.708 -4.215) 10.011 25.166 ( 1.366 1.663 2.467) 3.274 25.205 ( -0.123 -1.442 2.914) 3.254 25.505 ( -1.591 -0.395 -1.401) 2.156 25.541 ( -2.626 -3.432 -3.127) 5.334 26.040 ( 2.820 3.727 -0.546) 4.705 26.123 ( -2.084 -3.521 0.237) 4.098 26.592 ( 2.619 6.299 1.284) 6.941 26.707 ( 3.914 -3.837 -2.616) 6.074 26.978 ( 5.918 0.586 4.381) 7.386 26.999 ( 4.708 -1.618 2.724) 5.675 27.410 ( -5.711 4.412 -2.329) 7.583 27.501 ( -5.336 -3.669 -4.438) 7.851 33.793 ( -1.324 3.601 4.275) 5.744 33.886 ( -1.571 -4.935 3.321) 6.153 34.319 ( -4.777 3.616 -3.297) 6.838 34.394 ( -4.876 -3.264 -4.777) 7.566 34.761 ( -4.002 4.712 11.587) 13.133 34.868 ( -4.785 -4.825 11.017) 12.944 35.316 ( 4.274 3.733 -8.224) 9.991 35.417 ( 5.197 -5.449 -8.488) 11.347 35.875 ( 13.373 3.977 -1.959) 14.089 35.920 ( 12.090 0.306 -4.063) 12.758 36.420 ( 5.346 2.827 -2.642) 6.600 36.500 ( 5.266 -4.098 -3.642) 7.602 38.048 ( 5.585 3.114 5.876) 8.684 38.134 ( 3.390 -4.588 3.919) 6.921 38.795 ( 2.686 2.977 0.368) 4.027 38.820 ( 1.720 1.360 3.999) 4.561 38.853 ( 2.269 -1.871 3.289) 4.412 38.898 ( -3.282 -3.865 -2.460) 5.636 39.127 ( 4.764 2.952 -0.004) 5.604 39.179 ( 2.754 -1.704 -3.491) 4.762 39.460 ( -6.105 3.721 -2.196) 7.479 39.521 ( -7.372 -1.645 -0.374) 7.562 39.898 ( -14.112 0.303 -1.789) 14.228 39.913 ( -13.245 -0.868 -1.436) 13.351 77.084 ( 9.069 1.777 3.506) 9.884 77.138 ( 10.904 -3.107 4.861) 12.336 78.108 ( 15.831 5.943 2.913) 17.158 78.252 ( 9.890 -7.044 2.065) 12.317 78.781 ( -8.319 0.117 2.459) 8.675 78.815 ( -12.350 -2.103 -0.377) 12.534 79.395 ( -8.868 14.629 2.064) 17.231 79.759 ( -9.971 -17.533 -2.448) 20.318 80.253 ( -2.424 13.478 -1.816) 13.814 80.444 ( -10.080 -4.611 3.690) 11.683 81.226 ( -1.417 3.673 0.627) 3.986 81.314 ( -5.085 -3.222 -7.743) 9.808 81.497 ( -5.419 8.232 -18.992) 21.397 81.728 ( -10.138 -12.322 2.588) 16.165 82.784 ( -23.015 5.085 -5.039) 24.103 82.888 ( -16.786 -3.927 -3.125) 17.520 83.146 ( 9.522 9.018 0.307) 13.118 83.361 ( 5.706 -9.734 -2.576) 11.573 84.225 ( -7.328 13.592 -7.366) 17.109 84.519 ( -8.476 -12.743 -10.696) 18.672 87.338 ( 23.088 0.008 45.568) 51.083 87.392 ( 28.119 -5.098 43.576) 52.111 89.379 ( 3.649 0.552 -8.313) 9.095 89.406 ( 4.718 -1.651 -13.048) 13.973 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -2.597 0.000 -11.607) 11.894 1.157 ( 2.597 0.000 11.607) 11.894 1.764 ( 7.936 0.000 -21.899) 23.292 1.764 ( -7.936 0.000 21.899) 23.292 2.213 ( -8.860 0.000 -4.620) 9.992 2.213 ( 8.860 0.000 4.620) 9.992 2.637 ( 3.917 0.000 -12.789) 13.376 2.637 ( -3.917 0.000 12.789) 13.376 3.051 ( -9.873 0.000 -27.589) 29.302 3.051 ( 9.873 0.000 27.589) 29.302 3.147 ( -10.639 0.000 -8.852) 13.840 3.147 ( 10.639 0.000 8.852) 13.840 3.335 ( 2.145 0.000 -3.563) 4.158 3.335 ( -2.145 0.000 3.563) 4.158 3.639 ( -2.032 0.000 -3.991) 4.479 3.639 ( 2.032 0.000 3.991) 4.479 4.570 ( 2.069 0.000 -9.525) 9.747 4.570 ( -2.069 0.000 9.525) 9.747 5.309 ( -18.586 0.000 1.565) 18.652 5.309 ( 18.586 0.000 -1.565) 18.652 5.556 ( -4.543 0.000 -7.494) 8.763 5.556 ( 4.543 0.000 7.494) 8.763 5.711 ( -3.439 0.000 -0.685) 3.506 5.711 ( 3.439 0.000 0.685) 3.506 6.029 ( 13.622 0.000 -5.720) 14.774 6.029 ( -13.622 0.000 5.720) 14.774 6.219 ( 0.661 0.000 -5.796) 5.834 6.219 ( -0.661 0.000 5.796) 5.834 6.749 ( -0.452 0.000 -4.404) 4.427 6.749 ( 0.452 0.000 4.404) 4.427 7.214 ( -4.401 0.000 -4.558) 6.336 7.214 ( 4.401 0.000 4.558) 6.336 7.575 ( -0.575 0.000 -3.877) 3.919 7.575 ( 0.575 0.000 3.877) 3.919 8.319 ( -0.085 0.000 -1.665) 1.667 8.319 ( 0.085 0.000 1.665) 1.667 8.646 ( -6.827 0.000 -1.705) 7.037 8.646 ( 6.827 0.000 1.705) 7.037 8.863 ( 6.382 0.000 -11.262) 12.945 8.863 ( -6.382 0.000 11.262) 12.945 9.519 ( -16.647 0.000 -5.866) 17.651 9.519 ( 16.647 0.000 5.866) 17.651 9.660 ( -1.487 0.000 -2.078) 2.555 9.660 ( 1.487 0.000 2.078) 2.555 9.879 ( -1.489 0.000 -8.026) 8.163 9.879 ( 1.489 0.000 8.026) 8.163 10.129 ( -7.047 0.000 0.227) 7.050 10.129 ( 7.047 0.000 -0.227) 7.050 11.594 ( -6.534 0.000 -7.449) 9.909 11.594 ( 6.534 0.000 7.449) 9.909 12.164 ( -2.608 0.000 -10.477) 10.797 12.164 ( 2.608 0.000 10.477) 10.797 12.819 ( 9.609 0.000 -13.727) 16.756 12.819 ( -9.609 0.000 13.727) 16.756 12.991 ( 5.977 0.000 -15.737) 16.834 12.991 ( -5.977 0.000 15.737) 16.834 13.889 ( 2.724 0.000 -17.338) 17.551 13.889 ( -2.724 0.000 17.338) 17.551 14.537 ( -5.287 0.000 -9.466) 10.843 14.537 ( 5.287 0.000 9.466) 10.843 17.485 ( -0.062 0.000 -4.087) 4.087 17.485 ( 0.062 0.000 4.087) 4.087 17.879 ( -5.197 0.000 -0.479) 5.219 17.879 ( 5.197 0.000 0.479) 5.219 18.080 ( -2.652 0.000 -3.793) 4.628 18.080 ( 2.652 0.000 3.793) 4.628 18.278 ( -16.503 0.000 -5.136) 17.284 18.278 ( 16.503 0.000 5.136) 17.284 18.629 ( 1.689 0.000 -2.427) 2.957 18.629 ( -1.689 0.000 2.427) 2.957 18.699 ( 1.930 0.000 -1.807) 2.644 18.699 ( -1.930 0.000 1.807) 2.644 19.131 ( 7.958 0.000 -5.557) 9.706 19.131 ( -7.958 0.000 5.557) 9.706 19.206 ( -6.785 0.000 0.359) 6.795 19.206 ( 6.785 0.000 -0.359) 6.795 19.505 ( -6.375 0.000 1.644) 6.583 19.505 ( 6.375 0.000 -1.644) 6.583 19.727 ( -0.306 0.000 -5.076) 5.085 19.727 ( 0.306 0.000 5.076) 5.085 19.821 ( -3.586 0.000 -0.537) 3.626 19.821 ( 3.586 0.000 0.537) 3.626 20.112 ( -3.944 0.000 -5.213) 6.537 20.112 ( 3.944 0.000 5.213) 6.537 23.188 ( -0.150 0.000 -3.837) 3.840 23.188 ( 0.150 0.000 3.837) 3.840 23.655 ( -2.434 0.000 0.335) 2.457 23.655 ( 2.434 0.000 -0.335) 2.457 23.815 ( 2.325 0.000 -5.533) 6.002 23.815 ( -2.325 0.000 5.533) 6.002 24.187 ( 0.830 0.000 -1.028) 1.321 24.187 ( -0.830 0.000 1.028) 1.321 24.479 ( -4.574 0.000 1.471) 4.805 24.479 ( 4.574 0.000 -1.471) 4.805 24.700 ( -8.052 0.000 -2.608) 8.464 24.700 ( 8.052 0.000 2.608) 8.464 25.197 ( 3.872 0.000 -1.364) 4.105 25.197 ( -3.872 0.000 1.364) 4.105 25.559 ( -0.707 0.000 -0.761) 1.039 25.559 ( 0.707 0.000 0.761) 1.039 26.055 ( -7.759 0.000 0.998) 7.823 26.055 ( 7.759 0.000 -0.998) 7.823 26.669 ( -0.529 0.000 -8.888) 8.904 26.669 ( 0.529 0.000 8.888) 8.904 27.097 ( 6.921 0.000 -3.884) 7.936 27.097 ( -6.921 0.000 3.884) 7.936 27.302 ( -3.273 0.000 -7.113) 7.829 27.302 ( 3.273 0.000 7.113) 7.829 33.972 ( -6.836 0.000 -8.657) 11.031 33.972 ( 6.836 0.000 8.657) 11.031 34.138 ( -2.237 0.000 -4.305) 4.851 34.138 ( 2.237 0.000 4.305) 4.851 35.014 ( 1.460 0.000 -14.804) 14.876 35.014 ( -1.460 0.000 14.804) 14.876 35.244 ( 3.536 0.000 -17.202) 17.562 35.244 ( -3.536 0.000 17.202) 17.562 36.128 ( -8.133 0.000 -10.055) 12.932 36.128 ( 8.133 0.000 10.055) 12.932 36.283 ( -10.504 0.000 -11.850) 15.835 36.283 ( 10.504 0.000 11.850) 15.835 38.411 ( -9.960 0.000 -8.714) 13.235 38.411 ( 9.960 0.000 8.714) 13.235 38.570 ( -16.122 0.000 -5.986) 17.198 38.570 ( 16.122 0.000 5.986) 17.198 38.998 ( 2.050 0.000 -5.917) 6.262 38.998 ( -2.050 0.000 5.917) 6.262 39.230 ( -2.776 0.000 -1.283) 3.058 39.230 ( 2.776 0.000 1.283) 3.058 39.480 ( -1.675 0.000 -4.802) 5.086 39.480 ( 1.675 0.000 4.802) 5.086 39.590 ( -13.317 0.000 1.291) 13.380 39.590 ( 13.317 0.000 -1.291) 13.380 77.566 ( -24.372 0.000 -13.045) 27.643 77.566 ( 24.372 0.000 13.045) 27.643 77.922 ( -25.739 0.000 -10.196) 27.685 77.922 ( 25.739 0.000 10.196) 27.685 78.996 ( -35.923 0.000 -8.765) 36.977 78.996 ( 35.923 0.000 8.765) 36.977 79.504 ( -17.877 0.000 1.590) 17.948 79.504 ( 17.877 0.000 -1.590) 17.948 80.323 ( 11.163 0.000 -36.247) 37.928 80.323 ( -11.163 0.000 36.247) 37.928 80.713 ( -11.443 0.000 -10.232) 15.350 80.713 ( 11.443 0.000 10.232) 15.350 81.740 ( -21.246 0.000 -14.930) 25.967 81.740 ( 21.246 0.000 14.930) 25.967 82.535 ( -8.359 0.000 -20.287) 21.942 82.535 ( 8.359 0.000 20.287) 21.942 83.443 ( -10.451 0.000 -13.560) 17.120 83.443 ( 10.451 0.000 13.560) 17.120 84.130 ( -12.335 0.000 -22.662) 25.801 84.130 ( 12.335 0.000 22.662) 25.801 88.485 ( 5.626 0.000 -35.283) 35.729 88.485 ( -5.626 0.000 35.283) 35.729 89.338 ( -24.724 0.000 5.810) 25.397 89.338 ( 24.724 0.000 -5.810) 25.397 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 11.499 0.000 -14.666) 18.637 1.363 ( 13.004 0.000 10.608) 16.782 1.742 ( -3.558 0.000 25.269) 25.518 1.843 ( 2.127 0.000 -18.714) 18.834 2.094 ( 4.150 0.000 -9.372) 10.249 2.359 ( 3.008 0.000 -6.460) 7.126 2.501 ( -15.708 0.000 -7.545) 17.427 2.571 ( -5.999 0.000 -21.886) 22.694 2.670 ( -7.000 0.000 -18.144) 19.447 2.836 ( -3.387 0.000 -3.822) 5.106 3.228 ( -6.321 0.000 4.413) 7.709 3.348 ( -0.731 0.000 -0.033) 0.732 3.440 ( 8.978 0.000 21.037) 22.872 3.558 ( 15.816 0.000 13.442) 20.756 3.560 ( -2.708 0.000 -0.125) 2.711 3.637 ( -3.538 0.000 2.750) 4.481 4.549 ( -6.277 0.000 -3.505) 7.189 4.627 ( 6.149 0.000 -7.717) 9.868 5.026 ( -8.159 0.000 18.819) 20.511 5.379 ( -10.415 0.000 -3.094) 10.865 5.631 ( 7.256 0.000 -4.424) 8.498 5.639 ( -1.064 0.000 6.171) 6.262 5.684 ( 2.739 0.000 2.162) 3.489 5.765 ( 3.417 0.000 -1.032) 3.569 5.869 ( -0.145 0.000 12.048) 12.049 6.138 ( -1.738 0.000 -3.738) 4.122 6.218 ( -1.146 0.000 2.658) 2.895 6.300 ( 9.565 0.000 -3.907) 10.332 6.752 ( 1.689 0.000 -2.382) 2.920 6.812 ( 4.459 0.000 3.033) 5.392 7.159 ( 0.102 0.000 -3.464) 3.465 7.369 ( 9.043 0.000 6.744) 11.281 7.545 ( -1.235 0.000 -3.388) 3.606 7.590 ( -0.589 0.000 2.841) 2.901 8.246 ( -7.214 0.000 -3.573) 8.050 8.273 ( -4.703 0.000 -0.872) 4.783 8.476 ( -6.976 0.000 -3.297) 7.715 8.585 ( -6.298 0.000 -4.331) 7.643 8.955 ( 6.493 0.000 15.210) 16.538 8.955 ( 5.042 0.000 -8.322) 9.730 9.247 ( -9.326 0.000 -1.759) 9.491 9.480 ( -10.327 0.000 -3.588) 10.933 9.562 ( -8.430 0.000 3.386) 9.084 9.709 ( -4.699 0.000 -13.826) 14.603 9.943 ( 1.760 0.000 8.398) 8.581 10.007 ( 19.407 0.000 4.596) 19.944 10.171 ( 6.791 0.000 1.494) 6.954 10.462 ( 22.636 0.000 7.600) 23.877 11.401 ( -9.467 0.000 -12.720) 15.857 11.730 ( 6.361 0.000 0.010) 6.361 12.075 ( -3.621 0.000 -9.067) 9.764 12.297 ( 7.811 0.000 9.408) 12.228 12.732 ( -3.563 0.000 15.557) 15.960 12.929 ( 4.112 0.000 -15.142) 15.690 12.930 ( -6.114 0.000 19.240) 20.188 13.066 ( 7.889 0.000 -9.149) 12.081 13.770 ( -7.174 0.000 -20.168) 21.406 13.775 ( -13.668 0.000 11.183) 17.660 14.308 ( -13.498 0.000 -11.140) 17.501 14.571 ( -4.633 0.000 7.366) 8.701 17.504 ( 3.345 0.000 -4.271) 5.425 17.514 ( 0.620 0.000 4.112) 4.159 17.753 ( -6.487 0.000 -2.191) 6.847 17.840 ( -12.892 0.000 -0.609) 12.907 18.019 ( -2.609 0.000 -0.514) 2.659 18.038 ( 0.545 0.000 -1.240) 1.355 18.195 ( 5.881 0.000 2.755) 6.494 18.542 ( 4.118 0.000 -0.562) 4.156 18.555 ( -4.513 0.000 -0.298) 4.523 18.606 ( -1.062 0.000 3.194) 3.366 18.747 ( 6.957 0.000 -0.154) 6.958 18.782 ( 5.566 0.000 0.510) 5.589 19.060 ( 0.669 0.000 4.097) 4.152 19.103 ( -4.115 0.000 -3.304) 5.277 19.268 ( 7.231 0.000 -9.149) 11.661 19.377 ( 9.616 0.000 -0.954) 9.664 19.426 ( -2.655 0.000 8.859) 9.248 19.614 ( 3.032 0.000 -2.124) 3.702 19.702 ( -6.473 0.000 -1.483) 6.641 19.717 ( 1.241 0.000 -5.070) 5.220 19.743 ( -0.123 0.000 4.068) 4.070 19.884 ( 3.059 0.000 1.453) 3.387 20.057 ( -0.017 0.000 -1.641) 1.641 20.211 ( 3.308 0.000 5.165) 6.133 23.183 ( 1.016 0.000 -3.657) 3.795 23.217 ( 1.235 0.000 4.430) 4.599 23.589 ( -3.510 0.000 -1.180) 3.703 23.650 ( -2.498 0.000 -1.196) 2.770 23.832 ( 2.047 0.000 2.803) 3.471 23.855 ( 3.280 0.000 -6.169) 6.986 24.188 ( 0.366 0.000 5.747) 5.759 24.205 ( 0.942 0.000 2.963) 3.109 24.403 ( -3.326 0.000 0.341) 3.343 24.506 ( -3.623 0.000 1.137) 3.797 24.641 ( 5.726 0.000 -6.159) 8.410 24.876 ( 7.393 0.000 1.910) 7.636 25.167 ( 1.045 0.000 0.250) 1.074 25.283 ( 4.973 0.000 -2.884) 5.748 25.524 ( -3.174 0.000 3.860) 4.997 25.559 ( -1.787 0.000 6.530) 6.770 25.951 ( -2.073 0.000 -1.741) 2.707 26.222 ( 8.917 0.000 -2.519) 9.266 26.573 ( -4.717 0.000 -9.210) 10.348 26.612 ( -9.259 0.000 5.955) 11.009 27.010 ( -2.667 0.000 4.727) 5.428 27.110 ( -4.558 0.000 -7.851) 9.078 27.322 ( 7.118 0.000 -1.511) 7.277 27.400 ( 2.916 0.000 10.205) 10.613 33.852 ( -1.577 0.000 -7.964) 8.119 34.119 ( 1.073 0.000 -2.233) 2.477 34.133 ( 6.776 0.000 2.843) 7.348 34.275 ( 9.187 0.000 10.326) 13.821 34.971 ( 0.146 0.000 -16.496) 16.497 35.020 ( -2.713 0.000 12.440) 12.733 35.246 ( -3.122 0.000 19.526) 19.774 35.259 ( 3.420 0.000 -13.864) 14.280 35.843 ( -16.443 0.000 -9.016) 18.753 35.976 ( -15.392 0.000 -10.996) 18.916 36.216 ( -2.986 0.000 8.873) 9.362 36.424 ( -1.312 0.000 9.817) 9.904 38.147 ( -11.938 0.000 -7.232) 13.958 38.297 ( -8.687 0.000 -1.763) 8.864 38.555 ( 1.467 0.000 8.909) 9.029 38.876 ( 6.161 0.000 7.174) 9.457 39.011 ( 3.449 0.000 -1.438) 3.737 39.031 ( 3.474 0.000 -7.605) 8.361 39.124 ( -1.607 0.000 0.191) 1.618 39.161 ( -5.127 0.000 -4.166) 6.606 39.305 ( -9.492 0.000 -2.743) 9.880 39.587 ( 10.516 0.000 -3.677) 11.141 39.753 ( 15.105 0.000 9.427) 17.805 39.904 ( 16.291 0.000 0.832) 16.313 77.149 ( -13.372 0.000 -6.683) 14.949 77.417 ( -20.015 0.000 -9.030) 21.958 78.061 ( 1.180 0.000 5.286) 5.416 78.226 ( -1.055 0.000 3.085) 3.261 78.587 ( 17.197 0.000 13.159) 21.654 79.186 ( -13.304 0.000 -11.932) 17.871 79.488 ( 13.735 0.000 -17.538) 22.276 79.959 ( 13.761 0.000 -3.841) 14.287 80.263 ( -7.270 0.000 47.430) 47.984 80.376 ( 12.214 0.000 -14.633) 19.060 80.603 ( 12.201 0.000 -9.655) 15.559 80.877 ( 0.093 0.000 10.273) 10.274 81.438 ( -3.047 0.000 -9.551) 10.025 82.099 ( 6.486 0.000 -3.605) 7.421 82.618 ( 21.519 0.000 2.040) 21.615 82.869 ( 15.564 0.000 10.381) 18.709 83.216 ( -4.753 0.000 -11.822) 12.741 83.696 ( 10.733 0.000 10.664) 15.130 83.800 ( -12.357 0.000 -18.694) 22.409 84.431 ( 9.577 0.000 23.261) 25.155 88.175 ( -39.491 0.000 -7.216) 40.145 88.344 ( -5.021 0.000 -41.822) 42.123 88.867 ( -17.291 0.000 25.073) 30.457 89.575 ( 2.833 0.000 -9.976) 10.370 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 13.400 0.000 -12.228) 18.140 1.634 ( -5.826 0.000 -15.249) 16.324 1.704 ( 9.805 0.000 -6.151) 11.575 1.795 ( 2.066 0.000 18.712) 18.826 2.087 ( -8.239 0.000 -5.019) 9.648 2.122 ( -14.690 0.000 -23.898) 28.052 2.387 ( 16.468 0.000 -15.041) 22.304 2.513 ( 3.425 0.000 -10.894) 11.420 2.577 ( -1.945 0.000 1.198) 2.284 2.864 ( 2.633 0.000 1.942) 3.272 3.069 ( -11.702 0.000 6.541) 13.405 3.288 ( -4.740 0.000 -1.090) 4.864 3.414 ( -6.773 0.000 1.454) 6.928 3.529 ( -7.344 0.000 0.578) 7.366 3.729 ( 7.859 0.000 14.398) 16.403 3.860 ( 9.895 0.000 8.860) 13.282 4.294 ( -11.883 0.000 -7.458) 14.030 4.684 ( -1.699 0.000 -3.280) 3.694 5.138 ( 6.647 0.000 23.255) 24.186 5.142 ( -8.330 0.000 -1.330) 8.436 5.589 ( -2.259 0.000 -4.266) 4.827 5.607 ( -3.944 0.000 6.423) 7.537 5.766 ( 3.333 0.000 3.140) 4.579 5.963 ( 5.029 0.000 4.939) 7.048 5.978 ( 10.320 0.000 -1.497) 10.428 6.075 ( -2.106 0.000 -1.788) 2.763 6.202 ( -0.582 0.000 1.476) 1.586 6.436 ( 4.176 0.000 1.388) 4.401 6.787 ( 2.240 0.000 -0.314) 2.262 6.916 ( 4.627 0.000 -1.663) 4.917 7.188 ( 4.359 0.000 -4.149) 6.018 7.499 ( -2.094 0.000 -2.872) 3.554 7.557 ( -0.125 0.000 -2.310) 2.314 7.592 ( 6.315 0.000 10.240) 12.031 8.042 ( -9.349 0.000 -3.082) 9.844 8.135 ( -9.077 0.000 -0.135) 9.078 8.377 ( -1.618 0.000 -1.806) 2.425 8.540 ( 2.014 0.000 -1.003) 2.250 8.976 ( -9.454 0.000 0.946) 9.502 8.978 ( -2.121 0.000 -1.968) 2.894 9.199 ( 3.574 0.000 9.509) 10.159 9.289 ( -4.141 0.000 -11.339) 12.071 9.463 ( -3.871 0.000 10.274) 10.979 9.556 ( -2.932 0.000 -17.924) 18.163 10.007 ( 1.414 0.000 10.176) 10.273 10.314 ( 8.505 0.000 -4.134) 9.457 10.323 ( 7.934 0.000 1.608) 8.096 11.003 ( 26.492 0.000 14.727) 30.310 11.163 ( -7.868 0.000 -14.611) 16.595 11.864 ( 8.567 0.000 -5.539) 10.202 11.988 ( -0.644 0.000 -4.256) 4.305 12.525 ( 12.112 0.000 2.059) 12.285 12.790 ( 2.568 0.000 17.248) 17.438 12.862 ( -4.933 0.000 -13.990) 14.835 12.897 ( -5.178 0.000 22.788) 23.368 13.222 ( 8.898 0.000 -5.082) 10.247 13.480 ( -17.716 0.000 5.652) 18.596 13.505 ( -10.483 0.000 -19.252) 21.921 13.957 ( -16.823 0.000 -12.721) 21.091 14.430 ( -11.525 0.000 5.971) 12.980 17.480 ( -7.221 0.000 -4.461) 8.488 17.490 ( -5.831 0.000 3.518) 6.810 17.660 ( 0.029 0.000 -3.796) 3.796 17.686 ( 2.124 0.000 -1.592) 2.654 17.971 ( -2.678 0.000 2.293) 3.525 18.039 ( -2.212 0.000 -0.099) 2.215 18.352 ( 8.010 0.000 3.671) 8.811 18.490 ( -3.949 0.000 -3.436) 5.234 18.496 ( -0.855 0.000 0.808) 1.177 18.621 ( 0.719 0.000 4.710) 4.765 18.904 ( 6.397 0.000 1.208) 6.510 18.931 ( 8.464 0.000 4.905) 9.782 19.001 ( -4.190 0.000 -5.139) 6.631 19.168 ( 7.055 0.000 0.645) 7.085 19.345 ( 4.292 0.000 -10.657) 11.488 19.439 ( -0.991 0.000 11.744) 11.786 19.496 ( -8.780 0.000 -7.606) 11.616 19.517 ( 2.345 0.000 -6.961) 7.345 19.607 ( 0.726 0.000 -1.635) 1.789 19.766 ( 0.738 0.000 5.321) 5.372 19.832 ( 6.729 0.000 4.554) 8.126 19.954 ( 3.265 0.000 1.486) 3.587 20.083 ( 2.444 0.000 -0.310) 2.463 20.260 ( 0.109 0.000 2.595) 2.598 23.199 ( 2.000 0.000 -4.155) 4.611 23.259 ( 0.874 0.000 5.487) 5.556 23.516 ( -3.300 0.000 -1.446) 3.603 23.577 ( -3.908 0.000 -1.509) 4.189 23.881 ( 1.954 0.000 1.034) 2.211 23.893 ( 2.576 0.000 -4.986) 5.612 24.258 ( 4.097 0.000 6.720) 7.870 24.258 ( 3.076 0.000 4.713) 5.628 24.350 ( -1.969 0.000 -0.364) 2.002 24.439 ( -3.011 0.000 1.698) 3.457 24.770 ( 8.576 0.000 -7.707) 11.531 24.966 ( 1.978 0.000 -0.406) 2.019 25.224 ( 2.318 0.000 2.000) 3.062 25.347 ( 1.894 0.000 -4.525) 4.906 25.478 ( -1.977 0.000 4.894) 5.278 25.558 ( 0.096 0.000 7.139) 7.140 25.978 ( 5.307 0.000 -0.186) 5.310 26.292 ( -4.179 0.000 -2.395) 4.817 26.391 ( -13.412 0.000 2.621) 13.665 26.509 ( 4.473 0.000 -7.752) 8.950 26.955 ( -7.431 0.000 -7.941) 10.876 26.992 ( -2.239 0.000 6.329) 6.713 27.458 ( 6.438 0.000 -2.593) 6.940 27.484 ( 1.614 0.000 11.644) 11.755 33.866 ( 5.356 0.000 -4.722) 7.140 34.158 ( 3.437 0.000 -0.596) 3.489 34.289 ( 8.767 0.000 0.712) 8.796 34.497 ( 7.452 0.000 5.847) 9.472 34.929 ( 2.405 0.000 -11.757) 12.000 35.010 ( -2.242 0.000 11.108) 11.332 35.256 ( -3.243 0.000 19.828) 20.092 35.267 ( 0.887 0.000 -8.141) 8.189 35.466 ( -17.052 0.000 -7.517) 18.636 35.641 ( -12.937 0.000 -11.946) 17.609 36.059 ( -15.382 0.000 4.323) 15.978 36.294 ( -13.572 0.000 4.630) 14.340 37.970 ( -2.806 0.000 -3.000) 4.108 38.240 ( 1.762 0.000 4.881) 5.189 38.542 ( -5.464 0.000 5.169) 7.522 38.854 ( -3.130 0.000 0.036) 3.130 38.964 ( -6.390 0.000 -6.583) 9.174 39.047 ( -2.192 0.000 -7.877) 8.176 39.079 ( 1.494 0.000 -5.095) 5.309 39.101 ( -2.592 0.000 2.435) 3.557 39.419 ( 14.625 0.000 6.827) 16.140 39.771 ( 8.821 0.000 -4.843) 10.063 40.084 ( 14.025 0.000 7.891) 16.092 40.199 ( 12.850 0.000 -0.117) 12.850 76.983 ( -4.288 0.000 -1.169) 4.444 77.138 ( -4.371 0.000 -0.560) 4.407 77.615 ( -21.889 0.000 -8.390) 23.442 78.359 ( -9.086 0.000 0.422) 9.096 78.940 ( 3.098 0.000 2.279) 3.846 79.189 ( 22.751 0.000 15.041) 27.274 79.546 ( -0.041 0.000 -25.222) 25.222 79.852 ( -0.734 0.000 -29.401) 29.410 80.513 ( 14.785 0.000 54.114) 56.098 80.656 ( 12.266 0.000 -12.653) 17.622 80.821 ( -7.891 0.000 14.269) 16.306 81.104 ( 27.748 0.000 -0.139) 27.749 81.518 ( 12.052 0.000 -2.147) 12.242 82.189 ( 5.902 0.000 4.843) 7.635 82.805 ( -2.961 0.000 1.647) 3.388 83.051 ( 0.321 0.000 -12.822) 12.826 83.485 ( 28.908 0.000 3.996) 29.183 83.538 ( -6.933 0.000 -6.292) 9.362 83.991 ( 14.612 0.000 7.864) 16.594 84.644 ( 2.057 0.000 17.914) 18.032 87.135 ( -47.537 0.000 -30.685) 56.580 87.990 ( -14.909 0.000 -44.833) 47.247 88.791 ( -5.417 0.000 33.591) 34.025 89.460 ( -8.589 0.000 -10.047) 13.218 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -3.994 0.000 -32.095) 32.342 1.511 ( -3.007 0.000 -5.100) 5.921 1.760 ( -11.539 0.000 -2.910) 11.900 1.792 ( -5.522 0.000 4.141) 6.902 2.052 ( 17.573 0.000 -4.892) 18.241 2.146 ( 12.183 0.000 6.793) 13.949 2.524 ( 0.579 0.000 -9.677) 9.695 2.579 ( 1.832 0.000 2.416) 3.032 2.704 ( 14.868 0.000 -7.278) 16.553 2.833 ( -11.756 0.000 4.940) 12.752 2.880 ( -2.733 0.000 -1.249) 3.005 3.185 ( -4.586 0.000 -0.597) 4.624 3.265 ( -7.665 0.000 1.105) 7.745 3.381 ( -7.305 0.000 0.552) 7.326 3.866 ( 2.696 0.000 6.467) 7.006 3.995 ( 1.343 0.000 3.691) 3.928 4.171 ( 1.159 0.000 0.209) 1.178 4.483 ( -14.121 0.000 0.608) 14.134 5.151 ( 7.347 0.000 -2.329) 7.707 5.339 ( 5.191 0.000 14.758) 15.645 5.518 ( -6.762 0.000 4.243) 7.983 5.545 ( -0.916 0.000 -5.138) 5.219 5.834 ( 2.544 0.000 4.909) 5.529 5.996 ( -1.902 0.000 -0.102) 1.904 6.070 ( 0.965 0.000 3.374) 3.509 6.110 ( 2.749 0.000 -5.790) 6.409 6.271 ( 7.529 0.000 0.973) 7.592 6.474 ( -1.018 0.000 2.545) 2.741 6.838 ( 2.688 0.000 1.649) 3.154 6.949 ( -0.252 0.000 -3.678) 3.686 7.295 ( 8.146 0.000 -8.036) 11.442 7.467 ( 0.467 0.000 -0.495) 0.680 7.498 ( -3.285 0.000 -1.970) 3.830 7.692 ( -3.552 0.000 7.971) 8.727 7.922 ( -2.597 0.000 1.789) 3.153 7.962 ( -5.383 0.000 -1.616) 5.620 8.406 ( 4.447 0.000 1.035) 4.566 8.614 ( 4.865 0.000 -0.047) 4.866 8.756 ( -10.862 0.000 -3.145) 11.308 8.858 ( -7.744 0.000 0.721) 7.777 9.265 ( 4.542 0.000 -14.164) 14.874 9.288 ( 0.586 0.000 12.122) 12.137 9.456 ( -2.021 0.000 13.676) 13.825 9.481 ( 1.223 0.000 -16.449) 16.494 10.066 ( 1.050 0.000 10.146) 10.200 10.295 ( -5.004 0.000 -11.528) 12.567 10.513 ( 10.033 0.000 6.981) 12.223 10.973 ( -6.980 0.000 -13.926) 15.577 11.585 ( 25.293 0.000 15.948) 29.901 12.023 ( 9.379 0.000 -8.984) 12.988 12.077 ( 9.496 0.000 1.469) 9.609 12.626 ( -14.352 0.000 -10.797) 17.960 12.737 ( 9.191 0.000 -8.704) 12.658 12.859 ( -6.488 0.000 21.718) 22.667 12.933 ( 3.510 0.000 19.938) 20.245 13.163 ( -8.530 0.000 -16.032) 18.160 13.191 ( -11.544 0.000 6.635) 13.315 13.423 ( -1.200 0.000 -12.414) 12.472 13.655 ( -1.276 0.000 -5.842) 5.980 14.180 ( -15.257 0.000 3.843) 15.733 17.327 ( -4.996 0.000 -2.867) 5.760 17.359 ( -6.374 0.000 0.602) 6.403 17.704 ( 4.228 0.000 -1.409) 4.456 17.766 ( 4.499 0.000 -2.982) 5.397 17.926 ( -3.146 0.000 4.253) 5.290 17.955 ( -5.520 0.000 0.611) 5.554 18.425 ( -1.066 0.000 -2.910) 3.100 18.443 ( 1.102 0.000 -6.415) 6.509 18.581 ( 6.620 0.000 10.773) 12.644 18.669 ( 1.705 0.000 5.843) 6.087 18.927 ( -0.981 0.000 -4.355) 4.465 19.044 ( 6.954 0.000 3.235) 7.669 19.096 ( 5.982 0.000 7.372) 9.494 19.184 ( -7.417 0.000 -7.536) 10.574 19.317 ( -4.337 0.000 -4.501) 6.251 19.331 ( -1.326 0.000 -12.127) 12.200 19.483 ( 0.714 0.000 13.465) 13.484 19.521 ( 3.118 0.000 -9.327) 9.835 19.661 ( 3.821 0.000 -1.239) 4.017 19.789 ( -1.230 0.000 5.841) 5.969 19.963 ( 3.866 0.000 6.677) 7.716 20.012 ( 2.343 0.000 -1.656) 2.869 20.137 ( 3.053 0.000 -0.470) 3.089 20.242 ( -2.052 0.000 0.147) 2.057 23.231 ( 2.851 0.000 -5.110) 5.852 23.281 ( -0.979 0.000 6.554) 6.627 23.460 ( -1.642 0.000 -0.963) 1.904 23.499 ( -3.223 0.000 -1.392) 3.511 23.917 ( 1.448 0.000 0.445) 1.515 23.921 ( 1.615 0.000 -2.428) 2.916 24.317 ( 0.165 0.000 -1.647) 1.656 24.339 ( 2.286 0.000 4.523) 5.068 24.375 ( 3.481 0.000 5.059) 6.141 24.397 ( -1.451 0.000 0.813) 1.663 24.911 ( 8.744 0.000 -8.554) 12.232 24.997 ( 2.377 0.000 -1.106) 2.622 25.214 ( -4.225 0.000 4.831) 6.418 25.285 ( -6.586 0.000 1.103) 6.678 25.532 ( 6.265 0.000 -3.538) 7.195 25.622 ( 2.927 0.000 5.438) 6.176 26.138 ( -0.098 0.000 -2.393) 2.395 26.139 ( -7.988 0.000 -0.692) 8.018 26.156 ( 0.190 0.000 5.190) 5.194 26.567 ( -1.493 0.000 -4.411) 4.657 26.812 ( -0.857 0.000 -9.531) 9.570 26.949 ( -4.716 0.000 7.253) 8.652 27.544 ( 3.779 0.000 -5.714) 6.851 27.544 ( 0.163 0.000 11.301) 11.302 34.023 ( 11.328 0.000 -0.868) 11.362 34.253 ( 5.892 0.000 2.189) 6.285 34.444 ( 4.354 0.000 -2.295) 4.922 34.506 ( -5.920 0.000 -6.163) 8.545 35.023 ( -0.064 0.000 9.628) 9.628 35.030 ( 7.737 0.000 -0.245) 7.741 35.183 ( -2.687 0.000 -4.645) 5.366 35.223 ( -7.212 0.000 0.009) 7.212 35.257 ( -3.823 0.000 18.452) 18.844 35.477 ( 3.658 0.000 -16.206) 16.614 35.680 ( -21.941 0.000 -1.324) 21.981 35.981 ( -17.852 0.000 1.173) 17.891 38.011 ( 6.223 0.000 1.688) 6.448 38.363 ( 7.056 0.000 9.944) 12.194 38.392 ( -9.656 0.000 -1.055) 9.714 38.769 ( -8.176 0.000 -10.771) 13.523 38.842 ( 0.387 0.000 2.159) 2.193 38.963 ( -3.166 0.000 -5.564) 6.402 39.096 ( -0.861 0.000 7.626) 7.674 39.100 ( 2.155 0.000 -7.733) 8.028 39.700 ( 10.366 0.000 6.830) 12.414 39.878 ( 3.621 0.000 -5.986) 6.996 40.331 ( 8.103 0.000 6.211) 10.209 40.390 ( 6.630 0.000 -2.143) 6.967 76.926 ( -0.236 0.000 1.502) 1.520 77.232 ( -14.228 0.000 -6.668) 15.713 77.249 ( 10.785 0.000 12.248) 16.319 78.001 ( -18.591 0.000 -18.160) 25.988 79.044 ( 3.295 0.000 15.743) 16.084 79.365 ( -6.216 0.000 -23.663) 24.465 79.656 ( 12.981 0.000 30.541) 33.186 79.845 ( 9.237 0.000 -36.295) 37.452 80.668 ( -6.097 0.000 10.899) 12.488 80.757 ( 1.920 0.000 -12.337) 12.485 81.142 ( 17.248 0.000 48.807) 51.765 81.436 ( 10.781 0.000 -20.231) 22.925 81.934 ( 31.684 0.000 9.600) 33.106 82.344 ( 5.459 0.000 14.462) 15.458 82.813 ( 0.673 0.000 12.330) 12.348 82.847 ( -10.378 0.000 -23.288) 25.495 83.461 ( -1.347 0.000 1.594) 2.088 83.974 ( 11.417 0.000 2.788) 11.753 84.272 ( 9.885 0.000 3.868) 10.615 84.457 ( -20.671 0.000 -15.642) 25.922 86.507 ( -4.744 0.000 6.904) 8.377 87.450 ( -22.443 0.000 -45.807) 51.009 88.853 ( 0.527 0.000 27.430) 27.435 89.228 ( -9.937 0.000 -12.238) 15.765 ======================= Grid point 130 (68/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 8.987 0.000 -8.430) 12.322 1.339 ( -8.987 0.000 8.430) 12.322 1.697 ( -2.370 0.000 -3.042) 3.857 1.697 ( 2.370 0.000 3.042) 3.857 2.347 ( 4.638 0.000 -9.479) 10.553 2.347 ( -4.638 0.000 9.479) 10.553 2.477 ( 5.894 0.000 -9.116) 10.855 2.477 ( -5.894 0.000 9.116) 10.855 2.762 ( -6.003 0.000 -1.046) 6.093 2.762 ( 6.003 0.000 1.046) 6.093 3.000 ( 13.837 0.000 -5.319) 14.824 3.000 ( -13.837 0.000 5.319) 14.824 3.261 ( 5.087 0.000 -2.041) 5.481 3.261 ( -5.087 0.000 2.041) 5.481 3.951 ( -4.699 0.000 -1.649) 4.980 3.951 ( 4.699 0.000 1.649) 4.980 4.266 ( -7.385 0.000 -0.554) 7.406 4.266 ( 7.385 0.000 0.554) 7.406 5.318 ( -9.106 0.000 2.969) 9.578 5.318 ( 9.106 0.000 -2.969) 9.578 5.497 ( -1.965 0.000 -6.818) 7.095 5.497 ( 1.965 0.000 6.818) 7.095 5.918 ( -3.807 0.000 -5.909) 7.030 5.918 ( 3.807 0.000 5.909) 7.030 6.106 ( -0.548 0.000 -4.733) 4.764 6.106 ( 0.548 0.000 4.733) 4.764 6.413 ( -5.862 0.000 1.699) 6.103 6.413 ( 5.862 0.000 -1.699) 6.103 6.902 ( -2.595 0.000 -3.500) 4.357 6.902 ( 2.595 0.000 3.500) 4.357 7.417 ( 5.567 0.000 -3.686) 6.677 7.417 ( -5.567 0.000 3.686) 6.677 7.549 ( -8.565 0.000 2.657) 8.968 7.549 ( 8.565 0.000 -2.657) 8.968 7.919 ( -0.299 0.000 -3.157) 3.171 7.919 ( 0.299 0.000 3.157) 3.171 8.545 ( -8.578 0.000 -2.905) 9.056 8.545 ( 8.578 0.000 2.905) 9.056 8.724 ( -5.996 0.000 0.469) 6.014 8.724 ( 5.996 0.000 -0.469) 6.014 9.304 ( 3.390 0.000 -12.576) 13.025 9.304 ( -3.390 0.000 12.576) 13.025 9.464 ( 2.396 0.000 -15.037) 15.226 9.464 ( -2.396 0.000 15.037) 15.226 10.148 ( -4.071 0.000 -11.138) 11.859 10.148 ( 4.071 0.000 11.138) 11.859 10.754 ( -10.111 0.000 -12.425) 16.019 10.754 ( 10.111 0.000 12.425) 16.019 12.044 ( -9.964 0.000 -14.348) 17.469 12.044 ( 9.964 0.000 14.348) 17.469 12.286 ( -11.570 0.000 -7.115) 13.583 12.286 ( 11.570 0.000 7.115) 13.583 12.812 ( 2.843 0.000 -9.536) 9.950 12.812 ( -2.843 0.000 9.536) 9.950 13.016 ( 0.933 0.000 -17.604) 17.629 13.016 ( -0.933 0.000 17.604) 17.629 13.197 ( -6.913 0.000 -20.166) 21.318 13.197 ( 6.913 0.000 20.166) 21.318 13.875 ( -15.847 0.000 0.257) 15.849 13.875 ( 15.847 0.000 -0.257) 15.849 17.283 ( 1.237 0.000 -1.193) 1.719 17.283 ( -1.237 0.000 1.193) 1.719 17.788 ( -3.045 0.000 -0.435) 3.076 17.788 ( 3.045 0.000 0.435) 3.076 17.887 ( 0.995 0.000 -2.978) 3.140 17.887 ( -0.995 0.000 2.978) 3.140 18.424 ( -0.796 0.000 -1.390) 1.602 18.424 ( 0.796 0.000 1.390) 1.602 18.698 ( -1.304 0.000 -0.085) 1.307 18.698 ( 1.304 0.000 0.085) 1.307 18.979 ( -7.302 0.000 -4.575) 8.617 18.979 ( 7.302 0.000 4.575) 8.617 19.193 ( -6.437 0.000 -2.472) 6.895 19.193 ( 6.437 0.000 2.472) 6.895 19.234 ( -4.048 0.000 -8.124) 9.077 19.234 ( 4.048 0.000 8.124) 9.077 19.533 ( 0.854 0.000 -11.403) 11.435 19.533 ( -0.854 0.000 11.403) 11.435 19.744 ( 4.835 0.000 -3.800) 6.150 19.744 ( -4.835 0.000 3.800) 6.150 20.023 ( -0.053 0.000 -5.674) 5.674 20.023 ( 0.053 0.000 5.674) 5.674 20.194 ( -2.687 0.000 0.060) 2.688 20.194 ( 2.687 0.000 -0.060) 2.688 23.267 ( 2.655 0.000 -6.277) 6.815 23.267 ( -2.655 0.000 6.277) 6.815 23.452 ( -1.014 0.000 -0.276) 1.051 23.452 ( 1.014 0.000 0.276) 1.051 23.934 ( 0.088 0.000 -0.598) 0.605 23.934 ( -0.088 0.000 0.598) 0.605 24.333 ( 2.191 0.000 -2.667) 3.452 24.333 ( -2.191 0.000 2.667) 3.452 24.414 ( 0.907 0.000 -1.401) 1.669 24.414 ( -0.907 0.000 1.401) 1.669 25.028 ( 3.515 0.000 -5.516) 6.540 25.028 ( -3.515 0.000 5.516) 6.540 25.168 ( -2.457 0.000 -0.334) 2.479 25.168 ( 2.457 0.000 0.334) 2.479 25.639 ( 4.663 0.000 -6.817) 8.260 25.639 ( -4.663 0.000 6.817) 8.260 26.035 ( 1.235 0.000 -2.753) 3.017 26.035 ( -1.235 0.000 2.753) 3.017 26.391 ( -11.500 0.000 -4.703) 12.425 26.391 ( 11.500 0.000 4.703) 12.425 26.864 ( 6.363 0.000 -8.329) 10.482 26.864 ( -6.363 0.000 8.329) 10.482 27.568 ( 1.573 0.000 -9.122) 9.256 27.568 ( -1.573 0.000 9.122) 9.256 34.279 ( -13.098 0.000 -3.095) 13.458 34.279 ( 13.098 0.000 3.095) 13.458 34.395 ( -6.285 0.000 -5.245) 8.186 34.395 ( 6.285 0.000 5.245) 8.186 35.085 ( -3.353 0.000 -7.249) 7.987 35.085 ( 3.353 0.000 7.249) 7.987 35.229 ( 5.204 0.000 -13.135) 14.128 35.229 ( -5.204 0.000 13.135) 14.128 35.265 ( -16.733 0.000 -4.327) 17.283 35.265 ( 16.733 0.000 4.327) 17.283 35.647 ( -15.467 0.000 3.591) 15.879 35.647 ( 15.467 0.000 -3.591) 15.879 38.186 ( -9.760 0.000 -3.243) 10.285 38.186 ( 9.760 0.000 3.243) 10.285 38.560 ( -8.435 0.000 -12.031) 14.694 38.560 ( 8.435 0.000 12.031) 14.694 38.888 ( -2.419 0.000 -4.745) 5.326 38.888 ( 2.419 0.000 4.745) 5.326 39.105 ( 1.303 0.000 -8.172) 8.275 39.105 ( -1.303 0.000 8.172) 8.275 39.860 ( -3.299 0.000 -6.585) 7.365 39.860 ( 3.299 0.000 6.585) 7.365 40.438 ( -0.685 0.000 -4.304) 4.358 40.438 ( 0.685 0.000 4.304) 4.358 77.003 ( -6.962 0.000 -4.674) 8.385 77.003 ( 6.962 0.000 4.674) 8.385 77.582 ( -16.368 0.000 -18.971) 25.056 77.582 ( 16.368 0.000 18.971) 25.056 79.181 ( -4.118 0.000 -21.231) 21.626 79.181 ( 4.118 0.000 21.231) 21.627 79.865 ( 4.157 0.000 -38.033) 38.260 79.865 ( -4.157 0.000 38.033) 38.260 80.677 ( -3.066 0.000 -9.907) 10.371 80.677 ( 3.066 0.000 9.907) 10.371 81.442 ( -0.649 0.000 -30.244) 30.251 81.442 ( 0.649 0.000 30.244) 30.251 82.528 ( -3.751 0.000 -14.500) 14.978 82.528 ( 3.751 0.000 14.500) 14.978 82.694 ( -19.435 0.000 0.402) 19.439 82.694 ( 19.435 0.000 -0.402) 19.439 83.601 ( -19.515 0.000 -16.495) 25.552 83.601 ( 19.515 0.000 16.495) 25.552 84.359 ( 2.469 0.000 -2.672) 3.639 84.359 ( -2.469 0.000 2.672) 3.639 86.837 ( -21.703 0.000 -39.316) 44.909 86.837 ( 21.703 0.000 39.316) 44.909 89.007 ( -6.377 0.000 -18.819) 19.870 89.007 ( 6.377 0.000 18.819) 19.870 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -9.495 17.523 -10.206) 22.391 1.393 ( 9.495 17.523 10.206) 22.391 1.875 ( 6.293 9.967 -13.965) 18.275 1.875 ( -6.293 9.967 13.965) 18.275 2.195 ( -3.555 -3.039 -11.597) 12.504 2.195 ( 3.555 -3.039 11.597) 12.504 2.664 ( 3.566 1.424 -8.029) 8.900 2.664 ( -3.566 1.424 8.029) 8.900 2.976 ( 1.039 -4.889 -7.172) 8.742 2.976 ( -1.039 -4.889 7.172) 8.742 3.116 ( -4.393 -1.554 -11.241) 12.168 3.116 ( 4.393 -1.554 11.241) 12.168 3.367 ( -4.209 1.853 -5.073) 6.847 3.367 ( 4.209 1.853 5.073) 6.847 3.654 ( -1.623 1.071 -2.668) 3.301 3.654 ( 1.623 1.071 2.668) 3.301 4.652 ( 1.668 7.184 -9.993) 12.420 4.652 ( -1.668 7.184 9.993) 12.420 5.340 ( -12.150 2.691 -1.141) 12.497 5.340 ( 12.150 2.691 1.141) 12.497 5.481 ( -5.333 -7.778 -8.457) 12.667 5.481 ( 5.333 -7.778 8.457) 12.667 5.678 ( -0.466 -1.572 -4.113) 4.428 5.678 ( 0.466 -1.572 4.113) 4.428 6.007 ( 8.171 -1.974 -5.515) 10.054 6.007 ( -8.171 -1.974 5.515) 10.054 6.183 ( -0.884 -2.285 -5.120) 5.676 6.183 ( 0.884 -2.285 5.120) 5.676 6.845 ( -1.543 7.184 -4.258) 8.493 6.845 ( 1.543 7.184 4.258) 8.493 7.228 ( -5.042 1.104 -3.988) 6.523 7.228 ( 5.042 1.104 3.988) 6.523 7.574 ( -0.464 0.011 -3.396) 3.427 7.574 ( 0.464 0.011 3.396) 3.427 8.267 ( -0.928 -5.325 -2.501) 5.956 8.267 ( 0.928 -5.325 2.501) 5.956 8.633 ( -3.464 -0.518 -2.016) 4.041 8.633 ( 3.464 -0.518 2.016) 4.041 8.862 ( 1.644 -0.749 -11.397) 11.539 8.862 ( -1.644 -0.749 11.397) 11.539 9.332 ( 1.499 -8.093 -8.628) 11.924 9.332 ( -1.499 -8.093 8.628) 11.924 9.658 ( -12.075 -3.549 -4.023) 13.213 9.658 ( 12.075 -3.549 4.023) 13.213 9.926 ( 1.600 2.006 -6.904) 7.365 9.926 ( -1.600 2.006 6.904) 7.365 10.214 ( -11.254 6.030 1.794) 12.893 10.214 ( 11.254 6.030 -1.794) 12.893 11.628 ( -5.685 3.000 -7.762) 10.078 11.628 ( 5.685 3.000 7.762) 10.078 12.117 ( -3.420 -3.918 -10.353) 11.586 12.117 ( 3.420 -3.918 10.353) 11.586 12.824 ( 6.777 0.420 -11.951) 13.745 12.824 ( -6.777 0.420 11.951) 13.745 12.985 ( 5.207 -0.469 -14.564) 15.474 12.985 ( -5.207 -0.469 14.564) 15.474 13.904 ( 1.965 1.118 -13.669) 13.854 13.904 ( -1.965 1.118 13.669) 13.854 14.550 ( -4.339 1.120 -7.269) 8.540 14.550 ( 4.339 1.120 7.269) 8.540 17.510 ( 0.024 2.424 -4.608) 5.207 17.510 ( -0.024 2.424 4.608) 5.207 17.895 ( -3.345 0.516 0.249) 3.394 17.895 ( 3.345 0.516 -0.249) 3.394 18.036 ( -0.463 -3.296 -5.271) 6.234 18.036 ( 0.463 -3.296 5.271) 6.234 18.262 ( -15.086 -1.769 -3.219) 15.527 18.262 ( 15.086 -1.769 3.219) 15.527 18.522 ( -2.697 -4.552 -2.240) 5.745 18.522 ( 2.697 -4.552 2.240) 5.745 18.729 ( -3.700 -1.693 -2.780) 4.929 18.729 ( 3.700 -1.693 2.780) 4.929 19.095 ( -4.811 1.770 -1.723) 5.408 19.095 ( 4.811 1.770 1.723) 5.408 19.299 ( 3.523 3.338 -3.363) 5.905 19.299 ( -3.523 3.338 3.363) 5.905 19.538 ( -5.634 2.269 -0.994) 6.154 19.538 ( 5.634 2.269 0.994) 6.154 19.708 ( 0.043 -0.902 -2.167) 2.348 19.708 ( -0.043 -0.902 2.167) 2.348 19.825 ( -0.647 0.196 -6.766) 6.800 19.825 ( 0.647 0.196 6.766) 6.800 20.098 ( -2.526 -1.111 -4.242) 5.060 20.098 ( 2.526 -1.111 4.242) 5.060 23.244 ( -0.212 4.598 -5.542) 7.204 23.244 ( 0.212 4.598 5.542) 7.204 23.587 ( 1.882 -4.504 -4.595) 6.704 23.587 ( -1.882 -4.504 4.595) 6.704 23.896 ( 1.241 5.174 -2.443) 5.855 23.896 ( -1.241 5.174 2.443) 5.855 24.200 ( -0.482 1.512 -2.883) 3.291 24.200 ( 0.482 1.512 2.883) 3.291 24.488 ( -4.058 0.751 1.001) 4.246 24.488 ( 4.058 0.751 -1.001) 4.246 24.654 ( -6.844 -3.931 -2.379) 8.243 24.654 ( 6.844 -3.931 2.379) 8.243 25.206 ( -1.948 0.817 0.198) 2.122 25.206 ( 1.948 0.817 -0.198) 2.122 25.519 ( -0.294 -3.251 -0.761) 3.351 25.519 ( 0.294 -3.251 0.761) 3.351 26.072 ( -6.524 1.273 0.985) 6.719 26.072 ( 6.524 1.273 -0.985) 6.719 26.678 ( -0.497 0.730 -7.188) 7.242 26.678 ( 0.497 0.730 7.188) 7.242 27.106 ( 2.435 0.800 -2.376) 3.495 27.106 ( -2.435 0.800 2.376) 3.495 27.300 ( -3.019 -0.190 -6.122) 6.828 27.300 ( 3.019 -0.190 6.122) 6.828 33.979 ( -6.064 0.584 -7.737) 9.848 33.979 ( 6.064 0.584 7.737) 9.848 34.127 ( -2.620 -0.887 -4.361) 5.165 34.127 ( 2.620 -0.887 4.361) 5.165 35.016 ( 1.427 0.168 -12.623) 12.705 35.016 ( -1.427 0.168 12.623) 12.705 35.226 ( 3.003 -1.448 -14.465) 14.844 35.226 ( -3.003 -1.448 14.465) 14.844 36.150 ( -8.447 1.861 -8.443) 12.087 36.150 ( 8.447 1.861 8.443) 12.087 36.280 ( -10.388 -0.375 -10.344) 14.665 36.280 ( 10.388 -0.375 10.344) 14.665 38.419 ( -10.060 0.790 -8.580) 13.246 38.419 ( 10.060 0.790 8.580) 13.246 38.559 ( -15.205 -1.053 -6.704) 16.650 38.559 ( 15.205 -1.053 6.704) 16.650 39.010 ( 1.413 1.052 -5.896) 6.153 39.010 ( -1.413 1.052 5.896) 6.153 39.182 ( -5.038 -3.478 -2.567) 6.638 39.182 ( 5.038 -3.478 2.567) 6.638 39.519 ( -8.326 2.551 -4.578) 9.838 39.519 ( 8.326 2.551 4.578) 9.838 39.593 ( -12.251 0.366 -2.118) 12.438 39.593 ( 12.251 0.366 2.118) 12.438 77.547 ( -16.587 -1.337 -10.863) 19.872 77.547 ( 16.587 -1.337 10.863) 19.872 77.935 ( -16.996 0.756 -8.281) 18.921 77.935 ( 16.996 0.756 8.281) 18.921 78.943 ( -29.112 -3.109 -9.142) 30.672 78.943 ( 29.112 -3.109 9.142) 30.672 79.371 ( -16.180 -10.648 -6.875) 20.554 79.371 ( 16.180 -10.648 6.875) 20.554 80.457 ( 5.141 11.023 -30.711) 33.032 80.457 ( -5.141 11.023 30.711) 33.032 80.799 ( -8.928 5.533 -11.914) 15.883 80.799 ( 8.928 5.533 11.914) 15.883 81.776 ( -22.860 3.636 -17.188) 28.831 81.776 ( 22.860 3.636 17.188) 28.831 82.428 ( -11.563 -9.038 -20.584) 25.280 82.428 ( 11.563 -9.038 20.584) 25.280 83.515 ( -11.421 6.249 -14.181) 19.251 83.515 ( 11.421 6.249 14.181) 19.251 84.080 ( -12.090 -4.613 -21.511) 25.103 84.080 ( 12.090 -4.613 21.511) 25.103 88.451 ( 5.242 -2.994 -28.888) 29.512 88.451 ( -5.242 -2.994 28.888) 29.512 89.257 ( -18.678 -5.891 1.401) 19.635 89.257 ( 18.678 -5.891 -1.401) 19.635 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.536 8.273 -11.015) 14.007 1.660 ( 11.440 19.935 2.712) 23.143 1.752 ( -6.922 4.177 11.618) 14.154 1.967 ( -0.401 5.764 -3.780) 6.905 2.132 ( 6.508 2.370 -3.961) 7.979 2.372 ( 5.170 -0.024 -2.595) 5.785 2.462 ( -14.939 -2.680 -14.359) 20.893 2.594 ( -7.834 2.802 -26.852) 28.112 2.672 ( -8.003 -1.276 -13.544) 15.783 2.776 ( -4.381 -4.290 -2.141) 6.495 3.095 ( -5.359 -4.214 0.623) 6.846 3.384 ( 8.671 -0.084 8.834) 12.379 3.425 ( 3.059 -3.603 6.369) 7.931 3.559 ( 6.876 2.842 13.767) 15.649 3.626 ( 1.725 2.202 7.329) 7.845 3.660 ( -0.596 2.595 1.639) 3.127 4.635 ( -6.920 7.091 -6.377) 11.783 4.687 ( 4.555 5.904 -3.608) 8.284 5.081 ( -6.828 4.877 17.251) 19.183 5.296 ( -10.533 -7.484 -0.653) 12.938 5.583 ( 3.388 -4.819 -1.940) 6.202 5.611 ( 3.631 -3.670 6.240) 8.099 5.647 ( -0.335 0.221 -0.459) 0.610 5.751 ( 8.249 -3.399 3.302) 9.513 5.905 ( 0.139 4.001 4.554) 6.064 6.137 ( -0.556 -0.281 -2.320) 2.403 6.188 ( 1.863 -1.948 0.672) 2.778 6.260 ( 9.514 -3.962 -1.846) 10.470 6.784 ( -2.186 5.213 -1.034) 5.746 6.923 ( 3.627 6.170 0.999) 7.227 7.142 ( -2.414 -0.817 -1.974) 3.224 7.370 ( 6.193 -0.945 5.596) 8.400 7.562 ( 0.871 1.677 -2.127) 2.845 7.594 ( 0.126 0.245 2.811) 2.825 8.163 ( -7.159 -5.707 -1.674) 9.307 8.270 ( -2.896 -2.877 -0.854) 4.170 8.484 ( -6.162 2.023 -4.631) 7.969 8.613 ( -3.401 2.324 -4.946) 6.436 8.891 ( 1.527 -5.431 -4.717) 7.354 8.928 ( 4.197 -2.125 9.336) 10.454 9.243 ( -7.490 -5.222 -6.229) 11.053 9.351 ( 0.546 -1.252 8.281) 8.392 9.482 ( -5.125 -4.623 -5.069) 8.563 9.761 ( -9.373 0.123 -8.905) 12.929 9.841 ( 1.254 -6.737 8.741) 11.107 10.000 ( 9.764 -2.475 -0.996) 10.122 10.246 ( 9.505 8.492 5.777) 13.994 10.587 ( 23.059 6.169 3.331) 24.101 11.426 ( -10.529 2.788 -11.110) 15.559 11.744 ( 4.227 0.530 0.160) 4.263 12.018 ( -2.873 -3.569 -8.784) 9.907 12.254 ( 7.325 -3.791 10.094) 13.035 12.767 ( -2.029 2.603 11.010) 11.494 12.921 ( 2.200 -1.101 -6.134) 6.609 12.931 ( -3.512 0.371 11.326) 11.864 13.033 ( 4.847 -2.375 -7.239) 9.030 13.786 ( -7.856 1.318 -16.229) 18.079 13.800 ( -11.842 1.686 7.109) 13.915 14.349 ( -12.410 3.579 -8.415) 15.415 14.561 ( -5.266 -0.998 5.360) 7.580 17.516 ( 1.340 1.255 -3.700) 4.130 17.541 ( 0.730 2.299 4.738) 5.316 17.768 ( -8.360 0.363 -2.870) 8.846 17.829 ( -7.252 0.391 -1.055) 7.339 18.026 ( -5.156 -1.483 -2.534) 5.933 18.051 ( 1.507 3.007 1.135) 3.550 18.145 ( 6.036 -5.317 5.260) 9.611 18.452 ( -1.915 -5.143 -0.229) 5.493 18.552 ( 10.145 -1.176 1.782) 10.367 18.600 ( 3.178 -4.989 -3.338) 6.792 18.661 ( -0.901 0.470 1.670) 1.955 18.817 ( 3.947 -1.956 1.120) 4.545 18.984 ( -1.885 1.248 -2.329) 3.245 19.205 ( 5.687 -0.446 -2.796) 6.353 19.294 ( -0.813 7.349 -0.148) 7.396 19.385 ( 2.373 -0.752 -0.149) 2.494 19.481 ( 2.929 2.640 6.105) 7.268 19.579 ( -4.752 -5.508 1.412) 7.410 19.660 ( -0.037 2.402 -6.681) 7.100 19.724 ( 1.615 0.837 -2.992) 3.501 19.814 ( 1.362 2.215 -0.836) 2.731 19.873 ( 1.442 -0.052 7.001) 7.148 20.073 ( 1.351 0.976 -2.346) 2.878 20.177 ( 3.260 -2.645 3.696) 5.593 23.213 ( -0.460 3.060 -2.728) 4.125 23.283 ( 1.174 4.728 2.916) 5.677 23.531 ( -3.332 -4.105 0.460) 5.307 23.595 ( -0.791 -4.150 -4.188) 5.949 23.870 ( -0.030 4.448 2.111) 4.924 23.963 ( 3.814 5.784 -1.259) 7.041 24.173 ( -0.928 -0.266 2.995) 3.147 24.241 ( 1.774 2.590 3.339) 4.583 24.418 ( -3.130 1.402 0.389) 3.451 24.491 ( -3.581 -1.309 1.045) 3.954 24.639 ( 6.955 -0.188 -5.440) 8.832 24.824 ( 8.201 -4.690 1.397) 9.550 25.172 ( -0.012 0.757 -0.502) 0.909 25.277 ( 4.042 -0.593 -2.515) 4.797 25.492 ( -2.993 -2.721 4.170) 5.809 25.517 ( -1.667 -3.451 6.401) 7.460 25.972 ( -2.934 2.065 -1.254) 3.801 26.212 ( 6.928 -1.747 -2.105) 7.449 26.570 ( -7.022 1.716 -3.805) 8.168 26.665 ( -3.452 2.789 0.371) 4.454 27.022 ( -3.341 0.943 2.478) 4.265 27.103 ( -4.287 -0.725 -7.163) 8.380 27.322 ( 6.024 0.265 0.299) 6.037 27.397 ( 3.246 -0.413 9.187) 9.752 33.867 ( -1.456 1.385 -7.703) 7.961 34.056 ( 1.329 -3.531 -3.064) 4.861 34.177 ( 6.421 1.915 3.855) 7.730 34.269 ( 8.898 -0.589 9.552) 13.068 34.977 ( -0.426 0.531 -12.331) 12.349 35.015 ( -2.610 -0.410 10.690) 11.011 35.229 ( -1.191 -1.106 9.225) 9.367 35.252 ( 3.255 -0.800 -7.353) 8.081 35.858 ( -16.916 1.349 -6.685) 18.239 35.959 ( -16.529 -1.201 -7.658) 18.256 36.258 ( -2.164 3.304 6.461) 7.573 36.419 ( -1.186 -0.544 8.635) 8.733 38.153 ( -11.711 0.643 -7.110) 13.716 38.276 ( -9.228 -1.861 -2.827) 9.830 38.580 ( 2.142 2.207 9.151) 9.654 38.839 ( 6.461 -3.279 8.416) 11.105 39.001 ( -2.188 -0.885 -3.663) 4.357 39.017 ( 0.630 -1.389 -7.529) 7.682 39.115 ( 3.151 0.719 -0.895) 3.354 39.180 ( -4.189 0.466 -3.816) 5.686 39.344 ( -5.660 3.252 -0.660) 6.561 39.564 ( 9.350 -1.937 -0.971) 9.598 39.785 ( 14.602 2.440 6.234) 16.063 39.898 ( 15.733 -0.553 1.193) 15.788 77.159 ( -13.965 0.929 -6.690) 15.512 77.362 ( -18.378 -4.324 -7.828) 20.438 78.102 ( -5.016 2.791 2.052) 6.096 78.201 ( 5.076 -1.567 6.487) 8.385 78.616 ( 15.373 2.731 11.696) 19.509 79.041 ( -9.050 -10.719 -10.263) 17.381 79.429 ( 13.539 -5.065 -3.280) 14.823 79.853 ( 18.073 -12.040 13.748) 25.703 80.189 ( -10.700 3.822 -1.570) 11.470 80.497 ( -3.544 3.766 4.552) 6.890 80.748 ( 15.389 13.247 -4.633) 20.827 81.053 ( 8.944 11.560 4.125) 15.187 81.447 ( -4.240 1.464 -11.643) 12.477 82.116 ( 2.149 -0.533 -8.081) 8.379 82.534 ( 28.215 -5.212 7.752) 29.721 82.835 ( 19.716 -3.438 12.026) 23.349 83.244 ( -8.867 3.149 -13.850) 16.744 83.720 ( -8.406 -5.303 -11.305) 15.053 83.806 ( 5.729 7.321 3.998) 10.119 84.376 ( 9.952 -5.001 21.225) 23.970 88.118 ( -34.724 -3.777 -13.049) 37.286 88.299 ( -8.304 -4.401 -38.221) 39.359 88.907 ( -14.033 3.768 23.099) 27.289 89.457 ( 1.661 -9.628 -2.915) 10.196 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 8.595 -0.719 -12.867) 15.490 1.557 ( -6.449 -4.288 -12.176) 14.431 1.821 ( -2.032 8.780 0.129) 9.013 1.927 ( -9.440 -0.376 -6.042) 11.214 2.105 ( 1.956 3.380 -3.186) 5.040 2.129 ( -8.457 4.905 -14.486) 17.476 2.453 ( 6.662 -1.809 -9.693) 11.900 2.521 ( 3.114 0.219 -5.829) 6.612 2.581 ( 2.679 3.242 -2.203) 4.748 2.737 ( -1.345 -5.153 1.948) 5.671 3.000 ( -4.015 0.053 -0.482) 4.044 3.372 ( -6.353 -3.651 0.963) 7.390 3.459 ( -1.807 6.869 0.885) 7.158 3.553 ( -6.496 2.123 0.506) 6.853 3.743 ( 6.941 1.643 14.300) 15.980 3.850 ( 8.832 -0.738 8.700) 12.419 4.362 ( -12.812 5.934 -6.334) 15.476 4.706 ( -6.127 1.339 -2.392) 6.713 5.054 ( -2.211 -2.038 6.473) 7.138 5.266 ( 6.599 6.976 16.025) 18.682 5.564 ( -0.632 -1.245 -4.172) 4.399 5.631 ( -1.520 1.014 5.212) 5.523 5.726 ( 2.494 -2.973 1.417) 4.131 5.868 ( 3.949 -7.466 5.826) 10.261 6.040 ( 9.048 4.568 -3.185) 10.624 6.123 ( 0.086 2.277 -0.322) 2.301 6.203 ( 0.652 0.466 2.526) 2.650 6.435 ( 6.880 -1.447 0.268) 7.035 6.753 ( -0.520 0.511 -0.697) 1.008 6.970 ( 0.693 1.683 -2.240) 2.886 7.123 ( 1.560 -3.814 -1.907) 4.541 7.429 ( -1.453 -5.131 1.569) 5.559 7.583 ( -1.077 1.749 -0.657) 2.157 7.641 ( 4.279 1.901 5.583) 7.287 8.010 ( -5.901 -1.191 -2.198) 6.408 8.147 ( -8.074 -0.396 -1.754) 8.272 8.407 ( -0.271 3.542 -2.884) 4.575 8.577 ( 1.443 3.203 -2.066) 4.076 8.840 ( -5.389 -6.875 0.363) 8.743 9.047 ( -4.562 -8.192 -0.402) 9.386 9.068 ( 1.788 2.354 -2.117) 3.636 9.336 ( -3.471 -4.322 -1.809) 5.831 9.441 ( 1.089 4.897 6.047) 7.857 9.578 ( -4.915 -0.365 -10.213) 11.340 9.923 ( 3.569 -6.381 10.003) 12.390 10.161 ( 6.823 -7.703 -0.079) 10.290 10.456 ( 6.835 7.609 -1.649) 10.360 11.062 ( 14.625 -2.755 -2.956) 15.173 11.206 ( 1.447 9.069 -1.305) 9.276 11.801 ( 3.852 -6.204 -3.360) 8.039 12.010 ( 5.660 3.449 -4.798) 8.182 12.469 ( 10.490 -4.808 5.681) 12.862 12.789 ( -0.696 -0.408 6.476) 6.526 12.868 ( -3.944 -0.004 -11.186) 11.861 12.923 ( -1.740 2.204 20.637) 20.827 13.121 ( 2.861 -6.219 1.323) 6.972 13.501 ( -14.999 1.915 -11.692) 19.114 13.554 ( -11.260 2.057 -4.665) 12.361 14.042 ( -14.414 7.038 -8.012) 17.930 14.408 ( -11.267 -2.028 4.250) 12.211 17.465 ( -6.071 -0.923 -2.741) 6.725 17.493 ( -7.975 -0.371 1.054) 8.053 17.651 ( 0.649 1.511 0.049) 1.645 17.755 ( 0.220 3.589 -3.780) 5.217 17.957 ( -1.911 -1.185 1.619) 2.771 18.059 ( -1.731 2.919 -0.353) 3.412 18.311 ( 7.991 -4.998 7.627) 12.125 18.453 ( 1.968 -3.808 -0.298) 4.296 18.563 ( -4.211 3.605 1.178) 5.667 18.604 ( 1.406 2.242 -4.907) 5.575 18.813 ( 8.570 -5.155 5.168) 11.257 18.880 ( 2.248 -4.116 -0.893) 4.774 19.019 ( 3.920 0.339 -2.331) 4.573 19.256 ( -0.169 4.216 -2.838) 5.085 19.319 ( 6.096 0.024 -3.743) 7.153 19.411 ( -1.514 -1.666 1.879) 2.932 19.423 ( -6.207 -4.482 -2.100) 7.939 19.584 ( -0.146 3.791 -1.004) 3.924 19.641 ( 3.082 1.851 0.295) 3.607 19.772 ( 3.250 0.030 -2.722) 4.240 19.867 ( 2.805 2.428 5.634) 6.746 19.922 ( 0.944 -1.469 5.804) 6.061 20.120 ( 3.608 2.323 -1.581) 4.573 20.233 ( 1.265 -2.060 1.584) 2.890 23.209 ( 1.121 1.452 -2.652) 3.225 23.305 ( -0.072 3.215 3.181) 4.523 23.467 ( -2.921 -3.598 -0.778) 4.699 23.538 ( -3.196 -3.005 -2.908) 5.263 23.901 ( 2.156 3.754 1.538) 4.594 24.009 ( 1.324 6.869 -2.719) 7.506 24.211 ( 3.055 -2.953 6.262) 7.568 24.289 ( 1.304 0.768 1.958) 2.475 24.381 ( -0.067 3.198 1.388) 3.487 24.448 ( -1.130 1.148 1.643) 2.301 24.780 ( 8.847 0.674 -6.946) 11.268 24.945 ( 3.543 -2.321 -0.387) 4.253 25.196 ( 1.751 -1.752 0.068) 2.478 25.325 ( 0.317 -2.296 -3.237) 3.982 25.454 ( -0.506 -1.895 4.772) 5.159 25.516 ( -0.649 -3.152 7.678) 8.326 25.949 ( 0.688 -1.013 -0.627) 1.376 26.247 ( -5.433 -7.155 0.409) 8.993 26.423 ( -5.011 7.850 -2.542) 9.653 26.619 ( 1.706 5.934 -4.697) 7.758 26.934 ( -7.304 -1.265 -3.938) 8.394 27.001 ( -2.906 -0.016 0.833) 3.023 27.446 ( 5.489 -0.572 0.579) 5.549 27.485 ( 2.230 -0.241 9.188) 9.457 33.881 ( 5.207 1.427 -4.591) 7.088 34.098 ( 4.200 -4.253 -1.720) 6.220 34.329 ( 7.732 2.549 1.710) 8.319 34.478 ( 6.904 -1.699 5.145) 8.776 34.942 ( 1.967 1.166 -7.288) 7.638 35.009 ( -1.357 -0.176 10.216) 10.307 35.230 ( -2.070 -0.735 6.786) 7.133 35.292 ( 2.570 0.500 -3.877) 4.678 35.485 ( -17.351 1.547 -4.251) 17.931 35.609 ( -15.290 -2.332 -5.956) 16.574 36.103 ( -14.958 3.471 2.132) 15.502 36.284 ( -13.759 -0.909 3.615) 14.255 37.987 ( -2.279 1.585 -2.431) 3.691 38.202 ( 1.073 -3.149 3.658) 4.944 38.582 ( -4.673 3.441 5.845) 8.236 38.851 ( -2.912 -0.490 0.143) 2.957 38.919 ( -4.636 -3.416 -4.906) 7.565 39.000 ( -2.625 -4.077 -3.577) 6.025 39.070 ( 0.502 1.116 -7.402) 7.503 39.129 ( -2.183 0.739 -0.757) 2.426 39.483 ( 13.240 5.113 5.614) 15.263 39.759 ( 9.447 -1.268 -2.945) 9.977 40.093 ( 13.388 0.858 6.254) 14.802 40.187 ( 12.627 -1.105 0.069) 12.675 76.971 ( -5.097 -0.911 -1.322) 5.344 77.083 ( -6.749 -4.183 -1.522) 8.085 77.678 ( -19.327 5.351 -6.440) 21.063 78.253 ( -11.532 -8.877 -2.145) 14.710 78.958 ( 3.669 1.772 2.097) 4.583 79.145 ( 22.717 -1.723 10.035) 24.895 79.478 ( -4.243 -5.929 -15.945) 17.533 79.952 ( -0.195 -0.116 2.319) 2.330 80.207 ( 12.995 -6.335 3.751) 14.936 80.706 ( 9.290 -3.152 19.689) 21.998 81.075 ( 13.715 16.290 -0.493) 21.301 81.265 ( 12.833 13.177 -1.419) 18.448 81.505 ( 13.922 -0.805 -1.934) 14.079 82.198 ( 8.874 -1.112 3.373) 9.558 82.815 ( -4.558 2.450 -1.831) 5.489 83.111 ( 2.162 4.194 -8.916) 10.087 83.336 ( 13.737 -8.036 -5.045) 16.695 83.521 ( 7.738 -6.421 5.101) 11.275 84.064 ( 13.274 7.625 6.725) 16.720 84.626 ( 7.555 -2.577 18.387) 20.045 87.168 ( -45.032 3.870 -33.094) 56.019 87.892 ( -18.011 -8.902 -42.483) 46.994 88.829 ( -6.071 3.591 29.666) 30.493 89.360 ( -8.321 -8.442 -4.273) 12.600 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.698 -6.203 -25.605) 26.761 1.488 ( -11.102 -7.389 -15.832) 20.700 1.744 ( -0.380 -2.797 8.213) 8.684 1.823 ( -3.834 -3.177 1.017) 5.082 1.933 ( 6.711 3.947 -11.740) 14.087 2.319 ( 7.970 6.910 4.910) 11.635 2.441 ( -4.148 -12.947 5.525) 14.675 2.516 ( -1.015 -1.120 -5.592) 5.793 2.710 ( 2.119 1.713 -0.480) 2.767 2.797 ( 12.400 5.025 -6.830) 15.022 2.924 ( -3.678 2.928 -2.566) 5.356 3.219 ( -9.867 -2.397 3.296) 10.675 3.393 ( -3.269 9.386 -1.021) 9.991 3.429 ( -5.274 4.267 -0.171) 6.786 3.881 ( 2.991 1.514 7.156) 7.902 3.987 ( 2.348 -0.368 3.655) 4.360 4.207 ( -1.297 3.201 -0.003) 3.454 4.459 ( -13.941 -2.220 0.751) 14.137 5.164 ( 8.829 3.234 2.758) 9.799 5.436 ( 3.418 6.897 8.383) 11.380 5.530 ( -1.716 0.466 -3.584) 4.000 5.585 ( -3.763 3.898 2.405) 5.927 5.785 ( 3.908 -3.492 6.215) 8.130 5.964 ( 1.878 -3.456 1.422) 4.182 6.100 ( 0.416 1.346 -0.910) 1.678 6.140 ( 0.726 1.867 -1.728) 2.645 6.295 ( 7.393 2.960 -0.152) 7.965 6.502 ( -0.968 2.591 2.753) 3.902 6.772 ( 2.769 -4.589 0.432) 5.377 6.934 ( -2.724 -2.814 -3.971) 5.578 7.184 ( 5.562 -7.129 -5.125) 10.393 7.382 ( -3.528 -6.908 1.996) 8.009 7.550 ( -1.164 2.642 -0.952) 3.040 7.661 ( -4.712 -2.370 4.443) 6.896 7.960 ( 0.617 3.435 -1.309) 3.728 8.006 ( -4.266 2.741 -0.448) 5.091 8.444 ( 4.167 3.651 0.414) 5.555 8.633 ( 4.030 1.556 -1.242) 4.495 8.708 ( -6.777 -2.756 -1.551) 7.479 8.869 ( -8.522 -0.984 1.048) 8.643 9.181 ( 6.031 -2.661 -3.887) 7.653 9.290 ( -0.836 -2.751 -1.517) 3.251 9.473 ( -1.432 1.018 10.538) 10.684 9.498 ( -0.023 0.859 -8.862) 8.903 10.024 ( 3.053 -2.914 9.764) 10.637 10.245 ( -0.214 -4.512 -5.337) 6.992 10.510 ( 4.168 0.963 1.132) 4.425 10.925 ( -8.450 -4.831 -13.992) 17.045 11.664 ( 24.033 6.346 12.989) 28.045 11.965 ( 13.143 -3.142 -2.237) 13.697 12.165 ( 9.928 5.975 -2.457) 11.845 12.615 ( -6.677 -3.146 0.140) 7.383 12.635 ( -4.342 -2.279 -11.549) 12.547 12.885 ( 4.729 -4.946 15.803) 17.221 12.972 ( -3.124 3.805 6.781) 8.380 13.038 ( -10.124 -7.116 5.811) 13.671 13.206 ( -7.241 2.947 -11.637) 14.019 13.386 ( -5.918 -3.054 -7.561) 10.076 13.817 ( -2.899 10.722 -2.267) 11.336 14.173 ( -13.246 -0.727 2.210) 13.449 17.325 ( -5.074 -0.240 -2.418) 5.626 17.349 ( -6.100 -0.911 -0.061) 6.168 17.695 ( 2.590 -0.508 0.551) 2.697 17.758 ( 0.458 -1.651 -2.536) 3.060 17.944 ( -0.676 2.812 3.203) 4.316 18.002 ( -2.986 5.128 -1.381) 6.092 18.463 ( 4.133 -0.683 -4.981) 6.508 18.501 ( -0.039 1.293 7.250) 7.364 18.528 ( 2.969 -1.474 4.187) 5.341 18.620 ( 1.536 -0.369 -2.683) 3.114 18.889 ( -0.192 -3.239 0.733) 3.327 18.974 ( 5.166 -4.619 4.292) 8.151 19.105 ( 5.204 -0.469 0.420) 5.242 19.172 ( -5.887 -1.920 -5.673) 8.398 19.296 ( -2.302 0.141 -7.638) 7.979 19.352 ( -4.154 -0.068 -2.169) 4.686 19.479 ( 6.719 2.081 -0.093) 7.035 19.587 ( 1.436 3.856 2.408) 4.768 19.702 ( 2.193 2.885 0.047) 3.624 19.807 ( -0.209 1.213 1.718) 2.113 19.939 ( 1.779 -2.047 5.307) 5.960 19.950 ( 0.651 -4.068 2.051) 4.602 20.185 ( 3.255 2.912 -1.671) 4.676 20.243 ( -0.312 0.223 0.417) 0.567 23.235 ( 2.420 0.641 -3.045) 3.942 23.302 ( -1.498 1.531 3.952) 4.495 23.419 ( -1.360 -3.077 -0.855) 3.471 23.465 ( -3.098 -2.544 -1.617) 4.322 23.955 ( 2.399 4.223 1.405) 5.057 24.011 ( 0.059 5.932 -2.160) 6.313 24.282 ( 0.842 -2.711 1.946) 3.442 24.300 ( 0.472 -2.812 1.704) 3.322 24.428 ( 3.006 4.614 1.455) 5.696 24.459 ( 1.331 4.191 2.891) 5.262 24.921 ( 7.499 0.836 -7.056) 10.331 24.989 ( 2.624 -0.906 -1.724) 3.268 25.203 ( -2.513 -1.037 3.034) 4.074 25.244 ( -5.734 -3.264 0.534) 6.620 25.522 ( 4.428 -1.014 -1.040) 4.660 25.561 ( 2.928 -4.740 4.555) 7.197 25.965 ( -0.238 -5.887 0.852) 5.953 26.073 ( -9.246 -5.439 0.592) 10.743 26.373 ( 1.256 10.603 0.776) 10.705 26.650 ( -2.238 6.320 -4.619) 8.142 26.792 ( -0.558 -1.869 -7.065) 7.329 26.944 ( -4.330 -0.747 4.370) 6.197 27.530 ( 2.718 -0.668 1.068) 2.995 27.546 ( 1.131 -0.325 4.959) 5.097 34.034 ( 10.943 0.991 -0.842) 11.020 34.210 ( 7.037 -3.387 1.342) 7.924 34.450 ( 2.152 0.230 -2.080) 3.002 34.490 ( -5.345 -1.284 -5.064) 7.474 35.022 ( 3.478 0.658 0.085) 3.540 35.061 ( 4.212 1.848 9.647) 10.687 35.170 ( -4.768 -1.233 8.249) 9.607 35.224 ( -3.808 2.081 -10.028) 10.926 35.306 ( -5.822 2.232 14.863) 16.117 35.424 ( 4.027 -3.951 -12.817) 14.004 35.731 ( -20.552 3.903 -3.923) 21.284 35.964 ( -18.127 -1.651 0.308) 18.205 38.035 ( 6.117 2.152 2.258) 6.866 38.287 ( 2.808 -4.201 5.724) 7.635 38.469 ( -5.257 4.368 2.112) 7.154 38.742 ( -7.928 -2.442 -9.669) 12.739 38.843 ( 0.604 0.115 0.726) 0.951 38.940 ( -2.652 -2.018 -1.890) 3.831 39.079 ( 1.370 -0.653 -3.097) 3.449 39.104 ( -0.620 -0.175 0.412) 0.765 39.740 ( 9.601 3.330 5.702) 11.653 39.884 ( 4.225 0.345 -4.544) 6.214 40.327 ( 7.801 -0.290 5.240) 9.402 40.376 ( 6.620 -1.174 -1.785) 6.956 76.906 ( -0.769 -1.668 1.422) 2.322 77.049 ( -1.649 -8.406 1.776) 8.748 77.415 ( -3.616 7.477 2.066) 8.559 77.914 ( -16.497 -7.180 -14.653) 23.205 79.009 ( 0.989 -2.321 8.905) 9.256 79.272 ( -7.318 -7.541 -17.822) 20.690 79.586 ( 16.515 -0.644 9.945) 19.289 79.963 ( -1.172 1.438 -0.039) 1.855 80.533 ( 15.224 0.228 -2.349) 15.406 80.891 ( 1.657 2.453 11.535) 11.909 81.241 ( 4.710 7.589 17.229) 19.407 81.444 ( 7.650 0.551 -18.974) 20.466 81.983 ( 28.537 4.424 10.086) 30.588 82.394 ( 6.297 2.213 10.280) 12.257 82.745 ( -1.309 -1.270 -7.066) 7.297 82.918 ( -8.719 2.069 -4.240) 9.914 83.466 ( 5.130 2.226 6.044) 8.234 83.879 ( 9.525 -6.852 3.028) 12.118 84.327 ( 10.852 8.282 2.475) 13.874 84.695 ( -6.754 13.486 -2.835) 15.347 86.449 ( -12.028 -3.063 -3.950) 13.025 87.305 ( -24.857 -13.108 -43.364) 51.673 88.857 ( -0.835 0.590 23.840) 23.862 89.156 ( -9.137 -5.981 -7.846) 13.447 ======================= Grid point 140 (73/78) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 7.316 -8.697 -7.222) 13.465 1.223 ( -7.316 -8.697 7.222) 13.465 1.747 ( -1.100 1.177 -2.820) 3.247 1.747 ( 1.100 1.177 2.820) 3.247 2.203 ( 15.848 -8.474 -6.993) 19.284 2.203 ( -15.848 -8.474 6.993) 19.284 2.478 ( -1.754 -0.537 -7.083) 7.317 2.478 ( 1.754 -0.537 7.083) 7.317 2.806 ( -5.683 4.158 -3.625) 7.920 2.806 ( 5.683 4.158 3.625) 7.920 3.019 ( 11.018 0.196 -5.354) 12.252 3.019 ( -11.018 0.196 5.354) 12.252 3.366 ( 0.907 7.795 -1.079) 7.922 3.366 ( -0.907 7.795 1.079) 7.922 3.962 ( -3.907 1.541 -1.842) 4.586 3.962 ( 3.907 1.541 1.842) 4.586 4.261 ( -5.618 -0.414 -0.406) 5.648 4.261 ( 5.618 -0.414 0.406) 5.648 5.357 ( -6.557 3.958 -4.813) 9.046 5.357 ( 6.557 3.958 4.813) 9.046 5.542 ( -1.195 3.072 -3.627) 4.901 5.542 ( 1.195 3.072 3.627) 4.901 5.908 ( -4.860 -0.523 -6.784) 8.361 5.908 ( 4.860 -0.523 6.784) 8.361 6.128 ( -0.978 1.000 -2.297) 2.689 6.128 ( 0.978 1.000 2.297) 2.689 6.432 ( 0.997 2.278 -5.337) 5.888 6.432 ( -0.997 2.278 5.337) 5.888 6.851 ( -3.802 -4.620 -3.655) 7.011 6.851 ( 3.802 -4.620 3.655) 7.011 7.293 ( 5.328 -9.078 -5.450) 11.854 7.293 ( -5.328 -9.078 5.450) 11.854 7.567 ( -1.197 0.901 -1.524) 2.137 7.567 ( 1.197 0.901 1.524) 2.137 7.971 ( 0.455 3.631 -2.899) 4.668 7.971 ( -0.455 3.631 2.899) 4.668 8.558 ( -4.410 1.533 -4.250) 6.314 8.558 ( 4.410 1.533 4.250) 6.314 8.734 ( -5.512 0.428 1.309) 5.681 8.734 ( 5.512 0.428 -1.309) 5.681 9.261 ( 1.801 -2.663 -7.185) 7.871 9.261 ( -1.801 -2.663 7.185) 7.872 9.480 ( 1.716 0.278 -10.822) 10.960 9.480 ( -1.716 0.278 10.822) 10.960 10.135 ( -4.905 -0.642 -10.224) 11.358 10.135 ( 4.905 -0.642 10.224) 11.358 10.693 ( -9.733 -5.085 -11.422) 15.845 10.693 ( 9.733 -5.085 11.422) 15.845 12.094 ( -7.458 4.330 -12.759) 15.400 12.094 ( 7.458 4.330 12.759) 15.400 12.321 ( -6.875 2.799 -6.098) 9.607 12.321 ( 6.875 2.799 6.098) 9.607 12.702 ( -10.378 -6.849 -3.690) 12.970 12.702 ( 10.378 -6.849 3.690) 12.970 13.030 ( -1.441 -2.571 -9.363) 9.816 13.030 ( 1.441 -2.571 9.363) 9.816 13.189 ( -6.422 0.912 -8.057) 10.343 13.189 ( 6.422 0.912 8.057) 10.343 13.927 ( -10.626 4.074 -1.376) 11.463 13.927 ( 10.626 4.074 1.376) 11.463 17.277 ( 0.898 -0.516 -0.791) 1.303 17.277 ( -0.898 -0.516 0.791) 1.303 17.742 ( -1.182 -3.374 -1.351) 3.822 17.742 ( 1.182 -3.374 1.351) 3.822 17.954 ( -0.649 6.020 -3.178) 6.838 17.954 ( 0.649 6.020 3.178) 6.838 18.493 ( 1.035 4.295 -6.804) 8.112 18.493 ( -1.035 4.295 6.804) 8.112 18.618 ( -0.229 -5.791 -9.604) 11.217 18.618 ( 0.229 -5.791 9.604) 11.217 18.941 ( -4.153 -2.949 -6.950) 8.617 18.941 ( 4.153 -2.949 6.950) 8.617 19.171 ( -2.680 -1.478 -8.356) 8.899 19.171 ( 2.680 -1.478 8.356) 8.899 19.249 ( -3.780 0.590 -2.480) 4.559 19.249 ( 3.780 0.590 2.480) 4.559 19.584 ( 1.941 4.358 -8.991) 10.178 19.584 ( -1.941 4.358 8.991) 10.178 19.764 ( 4.253 1.500 -2.680) 5.246 19.764 ( -4.253 1.500 2.680) 5.246 19.964 ( 0.871 -4.578 -4.861) 6.734 19.964 ( -0.871 -4.578 4.861) 6.734 20.228 ( 0.872 2.299 -2.526) 3.525 20.228 ( -0.872 2.299 2.526) 3.525 23.275 ( 2.172 0.715 -6.227) 6.633 23.275 ( -2.172 0.715 6.227) 6.633 23.416 ( 0.130 -2.731 -2.594) 3.769 23.416 ( -0.130 -2.731 2.594) 3.769 23.996 ( -1.037 4.982 -1.716) 5.370 23.996 ( 1.037 4.982 1.716) 5.370 24.297 ( 1.125 -2.561 -2.703) 3.890 24.297 ( -1.125 -2.561 2.703) 3.890 24.477 ( 0.875 4.678 -1.629) 5.030 24.477 ( -0.875 4.678 1.629) 5.030 25.013 ( 1.516 -1.335 -3.459) 4.005 25.013 ( -1.516 -1.335 3.459) 4.005 25.165 ( 1.887 -0.216 -3.032) 3.578 25.165 ( -1.887 -0.216 3.032) 3.578 25.593 ( 2.046 -3.932 -4.909) 6.614 25.593 ( -2.046 -3.932 4.909) 6.614 25.960 ( -0.120 -4.829 -2.771) 5.569 25.960 ( 0.120 -4.829 2.771) 5.569 26.489 ( -8.185 6.935 -4.261) 11.543 26.489 ( 8.185 6.935 4.261) 11.543 26.859 ( 4.662 -0.562 -7.416) 8.777 26.859 ( -4.662 -0.562 7.416) 8.777 27.562 ( 1.382 -0.504 -7.505) 7.647 27.562 ( -1.382 -0.504 7.505) 7.647 34.277 ( -12.078 -0.091 -2.614) 12.358 34.277 ( 12.078 -0.091 2.614) 12.358 34.373 ( -6.885 -1.752 -4.213) 8.260 34.373 ( 6.885 -1.752 4.213) 8.260 35.065 ( -3.079 -1.447 -5.007) 6.054 35.065 ( 3.079 -1.447 5.007) 6.054 35.234 ( 1.907 1.054 -10.732) 10.950 35.234 ( -1.907 1.054 10.732) 10.950 35.332 ( -14.182 4.756 -5.488) 15.933 35.332 ( 14.182 4.756 5.488) 15.933 35.622 ( -13.560 -2.308 1.830) 13.876 35.622 ( 13.560 -2.308 -1.830) 13.876 38.200 ( -8.487 1.158 -3.230) 9.155 38.200 ( 8.487 1.158 3.230) 9.155 38.547 ( -7.337 -1.065 -10.692) 13.011 38.547 ( 7.337 -1.065 10.692) 13.011 38.882 ( -1.269 -0.523 -4.223) 4.440 38.882 ( 1.269 -0.523 4.223) 4.440 39.094 ( 1.183 -0.827 -6.493) 6.651 39.094 ( -1.183 -0.827 6.493) 6.651 39.883 ( -2.699 1.834 -5.354) 6.269 39.883 ( 2.699 1.834 5.354) 6.269 40.427 ( -0.571 -0.904 -3.683) 3.834 40.427 ( 0.571 -0.904 3.683) 3.834 76.958 ( -4.659 -3.768 -3.202) 6.794 76.958 ( 4.659 -3.768 3.202) 6.794 77.565 ( -12.319 -1.119 -14.353) 18.948 77.565 ( 12.319 -1.119 14.353) 18.948 79.098 ( -4.152 -6.172 -13.849) 15.721 79.098 ( 4.152 -6.172 13.849) 15.721 79.861 ( 2.055 -0.121 -24.548) 24.634 79.861 ( -2.055 -0.121 24.548) 24.634 80.788 ( -8.758 8.327 -4.604) 12.932 80.788 ( 8.758 8.327 4.604) 12.932 81.419 ( -1.563 -2.025 -26.923) 27.045 81.419 ( 1.563 -2.025 26.923) 27.045 82.411 ( -8.438 -8.234 -14.195) 18.452 82.411 ( 8.438 -8.234 14.195) 18.452 82.793 ( -5.573 7.245 -1.795) 9.316 82.793 ( 5.573 7.245 1.795) 9.316 83.705 ( -16.681 6.903 -14.966) 23.449 83.705 ( 16.681 6.903 14.966) 23.449 84.510 ( -5.362 13.912 -6.740) 16.362 84.510 ( 5.362 13.912 6.740) 16.362 86.676 ( -21.241 -13.948 -34.893) 43.165 86.676 ( 21.241 -13.948 34.893) 43.165 88.970 ( -5.088 -2.908 -15.185) 16.277 88.970 ( 5.088 -2.908 15.185) 16.277 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -4.433 14.994 -19.692) 25.144 1.760 ( 4.433 14.994 19.692) 25.144 2.042 ( -2.606 -9.502 -18.933) 21.344 2.042 ( 2.606 -9.502 18.933) 21.344 2.156 ( -0.444 12.020 -1.763) 12.157 2.156 ( 0.444 12.020 1.763) 12.157 2.569 ( 3.454 -9.014 -2.570) 9.990 2.569 ( -3.454 -9.014 2.570) 9.990 2.987 ( -7.417 4.503 -12.179) 14.954 2.987 ( 7.417 4.503 12.179) 14.954 3.081 ( -9.002 -2.003 -18.632) 20.790 3.081 ( 9.002 -2.003 18.632) 20.790 3.399 ( -3.853 1.024 -5.482) 6.779 3.399 ( 3.853 1.024 5.482) 6.779 3.668 ( -1.366 0.153 -0.533) 1.475 3.668 ( 1.366 0.153 0.533) 1.475 4.849 ( -0.037 9.288 -8.747) 12.759 4.849 ( 0.037 9.288 8.747) 12.759 5.255 ( -3.074 -10.244 -8.050) 13.386 5.255 ( 3.074 -10.244 8.050) 13.386 5.416 ( -4.329 3.144 -2.241) 5.801 5.416 ( 4.329 3.144 2.241) 5.801 5.634 ( 0.367 -2.548 -3.481) 4.330 5.634 ( -0.367 -2.548 3.481) 4.330 5.981 ( 3.792 0.084 -3.305) 5.031 5.981 ( -3.792 0.084 3.305) 5.031 6.140 ( -0.557 -1.489 -2.466) 2.934 6.140 ( 0.557 -1.489 2.466) 2.934 6.984 ( -1.047 4.204 -2.361) 4.934 6.984 ( 1.047 4.204 2.361) 4.934 7.248 ( -3.245 0.471 -2.095) 3.891 7.248 ( 3.245 0.471 2.095) 3.891 7.580 ( 0.065 0.459 -1.562) 1.629 7.580 ( -0.065 0.459 1.562) 1.629 8.117 ( -0.768 -5.876 -1.283) 6.063 8.117 ( 0.768 -5.876 1.283) 6.063 8.640 ( -0.820 0.748 -2.576) 2.805 8.640 ( 0.820 0.748 2.576) 2.805 8.823 ( 0.322 -1.870 -7.245) 7.489 8.823 ( -0.322 -1.870 7.245) 7.489 9.282 ( -0.216 1.765 -6.077) 6.332 9.282 ( 0.216 1.765 6.077) 6.332 9.549 ( -7.974 -4.799 -4.454) 10.318 9.549 ( 7.974 -4.799 4.454) 10.318 9.948 ( 0.914 0.340 -2.601) 2.778 9.948 ( -0.914 0.340 2.601) 2.778 10.307 ( -5.148 2.002 1.095) 5.631 10.307 ( 5.148 2.002 -1.095) 5.631 11.706 ( -3.179 3.156 -5.009) 6.720 11.706 ( 3.179 3.156 5.009) 6.720 12.026 ( -2.879 -3.407 -5.941) 7.429 12.026 ( 2.879 -3.407 5.941) 7.429 12.835 ( 2.405 0.394 -5.385) 5.910 12.835 ( -2.405 0.394 5.385) 5.910 12.975 ( 2.373 -0.342 -6.949) 7.351 12.975 ( -2.373 -0.342 6.949) 7.351 13.925 ( 0.624 0.570 -5.059) 5.129 13.925 ( -0.624 0.570 5.059) 5.129 14.574 ( -1.686 0.750 -2.556) 3.153 14.574 ( 1.686 0.750 2.556) 3.153 17.589 ( -0.231 4.195 -4.121) 5.885 17.589 ( 0.231 4.195 4.121) 5.885 17.826 ( -1.994 -5.493 -4.294) 7.251 17.826 ( 1.994 -5.493 4.294) 7.251 18.025 ( -3.066 1.900 -1.309) 3.837 18.025 ( 3.066 1.900 1.309) 3.837 18.195 ( -7.125 -3.250 -2.741) 8.297 18.195 ( 7.125 -3.250 2.741) 8.297 18.513 ( -3.836 3.177 -3.788) 6.258 18.513 ( 3.836 3.177 3.788) 6.258 18.634 ( -2.708 -5.542 -3.794) 7.242 18.634 ( 2.708 -5.542 3.794) 7.242 19.193 ( 0.163 5.353 -3.712) 6.516 19.193 ( -0.163 5.353 3.712) 6.516 19.310 ( -0.299 -1.981 -3.078) 3.672 19.310 ( 0.299 -1.981 3.078) 3.672 19.551 ( 0.295 -0.700 -2.889) 2.987 19.551 ( -0.295 -0.700 2.889) 2.987 19.726 ( -0.543 1.728 -4.520) 4.870 19.726 ( 0.543 1.728 4.520) 4.870 19.825 ( -0.837 -0.110 -5.330) 5.397 19.825 ( 0.837 -0.110 5.330) 5.397 20.074 ( -0.691 -0.785 -1.734) 2.025 20.074 ( 0.691 -0.785 1.734) 2.025 23.354 ( 0.195 4.817 -6.533) 8.119 23.354 ( -0.195 4.817 6.533) 8.119 23.489 ( 1.002 -4.269 -6.111) 7.521 23.489 ( -1.002 -4.269 6.111) 7.521 23.979 ( -1.308 1.926 0.052) 2.328 23.979 ( 1.308 1.926 -0.052) 2.328 24.257 ( -0.612 2.905 -2.707) 4.018 24.257 ( 0.612 2.905 2.707) 4.018 24.503 ( -1.744 0.430 0.230) 1.811 24.503 ( 1.744 0.430 -0.230) 1.811 24.559 ( -3.006 -3.650 -1.583) 4.986 24.559 ( 3.006 -3.650 1.583) 4.986 25.227 ( -1.001 0.841 -0.187) 1.321 25.227 ( 1.001 0.841 0.187) 1.321 25.448 ( -0.004 -2.424 -0.442) 2.464 25.448 ( 0.004 -2.424 0.442) 2.464 26.096 ( -2.145 0.687 0.237) 2.265 26.096 ( 2.145 0.687 -0.237) 2.265 26.692 ( -0.193 0.415 -2.743) 2.781 26.692 ( 0.193 0.415 2.743) 2.781 27.126 ( -0.760 0.754 -0.805) 1.339 27.126 ( 0.760 0.754 0.805) 1.339 27.293 ( -1.497 -0.332 -2.701) 3.106 27.293 ( 1.497 -0.332 2.701) 3.106 33.993 ( -2.898 0.519 -3.741) 4.760 33.993 ( 2.898 0.519 3.741) 4.760 34.107 ( -1.713 -0.690 -2.525) 3.129 34.107 ( 1.713 -0.690 2.525) 3.129 35.020 ( 0.742 0.146 -5.391) 5.443 35.020 ( -0.742 0.146 5.391) 5.443 35.197 ( 1.277 -0.886 -6.054) 6.250 35.197 ( -1.277 -0.886 6.054) 6.250 36.194 ( -6.803 1.740 -4.749) 8.477 36.194 ( 6.803 1.740 4.749) 8.477 36.265 ( -7.500 -0.834 -5.764) 9.496 36.265 ( 7.500 -0.834 5.764) 9.496 38.443 ( -7.350 1.111 -5.843) 9.455 38.443 ( 7.350 1.111 5.843) 9.455 38.529 ( -9.399 -1.346 -5.308) 10.878 38.529 ( 9.399 -1.346 5.308) 10.878 39.038 ( -0.391 1.289 -4.467) 4.665 39.038 ( 0.391 1.289 4.467) 4.665 39.113 ( -3.344 -2.338 -3.306) 5.251 39.113 ( 3.344 -2.338 3.306) 5.251 39.557 ( -5.302 0.730 -3.161) 6.216 39.557 ( 5.302 0.730 3.161) 6.216 39.607 ( -6.161 0.625 -2.568) 6.704 39.607 ( 6.161 0.625 2.568) 6.704 77.525 ( -5.118 -0.502 -4.535) 6.857 77.525 ( 5.118 -0.502 4.535) 6.857 77.941 ( -4.686 -0.111 -3.678) 5.958 77.941 ( 4.686 -0.111 3.678) 5.958 78.927 ( -16.026 1.794 -6.825) 17.511 78.927 ( 16.026 1.794 6.825) 17.511 79.139 ( -12.908 -8.485 -6.848) 16.897 79.139 ( 12.908 -8.485 6.848) 16.897 80.702 ( -0.464 9.211 -20.570) 22.542 80.702 ( 0.464 9.211 20.570) 22.543 80.862 ( -5.361 -0.558 -13.820) 14.834 80.862 ( 5.361 -0.558 13.820) 14.834 81.907 ( -21.258 7.877 -18.530) 29.280 81.907 ( 21.258 7.877 18.530) 29.280 82.195 ( -16.098 -10.806 -19.017) 27.158 82.195 ( 16.098 -10.806 19.017) 27.158 83.682 ( -10.451 7.903 -13.509) 18.819 83.682 ( 10.451 7.903 13.509) 18.819 83.942 ( -10.261 -7.145 -16.304) 20.546 83.942 ( 10.261 -7.145 16.304) 20.546 88.381 ( 2.551 -2.432 -10.808) 11.368 88.381 ( -2.551 -2.432 10.808) 11.368 89.156 ( -6.795 -2.532 -0.463) 7.267 89.156 ( 6.795 -2.532 0.463) 7.267 ======================= Grid point 147 (75/78) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -7.211 13.719 -5.690) 16.510 1.805 ( -8.675 -9.118 -3.899) 13.176 1.972 ( -11.521 9.467 4.032) 15.447 2.047 ( 7.959 8.245 2.848) 11.809 2.253 ( 4.220 3.471 -0.629) 5.501 2.298 ( 6.096 -6.451 -1.872) 9.071 2.410 ( -9.486 0.068 -14.470) 17.302 2.513 ( -8.338 -7.144 -10.371) 15.104 2.683 ( -4.792 5.742 -22.380) 23.597 2.798 ( -0.948 -1.520 -13.470) 13.589 3.122 ( -3.649 7.538 1.959) 8.601 3.310 ( -0.119 -7.269 2.792) 7.788 3.415 ( 7.901 3.530 11.640) 14.504 3.519 ( 4.621 -4.895 12.664) 14.342 3.698 ( 3.167 2.672 5.827) 7.150 3.712 ( 1.892 1.326 3.511) 4.203 4.792 ( -6.938 7.451 -8.083) 12.999 4.877 ( -2.238 5.983 -2.570) 6.886 5.121 ( -6.902 -0.134 4.263) 8.114 5.249 ( -0.689 5.720 13.554) 14.727 5.376 ( 3.401 -11.933 3.231) 12.822 5.465 ( 1.604 -8.634 10.742) 13.875 5.683 ( 1.065 2.416 -3.219) 4.163 5.718 ( 5.035 -0.786 -1.791) 5.402 6.007 ( 5.689 5.265 0.361) 7.760 6.112 ( 6.054 -3.377 -1.539) 7.101 6.148 ( 4.590 -0.618 -2.308) 5.174 6.174 ( 2.389 -2.691 3.554) 5.058 6.924 ( -3.490 5.917 -2.098) 7.183 6.997 ( -0.877 -0.270 -1.892) 2.102 7.174 ( -3.611 4.632 2.115) 6.242 7.300 ( 0.234 -5.390 4.229) 6.855 7.596 ( 1.431 0.687 1.114) 1.939 7.599 ( 1.281 0.246 2.228) 2.582 8.069 ( -1.913 -0.794 -1.516) 2.567 8.148 ( 0.378 -6.612 -1.986) 6.914 8.573 ( -3.471 5.305 -1.239) 6.459 8.660 ( -0.035 -0.120 -0.364) 0.385 8.778 ( -2.239 -1.833 -5.539) 6.249 8.851 ( 1.773 -5.284 -2.799) 6.237 9.172 ( -4.023 2.791 -0.817) 4.964 9.316 ( -3.643 -8.683 -4.397) 10.392 9.473 ( 1.471 8.168 6.898) 10.792 9.663 ( -2.149 -8.664 9.216) 12.830 9.811 ( -4.536 3.833 -5.389) 8.019 9.913 ( 1.495 -5.008 -4.720) 7.042 10.452 ( 13.177 9.181 3.792) 16.502 10.609 ( 19.604 -4.227 1.359) 20.100 11.538 ( -9.036 7.110 -8.636) 14.380 11.691 ( -4.295 -5.837 -5.406) 9.041 12.016 ( 3.553 4.056 -0.854) 5.460 12.141 ( 6.317 -6.258 6.828) 11.211 12.825 ( -0.217 2.670 4.783) 5.482 12.881 ( 1.253 -2.382 -0.051) 2.692 12.950 ( -1.672 1.383 5.695) 6.095 12.986 ( 0.900 -1.857 -2.456) 3.208 13.815 ( -8.790 1.087 -8.573) 12.327 13.824 ( -10.017 0.336 0.082) 10.023 14.442 ( -9.775 4.448 -3.462) 11.284 14.522 ( -7.110 -2.738 1.156) 7.707 17.558 ( -2.531 2.399 -2.324) 4.191 17.589 ( -2.816 0.713 2.829) 4.055 17.771 ( -3.235 2.659 -0.474) 4.214 17.893 ( 2.392 1.704 0.537) 2.986 17.922 ( -5.890 -5.460 -1.007) 8.094 18.007 ( 0.927 -4.895 1.086) 5.099 18.160 ( 1.546 6.206 2.799) 6.981 18.317 ( 1.754 -7.829 4.363) 9.133 18.508 ( 5.508 2.023 -4.184) 7.207 18.593 ( 2.788 -4.036 -3.625) 6.099 18.644 ( 5.394 3.197 0.540) 6.293 18.737 ( 5.683 -4.477 0.714) 7.270 19.099 ( -4.953 7.454 -2.098) 9.192 19.211 ( 0.960 -0.615 -1.132) 1.606 19.341 ( 1.331 -2.265 3.621) 4.474 19.346 ( 0.359 -3.234 -0.451) 3.285 19.511 ( -3.335 3.483 0.662) 4.868 19.555 ( 2.508 0.294 0.728) 2.628 19.690 ( -1.635 0.957 -4.531) 4.911 19.724 ( 0.386 -1.613 -4.296) 4.605 19.854 ( 2.967 2.438 4.794) 6.142 19.887 ( 1.632 -0.031 7.248) 7.429 20.090 ( 2.931 0.831 -2.098) 3.699 20.122 ( 3.319 -2.125 0.054) 3.941 23.302 ( -2.139 4.665 -2.662) 5.781 23.372 ( -0.944 1.221 0.463) 1.611 23.449 ( -1.515 -1.356 -0.358) 2.065 23.507 ( -0.134 -3.918 -1.518) 4.203 23.967 ( -0.060 3.761 3.155) 4.909 24.021 ( 2.362 -0.814 3.493) 4.295 24.218 ( -1.785 4.233 -1.024) 4.707 24.283 ( 0.199 -0.286 0.554) 0.655 24.457 ( -1.653 2.046 2.271) 3.475 24.477 ( -0.543 0.443 0.548) 0.889 24.633 ( 7.789 0.079 -3.869) 8.698 24.697 ( 8.405 -5.863 -0.317) 10.252 25.208 ( -0.354 2.394 -1.474) 2.834 25.256 ( 1.678 -1.554 -2.116) 3.115 25.433 ( -2.233 -1.853 5.029) 5.806 25.441 ( -1.526 -2.599 5.933) 6.655 26.041 ( -2.706 4.151 -0.660) 4.999 26.139 ( 0.877 -4.471 -1.044) 4.674 26.642 ( -2.408 3.845 -2.666) 5.262 26.695 ( -0.481 -0.480 -1.459) 1.609 27.046 ( -4.588 1.296 -1.957) 5.154 27.078 ( -4.538 -1.506 -5.224) 7.082 27.342 ( 4.555 1.517 3.974) 6.232 27.377 ( 3.753 -1.456 7.072) 8.138 33.911 ( -1.044 2.649 -6.844) 7.413 33.979 ( -0.159 -3.474 -5.294) 6.334 34.215 ( 7.585 1.658 6.220) 9.948 34.248 ( 8.314 -1.332 7.996) 11.611 34.991 ( -1.597 0.691 -2.501) 3.046 35.005 ( -2.341 -0.539 6.027) 6.488 35.214 ( 1.458 -0.040 0.412) 1.515 35.228 ( 3.377 -1.169 -5.528) 6.582 35.894 ( -17.727 1.804 -3.588) 18.176 35.931 ( -17.781 -1.481 -3.929) 18.270 36.335 ( -1.183 3.399 4.975) 6.140 36.394 ( -0.980 -1.919 6.261) 6.621 38.178 ( -11.108 1.771 -6.425) 12.954 38.226 ( -10.232 -2.466 -4.865) 11.595 38.648 ( 3.474 4.021 9.540) 10.920 38.747 ( 5.022 -4.810 9.644) 11.889 38.981 ( -3.870 -0.266 -7.648) 8.575 38.992 ( -1.377 -1.021 -6.636) 6.854 39.145 ( 1.763 1.674 -1.232) 2.726 39.175 ( -0.873 -0.898 -2.074) 2.423 39.427 ( 0.741 4.063 0.633) 4.178 39.508 ( 5.997 -3.232 0.703) 6.848 39.839 ( 14.173 2.297 3.268) 14.726 39.879 ( 14.669 -1.319 1.995) 14.863 77.193 ( -15.399 2.368 -6.583) 16.914 77.264 ( -16.736 -4.171 -6.717) 18.509 78.148 ( -6.901 1.575 0.787) 7.122 78.178 ( 5.965 -0.980 8.616) 10.525 78.698 ( 11.092 4.657 6.756) 13.797 78.828 ( 0.843 -7.839 -2.557) 8.288 79.372 ( 11.054 2.084 7.810) 13.694 79.546 ( 12.856 -13.006 14.545) 23.367 80.369 ( -10.281 8.920 -6.903) 15.261 80.503 ( -8.465 -3.043 -2.715) 9.396 81.043 ( 15.928 11.458 -0.799) 19.637 81.192 ( 15.424 -1.209 -0.108) 15.472 81.595 ( -4.123 13.802 -15.076) 20.851 81.942 ( -1.274 -15.026 -14.964) 21.244 82.548 ( 32.031 6.414 15.873) 36.319 82.714 ( 26.943 -7.411 14.653) 31.552 83.363 ( -14.137 7.620 -16.334) 22.906 83.551 ( -15.276 -9.063 -16.876) 24.501 84.011 ( 10.933 10.332 12.049) 19.273 84.224 ( 10.826 -8.791 16.609) 21.688 88.080 ( -24.990 1.235 -21.619) 33.066 88.171 ( -15.139 -6.294 -30.547) 34.669 89.030 ( -8.079 7.492 17.268) 20.484 89.226 ( -2.294 -10.431 8.751) 13.807 ======================= Grid point 148 (76/78) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.648 7.122 -7.570) 10.414 1.570 ( -14.430 2.267 -20.321) 25.026 1.754 ( -7.911 -6.996 2.960) 10.968 1.843 ( -17.831 -8.954 -15.136) 25.044 2.170 ( -4.750 5.320 -12.346) 14.258 2.291 ( -5.305 -5.891 -5.506) 9.652 2.351 ( 4.989 7.157 1.111) 8.795 2.467 ( 2.946 -3.713 -0.406) 4.757 2.718 ( 7.806 8.013 -4.969) 12.241 2.815 ( 4.067 2.361 -5.755) 7.432 3.050 ( -3.106 6.338 1.067) 7.138 3.242 ( -5.263 -8.442 1.006) 9.999 3.540 ( 0.351 2.200 1.838) 2.888 3.577 ( -1.645 -0.790 1.813) 2.573 3.797 ( 5.251 2.647 9.931) 11.542 3.836 ( 6.934 -0.825 8.149) 10.731 4.517 ( -14.291 7.632 -3.068) 16.489 4.668 ( -14.889 -5.449 -1.702) 15.946 5.156 ( 6.596 11.906 4.587) 14.363 5.429 ( 4.454 2.494 9.769) 11.023 5.454 ( 9.358 -5.389 8.963) 14.034 5.622 ( 5.983 -6.908 10.285) 13.759 5.669 ( 0.695 1.397 -2.448) 2.903 5.729 ( -1.401 -2.761 -3.014) 4.321 6.120 ( 2.271 2.629 -0.846) 3.576 6.151 ( 1.152 0.070 -0.267) 1.185 6.245 ( 7.363 3.655 1.325) 8.327 6.350 ( 10.655 -5.391 -1.437) 12.027 6.834 ( -4.949 5.072 -1.759) 7.302 6.931 ( -4.481 -3.894 -3.566) 6.925 7.126 ( -2.430 4.160 2.486) 5.422 7.277 ( -3.770 -8.414 3.569) 9.886 7.615 ( -0.216 1.139 1.501) 1.896 7.639 ( 0.512 -1.177 3.356) 3.593 8.036 ( -0.425 3.180 -3.039) 4.419 8.108 ( -2.933 -2.898 -3.451) 5.377 8.525 ( -0.370 6.699 -0.841) 6.762 8.652 ( -0.320 -0.590 -1.319) 1.480 8.714 ( -2.078 -0.405 -2.020) 2.926 8.851 ( -1.173 -8.739 -3.528) 9.497 9.134 ( 1.419 4.193 -4.346) 6.203 9.247 ( -1.203 -4.988 -3.804) 6.387 9.489 ( -2.590 2.090 6.131) 6.976 9.567 ( -5.813 -2.803 4.553) 7.898 9.856 ( 6.462 2.874 3.833) 8.044 9.993 ( 5.853 -7.798 0.807) 9.784 10.660 ( 4.242 10.853 -4.284) 12.415 10.900 ( 4.563 -10.402 -7.494) 13.608 11.443 ( 7.916 10.414 -0.478) 13.089 11.639 ( 4.776 -8.066 -2.843) 9.796 12.136 ( 8.391 7.753 -0.321) 11.430 12.321 ( 9.546 -8.460 5.251) 13.794 12.797 ( -3.774 1.576 -4.272) 5.914 12.844 ( -3.657 -2.154 -9.697) 10.586 12.970 ( 0.168 2.068 16.322) 16.454 13.021 ( 0.323 -3.004 8.759) 9.265 13.545 ( -14.376 1.825 -8.882) 16.996 13.570 ( -13.567 -0.379 -4.778) 14.389 14.209 ( -11.493 7.358 -2.646) 13.901 14.339 ( -10.862 -4.525 0.889) 11.800 17.454 ( -6.747 0.178 -1.731) 6.968 17.473 ( -8.043 -1.241 -0.567) 8.158 17.719 ( -2.003 3.974 0.561) 4.486 17.789 ( -4.935 -1.459 -2.271) 5.625 17.975 ( 4.748 4.404 1.977) 6.771 18.129 ( 6.408 -7.465 6.827) 11.975 18.184 ( 0.993 5.633 -0.448) 5.738 18.343 ( 1.229 -6.830 -0.917) 7.000 18.611 ( 4.367 2.829 -0.021) 5.204 18.700 ( 6.553 -3.877 3.854) 8.534 18.722 ( 2.809 4.427 -3.362) 6.228 18.812 ( 1.392 -2.748 -1.430) 3.396 19.048 ( 1.350 3.798 -3.829) 5.559 19.182 ( -3.396 -7.310 -3.921) 8.963 19.343 ( 1.011 1.075 0.306) 1.507 19.376 ( -0.096 -1.687 1.999) 2.617 19.473 ( 0.759 6.541 -0.344) 6.594 19.596 ( -0.029 -3.984 -1.759) 4.355 19.685 ( 3.657 3.514 1.211) 5.214 19.752 ( 3.279 -2.212 -3.154) 5.059 19.907 ( -0.121 1.412 5.940) 6.107 19.921 ( -1.198 0.319 7.420) 7.522 20.161 ( 4.493 1.450 -1.716) 5.023 20.191 ( 3.613 -1.564 -0.820) 4.021 23.264 ( -0.620 3.356 -2.211) 4.066 23.337 ( -1.780 -2.217 -0.598) 2.906 23.419 ( -1.870 1.224 -0.093) 2.237 23.473 ( -2.527 -2.850 -1.301) 4.025 24.003 ( 2.306 4.967 3.658) 6.585 24.096 ( 3.443 -2.364 4.001) 5.784 24.183 ( -1.303 3.518 -0.358) 3.769 24.265 ( -1.495 -2.852 -0.522) 3.263 24.475 ( 2.046 4.112 2.018) 5.017 24.495 ( 1.787 2.220 1.765) 3.352 24.790 ( 9.273 0.736 -5.039) 10.579 24.857 ( 7.500 -5.055 -1.278) 9.135 25.191 ( -1.082 1.744 -1.509) 2.547 25.256 ( -1.758 -3.615 -2.196) 4.580 25.422 ( 0.349 -0.410 5.447) 5.473 25.448 ( 0.113 -2.619 7.034) 7.506 25.976 ( -3.794 3.556 -0.373) 5.213 26.091 ( -5.604 -6.665 0.096) 8.709 26.600 ( -1.061 7.267 -2.184) 7.662 26.693 ( 1.858 -0.331 -3.207) 3.721 26.925 ( -6.832 1.130 -3.636) 7.822 26.974 ( -3.758 -2.362 -3.238) 5.494 27.447 ( 4.111 0.740 4.154) 5.891 27.470 ( 2.838 -1.097 7.175) 7.793 33.928 ( 4.860 2.895 -4.098) 6.986 34.004 ( 4.530 -4.100 -3.122) 6.861 34.382 ( 6.779 2.298 2.833) 7.698 34.432 ( 6.353 -2.333 3.880) 7.801 34.974 ( 0.941 1.520 2.400) 2.993 35.000 ( -0.082 -0.781 8.451) 8.488 35.236 ( 0.895 1.287 -3.821) 4.131 35.275 ( 3.979 -1.812 -9.632) 10.578 35.524 ( -17.957 1.855 1.217) 18.094 35.563 ( -17.996 -1.818 2.018) 18.200 36.185 ( -14.518 3.650 0.490) 14.978 36.250 ( -14.149 -2.309 1.526) 14.417 38.040 ( -1.136 3.218 -0.832) 3.513 38.120 ( 0.014 -4.014 1.389) 4.247 38.678 ( -3.625 5.120 6.446) 8.995 38.793 ( -3.319 -5.029 5.677) 8.279 38.881 ( -2.494 0.592 -7.673) 8.090 38.921 ( -2.263 -2.900 -6.953) 7.866 39.101 ( -1.334 1.535 -4.576) 5.008 39.128 ( -2.058 -0.754 -2.410) 3.257 39.605 ( 11.825 5.553 3.520) 13.530 39.707 ( 10.709 -3.639 0.690) 11.332 40.120 ( 12.405 1.552 3.095) 12.879 40.156 ( 12.236 -1.649 0.956) 12.384 76.959 ( -7.162 0.276 -1.594) 7.342 76.996 ( -8.392 -3.166 -1.840) 9.156 77.827 ( -16.337 8.215 -4.416) 18.811 78.031 ( -14.385 -10.439 -3.795) 18.174 79.019 ( 6.247 4.081 -1.842) 7.686 79.118 ( 16.932 -3.322 0.602) 17.266 79.422 ( -1.997 4.633 7.903) 9.376 79.667 ( 2.193 -15.682 21.153) 26.423 80.392 ( 12.251 11.925 -4.963) 17.803 80.598 ( 11.558 -6.981 6.492) 14.982 81.327 ( 10.824 7.491 -4.252) 13.833 81.431 ( 5.268 -2.249 -9.411) 11.017 81.681 ( 19.931 18.788 2.288) 27.486 82.050 ( 15.062 -13.108 -0.407) 19.972 82.952 ( -8.593 9.576 -4.478) 13.623 83.153 ( -11.862 -5.805 -17.439) 21.875 83.218 ( 21.133 1.582 6.281) 22.103 83.329 ( 18.457 -8.359 9.517) 22.386 84.283 ( 12.922 11.209 9.635) 19.633 84.505 ( 12.654 -8.488 15.193) 21.517 87.334 ( -36.831 11.496 -35.857) 52.672 87.629 ( -26.113 -14.318 -38.502) 48.675 88.949 ( -7.319 7.481 20.204) 22.754 89.145 ( -7.987 -10.246 8.012) 15.263 ======================= Grid point 149 (77/78) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -11.810 1.466 -24.716) 27.432 1.291 ( -14.062 -8.486 -19.563) 25.543 1.627 ( 1.504 -2.269 4.328) 5.113 1.710 ( -2.347 -7.992 4.922) 9.675 2.084 ( 0.936 6.698 -8.145) 10.587 2.204 ( -2.571 -5.792 -1.806) 6.589 2.422 ( 1.818 2.300 1.359) 3.231 2.476 ( -1.227 -2.516 -1.665) 3.257 2.844 ( 4.518 6.649 -0.322) 8.045 2.883 ( 5.405 2.082 -6.255) 8.525 2.993 ( -3.436 4.042 -0.478) 5.327 3.123 ( -7.577 -6.263 3.940) 10.590 3.510 ( -1.484 3.278 -0.577) 3.644 3.531 ( -2.076 2.056 -1.252) 3.178 3.933 ( 4.660 3.051 6.208) 8.340 3.981 ( 4.660 -0.845 4.408) 6.470 4.297 ( -7.036 4.600 0.309) 8.412 4.391 ( -11.762 -3.911 0.834) 12.423 5.326 ( 7.999 10.654 4.671) 14.118 5.507 ( 2.640 -3.558 4.195) 6.102 5.583 ( -1.778 5.003 -2.872) 6.037 5.647 ( -3.241 -0.407 -3.750) 4.973 5.741 ( 9.129 1.455 11.117) 14.458 5.842 ( 7.612 -6.782 5.679) 11.670 6.115 ( -1.056 1.073 -1.569) 2.175 6.150 ( -1.032 -1.184 -0.410) 1.623 6.408 ( 7.670 6.673 -1.390) 10.261 6.530 ( 6.949 -2.661 0.883) 7.493 6.717 ( -5.759 1.576 -1.512) 6.160 6.816 ( -5.154 -6.406 -4.419) 9.335 7.098 ( -0.532 0.108 0.263) 0.604 7.197 ( -5.086 -8.315 3.324) 10.298 7.594 ( -1.681 1.460 0.076) 2.228 7.621 ( -2.694 -1.287 1.129) 3.192 8.031 ( 0.558 2.366 -2.380) 3.402 8.048 ( -1.549 0.784 -1.519) 2.307 8.552 ( 2.596 5.489 0.742) 6.117 8.639 ( -0.664 -2.212 -0.721) 2.419 8.696 ( 0.778 2.588 -1.502) 3.091 8.790 ( -3.564 -5.289 -0.458) 6.394 9.179 ( 4.095 1.869 -5.768) 7.316 9.233 ( 0.645 -2.468 -3.416) 4.263 9.457 ( -1.658 0.130 3.695) 4.052 9.500 ( -3.543 -2.184 6.017) 7.316 10.009 ( 6.365 2.681 6.972) 9.813 10.119 ( 5.191 -6.353 2.885) 8.697 10.592 ( -4.771 6.595 -7.607) 11.141 10.769 ( -8.699 -8.753 -12.188) 17.344 11.804 ( 21.569 5.643 6.428) 23.203 11.898 ( 19.225 -3.303 1.604) 19.573 12.328 ( 9.895 9.242 2.088) 13.699 12.523 ( 6.357 -6.304 3.048) 9.457 12.628 ( -10.488 0.831 -10.749) 15.041 12.703 ( -7.005 -7.344 0.014) 10.149 12.977 ( -8.287 1.436 2.234) 8.702 13.020 ( -0.802 -1.283 2.207) 2.676 13.268 ( -8.439 2.583 -2.733) 9.238 13.320 ( -9.256 -2.573 1.332) 9.698 14.024 ( -5.497 7.600 -0.803) 9.414 14.137 ( -9.080 -3.065 0.086) 9.584 17.319 ( -5.243 -0.107 -1.545) 5.467 17.327 ( -5.653 -0.840 -0.851) 5.778 17.688 ( -1.092 0.154 -0.035) 1.103 17.711 ( -2.446 -1.942 -1.059) 3.298 18.074 ( 3.427 8.794 4.588) 10.494 18.164 ( -0.268 9.122 -3.419) 9.745 18.294 ( 5.168 -10.679 7.383) 13.974 18.366 ( 1.927 -8.666 -3.248) 9.453 18.661 ( 0.223 6.738 0.234) 6.746 18.705 ( -1.428 5.041 -5.092) 7.306 18.812 ( 2.260 -3.390 4.180) 5.837 18.862 ( 3.098 -5.610 3.210) 7.167 19.087 ( 3.153 -0.132 -3.813) 4.949 19.117 ( 0.302 -2.511 -3.603) 4.402 19.313 ( -3.485 0.917 -2.707) 4.507 19.334 ( -4.229 -1.074 -0.735) 4.425 19.568 ( 7.754 4.963 -1.935) 9.408 19.641 ( 5.245 -0.329 0.231) 5.260 19.753 ( 1.178 2.312 3.087) 4.033 19.811 ( 3.057 -1.786 -1.762) 3.955 19.885 ( -4.421 -0.947 6.295) 7.750 19.896 ( -2.778 -1.416 3.632) 4.787 20.235 ( 3.169 1.460 -1.209) 3.693 20.249 ( 2.178 0.040 -0.193) 2.187 23.265 ( 1.341 2.046 -1.651) 2.951 23.314 ( -0.457 -1.668 0.220) 1.743 23.374 ( -2.369 0.369 -0.193) 2.406 23.410 ( -3.187 -2.288 -0.597) 3.969 24.068 ( 2.593 5.658 3.162) 6.981 24.135 ( -0.316 4.237 -1.231) 4.423 24.198 ( 1.871 -3.940 3.604) 5.658 24.239 ( -0.619 -3.287 -1.459) 3.649 24.531 ( 2.980 3.963 0.682) 5.005 24.549 ( 2.354 2.776 2.436) 4.380 24.937 ( 6.115 0.405 -4.120) 7.385 24.957 ( 3.040 -1.627 -1.652) 3.823 25.170 ( -0.261 -1.257 -0.204) 1.300 25.182 ( -3.513 -1.914 -0.919) 4.105 25.477 ( 1.817 -1.835 3.519) 4.365 25.486 ( 1.776 -1.908 2.624) 3.699 25.903 ( -2.999 0.228 0.569) 3.061 25.959 ( -6.528 -4.444 1.118) 7.976 26.582 ( 0.091 8.280 -0.352) 8.288 26.723 ( -1.306 -4.684 -3.072) 5.752 26.793 ( -1.613 6.124 -4.036) 7.510 26.900 ( -3.190 -3.532 -0.750) 4.818 27.523 ( 2.253 0.120 2.426) 3.313 27.533 ( 1.301 -0.696 4.591) 4.822 34.068 ( 9.913 2.257 -0.578) 10.183 34.131 ( 8.563 -3.470 0.174) 9.241 34.451 ( -1.097 0.120 -2.336) 2.583 34.463 ( -3.666 -0.974 -3.312) 5.036 35.047 ( 1.820 1.409 2.660) 3.518 35.075 ( 2.534 -0.877 7.364) 7.837 35.189 ( -2.879 3.207 3.345) 5.455 35.258 ( -3.033 -1.068 -0.962) 3.357 35.324 ( -4.708 0.343 4.004) 6.190 35.353 ( 4.378 -1.742 -4.702) 6.657 35.824 ( -19.659 4.380 -4.027) 20.540 35.910 ( -18.808 -3.312 -1.841) 19.186 38.101 ( 5.590 3.808 3.602) 7.664 38.192 ( 4.402 -4.442 4.903) 7.946 38.570 ( -6.504 4.774 -0.785) 8.106 38.669 ( -7.391 -4.155 -5.775) 10.258 38.852 ( 0.535 0.905 -0.824) 1.336 38.888 ( -0.815 -2.328 0.057) 2.467 39.079 ( 0.184 0.522 -3.326) 3.372 39.094 ( -0.930 -0.707 -0.942) 1.501 39.821 ( 7.926 3.567 2.979) 9.188 39.877 ( 5.902 -1.394 -0.891) 6.130 40.326 ( 7.122 0.401 2.504) 7.560 40.346 ( 6.677 -1.346 -0.333) 6.819 76.873 ( -1.819 -0.668 1.216) 2.287 76.907 ( -2.041 -4.163 1.301) 4.816 77.573 ( -7.360 7.261 -1.666) 10.472 77.739 ( -11.864 -8.164 -7.635) 16.300 78.995 ( -3.075 1.857 -1.096) 3.756 79.098 ( -6.426 -7.233 -9.294) 13.416 79.662 ( 13.332 6.792 10.846) 18.480 79.843 ( 4.760 -9.012 10.891) 14.916 80.686 ( 15.652 9.683 4.278) 18.896 80.855 ( 10.001 -5.166 13.664) 17.704 81.382 ( -1.186 4.631 -8.949) 10.146 81.443 ( 1.944 -1.140 -15.976) 16.134 82.122 ( 14.589 8.365 3.100) 17.100 82.320 ( 5.193 -8.431 -2.578) 10.232 82.817 ( 1.585 6.306 0.675) 6.537 82.919 ( -2.600 -2.199 1.130) 3.588 83.575 ( 13.045 6.874 8.886) 17.216 83.729 ( 13.343 -6.988 6.358) 16.349 84.587 ( 14.224 13.976 8.630) 21.729 84.820 ( 12.137 -4.137 10.898) 16.828 86.526 ( -28.116 12.431 -26.811) 40.791 86.921 ( -29.707 -20.647 -37.921) 52.410 88.896 ( -3.969 3.417 14.581) 15.493 89.009 ( -7.045 -6.678 2.729) 10.083 ======================= Grid point 150 (78/78) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 3.508 -6.145 -3.845) 8.053 1.040 ( -3.508 -6.145 3.845) 8.053 1.680 ( -1.493 -4.295 -1.094) 4.677 1.680 ( 1.493 -4.295 1.094) 4.677 2.141 ( 4.800 1.052 -3.532) 6.052 2.141 ( -4.800 1.052 3.532) 6.052 2.443 ( -0.017 -1.776 -3.286) 3.736 2.443 ( 0.017 -1.776 3.286) 3.736 2.911 ( -0.273 4.514 -6.371) 7.813 2.911 ( 0.273 4.514 6.371) 7.813 2.992 ( 5.715 -2.420 -6.336) 8.869 2.992 ( -5.715 -2.420 6.336) 8.869 3.503 ( -0.511 3.569 -0.552) 3.647 3.503 ( 0.511 3.569 0.552) 3.647 4.017 ( -1.872 2.514 -1.021) 3.296 4.017 ( 1.872 2.514 1.021) 3.296 4.247 ( -1.720 -0.703 -0.127) 1.862 4.247 ( 1.720 -0.703 0.127) 1.862 5.481 ( -4.944 6.197 -6.025) 9.957 5.481 ( 4.944 6.197 6.025) 9.957 5.580 ( -1.984 -0.507 -5.003) 5.405 5.580 ( 1.984 -0.507 5.003) 5.405 5.907 ( -2.842 0.377 -4.393) 5.246 5.907 ( 2.842 0.377 4.393) 5.246 6.115 ( -1.777 -1.726 -0.495) 2.526 6.115 ( 1.777 -1.726 0.495) 2.526 6.532 ( 0.993 6.689 -8.769) 11.073 6.532 ( -0.993 6.689 8.769) 11.073 6.709 ( -1.403 -7.933 -7.285) 10.862 6.709 ( 1.403 -7.933 7.285) 10.862 7.120 ( 2.334 -4.989 -2.334) 5.982 7.120 ( -2.334 -4.989 2.334) 5.982 7.581 ( -0.375 0.363 -0.515) 0.733 7.581 ( 0.375 0.363 0.515) 0.733 8.033 ( 0.239 1.583 -1.247) 2.029 8.033 ( -0.239 1.583 1.247) 2.029 8.609 ( -0.681 2.376 -2.981) 3.872 8.609 ( 0.681 2.376 2.981) 3.872 8.727 ( 2.818 -0.944 -1.785) 3.467 8.727 ( -2.818 -0.944 1.785) 3.467 9.225 ( 1.266 -0.532 -2.588) 2.929 9.225 ( -1.266 -0.532 2.588) 2.929 9.461 ( 1.286 -1.303 -5.109) 5.427 9.461 ( -1.286 -1.303 5.109) 5.427 10.139 ( -3.448 0.729 -5.130) 6.224 10.139 ( 3.448 0.729 5.130) 6.224 10.579 ( -5.130 -3.894 -5.768) 8.646 10.579 ( 5.130 -3.894 5.768) 8.646 12.201 ( -4.910 4.359 -7.663) 10.091 12.201 ( 4.910 4.359 7.663) 10.091 12.359 ( -1.583 -0.397 -5.112) 5.366 12.359 ( 1.583 -0.397 5.112) 5.366 12.611 ( -7.615 -0.630 0.383) 7.651 12.611 ( 7.615 -0.630 -0.383) 7.651 12.918 ( -4.595 -5.098 -9.811) 11.973 12.918 ( 4.595 -5.098 9.811) 11.973 13.222 ( 0.127 1.123 -4.319) 4.464 13.222 ( -0.127 1.123 4.319) 4.464 14.006 ( -3.307 2.346 -0.879) 4.149 14.006 ( 3.307 2.346 0.879) 4.149 17.265 ( 0.285 -0.442 -0.209) 0.566 17.265 ( -0.285 -0.442 0.209) 0.566 17.681 ( -0.094 -1.641 -0.799) 1.827 17.681 ( 0.094 -1.641 0.799) 1.827 18.135 ( -1.280 10.159 -4.582) 11.218 18.135 ( 1.280 10.159 4.582) 11.218 18.377 ( 0.009 -10.749 -5.882) 12.253 18.377 ( -0.009 -10.749 5.882) 12.253 18.661 ( -0.231 5.020 -2.989) 5.847 18.661 ( 0.231 5.020 2.989) 5.847 18.868 ( -1.222 -3.250 -4.660) 5.811 18.868 ( 1.222 -3.250 4.660) 5.811 19.142 ( -0.738 -0.906 -4.337) 4.491 19.142 ( 0.738 -0.906 4.337) 4.491 19.253 ( -1.148 -0.023 -0.531) 1.265 19.253 ( 1.148 -0.023 0.531) 1.265 19.698 ( 3.498 5.579 -6.487) 9.244 19.698 ( -3.498 5.579 6.487) 9.244 19.786 ( 4.053 -0.425 -2.545) 4.805 19.786 ( -4.053 -0.425 2.545) 4.805 19.858 ( 0.640 -4.183 -3.505) 5.495 19.858 ( -0.640 -4.183 3.505) 5.495 20.268 ( 0.379 1.055 -1.297) 1.714 20.268 ( -0.379 1.055 1.297) 1.714 23.297 ( 1.201 1.196 -4.828) 5.117 23.297 ( -1.201 1.196 4.828) 5.117 23.358 ( 0.561 -2.169 -3.566) 4.211 23.358 ( -0.561 -2.169 3.566) 4.211 24.114 ( -1.061 5.242 -2.433) 5.876 24.114 ( 1.061 5.242 2.433) 5.876 24.228 ( -0.040 -3.713 -2.724) 4.605 24.228 ( 0.040 -3.713 2.724) 4.605 24.576 ( 0.742 3.323 -0.769) 3.490 24.576 ( -0.742 3.323 0.769) 3.490 24.978 ( -0.164 -1.441 -0.781) 1.647 24.978 ( 0.164 -1.441 0.781) 1.647 25.163 ( 1.547 0.122 -1.916) 2.465 25.163 ( -1.547 0.122 1.916) 2.465 25.505 ( -0.342 -2.967 -1.382) 3.291 25.505 ( 0.342 -2.967 1.382) 3.291 25.883 ( 0.195 -1.874 -1.405) 2.350 25.883 ( -0.195 -1.874 1.405) 2.350 26.623 ( -3.473 4.272 -2.649) 6.109 26.623 ( 3.473 4.272 2.649) 6.109 26.836 ( 1.146 -1.285 -3.920) 4.281 26.836 ( -1.146 -1.285 3.920) 4.281 27.552 ( 0.599 -0.311 -2.945) 3.021 27.552 ( -0.599 -0.311 2.945) 3.021 34.276 ( -6.269 -0.039 -1.135) 6.371 34.276 ( 6.269 -0.039 1.135) 6.371 34.338 ( -4.451 -1.010 -1.679) 4.863 34.338 ( 4.451 -1.010 1.679) 4.863 35.039 ( -1.234 -0.694 -1.659) 2.181 35.039 ( 1.234 -0.694 1.659) 2.181 35.259 ( 0.232 0.812 -4.081) 4.168 35.259 ( -0.232 0.812 4.081) 4.168 35.445 ( -15.021 5.290 -3.064) 16.217 35.445 ( 15.021 5.290 3.064) 16.217 35.550 ( -14.184 -4.227 -0.392) 14.806 35.550 ( 14.184 -4.227 0.392) 14.806 38.225 ( -3.751 0.840 -1.767) 4.231 38.225 ( 3.751 0.840 1.767) 4.231 38.524 ( -3.262 -0.765 -4.853) 5.897 38.524 ( 3.262 -0.765 4.853) 5.897 38.870 ( 0.007 -0.414 -1.903) 1.948 38.870 ( -0.007 -0.414 1.903) 1.948 39.079 ( 0.546 -0.389 -2.375) 2.467 39.079 ( -0.546 -0.389 2.375) 2.467 39.920 ( -1.061 1.149 -2.100) 2.619 39.920 ( 1.061 1.149 2.100) 2.619 40.407 ( -0.236 -0.622 -1.558) 1.694 40.407 ( 0.236 -0.622 1.558) 1.694 76.878 ( -1.173 -2.522 -0.892) 2.921 76.878 ( 1.173 -2.522 0.892) 2.921 77.548 ( -4.141 -0.342 -4.913) 6.434 77.548 ( 4.141 -0.342 4.913) 6.434 78.984 ( -1.932 -3.184 -4.126) 5.558 78.984 ( 1.932 -3.184 4.126) 5.558 79.863 ( -0.185 0.163 -7.271) 7.276 79.863 ( 0.185 0.163 7.271) 7.276 80.951 ( -6.183 4.978 -3.851) 8.823 80.951 ( 6.183 4.978 3.851) 8.823 81.370 ( -1.750 -1.833 -13.191) 13.433 81.370 ( 1.750 -1.833 13.191) 13.433 82.261 ( -3.600 -4.175 -5.877) 8.058 82.261 ( 3.600 -4.175 5.877) 8.058 82.930 ( -0.347 3.930 -0.341) 3.960 82.930 ( 0.347 3.930 0.341) 3.960 83.812 ( -5.604 2.499 -5.112) 7.986 83.812 ( 5.604 2.499 5.112) 7.986 84.872 ( -8.346 14.307 -8.601) 18.663 84.872 ( 8.346 14.307 8.601) 18.663 86.333 ( -12.853 -13.200 -17.791) 25.611 86.333 ( 12.853 -13.200 17.791) 25.611 88.911 ( -1.897 -1.789 -5.778) 6.339 88.911 ( 1.897 -1.789 5.778) 6.339 =================== 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 3/37440 10.0 49.263 38.947 43.928 0.000 4.340 0.000 3/37440 20.0 15.897 13.358 18.416 0.000 7.004 0.000 3/37440 30.0 9.070 7.434 11.765 0.000 4.711 0.000 3/37440 40.0 6.349 5.052 8.676 0.000 3.449 0.000 3/37440 50.0 4.887 3.807 6.850 0.000 2.690 0.000 3/37440 60.0 3.979 3.057 5.649 0.000 2.191 0.000 3/37440 70.0 3.364 2.563 4.808 0.000 1.842 0.000 3/37440 80.0 2.923 2.214 4.191 0.000 1.586 0.000 3/37440 90.0 2.590 1.955 3.720 0.000 1.391 0.000 3/37440 100.0 2.332 1.754 3.351 0.000 1.238 0.000 3/37440 110.0 2.124 1.594 3.052 0.000 1.115 0.000 3/37440 120.0 1.953 1.462 2.805 0.000 1.015 0.000 3/37440 130.0 1.810 1.352 2.598 0.000 0.931 0.000 3/37440 140.0 1.688 1.258 2.421 0.000 0.860 0.000 3/37440 150.0 1.583 1.177 2.267 0.000 0.798 0.000 3/37440 160.0 1.491 1.107 2.132 0.000 0.745 0.000 3/37440 170.0 1.409 1.044 2.014 0.000 0.699 0.000 3/37440 180.0 1.337 0.989 1.907 0.000 0.658 0.000 3/37440 190.0 1.272 0.939 1.812 0.000 0.621 0.000 3/37440 200.0 1.213 0.894 1.726 0.000 0.589 0.000 3/37440 210.0 1.159 0.853 1.648 0.000 0.559 0.000 3/37440 220.0 1.111 0.816 1.576 0.000 0.532 0.000 3/37440 230.0 1.066 0.782 1.511 0.000 0.508 0.000 3/37440 240.0 1.025 0.751 1.451 0.000 0.486 0.000 3/37440 250.0 0.987 0.722 1.395 0.000 0.465 0.000 3/37440 260.0 0.952 0.695 1.344 0.000 0.446 0.000 3/37440 270.0 0.919 0.670 1.296 0.000 0.429 0.000 3/37440 280.0 0.888 0.647 1.251 0.000 0.413 0.000 3/37440 290.0 0.860 0.625 1.210 0.000 0.398 0.000 3/37440 300.0 0.833 0.605 1.171 0.000 0.384 0.000 3/37440 310.0 0.808 0.586 1.134 0.000 0.371 0.000 3/37440 320.0 0.785 0.568 1.100 0.000 0.359 0.000 3/37440 330.0 0.763 0.551 1.068 0.000 0.348 0.000 3/37440 340.0 0.742 0.536 1.038 0.000 0.337 0.000 3/37440 350.0 0.722 0.521 1.009 0.000 0.327 0.000 3/37440 360.0 0.703 0.506 0.982 0.000 0.318 0.000 3/37440 370.0 0.686 0.493 0.956 0.000 0.309 0.000 3/37440 380.0 0.669 0.480 0.932 0.000 0.300 0.000 3/37440 390.0 0.653 0.468 0.908 0.000 0.292 0.000 3/37440 400.0 0.638 0.457 0.886 0.000 0.285 0.000 3/37440 410.0 0.623 0.446 0.865 0.000 0.278 0.000 3/37440 420.0 0.609 0.435 0.845 0.000 0.271 0.000 3/37440 430.0 0.596 0.425 0.826 0.000 0.264 0.000 3/37440 440.0 0.583 0.416 0.808 0.000 0.258 0.000 3/37440 450.0 0.571 0.407 0.790 0.000 0.252 0.000 3/37440 460.0 0.560 0.398 0.774 0.000 0.247 0.000 3/37440 470.0 0.548 0.390 0.757 0.000 0.241 0.000 3/37440 480.0 0.538 0.382 0.742 0.000 0.236 0.000 3/37440 490.0 0.527 0.374 0.727 0.000 0.231 0.000 3/37440 500.0 0.517 0.367 0.713 0.000 0.226 0.000 3/37440 510.0 0.508 0.359 0.699 0.000 0.222 0.000 3/37440 520.0 0.499 0.353 0.686 0.000 0.217 0.000 3/37440 530.0 0.490 0.346 0.673 0.000 0.213 0.000 3/37440 540.0 0.481 0.340 0.661 0.000 0.209 0.000 3/37440 550.0 0.473 0.333 0.649 0.000 0.205 0.000 3/37440 560.0 0.465 0.328 0.638 0.000 0.201 0.000 3/37440 570.0 0.457 0.322 0.627 0.000 0.198 0.000 3/37440 580.0 0.449 0.316 0.616 0.000 0.194 0.000 3/37440 590.0 0.442 0.311 0.606 0.000 0.191 0.000 3/37440 600.0 0.435 0.306 0.596 0.000 0.188 0.000 3/37440 610.0 0.428 0.301 0.587 0.000 0.185 0.000 3/37440 620.0 0.422 0.296 0.577 0.000 0.181 0.000 3/37440 630.0 0.415 0.291 0.568 0.000 0.179 0.000 3/37440 640.0 0.409 0.287 0.559 0.000 0.176 0.000 3/37440 650.0 0.403 0.282 0.551 0.000 0.173 0.000 3/37440 660.0 0.397 0.278 0.543 0.000 0.170 0.000 3/37440 670.0 0.392 0.274 0.535 0.000 0.168 0.000 3/37440 680.0 0.386 0.270 0.527 0.000 0.165 0.000 3/37440 690.0 0.381 0.266 0.519 0.000 0.163 0.000 3/37440 700.0 0.375 0.262 0.512 0.000 0.160 0.000 3/37440 710.0 0.370 0.259 0.505 0.000 0.158 0.000 3/37440 720.0 0.365 0.255 0.498 0.000 0.156 0.000 3/37440 730.0 0.360 0.252 0.491 0.000 0.154 0.000 3/37440 740.0 0.356 0.248 0.485 0.000 0.151 0.000 3/37440 750.0 0.351 0.245 0.478 0.000 0.149 0.000 3/37440 760.0 0.347 0.242 0.472 0.000 0.147 0.000 3/37440 770.0 0.342 0.239 0.466 0.000 0.145 0.000 3/37440 780.0 0.338 0.235 0.460 0.000 0.144 0.000 3/37440 790.0 0.334 0.232 0.454 0.000 0.142 0.000 3/37440 800.0 0.330 0.230 0.449 0.000 0.140 0.000 3/37440 810.0 0.326 0.227 0.443 0.000 0.138 0.000 3/37440 820.0 0.322 0.224 0.438 0.000 0.136 0.000 3/37440 830.0 0.318 0.221 0.433 0.000 0.135 0.000 3/37440 840.0 0.315 0.219 0.428 0.000 0.133 0.000 3/37440 850.0 0.311 0.216 0.423 0.000 0.131 0.000 3/37440 860.0 0.308 0.214 0.418 0.000 0.130 0.000 3/37440 870.0 0.304 0.211 0.413 0.000 0.128 0.000 3/37440 880.0 0.301 0.209 0.408 0.000 0.127 0.000 3/37440 890.0 0.297 0.206 0.404 0.000 0.125 0.000 3/37440 900.0 0.294 0.204 0.399 0.000 0.124 0.000 3/37440 910.0 0.291 0.202 0.395 0.000 0.123 0.000 3/37440 920.0 0.288 0.200 0.391 0.000 0.121 0.000 3/37440 930.0 0.285 0.197 0.387 0.000 0.120 0.000 3/37440 940.0 0.282 0.195 0.382 0.000 0.119 0.000 3/37440 950.0 0.279 0.193 0.378 0.000 0.117 0.000 3/37440 960.0 0.276 0.191 0.375 0.000 0.116 0.000 3/37440 970.0 0.273 0.189 0.371 0.000 0.115 0.000 3/37440 980.0 0.271 0.187 0.367 0.000 0.114 0.000 3/37440 990.0 0.268 0.186 0.363 0.000 0.113 0.000 3/37440 1000.0 0.265 0.184 0.360 0.000 0.111 0.000 3/37440 Thermal conductivity related properties were written into "kappa-m856.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:42:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|