----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:09:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.357081935000000 -7.589963505000002 0.000000000000000 b 4.357081935000000 7.589963505000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.570949100000000 Atomic positions (fractional): *1 Be 0.88294498524041 0.77498906081905 0.99139596285923 9.012 2 Be 0.22501093918095 0.11705501475959 0.99139596285923 9.012 3 Be 0.11705501475959 0.22501093918095 0.49139596285923 9.012 4 Be 0.77498906081905 0.88294498524041 0.49139596285923 9.012 *5 Be 0.89373498436158 0.45144458809782 0.99694026278251 9.012 6 Be 0.54855541190218 0.10626501563842 0.99694026278251 9.012 7 Be 0.10626501563842 0.54855541190218 0.49694026278251 9.012 8 Be 0.45144458809782 0.89373498436158 0.49694026278251 9.012 *9 Si 0.21168852185325 0.43867158897768 0.99516697246108 28.085 10 Si 0.56132841102232 0.78831147814675 0.99516697246108 28.085 11 Si 0.78831147814675 0.56132841102232 0.49516697246108 28.085 12 Si 0.43867158897768 0.21168852185325 0.49516697246108 28.085 *13 H 0.86256883640978 0.13743116359022 0.70173031509064 1.008 14 H 0.13743116359022 0.86256883640978 0.20173031509064 1.008 *15 H 0.80357712394475 0.19642287605525 0.21496497007691 1.008 16 H 0.19642287605525 0.80357712394475 0.71496497007691 1.008 *17 O 0.16746057156033 0.41605027858992 0.64471432274788 15.999 18 O 0.58394972141008 0.83253942843967 0.64471432274788 15.999 19 O 0.83253942843967 0.58394972141008 0.14471432274788 15.999 20 O 0.41605027858992 0.16746057156033 0.14471432274788 15.999 *21 O 0.16354870797683 0.24848949823897 0.14136616552955 15.999 22 O 0.75151050176103 0.83645129202317 0.14136616552955 15.999 23 O 0.83645129202317 0.75151050176103 0.64136616552955 15.999 24 O 0.24848949823897 0.16354870797683 0.64136616552955 15.999 *25 O 0.08483816105739 0.50454030733048 0.14709741052984 15.999 26 O 0.49545969266952 0.91516183894261 0.14709741052984 15.999 27 O 0.91516183894261 0.49545969266952 0.64709741052984 15.999 28 O 0.50454030733048 0.08483816105739 0.64709741052984 15.999 *29 O 0.58195839662609 0.41804160337391 0.55973714397588 15.999 30 O 0.41804160337391 0.58195839662609 0.05973714397588 15.999 *31 O 0.90701202297244 0.09298797702756 0.54513991311356 15.999 32 O 0.09298797702756 0.90701202297244 0.04513991311356 15.999 *33 O 0.75926878943478 0.24073121056522 0.05726541392286 15.999 34 O 0.24073121056522 0.75926878943478 0.55726541392286 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.714163870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.179927010000004 0.000000000000000 c 0.000000000000000 0.000000000000000 4.570949100000000 Atomic positions (fractional): *1 Be 0.32896702302973 0.44602203778932 0.99139596285923 9.012 > 1 2 Be 0.67103297697027 0.44602203778932 0.99139596285923 9.012 > 2 3 Be 0.17103297697027 0.05397796221068 0.49139596285923 9.012 > 3 4 Be 0.82896702302973 0.05397796221068 0.49139596285923 9.012 > 4 *5 Be 0.17258978622970 0.27885480186812 0.99694026278251 9.012 > 5 6 Be 0.82741021377030 0.27885480186812 0.99694026278251 9.012 > 6 7 Be 0.32741021377030 0.22114519813188 0.49694026278251 9.012 > 7 8 Be 0.67258978622970 0.22114519813188 0.49694026278251 9.012 > 8 9 Be 0.82896702302973 0.94602203778932 0.99139596285923 9.012 > 1 10 Be 0.17103297697027 0.94602203778932 0.99139596285923 9.012 > 2 11 Be 0.67103297697027 0.55397796221068 0.49139596285923 9.012 > 3 12 Be 0.32896702302973 0.55397796221068 0.49139596285923 9.012 > 4 13 Be 0.67258978622970 0.77885480186812 0.99694026278251 9.012 > 5 14 Be 0.32741021377030 0.77885480186812 0.99694026278251 9.012 > 6 15 Be 0.82741021377030 0.72114519813188 0.49694026278251 9.012 > 7 16 Be 0.17258978622970 0.72114519813188 0.49694026278251 9.012 > 8 *17 Si 0.32518005541547 0.11349153356222 0.99516697246108 28.085 > 9 18 Si 0.67481994458453 0.11349153356222 0.99516697246108 28.085 > 10 19 Si 0.17481994458453 0.38650846643778 0.49516697246108 28.085 > 11 20 Si 0.82518005541547 0.38650846643778 0.49516697246108 28.085 > 12 21 Si 0.82518005541547 0.61349153356222 0.99516697246108 28.085 > 9 22 Si 0.17481994458453 0.61349153356222 0.99516697246108 28.085 > 10 23 Si 0.67481994458453 0.88650846643778 0.49516697246108 28.085 > 11 24 Si 0.32518005541547 0.88650846643778 0.49516697246108 28.085 > 12 *25 H 0.00000000000000 0.13743116359022 0.70173031509064 1.008 > 13 26 H 0.50000000000000 0.36256883640978 0.20173031509064 1.008 > 14 *27 H 0.00000000000000 0.19642287605525 0.21496497007691 1.008 > 15 28 H 0.50000000000000 0.30357712394475 0.71496497007691 1.008 > 16 29 H 0.50000000000000 0.63743116359022 0.70173031509064 1.008 > 13 30 H 0.00000000000000 0.86256883640978 0.20173031509064 1.008 > 14 31 H 0.50000000000000 0.69642287605525 0.21496497007691 1.008 > 15 32 H 0.00000000000000 0.80357712394475 0.71496497007691 1.008 > 16 *33 O 0.29175542507512 0.12429485351480 0.64471432274788 15.999 > 17 34 O 0.70824457492487 0.12429485351480 0.64471432274788 15.999 > 18 35 O 0.20824457492487 0.37570514648520 0.14471432274788 15.999 > 19 36 O 0.79175542507513 0.37570514648520 0.14471432274788 15.999 > 20 *37 O 0.20601910310790 0.04247039513107 0.14136616552955 15.999 > 21 38 O 0.79398089689210 0.04247039513107 0.14136616552955 15.999 > 22 39 O 0.29398089689210 0.45752960486893 0.64136616552955 15.999 > 23 40 O 0.70601910310790 0.45752960486893 0.64136616552955 15.999 > 24 *41 O 0.29468923419394 0.20985107313654 0.14709741052984 15.999 > 25 42 O 0.70531076580606 0.20985107313654 0.14709741052984 15.999 > 26 43 O 0.20531076580606 0.29014892686346 0.64709741052984 15.999 > 27 44 O 0.79468923419394 0.29014892686346 0.64709741052984 15.999 > 28 *45 O 0.00000000000000 0.41804160337391 0.55973714397588 15.999 > 29 46 O 0.50000000000000 0.08195839662609 0.05973714397588 15.999 > 30 *47 O 0.00000000000000 0.09298797702756 0.54513991311356 15.999 > 31 48 O 0.50000000000000 0.40701202297244 0.04513991311356 15.999 > 32 *49 O 0.00000000000000 0.24073121056522 0.05726541392286 15.999 > 33 50 O 0.50000000000000 0.25926878943478 0.55726541392286 15.999 > 34 51 O 0.79175542507513 0.62429485351480 0.64471432274788 15.999 > 17 52 O 0.20824457492487 0.62429485351480 0.64471432274788 15.999 > 18 53 O 0.70824457492487 0.87570514648520 0.14471432274788 15.999 > 19 54 O 0.29175542507513 0.87570514648520 0.14471432274788 15.999 > 20 55 O 0.70601910310790 0.54247039513107 0.14136616552955 15.999 > 21 56 O 0.29398089689210 0.54247039513107 0.14136616552955 15.999 > 22 57 O 0.79398089689210 0.95752960486893 0.64136616552955 15.999 > 23 58 O 0.20601910310790 0.95752960486893 0.64136616552955 15.999 > 24 59 O 0.79468923419394 0.70985107313655 0.14709741052984 15.999 > 25 60 O 0.20531076580606 0.70985107313655 0.14709741052984 15.999 > 26 61 O 0.70531076580606 0.79014892686345 0.64709741052984 15.999 > 27 62 O 0.29468923419394 0.79014892686345 0.64709741052984 15.999 > 28 63 O 0.50000000000000 0.91804160337391 0.55973714397588 15.999 > 29 64 O 0.00000000000000 0.58195839662609 0.05973714397588 15.999 > 30 65 O 0.50000000000000 0.59298797702756 0.54513991311356 15.999 > 31 66 O 0.00000000000000 0.90701202297244 0.04513991311356 15.999 > 32 67 O 0.50000000000000 0.74073121056522 0.05726541392286 15.999 > 33 68 O 0.00000000000000 0.75926878943478 0.55726541392286 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.714163870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.179927010000004 0.000000000000000 c 0.000000000000000 0.000000000000000 9.141898200000000 Atomic positions (fractional): *1 Be 0.32896702302973 0.44602203778932 0.49569798142961 9.012 > 1 2 Be 0.32896702302973 0.44602203778932 0.99569798142961 9.012 > 1 3 Be 0.67103297697027 0.44602203778932 0.49569798142961 9.012 > 2 4 Be 0.67103297697027 0.44602203778932 0.99569798142961 9.012 > 2 5 Be 0.17103297697027 0.05397796221068 0.24569798142961 9.012 > 3 6 Be 0.17103297697027 0.05397796221068 0.74569798142961 9.012 > 3 7 Be 0.82896702302973 0.05397796221068 0.24569798142961 9.012 > 4 8 Be 0.82896702302973 0.05397796221068 0.74569798142961 9.012 > 4 *9 Be 0.17258978622970 0.27885480186812 0.49847013139125 9.012 > 5 10 Be 0.17258978622970 0.27885480186812 0.99847013139125 9.012 > 5 11 Be 0.82741021377030 0.27885480186812 0.49847013139125 9.012 > 6 12 Be 0.82741021377030 0.27885480186812 0.99847013139125 9.012 > 6 13 Be 0.32741021377030 0.22114519813188 0.24847013139125 9.012 > 7 14 Be 0.32741021377030 0.22114519813188 0.74847013139125 9.012 > 7 15 Be 0.67258978622970 0.22114519813188 0.24847013139125 9.012 > 8 16 Be 0.67258978622970 0.22114519813188 0.74847013139125 9.012 > 8 17 Be 0.82896702302973 0.94602203778932 0.49569798142961 9.012 > 1 18 Be 0.82896702302973 0.94602203778932 0.99569798142961 9.012 > 1 19 Be 0.17103297697027 0.94602203778932 0.49569798142961 9.012 > 2 20 Be 0.17103297697027 0.94602203778932 0.99569798142961 9.012 > 2 21 Be 0.67103297697027 0.55397796221068 0.24569798142961 9.012 > 3 22 Be 0.67103297697027 0.55397796221068 0.74569798142961 9.012 > 3 23 Be 0.32896702302973 0.55397796221068 0.24569798142961 9.012 > 4 24 Be 0.32896702302973 0.55397796221068 0.74569798142961 9.012 > 4 25 Be 0.67258978622970 0.77885480186812 0.49847013139125 9.012 > 5 26 Be 0.67258978622970 0.77885480186812 0.99847013139125 9.012 > 5 27 Be 0.32741021377030 0.77885480186812 0.49847013139125 9.012 > 6 28 Be 0.32741021377030 0.77885480186812 0.99847013139125 9.012 > 6 29 Be 0.82741021377030 0.72114519813188 0.24847013139125 9.012 > 7 30 Be 0.82741021377030 0.72114519813188 0.74847013139125 9.012 > 7 31 Be 0.17258978622970 0.72114519813188 0.24847013139125 9.012 > 8 32 Be 0.17258978622970 0.72114519813188 0.74847013139125 9.012 > 8 *33 Si 0.32518005541547 0.11349153356222 0.49758348623054 28.085 > 9 34 Si 0.32518005541547 0.11349153356222 0.99758348623054 28.085 > 9 35 Si 0.67481994458453 0.11349153356222 0.49758348623054 28.085 > 10 36 Si 0.67481994458453 0.11349153356222 0.99758348623054 28.085 > 10 37 Si 0.17481994458453 0.38650846643778 0.24758348623054 28.085 > 11 38 Si 0.17481994458453 0.38650846643778 0.74758348623054 28.085 > 11 39 Si 0.82518005541547 0.38650846643778 0.24758348623054 28.085 > 12 40 Si 0.82518005541547 0.38650846643778 0.74758348623054 28.085 > 12 41 Si 0.82518005541547 0.61349153356222 0.49758348623054 28.085 > 9 42 Si 0.82518005541547 0.61349153356222 0.99758348623054 28.085 > 9 43 Si 0.17481994458453 0.61349153356222 0.49758348623054 28.085 > 10 44 Si 0.17481994458453 0.61349153356222 0.99758348623054 28.085 > 10 45 Si 0.67481994458453 0.88650846643778 0.24758348623054 28.085 > 11 46 Si 0.67481994458453 0.88650846643778 0.74758348623054 28.085 > 11 47 Si 0.32518005541547 0.88650846643778 0.24758348623054 28.085 > 12 48 Si 0.32518005541547 0.88650846643778 0.74758348623054 28.085 > 12 *49 H 0.00000000000000 0.13743116359022 0.35086515754532 1.008 > 13 50 H 0.00000000000000 0.13743116359022 0.85086515754532 1.008 > 13 51 H 0.50000000000000 0.36256883640978 0.10086515754532 1.008 > 14 52 H 0.50000000000000 0.36256883640978 0.60086515754532 1.008 > 14 *53 H 0.00000000000000 0.19642287605525 0.10748248503845 1.008 > 15 54 H 0.00000000000000 0.19642287605525 0.60748248503845 1.008 > 15 55 H 0.50000000000000 0.30357712394475 0.35748248503845 1.008 > 16 56 H 0.50000000000000 0.30357712394475 0.85748248503845 1.008 > 16 57 H 0.50000000000000 0.63743116359022 0.35086515754532 1.008 > 13 58 H 0.50000000000000 0.63743116359022 0.85086515754532 1.008 > 13 59 H 0.00000000000000 0.86256883640978 0.10086515754532 1.008 > 14 60 H 0.00000000000000 0.86256883640978 0.60086515754532 1.008 > 14 61 H 0.50000000000000 0.69642287605525 0.10748248503845 1.008 > 15 62 H 0.50000000000000 0.69642287605525 0.60748248503845 1.008 > 15 63 H 0.00000000000000 0.80357712394475 0.35748248503845 1.008 > 16 64 H 0.00000000000000 0.80357712394475 0.85748248503845 1.008 > 16 *65 O 0.29175542507512 0.12429485351480 0.32235716137394 15.999 > 17 66 O 0.29175542507512 0.12429485351480 0.82235716137394 15.999 > 17 67 O 0.70824457492487 0.12429485351480 0.32235716137394 15.999 > 18 68 O 0.70824457492487 0.12429485351480 0.82235716137394 15.999 > 18 69 O 0.20824457492487 0.37570514648520 0.07235716137394 15.999 > 19 70 O 0.20824457492487 0.37570514648520 0.57235716137394 15.999 > 19 71 O 0.79175542507513 0.37570514648520 0.07235716137394 15.999 > 20 72 O 0.79175542507513 0.37570514648520 0.57235716137394 15.999 > 20 *73 O 0.20601910310790 0.04247039513107 0.07068308276477 15.999 > 21 74 O 0.20601910310790 0.04247039513107 0.57068308276477 15.999 > 21 75 O 0.79398089689210 0.04247039513107 0.07068308276477 15.999 > 22 76 O 0.79398089689210 0.04247039513107 0.57068308276477 15.999 > 22 77 O 0.29398089689210 0.45752960486893 0.32068308276477 15.999 > 23 78 O 0.29398089689210 0.45752960486893 0.82068308276477 15.999 > 23 79 O 0.70601910310790 0.45752960486893 0.32068308276477 15.999 > 24 80 O 0.70601910310790 0.45752960486893 0.82068308276477 15.999 > 24 *81 O 0.29468923419394 0.20985107313654 0.07354870526492 15.999 > 25 82 O 0.29468923419394 0.20985107313654 0.57354870526492 15.999 > 25 83 O 0.70531076580606 0.20985107313654 0.07354870526492 15.999 > 26 84 O 0.70531076580606 0.20985107313654 0.57354870526492 15.999 > 26 85 O 0.20531076580606 0.29014892686346 0.32354870526492 15.999 > 27 86 O 0.20531076580606 0.29014892686346 0.82354870526492 15.999 > 27 87 O 0.79468923419394 0.29014892686346 0.32354870526492 15.999 > 28 88 O 0.79468923419394 0.29014892686346 0.82354870526492 15.999 > 28 *89 O 0.00000000000000 0.41804160337391 0.27986857198794 15.999 > 29 90 O 0.00000000000000 0.41804160337391 0.77986857198794 15.999 > 29 91 O 0.50000000000000 0.08195839662609 0.02986857198794 15.999 > 30 92 O 0.50000000000000 0.08195839662609 0.52986857198794 15.999 > 30 *93 O 0.00000000000000 0.09298797702756 0.27256995655678 15.999 > 31 94 O 0.00000000000000 0.09298797702756 0.77256995655678 15.999 > 31 95 O 0.50000000000000 0.40701202297244 0.02256995655678 15.999 > 32 96 O 0.50000000000000 0.40701202297244 0.52256995655678 15.999 > 32 *97 O 0.00000000000000 0.24073121056522 0.02863270696143 15.999 > 33 98 O 0.00000000000000 0.24073121056522 0.52863270696143 15.999 > 33 99 O 0.50000000000000 0.25926878943478 0.27863270696143 15.999 > 34 100 O 0.50000000000000 0.25926878943478 0.77863270696143 15.999 > 34 101 O 0.79175542507513 0.62429485351480 0.32235716137394 15.999 > 17 102 O 0.79175542507513 0.62429485351480 0.82235716137394 15.999 > 17 103 O 0.20824457492487 0.62429485351480 0.32235716137394 15.999 > 18 104 O 0.20824457492487 0.62429485351480 0.82235716137394 15.999 > 18 105 O 0.70824457492487 0.87570514648520 0.07235716137394 15.999 > 19 106 O 0.70824457492487 0.87570514648520 0.57235716137394 15.999 > 19 107 O 0.29175542507513 0.87570514648520 0.07235716137394 15.999 > 20 108 O 0.29175542507513 0.87570514648520 0.57235716137394 15.999 > 20 109 O 0.70601910310790 0.54247039513107 0.07068308276477 15.999 > 21 110 O 0.70601910310790 0.54247039513107 0.57068308276477 15.999 > 21 111 O 0.29398089689210 0.54247039513107 0.07068308276477 15.999 > 22 112 O 0.29398089689210 0.54247039513107 0.57068308276477 15.999 > 22 113 O 0.79398089689210 0.95752960486893 0.32068308276477 15.999 > 23 114 O 0.79398089689210 0.95752960486893 0.82068308276477 15.999 > 23 115 O 0.20601910310790 0.95752960486893 0.32068308276477 15.999 > 24 116 O 0.20601910310790 0.95752960486893 0.82068308276477 15.999 > 24 117 O 0.79468923419394 0.70985107313655 0.07354870526492 15.999 > 25 118 O 0.79468923419394 0.70985107313655 0.57354870526492 15.999 > 25 119 O 0.20531076580606 0.70985107313655 0.07354870526492 15.999 > 26 120 O 0.20531076580606 0.70985107313655 0.57354870526492 15.999 > 26 121 O 0.70531076580606 0.79014892686345 0.32354870526492 15.999 > 27 122 O 0.70531076580606 0.79014892686345 0.82354870526492 15.999 > 27 123 O 0.29468923419394 0.79014892686345 0.32354870526492 15.999 > 28 124 O 0.29468923419394 0.79014892686345 0.82354870526492 15.999 > 28 125 O 0.50000000000000 0.91804160337391 0.27986857198794 15.999 > 29 126 O 0.50000000000000 0.91804160337391 0.77986857198794 15.999 > 29 127 O 0.00000000000000 0.58195839662609 0.02986857198794 15.999 > 30 128 O 0.00000000000000 0.58195839662609 0.52986857198794 15.999 > 30 129 O 0.50000000000000 0.59298797702756 0.27256995655678 15.999 > 31 130 O 0.50000000000000 0.59298797702756 0.77256995655678 15.999 > 31 131 O 0.00000000000000 0.90701202297244 0.02256995655678 15.999 > 32 132 O 0.00000000000000 0.90701202297244 0.52256995655678 15.999 > 32 133 O 0.50000000000000 0.74073121056522 0.02863270696143 15.999 > 33 134 O 0.50000000000000 0.74073121056522 0.52863270696143 15.999 > 33 135 O 0.00000000000000 0.75926878943478 0.27863270696143 15.999 > 34 136 O 0.00000000000000 0.75926878943478 0.77863270696143 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6758004 0.0000000 0.0000000 0.0000000 2.7387344 0.0000000 0.0000000 0.0000000 2.7782364 -------------------------- Born effective charges -------------------------- 1 Be 1.7860512 -0.1693272 0.0378063 -0.0683273 1.9354530 0.0387123 -0.0662552 -0.1435695 1.8942298 2 Be 1.7860512 0.1693272 -0.0378063 0.0683273 1.9354530 0.0387123 0.0662552 -0.1435695 1.8942298 3 Be 1.7860512 -0.1693272 -0.0378063 -0.0683273 1.9354530 -0.0387123 0.0662552 0.1435695 1.8942298 4 Be 1.7860512 0.1693272 0.0378063 0.0683273 1.9354530 -0.0387123 -0.0662552 0.1435695 1.8942298 5 Be 1.7357589 0.0089008 0.0095740 0.0088976 1.8525875 -0.1627177 -0.0077238 0.0752145 1.8876572 6 Be 1.7357589 -0.0089008 -0.0095740 -0.0088976 1.8525875 -0.1627177 0.0077238 0.0752145 1.8876572 7 Be 1.7357589 0.0089008 -0.0095740 0.0088976 1.8525875 0.1627177 0.0077238 -0.0752145 1.8876572 8 Be 1.7357589 -0.0089008 0.0095740 -0.0088976 1.8525875 0.1627177 -0.0077238 -0.0752145 1.8876572 9 Si 3.2232139 -0.1625425 0.0767588 0.2297904 3.0586318 -0.0421743 -0.0651086 0.0214938 3.1832691 10 Si 3.2232139 0.1625425 -0.0767588 -0.2297904 3.0586318 -0.0421743 0.0651086 0.0214938 3.1832691 11 Si 3.2232139 -0.1625425 -0.0767588 0.2297904 3.0586318 0.0421743 0.0651086 -0.0214938 3.1832691 12 Si 3.2232139 0.1625425 0.0767588 -0.2297904 3.0586318 0.0421743 -0.0651086 -0.0214938 3.1832691 13 H 0.4581360 0.0000000 0.0000000 0.0000000 0.5325111 0.1247911 0.0000000 0.1414802 0.5040886 14 H 0.4581360 0.0000000 0.0000000 0.0000000 0.5325111 -0.1247911 0.0000000 -0.1414802 0.5040886 15 H 0.4486357 0.0000000 0.0000000 0.0000000 0.5725001 -0.1432330 0.0000000 -0.1754523 0.5196823 16 H 0.4486357 0.0000000 0.0000000 0.0000000 0.5725001 0.1432330 0.0000000 0.1754523 0.5196823 17 O -1.3015735 -0.2115827 -0.2622833 -0.3222321 -1.7387774 0.0994909 -0.1965353 0.1165154 -2.0680599 18 O -1.3015735 0.2115827 0.2622833 0.3222321 -1.7387774 0.0994909 0.1965353 0.1165154 -2.0680599 19 O -1.3015735 -0.2115827 0.2622833 -0.3222321 -1.7387774 -0.0994909 0.1965353 -0.1165154 -2.0680599 20 O -1.3015735 0.2115827 -0.2622833 0.3222321 -1.7387774 -0.0994909 -0.1965353 -0.1165154 -2.0680599 21 O -1.3183609 -0.3419459 0.2433864 -0.4165338 -1.9687406 0.0241089 0.1875847 -0.0031372 -1.8713433 22 O -1.3183609 0.3419459 -0.2433864 0.4165338 -1.9687406 0.0241089 -0.1875847 -0.0031372 -1.8713433 23 O -1.3183609 -0.3419459 -0.2433864 -0.4165338 -1.9687406 -0.0241089 -0.1875847 0.0031372 -1.8713433 24 O -1.3183609 0.3419459 0.2433864 0.4165338 -1.9687406 -0.0241089 0.1875847 0.0031372 -1.8713433 25 O -1.3379536 0.3646954 -0.1332769 0.3010835 -1.8805208 -0.2019846 -0.0972424 -0.2117463 -1.8664146 26 O -1.3379536 -0.3646954 0.1332769 -0.3010835 -1.8805208 -0.2019846 0.0972424 -0.2117463 -1.8664146 27 O -1.3379536 0.3646954 0.1332769 0.3010835 -1.8805208 0.2019846 0.0972424 0.2117463 -1.8664146 28 O -1.3379536 -0.3646954 -0.1332769 -0.3010835 -1.8805208 0.2019846 -0.0972424 0.2117463 -1.8664146 29 O -2.7983819 0.0000000 0.0000000 0.0000000 -1.1256508 -0.0600690 0.0000000 -0.0156881 -1.0960112 30 O -2.7983819 0.0000000 0.0000000 0.0000000 -1.1256508 0.0600690 0.0000000 0.0156881 -1.0960112 31 O -1.8667175 0.0000000 0.0000000 0.0000000 -1.2358227 0.0072068 0.0000000 -0.0267919 -1.1096210 32 O -1.8667175 0.0000000 0.0000000 0.0000000 -1.2358227 -0.0072068 0.0000000 0.0267919 -1.1096210 33 O -1.8159444 0.0000000 0.0000000 0.0000000 -1.2608045 0.0242778 0.0000000 -0.0160098 -1.1368152 34 O -1.8159444 0.0000000 0.0000000 0.0000000 -1.2608045 -0.0242778 0.0000000 0.0160098 -1.1368152 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 24690/24690 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5354 Number of blocks in projector: 5354 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: 1256 Use submatrix version of eigh solver. (1) Block: 500 / 1256 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1256 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1256 / 1256 (1) 244 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1056 / 1056 (2) Block: 250 / 556 (2) 242 eigenvectors found. (2) Block: 500 / 556 (2) 244 eigenvectors found. (2) Block: 556 / 556 (2) 44 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1056 / 1056 (2) Block: 250 / 556 (2) 242 eigenvectors found. (2) Block: 500 / 556 (2) 244 eigenvectors found. (2) Block: 556 / 556 (2) 49 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 546 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 662 / 662 (1) 154 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 662 / 662 (1) 154 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 662 / 662 (1) 154 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5354, 5275), data: False |-- (662, 651), data: False |-- (662, 8), data: (662, 19) @ (19, 8) |-- (162, 154), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (662, 651), data: False |-- (662, 8), data: (662, 19) @ (19, 8) |-- (162, 154), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (662, 651), data: False |-- (662, 8), data: (662, 19) @ (19, 8) |-- (162, 154), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (1056, 1044), data: False |-- (1056, 10), data: (1056, 22) @ (22, 10) |-- (556, 546), data: False |-- (556, 11), data: (556, 21) @ (21, 11) |-- (56, 49), data: True |-- (250, 244), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1056, 1044), data: False |-- (1056, 12), data: (1056, 24) @ (24, 12) |-- (556, 544), data: False |-- (556, 14), data: (556, 26) @ (26, 14) |-- (56, 44), data: True |-- (250, 244), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1256, 1234), data: False |-- (1256, 32), data: (1256, 54) @ (54, 32) |-- (256, 244), data: True |-- (500, 480), data: False |-- (500, 14), data: (500, 34) @ (34, 14) |-- (250, 236), data: True |-- (250, 230), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.724 Solver_block: 200 / 1040 - Time: 1.426 Solver_block: 300 / 1040 - Time: 1.432 Solver_block: 400 / 1040 - Time: 1.429 Solver_block: 500 / 1040 - Time: 1.447 Solver_block: 600 / 1040 - Time: 1.440 Solver_block: 700 / 1040 - Time: 1.438 Solver_block: 800 / 1040 - Time: 1.440 Solver_block: 900 / 1040 - Time: 1.454 Solver_block: 1000 / 1040 - Time: 1.440 Solver_block: 1040 / 1040 - Time: 0.689 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.768 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 24690/24690 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5354 Number of blocks in projector: 5354 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: 1256 Use submatrix version of eigh solver. (1) Block: 500 / 1256 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1256 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1256 / 1256 (1) 244 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1056 / 1056 (2) Block: 250 / 556 (2) 242 eigenvectors found. (2) Block: 500 / 556 (2) 244 eigenvectors found. (2) Block: 556 / 556 (2) 44 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1056 / 1056 (2) Block: 250 / 556 (2) 242 eigenvectors found. (2) Block: 500 / 556 (2) 244 eigenvectors found. (2) Block: 556 / 556 (2) 49 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 546 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 662 / 662 (1) 154 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 662 / 662 (1) 154 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 662 / 662 (1) 154 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5354, 5275), data: False |-- (662, 651), data: False |-- (662, 8), data: (662, 19) @ (19, 8) |-- (162, 154), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (662, 651), data: False |-- (662, 8), data: (662, 19) @ (19, 8) |-- (162, 154), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (662, 651), data: False |-- (662, 8), data: (662, 19) @ (19, 8) |-- (162, 154), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (1056, 1044), data: False |-- (1056, 10), data: (1056, 22) @ (22, 10) |-- (556, 546), data: False |-- (556, 11), data: (556, 21) @ (21, 11) |-- (56, 49), data: True |-- (250, 244), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1056, 1044), data: False |-- (1056, 12), data: (1056, 24) @ (24, 12) |-- (556, 544), data: False |-- (556, 14), data: (556, 26) @ (26, 14) |-- (56, 44), data: True |-- (250, 244), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1256, 1234), data: False |-- (1256, 32), data: (1256, 54) @ (54, 32) |-- (256, 244), data: True |-- (500, 480), data: False |-- (500, 14), data: (500, 34) @ (34, 14) |-- (250, 236), data: True |-- (250, 230), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:10:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:10:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.357081935000000 -7.589963505000002 0.000000000000000 b 4.357081935000000 7.589963505000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.570949100000000 Atomic positions (fractional): 1 Be 0.88294498524041 0.77498906081905 0.99139596285923 9.012 2 Be 0.22501093918095 0.11705501475959 0.99139596285923 9.012 3 Be 0.11705501475959 0.22501093918095 0.49139596285923 9.012 4 Be 0.77498906081905 0.88294498524041 0.49139596285923 9.012 5 Be 0.89373498436158 0.45144458809782 0.99694026278251 9.012 6 Be 0.54855541190218 0.10626501563842 0.99694026278251 9.012 7 Be 0.10626501563842 0.54855541190218 0.49694026278251 9.012 8 Be 0.45144458809782 0.89373498436158 0.49694026278251 9.012 9 Si 0.21168852185325 0.43867158897768 0.99516697246108 28.085 10 Si 0.56132841102232 0.78831147814675 0.99516697246108 28.085 11 Si 0.78831147814675 0.56132841102232 0.49516697246108 28.085 12 Si 0.43867158897768 0.21168852185325 0.49516697246108 28.085 13 H 0.86256883640978 0.13743116359022 0.70173031509064 1.008 14 H 0.13743116359022 0.86256883640978 0.20173031509064 1.008 15 H 0.80357712394475 0.19642287605525 0.21496497007691 1.008 16 H 0.19642287605525 0.80357712394475 0.71496497007691 1.008 17 O 0.16746057156033 0.41605027858992 0.64471432274788 15.999 18 O 0.58394972141008 0.83253942843967 0.64471432274788 15.999 19 O 0.83253942843967 0.58394972141008 0.14471432274788 15.999 20 O 0.41605027858992 0.16746057156033 0.14471432274788 15.999 21 O 0.16354870797683 0.24848949823897 0.14136616552955 15.999 22 O 0.75151050176103 0.83645129202317 0.14136616552955 15.999 23 O 0.83645129202317 0.75151050176103 0.64136616552955 15.999 24 O 0.24848949823897 0.16354870797683 0.64136616552955 15.999 25 O 0.08483816105739 0.50454030733048 0.14709741052984 15.999 26 O 0.49545969266952 0.91516183894261 0.14709741052984 15.999 27 O 0.91516183894261 0.49545969266952 0.64709741052984 15.999 28 O 0.50454030733048 0.08483816105739 0.64709741052984 15.999 29 O 0.58195839662609 0.41804160337391 0.55973714397588 15.999 30 O 0.41804160337391 0.58195839662609 0.05973714397588 15.999 31 O 0.90701202297244 0.09298797702756 0.54513991311356 15.999 32 O 0.09298797702756 0.90701202297244 0.04513991311356 15.999 33 O 0.75926878943478 0.24073121056522 0.05726541392286 15.999 34 O 0.24073121056522 0.75926878943478 0.55726541392286 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.714163870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.179927010000004 0.000000000000000 c 0.000000000000000 0.000000000000000 9.141898200000000 Atomic positions (fractional): 1 Be 0.32896702302973 0.44602203778932 0.49569798142961 9.012 > 1 2 Be 0.32896702302973 0.44602203778932 0.99569798142961 9.012 > 1 3 Be 0.67103297697027 0.44602203778932 0.49569798142961 9.012 > 3 4 Be 0.67103297697027 0.44602203778932 0.99569798142961 9.012 > 3 5 Be 0.17103297697027 0.05397796221068 0.24569798142961 9.012 > 5 6 Be 0.17103297697027 0.05397796221068 0.74569798142961 9.012 > 5 7 Be 0.82896702302973 0.05397796221068 0.24569798142961 9.012 > 7 8 Be 0.82896702302973 0.05397796221068 0.74569798142961 9.012 > 7 9 Be 0.17258978622970 0.27885480186812 0.49847013139125 9.012 > 9 10 Be 0.17258978622970 0.27885480186812 0.99847013139125 9.012 > 9 11 Be 0.82741021377030 0.27885480186812 0.49847013139125 9.012 > 11 12 Be 0.82741021377030 0.27885480186812 0.99847013139125 9.012 > 11 13 Be 0.32741021377030 0.22114519813188 0.24847013139125 9.012 > 13 14 Be 0.32741021377030 0.22114519813188 0.74847013139125 9.012 > 13 15 Be 0.67258978622970 0.22114519813188 0.24847013139125 9.012 > 15 16 Be 0.67258978622970 0.22114519813188 0.74847013139125 9.012 > 15 17 Be 0.82896702302973 0.94602203778932 0.49569798142961 9.012 > 1 18 Be 0.82896702302973 0.94602203778932 0.99569798142961 9.012 > 1 19 Be 0.17103297697027 0.94602203778932 0.49569798142961 9.012 > 3 20 Be 0.17103297697027 0.94602203778932 0.99569798142961 9.012 > 3 21 Be 0.67103297697027 0.55397796221068 0.24569798142961 9.012 > 5 22 Be 0.67103297697027 0.55397796221068 0.74569798142961 9.012 > 5 23 Be 0.32896702302973 0.55397796221068 0.24569798142961 9.012 > 7 24 Be 0.32896702302973 0.55397796221068 0.74569798142961 9.012 > 7 25 Be 0.67258978622970 0.77885480186812 0.49847013139125 9.012 > 9 26 Be 0.67258978622970 0.77885480186812 0.99847013139125 9.012 > 9 27 Be 0.32741021377030 0.77885480186812 0.49847013139125 9.012 > 11 28 Be 0.32741021377030 0.77885480186812 0.99847013139125 9.012 > 11 29 Be 0.82741021377030 0.72114519813188 0.24847013139125 9.012 > 13 30 Be 0.82741021377030 0.72114519813188 0.74847013139125 9.012 > 13 31 Be 0.17258978622970 0.72114519813188 0.24847013139125 9.012 > 15 32 Be 0.17258978622970 0.72114519813188 0.74847013139125 9.012 > 15 33 Si 0.32518005541547 0.11349153356222 0.49758348623054 28.085 > 33 34 Si 0.32518005541547 0.11349153356222 0.99758348623054 28.085 > 33 35 Si 0.67481994458453 0.11349153356222 0.49758348623054 28.085 > 35 36 Si 0.67481994458453 0.11349153356222 0.99758348623054 28.085 > 35 37 Si 0.17481994458453 0.38650846643778 0.24758348623054 28.085 > 37 38 Si 0.17481994458453 0.38650846643778 0.74758348623054 28.085 > 37 39 Si 0.82518005541547 0.38650846643778 0.24758348623054 28.085 > 39 40 Si 0.82518005541547 0.38650846643778 0.74758348623054 28.085 > 39 41 Si 0.82518005541547 0.61349153356222 0.49758348623054 28.085 > 33 42 Si 0.82518005541547 0.61349153356222 0.99758348623054 28.085 > 33 43 Si 0.17481994458453 0.61349153356222 0.49758348623054 28.085 > 35 44 Si 0.17481994458453 0.61349153356222 0.99758348623054 28.085 > 35 45 Si 0.67481994458453 0.88650846643778 0.24758348623054 28.085 > 37 46 Si 0.67481994458453 0.88650846643778 0.74758348623054 28.085 > 37 47 Si 0.32518005541547 0.88650846643778 0.24758348623054 28.085 > 39 48 Si 0.32518005541547 0.88650846643778 0.74758348623054 28.085 > 39 49 H 0.00000000000000 0.13743116359022 0.35086515754532 1.008 > 49 50 H 0.00000000000000 0.13743116359022 0.85086515754532 1.008 > 49 51 H 0.50000000000000 0.36256883640978 0.10086515754532 1.008 > 51 52 H 0.50000000000000 0.36256883640978 0.60086515754532 1.008 > 51 53 H 0.00000000000000 0.19642287605525 0.10748248503845 1.008 > 53 54 H 0.00000000000000 0.19642287605525 0.60748248503845 1.008 > 53 55 H 0.50000000000000 0.30357712394475 0.35748248503845 1.008 > 55 56 H 0.50000000000000 0.30357712394475 0.85748248503845 1.008 > 55 57 H 0.50000000000000 0.63743116359022 0.35086515754532 1.008 > 49 58 H 0.50000000000000 0.63743116359022 0.85086515754532 1.008 > 49 59 H 0.00000000000000 0.86256883640978 0.10086515754532 1.008 > 51 60 H 0.00000000000000 0.86256883640978 0.60086515754532 1.008 > 51 61 H 0.50000000000000 0.69642287605525 0.10748248503845 1.008 > 53 62 H 0.50000000000000 0.69642287605525 0.60748248503845 1.008 > 53 63 H 0.00000000000000 0.80357712394475 0.35748248503845 1.008 > 55 64 H 0.00000000000000 0.80357712394475 0.85748248503845 1.008 > 55 65 O 0.29175542507512 0.12429485351480 0.32235716137394 15.999 > 65 66 O 0.29175542507512 0.12429485351480 0.82235716137394 15.999 > 65 67 O 0.70824457492487 0.12429485351480 0.32235716137394 15.999 > 67 68 O 0.70824457492487 0.12429485351480 0.82235716137394 15.999 > 67 69 O 0.20824457492487 0.37570514648520 0.07235716137394 15.999 > 69 70 O 0.20824457492487 0.37570514648520 0.57235716137394 15.999 > 69 71 O 0.79175542507513 0.37570514648520 0.07235716137394 15.999 > 71 72 O 0.79175542507513 0.37570514648520 0.57235716137394 15.999 > 71 73 O 0.20601910310790 0.04247039513107 0.07068308276477 15.999 > 73 74 O 0.20601910310790 0.04247039513107 0.57068308276477 15.999 > 73 75 O 0.79398089689210 0.04247039513107 0.07068308276477 15.999 > 75 76 O 0.79398089689210 0.04247039513107 0.57068308276477 15.999 > 75 77 O 0.29398089689210 0.45752960486893 0.32068308276477 15.999 > 77 78 O 0.29398089689210 0.45752960486893 0.82068308276477 15.999 > 77 79 O 0.70601910310790 0.45752960486893 0.32068308276477 15.999 > 79 80 O 0.70601910310790 0.45752960486893 0.82068308276477 15.999 > 79 81 O 0.29468923419394 0.20985107313654 0.07354870526492 15.999 > 81 82 O 0.29468923419394 0.20985107313654 0.57354870526492 15.999 > 81 83 O 0.70531076580606 0.20985107313654 0.07354870526492 15.999 > 83 84 O 0.70531076580606 0.20985107313654 0.57354870526492 15.999 > 83 85 O 0.20531076580606 0.29014892686346 0.32354870526492 15.999 > 85 86 O 0.20531076580606 0.29014892686346 0.82354870526492 15.999 > 85 87 O 0.79468923419394 0.29014892686346 0.32354870526492 15.999 > 87 88 O 0.79468923419394 0.29014892686346 0.82354870526492 15.999 > 87 89 O 0.00000000000000 0.41804160337391 0.27986857198794 15.999 > 89 90 O 0.00000000000000 0.41804160337391 0.77986857198794 15.999 > 89 91 O 0.50000000000000 0.08195839662609 0.02986857198794 15.999 > 91 92 O 0.50000000000000 0.08195839662609 0.52986857198794 15.999 > 91 93 O 0.00000000000000 0.09298797702756 0.27256995655678 15.999 > 93 94 O 0.00000000000000 0.09298797702756 0.77256995655678 15.999 > 93 95 O 0.50000000000000 0.40701202297244 0.02256995655678 15.999 > 95 96 O 0.50000000000000 0.40701202297244 0.52256995655678 15.999 > 95 97 O 0.00000000000000 0.24073121056522 0.02863270696143 15.999 > 97 98 O 0.00000000000000 0.24073121056522 0.52863270696143 15.999 > 97 99 O 0.50000000000000 0.25926878943478 0.27863270696143 15.999 > 99 100 O 0.50000000000000 0.25926878943478 0.77863270696143 15.999 > 99 101 O 0.79175542507513 0.62429485351480 0.32235716137394 15.999 > 65 102 O 0.79175542507513 0.62429485351480 0.82235716137394 15.999 > 65 103 O 0.20824457492487 0.62429485351480 0.32235716137394 15.999 > 67 104 O 0.20824457492487 0.62429485351480 0.82235716137394 15.999 > 67 105 O 0.70824457492487 0.87570514648520 0.07235716137394 15.999 > 69 106 O 0.70824457492487 0.87570514648520 0.57235716137394 15.999 > 69 107 O 0.29175542507513 0.87570514648520 0.07235716137394 15.999 > 71 108 O 0.29175542507513 0.87570514648520 0.57235716137394 15.999 > 71 109 O 0.70601910310790 0.54247039513107 0.07068308276477 15.999 > 73 110 O 0.70601910310790 0.54247039513107 0.57068308276477 15.999 > 73 111 O 0.29398089689210 0.54247039513107 0.07068308276477 15.999 > 75 112 O 0.29398089689210 0.54247039513107 0.57068308276477 15.999 > 75 113 O 0.79398089689210 0.95752960486893 0.32068308276477 15.999 > 77 114 O 0.79398089689210 0.95752960486893 0.82068308276477 15.999 > 77 115 O 0.20601910310790 0.95752960486893 0.32068308276477 15.999 > 79 116 O 0.20601910310790 0.95752960486893 0.82068308276477 15.999 > 79 117 O 0.79468923419394 0.70985107313655 0.07354870526492 15.999 > 81 118 O 0.79468923419394 0.70985107313655 0.57354870526492 15.999 > 81 119 O 0.20531076580606 0.70985107313655 0.07354870526492 15.999 > 83 120 O 0.20531076580606 0.70985107313655 0.57354870526492 15.999 > 83 121 O 0.70531076580606 0.79014892686345 0.32354870526492 15.999 > 85 122 O 0.70531076580606 0.79014892686345 0.82354870526492 15.999 > 85 123 O 0.29468923419394 0.79014892686345 0.32354870526492 15.999 > 87 124 O 0.29468923419394 0.79014892686345 0.82354870526492 15.999 > 87 125 O 0.50000000000000 0.91804160337391 0.27986857198794 15.999 > 89 126 O 0.50000000000000 0.91804160337391 0.77986857198794 15.999 > 89 127 O 0.00000000000000 0.58195839662609 0.02986857198794 15.999 > 91 128 O 0.00000000000000 0.58195839662609 0.52986857198794 15.999 > 91 129 O 0.50000000000000 0.59298797702756 0.27256995655678 15.999 > 93 130 O 0.50000000000000 0.59298797702756 0.77256995655678 15.999 > 93 131 O 0.00000000000000 0.90701202297244 0.02256995655678 15.999 > 95 132 O 0.00000000000000 0.90701202297244 0.52256995655678 15.999 > 95 133 O 0.50000000000000 0.74073121056522 0.02863270696143 15.999 > 97 134 O 0.50000000000000 0.74073121056522 0.52863270696143 15.999 > 97 135 O 0.00000000000000 0.75926878943478 0.27863270696143 15.999 > 99 136 O 0.00000000000000 0.75926878943478 0.77863270696143 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6758004 0.0000000 0.0000000 0.0000000 2.7387344 0.0000000 0.0000000 0.0000000 2.7782364 -------------------------- Born effective charges -------------------------- 1 Be 1.7860512 -0.1693272 0.0378063 -0.0683273 1.9354530 0.0387123 -0.0662552 -0.1435695 1.8942298 2 Be 1.7860512 0.1693272 -0.0378063 0.0683273 1.9354530 0.0387123 0.0662552 -0.1435695 1.8942298 3 Be 1.7860512 -0.1693272 -0.0378063 -0.0683273 1.9354530 -0.0387123 0.0662552 0.1435695 1.8942298 4 Be 1.7860512 0.1693272 0.0378063 0.0683273 1.9354530 -0.0387123 -0.0662552 0.1435695 1.8942298 5 Be 1.7357589 0.0089008 0.0095740 0.0088976 1.8525875 -0.1627177 -0.0077238 0.0752145 1.8876572 6 Be 1.7357589 -0.0089008 -0.0095740 -0.0088976 1.8525875 -0.1627177 0.0077238 0.0752145 1.8876572 7 Be 1.7357589 0.0089008 -0.0095740 0.0088976 1.8525875 0.1627177 0.0077238 -0.0752145 1.8876572 8 Be 1.7357589 -0.0089008 0.0095740 -0.0088976 1.8525875 0.1627177 -0.0077238 -0.0752145 1.8876572 9 Si 3.2232139 -0.1625425 0.0767588 0.2297904 3.0586318 -0.0421743 -0.0651086 0.0214938 3.1832691 10 Si 3.2232139 0.1625425 -0.0767588 -0.2297904 3.0586318 -0.0421743 0.0651086 0.0214938 3.1832691 11 Si 3.2232139 -0.1625425 -0.0767588 0.2297904 3.0586318 0.0421743 0.0651086 -0.0214938 3.1832691 12 Si 3.2232139 0.1625425 0.0767588 -0.2297904 3.0586318 0.0421743 -0.0651086 -0.0214938 3.1832691 13 H 0.4581360 0.0000000 0.0000000 0.0000000 0.5325111 0.1247911 0.0000000 0.1414802 0.5040886 14 H 0.4581360 0.0000000 0.0000000 0.0000000 0.5325111 -0.1247911 0.0000000 -0.1414802 0.5040886 15 H 0.4486357 0.0000000 0.0000000 0.0000000 0.5725001 -0.1432330 0.0000000 -0.1754523 0.5196823 16 H 0.4486357 0.0000000 0.0000000 0.0000000 0.5725001 0.1432330 0.0000000 0.1754523 0.5196823 17 O -1.3015735 -0.2115827 -0.2622833 -0.3222321 -1.7387774 0.0994909 -0.1965353 0.1165154 -2.0680599 18 O -1.3015735 0.2115827 0.2622833 0.3222321 -1.7387774 0.0994909 0.1965353 0.1165154 -2.0680599 19 O -1.3015735 -0.2115827 0.2622833 -0.3222321 -1.7387774 -0.0994909 0.1965353 -0.1165154 -2.0680599 20 O -1.3015735 0.2115827 -0.2622833 0.3222321 -1.7387774 -0.0994909 -0.1965353 -0.1165154 -2.0680599 21 O -1.3183609 -0.3419459 0.2433864 -0.4165338 -1.9687406 0.0241089 0.1875847 -0.0031372 -1.8713433 22 O -1.3183609 0.3419459 -0.2433864 0.4165338 -1.9687406 0.0241089 -0.1875847 -0.0031372 -1.8713433 23 O -1.3183609 -0.3419459 -0.2433864 -0.4165338 -1.9687406 -0.0241089 -0.1875847 0.0031372 -1.8713433 24 O -1.3183609 0.3419459 0.2433864 0.4165338 -1.9687406 -0.0241089 0.1875847 0.0031372 -1.8713433 25 O -1.3379536 0.3646954 -0.1332769 0.3010835 -1.8805208 -0.2019846 -0.0972424 -0.2117463 -1.8664146 26 O -1.3379536 -0.3646954 0.1332769 -0.3010835 -1.8805208 -0.2019846 0.0972424 -0.2117463 -1.8664146 27 O -1.3379536 0.3646954 0.1332769 0.3010835 -1.8805208 0.2019846 0.0972424 0.2117463 -1.8664146 28 O -1.3379536 -0.3646954 -0.1332769 -0.3010835 -1.8805208 0.2019846 -0.0972424 0.2117463 -1.8664146 29 O -2.7983819 0.0000000 0.0000000 0.0000000 -1.1256508 -0.0600690 0.0000000 -0.0156881 -1.0960112 30 O -2.7983819 0.0000000 0.0000000 0.0000000 -1.1256508 0.0600690 0.0000000 0.0156881 -1.0960112 31 O -1.8667175 0.0000000 0.0000000 0.0000000 -1.2358227 0.0072068 0.0000000 -0.0267919 -1.1096210 32 O -1.8667175 0.0000000 0.0000000 0.0000000 -1.2358227 -0.0072068 0.0000000 0.0267919 -1.1096210 33 O -1.8159444 0.0000000 0.0000000 0.0000000 -1.2608045 0.0242778 0.0000000 -0.0160098 -1.1368152 34 O -1.8159444 0.0000000 0.0000000 0.0000000 -1.2608045 -0.0242778 0.0000000 0.0160098 -1.1368152 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (zzz) -0.00000006 (zzz) -0.00000006 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yz) -0.00000002 (yz) 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 22:11:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:11:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.357081935000000 -7.589963505000002 0.000000000000000 b 4.357081935000000 7.589963505000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.570949100000000 Atomic positions (fractional): 1 Be 0.88294498524041 0.77498906081905 0.99139596285923 9.012 2 Be 0.22501093918095 0.11705501475959 0.99139596285923 9.012 3 Be 0.11705501475959 0.22501093918095 0.49139596285923 9.012 4 Be 0.77498906081905 0.88294498524041 0.49139596285923 9.012 5 Be 0.89373498436158 0.45144458809782 0.99694026278251 9.012 6 Be 0.54855541190218 0.10626501563842 0.99694026278251 9.012 7 Be 0.10626501563842 0.54855541190218 0.49694026278251 9.012 8 Be 0.45144458809782 0.89373498436158 0.49694026278251 9.012 9 Si 0.21168852185325 0.43867158897768 0.99516697246108 28.085 10 Si 0.56132841102232 0.78831147814675 0.99516697246108 28.085 11 Si 0.78831147814675 0.56132841102232 0.49516697246108 28.085 12 Si 0.43867158897768 0.21168852185325 0.49516697246108 28.085 13 H 0.86256883640978 0.13743116359022 0.70173031509064 1.008 14 H 0.13743116359022 0.86256883640978 0.20173031509064 1.008 15 H 0.80357712394475 0.19642287605525 0.21496497007691 1.008 16 H 0.19642287605525 0.80357712394475 0.71496497007691 1.008 17 O 0.16746057156033 0.41605027858992 0.64471432274788 15.999 18 O 0.58394972141008 0.83253942843967 0.64471432274788 15.999 19 O 0.83253942843967 0.58394972141008 0.14471432274788 15.999 20 O 0.41605027858992 0.16746057156033 0.14471432274788 15.999 21 O 0.16354870797683 0.24848949823897 0.14136616552955 15.999 22 O 0.75151050176103 0.83645129202317 0.14136616552955 15.999 23 O 0.83645129202317 0.75151050176103 0.64136616552955 15.999 24 O 0.24848949823897 0.16354870797683 0.64136616552955 15.999 25 O 0.08483816105739 0.50454030733048 0.14709741052984 15.999 26 O 0.49545969266952 0.91516183894261 0.14709741052984 15.999 27 O 0.91516183894261 0.49545969266952 0.64709741052984 15.999 28 O 0.50454030733048 0.08483816105739 0.64709741052984 15.999 29 O 0.58195839662609 0.41804160337391 0.55973714397588 15.999 30 O 0.41804160337391 0.58195839662609 0.05973714397588 15.999 31 O 0.90701202297244 0.09298797702756 0.54513991311356 15.999 32 O 0.09298797702756 0.90701202297244 0.04513991311356 15.999 33 O 0.75926878943478 0.24073121056522 0.05726541392286 15.999 34 O 0.24073121056522 0.75926878943478 0.55726541392286 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.714163870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.179927010000004 0.000000000000000 c 0.000000000000000 0.000000000000000 9.141898200000000 Atomic positions (fractional): 1 Be 0.32896702302973 0.44602203778932 0.49569798142961 9.012 > 1 2 Be 0.32896702302973 0.44602203778932 0.99569798142961 9.012 > 1 3 Be 0.67103297697027 0.44602203778932 0.49569798142961 9.012 > 3 4 Be 0.67103297697027 0.44602203778932 0.99569798142961 9.012 > 3 5 Be 0.17103297697027 0.05397796221068 0.24569798142961 9.012 > 5 6 Be 0.17103297697027 0.05397796221068 0.74569798142961 9.012 > 5 7 Be 0.82896702302973 0.05397796221068 0.24569798142961 9.012 > 7 8 Be 0.82896702302973 0.05397796221068 0.74569798142961 9.012 > 7 9 Be 0.17258978622970 0.27885480186812 0.49847013139125 9.012 > 9 10 Be 0.17258978622970 0.27885480186812 0.99847013139125 9.012 > 9 11 Be 0.82741021377030 0.27885480186812 0.49847013139125 9.012 > 11 12 Be 0.82741021377030 0.27885480186812 0.99847013139125 9.012 > 11 13 Be 0.32741021377030 0.22114519813188 0.24847013139125 9.012 > 13 14 Be 0.32741021377030 0.22114519813188 0.74847013139125 9.012 > 13 15 Be 0.67258978622970 0.22114519813188 0.24847013139125 9.012 > 15 16 Be 0.67258978622970 0.22114519813188 0.74847013139125 9.012 > 15 17 Be 0.82896702302973 0.94602203778932 0.49569798142961 9.012 > 1 18 Be 0.82896702302973 0.94602203778932 0.99569798142961 9.012 > 1 19 Be 0.17103297697027 0.94602203778932 0.49569798142961 9.012 > 3 20 Be 0.17103297697027 0.94602203778932 0.99569798142961 9.012 > 3 21 Be 0.67103297697027 0.55397796221068 0.24569798142961 9.012 > 5 22 Be 0.67103297697027 0.55397796221068 0.74569798142961 9.012 > 5 23 Be 0.32896702302973 0.55397796221068 0.24569798142961 9.012 > 7 24 Be 0.32896702302973 0.55397796221068 0.74569798142961 9.012 > 7 25 Be 0.67258978622970 0.77885480186812 0.49847013139125 9.012 > 9 26 Be 0.67258978622970 0.77885480186812 0.99847013139125 9.012 > 9 27 Be 0.32741021377030 0.77885480186812 0.49847013139125 9.012 > 11 28 Be 0.32741021377030 0.77885480186812 0.99847013139125 9.012 > 11 29 Be 0.82741021377030 0.72114519813188 0.24847013139125 9.012 > 13 30 Be 0.82741021377030 0.72114519813188 0.74847013139125 9.012 > 13 31 Be 0.17258978622970 0.72114519813188 0.24847013139125 9.012 > 15 32 Be 0.17258978622970 0.72114519813188 0.74847013139125 9.012 > 15 33 Si 0.32518005541547 0.11349153356222 0.49758348623054 28.085 > 33 34 Si 0.32518005541547 0.11349153356222 0.99758348623054 28.085 > 33 35 Si 0.67481994458453 0.11349153356222 0.49758348623054 28.085 > 35 36 Si 0.67481994458453 0.11349153356222 0.99758348623054 28.085 > 35 37 Si 0.17481994458453 0.38650846643778 0.24758348623054 28.085 > 37 38 Si 0.17481994458453 0.38650846643778 0.74758348623054 28.085 > 37 39 Si 0.82518005541547 0.38650846643778 0.24758348623054 28.085 > 39 40 Si 0.82518005541547 0.38650846643778 0.74758348623054 28.085 > 39 41 Si 0.82518005541547 0.61349153356222 0.49758348623054 28.085 > 33 42 Si 0.82518005541547 0.61349153356222 0.99758348623054 28.085 > 33 43 Si 0.17481994458453 0.61349153356222 0.49758348623054 28.085 > 35 44 Si 0.17481994458453 0.61349153356222 0.99758348623054 28.085 > 35 45 Si 0.67481994458453 0.88650846643778 0.24758348623054 28.085 > 37 46 Si 0.67481994458453 0.88650846643778 0.74758348623054 28.085 > 37 47 Si 0.32518005541547 0.88650846643778 0.24758348623054 28.085 > 39 48 Si 0.32518005541547 0.88650846643778 0.74758348623054 28.085 > 39 49 H 0.00000000000000 0.13743116359022 0.35086515754532 1.008 > 49 50 H 0.00000000000000 0.13743116359022 0.85086515754532 1.008 > 49 51 H 0.50000000000000 0.36256883640978 0.10086515754532 1.008 > 51 52 H 0.50000000000000 0.36256883640978 0.60086515754532 1.008 > 51 53 H 0.00000000000000 0.19642287605525 0.10748248503845 1.008 > 53 54 H 0.00000000000000 0.19642287605525 0.60748248503845 1.008 > 53 55 H 0.50000000000000 0.30357712394475 0.35748248503845 1.008 > 55 56 H 0.50000000000000 0.30357712394475 0.85748248503845 1.008 > 55 57 H 0.50000000000000 0.63743116359022 0.35086515754532 1.008 > 49 58 H 0.50000000000000 0.63743116359022 0.85086515754532 1.008 > 49 59 H 0.00000000000000 0.86256883640978 0.10086515754532 1.008 > 51 60 H 0.00000000000000 0.86256883640978 0.60086515754532 1.008 > 51 61 H 0.50000000000000 0.69642287605525 0.10748248503845 1.008 > 53 62 H 0.50000000000000 0.69642287605525 0.60748248503845 1.008 > 53 63 H 0.00000000000000 0.80357712394475 0.35748248503845 1.008 > 55 64 H 0.00000000000000 0.80357712394475 0.85748248503845 1.008 > 55 65 O 0.29175542507512 0.12429485351480 0.32235716137394 15.999 > 65 66 O 0.29175542507512 0.12429485351480 0.82235716137394 15.999 > 65 67 O 0.70824457492487 0.12429485351480 0.32235716137394 15.999 > 67 68 O 0.70824457492487 0.12429485351480 0.82235716137394 15.999 > 67 69 O 0.20824457492487 0.37570514648520 0.07235716137394 15.999 > 69 70 O 0.20824457492487 0.37570514648520 0.57235716137394 15.999 > 69 71 O 0.79175542507513 0.37570514648520 0.07235716137394 15.999 > 71 72 O 0.79175542507513 0.37570514648520 0.57235716137394 15.999 > 71 73 O 0.20601910310790 0.04247039513107 0.07068308276477 15.999 > 73 74 O 0.20601910310790 0.04247039513107 0.57068308276477 15.999 > 73 75 O 0.79398089689210 0.04247039513107 0.07068308276477 15.999 > 75 76 O 0.79398089689210 0.04247039513107 0.57068308276477 15.999 > 75 77 O 0.29398089689210 0.45752960486893 0.32068308276477 15.999 > 77 78 O 0.29398089689210 0.45752960486893 0.82068308276477 15.999 > 77 79 O 0.70601910310790 0.45752960486893 0.32068308276477 15.999 > 79 80 O 0.70601910310790 0.45752960486893 0.82068308276477 15.999 > 79 81 O 0.29468923419394 0.20985107313654 0.07354870526492 15.999 > 81 82 O 0.29468923419394 0.20985107313654 0.57354870526492 15.999 > 81 83 O 0.70531076580606 0.20985107313654 0.07354870526492 15.999 > 83 84 O 0.70531076580606 0.20985107313654 0.57354870526492 15.999 > 83 85 O 0.20531076580606 0.29014892686346 0.32354870526492 15.999 > 85 86 O 0.20531076580606 0.29014892686346 0.82354870526492 15.999 > 85 87 O 0.79468923419394 0.29014892686346 0.32354870526492 15.999 > 87 88 O 0.79468923419394 0.29014892686346 0.82354870526492 15.999 > 87 89 O 0.00000000000000 0.41804160337391 0.27986857198794 15.999 > 89 90 O 0.00000000000000 0.41804160337391 0.77986857198794 15.999 > 89 91 O 0.50000000000000 0.08195839662609 0.02986857198794 15.999 > 91 92 O 0.50000000000000 0.08195839662609 0.52986857198794 15.999 > 91 93 O 0.00000000000000 0.09298797702756 0.27256995655678 15.999 > 93 94 O 0.00000000000000 0.09298797702756 0.77256995655678 15.999 > 93 95 O 0.50000000000000 0.40701202297244 0.02256995655678 15.999 > 95 96 O 0.50000000000000 0.40701202297244 0.52256995655678 15.999 > 95 97 O 0.00000000000000 0.24073121056522 0.02863270696143 15.999 > 97 98 O 0.00000000000000 0.24073121056522 0.52863270696143 15.999 > 97 99 O 0.50000000000000 0.25926878943478 0.27863270696143 15.999 > 99 100 O 0.50000000000000 0.25926878943478 0.77863270696143 15.999 > 99 101 O 0.79175542507513 0.62429485351480 0.32235716137394 15.999 > 65 102 O 0.79175542507513 0.62429485351480 0.82235716137394 15.999 > 65 103 O 0.20824457492487 0.62429485351480 0.32235716137394 15.999 > 67 104 O 0.20824457492487 0.62429485351480 0.82235716137394 15.999 > 67 105 O 0.70824457492487 0.87570514648520 0.07235716137394 15.999 > 69 106 O 0.70824457492487 0.87570514648520 0.57235716137394 15.999 > 69 107 O 0.29175542507513 0.87570514648520 0.07235716137394 15.999 > 71 108 O 0.29175542507513 0.87570514648520 0.57235716137394 15.999 > 71 109 O 0.70601910310790 0.54247039513107 0.07068308276477 15.999 > 73 110 O 0.70601910310790 0.54247039513107 0.57068308276477 15.999 > 73 111 O 0.29398089689210 0.54247039513107 0.07068308276477 15.999 > 75 112 O 0.29398089689210 0.54247039513107 0.57068308276477 15.999 > 75 113 O 0.79398089689210 0.95752960486893 0.32068308276477 15.999 > 77 114 O 0.79398089689210 0.95752960486893 0.82068308276477 15.999 > 77 115 O 0.20601910310790 0.95752960486893 0.32068308276477 15.999 > 79 116 O 0.20601910310790 0.95752960486893 0.82068308276477 15.999 > 79 117 O 0.79468923419394 0.70985107313655 0.07354870526492 15.999 > 81 118 O 0.79468923419394 0.70985107313655 0.57354870526492 15.999 > 81 119 O 0.20531076580606 0.70985107313655 0.07354870526492 15.999 > 83 120 O 0.20531076580606 0.70985107313655 0.57354870526492 15.999 > 83 121 O 0.70531076580606 0.79014892686345 0.32354870526492 15.999 > 85 122 O 0.70531076580606 0.79014892686345 0.82354870526492 15.999 > 85 123 O 0.29468923419394 0.79014892686345 0.32354870526492 15.999 > 87 124 O 0.29468923419394 0.79014892686345 0.82354870526492 15.999 > 87 125 O 0.50000000000000 0.91804160337391 0.27986857198794 15.999 > 89 126 O 0.50000000000000 0.91804160337391 0.77986857198794 15.999 > 89 127 O 0.00000000000000 0.58195839662609 0.02986857198794 15.999 > 91 128 O 0.00000000000000 0.58195839662609 0.52986857198794 15.999 > 91 129 O 0.50000000000000 0.59298797702756 0.27256995655678 15.999 > 93 130 O 0.50000000000000 0.59298797702756 0.77256995655678 15.999 > 93 131 O 0.00000000000000 0.90701202297244 0.02256995655678 15.999 > 95 132 O 0.00000000000000 0.90701202297244 0.52256995655678 15.999 > 95 133 O 0.50000000000000 0.74073121056522 0.02863270696143 15.999 > 97 134 O 0.50000000000000 0.74073121056522 0.52863270696143 15.999 > 97 135 O 0.00000000000000 0.75926878943478 0.27863270696143 15.999 > 99 136 O 0.00000000000000 0.75926878943478 0.77863270696143 15.999 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6758004 0.0000000 0.0000000 0.0000000 2.7387344 0.0000000 0.0000000 0.0000000 2.7782364 -------------------------- Born effective charges -------------------------- 1 Be 1.7860512 -0.1693272 0.0378063 -0.0683273 1.9354530 0.0387123 -0.0662552 -0.1435695 1.8942298 2 Be 1.7860512 0.1693272 -0.0378063 0.0683273 1.9354530 0.0387123 0.0662552 -0.1435695 1.8942298 3 Be 1.7860512 -0.1693272 -0.0378063 -0.0683273 1.9354530 -0.0387123 0.0662552 0.1435695 1.8942298 4 Be 1.7860512 0.1693272 0.0378063 0.0683273 1.9354530 -0.0387123 -0.0662552 0.1435695 1.8942298 5 Be 1.7357589 0.0089008 0.0095740 0.0088976 1.8525875 -0.1627177 -0.0077238 0.0752145 1.8876572 6 Be 1.7357589 -0.0089008 -0.0095740 -0.0088976 1.8525875 -0.1627177 0.0077238 0.0752145 1.8876572 7 Be 1.7357589 0.0089008 -0.0095740 0.0088976 1.8525875 0.1627177 0.0077238 -0.0752145 1.8876572 8 Be 1.7357589 -0.0089008 0.0095740 -0.0088976 1.8525875 0.1627177 -0.0077238 -0.0752145 1.8876572 9 Si 3.2232139 -0.1625425 0.0767588 0.2297904 3.0586318 -0.0421743 -0.0651086 0.0214938 3.1832691 10 Si 3.2232139 0.1625425 -0.0767588 -0.2297904 3.0586318 -0.0421743 0.0651086 0.0214938 3.1832691 11 Si 3.2232139 -0.1625425 -0.0767588 0.2297904 3.0586318 0.0421743 0.0651086 -0.0214938 3.1832691 12 Si 3.2232139 0.1625425 0.0767588 -0.2297904 3.0586318 0.0421743 -0.0651086 -0.0214938 3.1832691 13 H 0.4581360 0.0000000 0.0000000 0.0000000 0.5325111 0.1247911 0.0000000 0.1414802 0.5040886 14 H 0.4581360 0.0000000 0.0000000 0.0000000 0.5325111 -0.1247911 0.0000000 -0.1414802 0.5040886 15 H 0.4486357 0.0000000 0.0000000 0.0000000 0.5725001 -0.1432330 0.0000000 -0.1754523 0.5196823 16 H 0.4486357 0.0000000 0.0000000 0.0000000 0.5725001 0.1432330 0.0000000 0.1754523 0.5196823 17 O -1.3015735 -0.2115827 -0.2622833 -0.3222321 -1.7387774 0.0994909 -0.1965353 0.1165154 -2.0680599 18 O -1.3015735 0.2115827 0.2622833 0.3222321 -1.7387774 0.0994909 0.1965353 0.1165154 -2.0680599 19 O -1.3015735 -0.2115827 0.2622833 -0.3222321 -1.7387774 -0.0994909 0.1965353 -0.1165154 -2.0680599 20 O -1.3015735 0.2115827 -0.2622833 0.3222321 -1.7387774 -0.0994909 -0.1965353 -0.1165154 -2.0680599 21 O -1.3183609 -0.3419459 0.2433864 -0.4165338 -1.9687406 0.0241089 0.1875847 -0.0031372 -1.8713433 22 O -1.3183609 0.3419459 -0.2433864 0.4165338 -1.9687406 0.0241089 -0.1875847 -0.0031372 -1.8713433 23 O -1.3183609 -0.3419459 -0.2433864 -0.4165338 -1.9687406 -0.0241089 -0.1875847 0.0031372 -1.8713433 24 O -1.3183609 0.3419459 0.2433864 0.4165338 -1.9687406 -0.0241089 0.1875847 0.0031372 -1.8713433 25 O -1.3379536 0.3646954 -0.1332769 0.3010835 -1.8805208 -0.2019846 -0.0972424 -0.2117463 -1.8664146 26 O -1.3379536 -0.3646954 0.1332769 -0.3010835 -1.8805208 -0.2019846 0.0972424 -0.2117463 -1.8664146 27 O -1.3379536 0.3646954 0.1332769 0.3010835 -1.8805208 0.2019846 0.0972424 0.2117463 -1.8664146 28 O -1.3379536 -0.3646954 -0.1332769 -0.3010835 -1.8805208 0.2019846 -0.0972424 0.2117463 -1.8664146 29 O -2.7983819 0.0000000 0.0000000 0.0000000 -1.1256508 -0.0600690 0.0000000 -0.0156881 -1.0960112 30 O -2.7983819 0.0000000 0.0000000 0.0000000 -1.1256508 0.0600690 0.0000000 0.0156881 -1.0960112 31 O -1.8667175 0.0000000 0.0000000 0.0000000 -1.2358227 0.0072068 0.0000000 -0.0267919 -1.1096210 32 O -1.8667175 0.0000000 0.0000000 0.0000000 -1.2358227 -0.0072068 0.0000000 0.0267919 -1.1096210 33 O -1.8159444 0.0000000 0.0000000 0.0000000 -1.2608045 0.0242778 0.0000000 -0.0160098 -1.1368152 34 O -1.8159444 0.0000000 0.0000000 0.0000000 -1.2608045 -0.0242778 0.0000000 0.0160098 -1.1368152 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (zzz) -0.00000006 (zzz) -0.00000006 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 11 ] 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: 0.62, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 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 5.130 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 -0.000) 0.000 5.643 ( 0.000 0.000 -0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 -0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 -0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 -0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 -0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 -0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 -0.000) 0.000 10.428 ( 0.000 0.000 -0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 12.118 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 -0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.313 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 -0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000 14.586 ( 0.000 0.000 -0.000) 0.000 14.828 ( 0.000 0.000 0.000) 0.000 15.105 ( 0.000 0.000 0.000) 0.000 15.145 ( 0.000 0.000 0.000) 0.000 15.498 ( 0.000 0.000 0.000) 0.000 15.537 ( 0.000 0.000 0.000) 0.000 15.633 ( 0.000 0.000 -0.000) 0.000 15.729 ( 0.000 0.000 0.000) 0.000 16.996 ( 0.000 0.000 0.000) 0.000 17.013 ( 0.000 0.000 -0.000) 0.000 18.095 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 -0.000) 0.000 18.785 ( 0.000 0.000 0.000) 0.000 20.224 ( 0.000 0.000 0.000) 0.000 20.306 ( 0.000 0.000 0.000) 0.000 20.957 ( 0.000 0.000 0.000) 0.000 21.051 ( 0.000 0.000 0.000) 0.000 21.123 ( 0.000 0.000 0.000) 0.000 21.305 ( 0.000 0.000 0.000) 0.000 21.463 ( 0.000 0.000 0.000) 0.000 21.550 ( 0.000 0.000 0.000) 0.000 21.738 ( 0.000 0.000 0.000) 0.000 21.847 ( 0.000 0.000 -0.000) 0.000 21.908 ( 0.000 0.000 0.000) 0.000 22.037 ( 0.000 0.000 0.000) 0.000 22.241 ( 0.000 0.000 0.000) 0.000 22.243 ( 0.000 0.000 0.000) 0.000 22.533 ( 0.000 0.000 0.000) 0.000 22.720 ( 0.000 0.000 0.000) 0.000 22.753 ( 0.000 0.000 0.000) 0.000 22.833 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 23.162 ( 0.000 0.000 0.000) 0.000 23.393 ( 0.000 0.000 -0.000) 0.000 23.482 ( 0.000 0.000 0.000) 0.000 23.998 ( 0.000 0.000 0.000) 0.000 24.371 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 24.867 ( 0.000 0.000 0.000) 0.000 24.940 ( 0.000 0.000 -0.000) 0.000 26.141 ( 0.000 0.000 -0.000) 0.000 26.167 ( 0.000 0.000 0.000) 0.000 26.458 ( 0.000 0.000 -0.000) 0.000 27.359 ( 0.000 0.000 0.000) 0.000 27.383 ( 0.000 0.000 0.000) 0.000 27.468 ( 0.000 0.000 0.000) 0.000 27.710 ( 0.000 0.000 -0.000) 0.000 27.890 ( 0.000 0.000 -0.000) 0.000 28.017 ( 0.000 0.000 0.000) 0.000 28.464 ( 0.000 0.000 0.000) 0.000 29.036 ( 0.000 0.000 0.000) 0.000 29.748 ( 0.000 0.000 0.000) 0.000 30.212 ( 0.000 0.000 0.000) 0.000 32.066 ( 0.000 0.000 0.000) 0.000 32.271 ( 0.000 0.000 0.000) 0.000 32.277 ( 0.000 0.000 0.000) 0.000 32.477 ( 0.000 0.000 0.000) 0.000 34.605 ( 0.000 0.000 0.000) 0.000 35.052 ( 0.000 0.000 -0.000) 0.000 105.092 ( 0.000 0.000 -0.000) 0.000 105.114 ( 0.000 0.000 0.000) 0.000 106.997 ( 0.000 0.000 -0.000) 0.000 107.075 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 32.913 -36.338 0.000) 49.028 0.964 ( 34.894 -43.267 0.000) 55.584 1.641 ( 90.521 -12.057 0.000) 91.320 4.695 ( -17.394 29.135 0.000) 33.932 4.931 ( -19.166 20.886 0.000) 28.347 5.182 ( -13.252 -0.536 0.000) 13.262 5.313 ( -14.624 -5.219 0.000) 15.528 5.673 ( 5.458 7.017 0.000) 8.890 5.775 ( 4.639 5.122 0.000) 6.910 5.787 ( 1.959 24.717 0.000) 24.795 5.953 ( -1.649 15.478 0.000) 15.565 6.196 ( 6.594 -17.991 0.000) 19.161 6.246 ( 0.298 3.412 0.000) 3.425 6.350 ( -8.282 4.711 0.000) 9.529 6.764 ( -3.015 -11.770 0.000) 12.151 6.952 ( 0.019 -9.669 0.000) 9.669 7.150 ( 0.008 -46.693 0.000) 46.693 7.585 ( 10.132 -14.457 0.000) 17.654 8.306 ( 15.672 -0.235 0.000) 15.674 8.609 ( -2.271 3.245 0.000) 3.961 8.734 ( -2.521 8.140 0.000) 8.522 9.076 ( 5.427 3.202 0.000) 6.301 9.692 ( -5.075 -7.471 0.000) 9.032 9.876 ( -14.207 -5.270 0.000) 15.153 10.310 ( -6.821 4.990 0.000) 8.451 10.354 ( 11.671 6.224 0.000) 13.227 10.485 ( 2.211 5.117 0.000) 5.574 10.613 ( 18.474 17.579 0.000) 25.502 11.215 ( -9.079 -8.197 0.000) 12.232 11.340 ( 9.114 -11.574 0.000) 14.732 11.550 ( 8.149 -15.929 0.000) 17.892 11.973 ( -19.880 -4.813 0.000) 20.454 12.207 ( 0.787 -5.045 0.000) 5.106 12.494 ( 4.507 16.110 0.000) 16.729 12.716 ( -20.420 9.945 0.000) 22.713 12.828 ( -19.970 4.584 0.000) 20.489 13.550 ( 16.010 9.744 0.000) 18.742 14.293 ( 2.495 -6.650 0.000) 7.102 14.504 ( -2.195 -3.604 0.000) 4.220 14.621 ( 18.291 -2.947 0.000) 18.527 14.827 ( -3.140 2.322 0.000) 3.905 14.944 ( -8.183 6.996 0.000) 10.766 15.150 ( -3.332 5.683 0.000) 6.588 15.363 ( -14.332 -8.101 0.000) 16.463 15.584 ( 3.505 -9.423 0.000) 10.053 15.953 ( 13.990 19.981 0.000) 24.392 16.072 ( 22.057 -4.160 0.000) 22.446 16.900 ( -5.335 6.389 0.000) 8.324 17.037 ( -3.562 -3.880 0.000) 5.268 18.110 ( 2.419 -0.279 0.000) 2.435 18.442 ( -3.234 16.039 0.000) 16.361 18.820 ( -7.649 -12.554 0.000) 14.700 20.284 ( 4.768 -1.663 0.000) 5.050 20.335 ( 3.251 -0.037 0.000) 3.251 20.947 ( -2.391 -1.499 0.000) 2.822 21.087 ( -3.354 -0.599 0.000) 3.408 21.133 ( 5.690 7.931 0.000) 9.761 21.458 ( 2.892 6.274 0.000) 6.909 21.563 ( -1.121 -2.790 0.000) 3.007 21.612 ( -18.079 -27.906 0.000) 33.250 21.699 ( -1.157 2.535 0.000) 2.787 21.959 ( 2.377 -3.395 0.000) 4.145 22.005 ( 0.602 1.048 0.000) 1.209 22.084 ( -2.206 -7.910 0.000) 8.212 22.222 ( -5.848 -8.021 0.000) 9.927 22.360 ( 9.732 3.760 0.000) 10.433 22.583 ( 1.900 -7.562 0.000) 7.797 22.716 ( -1.507 5.268 0.000) 5.479 22.818 ( -2.589 -1.558 0.000) 3.021 23.047 ( 0.006 0.114 0.000) 0.114 23.108 ( 3.007 5.066 0.000) 5.891 23.448 ( 3.705 -3.958 0.000) 5.421 23.482 ( 0.265 0.437 0.000) 0.511 23.791 ( 0.385 -4.757 0.000) 4.772 23.988 ( -1.261 0.445 0.000) 1.338 24.381 ( -6.181 -2.589 0.000) 6.701 24.640 ( -4.068 -8.071 0.000) 9.038 24.817 ( -13.321 1.538 0.000) 13.410 25.460 ( 10.385 5.472 0.000) 11.738 26.140 ( -2.153 1.610 0.000) 2.689 26.404 ( -0.326 0.514 0.000) 0.609 26.795 ( 22.496 42.235 0.000) 47.853 27.359 ( -0.781 -1.282 0.000) 1.502 27.390 ( 1.774 1.740 0.000) 2.485 27.662 ( -5.179 -11.557 0.000) 12.664 27.790 ( -5.354 2.846 0.000) 6.064 28.083 ( 8.976 14.326 0.000) 16.906 28.496 ( -1.424 -14.009 0.000) 14.082 28.807 ( -39.001 -53.309 0.000) 66.053 29.244 ( -8.305 -23.804 0.000) 25.211 29.594 ( -12.999 -2.090 0.000) 13.165 30.249 ( -6.704 -14.017 0.000) 15.538 32.150 ( 7.046 0.525 0.000) 7.066 32.360 ( 2.276 -1.457 0.000) 2.702 32.370 ( 10.908 -1.604 0.000) 11.025 34.551 ( -3.516 5.634 0.000) 6.641 35.024 ( -2.188 1.051 0.000) 2.427 35.406 ( 44.773 80.988 0.000) 92.540 105.092 ( -0.021 -0.001 0.000) 0.021 105.123 ( -0.909 -1.352 0.000) 1.629 107.043 ( -4.035 -5.453 0.000) 6.783 107.085 ( -0.813 -3.040 0.000) 3.147 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 29.015 -35.183 0.000) 45.604 1.939 ( 33.970 -42.770 0.000) 54.619 3.159 ( 82.251 -6.173 0.000) 82.483 4.077 ( -20.419 35.475 0.000) 40.932 4.433 ( -17.642 17.482 0.000) 24.837 4.887 ( -21.770 10.268 0.000) 24.070 5.017 ( -21.234 21.940 0.000) 30.533 5.179 ( -0.590 14.044 0.000) 14.056 5.675 ( -8.164 11.436 0.000) 14.051 5.731 ( -13.626 0.378 0.000) 13.631 5.954 ( 5.199 -8.309 0.000) 9.801 6.167 ( -2.080 3.310 0.000) 3.910 6.529 ( 19.258 1.546 0.000) 19.320 6.588 ( 6.045 -20.449 0.000) 21.324 6.767 ( -7.591 -11.624 0.000) 13.883 7.068 ( 0.897 -12.516 0.000) 12.548 7.546 ( -0.658 -32.337 0.000) 32.344 7.707 ( 7.901 -8.468 0.000) 11.582 8.319 ( -5.534 14.669 0.000) 15.678 8.669 ( 1.053 2.704 0.000) 2.902 8.812 ( 15.799 -1.969 0.000) 15.922 9.242 ( 12.274 -0.730 0.000) 12.296 9.491 ( -19.773 1.519 0.000) 19.831 9.778 ( -11.626 -10.854 0.000) 15.905 10.133 ( -0.047 3.147 0.000) 3.148 10.318 ( 6.820 17.621 0.000) 18.895 10.635 ( 10.093 0.513 0.000) 10.106 10.834 ( 23.649 15.086 0.000) 28.051 11.040 ( -7.464 -0.109 0.000) 7.465 11.555 ( -27.938 1.652 0.000) 27.987 11.743 ( 14.441 -13.023 0.000) 19.446 11.839 ( 4.321 -16.447 0.000) 17.005 12.159 ( -14.590 -3.822 0.000) 15.082 12.304 ( -18.914 4.768 0.000) 19.506 12.527 ( 3.750 3.558 0.000) 5.170 12.557 ( 2.291 0.934 0.000) 2.475 13.516 ( 0.162 24.635 0.000) 24.636 14.457 ( 6.830 -10.705 0.000) 12.699 14.523 ( 1.247 -3.743 0.000) 3.946 14.580 ( -10.217 7.271 0.000) 12.540 14.904 ( 4.446 1.711 0.000) 4.764 14.973 ( 8.128 0.047 0.000) 8.128 15.049 ( -0.810 -1.412 0.000) 1.628 15.144 ( -17.514 -3.865 0.000) 17.935 15.783 ( 4.399 -14.350 0.000) 15.010 15.981 ( 8.772 8.660 0.000) 12.326 16.479 ( 19.132 -0.383 0.000) 19.135 16.721 ( -7.815 8.206 0.000) 11.332 17.007 ( -1.778 -6.487 0.000) 6.726 18.131 ( -8.300 16.314 0.000) 18.304 18.234 ( 5.539 0.323 0.000) 5.549 18.780 ( -12.296 -12.629 0.000) 17.626 20.384 ( 5.041 0.147 0.000) 5.043 20.409 ( 5.304 -0.923 0.000) 5.384 20.895 ( -4.065 0.478 0.000) 4.094 21.051 ( -2.410 -2.567 0.000) 3.520 21.157 ( 3.261 2.474 0.000) 4.093 21.426 ( 0.705 7.071 0.000) 7.106 21.547 ( -1.101 -0.057 0.000) 1.103 21.596 ( -7.460 -12.025 0.000) 14.151 21.701 ( 4.365 2.119 0.000) 4.852 21.997 ( -0.983 -0.375 0.000) 1.052 22.037 ( 3.145 -1.413 0.000) 3.448 22.083 ( -3.743 -2.410 0.000) 4.452 22.252 ( 0.253 -10.099 0.000) 10.102 22.464 ( 5.385 5.204 0.000) 7.489 22.609 ( -3.860 5.413 0.000) 6.649 22.736 ( 4.187 -6.711 0.000) 7.910 22.792 ( -0.478 -3.225 0.000) 3.260 23.028 ( 0.404 3.106 0.000) 3.132 23.171 ( 7.082 -1.671 0.000) 7.276 23.482 ( 0.332 0.654 0.000) 0.733 23.553 ( 2.648 -5.419 0.000) 6.032 23.873 ( 8.296 2.725 0.000) 8.732 23.936 ( -4.206 1.472 0.000) 4.456 24.279 ( -3.657 5.689 0.000) 6.763 24.516 ( -20.008 0.553 0.000) 20.016 24.702 ( 1.301 -9.523 0.000) 9.612 25.547 ( 2.105 3.747 0.000) 4.298 26.008 ( -10.078 -2.464 0.000) 10.375 26.469 ( 7.241 0.018 0.000) 7.241 26.777 ( 12.048 22.446 0.000) 25.475 27.359 ( -0.916 -1.838 0.000) 2.054 27.403 ( 1.929 2.467 0.000) 3.132 27.631 ( -5.867 -0.692 0.000) 5.907 27.722 ( -0.996 4.022 0.000) 4.144 28.040 ( -0.572 -0.621 0.000) 0.844 28.587 ( -5.468 -9.036 0.000) 10.562 28.838 ( 4.631 -13.035 0.000) 13.833 29.082 ( -17.819 -0.557 0.000) 17.828 29.558 ( -4.748 -11.641 0.000) 12.572 30.220 ( -9.907 -10.372 0.000) 14.343 32.230 ( 4.405 1.192 0.000) 4.564 32.370 ( -1.129 -2.459 0.000) 2.705 32.743 ( 24.707 -6.450 0.000) 25.535 34.367 ( -9.442 10.957 0.000) 14.464 34.985 ( -2.093 -0.969 0.000) 2.307 35.367 ( 16.203 32.900 0.000) 36.674 105.091 ( -0.018 -0.008 0.000) 0.020 105.120 ( -0.428 -0.436 0.000) 0.611 107.029 ( -1.554 -1.479 0.000) 2.146 107.100 ( -0.350 -1.904 0.000) 1.936 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 22.830 -30.663 0.000) 38.229 2.831 ( 26.568 -33.415 0.000) 42.689 3.393 ( -22.205 31.042 0.000) 38.166 3.995 ( -10.399 21.332 0.000) 23.732 4.194 ( -4.051 15.018 0.000) 15.554 4.486 ( 44.807 5.377 0.000) 45.129 4.761 ( -2.419 -0.244 0.000) 2.431 5.138 ( -6.644 0.483 0.000) 6.661 5.408 ( -18.462 1.021 0.000) 18.491 5.541 ( -2.714 -4.505 0.000) 5.259 5.813 ( -19.791 4.562 0.000) 20.310 6.269 ( 7.522 -6.610 0.000) 10.014 6.476 ( -9.990 2.731 0.000) 10.357 6.687 ( 1.783 -1.222 0.000) 2.162 7.058 ( 7.748 -12.584 0.000) 14.778 7.227 ( 8.756 -4.976 0.000) 10.071 7.814 ( 9.886 -4.931 0.000) 11.048 8.088 ( -1.842 2.477 0.000) 3.087 8.098 ( 18.194 -10.443 0.000) 20.978 8.460 ( -18.046 8.924 0.000) 20.132 8.850 ( -14.269 3.365 0.000) 14.661 9.214 ( -6.999 -0.833 0.000) 7.049 9.419 ( 10.984 0.358 0.000) 10.990 9.647 ( -10.493 -3.476 0.000) 11.054 10.285 ( 17.714 6.997 0.000) 19.046 10.487 ( 22.353 -0.695 0.000) 22.364 10.638 ( -11.038 -0.015 0.000) 11.038 10.896 ( 1.104 2.091 0.000) 2.365 11.054 ( -21.324 -0.570 0.000) 21.332 11.216 ( 12.564 4.477 0.000) 13.338 11.828 ( -5.642 7.138 0.000) 9.098 11.907 ( -10.794 -5.109 0.000) 11.942 12.047 ( -0.185 -0.313 0.000) 0.364 12.080 ( -1.372 -6.672 0.000) 6.811 12.592 ( 4.584 -0.963 0.000) 4.684 12.789 ( 8.582 -18.901 0.000) 20.758 13.190 ( -7.896 25.640 0.000) 26.828 14.454 ( 1.136 2.902 0.000) 3.116 14.583 ( 6.557 5.289 0.000) 8.424 14.632 ( -2.830 -11.300 0.000) 11.648 14.873 ( -9.526 -0.078 0.000) 9.526 14.915 ( -2.250 2.359 0.000) 3.260 14.947 ( -0.777 -1.272 0.000) 1.490 15.206 ( 4.273 -2.328 0.000) 4.867 15.905 ( 1.645 -1.596 0.000) 2.292 16.160 ( 11.166 -9.626 0.000) 14.742 16.469 ( -10.312 11.001 0.000) 15.078 16.595 ( 1.062 4.568 0.000) 4.689 17.263 ( 17.108 -15.314 0.000) 22.961 17.723 ( -18.209 16.636 0.000) 24.664 18.429 ( 13.971 -0.041 0.000) 13.971 18.645 ( -14.673 -5.897 0.000) 15.814 20.444 ( 2.360 0.174 0.000) 2.366 20.482 ( 2.082 -0.112 0.000) 2.085 20.839 ( -1.768 0.190 0.000) 1.778 21.047 ( -0.578 -1.090 0.000) 1.234 21.186 ( 1.163 -0.073 0.000) 1.166 21.373 ( -0.097 3.584 0.000) 3.585 21.535 ( -0.897 -0.783 0.000) 1.190 21.596 ( -1.065 -2.403 0.000) 2.629 21.778 ( 5.956 1.190 0.000) 6.074 21.925 ( -6.638 -0.977 0.000) 6.710 22.062 ( -0.714 -0.807 0.000) 1.077 22.121 ( 3.080 -3.093 0.000) 4.365 22.375 ( 5.320 -1.164 0.000) 5.446 22.410 ( -4.367 0.167 0.000) 4.370 22.529 ( -2.425 2.615 0.000) 3.567 22.731 ( -1.251 0.274 0.000) 1.281 22.901 ( 1.720 -3.861 0.000) 4.227 23.017 ( 0.737 1.404 0.000) 1.586 23.391 ( 15.373 -1.963 0.000) 15.498 23.484 ( 0.935 -0.275 0.000) 0.974 23.610 ( -1.876 -2.713 0.000) 3.298 23.788 ( -9.161 3.011 0.000) 9.643 24.017 ( 9.415 1.717 0.000) 9.571 24.170 ( -2.274 5.660 0.000) 6.099 24.226 ( -13.595 -2.357 0.000) 13.798 24.842 ( 4.882 -5.375 0.000) 7.261 25.423 ( -7.751 4.009 0.000) 8.726 25.960 ( -1.155 -3.286 0.000) 3.483 26.595 ( 6.492 -0.753 0.000) 6.536 26.744 ( 1.928 9.241 0.000) 9.440 27.371 ( 0.455 -1.859 0.000) 1.913 27.400 ( 0.122 2.109 0.000) 2.113 27.555 ( -2.475 0.237 0.000) 2.486 27.629 ( -2.684 4.146 0.000) 4.939 28.165 ( 3.881 -15.787 0.000) 16.257 28.465 ( -3.251 17.780 0.000) 18.075 28.842 ( -8.875 -6.120 0.000) 10.781 29.108 ( 8.350 -7.018 0.000) 10.908 29.525 ( -6.300 -2.040 0.000) 6.622 30.164 ( -3.994 -3.577 0.000) 5.362 32.278 ( 2.324 0.854 0.000) 2.476 32.369 ( -1.108 -1.405 0.000) 1.789 33.187 ( 16.765 -7.132 0.000) 18.219 34.079 ( -10.393 8.955 0.000) 13.719 34.974 ( -0.726 -1.137 0.000) 1.349 35.330 ( 4.440 10.232 0.000) 11.154 105.091 ( -0.004 -0.006 0.000) 0.007 105.118 ( -0.144 -0.104 0.000) 0.178 107.021 ( -0.462 -0.351 0.000) 0.580 107.108 ( -0.093 -0.648 0.000) 0.654 ======================= Grid point 8 (5/96) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 39.203 -0.000 0.000) 39.203 1.470 ( 41.685 -0.000 0.000) 41.685 3.099 ( 89.047 -0.000 0.000) 89.047 4.541 ( -16.637 0.000 0.000) 16.637 4.713 ( -31.141 0.000 0.000) 31.141 4.825 ( -23.431 0.000 0.000) 23.431 4.923 ( -17.997 0.000 0.000) 17.997 5.540 ( -17.856 0.000 0.000) 17.856 5.712 ( -14.955 0.000 0.000) 14.955 5.843 ( 5.918 -0.000 0.000) 5.918 6.205 ( -5.330 0.000 0.000) 5.330 6.246 ( 2.856 -0.000 0.000) 2.856 6.285 ( -5.154 0.000 0.000) 5.154 6.476 ( -6.243 0.000 0.000) 6.243 6.600 ( 28.037 -0.000 0.000) 28.037 6.748 ( -2.598 0.000 0.000) 2.598 7.233 ( 20.910 -0.000 0.000) 20.910 7.623 ( 9.660 -0.000 0.000) 9.660 8.480 ( -0.415 0.000 0.000) 0.415 8.693 ( 4.617 -0.000 0.000) 4.617 8.815 ( 9.341 -0.000 0.000) 9.341 9.250 ( 11.548 -0.000 0.000) 11.548 9.545 ( -21.510 0.000 0.000) 21.510 9.589 ( -4.985 0.000 0.000) 4.985 10.149 ( -2.848 0.000 0.000) 2.848 10.501 ( 6.537 -0.000 0.000) 6.537 10.653 ( 0.694 -0.000 0.000) 0.694 11.095 ( 3.476 -0.000 0.000) 3.476 11.179 ( 25.478 -0.000 0.000) 25.478 11.332 ( 5.656 -0.000 0.000) 5.656 11.546 ( -25.516 0.000 0.000) 25.516 11.661 ( 10.488 -0.000 0.000) 10.488 12.114 ( -14.543 0.000 0.000) 14.543 12.350 ( -21.171 0.000 0.000) 21.171 12.592 ( -4.544 0.000 0.000) 4.544 12.639 ( -1.314 0.000 0.000) 1.314 13.830 ( 9.105 -0.000 0.000) 9.105 14.307 ( -13.137 0.000 0.000) 13.137 14.346 ( 8.867 -0.000 0.000) 8.867 14.773 ( -7.276 0.000 0.000) 7.276 14.839 ( -6.848 0.000 0.000) 6.848 14.951 ( 18.120 -0.000 0.000) 18.120 15.093 ( -12.131 0.000 0.000) 12.131 15.155 ( -0.014 0.000 0.000) 0.014 15.585 ( 4.142 -0.000 0.000) 4.142 16.124 ( -0.100 0.000 0.000) 0.100 16.459 ( 26.839 -0.000 0.000) 26.839 16.805 ( -9.168 0.000 0.000) 9.168 16.951 ( -4.876 0.000 0.000) 4.876 18.199 ( 9.178 -0.000 0.000) 9.178 18.490 ( -19.457 0.000 0.000) 19.457 18.491 ( -3.823 0.000 0.000) 3.823 20.384 ( 6.969 -0.000 0.000) 6.969 20.419 ( 5.625 -0.000 0.000) 5.625 20.907 ( -1.810 0.000 0.000) 1.810 20.994 ( -5.868 0.000 0.000) 5.868 21.239 ( -1.652 0.000 0.000) 1.652 21.288 ( -1.795 0.000 0.000) 1.795 21.501 ( -3.024 0.000 0.000) 3.024 21.594 ( 7.254 -0.000 0.000) 7.254 21.768 ( 3.795 -0.000 0.000) 3.795 22.019 ( 4.556 -0.000 0.000) 4.556 22.027 ( 1.835 -0.000 0.000) 1.835 22.059 ( -2.730 0.000 0.000) 2.730 22.093 ( -1.680 0.000 0.000) 1.680 22.566 ( 1.174 -0.000 0.000) 1.174 22.608 ( 13.508 -0.000 0.000) 13.508 22.709 ( -7.008 0.000 0.000) 7.008 22.724 ( -2.344 0.000 0.000) 2.344 23.096 ( -2.963 0.000 0.000) 2.963 23.124 ( 9.321 -0.000 0.000) 9.321 23.491 ( 0.146 -0.000 0.000) 0.146 23.499 ( 5.424 -0.000 0.000) 5.424 23.904 ( 9.616 -0.000 0.000) 9.616 23.946 ( -4.294 0.000 0.000) 4.294 24.357 ( -1.926 0.000 0.000) 1.926 24.539 ( -19.569 0.000 0.000) 19.569 24.576 ( 2.724 -0.000 0.000) 2.724 25.600 ( 5.539 -0.000 0.000) 5.539 25.969 ( -17.034 0.000 0.000) 17.034 26.458 ( 7.312 -0.000 0.000) 7.312 27.234 ( -0.846 0.000 0.000) 0.846 27.376 ( 2.890 -0.000 0.000) 2.890 27.392 ( -1.933 0.000 0.000) 1.933 27.453 ( 1.124 -0.000 0.000) 1.124 27.718 ( -3.509 0.000 0.000) 3.509 27.984 ( -23.063 0.000 0.000) 23.063 28.478 ( 20.680 -0.000 0.000) 20.680 28.612 ( 14.854 -0.000 0.000) 14.854 29.255 ( -23.621 0.000 0.000) 23.621 29.384 ( 9.578 -0.000 0.000) 9.578 30.103 ( -3.877 0.000 0.000) 3.877 32.247 ( 4.922 -0.000 0.000) 4.922 32.341 ( -1.180 0.000 0.000) 1.180 32.682 ( 23.584 -0.000 0.000) 23.584 34.492 ( -7.527 0.000 0.000) 7.527 34.906 ( -9.242 0.000 0.000) 9.242 35.822 ( -5.955 0.000 0.000) 5.955 105.092 ( 0.069 -0.000 0.000) 0.069 105.113 ( -0.082 0.000 0.000) 0.082 106.996 ( -0.023 0.000 0.000) 0.023 107.087 ( 0.849 -0.000 0.000) 0.849 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 31.562 -15.316 0.000) 35.082 2.218 ( 35.202 -21.882 0.000) 41.448 4.025 ( -23.982 30.081 0.000) 38.471 4.189 ( -22.509 6.645 0.000) 23.470 4.422 ( 37.969 2.873 0.000) 38.078 4.562 ( 12.890 -2.030 0.000) 13.049 4.625 ( -22.332 -12.886 0.000) 25.783 5.393 ( -25.416 2.489 0.000) 25.538 5.405 ( 1.731 -2.739 0.000) 3.240 5.602 ( -17.446 32.672 0.000) 37.038 5.822 ( -14.270 -0.235 0.000) 14.272 6.186 ( -1.050 -5.752 0.000) 5.847 6.385 ( -5.433 -16.051 0.000) 16.945 6.665 ( 10.733 -0.003 0.000) 10.733 6.817 ( 9.669 -9.075 0.000) 13.260 7.044 ( 15.624 -7.823 0.000) 17.473 7.688 ( 32.395 -3.947 0.000) 32.634 7.972 ( 25.507 -3.169 0.000) 25.703 8.280 ( -13.941 10.095 0.000) 17.212 8.595 ( -14.744 3.136 0.000) 15.074 8.891 ( -8.086 1.911 0.000) 8.309 9.216 ( -9.482 0.648 0.000) 9.504 9.420 ( 10.072 -0.060 0.000) 10.072 9.521 ( -8.569 -6.815 0.000) 10.949 10.330 ( 20.582 -0.089 0.000) 20.582 10.426 ( -14.010 -2.909 0.000) 14.309 10.800 ( 22.601 7.798 0.000) 23.908 11.033 ( -18.150 7.502 0.000) 19.639 11.055 ( -10.635 5.708 0.000) 12.070 11.385 ( 11.913 11.219 0.000) 16.364 11.638 ( -11.173 -18.463 0.000) 21.581 11.834 ( -3.992 -8.988 0.000) 9.835 11.905 ( 9.606 -5.851 0.000) 11.247 12.032 ( -14.540 0.240 0.000) 14.542 12.615 ( 0.673 0.467 0.000) 0.819 12.641 ( 7.505 1.214 0.000) 7.602 13.699 ( -6.774 25.398 0.000) 26.286 14.256 ( -6.554 -19.623 0.000) 20.688 14.552 ( 8.412 -0.170 0.000) 8.413 14.635 ( -2.043 2.149 0.000) 2.965 14.734 ( -8.757 -5.649 0.000) 10.421 14.904 ( -7.553 -0.530 0.000) 7.572 15.145 ( 5.682 6.805 0.000) 8.866 15.205 ( 9.924 3.544 0.000) 10.537 15.732 ( 4.715 -10.820 0.000) 11.803 16.110 ( 1.754 0.951 0.000) 1.996 16.626 ( -8.705 5.245 0.000) 10.163 16.693 ( -4.288 3.772 0.000) 5.711 17.046 ( 19.485 -6.865 0.000) 20.659 18.051 ( -19.322 15.629 0.000) 24.851 18.412 ( 15.328 -1.135 0.000) 15.370 18.479 ( -8.554 -10.297 0.000) 13.387 20.472 ( 3.813 1.122 0.000) 3.975 20.494 ( 3.843 1.945 0.000) 4.307 20.860 ( -1.816 2.362 0.000) 2.979 20.956 ( -2.822 -7.018 0.000) 7.564 21.187 ( -2.140 1.268 0.000) 2.487 21.302 ( -5.029 -9.584 0.000) 10.823 21.439 ( -3.436 0.891 0.000) 3.550 21.703 ( 7.514 3.746 0.000) 8.396 21.823 ( 2.948 1.928 0.000) 3.523 21.949 ( -2.545 3.281 0.000) 4.152 22.056 ( 2.747 -2.768 0.000) 3.900 22.087 ( 3.710 3.595 0.000) 5.166 22.223 ( 5.743 -9.454 0.000) 11.062 22.523 ( -3.905 6.340 0.000) 7.446 22.579 ( -3.188 1.531 0.000) 3.537 22.689 ( -4.041 -3.375 0.000) 5.265 22.812 ( 6.658 -3.826 0.000) 7.680 23.048 ( -1.659 1.086 0.000) 1.983 23.372 ( 18.796 -0.344 0.000) 18.800 23.486 ( -0.382 0.302 0.000) 0.487 23.592 ( 4.956 0.002 0.000) 4.956 23.828 ( -10.353 1.119 0.000) 10.414 24.045 ( 7.293 1.632 0.000) 7.474 24.164 ( -17.255 -3.121 0.000) 17.535 24.322 ( -4.013 7.338 0.000) 8.364 24.743 ( 12.482 -4.505 0.000) 13.270 25.561 ( -7.200 10.335 0.000) 12.596 25.790 ( -6.189 -12.290 0.000) 13.760 26.581 ( 5.910 -0.639 0.000) 5.945 27.035 ( -6.572 18.230 0.000) 19.379 27.346 ( 0.230 -0.176 0.000) 0.289 27.431 ( -0.819 0.878 0.000) 1.201 27.522 ( -3.608 -8.604 0.000) 9.330 27.657 ( -13.409 -0.371 0.000) 13.414 27.777 ( 1.782 -14.148 0.000) 14.260 28.788 ( 21.882 9.036 0.000) 23.674 28.816 ( -19.330 4.981 0.000) 19.961 28.976 ( 16.782 -6.975 0.000) 18.173 29.477 ( -0.751 -2.128 0.000) 2.257 30.107 ( 3.244 -1.932 0.000) 3.776 32.301 ( 0.639 1.512 0.000) 1.642 32.337 ( 1.469 -1.812 0.000) 2.333 33.085 ( 21.815 -3.091 0.000) 22.033 34.271 ( -14.176 9.105 0.000) 16.848 34.769 ( -13.005 -11.075 0.000) 17.082 35.645 ( -5.329 12.458 0.000) 13.550 105.093 ( 0.169 0.183 0.000) 0.249 105.113 ( -0.103 -0.311 0.000) 0.327 107.002 ( -0.079 -1.024 0.000) 1.027 107.106 ( 1.341 0.113 0.000) 1.345 ======================= Grid point 10 (7/96) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 20.300 -18.917 0.000) 27.748 2.962 ( 23.725 -26.545 0.000) 35.602 3.338 ( -20.848 34.362 0.000) 40.192 3.752 ( -25.281 5.007 0.000) 25.772 4.095 ( -15.729 -0.865 0.000) 15.753 4.479 ( -20.210 -4.820 0.000) 20.777 4.711 ( -32.577 4.775 0.000) 32.925 5.246 ( 0.453 5.966 0.000) 5.983 5.363 ( 6.870 -5.030 0.000) 8.514 5.541 ( 4.438 -3.951 0.000) 5.942 5.771 ( 29.066 5.528 0.000) 29.587 6.342 ( 3.216 -2.847 0.000) 4.295 6.411 ( 8.436 -3.182 0.000) 9.016 6.721 ( -2.343 3.967 0.000) 4.607 7.085 ( 6.948 -9.696 0.000) 11.928 7.224 ( 1.685 -3.639 0.000) 4.010 7.932 ( -5.887 12.718 0.000) 14.014 8.172 ( -8.161 5.216 0.000) 9.686 8.288 ( 7.277 3.377 0.000) 8.023 8.395 ( 15.133 6.428 0.000) 16.442 8.739 ( 9.851 -8.264 0.000) 12.858 9.248 ( 9.503 2.362 0.000) 9.792 9.393 ( -9.001 -2.556 0.000) 9.357 9.618 ( 6.596 -4.817 0.000) 8.168 10.139 ( -22.456 -5.817 0.000) 23.198 10.485 ( -20.311 0.037 0.000) 20.311 10.755 ( 5.675 6.776 0.000) 8.839 10.926 ( 4.646 5.362 0.000) 7.095 11.096 ( 6.894 4.100 0.000) 8.021 11.244 ( -11.857 6.313 0.000) 13.433 11.586 ( 5.578 -13.977 0.000) 15.049 11.928 ( -1.521 -5.661 0.000) 5.861 11.984 ( -0.001 -6.631 0.000) 6.631 12.099 ( 9.491 0.356 0.000) 9.497 12.697 ( 4.360 0.179 0.000) 4.364 12.754 ( 5.513 -8.336 0.000) 9.994 13.298 ( -9.296 27.905 0.000) 29.413 14.307 ( -18.844 -15.319 0.000) 24.285 14.410 ( -0.518 -7.990 0.000) 8.006 14.782 ( -1.762 -2.061 0.000) 2.711 14.799 ( 12.263 4.922 0.000) 13.214 14.829 ( 0.705 -3.760 0.000) 3.825 15.158 ( 6.608 8.449 0.000) 10.726 15.296 ( 7.332 8.557 0.000) 11.269 15.833 ( -3.216 -6.967 0.000) 7.674 16.234 ( 7.359 -9.659 0.000) 12.143 16.390 ( -10.500 9.261 0.000) 14.000 16.554 ( -7.371 -0.478 0.000) 7.386 17.458 ( 16.731 -8.513 0.000) 18.772 17.600 ( -14.149 16.439 0.000) 21.690 18.388 ( -10.372 -4.682 0.000) 11.380 18.704 ( 18.556 1.111 0.000) 18.589 20.483 ( -0.759 4.153 0.000) 4.222 20.491 ( -0.900 0.726 0.000) 1.156 20.847 ( 1.951 0.859 0.000) 2.132 20.996 ( -0.803 -6.509 0.000) 6.559 21.137 ( -4.775 -3.321 0.000) 5.817 21.302 ( -4.897 -7.552 0.000) 9.001 21.389 ( -3.290 -2.751 0.000) 4.288 21.770 ( 7.033 6.714 0.000) 9.723 21.781 ( -4.033 0.810 0.000) 4.114 21.974 ( 6.802 3.861 0.000) 7.821 22.103 ( 2.234 3.212 0.000) 3.913 22.149 ( 4.397 -0.703 0.000) 4.452 22.307 ( -3.827 -2.593 0.000) 4.623 22.478 ( 4.517 1.363 0.000) 4.718 22.519 ( -1.653 2.478 0.000) 2.979 22.669 ( -2.514 -5.554 0.000) 6.097 22.921 ( 4.274 -0.799 0.000) 4.348 23.013 ( -2.300 0.254 0.000) 2.314 23.445 ( -8.295 2.812 0.000) 8.759 23.505 ( -7.157 2.650 0.000) 7.631 23.683 ( 2.050 1.788 0.000) 2.720 23.727 ( 14.512 -1.221 0.000) 14.564 23.957 ( -8.166 -3.786 0.000) 9.001 24.156 ( -6.487 2.823 0.000) 7.074 24.241 ( 11.047 -0.669 0.000) 11.068 24.949 ( 8.885 5.827 0.000) 10.625 25.416 ( 2.929 3.527 0.000) 4.585 25.857 ( -1.979 -12.608 0.000) 12.762 26.621 ( -3.398 0.811 0.000) 3.494 26.725 ( -13.705 6.629 0.000) 15.224 27.361 ( -0.422 -1.869 0.000) 1.916 27.401 ( -0.743 1.068 0.000) 1.302 27.491 ( -7.298 -10.125 0.000) 12.481 27.574 ( 2.754 2.593 0.000) 3.783 28.000 ( 3.787 -17.289 0.000) 17.698 28.459 ( -13.826 4.867 0.000) 14.658 29.034 ( 16.897 10.861 0.000) 20.087 29.240 ( 9.428 7.433 0.000) 12.006 29.529 ( 11.594 -2.054 0.000) 11.775 30.227 ( 11.339 2.779 0.000) 11.674 32.268 ( -3.052 -0.277 0.000) 3.065 32.388 ( 2.978 0.608 0.000) 3.039 33.314 ( -1.394 5.112 0.000) 5.299 33.985 ( -6.383 -0.196 0.000) 6.386 34.675 ( -17.503 -20.454 0.000) 26.921 35.448 ( -4.945 11.011 0.000) 12.070 105.094 ( 0.195 0.303 0.000) 0.361 105.116 ( 0.075 -0.335 0.000) 0.343 107.012 ( 0.248 -0.901 0.000) 0.934 107.126 ( 1.751 0.939 0.000) 1.987 ======================= Grid point 11 (8/96) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -17.174 43.116 0.000) 46.411 2.764 ( -20.788 37.525 0.000) 42.899 3.254 ( -44.780 -6.299 0.000) 45.221 3.493 ( 5.900 -17.331 0.000) 18.308 4.016 ( -3.486 -30.532 0.000) 30.730 4.162 ( 7.491 -22.288 0.000) 23.513 4.713 ( 1.514 -20.710 0.000) 20.766 5.217 ( 1.736 -3.699 0.000) 4.086 5.395 ( -2.596 -12.495 0.000) 12.762 5.756 ( 9.134 1.683 0.000) 9.288 6.069 ( 5.294 2.358 0.000) 5.796 6.188 ( -6.153 5.058 0.000) 7.965 6.502 ( -15.822 0.857 0.000) 15.845 6.859 ( 30.320 8.163 0.000) 31.400 7.167 ( 1.461 21.633 0.000) 21.682 7.208 ( 5.307 6.472 0.000) 8.369 7.859 ( 6.568 1.400 0.000) 6.715 7.973 ( -9.474 10.480 0.000) 14.128 8.113 ( 5.169 -0.969 0.000) 5.259 8.718 ( 13.358 9.615 0.000) 16.459 8.866 ( -14.926 2.464 0.000) 15.128 9.296 ( -10.718 4.272 0.000) 11.538 9.473 ( 22.301 0.174 0.000) 22.301 9.765 ( 1.035 -16.498 0.000) 16.530 9.951 ( 2.185 -6.952 0.000) 7.287 10.214 ( -5.743 4.368 0.000) 7.215 10.554 ( -29.403 -7.986 0.000) 30.469 10.732 ( -12.982 4.016 0.000) 13.588 11.104 ( 6.870 2.760 0.000) 7.404 11.432 ( 16.075 -8.015 0.000) 17.962 11.822 ( 8.138 -0.703 0.000) 8.169 11.908 ( -11.555 -6.829 0.000) 13.423 12.159 ( 17.478 -9.655 0.000) 19.968 12.247 ( 11.392 1.920 0.000) 11.553 12.583 ( -6.298 14.876 0.000) 16.154 12.860 ( -6.307 21.477 0.000) 22.384 13.058 ( 1.953 -18.635 0.000) 18.737 14.222 ( -7.311 -19.850 0.000) 21.153 14.508 ( -4.102 -7.547 0.000) 8.590 14.641 ( -10.267 -1.984 0.000) 10.457 14.875 ( 3.305 4.094 0.000) 5.261 14.977 ( 10.804 2.272 0.000) 11.041 15.203 ( 2.358 6.341 0.000) 6.765 15.301 ( 11.247 14.876 0.000) 18.650 15.804 ( -5.153 -3.524 0.000) 6.243 16.108 ( -8.758 12.432 0.000) 15.207 16.444 ( -9.901 -4.414 0.000) 10.841 16.507 ( 7.813 -12.811 0.000) 15.005 17.228 ( -6.499 15.905 0.000) 17.182 17.824 ( 10.423 -14.183 0.000) 17.601 18.248 ( -8.375 -0.090 0.000) 8.376 18.957 ( 15.201 6.274 0.000) 16.444 20.407 ( -3.697 2.784 0.000) 4.628 20.444 ( -2.995 2.346 0.000) 3.804 20.894 ( 4.329 0.281 0.000) 4.339 21.029 ( -1.536 -3.879 0.000) 4.172 21.117 ( -2.530 -5.028 0.000) 5.629 21.288 ( -3.469 -5.478 0.000) 6.484 21.389 ( -3.511 -8.763 0.000) 9.440 21.715 ( -2.336 2.045 0.000) 3.104 21.830 ( 8.810 7.015 0.000) 11.262 22.031 ( 3.788 3.325 0.000) 5.041 22.068 ( -4.594 1.495 0.000) 4.831 22.159 ( 2.678 5.637 0.000) 6.240 22.325 ( 0.372 -3.278 0.000) 3.299 22.446 ( -2.753 3.529 0.000) 4.475 22.534 ( 1.951 -2.051 0.000) 2.831 22.736 ( 3.662 -3.639 0.000) 5.163 22.911 ( -3.982 5.758 0.000) 7.001 23.006 ( 2.977 0.485 0.000) 3.016 23.193 ( -10.930 1.499 0.000) 11.033 23.469 ( -0.966 -0.589 0.000) 1.131 23.670 ( -1.305 4.978 0.000) 5.146 23.817 ( -9.993 -2.783 0.000) 10.373 23.904 ( 4.606 -0.516 0.000) 4.635 24.190 ( 9.978 -3.820 0.000) 10.684 24.487 ( 15.666 -2.681 0.000) 15.894 24.932 ( 5.039 15.171 0.000) 15.986 25.502 ( 1.318 -0.949 0.000) 1.624 25.976 ( 5.397 -8.692 0.000) 10.231 26.393 ( -16.724 -4.066 0.000) 17.212 26.576 ( -8.905 -1.611 0.000) 9.049 27.351 ( -2.505 -2.362 0.000) 3.443 27.402 ( 1.827 1.934 0.000) 2.660 27.532 ( -2.165 -12.890 0.000) 13.071 27.626 ( 5.148 0.398 0.000) 5.163 28.042 ( -9.237 -1.102 0.000) 9.303 28.445 ( 5.651 -14.950 0.000) 15.983 28.989 ( -6.668 7.953 0.000) 10.378 29.419 ( 26.718 18.452 0.000) 32.470 29.798 ( 25.199 12.654 0.000) 28.198 30.421 ( 19.042 9.817 0.000) 21.423 32.213 ( -4.011 -0.559 0.000) 4.050 32.415 ( 1.815 2.050 0.000) 2.738 32.923 ( -26.519 12.574 0.000) 29.349 34.104 ( 0.851 -18.373 0.000) 18.393 34.546 ( -26.319 -26.793 0.000) 37.557 35.281 ( -4.284 8.020 0.000) 9.093 105.094 ( 0.144 0.298 0.000) 0.331 105.122 ( 0.406 -0.240 0.000) 0.472 107.028 ( 0.704 -0.862 0.000) 1.113 107.146 ( 2.463 2.125 0.000) 3.253 ======================= Grid point 12 (9/96) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -17.704 50.875 0.000) 53.867 1.929 ( -37.502 41.384 0.000) 55.849 2.111 ( -43.487 44.642 0.000) 62.322 4.002 ( 11.222 -37.087 0.000) 38.748 4.450 ( 11.603 -37.705 0.000) 39.450 4.707 ( 10.453 -49.103 0.000) 50.204 4.981 ( 3.999 -23.060 0.000) 23.404 5.332 ( 4.238 -3.112 0.000) 5.258 5.524 ( -3.078 -16.278 0.000) 16.567 5.684 ( -13.095 -5.667 0.000) 14.269 5.942 ( -3.468 7.216 0.000) 8.006 6.143 ( -7.929 -8.683 0.000) 11.758 6.471 ( 17.896 12.585 0.000) 21.877 6.811 ( -1.989 38.109 0.000) 38.161 7.027 ( 2.756 14.288 0.000) 14.551 7.234 ( 10.584 19.462 0.000) 22.154 7.709 ( -5.949 18.696 0.000) 19.619 8.146 ( 18.161 9.039 0.000) 20.286 8.267 ( 6.882 7.151 0.000) 9.924 8.490 ( -15.653 -1.854 0.000) 15.762 8.660 ( -4.564 6.400 0.000) 7.861 9.030 ( -10.154 -0.909 0.000) 10.194 9.763 ( 12.950 -2.667 0.000) 13.222 9.922 ( -0.923 -15.476 0.000) 15.504 10.060 ( -6.852 2.204 0.000) 7.198 10.123 ( -25.680 -14.211 0.000) 29.350 10.350 ( 17.921 -1.803 0.000) 18.011 10.597 ( 0.702 2.837 0.000) 2.922 11.264 ( 10.558 -2.443 0.000) 10.837 11.541 ( -8.373 1.739 0.000) 8.552 11.746 ( -13.500 -5.469 0.000) 14.565 12.039 ( 17.452 4.223 0.000) 17.956 12.245 ( -1.252 8.145 0.000) 8.241 12.493 ( -6.069 9.094 0.000) 10.933 12.527 ( 15.049 -4.221 0.000) 15.630 12.649 ( 12.438 -6.816 0.000) 14.183 13.239 ( -6.985 -20.332 0.000) 21.498 14.348 ( -5.586 -14.612 0.000) 15.643 14.395 ( -6.441 -4.661 0.000) 7.950 14.566 ( -7.044 -6.870 0.000) 9.839 14.863 ( 1.138 4.464 0.000) 4.606 15.040 ( 2.895 17.232 0.000) 17.474 15.152 ( 7.163 3.820 0.000) 8.118 15.431 ( 10.480 2.001 0.000) 10.669 15.734 ( -6.629 -0.769 0.000) 6.673 15.863 ( -5.896 13.607 0.000) 14.830 16.215 ( -14.771 7.194 0.000) 16.430 16.735 ( 4.707 -11.216 0.000) 12.163 17.105 ( 2.267 5.993 0.000) 6.408 18.071 ( 2.591 -13.010 0.000) 13.266 18.154 ( -3.182 -4.076 0.000) 5.171 19.059 ( 7.198 11.155 0.000) 13.276 20.320 ( -3.531 2.523 0.000) 4.339 20.373 ( -1.618 3.267 0.000) 3.645 20.975 ( 4.615 -0.305 0.000) 4.625 21.028 ( -3.063 -4.178 0.000) 5.181 21.108 ( -0.964 1.124 0.000) 1.481 21.313 ( -2.065 -8.495 0.000) 8.742 21.447 ( -0.631 -11.739 0.000) 11.756 21.662 ( -1.359 3.057 0.000) 3.345 21.910 ( 3.631 5.594 0.000) 6.670 21.989 ( -0.013 -0.600 0.000) 0.600 22.036 ( 1.341 4.684 0.000) 4.872 22.155 ( 1.089 0.674 0.000) 1.281 22.287 ( -5.616 -1.574 0.000) 5.833 22.436 ( 9.413 7.088 0.000) 11.783 22.617 ( 2.955 -3.987 0.000) 4.963 22.767 ( -1.065 9.520 0.000) 9.579 22.813 ( 0.519 -1.080 0.000) 1.198 23.021 ( -4.338 -1.922 0.000) 4.745 23.088 ( 0.065 2.142 0.000) 2.143 23.459 ( -1.762 -0.812 0.000) 1.940 23.527 ( -6.829 2.970 0.000) 7.447 23.811 ( 3.937 -2.448 0.000) 4.636 23.949 ( -0.747 -3.292 0.000) 3.376 24.430 ( 17.276 2.046 0.000) 17.397 24.754 ( 11.291 -3.513 0.000) 11.825 24.892 ( 8.437 15.368 0.000) 17.532 25.393 ( -13.679 -0.325 0.000) 13.683 26.091 ( -4.210 -2.736 0.000) 5.020 26.312 ( -2.382 -16.886 0.000) 17.054 26.420 ( -9.555 0.891 0.000) 9.596 27.340 ( -1.757 -2.964 0.000) 3.446 27.404 ( 1.162 3.048 0.000) 3.262 27.632 ( -1.323 -13.313 0.000) 13.379 27.723 ( 5.493 -1.303 0.000) 5.646 27.907 ( -6.956 -1.614 0.000) 7.141 28.686 ( 4.367 -7.019 0.000) 8.267 28.824 ( -4.408 -1.017 0.000) 4.524 29.617 ( 11.481 9.463 0.000) 14.878 30.289 ( 68.481 34.887 0.000) 76.855 30.623 ( 25.523 23.207 0.000) 34.496 32.139 ( -6.329 -0.301 0.000) 6.336 32.409 ( -1.139 3.087 0.000) 3.290 32.426 ( -17.273 4.788 0.000) 17.924 33.957 ( -73.499 -50.239 0.000) 89.028 34.444 ( -0.784 -9.207 0.000) 9.240 35.165 ( -1.489 6.223 0.000) 6.399 105.094 ( 0.088 0.213 0.000) 0.231 105.134 ( 0.757 -0.145 0.000) 0.770 107.049 ( 0.702 -1.016 0.000) 1.235 107.175 ( 4.297 2.832 0.000) 5.146 ======================= Grid point 13 (10/96) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 47.877 0.000) 47.877 1.084 ( 0.000 57.076 0.000) 57.076 1.284 ( 0.000 66.875 0.000) 66.875 4.479 ( -0.000 -41.697 0.000) 41.697 5.000 ( -0.000 -36.540 0.000) 36.540 5.191 ( -0.000 -15.693 0.000) 15.693 5.315 ( -0.000 -55.099 0.000) 55.099 5.325 ( 0.000 0.887 0.000) 0.887 5.435 ( -0.000 -3.280 0.000) 3.280 5.796 ( -0.000 -11.084 0.000) 11.084 5.880 ( -0.000 -2.919 0.000) 2.919 6.178 ( -0.000 -10.087 0.000) 10.087 6.395 ( 0.000 39.697 0.000) 39.697 6.561 ( 0.000 10.014 0.000) 10.014 6.916 ( 0.000 13.020 0.000) 13.020 7.240 ( 0.000 24.701 0.000) 24.701 7.301 ( 0.000 17.853 0.000) 17.853 7.876 ( 0.000 56.321 0.000) 56.321 8.169 ( 0.000 4.348 0.000) 4.348 8.565 ( -0.000 -17.858 0.000) 17.858 8.720 ( -0.000 -5.571 0.000) 5.571 9.025 ( -0.000 -4.195 0.000) 4.195 9.850 ( 0.000 11.245 0.000) 11.245 9.933 ( -0.000 -19.575 0.000) 19.575 10.021 ( -0.000 -3.913 0.000) 3.913 10.160 ( -0.000 -27.186 0.000) 27.186 10.542 ( 0.000 0.371 0.000) 0.371 10.586 ( 0.000 5.868 0.000) 5.868 11.324 ( 0.000 10.525 0.000) 10.525 11.412 ( 0.000 7.076 0.000) 7.076 11.584 ( 0.000 8.563 0.000) 8.563 12.085 ( -0.000 -6.405 0.000) 6.405 12.281 ( 0.000 11.463 0.000) 11.463 12.358 ( -0.000 -2.629 0.000) 2.629 12.844 ( -0.000 -12.256 0.000) 12.256 12.920 ( -0.000 -20.842 0.000) 20.842 13.245 ( -0.000 -9.071 0.000) 9.071 14.274 ( 0.000 3.738 0.000) 3.738 14.448 ( -0.000 -10.762 0.000) 10.762 14.511 ( 0.000 4.469 0.000) 4.469 14.850 ( 0.000 2.125 0.000) 2.125 14.995 ( -0.000 -0.482 0.000) 0.482 15.190 ( 0.000 4.099 0.000) 4.099 15.530 ( -0.000 -0.714 0.000) 0.714 15.604 ( 0.000 6.804 0.000) 6.804 15.712 ( 0.000 8.847 0.000) 8.847 15.929 ( 0.000 16.327 0.000) 16.327 16.868 ( -0.000 -9.161 0.000) 9.161 17.100 ( 0.000 2.287 0.000) 2.287 18.098 ( 0.000 0.415 0.000) 0.415 18.287 ( -0.000 -18.603 0.000) 18.603 18.996 ( 0.000 13.553 0.000) 13.553 20.266 ( 0.000 2.041 0.000) 2.041 20.334 ( 0.000 2.723 0.000) 2.723 21.002 ( 0.000 4.253 0.000) 4.253 21.023 ( -0.000 -3.404 0.000) 3.404 21.102 ( -0.000 -1.678 0.000) 1.678 21.368 ( -0.000 -7.433 0.000) 7.433 21.573 ( -0.000 -12.920 0.000) 12.920 21.613 ( 0.000 4.133 0.000) 4.133 21.866 ( 0.000 1.941 0.000) 1.941 21.991 ( 0.000 5.765 0.000) 5.765 22.032 ( -0.000 -0.575 0.000) 0.575 22.189 ( -0.000 -4.584 0.000) 4.584 22.257 ( 0.000 1.227 0.000) 1.227 22.568 ( 0.000 2.274 0.000) 2.274 22.626 ( 0.000 0.329 0.000) 0.329 22.751 ( 0.000 3.620 0.000) 3.620 22.795 ( -0.000 -2.358 0.000) 2.358 22.945 ( 0.000 0.080 0.000) 0.080 23.077 ( 0.000 3.175 0.000) 3.175 23.409 ( 0.000 1.385 0.000) 1.385 23.481 ( -0.000 -0.055 0.000) 0.055 23.933 ( -0.000 -1.376 0.000) 1.376 23.941 ( -0.000 -5.647 0.000) 5.647 24.646 ( -0.000 -0.203 0.000) 0.203 24.918 ( 0.000 4.947 0.000) 4.947 24.920 ( -0.000 -1.324 0.000) 1.324 25.105 ( 0.000 7.229 0.000) 7.229 26.033 ( -0.000 -6.019 0.000) 6.019 26.268 ( 0.000 5.366 0.000) 5.366 26.463 ( -0.000 -9.625 0.000) 9.625 27.352 ( -0.000 -2.808 0.000) 2.808 27.386 ( 0.000 2.642 0.000) 2.642 27.711 ( -0.000 -3.964 0.000) 3.964 27.841 ( -0.000 -4.311 0.000) 4.311 27.848 ( -0.000 -8.918 0.000) 8.918 28.629 ( 0.000 12.340 0.000) 12.340 28.927 ( -0.000 -13.732 0.000) 13.732 29.659 ( 0.000 0.235 0.000) 0.235 30.502 ( 0.000 22.582 0.000) 22.582 32.009 ( -0.000 -4.765 0.000) 4.765 32.056 ( -0.000 -0.858 0.000) 0.858 32.215 ( -0.000 -2.836 0.000) 2.836 32.346 ( 0.000 4.043 0.000) 4.043 32.488 ( 0.000 1.094 0.000) 1.094 34.531 ( -0.000 -6.751 0.000) 6.751 35.107 ( 0.000 4.856 0.000) 4.856 105.093 ( 0.000 0.122 0.000) 0.122 105.147 ( -0.000 -0.431 0.000) 0.431 107.065 ( -0.000 -0.931 0.000) 0.931 107.223 ( 0.000 0.082 0.000) 0.082 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 21.870 -0.000 0.000) 21.870 2.655 ( 29.625 -0.000 0.000) 29.625 3.736 ( -21.509 0.000 0.000) 21.509 4.014 ( -17.156 0.000 0.000) 17.156 4.088 ( -27.346 0.000 0.000) 27.346 4.123 ( -18.626 0.000 0.000) 18.626 4.939 ( -29.147 0.000 0.000) 29.147 5.182 ( -40.338 0.000 0.000) 40.338 5.350 ( -1.400 0.000 0.000) 1.400 5.518 ( 40.964 -0.000 0.000) 40.964 5.919 ( 14.254 -0.000 0.000) 14.254 6.215 ( 14.320 -0.000 0.000) 14.320 6.368 ( 13.294 -0.000 0.000) 13.294 6.810 ( -6.322 0.000 0.000) 6.322 6.934 ( 11.025 -0.000 0.000) 11.025 7.162 ( 9.760 -0.000 0.000) 9.760 8.111 ( -10.318 0.000 0.000) 10.318 8.207 ( -9.244 0.000 0.000) 9.244 8.328 ( 42.224 -0.000 0.000) 42.224 8.519 ( 20.447 -0.000 0.000) 20.447 8.596 ( -22.712 0.000 0.000) 22.712 9.279 ( 13.172 -0.000 0.000) 13.172 9.352 ( -7.053 0.000 0.000) 7.053 9.559 ( 3.301 -0.000 0.000) 3.301 10.084 ( -21.434 0.000 0.000) 21.434 10.486 ( -17.525 0.000 0.000) 17.525 10.811 ( 6.809 -0.000 0.000) 6.809 11.039 ( -8.572 0.000 0.000) 8.572 11.156 ( -16.726 0.000 0.000) 16.726 11.311 ( 17.333 -0.000 0.000) 17.333 11.434 ( -1.601 0.000 0.000) 1.601 11.811 ( -3.991 0.000 0.000) 3.991 11.956 ( 4.931 -0.000 0.000) 4.931 12.056 ( 14.668 -0.000 0.000) 14.668 12.576 ( -3.672 0.000 0.000) 3.672 12.814 ( 11.628 -0.000 0.000) 11.628 13.710 ( -11.156 0.000 0.000) 11.156 14.003 ( -10.607 0.000 0.000) 10.607 14.341 ( -14.316 0.000 0.000) 14.316 14.771 ( 10.062 -0.000 0.000) 10.062 14.778 ( -8.879 0.000 0.000) 8.879 14.851 ( 15.625 -0.000 0.000) 15.625 15.221 ( 1.136 -0.000 0.000) 1.136 15.443 ( 16.409 -0.000 0.000) 16.409 15.721 ( -0.861 0.000 0.000) 0.861 16.129 ( 2.335 -0.000 0.000) 2.335 16.501 ( -9.187 0.000 0.000) 9.187 16.543 ( -12.455 0.000 0.000) 12.455 17.368 ( 18.950 -0.000 0.000) 18.950 17.808 ( -17.792 0.000 0.000) 17.792 18.309 ( -6.458 0.000 0.000) 6.458 18.711 ( 19.942 -0.000 0.000) 19.942 20.499 ( -0.865 0.000 0.000) 0.865 20.551 ( 0.480 -0.000 0.000) 0.480 20.857 ( -1.108 0.000 0.000) 1.108 20.891 ( 1.542 -0.000 0.000) 1.542 21.112 ( -6.915 0.000 0.000) 6.915 21.197 ( -3.132 0.000 0.000) 3.132 21.383 ( -3.484 0.000 0.000) 3.484 21.790 ( -3.547 0.000 0.000) 3.547 21.829 ( 5.144 -0.000 0.000) 5.144 22.035 ( 6.036 -0.000 0.000) 6.036 22.104 ( 5.722 -0.000 0.000) 5.722 22.165 ( -0.811 0.000 0.000) 0.811 22.273 ( 6.419 -0.000 0.000) 6.419 22.525 ( 2.323 -0.000 0.000) 2.323 22.528 ( -2.731 0.000 0.000) 2.731 22.593 ( -5.349 0.000 0.000) 5.349 22.909 ( 7.190 -0.000 0.000) 7.190 23.014 ( -2.930 0.000 0.000) 2.930 23.468 ( -2.910 0.000 0.000) 2.910 23.570 ( -18.865 0.000 0.000) 18.865 23.631 ( 7.028 -0.000 0.000) 7.028 23.763 ( 19.014 -0.000 0.000) 19.014 23.913 ( -9.096 0.000 0.000) 9.096 24.207 ( -13.744 0.000 0.000) 13.744 24.217 ( 11.461 -0.000 0.000) 11.461 25.017 ( 20.678 -0.000 0.000) 20.678 25.535 ( -2.577 0.000 0.000) 2.577 25.630 ( -3.970 0.000 0.000) 3.970 26.624 ( -0.858 0.000 0.000) 0.858 26.845 ( -24.338 0.000 0.000) 24.338 27.314 ( -2.309 0.000 0.000) 2.309 27.368 ( -4.378 0.000 0.000) 4.378 27.412 ( -0.667 0.000 0.000) 0.667 27.623 ( 4.177 -0.000 0.000) 4.177 27.811 ( 6.668 -0.000 0.000) 6.668 28.500 ( -18.538 0.000 0.000) 18.538 29.139 ( 7.393 -0.000 0.000) 7.393 29.361 ( 33.562 -0.000 0.000) 33.562 29.470 ( 5.297 -0.000 0.000) 5.297 30.256 ( 14.459 -0.000 0.000) 14.459 32.266 ( -3.325 0.000 0.000) 3.325 32.393 ( 3.775 -0.000 0.000) 3.775 33.360 ( 10.845 -0.000 0.000) 10.845 34.023 ( -22.857 0.000 0.000) 22.857 34.437 ( -17.259 0.000 0.000) 17.259 35.564 ( -9.014 0.000 0.000) 9.014 105.099 ( 0.383 -0.000 0.000) 0.383 105.110 ( -0.071 0.000 0.000) 0.071 107.001 ( 0.435 -0.000 0.000) 0.435 107.136 ( 2.126 -0.000 0.000) 2.126 ======================= Grid point 17 (12/96) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 12.030 -15.324 0.000) 19.482 3.126 ( 17.414 -11.347 0.000) 20.785 3.338 ( -20.322 24.223 0.000) 31.619 3.441 ( -19.999 30.702 0.000) 36.642 3.743 ( -13.579 -13.191 0.000) 18.931 4.134 ( -13.825 -14.431 0.000) 19.985 4.279 ( -26.514 8.999 0.000) 28.000 4.819 ( -22.173 -28.652 0.000) 36.230 5.391 ( 7.013 2.298 0.000) 7.380 5.779 ( 0.841 0.591 0.000) 1.028 6.102 ( -0.741 1.453 0.000) 1.631 6.228 ( -7.673 -0.576 0.000) 7.695 6.590 ( -1.423 5.834 0.000) 6.005 6.971 ( 43.502 3.481 0.000) 43.641 7.180 ( 15.553 -4.478 0.000) 16.185 7.402 ( 15.394 1.552 0.000) 15.472 7.925 ( -7.756 7.646 0.000) 10.891 8.063 ( -1.646 -1.402 0.000) 2.162 8.235 ( -11.076 10.623 0.000) 15.347 8.842 ( 3.914 -3.251 0.000) 5.088 8.900 ( 19.590 4.895 0.000) 20.193 9.354 ( -12.003 0.910 0.000) 12.038 9.433 ( 12.793 -5.791 0.000) 14.042 9.597 ( 10.229 3.570 0.000) 10.834 9.808 ( -2.877 -7.407 0.000) 7.946 10.296 ( -3.226 2.094 0.000) 3.846 10.442 ( -32.511 -2.843 0.000) 32.635 10.854 ( -12.108 5.568 0.000) 13.326 11.051 ( -17.356 -3.423 0.000) 17.690 11.402 ( 24.376 1.806 0.000) 24.443 11.663 ( -17.071 -9.525 0.000) 19.548 11.882 ( 26.452 -1.244 0.000) 26.482 12.052 ( 7.966 1.785 0.000) 8.164 12.268 ( 7.695 2.424 0.000) 8.068 12.590 ( -1.117 -17.051 0.000) 17.087 12.935 ( 6.733 13.443 0.000) 15.035 13.390 ( -9.931 22.787 0.000) 24.857 13.838 ( -17.174 -19.565 0.000) 26.034 14.301 ( -1.212 -9.802 0.000) 9.876 14.582 ( -15.184 -2.354 0.000) 15.366 14.915 ( 6.880 0.265 0.000) 6.885 15.084 ( 14.397 5.725 0.000) 15.493 15.262 ( 5.483 0.817 0.000) 5.543 15.588 ( 2.825 12.116 0.000) 12.441 15.761 ( 6.837 -2.114 0.000) 7.156 16.221 ( 1.599 -7.509 0.000) 7.677 16.307 ( -6.760 4.418 0.000) 8.075 16.394 ( -7.732 -3.800 0.000) 8.615 17.509 ( -9.257 10.807 0.000) 14.230 17.630 ( 7.633 -6.006 0.000) 9.712 18.219 ( -6.290 -2.129 0.000) 6.640 19.027 ( 17.914 1.598 0.000) 17.985 20.458 ( -2.993 1.379 0.000) 3.296 20.505 ( -2.456 3.930 0.000) 4.635 20.889 ( 2.488 -2.309 0.000) 3.394 20.932 ( -0.770 -4.139 0.000) 4.210 21.016 ( -3.280 -2.260 0.000) 3.983 21.174 ( -2.936 -5.032 0.000) 5.826 21.328 ( -3.273 0.082 0.000) 3.274 21.744 ( -1.676 0.843 0.000) 1.876 21.891 ( 3.734 0.875 0.000) 3.835 22.076 ( -2.409 0.703 0.000) 2.509 22.123 ( 2.562 4.212 0.000) 4.930 22.225 ( 3.082 -2.724 0.000) 4.113 22.283 ( -2.144 2.538 0.000) 3.322 22.482 ( -5.534 0.362 0.000) 5.546 22.536 ( 3.765 1.269 0.000) 3.973 22.661 ( 8.661 -3.274 0.000) 9.259 22.955 ( -3.601 0.154 0.000) 3.604 23.033 ( 7.967 1.370 0.000) 8.083 23.234 ( -15.102 1.941 0.000) 15.226 23.461 ( -1.566 -0.207 0.000) 1.579 23.695 ( 1.122 -0.815 0.000) 1.387 23.778 ( -10.958 -1.250 0.000) 11.029 23.950 ( -6.291 3.731 0.000) 7.314 24.126 ( 18.067 -2.795 0.000) 18.282 24.436 ( 13.564 -1.912 0.000) 13.698 25.253 ( 12.610 16.789 0.000) 20.997 25.504 ( 0.794 1.340 0.000) 1.557 25.702 ( 3.413 -17.151 0.000) 17.488 26.408 ( -23.878 2.718 0.000) 24.032 26.562 ( -6.860 -0.656 0.000) 6.891 27.313 ( -3.267 -4.105 0.000) 5.246 27.325 ( -1.012 -3.825 0.000) 3.956 27.427 ( 2.187 0.234 0.000) 2.199 27.676 ( 4.551 4.079 0.000) 6.112 27.946 ( 2.021 -7.266 0.000) 7.542 28.272 ( -8.053 -2.995 0.000) 8.592 29.095 ( -6.567 2.898 0.000) 7.179 29.646 ( 16.460 5.978 0.000) 17.511 29.969 ( 41.651 4.673 0.000) 41.913 30.559 ( 24.749 4.087 0.000) 25.084 32.208 ( -3.734 -0.113 0.000) 3.735 32.442 ( 2.480 0.755 0.000) 2.592 33.203 ( -24.868 15.931 0.000) 29.533 33.688 ( -26.703 -21.308 0.000) 34.162 34.264 ( -6.674 -5.760 0.000) 8.816 35.403 ( -7.545 3.728 0.000) 8.416 105.102 ( 0.246 0.541 0.000) 0.594 105.114 ( 0.219 -0.582 0.000) 0.622 107.013 ( 0.645 -0.506 0.000) 0.820 107.171 ( 2.458 0.628 0.000) 2.537 ======================= Grid point 18 (13/96) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -36.312 30.101 0.000) 47.166 2.737 ( -10.373 50.076 0.000) 51.139 3.005 ( 3.706 27.664 0.000) 27.911 3.449 ( -0.009 -10.597 0.000) 10.597 3.658 ( -3.522 -27.166 0.000) 27.393 4.016 ( 4.430 -32.319 0.000) 32.621 4.419 ( -3.450 -35.630 0.000) 35.797 4.891 ( -6.871 -34.256 0.000) 34.939 5.479 ( 4.620 2.890 0.000) 5.449 5.653 ( -13.813 0.526 0.000) 13.823 5.922 ( -12.519 -6.843 0.000) 14.267 6.118 ( -2.551 3.700 0.000) 4.494 6.730 ( 20.741 14.230 0.000) 25.153 7.292 ( 8.009 12.677 0.000) 14.995 7.432 ( 8.007 23.781 0.000) 25.093 7.572 ( 17.717 13.895 0.000) 22.516 7.863 ( 3.401 -15.261 0.000) 15.635 8.041 ( 1.433 15.772 0.000) 15.837 8.257 ( 12.182 -8.563 0.000) 14.890 8.615 ( -13.047 6.264 0.000) 14.473 8.923 ( -11.738 6.368 0.000) 13.354 9.067 ( -11.078 3.280 0.000) 11.553 9.585 ( 8.730 -8.051 0.000) 11.875 9.813 ( -3.321 0.279 0.000) 3.333 9.883 ( -15.152 -1.002 0.000) 15.186 10.232 ( 0.475 0.835 0.000) 0.961 10.309 ( 21.932 3.299 0.000) 22.179 10.630 ( -1.489 1.008 0.000) 1.798 10.994 ( -6.186 -19.436 0.000) 20.397 11.471 ( -20.314 -17.518 0.000) 26.825 11.660 ( 11.502 9.601 0.000) 14.982 12.105 ( 11.853 5.534 0.000) 13.081 12.286 ( 1.628 -14.085 0.000) 14.179 12.384 ( 13.511 -3.901 0.000) 14.062 12.681 ( -3.208 21.879 0.000) 22.113 12.827 ( -1.750 -12.872 0.000) 12.991 13.047 ( -5.215 21.549 0.000) 22.171 13.910 ( -3.599 -27.166 0.000) 27.404 14.291 ( -9.462 -6.017 0.000) 11.213 14.442 ( -6.354 -7.809 0.000) 10.068 14.967 ( 2.658 5.118 0.000) 5.767 15.226 ( 10.565 6.445 0.000) 12.376 15.344 ( 4.067 8.392 0.000) 9.326 15.471 ( -1.011 3.520 0.000) 3.663 15.811 ( 1.061 6.683 0.000) 6.767 16.084 ( -5.238 9.903 0.000) 11.203 16.277 ( -5.594 -0.487 0.000) 5.615 16.494 ( 5.884 -12.827 0.000) 14.112 17.295 ( -2.316 12.011 0.000) 12.232 17.792 ( 1.714 -12.345 0.000) 12.463 18.145 ( -3.869 -0.464 0.000) 3.896 19.221 ( 9.133 5.852 0.000) 10.847 20.384 ( -2.493 3.820 0.000) 4.562 20.435 ( -1.635 3.158 0.000) 3.556 20.892 ( -3.546 -5.345 0.000) 6.414 20.999 ( 4.250 -2.266 0.000) 4.816 21.068 ( 2.241 -5.099 0.000) 5.569 21.181 ( -2.789 -5.796 0.000) 6.432 21.282 ( -2.961 -2.843 0.000) 4.105 21.712 ( -0.804 1.958 0.000) 2.117 21.954 ( 4.058 -0.289 0.000) 4.069 21.998 ( -4.505 1.606 0.000) 4.783 22.118 ( -0.378 3.370 0.000) 3.391 22.157 ( -5.463 0.759 0.000) 5.516 22.268 ( -2.297 -1.562 0.000) 2.778 22.489 ( 7.019 0.125 0.000) 7.020 22.598 ( 4.041 1.152 0.000) 4.202 22.794 ( 4.408 -0.000 0.000) 4.408 22.908 ( -0.774 3.539 0.000) 3.623 23.002 ( -9.128 0.800 0.000) 9.163 23.143 ( 4.962 3.118 0.000) 5.861 23.443 ( -1.476 -0.881 0.000) 1.719 23.562 ( -10.384 0.692 0.000) 10.407 23.739 ( 1.020 -4.048 0.000) 4.175 23.895 ( -1.520 -2.005 0.000) 2.516 24.456 ( 18.625 0.810 0.000) 18.643 24.679 ( 12.774 -3.603 0.000) 13.272 25.192 ( 0.187 14.346 0.000) 14.348 25.442 ( -4.045 5.985 0.000) 7.224 25.994 ( 8.972 -16.134 0.000) 18.461 26.062 ( -16.548 -1.572 0.000) 16.622 26.444 ( -6.726 0.934 0.000) 6.790 27.292 ( -1.797 -1.978 0.000) 2.672 27.386 ( -0.928 -10.400 0.000) 10.442 27.456 ( 1.885 1.803 0.000) 2.609 27.714 ( 3.928 1.676 0.000) 4.271 27.920 ( -5.594 0.764 0.000) 5.646 28.358 ( 2.851 -16.932 0.000) 17.170 28.950 ( -5.025 5.950 0.000) 7.788 29.794 ( 8.549 7.864 0.000) 11.616 30.676 ( 51.315 11.431 0.000) 52.572 30.982 ( 38.915 12.495 0.000) 40.872 32.141 ( -5.151 0.306 0.000) 5.160 32.457 ( 0.666 1.896 0.000) 2.009 32.562 ( -29.623 9.685 0.000) 31.165 33.263 ( -57.155 -26.613 0.000) 63.047 34.306 ( 2.759 -5.441 0.000) 6.100 35.269 ( -3.780 4.230 0.000) 5.673 105.100 ( 0.089 0.459 0.000) 0.467 105.125 ( 0.371 -0.645 0.000) 0.745 107.030 ( 0.542 -0.876 0.000) 1.030 107.204 ( 2.291 0.716 0.000) 2.400 ======================= Grid point 19 (14/96) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 46.149 0.000) 46.149 2.138 ( 0.000 54.662 0.000) 54.662 2.493 ( 0.000 61.030 0.000) 61.030 3.745 ( -0.000 -35.954 0.000) 35.954 4.061 ( -0.000 -50.713 0.000) 50.713 4.451 ( -0.000 -40.792 0.000) 40.792 4.713 ( -0.000 -32.292 0.000) 32.292 5.150 ( -0.000 -27.573 0.000) 27.573 5.483 ( -0.000 -4.127 0.000) 4.127 5.489 ( 0.000 4.800 0.000) 4.800 5.907 ( -0.000 -6.618 0.000) 6.618 6.064 ( 0.000 2.646 0.000) 2.646 6.798 ( 0.000 14.482 0.000) 14.482 7.143 ( 0.000 35.215 0.000) 35.215 7.224 ( 0.000 18.272 0.000) 18.272 7.640 ( 0.000 16.347 0.000) 16.347 7.721 ( 0.000 24.835 0.000) 24.835 8.169 ( -0.000 -21.447 0.000) 21.447 8.279 ( 0.000 6.762 0.000) 6.762 8.608 ( -0.000 -6.740 0.000) 6.740 8.773 ( 0.000 31.641 0.000) 31.641 8.928 ( -0.000 -6.188 0.000) 6.188 9.598 ( -0.000 -13.914 0.000) 13.914 9.779 ( -0.000 -5.432 0.000) 5.432 9.834 ( -0.000 -6.119 0.000) 6.119 10.137 ( 0.000 8.471 0.000) 8.471 10.548 ( 0.000 0.819 0.000) 0.819 10.681 ( 0.000 3.342 0.000) 3.342 11.163 ( -0.000 -24.349 0.000) 24.349 11.431 ( -0.000 -17.812 0.000) 17.812 11.618 ( 0.000 14.217 0.000) 14.217 12.281 ( -0.000 -5.153 0.000) 5.153 12.325 ( 0.000 19.986 0.000) 19.986 12.426 ( -0.000 -6.758 0.000) 6.758 12.606 ( -0.000 -10.539 0.000) 10.539 12.784 ( 0.000 20.672 0.000) 20.672 12.987 ( -0.000 -17.671 0.000) 17.671 14.125 ( -0.000 -22.364 0.000) 22.364 14.268 ( -0.000 -7.697 0.000) 7.697 14.437 ( -0.000 -4.518 0.000) 4.518 14.931 ( 0.000 6.201 0.000) 6.201 15.214 ( 0.000 15.698 0.000) 15.698 15.277 ( 0.000 4.928 0.000) 4.928 15.510 ( -0.000 -1.393 0.000) 1.393 15.739 ( 0.000 6.952 0.000) 6.952 15.921 ( 0.000 12.797 0.000) 12.797 16.180 ( 0.000 8.310 0.000) 8.310 16.664 ( -0.000 -12.392 0.000) 12.392 17.190 ( 0.000 8.602 0.000) 8.602 17.943 ( -0.000 -16.861 0.000) 16.861 18.111 ( 0.000 0.566 0.000) 0.566 19.218 ( 0.000 9.585 0.000) 9.585 20.323 ( 0.000 3.993 0.000) 3.993 20.393 ( 0.000 3.161 0.000) 3.161 20.920 ( -0.000 -6.828 0.000) 6.828 21.078 ( -0.000 -0.829 0.000) 0.829 21.079 ( 0.000 1.995 0.000) 1.995 21.220 ( -0.000 -7.589 0.000) 7.589 21.325 ( -0.000 -11.351 0.000) 11.351 21.681 ( 0.000 2.976 0.000) 2.976 21.917 ( 0.000 3.266 0.000) 3.266 22.013 ( -0.000 -1.458 0.000) 1.458 22.086 ( 0.000 4.440 0.000) 4.440 22.108 ( -0.000 -3.556 0.000) 3.556 22.265 ( -0.000 -0.702 0.000) 0.702 22.590 ( 0.000 0.229 0.000) 0.229 22.628 ( -0.000 -0.129 0.000) 0.129 22.788 ( 0.000 1.773 0.000) 1.773 22.850 ( 0.000 6.074 0.000) 6.074 22.934 ( -0.000 -1.208 0.000) 1.208 23.149 ( 0.000 4.316 0.000) 4.316 23.425 ( -0.000 -0.095 0.000) 0.095 23.480 ( -0.000 -0.008 0.000) 0.008 23.813 ( -0.000 -7.125 0.000) 7.125 23.899 ( -0.000 -2.041 0.000) 2.041 24.635 ( -0.000 -1.036 0.000) 1.036 24.887 ( -0.000 -1.795 0.000) 1.795 25.025 ( 0.000 5.634 0.000) 5.634 25.308 ( 0.000 13.933 0.000) 13.933 25.935 ( -0.000 -4.225 0.000) 4.225 26.229 ( -0.000 -14.542 0.000) 14.542 26.352 ( 0.000 3.447 0.000) 3.447 27.297 ( -0.000 -2.597 0.000) 2.597 27.446 ( 0.000 3.289 0.000) 3.289 27.488 ( -0.000 -13.202 0.000) 13.202 27.765 ( -0.000 -2.622 0.000) 2.622 27.842 ( 0.000 2.660 0.000) 2.660 28.571 ( -0.000 -20.824 0.000) 20.824 28.836 ( 0.000 8.893 0.000) 8.893 29.779 ( 0.000 9.307 0.000) 9.307 30.934 ( 0.000 22.322 0.000) 22.322 31.874 ( -0.000 -9.534 0.000) 9.534 32.044 ( -0.000 -0.224 0.000) 0.224 32.165 ( -0.000 -2.562 0.000) 2.562 32.421 ( 0.000 3.732 0.000) 3.732 32.510 ( 0.000 0.924 0.000) 0.924 34.394 ( -0.000 -6.932 0.000) 6.932 35.200 ( 0.000 4.488 0.000) 4.488 105.097 ( 0.000 0.330 0.000) 0.330 105.135 ( -0.000 -0.716 0.000) 0.716 107.044 ( -0.000 -1.117 0.000) 1.117 107.225 ( 0.000 0.048 0.000) 0.048 ======================= Grid point 24 (15/96) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 0.421 -0.000 0.000) 0.421 3.216 ( -1.339 0.000 0.000) 1.339 3.288 ( -8.946 0.000 0.000) 8.946 3.451 ( 6.746 -0.000 0.000) 6.746 3.649 ( -9.104 0.000 0.000) 9.104 3.671 ( -6.500 0.000 0.000) 6.500 4.138 ( -17.372 0.000 0.000) 17.372 4.198 ( -14.226 0.000 0.000) 14.226 5.511 ( 3.918 -0.000 0.000) 3.918 5.667 ( -9.595 0.000 0.000) 9.595 5.842 ( -16.092 0.000 0.000) 16.092 6.156 ( -1.888 0.000 0.000) 1.888 6.909 ( 22.765 -0.000 0.000) 22.765 7.411 ( 14.027 -0.000 0.000) 14.027 7.622 ( 8.543 -0.000 0.000) 8.543 7.637 ( 30.194 -0.000 0.000) 30.194 7.815 ( -8.994 0.000 0.000) 8.994 8.142 ( 12.488 -0.000 0.000) 12.488 8.242 ( 4.693 -0.000 0.000) 4.693 8.657 ( -16.853 0.000 0.000) 16.853 8.951 ( -21.709 0.000 0.000) 21.709 9.076 ( -11.303 0.000 0.000) 11.303 9.529 ( 14.886 -0.000 0.000) 14.886 9.737 ( -24.093 0.000 0.000) 24.093 10.078 ( 12.215 -0.000 0.000) 12.215 10.103 ( 26.900 -0.000 0.000) 26.900 10.412 ( 9.347 -0.000 0.000) 9.347 10.642 ( -14.135 0.000 0.000) 14.135 10.794 ( -7.510 0.000 0.000) 7.510 11.243 ( -24.847 0.000 0.000) 24.847 11.768 ( 16.186 -0.000 0.000) 16.186 12.125 ( 0.421 -0.000 0.000) 0.421 12.251 ( 11.610 -0.000 0.000) 11.610 12.401 ( -0.136 0.000 0.000) 0.136 12.453 ( 7.274 -0.000 0.000) 7.274 13.130 ( 3.933 -0.000 0.000) 3.933 13.387 ( -15.767 0.000 0.000) 15.767 13.426 ( -3.708 0.000 0.000) 3.708 14.216 ( -4.771 0.000 0.000) 4.771 14.348 ( -7.966 0.000 0.000) 7.966 15.016 ( 4.383 -0.000 0.000) 4.383 15.332 ( 11.059 -0.000 0.000) 11.059 15.366 ( 6.112 -0.000 0.000) 6.112 15.534 ( -7.132 0.000 0.000) 7.132 15.891 ( -1.878 0.000 0.000) 1.878 16.211 ( -0.194 0.000 0.000) 0.194 16.253 ( -3.204 0.000 0.000) 3.204 16.335 ( 7.621 -0.000 0.000) 7.621 17.437 ( -5.212 0.000 0.000) 5.212 17.662 ( 0.800 -0.000 0.000) 0.800 18.135 ( -3.131 0.000 0.000) 3.131 19.276 ( 10.385 -0.000 0.000) 10.385 20.426 ( -1.845 0.000 0.000) 1.845 20.478 ( -2.471 0.000 0.000) 2.471 20.836 ( -5.191 0.000 0.000) 5.191 20.926 ( 4.097 -0.000 0.000) 4.097 21.045 ( 3.923 -0.000 0.000) 3.923 21.108 ( -2.437 0.000 0.000) 2.437 21.277 ( -2.985 0.000 0.000) 2.985 21.731 ( -0.664 0.000 0.000) 0.664 21.947 ( 3.212 -0.000 0.000) 3.212 22.015 ( -3.279 0.000 0.000) 3.279 22.142 ( -9.422 0.000 0.000) 9.422 22.192 ( 1.946 -0.000 0.000) 1.946 22.232 ( -3.833 0.000 0.000) 3.833 22.489 ( 6.493 -0.000 0.000) 6.493 22.613 ( 3.314 -0.000 0.000) 3.314 22.799 ( 7.379 -0.000 0.000) 7.379 22.920 ( -0.994 0.000 0.000) 0.994 23.029 ( -10.248 0.000 0.000) 10.248 23.179 ( 7.316 -0.000 0.000) 7.316 23.432 ( -2.204 0.000 0.000) 2.204 23.564 ( -11.043 0.000 0.000) 11.043 23.696 ( -0.563 0.000 0.000) 0.563 23.876 ( -2.108 0.000 0.000) 2.108 24.463 ( 18.384 -0.000 0.000) 18.384 24.642 ( 13.847 -0.000 0.000) 13.847 25.326 ( -14.086 0.000 0.000) 14.086 25.648 ( 13.095 -0.000 0.000) 13.095 25.697 ( 6.528 -0.000 0.000) 6.528 26.053 ( -18.127 0.000 0.000) 18.127 26.452 ( -5.630 0.000 0.000) 5.630 27.265 ( -0.758 0.000 0.000) 0.758 27.290 ( -1.082 0.000 0.000) 1.082 27.469 ( 2.313 -0.000 0.000) 2.313 27.762 ( 2.721 -0.000 0.000) 2.721 27.912 ( -2.083 0.000 0.000) 2.083 28.179 ( -0.714 0.000 0.000) 0.714 29.007 ( -4.897 0.000 0.000) 4.897 29.873 ( 8.430 -0.000 0.000) 8.430 30.781 ( 51.550 -0.000 0.000) 51.550 31.095 ( 36.270 -0.000 0.000) 36.270 32.145 ( -4.357 0.000 0.000) 4.357 32.476 ( 0.811 -0.000 0.000) 0.811 32.735 ( -44.601 0.000 0.000) 44.601 32.939 ( -39.410 0.000 0.000) 39.410 34.253 ( 3.052 -0.000 0.000) 3.052 35.311 ( -4.894 0.000 0.000) 4.894 105.108 ( -0.022 0.000 0.000) 0.022 105.114 ( 0.378 -0.000 0.000) 0.378 107.021 ( 0.541 -0.000 0.000) 0.541 107.210 ( 1.749 -0.000 0.000) 1.749 ======================= Grid point 26 (16/96) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 0.000 32.946 0.000) 32.946 3.127 ( 0.000 49.892 0.000) 49.892 3.166 ( -0.000 -15.043 0.000) 15.043 3.418 ( -0.000 -20.458 0.000) 20.458 3.561 ( 0.000 51.807 0.000) 51.807 3.718 ( -0.000 -32.633 0.000) 32.633 4.007 ( -0.000 -42.044 0.000) 42.044 4.461 ( -0.000 -42.467 0.000) 42.467 5.504 ( 0.000 2.514 0.000) 2.514 5.561 ( 0.000 2.472 0.000) 2.472 5.758 ( -0.000 -6.212 0.000) 6.212 6.133 ( 0.000 2.347 0.000) 2.347 7.077 ( 0.000 12.664 0.000) 12.664 7.507 ( 0.000 7.307 0.000) 7.307 7.608 ( 0.000 12.559 0.000) 12.559 7.774 ( -0.000 -6.534 0.000) 6.534 7.928 ( 0.000 2.858 0.000) 2.858 8.141 ( 0.000 18.672 0.000) 18.672 8.351 ( -0.000 -2.145 0.000) 2.145 8.486 ( -0.000 -4.838 0.000) 4.838 8.812 ( -0.000 -4.605 0.000) 4.605 8.933 ( -0.000 -3.449 0.000) 3.449 9.451 ( -0.000 -2.185 0.000) 2.185 9.745 ( -0.000 -2.636 0.000) 2.636 10.082 ( 0.000 23.903 0.000) 23.903 10.220 ( 0.000 1.117 0.000) 1.117 10.578 ( 0.000 1.652 0.000) 1.652 10.713 ( 0.000 0.483 0.000) 0.483 10.718 ( -0.000 -16.195 0.000) 16.195 11.045 ( -0.000 -19.592 0.000) 19.592 11.868 ( 0.000 8.342 0.000) 8.342 12.131 ( -0.000 -8.694 0.000) 8.694 12.248 ( 0.000 4.915 0.000) 4.915 12.485 ( -0.000 -2.700 0.000) 2.700 12.627 ( -0.000 -18.170 0.000) 18.170 12.939 ( 0.000 31.081 0.000) 31.081 13.173 ( 0.000 13.949 0.000) 13.949 13.608 ( -0.000 -29.233 0.000) 29.233 14.168 ( -0.000 -2.718 0.000) 2.718 14.328 ( -0.000 -5.461 0.000) 5.461 15.036 ( 0.000 3.506 0.000) 3.506 15.379 ( 0.000 5.804 0.000) 5.804 15.435 ( 0.000 6.443 0.000) 6.443 15.470 ( -0.000 -3.197 0.000) 3.197 15.827 ( 0.000 2.233 0.000) 2.233 16.143 ( 0.000 8.032 0.000) 8.032 16.251 ( 0.000 0.447 0.000) 0.447 16.461 ( -0.000 -6.618 0.000) 6.618 17.362 ( 0.000 6.579 0.000) 6.579 17.698 ( -0.000 -7.703 0.000) 7.703 18.111 ( -0.000 -0.372 0.000) 0.372 19.345 ( 0.000 3.623 0.000) 3.623 20.397 ( 0.000 2.667 0.000) 2.667 20.445 ( 0.000 2.154 0.000) 2.154 20.809 ( -0.000 -3.779 0.000) 3.779 21.004 ( -0.000 -6.140 0.000) 6.140 21.072 ( 0.000 0.362 0.000) 0.362 21.108 ( -0.000 -3.858 0.000) 3.858 21.243 ( 0.000 0.365 0.000) 0.365 21.720 ( 0.000 1.082 0.000) 1.082 21.975 ( 0.000 2.324 0.000) 2.324 21.985 ( -0.000 -1.008 0.000) 1.008 22.059 ( -0.000 -1.669 0.000) 1.669 22.163 ( 0.000 3.698 0.000) 3.698 22.230 ( -0.000 -2.735 0.000) 2.735 22.589 ( -0.000 -0.149 0.000) 0.149 22.626 ( -0.000 -0.031 0.000) 0.031 22.841 ( 0.000 3.111 0.000) 3.111 22.900 ( -0.000 -2.301 0.000) 2.301 22.945 ( 0.000 3.140 0.000) 3.140 23.228 ( 0.000 3.323 0.000) 3.323 23.404 ( -0.000 -1.604 0.000) 1.604 23.481 ( 0.000 0.040 0.000) 0.040 23.704 ( -0.000 -3.528 0.000) 3.528 23.867 ( -0.000 -1.021 0.000) 1.021 24.613 ( -0.000 -0.947 0.000) 0.947 24.864 ( -0.000 -0.600 0.000) 0.600 25.106 ( 0.000 2.420 0.000) 2.420 25.607 ( 0.000 17.139 0.000) 17.139 25.880 ( -0.000 -1.504 0.000) 1.504 25.932 ( -0.000 -16.682 0.000) 16.682 26.396 ( 0.000 1.169 0.000) 1.169 27.263 ( -0.000 -0.949 0.000) 0.949 27.306 ( -0.000 -5.268 0.000) 5.268 27.487 ( 0.000 0.810 0.000) 0.810 27.770 ( 0.000 2.440 0.000) 2.440 27.881 ( 0.000 1.190 0.000) 1.190 28.240 ( -0.000 -11.724 0.000) 11.724 28.951 ( 0.000 3.098 0.000) 3.098 29.921 ( 0.000 4.392 0.000) 4.392 31.320 ( 0.000 18.045 0.000) 18.045 31.653 ( -0.000 -13.553 0.000) 13.553 32.049 ( 0.000 0.473 0.000) 0.473 32.124 ( -0.000 -1.490 0.000) 1.490 32.479 ( 0.000 2.229 0.000) 2.229 32.516 ( -0.000 -0.350 0.000) 0.350 34.296 ( -0.000 -2.861 0.000) 2.861 35.261 ( 0.000 1.739 0.000) 1.739 105.105 ( 0.000 0.494 0.000) 0.494 105.122 ( -0.000 -0.666 0.000) 0.666 107.028 ( -0.000 -0.486 0.000) 0.486 107.225 ( 0.000 0.007 0.000) 0.007 ======================= Grid point 51 (17/96) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 0.000 45.452) 45.452 1.112 ( 0.000 0.000 54.890) 54.890 1.852 ( 0.000 0.000 89.654) 89.654 5.224 ( 0.000 0.000 8.561) 8.561 5.272 ( 0.000 0.000 -2.636) 2.636 5.298 ( 0.000 0.000 -1.629) 1.629 5.439 ( 0.000 0.000 12.046) 12.046 5.488 ( 0.000 0.000 -5.669) 5.669 5.658 ( 0.000 0.000 -2.925) 2.925 5.799 ( 0.000 0.000 15.582) 15.582 6.129 ( 0.000 0.000 -3.750) 3.750 6.300 ( 0.000 0.000 7.041) 7.041 6.471 ( 0.000 0.000 -0.044) 0.044 6.599 ( 0.000 0.000 12.215) 12.215 6.861 ( 0.000 0.000 6.983) 6.983 6.957 ( 0.000 0.000 18.299) 18.299 7.171 ( 0.000 0.000 7.822) 7.822 7.237 ( 0.000 0.000 14.641) 14.641 8.016 ( 0.000 0.000 -10.426) 10.426 8.688 ( 0.000 0.000 -9.893) 9.893 8.689 ( 0.000 0.000 -10.718) 10.718 9.122 ( 0.000 0.000 2.115) 2.115 9.742 ( 0.000 0.000 3.231) 3.231 9.902 ( 0.000 0.000 -3.676) 3.676 10.024 ( 0.000 0.000 -14.231) 14.231 10.404 ( 0.000 0.000 -11.129) 11.129 10.497 ( 0.000 0.000 5.952) 5.952 10.549 ( 0.000 0.000 0.036) 0.036 11.157 ( 0.000 0.000 2.681) 2.681 11.357 ( 0.000 0.000 -1.256) 1.256 11.561 ( 0.000 0.000 4.263) 4.263 12.121 ( 0.000 0.000 -16.661) 16.661 12.196 ( 0.000 0.000 7.349) 7.349 12.197 ( 0.000 0.000 5.674) 5.674 12.779 ( 0.000 0.000 -16.380) 16.380 13.172 ( 0.000 0.000 -3.106) 3.106 13.217 ( 0.000 0.000 -8.473) 8.473 14.058 ( 0.000 0.000 -11.697) 11.697 14.407 ( 0.000 0.000 6.326) 6.326 14.832 ( 0.000 0.000 -1.597) 1.597 14.883 ( 0.000 0.000 19.276) 19.276 14.917 ( 0.000 0.000 -17.223) 17.223 15.273 ( 0.000 0.000 7.189) 7.189 15.355 ( 0.000 0.000 -14.433) 14.433 15.540 ( 0.000 0.000 -11.670) 11.670 15.590 ( 0.000 0.000 -4.396) 4.396 15.809 ( 0.000 0.000 6.680) 6.680 16.849 ( 0.000 0.000 -12.065) 12.065 16.885 ( 0.000 0.000 -9.509) 9.509 18.125 ( 0.000 0.000 1.912) 1.912 18.691 ( 0.000 0.000 11.628) 11.628 18.771 ( 0.000 0.000 -2.095) 2.095 20.035 ( 0.000 0.000 -18.438) 18.438 20.126 ( 0.000 0.000 -16.130) 16.130 20.942 ( 0.000 0.000 -4.617) 4.617 20.997 ( 0.000 0.000 -4.350) 4.350 21.082 ( 0.000 0.000 -4.239) 4.239 21.291 ( 0.000 0.000 -1.909) 1.909 21.409 ( 0.000 0.000 -4.502) 4.502 21.649 ( 0.000 0.000 6.205) 6.205 21.764 ( 0.000 0.000 -13.202) 13.202 21.776 ( 0.000 0.000 -3.239) 3.239 22.035 ( 0.000 0.000 1.075) 1.075 22.175 ( 0.000 0.000 17.068) 17.068 22.252 ( 0.000 0.000 3.032) 3.032 22.577 ( 0.000 0.000 3.999) 3.999 22.594 ( 0.000 0.000 -13.827) 13.827 22.852 ( 0.000 0.000 9.916) 9.916 22.864 ( 0.000 0.000 10.663) 10.663 22.969 ( 0.000 0.000 -1.477) 1.477 23.266 ( 0.000 0.000 8.530) 8.530 23.328 ( 0.000 0.000 8.467) 8.467 23.523 ( 0.000 0.000 3.982) 3.982 23.963 ( 0.000 0.000 -3.409) 3.409 24.356 ( 0.000 0.000 -2.316) 2.316 24.361 ( 0.000 0.000 10.408) 10.408 24.834 ( 0.000 0.000 -3.153) 3.153 24.869 ( 0.000 0.000 -5.011) 5.011 25.473 ( 0.000 0.000 7.493) 7.493 26.271 ( 0.000 0.000 9.642) 9.642 26.272 ( 0.000 0.000 11.495) 11.495 26.450 ( 0.000 0.000 -1.230) 1.230 27.431 ( 0.000 0.000 4.727) 4.727 27.484 ( 0.000 0.000 1.709) 1.709 27.727 ( 0.000 0.000 1.639) 1.639 28.057 ( 0.000 0.000 4.474) 4.474 28.066 ( 0.000 0.000 17.160) 17.160 28.501 ( 0.000 0.000 3.857) 3.857 28.921 ( 0.000 0.000 -5.197) 5.197 29.745 ( 0.000 0.000 -0.359) 0.359 30.152 ( 0.000 0.000 -4.907) 4.907 32.040 ( 0.000 0.000 -4.903) 4.903 32.057 ( 0.000 0.000 -1.133) 1.133 32.176 ( 0.000 0.000 -6.824) 6.824 32.316 ( 0.000 0.000 4.657) 4.657 32.629 ( 0.000 0.000 11.891) 11.891 34.561 ( 0.000 0.000 -4.366) 4.366 35.017 ( 0.000 0.000 -3.408) 3.408 105.145 ( 0.000 0.000 2.982) 2.982 105.352 ( 0.000 0.000 1.846) 1.846 106.984 ( 0.000 0.000 -1.327) 1.327 107.084 ( 0.000 0.000 -1.911) 1.911 ======================= Grid point 52 (18/96) ======================= q-point: ( 0.14 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 20.721 -21.582 43.343) 52.666 1.728 ( 54.743 -12.703 30.992) 64.177 2.119 ( 36.764 -14.743 66.970) 77.807 4.787 ( -18.958 19.114 6.374) 27.666 5.019 ( -19.105 23.909 9.449) 32.031 5.178 ( -11.196 2.900 -0.435) 11.574 5.303 ( -12.602 0.011 -0.674) 12.620 5.659 ( 0.496 3.036 -0.390) 3.101 5.748 ( 8.789 4.891 0.826) 10.092 5.872 ( -4.448 0.792 3.734) 5.862 6.051 ( -0.515 8.545 3.081) 9.098 6.186 ( -1.147 9.387 10.508) 14.137 6.332 ( -7.275 6.861 0.129) 10.000 6.454 ( 4.968 3.547 14.291) 15.540 6.849 ( -0.909 -8.617 7.379) 11.381 7.047 ( 2.823 -8.033 8.304) 11.894 7.280 ( -2.489 -42.434 13.294) 44.537 7.648 ( 5.140 -15.651 5.623) 17.407 8.204 ( 15.539 -1.518 -9.135) 18.089 8.517 ( -1.040 9.574 -8.518) 12.857 8.688 ( 1.320 -0.688 -4.699) 4.929 9.102 ( 3.338 4.338 1.432) 5.658 9.740 ( -5.607 -6.920 3.026) 9.407 9.827 ( -9.705 -3.066 -3.354) 10.716 10.191 ( 20.298 13.533 -12.557) 27.438 10.368 ( -10.160 1.865 3.870) 11.031 10.474 ( 5.980 10.353 -2.565) 12.228 10.579 ( 12.206 3.786 -3.166) 13.166 11.271 ( -1.006 -8.678 2.049) 8.973 11.368 ( -2.279 -2.159 2.734) 4.163 11.538 ( 5.625 -12.868 -1.173) 14.093 12.014 ( -18.012 -4.752 3.693) 18.990 12.203 ( 8.425 7.226 -14.789) 18.490 12.316 ( 2.276 -4.038 3.312) 5.696 12.573 ( -17.394 5.860 -12.624) 22.277 12.817 ( -19.692 5.677 -0.449) 20.499 13.496 ( 16.423 2.001 -8.469) 18.586 14.080 ( 3.186 -1.534 -14.451) 14.877 14.487 ( -2.541 -1.804 -0.456) 3.149 14.773 ( -3.352 6.274 -2.335) 7.487 14.844 ( 1.851 3.257 5.372) 6.549 14.877 ( 1.474 4.147 -2.471) 5.048 15.182 ( -7.138 1.008 2.720) 7.705 15.304 ( -7.859 -6.070 -5.007) 11.121 15.510 ( 2.696 -7.601 -6.291) 10.228 15.798 ( 13.430 10.200 -12.859) 21.207 16.062 ( 18.831 -6.992 -0.483) 20.093 16.779 ( -4.218 6.077 -10.274) 12.660 16.894 ( -2.972 -7.358 -7.995) 11.265 18.152 ( 3.094 -0.674 2.281) 3.903 18.526 ( -3.363 18.702 6.268) 20.009 18.859 ( -5.088 -15.512 3.812) 16.765 20.060 ( 2.111 -0.653 -21.236) 21.351 20.136 ( 0.906 -1.241 -15.708) 15.783 20.917 ( -2.018 -0.305 -3.133) 3.739 21.041 ( 3.801 3.114 -6.007) 7.761 21.079 ( 0.015 -1.341 -2.307) 2.669 21.361 ( -2.342 -13.066 -8.766) 15.908 21.423 ( 3.134 3.061 -3.710) 5.741 21.668 ( 0.114 -1.664 5.108) 5.373 21.758 ( 1.935 5.359 -4.098) 7.018 21.848 ( 6.155 -3.292 -6.396) 9.467 22.045 ( -0.078 -0.222 1.967) 1.981 22.066 ( -5.284 -3.980 6.058) 8.970 22.349 ( 4.782 1.611 11.398) 12.465 22.529 ( -1.626 3.876 -4.877) 6.439 22.620 ( 3.183 -1.451 0.971) 3.631 22.807 ( -3.116 2.847 9.971) 10.828 22.904 ( -0.496 -3.856 8.213) 9.087 23.004 ( 3.311 -2.262 -0.251) 4.018 23.203 ( -1.733 5.007 10.541) 11.798 23.384 ( -0.360 -9.072 2.230) 9.349 23.531 ( 0.756 -0.141 4.613) 4.676 23.927 ( -2.830 1.973 -4.013) 5.292 24.139 ( -10.765 1.837 17.291) 20.451 24.352 ( -2.308 -0.520 -3.365) 4.113 24.740 ( -11.491 4.234 -1.936) 12.398 24.879 ( -1.979 -4.789 9.795) 11.081 25.434 ( 3.259 1.742 1.226) 3.894 26.181 ( -10.646 2.133 1.714) 10.992 26.473 ( 8.539 4.262 1.576) 9.673 26.523 ( 17.142 1.964 1.908) 17.359 27.436 ( 1.409 1.681 4.435) 4.948 27.470 ( -1.165 -0.303 3.728) 3.917 27.731 ( -0.231 -1.480 3.720) 4.010 27.947 ( -4.440 3.617 14.377) 15.476 28.147 ( 6.934 12.804 7.983) 16.606 28.489 ( -4.328 -14.382 1.049) 15.056 28.942 ( -0.782 0.760 -0.534) 1.214 29.550 ( -15.642 7.108 0.708) 17.196 30.009 ( -53.240 -19.518 29.249) 63.804 30.292 ( -26.942 -16.335 16.112) 35.388 32.165 ( 10.041 0.100 0.928) 10.084 32.370 ( 7.343 1.104 1.896) 7.664 32.423 ( 2.835 -3.526 4.688) 6.515 34.349 ( 71.460 26.895 -51.482) 92.089 34.530 ( 6.885 6.572 -10.552) 14.210 35.004 ( -3.172 -4.561 -4.364) 7.065 105.144 ( 0.010 0.178 3.143) 3.149 105.245 ( -5.425 2.533 7.648) 9.713 107.000 ( -0.742 -2.842 -2.534) 3.879 107.080 ( -0.943 -1.437 -1.455) 2.252 ======================= Grid point 53 (19/96) ======================= q-point: ( 0.29 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 26.642 -28.215 30.182) 49.161 2.518 ( 29.378 -27.844 46.317) 61.512 3.280 ( 72.799 -7.480 15.659) 74.839 4.263 ( -18.715 28.856 15.115) 37.569 4.471 ( -19.461 17.577 5.218) 26.738 4.918 ( -14.163 5.486 0.327) 15.192 5.045 ( -21.448 7.348 3.858) 22.998 5.259 ( -8.003 25.332 7.891) 27.713 5.685 ( -17.094 0.276 -2.174) 17.234 5.743 ( -8.546 9.998 4.722) 13.975 5.950 ( 4.028 -4.411 1.057) 6.066 6.151 ( -0.516 3.510 0.159) 3.552 6.513 ( 17.778 0.084 -0.211) 17.780 6.615 ( -1.064 -16.439 3.989) 16.950 6.895 ( -4.188 -7.498 9.837) 13.058 7.195 ( 6.671 -8.925 10.554) 15.347 7.599 ( -2.931 -25.705 4.815) 26.316 7.725 ( 8.381 -10.262 2.486) 13.481 8.254 ( -3.846 9.922 -4.986) 11.751 8.627 ( 7.489 0.805 -3.908) 8.486 8.827 ( 11.748 -3.191 1.358) 12.249 9.236 ( 10.692 -0.794 -0.393) 10.729 9.519 ( -18.136 2.425 2.321) 18.444 9.782 ( -9.236 -9.704 0.038) 13.396 10.155 ( 1.700 7.792 0.672) 8.003 10.308 ( 7.525 12.367 -0.424) 14.483 10.575 ( 10.866 2.023 -5.019) 12.139 10.821 ( 22.870 10.098 -2.078) 25.087 11.071 ( -8.436 2.322 2.382) 9.068 11.487 ( -16.120 2.411 -3.269) 16.624 11.743 ( 3.279 -13.493 -6.263) 15.233 11.857 ( 0.865 -12.247 5.131) 13.306 12.144 ( -14.525 1.407 -8.042) 16.662 12.177 ( -17.321 2.694 -5.272) 18.305 12.444 ( 7.088 -4.287 -5.554) 9.974 12.607 ( 1.744 1.181 4.528) 4.994 13.578 ( 1.412 16.543 2.518) 16.793 14.207 ( 6.397 -9.571 -21.099) 24.035 14.434 ( -9.088 -3.306 -9.709) 13.703 14.525 ( -0.241 10.981 -1.334) 11.064 14.848 ( -0.500 0.172 -7.943) 7.960 14.966 ( 0.831 7.718 -6.568) 10.169 15.073 ( -9.866 -3.427 2.787) 10.810 15.213 ( -0.865 -4.111 8.221) 9.232 15.705 ( 5.308 -9.988 -9.355) 14.678 15.844 ( 6.825 7.326 -12.557) 16.061 16.377 ( 11.891 0.861 -10.345) 15.785 16.627 ( -5.892 7.018 -5.089) 10.482 16.981 ( 4.376 -14.440 1.571) 15.170 18.165 ( -6.001 13.285 2.048) 14.720 18.329 ( 4.351 4.326 7.390) 9.605 18.862 ( -10.396 -11.666 6.434) 16.899 20.100 ( 2.036 0.033 -26.931) 27.008 20.169 ( 1.341 -0.952 -16.963) 17.043 20.879 ( -2.435 0.516 -2.030) 3.212 21.069 ( 1.028 -3.234 -2.396) 4.154 21.111 ( 2.045 0.130 -2.016) 2.874 21.406 ( -2.764 -4.467 -5.965) 7.948 21.456 ( 5.323 3.795 -4.035) 7.683 21.643 ( -4.444 -1.078 2.528) 5.225 21.766 ( 4.824 3.015 4.499) 7.253 21.947 ( 1.242 -2.207 -2.735) 3.728 22.062 ( 1.252 -2.187 -1.262) 2.819 22.131 ( 5.588 -4.584 2.777) 7.743 22.343 ( -3.139 -1.660 11.650) 12.180 22.514 ( 3.363 6.677 -5.676) 9.386 22.622 ( -0.735 4.767 9.314) 10.489 22.793 ( 0.684 -3.024 3.041) 4.343 22.914 ( -0.326 -2.955 9.876) 10.314 23.076 ( 0.705 -1.094 2.573) 2.883 23.164 ( 3.244 0.579 5.316) 6.255 23.476 ( 2.157 -6.521 -3.071) 7.524 23.545 ( 0.456 -0.448 5.765) 5.800 23.849 ( -5.319 1.293 -6.350) 8.384 24.064 ( 2.282 1.701 13.203) 13.506 24.283 ( -6.089 2.391 -4.727) 8.071 24.479 ( -12.832 3.801 3.073) 13.731 24.900 ( -0.299 -6.675 14.860) 16.293 25.498 ( 2.381 1.578 -4.115) 5.009 25.923 ( -15.465 0.546 -7.440) 17.171 26.602 ( 12.296 6.227 7.105) 15.507 26.730 ( 11.412 3.749 5.203) 13.090 27.441 ( -0.265 -0.491 4.418) 4.453 27.464 ( 1.118 1.360 5.624) 5.893 27.726 ( -1.580 1.332 6.579) 6.895 27.832 ( -5.514 4.712 14.010) 15.776 28.096 ( 0.199 0.370 5.238) 5.255 28.605 ( 1.237 -3.696 1.769) 4.280 28.895 ( 0.258 0.608 3.116) 3.186 29.211 ( -19.926 -5.517 8.560) 22.378 29.636 ( -14.392 -10.786 9.218) 20.210 30.213 ( -10.213 -11.096 -0.112) 15.081 32.277 ( 4.832 1.127 4.575) 6.749 32.414 ( -0.320 -1.854 4.103) 4.514 32.723 ( 23.070 -6.539 -1.695) 24.038 34.315 ( -8.920 11.062 -5.289) 15.163 34.850 ( 14.075 16.086 -18.381) 28.190 35.075 ( 9.910 2.695 -17.719) 20.480 105.142 ( -0.009 0.280 3.681) 3.692 105.177 ( -1.911 0.438 5.711) 6.038 107.005 ( -0.848 -1.218 -2.166) 2.626 107.083 ( -0.384 -1.377 -1.695) 2.217 ======================= Grid point 54 (20/96) ======================= q-point: ( 0.43 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 21.530 -25.085 23.108) 40.333 3.248 ( 24.208 -24.075 35.942) 49.573 3.661 ( -19.304 21.829 23.919) 37.700 4.097 ( -3.427 11.204 7.490) 13.906 4.257 ( 0.901 16.618 7.695) 18.335 4.565 ( 25.086 6.916 9.228) 27.610 4.763 ( -0.409 -0.031 0.857) 0.950 5.135 ( -4.139 3.635 0.610) 5.542 5.377 ( -18.594 -0.464 -3.147) 18.864 5.541 ( -9.738 -3.059 0.142) 10.208 5.797 ( -13.980 5.294 -0.172) 14.949 6.285 ( 8.271 -6.467 1.403) 10.592 6.489 ( -9.682 -0.814 0.668) 9.739 6.689 ( -0.897 0.252 2.938) 3.082 7.058 ( 10.088 -6.169 0.964) 11.864 7.416 ( 7.682 -6.384 15.562) 18.492 7.781 ( 6.703 0.049 -3.328) 7.484 8.058 ( 7.825 -5.832 0.992) 9.810 8.157 ( 10.537 -5.523 2.573) 12.171 8.494 ( -15.314 6.823 3.551) 17.137 8.884 ( -13.549 3.270 2.940) 14.244 9.176 ( -5.226 -3.326 -2.278) 6.600 9.462 ( 8.900 2.344 3.042) 9.694 9.678 ( -9.008 -3.726 2.607) 10.091 10.252 ( 13.128 6.754 -4.037) 15.305 10.502 ( 19.497 -3.237 1.745) 19.841 10.611 ( -1.792 3.180 -2.246) 4.286 10.930 ( -7.603 1.293 1.701) 7.898 11.093 ( -11.896 1.065 4.600) 12.799 11.182 ( 12.943 3.841 -2.701) 13.769 11.689 ( -8.583 1.305 -11.697) 14.567 11.826 ( -12.494 1.459 -8.551) 15.211 11.963 ( -4.013 -0.522 -7.149) 8.215 12.132 ( 3.468 -7.770 5.188) 9.966 12.603 ( 5.133 -0.916 1.061) 5.321 12.782 ( 7.781 -14.003 -2.040) 16.149 13.319 ( -7.314 18.384 11.315) 22.793 14.303 ( -0.874 1.595 -14.746) 14.858 14.395 ( 3.206 -4.024 -18.467) 19.171 14.571 ( 5.661 -0.376 -3.499) 6.665 14.788 ( -11.529 -1.419 -6.936) 13.529 14.845 ( -2.082 -0.669 -11.444) 11.651 14.955 ( -0.835 4.471 1.131) 4.687 15.286 ( 1.748 -1.837 5.967) 6.484 15.737 ( -0.309 2.096 -15.295) 15.441 16.007 ( 7.112 -5.540 -18.089) 20.211 16.406 ( -1.959 4.037 -2.996) 5.396 16.500 ( -1.833 3.630 -3.423) 5.315 17.322 ( 15.433 -17.523 5.352) 23.956 17.793 ( -15.551 17.897 7.261) 24.797 18.494 ( 11.845 -0.354 3.050) 12.237 18.744 ( -12.311 -4.804 8.993) 15.984 20.121 ( 0.706 0.248 -31.166) 31.175 20.190 ( 0.508 -0.159 -18.673) 18.681 20.844 ( -0.993 0.271 -0.845) 1.332 21.122 ( 1.317 -1.123 -4.623) 4.936 21.138 ( 0.287 -2.531 2.966) 3.910 21.381 ( -0.696 1.731 -2.155) 2.850 21.512 ( 4.702 2.168 -2.009) 5.554 21.577 ( -4.814 -1.770 0.627) 5.167 21.850 ( 7.065 1.127 2.876) 7.710 21.946 ( -3.009 -0.030 2.358) 3.823 22.074 ( -1.937 -1.781 0.352) 2.655 22.218 ( 0.500 -3.444 6.138) 7.056 22.400 ( 5.891 1.680 0.678) 6.163 22.455 ( -0.629 -0.740 5.484) 5.570 22.569 ( -3.850 3.182 6.078) 7.867 22.813 ( 0.529 -0.244 8.478) 8.498 22.962 ( 2.009 -2.919 3.968) 5.320 23.032 ( -2.723 2.717 2.224) 4.443 23.334 ( 11.974 -3.154 -3.095) 12.763 23.547 ( 1.352 -0.639 2.876) 3.242 23.557 ( -0.264 -2.479 -1.098) 2.724 23.699 ( -10.047 3.048 -6.876) 12.550 24.116 ( -3.691 -1.017 -3.205) 4.993 24.152 ( 3.418 2.308 9.184) 10.067 24.311 ( -5.393 2.104 8.721) 10.467 25.005 ( 5.161 -4.540 13.796) 15.414 25.386 ( -9.412 3.709 -2.854) 10.512 25.792 ( -2.104 -1.601 -14.884) 15.117 26.727 ( 8.196 4.824 4.748) 10.629 26.826 ( 2.122 -0.305 15.003) 15.155 27.438 ( -0.609 -0.741 4.832) 4.926 27.479 ( 1.531 0.779 6.023) 6.263 27.665 ( -1.587 3.024 5.876) 6.796 27.702 ( -4.652 1.391 14.190) 14.997 28.214 ( 4.555 -13.615 4.259) 14.975 28.493 ( -3.385 18.091 3.085) 18.662 28.873 ( -6.141 -5.365 3.082) 8.718 29.182 ( 5.195 -6.719 6.591) 10.751 29.515 ( -8.226 -1.145 -0.752) 8.340 30.159 ( -4.132 -3.837 -0.316) 5.647 32.326 ( 2.192 0.834 4.687) 5.241 32.418 ( -0.777 -1.213 4.819) 5.030 33.151 ( 16.209 -6.881 -3.524) 17.958 34.034 ( -10.137 8.661 -4.500) 14.072 34.871 ( 1.667 2.659 -9.969) 10.451 35.161 ( 4.260 3.682 -15.311) 16.314 105.139 ( -0.036 0.147 4.355) 4.358 105.158 ( -0.445 -0.004 3.892) 3.917 107.002 ( -0.316 -0.308 -1.856) 1.908 107.089 ( -0.096 -0.526 -1.896) 1.970 ======================= Grid point 59 (21/96) ======================= q-point: ( 0.14 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 30.372 -0.000 35.437) 46.672 2.232 ( 30.321 -0.000 60.230) 67.431 3.211 ( 80.581 -0.000 13.952) 81.780 4.591 ( -14.847 0.000 3.644) 15.288 4.731 ( -32.903 0.000 1.846) 32.955 4.915 ( -20.093 0.000 8.576) 21.846 4.989 ( -18.819 0.000 5.970) 19.743 5.476 ( -16.483 0.000 -2.981) 16.750 5.707 ( -17.602 0.000 -1.759) 17.690 5.822 ( 4.369 -0.000 -2.363) 4.967 6.063 ( 4.769 -0.000 -6.182) 7.808 6.361 ( -3.890 0.000 6.876) 7.900 6.416 ( -15.092 0.000 11.754) 19.129 6.535 ( 5.084 -0.000 3.470) 6.155 6.759 ( 12.692 -0.000 17.876) 21.924 6.956 ( 0.193 -0.000 17.348) 17.349 7.266 ( 21.759 -0.000 3.595) 22.054 7.654 ( 9.488 -0.000 2.780) 9.887 8.366 ( 0.530 -0.000 -9.970) 9.984 8.658 ( 6.611 -0.000 -2.938) 7.234 8.794 ( 12.539 -0.000 -1.994) 12.697 9.242 ( 6.854 -0.000 -0.606) 6.881 9.578 ( -15.410 0.000 2.114) 15.555 9.620 ( -6.354 0.000 2.702) 6.905 10.200 ( -3.155 0.000 4.782) 5.729 10.474 ( 3.864 -0.000 -4.263) 5.754 10.596 ( 9.522 -0.000 -4.421) 10.498 11.046 ( 23.157 -0.000 -11.445) 25.831 11.131 ( -5.355 0.000 3.672) 6.493 11.379 ( 7.727 -0.000 3.271) 8.390 11.528 ( -10.524 0.000 -1.511) 10.632 11.706 ( -5.825 0.000 3.567) 6.830 12.188 ( -14.277 0.000 5.712) 15.377 12.205 ( -18.579 0.000 -13.338) 22.871 12.447 ( 3.630 -0.000 -15.416) 15.837 12.639 ( -1.879 0.000 4.512) 4.887 13.738 ( 11.186 -0.000 -12.676) 16.906 14.133 ( 5.023 -0.000 -14.360) 15.213 14.318 ( -12.727 0.000 -0.286) 12.731 14.721 ( -6.879 0.000 -5.299) 8.683 14.766 ( -9.803 0.000 -7.018) 12.056 15.024 ( 2.047 -0.000 3.711) 4.238 15.156 ( 0.413 -0.000 3.543) 3.567 15.179 ( 0.831 -0.000 -0.733) 1.108 15.518 ( 7.112 -0.000 -1.230) 7.217 15.964 ( 0.345 -0.000 -15.370) 15.374 16.368 ( 17.591 -0.000 -10.524) 20.499 16.709 ( -7.819 0.000 -6.821) 10.376 16.834 ( 3.121 -0.000 -5.260) 6.116 18.240 ( 7.906 -0.000 2.087) 8.177 18.544 ( -15.405 0.000 3.523) 15.803 18.631 ( -2.690 0.000 12.160) 12.454 20.102 ( 2.529 -0.000 -26.293) 26.414 20.168 ( 3.187 -0.000 -18.168) 18.445 20.892 ( -0.928 0.000 -2.137) 2.330 21.003 ( -4.596 0.000 0.482) 4.621 21.143 ( 3.021 -0.000 -8.014) 8.564 21.266 ( -1.429 0.000 -2.651) 3.011 21.525 ( 7.014 -0.000 -6.212) 9.370 21.629 ( -3.782 0.000 7.959) 8.812 21.848 ( 1.169 -0.000 7.789) 7.876 21.904 ( 7.599 -0.000 -8.717) 11.564 22.028 ( 2.988 -0.000 -2.583) 3.950 22.084 ( 2.908 -0.000 4.199) 5.108 22.317 ( -5.613 0.000 14.323) 15.383 22.622 ( 4.306 -0.000 -1.654) 4.613 22.654 ( 2.888 -0.000 5.489) 6.202 22.808 ( -2.875 0.000 8.426) 8.903 22.810 ( -2.974 0.000 9.350) 9.812 23.069 ( 8.150 -0.000 -1.036) 8.215 23.188 ( -4.372 0.000 8.427) 9.494 23.399 ( 7.749 -0.000 -4.018) 8.729 23.543 ( 0.423 -0.000 5.072) 5.090 23.863 ( -5.649 0.000 -6.980) 8.980 24.081 ( 2.306 -0.000 13.597) 13.791 24.292 ( -8.042 0.000 -7.725) 11.151 24.549 ( -11.738 0.000 2.726) 12.051 24.822 ( 0.974 -0.000 19.371) 19.396 25.520 ( 4.827 -0.000 -6.867) 8.394 25.919 ( -19.744 0.000 -4.483) 20.246 26.624 ( 10.060 -0.000 14.350) 17.525 26.838 ( 12.976 -0.000 -11.379) 17.258 27.416 ( -2.473 0.000 2.483) 3.504 27.507 ( 3.254 -0.000 5.085) 6.037 27.706 ( -0.967 0.000 9.270) 9.320 27.881 ( -4.933 0.000 15.815) 16.567 28.096 ( -22.816 0.000 6.283) 23.665 28.524 ( 20.374 -0.000 5.032) 20.986 28.849 ( -1.182 0.000 16.255) 16.298 29.263 ( -23.161 0.000 0.672) 23.170 29.506 ( -2.951 0.000 13.301) 13.625 30.086 ( -3.897 0.000 -0.814) 3.981 32.292 ( 5.579 -0.000 4.436) 7.128 32.391 ( -1.050 0.000 4.960) 5.070 32.661 ( 22.412 -0.000 -1.986) 22.500 34.437 ( -7.858 0.000 -5.529) 9.608 34.862 ( -9.703 0.000 -4.234) 10.586 35.271 ( 20.761 -0.000 -43.470) 48.173 105.145 ( 0.055 -0.000 3.187) 3.187 105.181 ( -2.841 0.000 6.943) 7.502 106.982 ( -0.049 0.000 -1.360) 1.361 107.073 ( 0.452 -0.000 -1.506) 1.573 ======================= Grid point 60 (22/96) ======================= q-point: ( 0.29 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 27.328 -14.646 26.883) 41.037 2.813 ( 30.885 -14.251 51.585) 61.790 4.116 ( -27.637 16.485 7.274) 32.992 4.269 ( -15.399 11.534 8.005) 20.838 4.449 ( 46.403 4.195 3.559) 46.728 4.589 ( -5.068 -3.551 3.757) 7.239 4.687 ( -18.823 -8.471 5.085) 21.259 5.334 ( -8.967 -4.004 -4.809) 10.935 5.410 ( -9.612 5.030 0.281) 10.852 5.708 ( -17.846 32.904 9.384) 38.590 5.806 ( -15.956 -1.815 -1.071) 16.095 6.188 ( 1.942 -4.608 0.601) 5.036 6.318 ( -7.256 -17.599 -1.983) 19.139 6.731 ( 10.518 2.625 6.667) 12.726 6.974 ( 8.541 -0.710 9.385) 12.710 7.158 ( 8.844 -15.656 13.692) 22.600 7.728 ( 31.552 -3.056 3.590) 31.903 7.977 ( 22.268 -1.895 0.889) 22.366 8.218 ( -10.768 6.483 -5.394) 13.678 8.614 ( -9.311 3.233 1.654) 9.994 8.913 ( -11.603 0.931 1.930) 11.799 9.139 ( -2.084 -0.674 -3.684) 4.286 9.490 ( -2.014 0.377 2.392) 3.150 9.578 ( 1.279 -4.467 6.152) 7.709 10.332 ( 5.589 2.715 -1.882) 6.493 10.401 ( 0.351 -4.992 -0.450) 5.024 10.793 ( 18.283 9.882 -2.065) 20.886 10.997 ( -15.834 3.515 -1.487) 16.288 11.100 ( -7.375 2.351 3.209) 8.379 11.372 ( 11.867 11.868 -1.602) 16.859 11.533 ( -15.437 -10.039 -8.206) 20.160 11.775 ( 1.484 -14.893 -2.035) 15.104 11.908 ( -11.097 0.314 -10.713) 15.427 12.036 ( 2.114 -0.116 6.681) 7.008 12.542 ( 6.487 -3.606 -6.403) 9.802 12.691 ( 6.391 1.623 4.679) 8.085 13.707 ( -5.745 18.358 -0.787) 19.252 14.208 ( -5.103 -11.840 -5.329) 13.951 14.289 ( 9.708 -2.884 -22.660) 24.820 14.540 ( -13.286 -1.951 -8.888) 16.104 14.679 ( -1.743 -2.040 -4.570) 5.299 14.927 ( -6.146 1.080 1.817) 6.499 15.128 ( 2.796 12.027 -4.405) 13.110 15.271 ( 5.703 -1.554 2.994) 6.626 15.694 ( 3.247 -6.457 -5.176) 8.889 15.940 ( 2.533 0.128 -13.282) 13.522 16.455 ( -4.472 1.095 -17.429) 18.027 16.564 ( -7.735 2.311 -4.006) 9.012 17.080 ( 19.855 -6.905 2.824) 21.211 18.145 ( -15.058 16.977 7.711) 23.967 18.430 ( 4.688 -7.086 1.821) 8.690 18.647 ( 0.600 -3.969 12.725) 13.343 20.127 ( 0.577 0.268 -30.808) 30.814 20.216 ( 3.144 1.946 -19.167) 19.520 20.868 ( -0.580 2.399 -0.971) 2.653 20.983 ( -2.024 -8.174 1.001) 8.481 21.153 ( 0.122 1.960 -4.662) 5.058 21.274 ( -3.189 -7.532 -3.406) 8.860 21.549 ( -3.473 2.253 7.742) 8.779 21.642 ( 6.918 2.602 -5.633) 9.293 21.874 ( 2.714 0.697 4.950) 5.689 21.981 ( -1.373 3.533 -1.314) 4.012 22.042 ( 1.483 -1.726 -1.793) 2.897 22.164 ( 4.688 -1.533 3.796) 6.224 22.325 ( 5.433 -4.627 13.196) 15.002 22.553 ( -5.733 6.066 1.924) 8.565 22.638 ( -3.204 2.269 5.599) 6.838 22.783 ( -0.958 -1.614 9.686) 9.866 22.865 ( 3.296 -4.943 4.046) 7.188 23.093 ( -4.689 2.094 4.330) 6.717 23.288 ( 15.662 -1.386 -5.371) 16.615 23.536 ( 1.135 0.283 3.022) 3.241 23.549 ( 6.528 -0.069 -1.318) 6.660 23.739 ( -9.574 1.091 -7.281) 12.077 24.085 ( -11.365 -0.708 -3.729) 11.982 24.168 ( 5.241 -0.813 8.824) 10.295 24.397 ( -6.145 4.592 5.974) 9.723 24.934 ( 10.227 -2.583 16.257) 19.379 25.501 ( -7.342 8.185 -5.355) 12.230 25.680 ( -7.419 -8.823 -10.011) 15.268 26.777 ( 7.241 -0.412 16.870) 18.363 26.911 ( -0.035 7.400 -5.091) 8.983 27.388 ( -2.107 -2.588 2.838) 4.381 27.536 ( 2.101 3.166 7.739) 8.622 27.682 ( -6.620 -0.392 7.261) 9.833 27.737 ( -8.926 1.848 13.420) 16.223 27.899 ( -3.389 -13.841 11.166) 18.104 28.813 ( -8.498 7.275 1.169) 11.248 28.848 ( 9.645 7.239 4.848) 12.998 29.042 ( 11.862 -8.467 5.951) 15.742 29.489 ( -3.423 -1.072 1.036) 3.734 30.097 ( 3.578 -2.169 -0.702) 4.243 32.350 ( 0.915 1.719 4.861) 5.236 32.387 ( 1.107 -1.901 4.975) 5.440 33.051 ( 21.333 -2.989 -3.222) 21.781 34.213 ( -14.443 8.174 -5.683) 17.542 34.710 ( -13.592 -9.606 -5.658) 17.579 35.386 ( 3.960 9.643 -23.259) 25.488 105.144 ( -0.060 0.364 3.978) 3.995 105.154 ( -0.748 -0.296 4.605) 4.675 106.986 ( -0.053 -0.802 -1.517) 1.717 107.087 ( 1.097 0.091 -1.861) 2.162 ======================= Grid point 61 (23/96) ======================= q-point: (-0.57 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 15.235 -16.649 20.667) 30.601 3.440 ( 19.105 -12.621 39.112) 45.322 3.532 ( -15.820 15.690 20.651) 30.380 3.887 ( -24.182 3.799 12.254) 27.375 4.126 ( -14.938 -1.182 3.432) 15.373 4.524 ( -15.082 -6.701 4.118) 17.009 4.798 ( -33.019 12.085 10.183) 36.606 5.227 ( 3.291 6.970 -1.245) 7.808 5.378 ( 20.145 -0.731 0.169) 20.159 5.562 ( -6.748 -7.129 3.324) 10.364 5.703 ( 26.148 5.754 -5.572) 27.347 6.308 ( -1.666 -7.268 -3.281) 8.146 6.454 ( 15.043 -2.430 4.337) 15.844 6.744 ( -2.353 6.391 3.298) 7.567 7.090 ( 0.407 -3.245 1.233) 3.495 7.354 ( 0.728 -10.311 11.106) 15.172 7.896 ( -5.519 13.053 -2.798) 14.445 8.129 ( -3.972 0.559 -2.386) 4.667 8.279 ( -0.245 6.454 -0.298) 6.465 8.497 ( 15.158 5.095 7.434) 17.635 8.762 ( 10.555 -9.307 2.330) 14.264 9.253 ( 9.560 4.312 0.775) 10.516 9.402 ( -6.693 -3.885 1.255) 7.840 9.693 ( 5.250 -1.238 6.321) 8.309 10.118 ( -19.098 -5.950 -2.262) 20.131 10.489 ( -22.744 -1.109 0.710) 22.782 10.688 ( 2.196 5.603 -6.014) 8.508 10.959 ( 10.661 3.548 1.227) 11.303 11.096 ( -6.278 3.587 -0.279) 7.235 11.224 ( -10.005 5.123 -0.692) 11.261 11.497 ( 9.217 -12.509 -7.783) 17.378 11.827 ( 3.622 -1.380 -7.687) 8.609 11.984 ( 7.131 -1.168 -2.681) 7.707 12.127 ( 3.831 -2.602 4.509) 6.464 12.700 ( 4.126 2.439 -0.059) 4.793 12.798 ( 6.882 -8.023 2.439) 10.848 13.359 ( -9.564 21.202 6.125) 24.052 14.232 ( -17.291 -8.055 -9.503) 21.311 14.287 ( 0.361 -10.145 -9.804) 14.113 14.548 ( 7.288 -3.366 -21.206) 22.675 14.753 ( 4.086 2.205 -4.997) 6.821 14.849 ( -2.433 -3.649 1.545) 4.650 15.075 ( 5.714 11.097 -9.195) 15.503 15.346 ( 5.143 3.938 0.648) 6.510 15.700 ( -2.879 -1.635 -11.897) 12.349 16.041 ( 1.350 -2.001 -19.137) 19.289 16.341 ( -5.878 -1.715 -0.507) 6.144 16.446 ( -5.475 -2.195 -5.362) 7.972 17.472 ( 15.233 -8.677 0.522) 17.539 17.734 ( -11.727 17.426 12.260) 24.321 18.449 ( -8.791 -5.054 3.899) 10.864 18.810 ( 16.332 2.266 8.811) 18.695 20.121 ( -0.766 0.199 -31.722) 31.732 20.229 ( 1.853 3.605 -18.187) 18.633 20.854 ( 1.159 1.252 -0.741) 1.860 21.059 ( -0.041 -9.735 1.469) 9.845 21.123 ( -2.383 0.202 -2.560) 3.503 21.285 ( -4.439 -7.533 -2.802) 9.182 21.460 ( -5.249 0.608 7.035) 8.798 21.708 ( 6.476 6.602 -5.845) 10.940 21.842 ( -5.639 0.067 1.411) 5.813 21.955 ( 2.413 0.201 0.979) 2.612 22.102 ( 3.167 0.759 0.177) 3.261 22.259 ( 6.518 1.357 4.553) 8.066 22.363 ( -7.591 -0.759 5.469) 9.387 22.480 ( -1.507 1.290 1.070) 2.254 22.574 ( 2.407 2.191 7.360) 8.048 22.766 ( -3.631 -4.530 9.779) 11.373 22.954 ( 1.603 -0.657 1.500) 2.292 23.025 ( 0.416 -0.594 1.863) 1.999 23.403 ( -9.126 4.068 -3.068) 10.453 23.557 ( 0.634 0.507 3.546) 3.638 23.619 ( 3.602 -1.304 -6.313) 7.385 23.662 ( 10.512 3.661 -1.694) 11.259 24.016 ( -0.993 -6.702 3.173) 7.481 24.210 ( -8.059 4.336 4.908) 10.385 24.299 ( 7.147 -0.262 7.511) 10.372 25.103 ( 5.784 5.507 12.754) 15.048 25.368 ( 5.011 2.015 -3.825) 6.618 25.715 ( -1.186 -8.985 -12.639) 15.552 26.723 ( -13.892 4.034 1.922) 14.593 26.833 ( -1.419 0.016 17.403) 17.461 27.390 ( -1.894 -3.665 2.576) 4.864 27.529 ( 0.332 3.073 9.261) 9.763 27.568 ( -4.749 -5.801 8.283) 11.173 27.699 ( 2.230 1.259 13.328) 13.572 28.063 ( 2.115 -17.032 6.314) 18.287 28.471 ( -13.774 5.231 1.405) 14.801 29.030 ( 11.987 9.105 0.064) 15.053 29.302 ( 8.956 6.224 5.192) 12.079 29.512 ( 13.333 -1.952 -1.353) 13.543 30.224 ( 11.787 2.719 -0.215) 12.098 32.318 ( -2.979 -0.093 4.921) 5.753 32.432 ( 2.398 0.373 4.342) 4.974 33.274 ( -1.397 5.093 -3.787) 6.498 33.936 ( -6.729 -1.170 -5.039) 8.487 34.585 ( -18.244 -17.577 -8.435) 26.701 35.308 ( -0.829 9.974 -13.114) 16.497 105.140 ( -0.058 0.195 4.282) 4.286 105.154 ( 0.204 -0.305 3.743) 3.761 106.994 ( 0.193 -0.741 -1.690) 1.856 107.104 ( 1.490 0.821 -2.150) 2.742 ======================= Grid point 62 (24/96) ======================= q-point: (-0.43 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -18.168 34.088 19.648) 43.338 3.070 ( -31.345 23.387 18.301) 43.179 3.454 ( -30.992 1.779 24.890) 39.789 3.771 ( 3.249 -11.029 23.539) 26.197 4.152 ( 1.631 -15.072 6.529) 16.506 4.352 ( 11.236 -34.143 26.509) 44.662 4.697 ( 0.131 -18.648 0.557) 18.656 5.247 ( 7.709 2.949 1.710) 8.429 5.490 ( -3.011 -15.984 9.557) 18.865 5.723 ( 9.863 2.092 -3.161) 10.567 6.008 ( 9.098 2.328 -5.132) 10.702 6.201 ( -5.666 4.711 1.002) 7.436 6.470 ( -17.658 0.097 -1.614) 17.732 6.903 ( 25.031 6.876 2.428) 26.072 7.118 ( 7.882 13.787 1.029) 15.915 7.348 ( -0.453 7.977 8.382) 11.580 7.766 ( 1.258 1.101 -6.529) 6.740 7.966 ( -10.236 8.803 -0.745) 13.521 8.155 ( 7.652 -1.901 2.947) 8.417 8.704 ( -1.149 8.573 -1.655) 8.807 8.918 ( -2.345 5.538 4.548) 7.540 9.286 ( -10.774 3.406 -0.635) 11.318 9.491 ( 19.376 0.293 2.017) 19.483 9.761 ( -2.542 -13.494 0.118) 13.732 9.988 ( 3.721 -3.862 1.851) 5.673 10.215 ( -8.083 -0.082 0.275) 8.088 10.486 ( -22.553 -5.153 -5.018) 23.673 10.777 ( -16.087 3.711 2.440) 16.689 11.065 ( 4.655 -2.024 -4.625) 6.868 11.347 ( 10.714 -6.573 -4.900) 13.491 11.791 ( 6.763 -3.158 -3.177) 8.112 11.924 ( 3.977 -7.016 -2.393) 8.412 12.128 ( 13.429 0.753 0.529) 13.461 12.235 ( 11.528 2.134 -0.269) 11.726 12.569 ( -7.260 12.961 -1.026) 14.892 12.826 ( -5.181 18.164 -2.563) 19.061 13.232 ( 1.217 -14.838 13.118) 19.842 14.161 ( -6.217 -19.536 -6.363) 21.466 14.332 ( -3.699 -0.873 -16.260) 16.698 14.551 ( -6.974 2.732 -9.263) 11.912 14.748 ( 0.783 -4.415 -10.535) 11.449 14.946 ( 8.272 1.301 -5.762) 10.164 15.153 ( 11.230 4.249 -6.139) 13.486 15.369 ( 5.266 10.716 3.377) 12.409 15.666 ( -4.124 -3.166 -8.948) 10.349 15.926 ( -8.983 6.801 -19.498) 22.520 16.315 ( -6.403 -5.169 -8.511) 11.839 16.471 ( 2.962 -8.768 0.301) 9.260 17.330 ( -6.569 20.335 9.299) 23.305 17.860 ( 9.939 -15.155 3.050) 18.379 18.319 ( -8.478 -0.104 4.988) 9.837 19.032 ( 13.914 6.557 5.729) 16.413 20.105 ( -0.753 0.536 -28.202) 28.217 20.217 ( 1.127 3.985 -15.574) 16.115 20.879 ( 2.811 0.466 -1.901) 3.425 21.064 ( -4.592 -1.238 -3.137) 5.697 21.130 ( -0.778 -2.597 1.872) 3.295 21.282 ( -3.408 -8.210 -0.216) 8.892 21.399 ( -4.168 -5.487 1.353) 7.022 21.734 ( 3.581 5.835 -6.804) 9.652 21.775 ( -0.554 2.777 2.237) 3.609 21.979 ( 0.435 0.963 -2.916) 3.101 22.099 ( -1.942 1.458 -0.297) 2.446 22.210 ( -7.228 2.640 0.515) 7.712 22.333 ( -2.923 -2.327 5.426) 6.588 22.442 ( 2.352 -0.010 -4.537) 5.111 22.564 ( -2.102 -1.003 8.566) 8.877 22.817 ( 4.066 -1.791 4.445) 6.285 22.926 ( -2.042 0.638 3.325) 3.954 23.115 ( 6.954 1.963 7.943) 10.738 23.188 ( -9.138 2.669 2.521) 9.848 23.538 ( -0.639 0.516 5.105) 5.171 23.624 ( 0.712 6.427 0.031) 6.466 23.826 ( 5.005 -0.666 -5.616) 7.552 24.026 ( -3.555 -1.960 13.763) 14.349 24.184 ( 6.536 -6.650 -1.337) 9.419 24.462 ( 12.417 0.665 0.967) 12.472 25.060 ( 2.669 10.674 8.758) 14.063 25.481 ( 1.458 -0.112 -0.874) 1.703 25.855 ( 10.625 -7.677 -9.570) 16.230 26.455 ( -17.621 -4.857 4.684) 18.869 26.736 ( -8.766 1.254 15.305) 17.682 27.384 ( -2.723 -3.538 2.836) 5.290 27.518 ( 1.897 3.459 9.147) 9.962 27.600 ( -1.332 -9.320 7.065) 11.771 27.768 ( 5.237 -1.723 14.892) 15.880 28.096 ( -8.836 -1.004 5.598) 10.508 28.443 ( 4.672 -14.333 0.126) 15.076 28.978 ( -5.822 7.294 -0.971) 9.383 29.425 ( 17.380 11.921 -0.909) 21.095 29.856 ( 32.028 11.043 5.854) 34.380 30.424 ( 19.426 10.028 0.378) 21.865 32.261 ( -4.252 -0.476 4.719) 6.370 32.448 ( 0.349 1.600 2.945) 3.369 32.901 ( -24.517 12.162 -1.831) 27.429 34.029 ( -5.266 -20.291 -7.818) 22.373 34.417 ( -22.045 -18.355 -10.932) 30.699 35.198 ( -1.571 8.289 -7.837) 11.515 105.139 ( 0.049 0.021 3.924) 3.924 105.167 ( 0.855 -0.592 4.419) 4.539 107.007 ( 0.525 -0.614 -2.010) 2.166 107.119 ( 1.900 1.854 -2.494) 3.642 ======================= Grid point 63 (25/96) ======================= q-point: (-0.29 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -15.936 39.460 28.255) 51.083 2.131 ( -49.384 27.034 16.858) 58.769 2.675 ( -20.227 41.054 50.961) 68.495 4.198 ( 9.650 -36.150 16.184) 40.766 4.564 ( 17.481 -28.418 9.397) 34.662 4.892 ( 5.814 -30.088 3.487) 30.842 4.985 ( 7.971 -38.209 19.251) 43.521 5.359 ( 5.110 0.989 1.846) 5.523 5.619 ( -14.252 -8.341 4.612) 17.145 5.698 ( -1.295 -15.007 5.824) 16.149 5.939 ( -3.846 5.587 -0.454) 6.797 6.141 ( -9.799 -8.558 0.180) 13.011 6.407 ( 19.486 12.387 -4.961) 23.617 6.867 ( -1.385 32.545 5.193) 32.985 7.067 ( 3.538 13.308 4.437) 14.467 7.315 ( 7.872 17.626 7.248) 20.620 7.740 ( -4.035 16.444 2.839) 17.168 8.005 ( 11.854 -5.061 -11.484) 17.263 8.323 ( 5.724 3.582 -1.849) 7.001 8.405 ( -8.255 12.069 -0.736) 14.640 8.727 ( -9.390 9.295 3.643) 13.706 9.026 ( -9.235 -1.707 0.371) 9.399 9.748 ( 4.144 -6.973 -5.285) 9.682 9.835 ( -7.745 -16.394 -6.451) 19.245 10.000 ( -1.828 5.763 -0.702) 6.086 10.152 ( -14.425 -6.905 -1.273) 16.043 10.378 ( 11.031 -1.950 3.563) 11.755 10.610 ( 0.209 2.405 0.821) 2.549 11.244 ( 8.574 -10.253 -4.361) 14.059 11.463 ( -2.850 -2.685 -5.479) 6.734 11.687 ( -12.941 3.589 -3.130) 13.790 12.090 ( 11.049 5.245 3.059) 12.608 12.280 ( 1.136 10.329 2.412) 10.668 12.419 ( 11.622 -1.766 -9.176) 14.913 12.473 ( 1.698 7.081 -1.774) 7.495 12.650 ( 10.902 -4.773 2.982) 12.269 13.339 ( -10.193 -13.847 5.227) 17.971 14.163 ( -7.175 1.515 -17.851) 19.298 14.373 ( -0.168 -15.762 -8.005) 17.680 14.462 ( -3.471 -11.280 -0.559) 11.815 14.796 ( 2.252 -0.643 -6.826) 7.217 15.058 ( 7.992 10.097 -5.081) 13.843 15.246 ( 3.943 7.764 6.463) 10.844 15.355 ( 5.890 2.666 -4.795) 8.050 15.609 ( -8.545 -3.321 -8.578) 12.555 15.716 ( -5.704 8.040 -15.017) 17.964 16.176 ( -10.840 2.942 -4.232) 12.003 16.633 ( 4.142 -9.455 -7.420) 12.712 17.112 ( 0.662 16.173 4.513) 16.804 18.119 ( 3.332 -13.104 2.174) 13.695 18.217 ( -4.006 -4.623 5.318) 8.106 19.114 ( 6.354 11.351 3.884) 13.576 20.083 ( -0.675 1.672 -22.568) 22.640 20.190 ( 0.397 4.295 -13.526) 14.197 20.930 ( 2.998 -0.208 -3.781) 4.830 21.000 ( -3.790 -0.690 -3.974) 5.535 21.099 ( -2.274 0.621 -1.792) 2.961 21.321 ( -1.995 -7.020 0.872) 7.350 21.436 ( 0.725 -7.559 -3.204) 8.242 21.716 ( -0.174 2.999 1.401) 3.314 21.756 ( 2.266 5.473 -7.841) 9.827 21.902 ( -7.489 2.662 -9.561) 12.433 22.049 ( -2.240 0.220 3.587) 4.235 22.144 ( 3.199 2.299 -2.796) 4.831 22.275 ( -6.245 -5.608 4.647) 9.594 22.500 ( 3.829 0.904 -3.740) 5.428 22.580 ( -0.403 -2.979 3.571) 4.668 22.846 ( 2.325 4.145 4.109) 6.283 22.925 ( 1.331 -0.408 7.669) 7.794 23.030 ( -7.006 0.015 3.883) 8.010 23.207 ( 5.284 4.617 13.307) 15.044 23.522 ( -0.050 2.278 3.833) 4.459 23.556 ( -1.094 4.972 2.852) 5.835 23.865 ( 0.425 -4.135 -0.794) 4.232 24.080 ( 4.575 -3.818 16.002) 17.076 24.354 ( 8.443 -0.900 -6.025) 10.411 24.680 ( 12.475 -1.374 -3.109) 12.930 25.000 ( -0.848 7.945 3.239) 8.622 25.426 ( -3.413 1.783 5.531) 6.740 26.117 ( 7.845 -4.348 0.200) 8.972 26.279 ( -9.894 -12.067 0.710) 15.621 26.558 ( -9.618 2.842 12.651) 16.144 27.378 ( -1.924 -3.631 3.429) 5.352 27.512 ( 1.471 3.693 7.640) 8.612 27.675 ( -1.242 -9.704 4.887) 10.935 27.868 ( 3.260 -2.236 13.473) 14.041 27.988 ( -4.478 -3.235 9.754) 11.210 28.658 ( 4.718 -7.001 -2.408) 8.779 28.826 ( -5.369 -0.202 0.264) 5.379 29.559 ( 9.529 7.349 -4.979) 13.023 30.405 ( 42.176 18.632 3.656) 46.253 30.701 ( 45.943 21.254 9.884) 51.577 32.166 ( -9.091 0.306 2.010) 9.315 32.371 ( -9.367 1.139 -1.142) 9.505 32.508 ( -6.503 5.405 5.710) 10.203 33.701 ( -70.157 -33.001 -20.113) 80.097 34.395 ( 2.455 -7.621 -4.434) 9.152 35.115 ( 0.022 6.296 -4.750) 7.887 105.140 ( 0.027 -0.131 3.587) 3.589 105.198 ( 1.649 -1.947 5.886) 6.415 107.021 ( 0.540 -0.391 -2.586) 2.670 107.133 ( 2.336 2.817 -3.458) 5.035 ======================= Grid point 64 (26/96) ======================= q-point: (-0.14 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 33.804 31.957) 46.518 1.534 ( 0.000 36.207 40.095) 54.024 2.141 ( 0.000 34.284 70.045) 77.986 4.657 ( -0.000 -39.399 15.795) 42.447 5.118 ( -0.000 -17.637 -5.375) 18.438 5.126 ( -0.000 -31.937 11.574) 33.969 5.333 ( 0.000 1.814 -0.363) 1.850 5.403 ( 0.000 0.043 -2.071) 2.072 5.545 ( -0.000 -50.430 23.966) 55.836 5.794 ( 0.000 4.133 -2.123) 4.646 5.932 ( -0.000 -12.282 4.346) 13.028 6.198 ( -0.000 -14.102 3.014) 14.420 6.496 ( 0.000 34.057 10.434) 35.619 6.521 ( 0.000 9.245 -2.915) 9.693 6.990 ( 0.000 12.005 6.363) 13.587 7.304 ( 0.000 22.685 6.086) 23.487 7.357 ( 0.000 15.894 5.568) 16.841 7.956 ( 0.000 32.319 0.889) 32.331 8.127 ( 0.000 25.690 2.944) 25.858 8.426 ( -0.000 -17.847 -11.454) 21.206 8.693 ( -0.000 -3.963 -4.348) 5.884 9.055 ( -0.000 -6.491 1.805) 6.737 9.763 ( -0.000 -21.467 -14.790) 26.069 9.893 ( 0.000 10.237 2.494) 10.536 9.952 ( 0.000 2.999 -5.394) 6.171 10.135 ( -0.000 -21.463 -3.920) 21.818 10.473 ( 0.000 1.229 0.861) 1.501 10.625 ( 0.000 3.881 1.055) 4.022 11.323 ( 0.000 12.081 -0.778) 12.106 11.489 ( -0.000 -3.136 -10.249) 10.718 11.501 ( -0.000 -0.030 6.196) 6.196 12.065 ( 0.000 3.706 -3.232) 4.917 12.261 ( 0.000 10.067 0.542) 10.081 12.331 ( 0.000 5.173 1.696) 5.444 12.664 ( -0.000 -9.860 -13.797) 16.958 12.997 ( -0.000 -17.222 5.654) 18.126 13.214 ( -0.000 -2.116 -5.133) 5.552 14.054 ( 0.000 4.285 -18.201) 18.698 14.490 ( -0.000 -7.784 -5.268) 9.399 14.595 ( -0.000 -18.023 10.711) 20.966 14.862 ( -0.000 -2.859 0.838) 2.979 14.951 ( 0.000 14.037 -4.073) 14.616 15.258 ( 0.000 1.269 4.506) 4.682 15.432 ( 0.000 4.988 -15.579) 16.358 15.483 ( -0.000 -3.234 -6.864) 7.588 15.617 ( 0.000 3.832 -7.662) 8.567 15.986 ( 0.000 11.746 3.123) 12.154 16.750 ( -0.000 -7.669 -10.451) 12.963 17.004 ( 0.000 10.338 -3.097) 10.792 18.140 ( 0.000 1.543 2.242) 2.722 18.361 ( -0.000 -20.316 5.502) 21.048 19.041 ( 0.000 14.251 3.364) 14.643 20.058 ( 0.000 1.928 -19.701) 19.795 20.155 ( 0.000 3.408 -14.092) 14.498 20.955 ( 0.000 2.918 -4.403) 5.282 20.969 ( -0.000 -2.696 -4.268) 5.048 21.080 ( -0.000 -0.574 -3.394) 3.442 21.356 ( -0.000 -5.025 -1.312) 5.193 21.492 ( 0.000 2.785 -9.635) 10.029 21.679 ( 0.000 2.822 4.695) 5.478 21.747 ( 0.000 3.424 -13.142) 13.580 21.787 ( 0.000 0.991 -5.931) 6.013 22.031 ( -0.000 -0.321 2.160) 2.183 22.217 ( -0.000 -3.387 4.278) 5.457 22.225 ( 0.000 1.972 3.719) 4.209 22.549 ( -0.000 -2.307 -11.073) 11.310 22.571 ( -0.000 -0.428 2.387) 2.425 22.889 ( 0.000 3.479 9.631) 10.240 22.891 ( 0.000 0.949 10.047) 10.092 22.966 ( -0.000 -0.869 0.832) 1.203 23.213 ( 0.000 2.071 13.586) 13.743 23.472 ( 0.000 7.321 3.258) 8.014 23.529 ( 0.000 0.658 4.509) 4.557 23.919 ( -0.000 -4.291 -2.143) 4.797 24.196 ( -0.000 -8.547 17.714) 19.668 24.447 ( 0.000 2.360 -9.087) 9.388 24.838 ( -0.000 -1.401 -3.943) 4.184 24.876 ( 0.000 4.054 -4.000) 5.695 25.406 ( -0.000 -1.267 14.749) 14.803 26.135 ( -0.000 -6.957 9.140) 11.487 26.396 ( -0.000 -7.194 -3.850) 8.159 26.399 ( 0.000 6.019 11.782) 13.231 27.394 ( -0.000 -3.341 3.950) 5.173 27.497 ( 0.000 2.153 5.956) 6.334 27.726 ( -0.000 -3.005 2.185) 3.715 27.924 ( -0.000 -7.439 7.402) 10.494 28.005 ( -0.000 -5.096 17.167) 17.907 28.642 ( 0.000 10.848 1.533) 10.955 28.869 ( -0.000 -10.098 -4.819) 11.189 29.615 ( -0.000 -2.268 -3.436) 4.117 30.456 ( 0.000 22.721 -4.431) 23.149 31.971 ( -0.000 -6.055 -4.338) 7.448 32.047 ( -0.000 -0.848 -1.356) 1.599 32.153 ( -0.000 -1.945 -4.836) 5.213 32.361 ( 0.000 3.998 3.224) 5.136 32.632 ( 0.000 0.273 11.591) 11.594 34.490 ( -0.000 -6.507 -4.070) 7.675 35.070 ( 0.000 4.649 -3.667) 5.921 105.142 ( -0.000 -0.217 3.304) 3.311 105.253 ( -0.000 -5.300 6.874) 8.680 107.027 ( 0.000 0.594 -3.349) 3.402 107.128 ( 0.000 3.678 -4.878) 6.109 ======================= Grid point 67 (27/96) ======================= q-point: ( 0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 18.570 -0.000 21.811) 28.645 3.234 ( 27.327 -0.000 50.771) 57.658 3.758 ( -20.728 0.000 4.302) 21.170 4.059 ( -24.031 0.000 2.295) 24.140 4.201 ( -18.311 0.000 12.641) 22.250 4.229 ( -20.558 0.000 8.170) 22.122 5.028 ( -21.510 0.000 7.274) 22.706 5.270 ( -32.626 0.000 8.666) 33.757 5.358 ( -1.732 0.000 1.812) 2.506 5.468 ( 38.282 -0.000 -3.783) 38.469 5.914 ( 11.043 -0.000 -0.005) 11.043 6.099 ( 7.993 -0.000 -9.167) 12.162 6.419 ( 20.684 -0.000 4.504) 21.168 6.846 ( -9.043 0.000 3.400) 9.661 7.035 ( 3.100 -0.000 9.073) 9.588 7.211 ( 9.839 -0.000 5.418) 11.232 8.069 ( -8.959 0.000 -3.953) 9.793 8.122 ( -2.139 0.000 -4.768) 5.226 8.397 ( 39.190 -0.000 4.611) 39.461 8.539 ( -24.178 0.000 -4.409) 24.577 8.621 ( 15.130 -0.000 7.766) 17.007 9.321 ( 16.820 -0.000 4.303) 17.362 9.335 ( -8.147 0.000 -0.825) 8.189 9.674 ( 1.713 -0.000 9.664) 9.814 10.058 ( -19.149 0.000 -2.243) 19.280 10.480 ( -20.726 0.000 -0.328) 20.728 10.745 ( 0.698 -0.000 -6.642) 6.679 11.036 ( -6.318 0.000 -3.380) 7.165 11.129 ( -9.382 0.000 -2.108) 9.616 11.276 ( 4.216 -0.000 -1.400) 4.442 11.376 ( 2.754 -0.000 -4.512) 5.285 11.796 ( 2.379 -0.000 -0.558) 2.443 11.934 ( 10.207 -0.000 -2.655) 10.547 12.133 ( 10.648 -0.000 5.847) 12.147 12.584 ( 2.227 -0.000 1.121) 2.493 12.834 ( 9.301 -0.000 1.818) 9.477 13.690 ( -10.042 0.000 -2.283) 10.298 14.004 ( -13.624 0.000 -0.378) 13.629 14.222 ( -11.597 0.000 -11.153) 16.090 14.504 ( 14.346 -0.000 -26.259) 29.922 14.792 ( 10.994 -0.000 -3.795) 11.631 14.806 ( -10.226 0.000 1.928) 10.406 15.189 ( -1.886 0.000 -5.629) 5.936 15.407 ( 12.511 -0.000 -6.789) 14.235 15.666 ( -2.476 0.000 -9.838) 10.145 16.009 ( 5.398 -0.000 -5.205) 7.499 16.331 ( -8.953 0.000 -15.361) 17.779 16.422 ( -9.817 0.000 -3.689) 10.487 17.378 ( 17.526 -0.000 0.179) 17.527 17.957 ( -16.227 0.000 11.517) 19.899 18.364 ( -3.934 0.000 4.900) 6.284 18.831 ( 17.285 -0.000 9.551) 19.748 20.124 ( -0.782 0.000 -32.072) 32.082 20.280 ( 2.778 -0.000 -18.049) 18.261 20.899 ( -0.353 0.000 2.380) 2.406 20.905 ( 1.334 -0.000 -1.809) 2.248 21.142 ( -3.042 0.000 -1.936) 3.606 21.181 ( -3.310 0.000 -2.086) 3.913 21.474 ( -6.552 0.000 8.612) 10.821 21.777 ( 6.517 -0.000 -6.751) 9.383 21.843 ( -4.829 0.000 1.162) 4.967 21.951 ( 0.794 -0.000 -1.696) 1.873 22.105 ( 2.739 -0.000 -0.414) 2.770 22.294 ( 8.751 -0.000 0.008) 8.751 22.334 ( -4.207 0.000 12.036) 12.751 22.530 ( -8.192 0.000 2.780) 8.651 22.571 ( 7.041 -0.000 5.302) 8.813 22.715 ( -7.363 0.000 10.522) 12.843 22.953 ( 8.952 -0.000 3.892) 9.761 23.010 ( -4.902 0.000 -0.774) 4.963 23.458 ( -10.989 0.000 -1.256) 11.061 23.553 ( 14.045 -0.000 -8.218) 16.273 23.589 ( -5.396 0.000 2.750) 6.056 23.730 ( 13.106 -0.000 -0.843) 13.133 23.934 ( -4.861 0.000 3.208) 5.825 24.260 ( -13.079 0.000 5.043) 14.017 24.293 ( 9.396 -0.000 6.961) 11.694 25.165 ( 17.293 -0.000 12.230) 21.181 25.448 ( -2.433 0.000 -7.531) 7.914 25.552 ( -2.832 0.000 -6.849) 7.411 26.792 ( -18.024 0.000 -2.763) 18.234 26.829 ( -1.153 0.000 18.228) 18.264 27.335 ( -2.173 0.000 2.420) 3.252 27.496 ( -7.065 0.000 10.330) 12.515 27.570 ( 0.911 -0.000 13.521) 13.551 27.744 ( 2.770 -0.000 11.727) 12.049 27.859 ( 4.702 -0.000 5.878) 7.528 28.517 ( -18.210 0.000 1.861) 18.305 29.126 ( 5.623 -0.000 -1.118) 5.733 29.405 ( 33.132 -0.000 4.442) 33.429 29.451 ( 2.673 -0.000 -2.011) 3.345 30.252 ( 14.951 -0.000 -0.330) 14.955 32.318 ( -3.390 0.000 5.158) 6.172 32.435 ( 3.211 -0.000 4.054) 5.172 33.321 ( 10.501 -0.000 -3.671) 11.124 33.952 ( -23.167 0.000 -6.914) 24.177 34.386 ( -16.898 0.000 -4.939) 17.605 35.412 ( -3.866 0.000 -14.286) 14.800 105.144 ( -0.169 0.000 4.202) 4.206 105.149 ( 0.185 -0.000 3.780) 3.784 106.986 ( 0.340 -0.000 -1.531) 1.569 107.113 ( 1.845 -0.000 -2.250) 2.910 ======================= Grid point 68 (28/96) ======================= q-point: (-0.57 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 8.067 -11.188 16.488) 21.496 3.368 ( -18.653 16.334 7.612) 25.936 3.569 ( -20.765 19.162 12.722) 30.988 3.673 ( 11.214 -4.660 39.162) 41.001 3.884 ( -2.930 -11.779 17.270) 21.109 4.168 ( -14.049 -18.135 5.588) 23.612 4.472 ( -23.516 19.120 18.915) 35.726 4.991 ( -16.225 -25.243 15.380) 33.720 5.397 ( 6.570 1.685 1.074) 6.867 5.751 ( 1.904 0.732 -2.596) 3.302 6.078 ( 4.735 4.766 -3.168) 7.428 6.191 ( -5.989 -4.222 -2.678) 7.802 6.573 ( -4.851 7.513 -1.124) 9.013 6.932 ( 29.153 -2.862 -2.865) 29.433 7.202 ( 21.304 -1.111 1.663) 21.397 7.431 ( 12.456 1.138 2.997) 12.862 7.890 ( -7.720 9.312 -2.659) 12.384 8.058 ( -0.377 -3.284 -0.027) 3.306 8.188 ( -10.029 8.481 -3.996) 13.729 8.801 ( -2.926 -0.135 -3.062) 4.238 8.967 ( 18.308 0.322 2.889) 18.537 9.341 ( 3.624 3.010 -1.149) 4.849 9.471 ( -12.524 -4.859 6.587) 14.962 9.637 ( 12.390 2.578 2.859) 12.974 9.872 ( 3.210 -6.255 5.049) 8.656 10.223 ( -14.666 -0.374 -5.987) 15.845 10.443 ( -16.528 -0.041 -0.496) 16.535 10.844 ( -17.083 -0.550 -6.847) 18.413 11.001 ( -13.055 1.516 0.967) 13.178 11.346 ( 19.003 2.268 -3.853) 19.522 11.702 ( -9.733 -5.018 3.147) 11.393 11.762 ( 17.079 -6.218 -7.192) 19.547 12.140 ( 13.856 -0.894 2.618) 14.130 12.303 ( 11.039 9.095 4.991) 15.149 12.683 ( 1.735 -13.949 6.779) 15.606 12.927 ( 5.549 11.005 -0.514) 12.336 13.396 ( -10.526 19.276 0.528) 21.969 13.788 ( -17.044 -18.382 -5.008) 25.563 14.216 ( -0.226 -7.349 -7.944) 10.824 14.564 ( -17.134 -0.466 -3.308) 17.456 14.712 ( 8.711 -0.694 -22.100) 23.765 14.985 ( 12.774 2.085 -6.311) 14.400 15.202 ( 5.087 0.876 -7.505) 9.109 15.549 ( 6.328 8.042 -12.713) 16.320 15.653 ( -0.379 -1.693 -7.973) 8.160 16.033 ( -2.153 4.878 -12.907) 13.965 16.231 ( -3.982 -1.902 -4.052) 5.991 16.316 ( -3.191 -7.259 -0.947) 7.986 17.599 ( 4.445 0.806 1.150) 4.662 17.702 ( -5.639 3.999 10.723) 12.758 18.296 ( -5.688 -1.718 6.145) 8.548 19.113 ( 16.409 2.124 6.730) 17.862 20.116 ( 0.218 0.402 -29.249) 29.252 20.300 ( 2.082 3.649 -14.432) 15.031 20.895 ( 1.676 1.596 -0.997) 2.521 20.980 ( 0.882 -7.947 1.210) 8.087 21.070 ( -3.445 0.883 0.795) 3.644 21.156 ( -3.418 -5.241 -2.228) 6.642 21.349 ( -7.849 -0.434 4.880) 9.252 21.791 ( -0.831 1.222 0.895) 1.728 21.847 ( 3.743 3.080 -6.314) 7.960 21.976 ( 1.014 -0.937 -4.541) 4.746 22.108 ( -2.929 -0.133 -7.236) 7.808 22.224 ( -7.634 -0.207 4.837) 9.040 22.309 ( -8.470 -0.217 0.077) 8.473 22.482 ( 5.726 2.396 0.589) 6.235 22.567 ( -5.813 0.848 7.135) 9.242 22.755 ( 9.263 -3.147 6.564) 11.781 22.947 ( -2.128 0.878 -0.156) 2.307 23.131 ( 11.552 0.137 8.433) 14.303 23.239 ( -11.953 1.919 1.608) 12.213 23.547 ( -1.000 0.369 6.753) 6.836 23.695 ( 3.229 0.959 -0.450) 3.398 23.845 ( -2.518 2.185 1.041) 3.493 24.001 ( 7.298 -0.616 3.123) 7.962 24.074 ( -0.809 -4.207 3.664) 5.637 24.470 ( 11.993 0.143 3.043) 12.374 25.294 ( 2.853 12.585 -0.671) 12.922 25.490 ( 4.772 1.042 -0.488) 4.908 25.644 ( 9.675 -12.839 -1.789) 16.175 26.434 ( -21.787 0.891 2.518) 21.950 26.747 ( -8.021 -0.017 16.675) 18.504 27.319 ( -2.012 -2.880 1.884) 3.987 27.446 ( -2.370 -3.915 10.581) 11.528 27.591 ( 2.494 1.886 14.388) 14.724 27.777 ( 3.977 2.994 10.542) 11.658 27.991 ( 2.493 -8.309 4.749) 9.890 28.286 ( -8.709 -2.202 1.785) 9.159 29.076 ( -6.593 2.685 -1.917) 7.372 29.588 ( 13.494 4.712 -5.616) 15.357 30.002 ( 41.100 3.961 3.183) 41.413 30.561 ( 24.754 3.941 0.069) 25.066 32.257 ( -3.975 -0.059 4.874) 6.289 32.470 ( 0.940 0.617 2.369) 2.623 33.169 ( -23.333 15.274 -2.888) 28.037 33.614 ( -27.063 -20.219 -7.060) 34.512 34.219 ( -5.250 -4.468 -4.342) 8.148 35.315 ( -4.737 3.484 -8.387) 10.243 105.142 ( 0.143 0.312 3.767) 3.782 105.156 ( 0.327 -0.514 4.088) 4.133 106.995 ( 0.515 -0.419 -1.739) 1.861 107.143 ( 2.087 0.615 -2.706) 3.472 ======================= Grid point 69 (29/96) ======================= q-point: (-0.43 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -30.637 28.245 11.995) 43.362 2.818 ( -8.863 41.003 13.557) 44.086 3.380 ( 3.326 6.372 28.557) 29.447 3.670 ( -10.383 8.139 21.720) 25.412 3.975 ( 2.841 -28.907 17.081) 33.697 4.265 ( 10.427 -26.723 34.121) 44.577 4.420 ( -4.196 -29.877 5.825) 30.727 5.096 ( -4.783 -30.019 17.045) 34.850 5.483 ( 3.960 1.474 0.810) 4.302 5.635 ( -13.506 0.370 -1.809) 13.632 5.928 ( -13.047 -5.816 0.517) 14.294 6.090 ( -3.369 2.471 -2.603) 4.922 6.677 ( 21.350 15.649 -4.822) 26.906 7.245 ( 11.066 6.887 -3.984) 13.629 7.459 ( 7.466 21.674 2.871) 23.103 7.604 ( 10.705 11.011 2.594) 15.574 7.780 ( 8.931 -8.700 -7.140) 14.367 8.039 ( 3.962 15.099 -0.061) 15.610 8.229 ( 3.893 -8.927 -3.463) 10.336 8.564 ( -8.209 4.684 -3.454) 10.063 8.938 ( -20.127 4.552 0.326) 20.638 9.043 ( -10.546 -2.236 -2.554) 11.079 9.600 ( 0.860 -0.920 -2.051) 2.407 9.671 ( -10.358 -6.164 -6.226) 13.566 9.984 ( 4.468 4.774 6.736) 9.388 10.294 ( -1.724 3.642 4.440) 5.996 10.317 ( 19.045 2.261 0.732) 19.193 10.620 ( -3.266 -2.507 -2.000) 4.578 10.912 ( -7.356 -15.454 -6.764) 18.403 11.473 ( -6.384 -5.608 0.244) 8.500 11.620 ( 1.138 -0.516 0.210) 1.267 12.092 ( 12.917 -6.695 -5.436) 15.531 12.338 ( 0.516 -6.154 4.024) 7.371 12.398 ( 14.244 3.421 5.527) 15.657 12.651 ( -1.550 22.740 -2.527) 22.933 12.911 ( 0.217 3.092 2.840) 4.203 13.110 ( -7.047 4.135 7.265) 10.933 13.845 ( -5.011 -26.301 -6.462) 27.543 14.226 ( -4.348 -4.749 -7.483) 9.871 14.344 ( -10.531 -4.464 -7.531) 13.694 14.809 ( 4.130 1.674 -16.479) 17.071 15.167 ( 12.880 3.792 -7.462) 15.361 15.317 ( 8.072 0.064 -7.827) 11.244 15.480 ( -4.861 6.615 -4.681) 9.449 15.612 ( -4.855 2.075 -12.164) 13.261 15.908 ( -1.455 12.156 -10.761) 16.300 16.171 ( -5.396 -2.148 -7.163) 9.221 16.449 ( 5.062 -9.215 -1.376) 10.604 17.436 ( -2.251 15.475 11.423) 19.365 17.814 ( 1.815 -13.910 1.755) 14.137 18.219 ( -3.930 0.426 4.822) 6.235 19.282 ( 8.349 6.317 4.450) 11.376 20.117 ( 0.748 1.680 -23.732) 23.803 20.286 ( 1.406 5.445 -11.039) 12.389 20.897 ( -1.915 -2.237 -1.587) 3.345 21.008 ( 0.912 0.574 -1.184) 1.600 21.087 ( -0.587 -3.081 -1.787) 3.610 21.175 ( -0.367 -7.497 0.647) 7.534 21.268 ( -4.486 -6.415 1.473) 7.965 21.772 ( 0.176 2.574 4.270) 4.989 21.845 ( -0.577 3.139 -12.007) 12.424 21.950 ( -4.201 2.549 -13.073) 13.966 22.049 ( -2.483 -0.481 2.294) 3.414 22.140 ( -2.059 -1.851 -6.557) 7.117 22.180 ( -7.129 -3.621 0.887) 8.045 22.529 ( 2.487 0.599 6.554) 7.035 22.562 ( 3.394 1.697 -1.888) 4.238 22.892 ( 3.511 0.291 2.664) 4.417 22.915 ( -0.105 -0.222 3.031) 3.041 23.052 ( -7.160 2.212 6.617) 9.997 23.295 ( 8.553 3.737 13.418) 16.345 23.538 ( 0.568 0.569 7.209) 7.254 23.647 ( -4.450 3.832 3.324) 6.748 23.784 ( -2.766 -4.190 2.560) 5.636 24.015 ( 0.837 -2.758 15.182) 15.453 24.320 ( 13.551 -2.177 -10.303) 17.161 24.676 ( 13.115 0.259 -0.611) 13.132 25.157 ( -7.410 7.485 -5.059) 11.685 25.508 ( 3.275 6.990 6.361) 10.002 25.967 ( 11.750 -12.095 -0.979) 16.891 26.128 ( -15.407 -2.876 5.804) 16.713 26.600 ( -8.102 1.410 14.058) 16.287 27.315 ( -1.590 -2.829 2.112) 3.872 27.477 ( -1.138 -8.236 9.404) 12.552 27.597 ( 1.539 4.292 11.473) 12.346 27.833 ( 3.887 -0.895 12.937) 13.538 27.981 ( -5.085 0.492 6.492) 8.261 28.355 ( 2.609 -16.135 -0.125) 16.345 28.934 ( -5.113 5.279 -1.542) 7.509 29.716 ( 7.966 7.291 -7.389) 13.085 30.678 ( 44.549 10.108 -0.451) 45.683 30.994 ( 39.998 9.711 0.995) 41.172 32.177 ( -7.005 0.719 3.241) 7.752 32.403 ( -12.217 1.772 -4.248) 13.056 32.632 ( -15.643 8.225 5.623) 18.547 33.189 ( -51.571 -21.805 -6.000) 56.312 34.269 ( 3.137 -5.132 -3.639) 7.030 35.217 ( -2.492 4.060 -5.122) 6.994 105.141 ( 0.087 0.299 3.666) 3.680 105.170 ( 0.517 -1.120 4.508) 4.674 107.009 ( 0.426 -0.678 -2.045) 2.196 107.167 ( 1.760 1.021 -3.371) 3.938 ======================= Grid point 70 (30/96) ======================= q-point: (-0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 41.134 20.120) 45.791 2.316 ( 0.000 44.810 21.594) 49.741 2.975 ( 0.000 49.030 41.827) 64.447 3.907 ( -0.000 -39.397 15.302) 42.264 4.384 ( -0.000 -40.992 21.266) 46.180 4.660 ( -0.000 -29.624 -2.129) 29.700 4.693 ( -0.000 -37.427 32.676) 49.684 5.288 ( -0.000 -14.666 8.513) 16.958 5.465 ( 0.000 3.585 -2.050) 4.129 5.532 ( -0.000 -11.811 6.292) 13.383 5.897 ( -0.000 -5.853 -1.103) 5.956 6.037 ( 0.000 1.421 -2.467) 2.847 6.747 ( 0.000 14.627 -4.075) 15.184 7.165 ( 0.000 31.771 2.560) 31.874 7.268 ( 0.000 15.819 3.938) 16.301 7.650 ( 0.000 12.578 0.996) 12.617 7.740 ( 0.000 21.852 0.328) 21.854 8.085 ( -0.000 -15.827 -7.077) 17.337 8.184 ( 0.000 9.747 -6.663) 11.806 8.587 ( -0.000 -6.887 -2.517) 7.333 8.841 ( 0.000 23.185 4.800) 23.677 8.907 ( -0.000 -8.983 -1.719) 9.146 9.390 ( -0.000 -13.511 -16.418) 21.263 9.869 ( -0.000 -0.091 5.559) 5.559 9.877 ( -0.000 -3.545 3.253) 4.811 10.160 ( 0.000 10.316 1.596) 10.439 10.508 ( 0.000 1.952 -2.152) 2.905 10.675 ( 0.000 1.356 -0.798) 1.573 11.052 ( -0.000 -26.738 -11.670) 29.174 11.466 ( -0.000 -8.486 4.276) 9.502 11.594 ( 0.000 8.682 -0.731) 8.713 12.285 ( 0.000 14.585 -2.169) 14.746 12.293 ( -0.000 -7.823 -2.892) 8.340 12.519 ( 0.000 2.620 5.982) 6.531 12.536 ( -0.000 -1.654 -0.222) 1.669 12.801 ( 0.000 13.248 2.547) 13.491 13.088 ( -0.000 -11.573 4.554) 12.437 14.024 ( -0.000 -18.234 -10.472) 21.027 14.265 ( -0.000 -3.679 -15.265) 15.702 14.294 ( -0.000 -12.433 3.467) 12.907 14.834 ( 0.000 0.432 -10.455) 10.464 15.277 ( 0.000 13.657 -5.687) 14.794 15.310 ( 0.000 3.208 2.623) 4.144 15.435 ( -0.000 -2.063 -6.484) 6.805 15.503 ( 0.000 3.029 -16.715) 16.987 15.771 ( 0.000 12.828 -8.353) 15.308 16.117 ( 0.000 2.183 -6.376) 6.739 16.580 ( -0.000 -9.348 -5.834) 11.019 17.273 ( 0.000 16.542 9.087) 18.873 17.985 ( -0.000 -18.733 3.468) 19.051 18.174 ( 0.000 1.655 3.274) 3.668 19.270 ( 0.000 9.904 3.646) 10.554 20.102 ( 0.000 2.585 -20.668) 20.829 20.244 ( 0.000 5.652 -11.124) 12.478 20.904 ( -0.000 -3.886 -2.214) 4.472 21.028 ( 0.000 3.825 -5.736) 6.894 21.060 ( -0.000 -1.276 -3.185) 3.432 21.242 ( -0.000 -6.553 3.028) 7.219 21.343 ( -0.000 -12.671 0.636) 12.687 21.741 ( 0.000 3.427 3.564) 4.944 21.806 ( 0.000 0.837 -11.719) 11.749 21.871 ( 0.000 6.496 -16.142) 17.400 22.027 ( -0.000 -0.051 4.109) 4.109 22.144 ( -0.000 -3.893 5.799) 6.984 22.187 ( -0.000 -4.868 -9.831) 10.970 22.559 ( 0.000 2.641 -3.927) 4.733 22.566 ( -0.000 -0.063 1.175) 1.176 22.886 ( -0.000 -1.024 5.822) 5.911 22.949 ( -0.000 -0.456 4.016) 4.042 22.964 ( 0.000 3.992 8.154) 9.079 23.313 ( 0.000 6.543 15.148) 16.500 23.549 ( 0.000 1.520 5.964) 6.154 23.563 ( 0.000 2.544 5.411) 5.979 23.819 ( -0.000 -5.850 0.366) 5.861 24.065 ( -0.000 -5.374 17.652) 18.452 24.458 ( -0.000 -0.774 -12.908) 12.931 24.844 ( 0.000 1.544 -3.004) 3.378 24.964 ( 0.000 4.719 -5.620) 7.339 25.472 ( 0.000 7.564 12.009) 14.193 26.021 ( -0.000 -4.934 7.845) 9.268 26.200 ( -0.000 -12.422 -2.070) 12.593 26.492 ( 0.000 3.821 12.624) 13.190 27.329 ( -0.000 -3.193 2.704) 4.184 27.558 ( -0.000 -10.852 7.421) 13.147 27.565 ( 0.000 4.705 9.250) 10.378 27.906 ( 0.000 2.408 6.641) 7.064 27.909 ( -0.000 -4.480 15.347) 15.988 28.556 ( -0.000 -19.545 -1.363) 19.593 28.827 ( 0.000 7.953 -0.834) 7.996 29.706 ( 0.000 8.388 -6.943) 10.888 30.886 ( 0.000 22.023 -4.790) 22.538 31.823 ( -0.000 -9.803 -5.010) 11.009 32.035 ( -0.000 -0.247 -1.982) 1.997 32.114 ( -0.000 -2.125 -2.852) 3.557 32.444 ( 0.000 4.451 2.532) 5.121 32.635 ( -0.000 -0.166 10.996) 10.998 34.357 ( -0.000 -6.725 -3.632) 7.643 35.160 ( 0.000 4.328 -4.020) 5.907 105.140 ( 0.000 0.100 3.600) 3.601 105.191 ( -0.000 -1.989 5.241) 5.606 107.019 ( -0.000 -0.773 -2.356) 2.480 107.174 ( 0.000 1.317 -4.279) 4.477 ======================= Grid point 75 (31/96) ======================= q-point: (-0.57 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -0.048 0.000 15.209) 15.209 3.338 ( -3.467 0.000 8.128) 8.836 3.437 ( -4.635 0.000 14.589) 15.307 3.560 ( -14.940 0.000 1.882) 15.058 3.822 ( -6.999 0.000 14.557) 16.152 3.989 ( 12.451 -0.000 49.604) 51.143 4.387 ( -13.509 0.000 18.375) 22.806 4.500 ( -11.097 0.000 28.654) 30.728 5.505 ( 3.139 -0.000 -0.421) 3.167 5.645 ( -9.963 0.000 -2.232) 10.210 5.861 ( -16.424 0.000 1.706) 16.512 6.118 ( -1.687 0.000 -3.638) 4.010 6.892 ( 23.748 -0.000 -1.790) 23.815 7.227 ( 15.427 -0.000 -13.705) 20.635 7.619 ( 6.802 -0.000 -0.052) 6.802 7.714 ( 28.800 -0.000 3.377) 28.997 7.803 ( -8.427 0.000 -0.888) 8.474 8.097 ( 8.438 -0.000 -3.524) 9.144 8.229 ( 9.665 -0.000 -1.311) 9.754 8.597 ( -16.954 0.000 -5.192) 17.731 8.969 ( -27.243 0.000 2.522) 27.360 8.988 ( -13.508 0.000 -8.842) 16.144 9.593 ( 18.650 -0.000 6.238) 19.666 9.606 ( -25.848 0.000 -11.738) 28.388 10.129 ( 13.874 -0.000 4.796) 14.679 10.187 ( 24.017 -0.000 6.216) 24.809 10.453 ( 7.490 -0.000 2.689) 7.958 10.525 ( -13.891 0.000 -10.947) 17.686 10.835 ( -9.241 0.000 4.903) 10.461 11.313 ( -20.222 0.000 6.931) 21.377 11.684 ( 11.191 -0.000 -5.550) 12.492 11.983 ( 11.802 -0.000 -8.078) 14.302 12.283 ( 0.183 -0.000 1.945) 1.953 12.573 ( 2.682 -0.000 11.402) 11.713 12.608 ( 12.525 -0.000 11.811) 17.216 13.095 ( 3.500 -0.000 -3.647) 5.055 13.359 ( -14.920 0.000 -2.482) 15.125 13.388 ( -6.138 0.000 -3.500) 7.066 14.163 ( -2.502 0.000 -5.337) 5.894 14.289 ( -11.625 0.000 -5.567) 12.889 14.830 ( 4.821 -0.000 -21.104) 21.648 15.213 ( 12.887 -0.000 -9.390) 15.946 15.309 ( 7.173 -0.000 -6.913) 9.962 15.557 ( -5.049 0.000 -5.844) 7.723 15.616 ( -6.811 0.000 -24.070) 25.015 16.058 ( 0.013 -0.000 -8.182) 8.182 16.162 ( -5.558 0.000 -1.434) 5.740 16.328 ( 10.152 -0.000 0.682) 10.175 17.608 ( -4.949 0.000 12.495) 13.439 17.662 ( 1.172 -0.000 -0.415) 1.243 18.219 ( -3.080 0.000 6.046) 6.785 19.343 ( 9.415 -0.000 5.066) 10.692 20.135 ( 1.368 -0.000 -24.250) 24.288 20.352 ( 1.890 -0.000 -9.605) 9.789 20.876 ( -4.446 0.000 0.138) 4.448 20.981 ( 4.006 -0.000 3.114) 5.074 21.069 ( 2.187 -0.000 0.031) 2.187 21.078 ( -2.515 0.000 -3.000) 3.915 21.223 ( -6.665 0.000 -0.798) 6.713 21.799 ( 0.536 -0.000 4.952) 4.981 21.873 ( -3.626 0.000 -12.567) 13.079 21.989 ( 1.232 -0.000 -9.839) 9.916 22.030 ( -2.865 0.000 -11.356) 11.711 22.117 ( -5.210 0.000 5.018) 7.233 22.147 ( -8.018 0.000 -3.650) 8.809 22.530 ( 1.708 -0.000 6.676) 6.891 22.591 ( 3.953 -0.000 -0.551) 3.991 22.887 ( 6.619 -0.000 4.189) 7.833 22.914 ( -3.129 0.000 0.536) 3.174 23.079 ( -7.049 0.000 5.677) 9.051 23.332 ( 10.732 -0.000 13.215) 17.024 23.545 ( 0.898 -0.000 7.850) 7.902 23.705 ( -9.264 0.000 7.043) 11.637 23.720 ( -0.921 0.000 2.066) 2.262 23.987 ( -0.961 0.000 14.922) 14.953 24.295 ( 15.530 -0.000 -12.257) 19.784 24.679 ( 13.574 -0.000 1.303) 13.636 25.233 ( -12.701 0.000 -8.221) 15.130 25.647 ( 8.038 -0.000 -4.012) 8.983 25.775 ( 11.714 -0.000 11.013) 16.078 26.108 ( -16.229 0.000 5.036) 16.992 26.612 ( -7.218 0.000 14.418) 16.124 27.283 ( -0.888 0.000 1.921) 2.117 27.399 ( -1.231 0.000 10.641) 10.712 27.642 ( 2.134 -0.000 15.911) 16.054 27.849 ( 2.302 -0.000 8.837) 9.132 27.968 ( -1.032 0.000 5.851) 5.942 28.185 ( -1.265 0.000 1.022) 1.626 28.985 ( -4.998 0.000 -2.196) 5.459 29.790 ( 7.905 -0.000 -8.016) 11.258 30.775 ( 48.435 -0.000 -0.752) 48.441 31.082 ( 34.578 -0.000 -1.480) 34.610 32.185 ( -5.530 0.000 3.820) 6.721 32.422 ( -12.896 0.000 -5.363) 13.967 32.797 ( -28.501 0.000 6.509) 29.235 32.897 ( -36.457 0.000 -3.917) 36.666 34.219 ( 3.168 -0.000 -3.387) 4.638 35.257 ( -3.526 0.000 -5.305) 6.370 105.149 ( 0.238 -0.000 3.337) 3.345 105.156 ( 0.151 -0.000 4.471) 4.473 107.002 ( 0.436 -0.000 -1.885) 1.935 107.176 ( 1.475 -0.000 -3.192) 3.516 ======================= Grid point 77 (32/96) ======================= q-point: (-0.43 0.43 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 0.000 32.621 15.147) 35.966 3.147 ( 0.000 40.730 6.240) 41.205 3.321 ( -0.000 -14.346 16.164) 21.612 3.681 ( -0.000 -35.052 16.347) 38.676 3.839 ( 0.000 27.700 21.795) 35.246 4.076 ( -0.000 -17.132 11.749) 20.773 4.173 ( -0.000 -15.016 49.414) 51.645 4.720 ( -0.000 -37.711 22.045) 43.681 5.494 ( 0.000 2.167 -1.019) 2.395 5.538 ( 0.000 1.763 -2.260) 2.866 5.763 ( -0.000 -5.260 0.537) 5.287 6.096 ( 0.000 2.133 -3.667) 4.243 7.049 ( 0.000 15.566 -2.933) 15.840 7.425 ( -0.000 -5.062 -7.370) 8.941 7.581 ( 0.000 11.143 -2.548) 11.430 7.731 ( 0.000 2.196 -1.253) 2.529 8.005 ( 0.000 4.210 4.917) 6.473 8.081 ( 0.000 12.204 -8.956) 15.138 8.344 ( 0.000 5.347 3.288) 6.277 8.461 ( -0.000 -5.054 -2.030) 5.447 8.744 ( -0.000 -6.434 -6.005) 8.801 8.856 ( -0.000 -7.367 -7.944) 10.835 9.314 ( 0.000 0.283 -12.089) 12.092 9.829 ( -0.000 -1.297 7.476) 7.587 10.132 ( 0.000 14.136 1.027) 14.173 10.265 ( 0.000 1.528 4.090) 4.366 10.559 ( 0.000 2.910 -2.093) 3.585 10.668 ( -0.000 -7.173 -1.310) 7.292 10.676 ( -0.000 -0.910 -3.547) 3.662 11.175 ( -0.000 -17.117 12.009) 20.909 11.754 ( 0.000 5.740 -7.355) 9.330 12.170 ( -0.000 -3.326 -6.786) 7.557 12.206 ( -0.000 -7.657 6.665) 10.151 12.581 ( 0.000 6.216 9.578) 11.419 12.821 ( -0.000 -14.412 12.945) 19.372 12.906 ( 0.000 28.905 -3.055) 29.066 13.155 ( 0.000 13.440 -1.940) 13.579 13.536 ( -0.000 -28.266 -7.122) 29.149 14.143 ( -0.000 -3.822 -2.067) 4.345 14.223 ( -0.000 -2.808 -9.880) 10.271 14.862 ( 0.000 1.477 -18.921) 18.979 15.361 ( 0.000 2.081 -0.191) 2.090 15.401 ( -0.000 -1.525 -4.970) 5.199 15.446 ( 0.000 6.113 -17.847) 18.865 15.522 ( -0.000 -1.624 -20.589) 20.653 16.021 ( 0.000 9.482 -0.736) 9.511 16.111 ( -0.000 -1.305 -10.075) 10.159 16.448 ( -0.000 -3.720 -0.255) 3.729 17.529 ( 0.000 8.181 12.443) 14.892 17.707 ( -0.000 -8.892 0.811) 8.929 18.192 ( 0.000 0.294 5.062) 5.071 19.403 ( 0.000 3.845 4.236) 5.721 20.142 ( 0.000 1.286 -21.397) 21.436 20.349 ( 0.000 4.309 -7.834) 8.941 20.841 ( -0.000 -2.172 0.747) 2.297 21.042 ( -0.000 -0.498 -4.105) 4.135 21.056 ( -0.000 -2.394 1.321) 2.734 21.140 ( -0.000 -3.309 5.015) 6.008 21.149 ( -0.000 -4.150 -6.309) 7.552 21.795 ( 0.000 1.880 4.350) 4.739 21.815 ( 0.000 0.104 -16.370) 16.370 21.976 ( 0.000 4.689 -15.671) 16.358 22.034 ( 0.000 0.876 4.097) 4.189 22.081 ( -0.000 -2.548 6.950) 7.402 22.089 ( -0.000 -4.797 -13.941) 14.743 22.567 ( 0.000 0.082 1.523) 1.525 22.607 ( 0.000 1.719 -0.333) 1.751 22.870 ( -0.000 -0.469 3.672) 3.701 22.944 ( -0.000 -0.224 3.459) 3.467 23.022 ( 0.000 1.790 6.404) 6.649 23.416 ( 0.000 3.524 16.262) 16.640 23.583 ( 0.000 0.102 7.695) 7.695 23.584 ( 0.000 1.853 8.118) 8.327 23.721 ( -0.000 -3.791 1.568) 4.103 23.992 ( -0.000 -2.158 15.843) 15.989 24.437 ( -0.000 -0.927 -13.628) 13.659 24.871 ( 0.000 0.855 -0.630) 1.062 25.032 ( 0.000 2.035 -6.782) 7.080 25.657 ( 0.000 10.418 2.996) 10.840 25.956 ( -0.000 -1.765 7.095) 7.311 25.964 ( -0.000 -11.407 4.360) 12.212 26.541 ( 0.000 1.286 13.044) 13.107 27.283 ( -0.000 -1.453 1.852) 2.354 27.408 ( -0.000 -4.220 10.227) 11.064 27.647 ( 0.000 2.860 14.197) 14.482 27.865 ( 0.000 0.192 10.217) 10.219 27.946 ( 0.000 1.251 6.682) 6.798 28.241 ( -0.000 -11.336 0.372) 11.342 28.929 ( 0.000 2.769 -2.097) 3.473 29.836 ( 0.000 4.080 -8.247) 9.201 31.265 ( 0.000 17.496 -5.438) 18.322 31.603 ( -0.000 -13.159 -4.982) 14.071 32.041 ( 0.000 0.793 -3.683) 3.768 32.076 ( -0.000 -1.672 -0.605) 1.778 32.514 ( 0.000 2.445 1.963) 3.135 32.625 ( -0.000 -0.685 11.077) 11.098 34.263 ( -0.000 -2.778 -3.350) 4.352 35.218 ( 0.000 1.678 -4.232) 4.552 105.147 ( 0.000 0.547 3.565) 3.607 105.164 ( -0.000 -1.036 4.363) 4.485 107.007 ( -0.000 -0.387 -2.011) 2.048 107.188 ( 0.000 0.291 -3.499) 3.512 ======================= Grid point 102 (33/96) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 0.000 45.760) 45.760 2.164 ( 0.000 0.000 50.405) 50.405 3.479 ( 0.000 0.000 71.225) 71.225 5.199 ( 0.000 0.000 -4.400) 4.400 5.254 ( 0.000 0.000 -2.441) 2.441 5.385 ( 0.000 0.000 -3.895) 3.895 5.429 ( 0.000 0.000 11.255) 11.255 5.608 ( 0.000 0.000 -1.249) 1.249 5.782 ( 0.000 0.000 21.385) 21.385 6.051 ( 0.000 0.000 -3.816) 3.816 6.234 ( 0.000 0.000 26.544) 26.544 6.361 ( 0.000 0.000 -1.785) 1.785 6.567 ( 0.000 0.000 9.932) 9.932 6.929 ( 0.000 0.000 20.893) 20.893 7.047 ( 0.000 0.000 12.178) 12.178 7.376 ( 0.000 0.000 14.494) 14.494 7.388 ( 0.000 0.000 13.521) 13.521 7.655 ( 0.000 0.000 26.154) 26.154 7.827 ( 0.000 0.000 0.494) 0.494 8.451 ( 0.000 0.000 -13.068) 13.068 8.460 ( 0.000 0.000 -11.481) 11.481 9.091 ( 0.000 0.000 -5.395) 5.395 9.672 ( 0.000 0.000 -19.864) 19.864 9.769 ( 0.000 0.000 -1.237) 1.237 9.867 ( 0.000 0.000 0.831) 0.831 10.123 ( 0.000 0.000 -15.905) 15.905 10.574 ( 0.000 0.000 2.832) 2.832 10.633 ( 0.000 0.000 7.189) 7.189 11.150 ( 0.000 0.000 -5.491) 5.491 11.289 ( 0.000 0.000 -5.973) 5.973 11.682 ( 0.000 0.000 7.679) 7.679 11.712 ( 0.000 0.000 -21.418) 21.418 12.239 ( 0.000 0.000 -9.018) 9.018 12.367 ( 0.000 0.000 8.059) 8.059 12.467 ( 0.000 0.000 -13.004) 13.004 12.936 ( 0.000 0.000 -11.515) 11.515 13.034 ( 0.000 0.000 -8.388) 8.388 14.079 ( 0.000 0.000 13.497) 13.497 14.354 ( 0.000 0.000 -23.905) 23.905 14.634 ( 0.000 0.000 -0.540) 0.540 14.649 ( 0.000 0.000 -18.684) 18.684 14.891 ( 0.000 0.000 -28.225) 28.225 14.936 ( 0.000 0.000 -26.537) 26.537 15.323 ( 0.000 0.000 4.145) 4.145 15.505 ( 0.000 0.000 -1.504) 1.504 15.670 ( 0.000 0.000 25.506) 25.506 15.954 ( 0.000 0.000 8.915) 8.915 16.737 ( 0.000 0.000 2.455) 2.455 16.776 ( 0.000 0.000 1.958) 1.958 18.127 ( 0.000 0.000 -2.791) 2.791 18.668 ( 0.000 0.000 -8.726) 8.726 18.867 ( 0.000 0.000 3.142) 3.142 19.555 ( 0.000 0.000 -26.853) 26.853 19.820 ( 0.000 0.000 -13.509) 13.509 20.820 ( 0.000 0.000 -8.298) 8.298 20.900 ( 0.000 0.000 -5.508) 5.508 20.947 ( 0.000 0.000 -8.761) 8.761 21.204 ( 0.000 0.000 -7.909) 7.909 21.363 ( 0.000 0.000 1.324) 1.324 21.443 ( 0.000 0.000 -17.380) 17.380 21.611 ( 0.000 0.000 -3.441) 3.441 21.931 ( 0.000 0.000 12.124) 12.124 22.085 ( 0.000 0.000 -22.919) 22.919 22.109 ( 0.000 0.000 6.162) 6.162 22.393 ( 0.000 0.000 11.196) 11.196 22.578 ( 0.000 0.000 9.136) 9.136 22.675 ( 0.000 0.000 5.721) 5.721 22.976 ( 0.000 0.000 1.574) 1.574 23.026 ( 0.000 0.000 6.835) 6.835 23.102 ( 0.000 0.000 10.864) 10.864 23.426 ( 0.000 0.000 6.190) 6.190 23.495 ( 0.000 0.000 7.759) 7.759 23.633 ( 0.000 0.000 6.766) 6.766 23.874 ( 0.000 0.000 -5.049) 5.049 24.223 ( 0.000 0.000 -11.007) 11.007 24.632 ( 0.000 0.000 15.701) 15.701 24.749 ( 0.000 0.000 -5.175) 5.175 24.867 ( 0.000 0.000 6.680) 6.680 25.708 ( 0.000 0.000 15.717) 15.717 26.399 ( 0.000 0.000 -3.872) 3.872 26.492 ( 0.000 0.000 10.976) 10.976 26.509 ( 0.000 0.000 10.448) 10.448 27.552 ( 0.000 0.000 5.856) 5.856 27.554 ( 0.000 0.000 6.803) 6.803 27.773 ( 0.000 0.000 2.984) 2.984 28.222 ( 0.000 0.000 12.675) 12.675 28.527 ( 0.000 0.000 27.701) 27.701 28.624 ( 0.000 0.000 8.569) 8.569 28.791 ( 0.000 0.000 -6.928) 6.928 29.728 ( 0.000 0.000 -1.475) 1.475 30.006 ( 0.000 0.000 -9.687) 9.687 31.894 ( 0.000 0.000 -9.768) 9.768 32.017 ( 0.000 0.000 -2.801) 2.801 32.046 ( 0.000 0.000 -6.123) 6.123 32.457 ( 0.000 0.000 9.422) 9.422 32.902 ( 0.000 0.000 15.197) 15.197 34.437 ( 0.000 0.000 -7.876) 7.876 34.920 ( 0.000 0.000 -6.239) 6.239 105.227 ( 0.000 0.000 5.123) 5.123 105.403 ( 0.000 0.000 3.143) 3.143 106.947 ( 0.000 0.000 -2.331) 2.331 107.031 ( 0.000 0.000 -3.348) 3.348 ======================= Grid point 103 (34/96) ======================= q-point: ( 0.14 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 45.130 -7.912 30.817) 55.218 2.342 ( 13.495 -12.676 46.709) 50.245 3.607 ( 13.755 -5.774 69.907) 71.481 4.879 ( -22.131 9.718 3.188) 24.380 5.095 ( -11.222 5.619 -2.130) 12.730 5.228 ( -11.940 7.965 0.308) 14.356 5.397 ( -13.189 5.452 10.810) 17.903 5.661 ( 2.902 11.053 3.405) 11.924 5.790 ( 5.142 5.187 1.877) 7.541 5.995 ( -11.216 -1.325 5.918) 12.751 6.118 ( -11.387 -9.858 11.694) 19.068 6.281 ( -0.834 1.350 -0.025) 1.587 6.610 ( 7.241 10.512 20.631) 24.261 6.809 ( -4.465 12.459 20.173) 24.127 7.048 ( 3.157 -1.358 13.954) 14.371 7.282 ( -1.489 -4.105 15.993) 16.578 7.613 ( 6.958 -19.638 17.181) 27.005 7.740 ( -7.822 -6.760 0.132) 10.339 8.055 ( 9.202 -13.908 -1.234) 16.722 8.360 ( 7.801 8.615 -4.151) 12.341 8.575 ( 9.260 -8.613 -5.170) 13.663 9.093 ( 3.930 1.956 -2.573) 5.088 9.725 ( -0.355 0.838 -5.198) 5.277 9.777 ( -0.979 3.119 -5.262) 6.194 9.928 ( 14.594 2.703 -8.816) 17.263 10.290 ( 18.767 11.407 -12.202) 25.124 10.494 ( -9.522 0.720 5.879) 11.214 10.570 ( -2.154 -3.778 1.829) 4.718 11.225 ( 4.629 -1.644 -8.667) 9.962 11.361 ( 5.558 3.509 -5.251) 8.413 11.540 ( -7.568 -6.720 2.270) 10.372 11.861 ( 6.933 -7.432 -12.795) 16.340 12.093 ( -15.572 -4.719 0.344) 16.275 12.326 ( -12.040 3.502 -10.203) 16.165 12.429 ( -2.470 -2.184 0.349) 3.315 12.797 ( -10.728 1.533 0.243) 10.840 13.134 ( 7.688 -5.097 -20.695) 22.658 14.010 ( 0.910 11.573 4.773) 12.551 14.289 ( -4.814 2.071 -19.671) 20.357 14.591 ( -2.476 5.256 -18.624) 19.509 14.706 ( 1.563 0.063 -10.063) 10.184 14.848 ( -5.365 6.546 -12.719) 15.278 15.002 ( 4.379 -9.921 -24.433) 26.732 15.273 ( -3.453 -1.101 0.632) 3.679 15.388 ( -7.540 3.629 -2.152) 8.641 15.759 ( 10.789 8.699 16.076) 21.225 16.096 ( 9.943 -5.588 6.903) 13.332 16.665 ( -0.489 6.224 1.497) 6.420 16.879 ( -1.065 -17.661 6.265) 18.769 18.146 ( 2.650 0.673 -3.533) 4.468 18.559 ( -2.063 13.483 -4.890) 14.490 18.933 ( -1.724 -10.889 1.525) 11.129 19.526 ( -3.825 -1.094 -28.805) 29.078 19.857 ( 2.144 -2.247 -11.133) 11.558 20.813 ( -0.862 -0.063 -7.830) 7.877 20.917 ( 2.666 1.998 -6.336) 7.158 20.990 ( 3.871 -0.805 -7.532) 8.507 21.195 ( -2.566 -4.977 -9.647) 11.154 21.341 ( -0.858 -1.019 -5.755) 5.908 21.543 ( 9.017 2.614 -8.620) 12.745 21.656 ( 5.012 -0.357 -4.841) 6.977 21.918 ( -0.166 0.626 6.078) 6.112 22.058 ( -1.266 1.810 -11.268) 11.483 22.144 ( 2.785 -2.170 4.600) 5.799 22.346 ( -3.907 0.068 4.392) 5.879 22.636 ( 5.707 4.356 11.564) 13.612 22.700 ( 4.587 0.380 5.211) 6.952 22.931 ( -2.941 1.736 3.305) 4.753 23.052 ( -0.316 0.162 6.356) 6.366 23.109 ( 1.033 -4.133 7.561) 8.679 23.417 ( -1.281 -0.446 8.370) 8.479 23.493 ( -2.313 -2.833 7.506) 8.350 23.658 ( 1.901 -1.147 7.489) 7.811 23.828 ( -4.808 0.613 -4.809) 6.828 24.185 ( -4.470 1.125 -11.751) 12.623 24.466 ( -9.533 -0.268 14.458) 17.320 24.787 ( -7.486 1.874 8.114) 11.198 24.930 ( 11.532 -0.705 -2.131) 11.748 25.615 ( -8.335 0.637 15.209) 17.355 26.159 ( -19.130 2.287 -3.082) 19.511 26.551 ( 11.736 7.837 7.366) 15.919 26.724 ( 12.561 -6.068 10.427) 17.416 27.551 ( -0.648 -1.704 7.219) 7.446 27.567 ( 2.224 2.299 6.213) 6.988 27.809 ( 2.323 -2.902 4.512) 5.846 28.234 ( 2.837 6.531 14.145) 15.836 28.441 ( -10.743 1.790 13.658) 17.469 28.577 ( 1.072 -5.763 14.444) 15.588 28.916 ( 9.093 2.066 -0.122) 9.326 29.529 ( -12.509 10.361 -2.220) 16.394 30.034 ( -11.258 -15.635 -7.279) 20.596 30.803 ( -59.113 -3.951 17.819) 61.867 32.156 ( 15.325 -0.322 -2.044) 15.464 32.450 ( 4.908 3.600 5.043) 7.904 32.530 ( 5.049 -4.740 5.512) 8.851 33.586 ( 60.175 7.262 -22.130) 64.525 34.386 ( -3.995 3.851 -8.214) 9.913 34.893 ( -4.816 -3.412 -6.833) 9.029 105.229 ( 0.162 -0.029 5.210) 5.213 105.364 ( -2.980 1.583 4.937) 5.981 106.950 ( -0.146 -0.758 -2.661) 2.770 107.031 ( -0.340 -0.682 -3.260) 3.348 ======================= Grid point 104 (35/96) ======================= q-point: ( 0.29 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 20.559 -20.651 39.651) 49.207 3.161 ( 46.463 -8.011 17.726) 50.370 4.062 ( 31.121 -9.255 55.048) 63.909 4.448 ( -14.988 14.988 4.610) 21.692 4.706 ( -21.339 13.779 12.089) 28.131 4.916 ( -9.849 10.821 1.350) 14.694 5.169 ( -19.079 -3.506 9.155) 21.451 5.382 ( -13.285 13.648 2.918) 19.268 5.597 ( -21.662 -0.160 -5.966) 22.469 5.876 ( -10.930 2.042 8.591) 14.051 6.059 ( 9.857 -2.496 6.509) 12.073 6.344 ( -11.069 17.829 23.258) 31.326 6.549 ( 12.522 3.872 3.828) 13.655 6.743 ( -3.809 -12.706 9.035) 16.049 7.115 ( -4.863 -0.886 12.412) 13.360 7.391 ( 13.401 -6.087 8.301) 16.898 7.670 ( 1.848 -3.354 3.186) 4.982 7.882 ( 10.015 -10.298 11.637) 18.487 8.201 ( -3.941 -4.474 2.052) 6.306 8.557 ( 15.814 -0.116 -1.947) 15.933 8.849 ( 8.555 -7.101 0.635) 11.136 9.245 ( 10.506 -2.333 1.583) 10.878 9.547 ( -14.256 2.798 -0.255) 14.530 9.776 ( -4.903 -7.259 -0.429) 8.770 10.074 ( 10.452 13.992 -8.102) 19.253 10.340 ( 5.882 3.357 1.340) 6.904 10.469 ( 7.091 4.858 -4.389) 9.652 10.743 ( 18.660 1.070 -5.343) 19.439 11.084 ( -5.954 8.125 -2.988) 10.507 11.430 ( -2.943 6.846 -3.130) 8.083 11.640 ( -1.830 -14.353 -2.182) 14.632 11.861 ( -16.210 -1.079 -5.744) 17.231 11.972 ( -6.404 -13.976 -4.111) 15.913 12.111 ( -11.344 2.734 -2.324) 11.898 12.354 ( 3.131 -8.593 -4.567) 10.223 12.722 ( 1.520 1.934 5.272) 5.817 13.338 ( 8.164 -6.157 -26.053) 27.988 13.906 ( -1.632 7.213 -9.802) 12.279 14.192 ( -6.352 1.956 -12.701) 14.335 14.484 ( -4.961 2.374 -13.473) 14.552 14.616 ( -4.373 11.250 -7.517) 14.219 14.701 ( -0.793 6.558 -16.822) 18.073 15.133 ( -8.638 -0.740 -1.997) 8.896 15.179 ( -0.783 -3.924 -12.986) 13.588 15.319 ( 0.966 -0.923 -24.837) 24.873 15.798 ( 3.884 8.347 14.601) 17.260 16.293 ( 8.990 -2.116 5.956) 10.989 16.624 ( -0.271 2.533 5.292) 5.874 17.090 ( 4.759 -21.128 6.477) 22.606 18.167 ( 1.759 8.635 -1.968) 9.029 18.424 ( 0.536 6.517 -0.259) 6.544 18.967 ( -5.660 -8.478 2.238) 10.437 19.466 ( -3.793 -0.193 -31.839) 32.065 19.893 ( -0.234 -0.943 -9.237) 9.288 20.795 ( -0.944 0.477 -6.952) 7.032 20.946 ( 2.684 0.866 -7.714) 8.214 21.061 ( 1.920 -3.722 -6.195) 7.478 21.233 ( 0.469 -4.653 -10.148) 11.174 21.361 ( 2.290 -1.089 -7.914) 8.310 21.605 ( 2.093 4.942 -4.533) 7.025 21.748 ( 5.093 -0.158 -4.247) 6.633 21.976 ( 6.315 -0.975 0.444) 6.405 22.046 ( 1.945 0.438 -0.176) 2.001 22.212 ( 2.584 -0.662 -1.977) 3.320 22.312 ( 0.076 -2.765 3.202) 4.231 22.644 ( 2.717 6.973 9.874) 12.389 22.786 ( 2.958 2.767 7.338) 8.382 22.876 ( 1.762 1.342 5.251) 5.699 23.039 ( -1.354 -2.281 3.547) 4.429 23.180 ( 1.161 -2.407 6.380) 6.917 23.370 ( -3.786 0.683 11.546) 12.170 23.490 ( -1.926 -3.960 4.510) 6.303 23.674 ( -3.176 -0.985 1.768) 3.766 23.741 ( -4.146 -0.583 0.919) 4.286 24.070 ( -5.190 2.126 -9.032) 10.632 24.392 ( -1.223 -1.493 14.856) 14.981 24.628 ( -8.005 2.742 10.147) 13.212 25.094 ( 7.798 -0.327 0.291) 7.810 25.492 ( -5.927 -0.769 6.328) 8.704 25.787 ( -22.012 2.382 -4.140) 22.524 26.691 ( 13.416 7.718 5.350) 16.376 26.988 ( 12.262 -5.257 13.250) 18.803 27.556 ( -1.232 -2.443 7.076) 7.586 27.584 ( 2.648 2.645 7.103) 8.028 27.868 ( 0.894 -0.163 8.250) 8.300 28.151 ( -5.110 1.212 10.324) 11.583 28.297 ( -5.226 -0.233 18.664) 19.383 28.702 ( 8.807 3.981 9.637) 13.648 28.957 ( 0.053 5.998 4.122) 7.278 29.278 ( -8.764 -2.402 -0.475) 9.100 29.824 ( -25.410 -8.657 4.526) 27.223 30.269 ( -17.740 -8.783 6.797) 20.930 32.398 ( 8.679 0.668 6.507) 10.868 32.507 ( 4.854 0.735 4.299) 6.525 32.704 ( 14.018 -7.436 1.133) 15.908 34.131 ( 3.324 13.659 -14.863) 20.458 34.359 ( 22.982 9.386 -20.945) 32.480 34.845 ( -7.266 -8.150 -9.859) 14.711 105.233 ( 0.363 -0.085 5.463) 5.476 105.303 ( -2.483 1.175 6.326) 6.897 106.953 ( -0.255 -0.559 -2.893) 2.957 107.033 ( -0.263 -0.785 -3.263) 3.366 ======================= Grid point 105 (36/96) ======================= q-point: ( 0.43 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 17.157 -19.559 32.631) 41.734 3.854 ( 23.111 0.294 17.408) 28.935 4.165 ( 2.569 2.055 13.234) 13.637 4.251 ( -11.653 13.248 16.063) 23.860 4.535 ( -6.036 4.999 15.884) 17.712 4.752 ( -8.709 5.882 5.882) 12.044 4.916 ( 12.427 -9.154 19.452) 24.831 5.187 ( -1.961 5.158 0.941) 5.598 5.313 ( -6.602 -1.754 -1.181) 6.932 5.637 ( -20.328 6.155 13.883) 25.374 5.872 ( -13.787 4.878 9.505) 17.442 6.329 ( 4.760 -2.619 3.509) 6.467 6.547 ( -2.090 -6.397 8.012) 10.464 6.838 ( 0.034 4.167 11.339) 12.080 7.123 ( 6.443 -2.198 6.904) 9.696 7.687 ( 11.019 3.811 1.099) 11.712 7.772 ( 4.794 -5.489 12.377) 14.363 8.116 ( 5.797 -2.549 3.471) 7.221 8.230 ( 9.132 -5.426 6.315) 12.357 8.593 ( -9.685 0.675 5.865) 11.342 8.948 ( -4.188 3.903 3.429) 6.673 9.168 ( -9.412 -5.576 1.868) 11.098 9.512 ( 8.573 3.720 1.650) 9.490 9.720 ( -7.977 -4.976 1.159) 9.473 10.132 ( 7.743 5.529 -6.827) 11.710 10.478 ( -0.543 -3.013 -5.642) 6.419 10.610 ( 24.080 4.438 2.186) 24.583 10.918 ( -2.876 0.788 -3.706) 4.757 11.106 ( 9.931 5.003 -3.134) 11.553 11.238 ( -5.961 2.208 5.817) 8.617 11.457 ( -13.636 0.280 -8.713) 16.185 11.632 ( -14.015 -1.449 -8.257) 16.331 11.840 ( -7.423 -0.356 -3.532) 8.228 12.229 ( 6.489 -9.280 2.938) 11.698 12.599 ( 7.889 -7.732 -3.290) 11.526 12.732 ( 0.948 0.355 -1.442) 1.761 13.415 ( -0.277 3.476 -10.959) 11.500 13.873 ( 0.788 -0.030 -24.636) 24.649 14.072 ( -3.738 -0.672 -10.440) 11.109 14.433 ( -1.813 0.639 -19.572) 19.667 14.488 ( 5.465 10.821 -14.338) 18.776 14.605 ( -10.564 -3.137 -8.911) 14.172 14.989 ( -1.470 3.291 1.337) 3.844 15.158 ( -3.112 1.301 -14.889) 15.267 15.388 ( 1.404 -4.655 -37.400) 37.715 15.762 ( 0.504 4.635 16.472) 17.119 16.436 ( 6.200 -1.311 7.610) 9.903 16.578 ( -3.133 1.187 8.991) 9.595 17.379 ( 6.377 -14.279 -2.724) 15.873 18.005 ( -4.343 12.282 12.866) 18.309 18.483 ( 5.141 -1.023 -3.409) 6.253 18.917 ( -5.556 -3.075 3.989) 7.499 19.419 ( -1.430 0.302 -33.101) 33.133 19.880 ( -0.792 0.246 -10.787) 10.819 20.780 ( -0.356 0.230 -6.084) 6.099 20.977 ( 1.151 -0.006 -8.877) 8.952 21.120 ( 0.935 -2.945 -6.324) 7.039 21.258 ( -0.774 -1.459 -8.769) 8.923 21.441 ( 5.428 -1.393 -7.473) 9.341 21.545 ( -3.948 2.568 -5.784) 7.459 21.831 ( 5.702 2.466 -0.836) 6.269 22.016 ( -1.286 -0.362 2.210) 2.582 22.085 ( -0.929 -2.424 1.400) 2.950 22.294 ( 6.719 -0.364 -4.738) 8.230 22.380 ( 2.079 -2.225 4.983) 5.840 22.595 ( -1.206 4.576 5.161) 7.002 22.780 ( 2.375 1.277 13.278) 13.549 22.960 ( 5.129 -0.458 5.225) 7.336 23.035 ( -2.200 -2.984 2.428) 4.431 23.128 ( -4.596 5.079 7.138) 9.893 23.366 ( 2.153 -3.014 5.349) 6.506 23.457 ( -4.419 -0.664 -3.580) 5.726 23.610 ( -3.847 0.916 -1.153) 4.119 23.681 ( -2.586 -0.892 6.170) 6.749 24.059 ( 2.761 -1.166 1.002) 3.161 24.406 ( 0.850 0.650 13.942) 13.983 24.503 ( -4.022 0.814 10.035) 10.842 25.203 ( 6.027 0.724 0.090) 6.071 25.419 ( -7.136 -0.165 7.759) 10.543 25.476 ( -8.862 -0.084 -11.758) 14.724 26.813 ( 6.696 3.441 5.184) 9.141 27.179 ( 5.185 -2.256 15.174) 16.194 27.562 ( -0.776 -2.839 7.967) 8.494 27.595 ( 1.361 2.778 6.523) 7.219 27.827 ( -2.104 1.210 11.046) 11.310 28.094 ( -2.976 -0.105 19.818) 20.040 28.322 ( 3.870 -8.518 7.711) 12.124 28.593 ( -5.714 15.843 6.837) 18.177 28.981 ( 2.645 -2.521 8.671) 9.410 29.305 ( 6.125 -4.443 3.878) 8.502 29.522 ( -16.526 -1.362 2.486) 16.767 30.160 ( -5.007 -3.676 0.518) 6.233 32.457 ( 1.717 0.804 8.166) 8.383 32.553 ( 0.945 -0.502 8.523) 8.590 33.061 ( 14.515 -6.603 -5.003) 16.713 33.898 ( -9.492 8.087 -9.252) 15.527 34.600 ( 12.668 9.134 -16.399) 22.646 34.816 ( -5.044 -7.175 -17.350) 19.440 105.243 ( 0.711 -0.223 5.864) 5.911 105.263 ( -1.392 0.555 6.236) 6.413 106.953 ( -0.121 -0.174 -2.871) 2.878 107.036 ( -0.083 -0.329 -3.353) 3.370 ======================= Grid point 110 (37/96) ======================= q-point: ( 0.14 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 20.963 -0.000 43.137) 47.961 3.082 ( 48.219 -0.000 20.828) 52.525 3.973 ( 35.621 -0.000 58.822) 68.767 4.639 ( -13.430 0.000 1.073) 13.473 4.759 ( -28.571 0.000 0.856) 28.584 5.057 ( -15.873 0.000 -0.884) 15.897 5.138 ( -18.430 0.000 11.014) 21.471 5.507 ( -22.060 0.000 0.135) 22.061 5.691 ( -18.973 0.000 6.894) 20.186 5.797 ( -6.099 0.000 3.849) 7.212 6.037 ( 11.859 -0.000 3.522) 12.371 6.539 ( 9.912 -0.000 10.322) 14.311 6.610 ( -2.848 0.000 5.121) 5.860 6.669 ( -26.073 0.000 12.525) 28.926 7.254 ( 2.632 -0.000 28.732) 28.852 7.255 ( 13.145 -0.000 8.392) 15.595 7.464 ( 7.810 -0.000 17.944) 19.570 7.759 ( 13.256 -0.000 10.420) 16.861 8.163 ( 2.376 -0.000 -8.075) 8.417 8.617 ( 9.444 -0.000 -0.176) 9.445 8.748 ( 19.562 -0.000 -2.280) 19.694 9.229 ( 6.732 -0.000 -0.493) 6.750 9.590 ( -12.226 0.000 -1.060) 12.272 9.678 ( -5.155 0.000 2.799) 5.866 10.278 ( 11.886 -0.000 -13.703) 18.140 10.313 ( -4.638 0.000 5.329) 7.065 10.547 ( 5.491 -0.000 -1.767) 5.768 10.786 ( 24.901 -0.000 -13.289) 28.225 11.190 ( -11.128 0.000 -0.273) 11.131 11.411 ( 9.893 -0.000 -0.397) 9.901 11.497 ( -2.001 0.000 -2.372) 3.104 11.771 ( -16.903 0.000 2.696) 17.117 11.895 ( -7.375 0.000 -14.346) 16.131 12.182 ( 0.912 -0.000 -9.297) 9.342 12.259 ( -13.998 0.000 -0.269) 14.001 12.740 ( 2.134 -0.000 2.844) 3.556 13.259 ( 10.803 -0.000 -26.315) 28.446 14.037 ( -3.884 0.000 0.495) 3.915 14.135 ( -9.814 0.000 -20.278) 22.528 14.562 ( -2.902 0.000 -9.054) 9.507 14.639 ( -13.820 0.000 -9.335) 16.677 14.940 ( 1.362 -0.000 -25.135) 25.172 14.958 ( 4.892 -0.000 -10.928) 11.973 15.167 ( -6.552 0.000 -0.126) 6.554 15.327 ( -3.669 0.000 -18.904) 19.257 15.964 ( 7.293 -0.000 20.656) 21.906 16.223 ( 6.744 -0.000 2.159) 7.081 16.669 ( -4.449 0.000 5.014) 6.704 16.837 ( 10.105 -0.000 3.144) 10.583 18.232 ( 7.376 -0.000 -2.785) 7.884 18.537 ( -8.520 0.000 -5.628) 10.211 18.858 ( -0.956 0.000 6.489) 6.559 19.465 ( -2.907 0.000 -32.728) 32.857 19.891 ( 2.715 -0.000 -8.156) 8.596 20.804 ( -0.265 0.000 -7.183) 7.188 20.979 ( -3.120 0.000 -4.752) 5.685 20.983 ( 3.281 -0.000 -7.766) 8.431 21.169 ( 0.878 -0.000 -7.171) 7.224 21.355 ( 3.824 -0.000 -10.617) 11.285 21.658 ( -3.099 0.000 -5.388) 6.216 21.749 ( 12.735 -0.000 -4.730) 13.585 21.960 ( 4.284 -0.000 2.540) 4.980 22.058 ( -0.926 0.000 -0.545) 1.074 22.179 ( 3.034 -0.000 4.875) 5.742 22.304 ( 0.340 -0.000 -3.101) 3.120 22.754 ( 3.120 -0.000 4.631) 5.584 22.775 ( 5.551 -0.000 10.001) 11.439 22.917 ( -1.270 0.000 4.976) 5.136 23.014 ( -4.065 0.000 8.539) 9.457 23.125 ( 4.861 -0.000 4.539) 6.651 23.385 ( -4.077 0.000 9.854) 10.664 23.453 ( 0.340 -0.000 8.442) 8.449 23.658 ( -2.349 0.000 2.941) 3.764 23.740 ( -4.909 0.000 -1.422) 5.111 24.093 ( -6.666 0.000 -9.788) 11.842 24.374 ( -1.061 0.000 14.968) 15.006 24.659 ( -8.098 0.000 7.974) 11.365 25.092 ( 8.321 -0.000 1.656) 8.484 25.486 ( -6.272 0.000 9.186) 11.123 25.812 ( -23.183 0.000 -5.858) 23.911 26.797 ( 11.190 -0.000 4.000) 11.883 26.912 ( 14.114 -0.000 12.018) 18.537 27.502 ( -2.473 0.000 6.471) 6.928 27.651 ( 4.356 -0.000 9.497) 10.449 27.839 ( 2.787 -0.000 5.515) 6.179 28.182 ( -16.259 0.000 3.558) 16.644 28.282 ( -3.081 0.000 22.200) 22.413 28.709 ( 16.032 -0.000 14.413) 21.558 29.048 ( 4.943 -0.000 6.075) 7.832 29.281 ( -21.246 0.000 1.233) 21.282 29.719 ( -17.487 0.000 0.913) 17.511 30.173 ( -15.921 0.000 11.409) 19.587 32.406 ( 10.863 -0.000 5.829) 12.329 32.524 ( 0.161 -0.000 7.760) 7.761 32.620 ( 15.791 -0.000 -0.886) 15.816 34.268 ( -4.461 0.000 -12.691) 13.452 34.475 ( 32.123 -0.000 -31.380) 44.907 34.745 ( -10.734 0.000 -7.365) 13.018 105.233 ( 0.336 -0.000 5.354) 5.365 105.316 ( -3.171 0.000 6.223) 6.984 106.944 ( -0.106 0.000 -2.370) 2.372 107.027 ( 0.170 -0.000 -3.122) 3.127 ======================= Grid point 111 (38/96) ======================= q-point: ( 0.29 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 19.682 -12.119 36.239) 42.983 3.773 ( 34.314 -4.065 30.429) 46.042 4.257 ( -21.616 5.309 5.823) 23.007 4.425 ( -16.927 1.978 5.725) 17.978 4.677 ( 17.454 7.038 18.823) 26.617 4.773 ( 5.335 -4.133 15.198) 16.629 4.792 ( -16.335 0.778 10.267) 19.309 5.239 ( -11.157 -1.427 -4.334) 12.054 5.428 ( -2.840 8.485 2.698) 9.346 5.727 ( -5.964 -1.379 -0.353) 6.132 6.030 ( -30.151 17.111 17.025) 38.623 6.259 ( 3.727 -2.926 7.047) 8.492 6.368 ( -8.245 -13.056 7.670) 17.242 6.890 ( 13.121 0.281 8.549) 15.663 7.206 ( 3.267 12.476 16.742) 21.134 7.520 ( 1.323 -17.131 19.204) 25.768 7.808 ( 26.585 1.976 3.770) 26.924 8.032 ( 12.078 -1.931 5.720) 13.503 8.126 ( -1.326 -3.535 -2.050) 4.296 8.657 ( -1.212 3.311 3.090) 4.689 8.954 ( -17.493 -1.984 2.112) 17.732 9.127 ( 8.292 0.545 2.292) 8.620 9.544 ( -7.049 -0.422 3.723) 7.983 9.662 ( 10.037 -0.780 1.073) 10.124 10.233 ( -7.218 3.804 -6.692) 10.552 10.409 ( 8.872 -3.263 -0.694) 9.478 10.723 ( 16.271 7.275 -4.200) 18.311 10.959 ( -5.407 2.427 -3.818) 7.049 11.115 ( -6.237 -5.102 -4.291) 9.129 11.312 ( -8.197 -1.559 -3.547) 9.067 11.446 ( -5.670 10.618 1.119) 12.089 11.640 ( -9.135 0.080 -10.739) 14.099 11.779 ( 2.453 -11.617 0.054) 11.873 12.122 ( 4.721 4.052 1.675) 6.443 12.411 ( 14.066 -9.577 -6.124) 18.085 12.787 ( 3.285 2.320 2.662) 4.822 13.445 ( 8.261 -0.152 -26.729) 27.977 13.926 ( -2.268 5.193 -11.904) 13.184 14.028 ( -7.347 -3.528 -13.533) 15.798 14.348 ( -19.196 -4.957 -9.867) 22.145 14.549 ( 0.394 1.341 -8.661) 8.773 14.836 ( 2.003 16.074 -17.533) 23.871 15.024 ( -6.722 -0.583 -1.920) 7.015 15.125 ( -0.661 -6.984 -14.941) 16.506 15.260 ( -4.265 -3.424 -30.250) 30.740 15.986 ( 4.776 14.729 15.603) 21.982 16.332 ( 1.999 -9.860 7.742) 12.695 16.588 ( -5.221 0.192 7.654) 9.267 17.109 ( 14.577 -9.331 -1.527) 17.375 18.267 ( -5.836 12.182 3.259) 13.896 18.429 ( 2.027 -5.078 -2.307) 5.935 18.870 ( 1.583 -1.525 5.207) 5.652 19.426 ( -1.669 0.265 -33.476) 33.518 19.926 ( 2.934 2.955 -8.158) 9.160 20.796 ( -0.008 1.348 -6.688) 6.823 20.954 ( -1.161 -4.245 -5.628) 7.144 21.030 ( 1.093 -1.521 -6.698) 6.955 21.178 ( -1.968 -4.268 -6.154) 7.744 21.446 ( 6.534 0.704 -12.468) 14.093 21.587 ( -4.166 1.076 -6.548) 7.835 21.915 ( 5.633 5.585 -0.167) 7.934 22.001 ( -2.647 -1.998 0.432) 3.345 22.030 ( 2.479 -2.314 3.738) 5.047 22.234 ( 1.587 -2.858 2.042) 3.854 22.392 ( 8.883 0.847 -2.723) 9.330 22.716 ( -3.781 6.771 6.016) 9.815 22.825 ( 1.725 2.377 12.702) 13.037 22.921 ( 0.536 -4.343 5.555) 7.072 22.973 ( -1.750 -1.714 5.719) 6.221 23.202 ( -3.615 2.952 4.507) 6.489 23.270 ( -2.515 -4.903 4.074) 6.854 23.509 ( 5.765 3.814 0.667) 6.945 23.597 ( -4.827 -1.969 -1.731) 5.493 23.681 ( -1.382 0.256 5.326) 5.509 24.037 ( 0.708 -0.768 1.307) 1.673 24.407 ( 3.497 -0.325 13.604) 14.050 24.528 ( -7.114 1.267 7.268) 10.249 25.215 ( 6.878 0.170 3.713) 7.817 25.420 ( -4.900 1.420 2.218) 5.563 25.471 ( -12.747 -1.353 -7.572) 14.888 26.891 ( 1.863 3.492 3.238) 5.113 27.133 ( 9.575 -1.947 14.578) 17.550 27.475 ( -2.610 -3.206 6.090) 7.361 27.698 ( 4.064 4.765 9.785) 11.618 27.831 ( -5.900 -0.333 9.400) 11.103 28.028 ( -2.161 -5.639 9.267) 11.061 28.209 ( -4.722 -1.665 21.745) 22.314 28.847 ( -15.453 6.684 2.657) 17.045 29.009 ( 12.784 7.457 11.417) 18.692 29.186 ( 8.165 -8.400 8.217) 14.309 29.497 ( -10.758 -0.922 -1.060) 10.849 30.101 ( 2.076 -1.991 1.550) 3.267 32.487 ( 1.237 2.196 8.550) 8.914 32.529 ( 0.616 -1.983 9.046) 9.281 32.965 ( 20.374 -2.877 -5.058) 21.189 34.048 ( -15.218 6.115 -10.815) 19.646 34.559 ( -14.463 -6.266 -9.067) 18.184 34.859 ( 16.385 5.010 -26.828) 31.833 105.240 ( 0.541 -0.094 5.652) 5.679 105.272 ( -1.857 0.289 6.438) 6.707 106.945 ( -0.065 -0.413 -2.530) 2.564 107.034 ( 0.686 0.041 -3.338) 3.408 ======================= Grid point 112 (39/96) ======================= q-point: (-0.57 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 8.951 -15.364 28.890) 33.924 3.848 ( -19.828 5.296 14.736) 25.266 4.115 ( -13.866 -0.899 9.362) 16.754 4.219 ( -18.939 6.228 14.833) 24.849 4.419 ( 23.245 -7.353 32.076) 40.290 4.620 ( -7.248 -6.090 5.122) 10.764 5.078 ( -9.690 6.419 10.315) 15.540 5.277 ( 1.316 10.726 9.539) 14.415 5.407 ( 11.540 6.279 5.557) 14.265 5.609 ( 11.548 5.561 4.494) 13.582 5.727 ( 5.851 -8.629 11.349) 15.411 6.266 ( -3.307 -9.962 0.792) 10.526 6.585 ( 13.775 -2.481 10.177) 17.305 6.862 ( -9.382 6.573 7.958) 13.948 7.172 ( -0.155 2.716 8.525) 8.949 7.576 ( -8.042 -8.696 8.389) 14.514 7.892 ( -3.371 7.050 5.171) 9.371 8.118 ( -1.103 -3.610 1.492) 4.059 8.282 ( -10.073 7.161 1.020) 12.401 8.623 ( 17.919 -2.001 4.223) 18.518 8.824 ( 2.948 -6.950 3.612) 8.369 9.300 ( 8.403 6.555 4.445) 11.547 9.443 ( -0.998 -2.337 2.306) 3.431 9.815 ( 7.493 4.209 4.813) 9.850 10.051 ( -12.517 -3.296 -3.862) 13.507 10.497 ( -13.541 -1.913 -5.352) 14.686 10.559 ( -16.382 1.237 -1.518) 16.498 10.898 ( -7.872 -2.813 -6.672) 10.696 11.075 ( 0.183 0.894 -2.166) 2.351 11.220 ( -6.438 0.139 -3.274) 7.224 11.372 ( 13.064 -4.396 -0.903) 13.813 11.694 ( 14.324 5.145 -4.881) 15.984 11.919 ( 10.713 4.784 -0.810) 11.761 12.241 ( 4.230 -5.531 4.635) 8.365 12.677 ( 4.542 0.528 -2.793) 5.358 12.800 ( 5.238 3.751 -2.199) 6.808 13.414 ( -5.375 6.162 -8.230) 11.601 13.886 ( -2.204 0.385 -23.758) 23.863 14.026 ( 1.564 -4.828 -15.748) 16.546 14.177 ( -9.980 -14.878 -11.779) 21.440 14.529 ( 1.706 6.790 -19.611) 20.823 14.754 ( -1.092 7.701 -12.104) 14.388 14.931 ( -0.851 -1.181 -1.641) 2.194 15.123 ( 0.168 -2.224 -14.862) 15.028 15.315 ( -0.573 -9.037 -33.954) 35.141 15.897 ( 2.833 14.948 14.330) 20.900 16.406 ( -5.798 -5.066 8.491) 11.462 16.532 ( -0.104 -3.162 11.686) 12.107 17.414 ( 10.038 -8.416 -7.934) 15.314 18.001 ( -9.396 9.676 11.863) 17.962 18.477 ( -3.573 -1.444 -1.151) 4.022 18.973 ( 11.469 2.536 3.848) 12.360 19.417 ( 1.274 0.040 -32.569) 32.594 19.937 ( 3.804 5.638 -9.503) 11.686 20.787 ( 0.472 1.020 -6.435) 6.533 20.978 ( -0.579 -0.803 -8.312) 8.371 21.066 ( -0.815 -6.271 -4.699) 7.878 21.191 ( -2.534 -6.399 -6.594) 9.532 21.499 ( -3.563 3.073 -7.218) 8.616 21.536 ( 4.106 1.137 -10.735) 11.550 21.813 ( -7.745 -0.361 0.913) 7.807 22.019 ( -0.365 0.450 3.587) 3.634 22.107 ( 2.407 -0.307 -1.529) 2.868 22.255 ( -2.960 -1.849 -2.687) 4.405 22.468 ( 1.116 3.620 3.547) 5.190 22.571 ( -4.872 2.873 5.998) 8.244 22.789 ( -4.283 1.671 12.106) 12.949 22.952 ( -5.918 -2.519 5.605) 8.531 23.014 ( -0.320 -3.062 6.755) 7.424 23.067 ( 6.514 -1.467 2.623) 7.174 23.381 ( 1.377 0.910 1.007) 1.934 23.487 ( 3.231 -1.262 -4.147) 5.407 23.619 ( 3.865 3.591 2.955) 6.047 23.707 ( 5.420 1.112 3.681) 6.646 24.063 ( -2.106 -0.875 4.025) 4.627 24.401 ( -2.351 0.598 12.991) 13.216 24.493 ( 3.468 -0.667 11.074) 11.624 25.212 ( -4.806 1.974 -4.293) 6.740 25.368 ( 2.969 -4.586 -5.234) 7.566 25.511 ( 11.083 2.398 4.361) 12.149 26.785 ( -11.581 0.269 4.800) 12.539 27.208 ( -1.813 0.831 16.118) 16.241 27.476 ( -2.686 -5.110 6.597) 8.766 27.694 ( 2.565 6.093 7.974) 10.358 27.785 ( -0.791 -2.441 12.916) 13.169 28.073 ( 1.915 -2.196 19.772) 19.985 28.244 ( 0.619 -11.831 11.857) 16.761 28.534 ( -11.892 5.433 5.939) 14.360 29.063 ( 1.234 5.073 4.283) 6.752 29.363 ( -3.215 2.078 -1.236) 4.022 29.537 ( 25.084 0.103 5.883) 25.764 30.221 ( 12.092 2.480 -0.119) 12.344 32.456 ( -2.590 0.565 8.641) 9.039 32.550 ( -0.461 -0.643 7.161) 7.205 33.182 ( -0.448 5.322 -4.714) 7.124 33.784 ( -7.738 -3.507 -10.187) 13.265 34.375 ( -18.614 -11.285 -11.758) 24.740 34.982 ( 7.358 7.582 -18.313) 21.143 105.247 ( -0.764 0.192 6.104) 6.155 105.254 ( 0.772 -0.369 5.998) 6.059 106.949 ( 0.071 -0.435 -2.744) 2.779 107.046 ( 0.983 0.554 -3.619) 3.791 ======================= Grid point 113 (40/96) ======================= q-point: (-0.43 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( -16.872 23.378 32.543) 43.477 3.343 ( -36.501 9.613 13.035) 39.933 4.052 ( 2.295 -20.170 21.287) 29.415 4.245 ( 4.971 -11.620 15.331) 19.869 4.427 ( -11.064 4.695 31.987) 34.170 4.739 ( -0.214 -7.482 10.907) 13.228 5.059 ( 20.598 -12.981 25.333) 35.136 5.295 ( 10.331 4.085 4.384) 11.943 5.647 ( 15.009 3.780 -4.150) 16.024 5.730 ( 5.143 -11.439 12.230) 17.518 5.999 ( 5.630 -5.597 12.281) 14.623 6.247 ( -4.593 1.176 6.123) 7.744 6.473 ( -19.645 -0.771 1.991) 19.760 6.942 ( 13.736 4.195 2.891) 14.650 7.208 ( 15.820 6.303 6.095) 18.087 7.480 ( -5.271 2.324 4.403) 7.251 7.727 ( -7.874 4.438 4.951) 10.306 7.951 ( -10.867 4.862 0.092) 11.906 8.225 ( 5.407 -4.439 4.584) 8.364 8.651 ( -15.531 6.537 -3.257) 17.163 8.975 ( 5.086 2.381 -1.091) 5.721 9.306 ( -7.211 4.066 3.411) 8.954 9.547 ( 9.899 4.564 2.989) 11.303 9.765 ( -11.670 -7.728 -0.167) 13.998 9.979 ( 4.743 2.527 -1.889) 5.696 10.209 ( -13.764 -7.228 -2.238) 15.707 10.416 ( -5.273 -1.529 -1.092) 5.597 10.726 ( -13.968 -4.339 -8.678) 17.007 10.977 ( -4.555 0.199 -1.510) 4.803 11.307 ( 8.255 -3.389 0.536) 8.939 11.753 ( 19.746 -4.316 -1.443) 20.264 11.842 ( 4.815 -0.902 -1.512) 5.127 12.106 ( 16.671 2.703 -3.035) 17.159 12.269 ( 3.828 13.633 0.391) 14.166 12.560 ( -6.156 7.164 -0.237) 9.449 12.774 ( -0.793 13.106 -1.990) 13.279 13.351 ( -3.385 -5.544 -8.019) 10.320 13.858 ( -3.434 -0.829 -24.795) 25.045 14.034 ( -2.793 -10.065 -10.215) 14.610 14.333 ( 6.991 -12.965 -13.042) 19.674 14.489 ( -3.975 -0.082 -12.140) 12.774 14.654 ( -0.886 -0.905 -19.445) 19.486 15.049 ( 6.235 -5.784 -7.899) 11.608 15.206 ( 7.070 -0.677 -10.618) 12.774 15.334 ( -4.279 -2.772 -32.079) 32.482 15.828 ( 3.868 11.426 17.747) 21.458 16.294 ( -9.000 -1.081 7.926) 12.041 16.574 ( -0.664 -3.155 9.524) 10.055 17.465 ( -0.762 14.539 -0.113) 14.560 17.934 ( 1.129 -11.663 4.309) 12.485 18.372 ( -8.014 -0.267 -1.027) 8.084 19.123 ( 10.380 7.526 2.258) 13.018 19.475 ( 6.075 0.832 -29.836) 30.460 19.952 ( 4.111 5.600 -9.535) 11.797 20.793 ( 1.077 0.339 -7.123) 7.211 20.945 ( -3.016 0.650 -7.939) 8.517 21.073 ( -4.409 -2.327 -7.037) 8.624 21.227 ( -0.832 -6.768 -7.275) 9.972 21.407 ( -2.917 2.940 -4.879) 6.400 21.550 ( -1.574 0.846 -8.076) 8.272 21.747 ( -2.320 -0.914 -4.207) 4.890 21.956 ( -9.281 -3.506 -5.373) 11.283 22.037 ( -7.075 -0.783 0.140) 7.119 22.220 ( -0.315 2.256 -2.105) 3.102 22.402 ( -2.178 4.710 7.463) 9.090 22.534 ( -1.591 -3.750 9.590) 10.419 22.731 ( -2.935 -1.639 7.510) 8.229 22.875 ( -1.768 0.404 2.777) 3.316 23.041 ( 0.417 -2.648 5.585) 6.195 23.216 ( 2.629 2.886 5.238) 6.533 23.362 ( 5.227 -0.793 9.714) 11.059 23.582 ( 1.774 4.610 1.614) 5.196 23.666 ( 6.425 -1.770 -3.468) 7.513 23.785 ( 3.552 3.951 5.639) 7.747 24.024 ( 1.048 -2.641 -5.965) 6.607 24.408 ( 1.874 -0.107 17.564) 17.664 24.585 ( 7.108 -1.219 10.587) 12.810 25.114 ( -6.121 2.065 -4.123) 7.664 25.488 ( 6.809 -2.573 -1.415) 7.415 25.753 ( 18.896 -0.057 3.608) 19.238 26.567 ( -15.880 -4.697 6.672) 17.854 27.072 ( -11.123 3.278 15.407) 19.283 27.468 ( -3.773 -5.204 5.878) 8.710 27.688 ( 3.407 6.736 7.732) 10.806 27.812 ( -0.357 -4.432 13.293) 14.017 28.149 ( 2.826 -0.616 17.901) 18.133 28.284 ( -2.185 -1.772 15.030) 15.291 28.487 ( 0.653 -13.492 6.080) 14.813 28.968 ( -5.767 4.066 0.938) 7.118 29.361 ( 6.223 5.326 -4.797) 9.493 29.984 ( 33.355 7.411 5.292) 34.576 30.442 ( 21.547 8.300 1.426) 23.135 32.390 ( -6.163 -0.028 7.540) 9.739 32.503 ( -6.529 0.133 1.808) 6.776 32.879 ( -16.382 11.073 0.486) 19.779 33.803 ( -17.838 -19.604 -13.452) 29.723 34.196 ( -8.328 -7.130 -10.408) 15.116 34.997 ( 3.786 7.198 -11.804) 14.334 105.236 ( -0.381 0.195 5.680) 5.696 105.279 ( 1.397 -1.149 6.321) 6.575 106.955 ( 0.216 -0.286 -3.022) 3.043 107.054 ( 1.072 1.231 -3.875) 4.205 ======================= Grid point 114 (41/96) ======================= q-point: (-0.29 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -34.771 20.633 27.005) 48.621 2.740 ( -12.295 26.802 38.802) 48.735 3.845 ( -13.271 19.401 59.367) 63.851 4.515 ( 14.971 -28.469 13.693) 34.959 4.801 ( 16.675 -26.890 14.186) 34.675 4.901 ( 4.672 -17.864 3.812) 18.854 5.371 ( 2.754 1.889 4.162) 5.336 5.503 ( 10.001 -8.627 4.728) 14.028 5.689 ( -7.260 -6.253 8.705) 12.946 5.937 ( -0.976 -6.618 7.354) 9.942 6.073 ( 0.611 -18.781 25.848) 31.956 6.185 ( -12.508 -8.759 8.357) 17.407 6.332 ( 17.187 6.671 0.691) 18.449 7.002 ( 5.891 17.676 7.876) 20.228 7.225 ( -1.323 14.896 11.701) 18.988 7.488 ( 6.597 13.368 9.606) 17.734 7.730 ( 7.050 -4.227 -10.754) 13.536 7.843 ( -1.990 5.206 3.617) 6.644 8.147 ( -12.218 -0.971 -9.951) 15.787 8.498 ( 8.214 8.275 4.179) 12.386 8.778 ( -15.532 13.379 2.423) 20.642 9.060 ( -9.027 0.285 2.250) 9.308 9.492 ( -22.638 -14.804 -16.010) 31.432 9.764 ( 5.156 -1.634 -3.431) 6.406 10.007 ( 2.587 5.065 -0.843) 5.750 10.101 ( -9.485 0.338 -1.176) 9.563 10.478 ( 7.479 -1.862 5.306) 9.357 10.614 ( 0.359 0.236 -0.663) 0.790 11.012 ( -2.672 -17.429 -15.146) 23.244 11.436 ( 3.136 3.061 1.146) 4.530 11.657 ( -8.700 10.239 -0.754) 13.457 12.100 ( 11.623 -1.607 -2.821) 12.068 12.252 ( 2.074 3.995 -3.435) 5.662 12.295 ( 8.436 20.069 -4.516) 22.233 12.466 ( 8.814 2.030 -0.433) 9.055 12.747 ( 8.594 -1.790 6.360) 10.840 13.253 ( -10.178 3.482 -17.196) 20.284 13.813 ( -5.186 -6.005 -11.848) 14.259 14.110 ( -3.682 -14.086 -13.707) 19.996 14.426 ( -3.710 -11.471 -18.615) 22.178 14.642 ( 10.866 -12.247 -1.727) 16.464 14.748 ( 9.720 0.477 -22.636) 24.639 15.107 ( -6.913 -2.903 -19.202) 20.614 15.239 ( -5.329 -1.992 -20.271) 21.054 15.365 ( 9.306 0.718 2.685) 9.712 15.764 ( -0.056 11.871 17.552) 21.189 16.150 ( -8.144 0.731 6.201) 10.262 16.582 ( -1.017 -3.495 3.725) 5.208 17.276 ( 0.624 21.585 8.546) 23.224 18.091 ( 2.368 -8.291 -5.347) 10.146 18.287 ( -5.798 -10.418 -0.772) 11.948 19.153 ( 4.542 11.340 -0.694) 12.235 19.567 ( 6.174 3.233 -25.201) 26.147 19.939 ( 0.670 6.395 -10.332) 12.170 20.817 ( 1.818 0.026 -8.123) 8.324 20.887 ( -3.236 -0.502 -6.888) 7.627 20.990 ( -6.103 -0.928 -8.682) 10.653 21.268 ( 1.984 -0.297 -11.326) 11.502 21.368 ( -0.865 0.081 -1.435) 1.678 21.500 ( -3.060 0.661 -10.712) 11.161 21.645 ( -9.700 -1.699 -8.079) 12.738 21.906 ( 0.368 -1.116 -0.089) 1.179 21.997 ( -1.073 -4.730 -6.349) 7.990 22.172 ( -3.396 0.589 3.749) 5.093 22.362 ( 1.200 1.504 8.769) 8.977 22.550 ( -1.374 -3.071 9.986) 10.537 22.673 ( -4.855 -1.377 4.163) 6.541 22.906 ( 3.847 -0.771 2.731) 4.780 23.069 ( 1.293 0.180 6.392) 6.524 23.154 ( -4.089 1.404 5.987) 7.384 23.468 ( 4.791 4.329 9.376) 11.384 23.563 ( 2.814 3.902 3.167) 5.760 23.697 ( -2.185 2.684 8.309) 9.001 23.811 ( 3.514 -0.934 -2.688) 4.522 24.146 ( 6.280 -2.895 -11.535) 13.449 24.469 ( 6.379 -0.371 16.694) 17.875 24.734 ( 7.306 -2.887 9.517) 12.341 24.958 ( -9.877 2.333 -4.778) 11.217 25.615 ( 7.208 0.683 10.845) 13.039 26.085 ( 16.919 -4.812 -0.751) 17.606 26.390 ( -12.094 -8.003 8.201) 16.661 26.834 ( -11.695 5.081 12.772) 18.047 27.463 ( -2.650 -5.390 5.075) 7.863 27.665 ( 1.867 7.320 8.169) 11.126 27.831 ( -1.833 -2.548 10.031) 10.511 28.134 ( -2.274 -1.524 14.282) 14.542 28.369 ( 4.893 -5.322 24.323) 25.374 28.620 ( 2.307 -7.416 0.377) 7.776 28.847 ( -6.619 -0.378 2.550) 7.103 29.437 ( 6.903 2.085 -6.981) 10.037 30.366 ( 20.746 17.191 -5.489) 27.497 30.913 ( 50.924 6.272 7.995) 51.928 32.172 ( -16.672 1.426 -2.166) 16.872 32.392 ( -7.516 -2.723 2.798) 8.470 32.626 ( -7.566 5.416 5.359) 10.738 33.369 ( -48.160 -13.718 -9.807) 51.027 34.277 ( 4.213 -6.623 -7.295) 10.716 34.987 ( 2.414 5.479 -7.973) 9.970 105.230 ( -0.155 0.145 5.388) 5.392 105.322 ( 1.626 -2.382 6.055) 6.707 106.960 ( 0.201 0.050 -3.312) 3.319 107.056 ( 0.827 1.745 -4.108) 4.539 ======================= Grid point 115 (42/96) ======================= q-point: (-0.14 0.14 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 21.175 40.886) 46.044 2.398 ( 0.000 22.471 44.495) 49.847 3.582 ( 0.000 12.293 67.439) 68.551 5.021 ( -0.000 -34.548 19.521) 39.681 5.041 ( -0.000 -14.501 -1.769) 14.609 5.302 ( 0.000 3.208 -2.415) 4.016 5.363 ( 0.000 0.657 -1.992) 2.098 5.427 ( -0.000 -31.316 18.382) 36.313 5.722 ( 0.000 7.688 -3.777) 8.566 5.964 ( -0.000 -7.150 -1.382) 7.283 6.223 ( -0.000 -24.198 40.054) 46.796 6.328 ( -0.000 -14.886 7.503) 16.670 6.491 ( 0.000 5.148 1.750) 5.437 6.826 ( 0.000 16.551 23.018) 28.350 7.153 ( 0.000 9.861 10.370) 14.311 7.413 ( 0.000 10.325 0.419) 10.333 7.519 ( 0.000 11.225 10.663) 15.483 7.849 ( 0.000 13.594 -0.683) 13.611 8.178 ( -0.000 -16.399 -12.410) 20.565 8.393 ( 0.000 39.609 16.799) 43.024 8.553 ( -0.000 -0.005 -8.813) 8.813 9.052 ( -0.000 -5.331 -2.554) 5.912 9.410 ( -0.000 -22.097 -19.463) 29.447 9.798 ( 0.000 4.505 -6.521) 7.926 9.978 ( 0.000 9.204 2.770) 9.612 10.007 ( -0.000 -9.832 -7.824) 12.566 10.548 ( -0.000 -1.285 4.885) 5.052 10.660 ( 0.000 1.014 3.135) 3.295 11.160 ( -0.000 -14.736 -20.054) 24.886 11.277 ( 0.000 11.211 -5.545) 12.507 11.636 ( -0.000 -2.878 7.481) 8.015 11.959 ( 0.000 26.014 -6.797) 26.887 12.299 ( 0.000 3.708 -2.199) 4.311 12.338 ( -0.000 -7.139 -6.664) 9.766 12.495 ( 0.000 5.915 1.566) 6.119 12.962 ( 0.000 0.392 -10.349) 10.357 13.063 ( 0.000 2.180 -7.987) 8.279 13.834 ( -0.000 -13.940 1.741) 14.048 14.224 ( -0.000 -14.234 -19.313) 23.991 14.509 ( -0.000 -11.345 -21.090) 23.948 14.802 ( 0.000 8.246 -16.298) 18.265 14.896 ( -0.000 -5.661 -12.308) 13.548 14.985 ( 0.000 3.484 -24.134) 24.384 15.214 ( -0.000 -8.356 1.924) 8.575 15.499 ( -0.000 -7.259 10.550) 12.806 15.606 ( 0.000 12.686 8.469) 15.253 16.055 ( 0.000 3.568 7.816) 8.592 16.617 ( -0.000 -4.893 0.199) 4.897 17.081 ( 0.000 21.525 8.921) 23.301 18.125 ( -0.000 -0.059 -4.830) 4.831 18.407 ( -0.000 -19.058 -2.668) 19.243 19.071 ( 0.000 13.200 -1.609) 13.297 19.588 ( 0.000 3.450 -24.456) 24.698 19.877 ( 0.000 5.699 -12.489) 13.728 20.830 ( 0.000 1.293 -8.667) 8.762 20.872 ( -0.000 -2.364 -5.460) 5.950 20.941 ( -0.000 -1.003 -9.584) 9.636 21.285 ( 0.000 4.873 -12.679) 13.584 21.356 ( -0.000 -0.971 1.423) 1.723 21.450 ( 0.000 1.725 -15.669) 15.764 21.578 ( -0.000 -3.197 -5.371) 6.250 21.919 ( -0.000 -0.607 10.759) 10.776 22.051 ( -0.000 -4.433 -20.944) 21.408 22.129 ( 0.000 1.261 6.665) 6.784 22.386 ( -0.000 -0.927 13.022) 13.055 22.542 ( -0.000 -1.944 8.288) 8.513 22.649 ( -0.000 -2.032 4.732) 5.149 22.961 ( -0.000 -1.375 1.743) 2.220 23.062 ( 0.000 3.345 7.294) 8.024 23.110 ( -0.000 -0.618 7.398) 7.424 23.452 ( 0.000 4.207 7.343) 8.462 23.557 ( 0.000 4.858 6.140) 7.829 23.649 ( 0.000 1.610 7.258) 7.434 23.858 ( -0.000 -1.634 -3.787) 4.125 24.214 ( -0.000 -1.009 -11.753) 11.797 24.596 ( -0.000 -3.488 17.839) 18.176 24.773 ( 0.000 2.342 -6.013) 6.453 24.853 ( -0.000 -1.230 7.530) 7.630 25.686 ( -0.000 -0.882 14.522) 14.549 26.331 ( -0.000 -6.752 -2.661) 7.257 26.339 ( -0.000 -8.106 10.127) 12.972 26.653 ( 0.000 7.204 11.699) 13.739 27.489 ( -0.000 -5.217 5.197) 7.364 27.616 ( 0.000 6.104 7.194) 9.435 27.814 ( 0.000 1.823 6.159) 6.423 28.144 ( -0.000 -5.250 14.915) 15.812 28.468 ( -0.000 -5.406 27.257) 27.788 28.704 ( 0.000 6.469 5.083) 8.227 28.761 ( -0.000 -6.172 -5.190) 8.065 29.529 ( -0.000 -7.708 -5.233) 9.317 30.331 ( 0.000 22.614 -8.042) 24.001 31.833 ( -0.000 -6.026 -9.444) 11.203 31.989 ( -0.000 -1.945 -4.196) 4.625 32.065 ( 0.000 0.992 -4.001) 4.122 32.481 ( 0.000 2.419 8.693) 9.023 32.903 ( 0.000 0.074 15.221) 15.221 34.374 ( -0.000 -5.825 -7.360) 9.387 34.965 ( 0.000 4.075 -6.682) 7.827 105.228 ( 0.000 0.078 5.226) 5.227 105.366 ( -0.000 -3.143 4.878) 5.803 106.959 ( 0.000 0.623 -3.285) 3.343 107.047 ( 0.000 1.667 -3.938) 4.277 ======================= Grid point 118 (43/96) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 11.746 -0.000 30.345) 32.540 3.892 ( -16.957 0.000 9.978) 19.675 4.115 ( -20.980 0.000 3.744) 21.312 4.294 ( 21.853 -0.000 36.983) 42.957 4.415 ( -17.312 0.000 14.939) 22.867 4.503 ( -11.938 0.000 14.380) 18.689 5.133 ( -1.954 0.000 3.047) 3.620 5.416 ( 20.479 -0.000 8.161) 22.046 5.472 ( 0.235 -0.000 8.923) 8.926 5.539 ( -4.331 0.000 10.564) 11.417 5.963 ( -2.024 0.000 6.138) 6.463 5.965 ( 0.584 -0.000 0.586) 0.827 6.546 ( 20.847 -0.000 9.214) 22.792 6.937 ( -12.854 0.000 5.761) 14.086 7.265 ( -10.985 0.000 13.965) 17.768 7.400 ( 6.537 -0.000 13.424) 14.931 7.990 ( -6.316 0.000 -2.391) 6.754 8.072 ( 0.395 -0.000 -0.032) 0.396 8.472 ( -26.921 0.000 -1.523) 26.964 8.477 ( 35.445 -0.000 2.636) 35.542 8.751 ( 8.178 -0.000 4.919) 9.543 9.363 ( -7.458 0.000 4.104) 8.513 9.432 ( 18.924 -0.000 5.985) 19.847 9.857 ( 6.085 -0.000 6.752) 9.089 10.014 ( -13.452 0.000 -1.643) 13.552 10.472 ( -22.364 0.000 -3.249) 22.599 10.592 ( -13.556 0.000 -3.921) 14.112 10.857 ( -12.528 0.000 -12.875) 17.964 11.087 ( -0.694 0.000 -2.224) 2.330 11.176 ( 12.030 -0.000 -7.942) 14.415 11.388 ( -3.455 0.000 2.901) 4.511 11.807 ( 13.095 -0.000 1.689) 13.204 11.878 ( 13.829 -0.000 -0.457) 13.836 12.219 ( 6.580 -0.000 1.614) 6.775 12.618 ( 14.695 -0.000 1.579) 14.779 12.858 ( 3.653 -0.000 -1.043) 3.799 13.536 ( -0.606 0.000 -18.043) 18.053 13.884 ( -21.163 0.000 -18.459) 28.083 13.978 ( -4.498 0.000 -8.229) 9.378 13.986 ( 7.388 -0.000 -17.550) 19.042 14.620 ( 4.210 -0.000 -16.458) 16.988 14.800 ( -16.407 0.000 -6.485) 17.642 14.999 ( -4.249 0.000 -11.407) 12.173 15.066 ( 8.183 -0.000 -22.078) 23.546 15.193 ( -0.441 0.000 -26.779) 26.782 16.167 ( 1.944 -0.000 16.991) 17.102 16.241 ( -0.420 0.000 8.117) 8.127 16.500 ( -4.157 0.000 11.906) 12.610 17.309 ( 13.209 -0.000 -8.700) 15.817 18.124 ( -14.269 0.000 3.341) 14.655 18.453 ( -0.324 0.000 2.471) 2.492 18.999 ( 13.555 -0.000 3.799) 14.078 19.418 ( 1.242 -0.000 -32.293) 32.317 20.015 ( 5.144 -0.000 -6.981) 8.672 20.811 ( 0.420 -0.000 -7.733) 7.745 20.909 ( 0.412 -0.000 -3.176) 3.202 21.041 ( -0.541 0.000 -6.779) 6.800 21.105 ( -3.705 0.000 -5.458) 6.597 21.528 ( -3.913 0.000 -7.858) 8.778 21.551 ( 5.471 -0.000 -14.080) 15.106 21.807 ( -10.545 0.000 1.881) 10.711 22.036 ( 0.098 -0.000 5.225) 5.226 22.086 ( -1.354 0.000 -1.347) 1.910 22.244 ( 3.643 -0.000 -4.065) 5.459 22.490 ( -0.029 0.000 3.239) 3.239 22.640 ( -8.975 0.000 4.317) 9.959 22.807 ( -0.198 0.000 16.364) 16.365 22.891 ( -9.576 0.000 5.497) 11.041 23.022 ( -6.319 0.000 4.130) 7.549 23.026 ( 14.119 -0.000 3.076) 14.450 23.404 ( 12.190 -0.000 -4.781) 13.094 23.452 ( -8.220 0.000 1.086) 8.291 23.678 ( -0.293 0.000 5.878) 5.885 23.709 ( 11.614 -0.000 -1.503) 11.710 24.048 ( -1.319 0.000 7.550) 7.664 24.415 ( -5.414 0.000 11.061) 12.314 24.482 ( 5.211 -0.000 11.424) 12.557 25.264 ( -1.800 0.000 -7.528) 7.741 25.290 ( -1.987 0.000 -7.271) 7.538 25.536 ( 12.836 -0.000 9.571) 16.012 26.796 ( -13.871 0.000 3.519) 14.311 27.215 ( -0.600 0.000 16.911) 16.922 27.419 ( -2.360 0.000 6.231) 6.663 27.734 ( -3.276 0.000 13.403) 13.797 27.796 ( 4.885 -0.000 8.495) 9.800 28.017 ( 2.682 -0.000 12.994) 13.268 28.138 ( -1.583 0.000 21.556) 21.614 28.589 ( -15.780 0.000 6.117) 16.924 29.120 ( -1.112 0.000 1.727) 2.054 29.386 ( -1.485 0.000 -4.497) 4.736 29.533 ( 30.871 -0.000 8.222) 31.947 30.246 ( 14.903 -0.000 -0.332) 14.906 32.466 ( -3.559 0.000 9.513) 10.157 32.541 ( 0.494 -0.000 5.963) 5.983 33.234 ( 11.207 -0.000 -4.200) 11.968 33.758 ( -23.613 0.000 -12.257) 26.605 34.254 ( -15.946 0.000 -7.907) 17.799 35.058 ( 5.888 -0.000 -19.757) 20.616 105.249 ( 0.651 -0.000 5.946) 5.981 105.251 ( -0.917 0.000 6.158) 6.226 106.944 ( 0.139 -0.000 -2.572) 2.576 107.051 ( 1.264 -0.000 -3.762) 3.968 ======================= Grid point 119 (44/96) ======================= q-point: (-0.57 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.217 -6.734 23.479) 24.427 3.608 ( -13.525 12.922 16.535) 24.967 3.872 ( -11.310 0.642 17.925) 21.205 4.000 ( -10.782 -5.464 9.220) 15.202 4.393 ( -8.591 -10.398 15.268) 20.373 4.772 ( 17.973 1.445 43.360) 46.959 4.983 ( -7.049 9.846 28.481) 30.948 5.316 ( -0.683 -5.450 13.509) 14.583 5.498 ( 0.093 -7.147 11.976) 13.947 5.720 ( 2.744 1.836 2.224) 3.981 5.999 ( 10.053 5.301 1.086) 11.417 6.163 ( 0.513 -7.840 0.327) 7.863 6.573 ( -15.198 7.861 1.788) 17.204 6.900 ( 9.274 -6.808 0.529) 11.516 7.229 ( 19.141 -1.255 1.275) 19.224 7.531 ( 6.206 2.681 7.088) 9.795 7.861 ( -5.997 7.066 0.606) 9.288 8.076 ( -2.853 0.227 1.557) 3.258 8.132 ( -5.774 1.477 0.469) 5.978 8.723 ( -11.567 0.468 -4.408) 12.387 8.907 ( 4.847 -4.447 -8.310) 10.598 9.413 ( 10.523 5.323 7.147) 13.790 9.629 ( -10.199 -2.936 0.112) 10.614 9.680 ( -12.241 3.229 8.114) 15.037 9.960 ( 7.472 -2.838 2.895) 8.501 10.133 ( -9.407 -1.602 -1.525) 9.663 10.411 ( -2.671 0.568 -2.579) 3.755 10.594 ( -17.966 -5.675 -13.706) 23.298 11.098 ( -8.074 8.268 4.911) 12.556 11.289 ( 14.443 -0.468 -1.457) 14.524 11.621 ( 18.585 -5.863 -4.371) 19.972 11.831 ( -5.929 -0.433 7.866) 9.859 12.127 ( 13.923 -1.306 -1.239) 14.039 12.418 ( 18.106 5.346 3.009) 19.117 12.740 ( -2.169 8.168 -2.458) 8.801 12.927 ( 5.996 -1.261 -0.358) 6.138 13.360 ( -10.234 10.768 -7.381) 16.588 13.642 ( -12.493 -16.057 -10.611) 22.945 13.991 ( 0.674 -0.049 -15.036) 15.052 14.177 ( 10.813 -3.951 -22.745) 25.492 14.471 ( -19.687 -0.801 -8.211) 21.346 14.661 ( 1.646 1.115 -28.765) 28.834 14.972 ( 0.268 -2.164 -15.558) 15.710 15.198 ( 6.511 0.481 -16.649) 17.883 15.250 ( 3.341 -4.251 -21.891) 22.548 16.077 ( 0.566 10.574 13.975) 17.533 16.278 ( -1.286 -0.128 10.121) 10.203 16.497 ( 0.125 -4.499 16.983) 17.570 17.512 ( 8.405 -4.468 -10.382) 14.085 17.891 ( -10.271 3.454 5.039) 11.951 18.377 ( -7.950 0.302 -0.969) 8.015 19.228 ( 13.388 3.128 3.901) 14.291 19.490 ( 8.153 0.540 -28.240) 29.399 20.078 ( 5.733 5.660 -6.431) 10.308 20.808 ( 0.427 1.181 -7.696) 7.798 20.954 ( -0.183 -1.678 -5.924) 6.160 21.005 ( -1.995 -1.863 -4.855) 5.570 21.073 ( -3.733 -6.196 -6.049) 9.430 21.442 ( -6.217 0.757 -2.512) 6.748 21.603 ( 1.131 3.350 -12.630) 13.116 21.698 ( -2.751 -3.644 -6.201) 7.701 21.899 ( -17.018 -1.468 -11.233) 20.444 22.023 ( -2.902 -0.505 4.572) 5.439 22.275 ( -2.597 2.240 -0.435) 3.457 22.425 ( -5.774 -1.041 10.893) 12.373 22.532 ( 0.095 1.642 3.818) 4.157 22.739 ( -4.554 1.999 7.762) 9.218 22.866 ( 2.171 -1.662 4.338) 5.128 22.988 ( 0.090 -1.573 5.141) 5.377 23.281 ( 7.645 3.271 5.274) 9.847 23.336 ( 2.417 -1.893 7.000) 7.644 23.612 ( 10.349 -1.245 -6.259) 12.159 23.655 ( -0.755 1.142 3.073) 3.364 23.868 ( 6.881 4.077 0.180) 8.000 23.971 ( -4.419 -2.864 1.708) 5.536 24.397 ( 1.702 -0.581 21.052) 21.129 24.579 ( 6.917 0.164 8.086) 10.642 25.170 ( -6.077 3.104 -9.463) 11.667 25.402 ( 9.864 -4.591 -5.715) 12.290 25.779 ( 16.191 1.501 10.848) 19.547 26.519 ( -18.046 -0.853 6.485) 19.194 27.109 ( -10.601 0.748 16.793) 19.874 27.390 ( -2.736 -2.502 5.377) 6.531 27.715 ( -0.868 -2.098 15.342) 15.509 27.845 ( 4.114 6.220 8.466) 11.282 28.098 ( 3.988 -5.105 16.800) 18.006 28.175 ( 1.637 -5.264 17.180) 18.043 28.381 ( -8.355 -0.033 9.524) 12.669 29.027 ( -7.256 1.657 -2.378) 7.813 29.444 ( 7.651 2.673 -7.969) 11.366 30.082 ( 37.106 2.750 4.367) 37.463 30.553 ( 23.987 3.161 -1.047) 24.217 32.394 ( -5.253 0.201 8.485) 9.982 32.506 ( -5.996 0.115 0.323) 6.006 33.120 ( -18.167 14.342 -1.587) 23.201 33.441 ( -23.462 -17.891 -8.767) 30.780 34.103 ( -2.891 -2.605 -7.122) 8.116 35.095 ( 1.361 2.832 -13.090) 13.462 105.240 ( -0.316 0.209 5.790) 5.803 105.263 ( 0.741 -0.540 6.258) 6.325 106.949 ( 0.256 -0.252 -2.803) 2.826 107.072 ( 1.370 0.496 -4.253) 4.496 ======================= Grid point 120 (45/96) ======================= q-point: (-0.43 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -19.014 25.294 22.444) 38.795 3.265 ( -9.007 26.938 28.957) 40.563 3.914 ( 6.227 -25.150 24.475) 35.641 4.228 ( 6.050 -12.395 20.417) 24.639 4.326 ( -3.397 -2.162 27.903) 28.192 4.594 ( -6.699 -6.718 21.120) 23.153 5.279 ( 16.353 -11.204 37.249) 42.195 5.404 ( 2.098 -4.461 10.008) 11.157 5.589 ( -7.234 -6.698 5.970) 11.526 5.643 ( -5.955 -11.903 20.107) 24.113 5.938 ( -13.301 -3.102 1.214) 13.712 6.062 ( -8.866 -2.709 4.049) 10.117 6.564 ( 21.141 15.405 -6.005) 26.838 7.158 ( 14.402 -4.386 -4.629) 15.751 7.537 ( 6.932 9.202 3.173) 11.950 7.616 ( -6.872 7.465 -2.409) 10.428 7.698 ( 19.894 5.284 2.815) 20.776 8.027 ( 2.192 12.287 -1.146) 12.534 8.126 ( -5.379 -3.288 -5.528) 8.385 8.527 ( 1.231 -0.582 -0.082) 1.364 8.860 ( -14.046 -6.971 -9.582) 18.376 9.034 ( -28.263 0.611 3.782) 28.522 9.376 ( -27.895 -1.627 -12.301) 30.530 9.729 ( 14.562 -0.766 3.947) 15.106 10.091 ( 6.602 6.899 1.017) 9.603 10.265 ( 2.969 7.350 -3.642) 8.724 10.398 ( 5.647 -6.784 2.960) 9.309 10.531 ( 3.282 -7.011 -4.032) 8.728 10.858 ( -10.827 4.726 3.138) 12.223 11.481 ( 9.481 2.107 1.040) 9.767 11.714 ( -9.543 -5.206 6.936) 12.895 11.978 ( 13.665 -7.802 -3.857) 16.201 12.376 ( 7.866 -3.796 1.134) 8.807 12.459 ( 2.209 16.449 -4.839) 17.288 12.665 ( 11.947 10.117 3.936) 16.143 12.906 ( -1.836 15.056 -1.648) 15.256 13.198 ( -7.945 -5.237 -3.541) 10.154 13.649 ( -8.968 -17.771 -15.105) 24.988 13.960 ( -2.953 1.976 -14.491) 14.920 14.235 ( -7.274 -7.340 -9.295) 13.899 14.413 ( 7.023 -9.633 -13.845) 18.270 14.724 ( 4.703 -3.320 -33.459) 33.950 15.006 ( -1.322 -4.540 -24.423) 24.877 15.230 ( -2.124 -0.253 -21.564) 21.670 15.354 ( 5.308 -1.071 -2.031) 5.784 16.025 ( 3.437 7.658 13.880) 16.221 16.211 ( -1.950 10.162 14.193) 17.564 16.522 ( -1.381 -3.080 9.785) 10.351 17.595 ( 1.928 9.806 0.789) 10.025 17.828 ( 0.146 -13.233 -0.973) 13.269 18.229 ( -8.398 0.434 -6.049) 10.359 19.338 ( 6.288 7.596 0.579) 9.878 19.634 ( 9.217 3.231 -20.243) 22.476 20.090 ( 3.598 8.989 -7.217) 12.076 20.810 ( 0.391 -0.420 -7.046) 7.070 20.898 ( -3.145 1.398 -8.747) 9.400 20.964 ( -5.770 -1.447 -8.725) 10.560 21.157 ( 2.765 -9.618 -5.890) 11.612 21.347 ( -4.610 -1.341 2.886) 5.601 21.551 ( -4.575 1.738 -13.780) 14.623 21.611 ( -8.523 -0.250 -13.811) 16.231 21.805 ( 0.695 -7.841 -14.276) 16.302 21.966 ( -3.146 0.983 5.872) 6.734 22.178 ( -5.179 0.162 3.830) 6.443 22.358 ( -3.294 -1.689 13.451) 13.951 22.561 ( 3.612 3.058 3.240) 5.735 22.667 ( -3.387 0.615 5.103) 6.155 22.904 ( 2.492 0.736 1.115) 2.828 23.031 ( 1.065 -3.421 5.482) 6.549 23.196 ( -3.810 2.409 6.849) 8.200 23.541 ( 10.450 2.825 8.993) 14.073 23.621 ( 1.006 2.063 1.527) 2.756 23.736 ( 0.888 0.856 2.388) 2.688 23.812 ( -1.876 1.292 4.957) 5.455 24.088 ( 8.210 -2.806 -11.103) 14.091 24.444 ( 2.638 -1.947 22.370) 22.609 24.708 ( 8.506 0.044 4.999) 9.866 25.013 ( -9.324 3.023 -7.900) 12.589 25.611 ( 9.480 -1.669 2.923) 10.060 26.019 ( 12.852 -1.487 6.648) 14.546 26.278 ( -12.674 -3.710 9.179) 16.083 26.905 ( -10.871 2.383 14.231) 18.066 27.379 ( -1.913 -3.341 4.445) 5.881 27.734 ( -0.775 -4.588 15.086) 15.787 27.822 ( 1.732 8.140 10.426) 13.340 28.156 ( -1.671 1.791 14.442) 14.649 28.250 ( 2.209 -7.818 21.598) 23.076 28.386 ( 1.339 -11.100 6.268) 12.817 28.898 ( -5.233 2.860 -1.583) 6.170 29.526 ( 5.902 5.121 -10.834) 13.358 30.638 ( 32.280 10.867 -3.798) 34.271 31.003 ( 38.441 2.881 -0.663) 38.554 32.213 ( -18.164 2.964 -2.279) 18.545 32.340 ( -12.611 -2.975 -0.159) 12.958 32.732 ( -14.273 5.745 2.974) 15.670 33.124 ( -29.597 -11.377 2.461) 31.804 34.167 ( 3.781 -4.524 -6.484) 8.764 35.075 ( 0.388 3.533 -8.840) 9.527 105.235 ( -0.100 0.318 5.540) 5.550 105.285 ( 0.726 -1.477 6.397) 6.605 106.956 ( 0.207 -0.346 -3.099) 3.125 107.084 ( 0.972 1.045 -4.710) 4.921 ======================= Grid point 121 (46/96) ======================= q-point: (-0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.000 32.351 32.403) 45.788 2.907 ( 0.000 29.569 34.513) 45.448 3.959 ( 0.000 26.147 51.368) 57.639 4.313 ( -0.000 -37.339 24.512) 44.666 4.705 ( -0.000 -19.962 7.333) 21.266 4.753 ( -0.000 -37.703 19.744) 42.560 5.353 ( 0.000 1.562 -0.803) 1.756 5.409 ( 0.000 3.081 -3.308) 4.520 5.719 ( -0.000 -22.609 61.391) 65.422 5.737 ( -0.000 -12.941 8.810) 15.655 5.857 ( -0.000 -2.433 -2.904) 3.789 6.018 ( -0.000 -9.708 4.011) 10.504 6.674 ( 0.000 12.832 -2.750) 13.123 7.250 ( 0.000 20.574 4.969) 21.165 7.363 ( 0.000 9.122 5.072) 10.437 7.627 ( 0.000 11.744 -11.057) 16.130 7.682 ( 0.000 1.763 2.545) 3.096 7.955 ( -0.000 -1.323 -4.276) 4.476 8.168 ( 0.000 18.035 5.780) 18.938 8.499 ( -0.000 -4.687 -6.061) 7.662 8.882 ( -0.000 -12.114 -0.319) 12.118 8.887 ( 0.000 1.603 -2.151) 2.683 9.022 ( -0.000 -8.793 -17.670) 19.737 9.901 ( 0.000 5.443 -2.155) 5.854 9.967 ( 0.000 6.912 2.656) 7.405 10.180 ( 0.000 11.383 0.752) 11.408 10.525 ( -0.000 -1.775 3.667) 4.073 10.647 ( -0.000 -2.213 -1.677) 2.777 10.790 ( -0.000 -15.523 -10.310) 18.635 11.540 ( 0.000 7.384 0.714) 7.419 11.619 ( 0.000 1.079 2.980) 3.169 12.176 ( -0.000 -8.187 -5.694) 9.972 12.270 ( 0.000 5.765 0.471) 5.784 12.560 ( 0.000 22.145 -2.621) 22.300 12.613 ( 0.000 5.830 3.817) 6.969 12.885 ( -0.000 -3.508 2.215) 4.148 13.082 ( -0.000 -0.847 -3.710) 3.805 13.704 ( -0.000 -7.634 -20.131) 21.530 13.931 ( -0.000 -9.526 -14.226) 17.121 14.291 ( -0.000 -11.178 -14.387) 18.219 14.619 ( -0.000 -16.958 -1.452) 17.020 14.824 ( -0.000 -4.616 -32.657) 32.981 15.003 ( -0.000 -1.267 -29.006) 29.034 15.186 ( 0.000 2.438 -14.078) 14.287 15.420 ( -0.000 -2.734 3.158) 4.177 15.978 ( 0.000 23.646 21.307) 31.829 16.068 ( -0.000 -0.970 6.334) 6.408 16.539 ( -0.000 -3.452 3.309) 4.782 17.471 ( 0.000 17.635 7.535) 19.177 18.026 ( -0.000 -20.615 -1.078) 20.644 18.134 ( 0.000 1.143 -8.778) 8.852 19.301 ( 0.000 10.726 -1.370) 10.813 19.675 ( 0.000 5.232 -18.161) 18.900 20.024 ( 0.000 9.715 -9.516) 13.600 20.827 ( -0.000 -2.178 -5.288) 5.719 20.865 ( 0.000 2.095 -10.525) 10.731 20.911 ( -0.000 -1.852 -10.755) 10.914 21.271 ( -0.000 -5.975 -10.265) 11.878 21.323 ( -0.000 -2.417 2.087) 3.194 21.501 ( -0.000 -4.802 -9.023) 10.221 21.533 ( 0.000 5.524 -16.582) 17.478 21.908 ( -0.000 -9.645 -16.778) 19.352 21.923 ( 0.000 1.105 8.922) 8.990 22.136 ( -0.000 -0.499 5.682) 5.704 22.353 ( -0.000 -2.393 14.852) 15.044 22.561 ( 0.000 3.793 3.801) 5.370 22.628 ( -0.000 -0.072 3.712) 3.713 22.933 ( -0.000 -1.164 1.457) 1.865 23.071 ( -0.000 -3.071 4.520) 5.464 23.133 ( 0.000 3.774 8.550) 9.346 23.559 ( 0.000 5.576 4.153) 6.953 23.646 ( 0.000 4.289 7.389) 8.544 23.687 ( 0.000 2.195 7.299) 7.622 23.820 ( -0.000 -2.171 0.029) 2.171 24.185 ( -0.000 -1.941 -13.184) 13.327 24.514 ( -0.000 -4.730 22.829) 23.314 24.826 ( 0.000 2.838 -7.790) 8.291 24.845 ( 0.000 0.809 4.753) 4.821 25.695 ( 0.000 1.041 9.611) 9.667 26.189 ( -0.000 -6.840 2.040) 7.138 26.208 ( -0.000 -5.575 10.193) 11.618 26.765 ( 0.000 4.622 12.660) 13.477 27.396 ( -0.000 -4.191 4.251) 5.970 27.756 ( 0.000 8.389 9.873) 12.956 27.775 ( -0.000 -5.193 13.274) 14.254 28.114 ( 0.000 1.861 14.308) 14.428 28.347 ( -0.000 -7.302 26.048) 27.053 28.534 ( -0.000 -15.101 0.451) 15.108 28.815 ( 0.000 4.750 0.168) 4.753 29.528 ( 0.000 4.887 -10.236) 11.343 30.750 ( 0.000 21.293 -8.636) 22.978 31.680 ( -0.000 -10.110 -9.374) 13.787 31.957 ( -0.000 -1.336 -4.690) 4.877 32.076 ( 0.000 0.236 -2.121) 2.135 32.538 ( 0.000 3.234 7.174) 7.870 32.903 ( -0.000 -0.143 15.404) 15.404 34.254 ( -0.000 -6.138 -6.556) 8.981 35.045 ( 0.000 3.878 -7.322) 8.286 105.231 ( 0.000 0.265 5.416) 5.422 105.311 ( -0.000 -2.433 6.225) 6.684 106.960 ( -0.000 -0.281 -3.327) 3.339 107.081 ( 0.000 1.549 -4.872) 5.112 ======================= Grid point 126 (47/96) ======================= q-point: (-0.57 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 1.479 -0.000 24.869) 24.912 3.594 ( -3.266 0.000 18.295) 18.584 3.734 ( -10.285 0.000 15.115) 18.283 3.837 ( 4.540 -0.000 24.512) 24.929 4.195 ( -6.765 0.000 21.057) 22.117 4.877 ( -10.686 0.000 28.469) 30.408 5.032 ( 3.674 -0.000 35.616) 35.805 5.256 ( 10.003 -0.000 51.012) 51.983 5.512 ( -0.381 0.000 2.037) 2.072 5.601 ( -12.052 0.000 2.591) 12.327 5.901 ( -17.600 0.000 2.071) 17.721 6.047 ( -3.509 0.000 0.002) 3.509 6.830 ( 25.572 -0.000 -4.655) 25.992 6.960 ( 12.377 -0.000 -12.074) 17.291 7.634 ( 0.424 -0.000 1.833) 1.881 7.699 ( 25.412 -0.000 -4.702) 25.844 7.795 ( -5.484 0.000 0.315) 5.493 8.045 ( -1.447 0.000 -1.938) 2.419 8.208 ( 15.422 -0.000 0.419) 15.427 8.508 ( -11.566 0.000 -2.062) 11.749 8.747 ( -15.711 0.000 -14.491) 21.373 9.063 ( -34.111 0.000 4.818) 34.449 9.355 ( -27.582 0.000 -9.565) 29.194 9.715 ( 16.359 -0.000 3.544) 16.738 10.207 ( -2.736 0.000 -7.367) 7.859 10.235 ( 13.176 -0.000 4.659) 13.975 10.348 ( 9.534 -0.000 -1.869) 9.715 10.473 ( 5.129 -0.000 -0.889) 5.206 10.993 ( -9.547 0.000 10.396) 14.115 11.465 ( 1.829 -0.000 4.719) 5.061 11.655 ( -5.888 0.000 5.899) 8.335 11.877 ( 16.344 -0.000 -2.109) 16.479 12.325 ( 7.149 -0.000 2.099) 7.451 12.708 ( -4.581 0.000 -0.196) 4.585 12.774 ( 18.339 -0.000 2.000) 18.447 12.967 ( 2.211 -0.000 -10.157) 10.394 13.306 ( -10.334 0.000 -5.054) 11.504 13.315 ( -11.435 0.000 -1.750) 11.568 13.997 ( -0.899 0.000 -11.329) 11.365 14.168 ( -11.715 0.000 -5.165) 12.803 14.318 ( 7.238 -0.000 -23.904) 24.976 14.680 ( 0.229 -0.000 -41.672) 41.673 14.961 ( 0.362 -0.000 -28.575) 28.578 15.228 ( 1.075 -0.000 -17.925) 17.957 15.342 ( 4.337 -0.000 -3.978) 5.885 16.062 ( -2.676 0.000 9.462) 9.833 16.406 ( 8.357 -0.000 8.162) 11.681 16.455 ( -1.778 0.000 26.211) 26.271 17.594 ( 4.505 -0.000 -8.287) 9.432 17.770 ( -5.628 0.000 1.900) 5.940 18.238 ( -7.979 0.000 -7.503) 10.952 19.414 ( 7.085 -0.000 1.209) 7.187 19.667 ( 10.466 -0.000 -18.070) 20.882 20.201 ( 5.142 -0.000 -4.101) 6.577 20.808 ( -1.165 0.000 -6.459) 6.563 20.928 ( -4.312 0.000 -8.361) 9.408 20.946 ( -3.214 0.000 -8.847) 9.413 21.023 ( 3.168 -0.000 -4.660) 5.635 21.329 ( -6.109 0.000 5.824) 8.440 21.547 ( -14.183 0.000 -15.104) 20.719 21.647 ( 0.165 -0.000 -15.662) 15.662 21.704 ( -0.179 0.000 -17.556) 17.557 21.980 ( -2.508 0.000 6.270) 6.752 22.179 ( -6.777 0.000 3.254) 7.517 22.336 ( -3.511 0.000 14.355) 14.778 22.597 ( 4.052 -0.000 2.217) 4.618 22.680 ( -3.080 0.000 5.524) 6.324 22.926 ( 3.413 -0.000 0.216) 3.420 22.979 ( -0.247 0.000 4.940) 4.946 23.221 ( -3.737 0.000 7.408) 8.297 23.567 ( 13.386 -0.000 8.798) 16.018 23.640 ( -0.692 0.000 1.836) 1.962 23.739 ( 3.822 -0.000 -1.352) 4.054 23.832 ( -5.732 0.000 8.589) 10.326 24.058 ( 9.334 -0.000 -10.894) 14.346 24.421 ( 1.252 -0.000 24.740) 24.771 24.713 ( 9.098 -0.000 2.700) 9.490 25.047 ( -9.825 0.000 -9.215) 13.470 25.583 ( 11.761 -0.000 -1.385) 11.843 26.013 ( 10.533 -0.000 11.498) 15.594 26.245 ( -13.045 0.000 9.101) 15.906 26.926 ( -10.296 0.000 14.741) 17.981 27.346 ( -1.379 0.000 4.507) 4.713 27.685 ( -1.182 0.000 16.994) 17.035 27.947 ( 2.819 -0.000 7.771) 8.266 28.105 ( 1.978 -0.000 16.076) 16.197 28.178 ( -0.498 0.000 16.727) 16.735 28.296 ( -1.193 0.000 14.300) 14.350 28.926 ( -5.122 0.000 -3.412) 6.154 29.580 ( 5.978 -0.000 -12.127) 13.521 30.746 ( 40.323 -0.000 -2.303) 40.389 31.026 ( 30.101 -0.000 -4.368) 30.416 32.274 ( -11.288 0.000 4.115) 12.015 32.281 ( -23.288 0.000 -8.180) 24.683 32.812 ( -26.184 0.000 -3.456) 26.411 32.990 ( -12.084 0.000 12.474) 17.368 34.122 ( 3.494 -0.000 -6.154) 7.077 35.110 ( -0.395 0.000 -9.168) 9.177 105.239 ( -0.030 0.000 5.514) 5.514 105.269 ( 0.421 -0.000 6.494) 6.507 106.952 ( 0.230 -0.000 -2.962) 2.970 107.094 ( 0.951 -0.000 -4.804) 4.897 ======================= Grid point 128 (48/96) ======================= q-point: (-0.43 0.43 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.000 31.123 26.700) 41.007 3.435 ( 0.000 22.789 22.017) 31.688 3.760 ( -0.000 -18.059 26.334) 31.931 4.075 ( -0.000 -31.131 24.268) 39.472 4.220 ( -0.000 -13.504 18.291) 22.736 4.599 ( 0.000 23.888 35.184) 42.527 5.202 ( -0.000 -22.369 22.807) 31.945 5.429 ( -0.000 -7.821 70.396) 70.829 5.451 ( 0.000 2.065 -4.125) 4.613 5.498 ( -0.000 -3.681 0.587) 3.728 5.777 ( -0.000 -3.112 0.689) 3.187 5.997 ( 0.000 1.204 -5.680) 5.806 6.960 ( 0.000 16.978 -5.551) 17.863 7.280 ( -0.000 -15.298 -6.287) 16.540 7.509 ( 0.000 6.909 -5.183) 8.637 7.762 ( 0.000 7.122 4.546) 8.449 7.810 ( 0.000 5.589 -15.942) 16.893 8.074 ( 0.000 6.681 1.553) 6.859 8.428 ( -0.000 -0.792 -1.031) 1.300 8.459 ( 0.000 11.916 1.081) 11.965 8.635 ( -0.000 -12.027 -2.855) 12.361 8.652 ( -0.000 -11.210 -7.613) 13.551 9.062 ( 0.000 2.070 -9.801) 10.017 9.988 ( 0.000 3.136 6.781) 7.471 9.988 ( -0.000 -5.522 -13.482) 14.569 10.345 ( 0.000 3.917 2.481) 4.636 10.501 ( 0.000 1.731 -2.899) 3.376 10.585 ( -0.000 -4.402 -5.006) 6.666 10.807 ( 0.000 12.782 13.702) 18.738 11.468 ( -0.000 -10.087 15.936) 18.860 11.650 ( 0.000 1.283 -3.013) 3.275 12.071 ( -0.000 -2.651 -2.241) 3.471 12.327 ( -0.000 -1.516 3.215) 3.555 12.712 ( 0.000 4.132 1.569) 4.420 12.836 ( 0.000 17.001 -4.082) 17.484 13.030 ( -0.000 -3.463 6.233) 7.131 13.075 ( 0.000 12.377 -7.282) 14.360 13.343 ( -0.000 -23.231 -11.535) 25.937 13.962 ( 0.000 3.937 -15.098) 15.603 14.117 ( -0.000 -5.764 -1.425) 5.937 14.404 ( -0.000 -5.385 -20.008) 20.720 14.707 ( -0.000 -5.098 -43.108) 43.409 14.972 ( -0.000 -1.317 -34.349) 34.374 15.229 ( 0.000 1.500 -13.936) 14.016 15.381 ( -0.000 -1.235 0.648) 1.394 16.047 ( -0.000 -0.789 7.217) 7.260 16.365 ( 0.000 13.755 27.879) 31.087 16.493 ( -0.000 -1.285 5.988) 6.124 17.692 ( -0.000 -11.947 -3.998) 12.598 17.697 ( 0.000 5.968 2.146) 6.342 18.159 ( 0.000 0.989 -11.344) 11.387 19.452 ( 0.000 4.580 -0.133) 4.582 19.753 ( 0.000 2.396 -13.326) 13.540 20.210 ( 0.000 7.742 -4.579) 8.995 20.796 ( -0.000 -0.959 -4.491) 4.592 20.883 ( -0.000 -0.863 -11.773) 11.804 20.905 ( 0.000 2.237 -11.560) 11.774 21.110 ( -0.000 -8.495 -4.893) 9.804 21.282 ( -0.000 -1.374 6.538) 6.681 21.420 ( -0.000 -2.812 -15.346) 15.602 21.626 ( 0.000 4.221 -18.530) 19.004 21.748 ( -0.000 -6.304 -17.592) 18.687 21.950 ( 0.000 1.187 7.506) 7.599 22.122 ( -0.000 -0.649 4.495) 4.541 22.314 ( -0.000 -1.289 14.990) 15.045 22.634 ( 0.000 0.344 3.504) 3.520 22.637 ( 0.000 2.868 3.253) 4.336 22.936 ( 0.000 1.863 0.535) 1.938 23.002 ( -0.000 -3.941 2.889) 4.886 23.187 ( 0.000 1.661 9.604) 9.747 23.629 ( 0.000 1.730 0.818) 1.914 23.711 ( 0.000 2.172 9.859) 10.095 23.721 ( 0.000 1.120 2.935) 3.142 23.786 ( -0.000 -1.115 7.419) 7.502 24.153 ( -0.000 -1.110 -14.122) 14.166 24.442 ( -0.000 -2.296 25.097) 25.202 24.867 ( 0.000 1.239 -9.140) 9.224 24.873 ( 0.000 1.351 2.023) 2.433 25.696 ( -0.000 -0.659 2.118) 2.218 26.113 ( -0.000 -1.366 9.578) 9.675 26.137 ( -0.000 -1.925 10.588) 10.761 26.824 ( 0.000 1.563 13.223) 13.315 27.341 ( -0.000 -1.509 4.217) 4.479 27.687 ( -0.000 -2.894 16.745) 16.993 27.920 ( 0.000 8.313 10.035) 13.031 28.157 ( 0.000 1.577 14.481) 14.567 28.181 ( -0.000 -9.705 16.768) 19.374 28.322 ( -0.000 -5.351 13.878) 14.873 28.875 ( 0.000 1.571 -3.006) 3.392 29.616 ( 0.000 3.025 -12.931) 13.280 31.114 ( 0.000 16.383 -9.482) 18.929 31.461 ( -0.000 -12.444 -9.210) 15.482 31.941 ( -0.000 -0.439 -5.009) 5.028 32.077 ( -0.000 -0.022 -0.891) 0.891 32.587 ( 0.000 1.584 5.915) 6.124 32.899 ( -0.000 -0.209 15.790) 15.791 34.168 ( -0.000 -2.544 -6.037) 6.551 35.098 ( 0.000 1.507 -7.706) 7.852 105.237 ( 0.000 0.326 5.448) 5.458 105.278 ( -0.000 -1.004 6.519) 6.596 106.955 ( -0.000 -0.207 -3.086) 3.093 107.100 ( 0.000 0.496 -5.026) 5.050 ======================= Grid point 153 (49/96) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 0.000 0.000 45.529) 45.529 3.098 ( 0.000 0.000 43.108) 43.108 4.551 ( 0.000 0.000 33.485) 33.485 5.123 ( 0.000 0.000 -2.254) 2.254 5.216 ( 0.000 0.000 -1.389) 1.389 5.342 ( 0.000 0.000 -0.286) 0.286 5.628 ( 0.000 0.000 6.920) 6.920 5.632 ( 0.000 0.000 3.668) 3.668 5.987 ( 0.000 0.000 -2.284) 2.284 6.235 ( 0.000 0.000 23.045) 23.045 6.297 ( 0.000 0.000 -3.972) 3.972 6.751 ( 0.000 0.000 21.042) 21.042 6.791 ( 0.000 0.000 11.881) 11.881 7.320 ( 0.000 0.000 -5.348) 5.348 7.356 ( 0.000 0.000 17.823) 17.823 7.423 ( 0.000 0.000 27.483) 27.483 7.697 ( 0.000 0.000 17.282) 17.282 8.202 ( 0.000 0.000 -10.791) 10.791 8.205 ( 0.000 0.000 26.841) 26.841 8.255 ( 0.000 0.000 29.710) 29.710 8.260 ( 0.000 0.000 -8.160) 8.160 8.938 ( 0.000 0.000 -8.857) 8.857 9.290 ( 0.000 0.000 -16.529) 16.529 9.714 ( 0.000 0.000 -2.787) 2.787 9.822 ( 0.000 0.000 -13.140) 13.140 9.926 ( 0.000 0.000 4.627) 4.627 10.650 ( 0.000 0.000 3.836) 3.836 10.759 ( 0.000 0.000 4.545) 4.545 10.886 ( 0.000 0.000 -18.736) 18.736 11.112 ( 0.000 0.000 -11.965) 11.965 11.387 ( 0.000 0.000 -11.307) 11.307 11.736 ( 0.000 0.000 -32.002) 32.002 11.855 ( 0.000 0.000 9.337) 9.337 12.299 ( 0.000 0.000 -3.573) 3.573 12.409 ( 0.000 0.000 -6.048) 6.048 12.944 ( 0.000 0.000 -0.459) 0.459 13.015 ( 0.000 0.000 14.057) 14.057 13.713 ( 0.000 0.000 -36.367) 36.367 14.115 ( 0.000 0.000 -29.641) 29.641 14.178 ( 0.000 0.000 -23.422) 23.422 14.186 ( 0.000 0.000 -36.318) 36.318 14.589 ( 0.000 0.000 -7.187) 7.187 14.671 ( 0.000 0.000 18.225) 18.225 15.342 ( 0.000 0.000 -3.286) 3.286 15.617 ( 0.000 0.000 12.438) 12.438 16.181 ( 0.000 0.000 10.339) 10.339 16.248 ( 0.000 0.000 30.432) 30.432 16.849 ( 0.000 0.000 6.735) 6.735 17.010 ( 0.000 0.000 20.739) 20.739 17.972 ( 0.000 0.000 -12.198) 12.198 18.429 ( 0.000 0.000 -14.668) 14.668 18.774 ( 0.000 0.000 -11.727) 11.727 19.133 ( 0.000 0.000 -11.872) 11.872 19.579 ( 0.000 0.000 -11.639) 11.639 20.575 ( 0.000 0.000 -17.262) 17.262 20.778 ( 0.000 0.000 -7.588) 7.588 20.779 ( 0.000 0.000 -6.366) 6.366 20.872 ( 0.000 0.000 -25.708) 25.708 21.187 ( 0.000 0.000 -8.093) 8.093 21.443 ( 0.000 0.000 5.330) 5.330 21.583 ( 0.000 0.000 0.078) 0.078 21.606 ( 0.000 0.000 -22.575) 22.575 22.142 ( 0.000 0.000 8.374) 8.374 22.249 ( 0.000 0.000 6.657) 6.657 22.692 ( 0.000 0.000 18.097) 18.097 22.700 ( 0.000 0.000 3.361) 3.361 22.811 ( 0.000 0.000 8.355) 8.355 23.027 ( 0.000 0.000 3.690) 3.690 23.124 ( 0.000 0.000 3.387) 3.387 23.225 ( 0.000 0.000 0.428) 0.428 23.472 ( 0.000 0.000 -1.729) 1.729 23.617 ( 0.000 0.000 4.535) 4.535 23.722 ( 0.000 0.000 -2.423) 2.423 23.833 ( 0.000 0.000 5.491) 5.491 24.010 ( 0.000 0.000 -8.032) 8.032 24.634 ( 0.000 0.000 -6.359) 6.359 24.948 ( 0.000 0.000 15.587) 15.587 25.103 ( 0.000 0.000 15.339) 15.339 26.042 ( 0.000 0.000 15.507) 15.507 26.296 ( 0.000 0.000 -6.548) 6.548 26.655 ( 0.000 0.000 4.342) 4.342 26.661 ( 0.000 0.000 5.497) 5.497 27.678 ( 0.000 0.000 5.569) 5.569 27.744 ( 0.000 0.000 13.917) 13.917 27.838 ( 0.000 0.000 3.172) 3.172 28.547 ( 0.000 0.000 18.736) 18.736 28.689 ( 0.000 0.000 -2.195) 2.195 28.833 ( 0.000 0.000 11.883) 11.883 29.102 ( 0.000 0.000 27.955) 27.955 29.691 ( 0.000 0.000 -1.309) 1.309 29.768 ( 0.000 0.000 -14.289) 14.289 31.652 ( 0.000 0.000 -14.510) 14.510 31.935 ( 0.000 0.000 -5.071) 5.071 31.949 ( 0.000 0.000 -3.860) 3.860 32.682 ( 0.000 0.000 12.965) 12.965 33.217 ( 0.000 0.000 15.814) 15.814 34.259 ( 0.000 0.000 -9.533) 9.533 34.773 ( 0.000 0.000 -8.431) 8.431 105.339 ( 0.000 0.000 5.877) 5.877 105.470 ( 0.000 0.000 3.435) 3.435 106.895 ( 0.000 0.000 -2.692) 2.692 106.957 ( 0.000 0.000 -3.922) 3.922 ======================= Grid point 154 (50/96) ======================= q-point: ( 0.14 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 22.658 -5.994 34.833) 41.984 3.227 ( 10.315 -8.620 41.414) 43.541 4.657 ( 9.393 -3.376 30.778) 32.356 4.925 ( -22.097 6.188 1.715) 23.011 5.072 ( -7.829 0.710 1.343) 7.976 5.222 ( -10.049 1.423 0.399) 10.157 5.485 ( -16.644 1.646 0.998) 16.755 5.676 ( -9.359 0.820 -5.883) 11.085 5.916 ( 7.327 6.617 8.383) 12.951 6.178 ( -6.089 12.897 13.787) 19.837 6.336 ( 8.859 5.817 8.652) 13.681 6.474 ( -15.100 -0.654 19.099) 24.356 6.971 ( 4.159 -5.154 15.953) 17.273 7.150 ( -6.183 -5.298 13.960) 16.161 7.385 ( -6.498 5.999 13.892) 16.468 7.530 ( 2.634 -4.968 1.449) 5.807 7.714 ( -4.858 6.258 7.086) 10.629 8.009 ( 7.989 -0.333 24.683) 25.946 8.152 ( 11.085 6.891 9.438) 16.107 8.421 ( 3.797 -5.997 6.179) 9.411 8.591 ( 13.767 -16.015 10.187) 23.447 9.025 ( 9.716 -2.568 -3.009) 10.491 9.452 ( 22.080 12.197 -16.667) 30.234 9.707 ( -0.563 4.582 -1.349) 4.809 9.872 ( -1.656 -8.505 -1.704) 8.831 10.054 ( 17.166 1.541 -9.209) 19.541 10.566 ( -8.319 2.000 0.361) 8.563 10.632 ( -9.719 -1.020 3.032) 10.232 10.931 ( 7.821 7.100 -15.977) 19.153 11.241 ( 14.344 -1.857 -6.674) 15.929 11.504 ( -2.775 -18.750 -8.186) 20.646 11.749 ( -4.070 -0.043 -9.768) 10.582 11.844 ( 0.862 -9.901 -12.155) 15.701 12.191 ( -8.878 4.001 -2.658) 10.094 12.357 ( -8.524 -3.126 -5.506) 10.618 12.799 ( -14.687 -0.528 -1.079) 14.736 13.045 ( 2.827 1.891 9.608) 10.192 13.659 ( -2.713 6.184 -32.044) 32.748 14.022 ( -6.606 3.052 -21.458) 22.659 14.102 ( -1.260 7.203 -31.479) 32.317 14.259 ( -0.458 -5.396 -35.637) 36.046 14.552 ( 6.145 12.201 5.210) 14.621 14.717 ( -0.277 -3.167 -3.377) 4.638 15.260 ( -7.935 0.876 -2.313) 8.312 15.533 ( -13.881 -3.722 13.602) 19.788 16.159 ( 10.790 13.382 16.900) 24.106 16.394 ( 7.122 -5.883 22.129) 23.980 16.827 ( 0.750 3.341 11.868) 12.352 17.060 ( -2.982 -13.299 12.350) 18.392 18.002 ( 5.326 2.245 -10.076) 11.616 18.346 ( -2.305 9.176 -15.011) 17.744 18.763 ( -7.688 -10.349 -18.139) 22.254 19.179 ( 2.220 -4.137 -3.141) 5.648 19.675 ( 7.725 -2.524 -8.417) 11.700 20.573 ( -0.164 0.424 -17.296) 17.302 20.766 ( -1.602 0.084 -15.428) 15.511 20.792 ( 2.397 0.554 -8.202) 8.563 20.915 ( 4.662 -1.006 -15.507) 16.224 21.180 ( -1.220 -1.021 -7.896) 8.055 21.503 ( 5.131 3.475 -0.782) 6.247 21.560 ( 0.227 -2.375 -9.671) 9.961 21.652 ( 6.276 1.921 -9.128) 11.243 22.128 ( -0.176 2.117 7.551) 7.844 22.262 ( 0.844 -0.669 5.596) 5.699 22.530 ( -8.567 -1.292 9.259) 12.680 22.793 ( 1.649 3.400 5.346) 6.547 22.839 ( 4.348 0.630 8.595) 9.653 23.010 ( -0.947 0.473 5.430) 5.532 23.148 ( -0.329 1.094 2.946) 3.160 23.204 ( 0.373 -1.725 1.593) 2.378 23.482 ( -0.251 -1.617 -2.349) 2.863 23.637 ( 0.633 -0.450 6.303) 6.351 23.734 ( 0.878 -0.909 -0.819) 1.506 23.832 ( -1.408 -1.243 5.399) 5.716 23.989 ( -0.983 1.057 -4.605) 4.826 24.631 ( -0.555 -0.600 -0.079) 0.822 24.941 ( 1.122 3.572 7.658) 8.525 25.051 ( -7.021 -3.386 15.560) 17.403 25.901 ( -12.178 7.997 8.742) 16.991 26.105 ( -18.792 -4.199 -0.094) 19.256 26.686 ( 9.942 7.560 5.459) 13.631 26.869 ( 12.871 -8.035 4.032) 15.700 27.688 ( 3.112 3.735 5.942) 7.678 27.752 ( 0.220 -0.472 12.902) 12.912 27.900 ( 3.721 -6.209 4.299) 8.419 28.495 ( -10.680 3.283 8.056) 13.775 28.622 ( 3.279 -3.160 14.809) 15.494 28.980 ( 10.337 2.281 7.414) 12.923 29.062 ( -1.475 3.467 23.367) 23.669 29.475 ( -8.883 13.658 -1.484) 16.360 29.855 ( -8.825 -19.227 -9.814) 23.321 30.986 ( -43.575 -0.082 2.195) 43.631 32.094 ( 16.695 -0.066 -3.763) 17.114 32.426 ( 23.886 1.631 -7.980) 25.237 32.701 ( 1.780 -1.664 11.797) 12.046 33.420 ( 24.398 1.805 2.974) 24.645 34.202 ( -5.272 2.996 -9.930) 11.635 34.736 ( -5.792 -2.432 -8.936) 10.923 105.342 ( 0.266 -0.116 5.916) 5.923 105.454 ( -1.426 0.692 4.134) 4.428 106.895 ( -0.094 -0.087 -2.784) 2.787 106.958 ( -0.132 -0.413 -3.913) 3.937 ======================= Grid point 155 (51/96) ======================= q-point: ( 0.29 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 31.502 -5.905 17.099) 36.326 3.573 ( 16.766 -15.920 36.228) 42.977 4.501 ( -16.769 10.821 2.508) 20.114 4.703 ( -11.242 2.866 2.260) 11.819 4.950 ( -15.031 6.448 1.321) 16.409 5.078 ( 10.542 -6.600 25.462) 28.337 5.229 ( -14.297 1.151 -3.364) 14.732 5.381 ( -19.214 -0.764 -6.960) 20.450 5.707 ( -17.555 16.277 21.414) 32.120 6.082 ( -10.495 4.079 9.992) 15.054 6.249 ( 11.174 -2.000 14.827) 18.673 6.617 ( 10.432 4.110 5.564) 12.517 6.825 ( -24.302 3.921 15.970) 29.342 7.020 ( -1.869 -8.100 18.448) 20.234 7.377 ( 10.154 3.190 13.009) 16.808 7.601 ( 6.987 1.674 14.035) 15.767 7.794 ( 9.349 -3.808 9.420) 13.807 8.073 ( 6.835 4.195 10.847) 13.489 8.395 ( 1.319 -5.076 13.950) 14.903 8.576 ( 21.671 2.343 4.234) 22.205 8.856 ( 2.846 -7.551 0.133) 8.071 9.291 ( 14.023 -3.121 2.480) 14.579 9.525 ( -9.516 0.312 -0.139) 9.522 9.759 ( 9.844 -1.774 -1.819) 10.166 9.925 ( 6.183 3.372 -4.693) 8.463 10.249 ( 8.331 6.604 -7.725) 13.141 10.431 ( -1.567 2.344 -3.145) 4.224 10.645 ( 12.257 -1.114 -3.210) 12.719 10.952 ( 1.332 4.582 -7.416) 8.818 11.428 ( -4.294 3.032 2.616) 5.871 11.564 ( -1.907 -14.377 -7.407) 16.284 11.781 ( -1.641 -7.889 -4.811) 9.384 11.886 ( -9.030 -8.036 -3.778) 12.664 12.041 ( -4.458 0.395 -7.568) 8.793 12.256 ( -2.273 -8.449 -3.270) 9.340 12.618 ( -4.995 -3.107 -14.308) 15.470 13.056 ( 1.333 3.147 1.150) 3.606 13.528 ( -5.501 6.248 -24.164) 25.558 13.879 ( -5.450 4.725 -22.762) 23.877 14.005 ( -3.194 4.872 -26.805) 27.431 14.260 ( -0.545 3.062 -34.344) 34.485 14.556 ( -1.129 5.008 -5.304) 7.382 14.693 ( -0.895 -2.640 -8.425) 8.874 15.114 ( -7.919 2.362 0.377) 8.272 15.283 ( -12.356 5.798 9.539) 16.652 16.205 ( 4.430 6.327 21.247) 22.608 16.566 ( 8.330 -3.342 18.216) 20.307 16.825 ( 1.351 2.172 13.660) 13.898 17.132 ( -3.620 -13.098 -1.080) 13.632 18.105 ( 9.520 5.113 -6.433) 12.576 18.257 ( 2.894 5.952 -14.672) 16.096 18.723 ( -11.020 -13.573 -18.126) 25.183 19.245 ( 1.360 -2.675 6.195) 6.884 19.781 ( 2.601 1.170 -3.656) 4.636 20.566 ( 0.185 0.727 -17.478) 17.494 20.746 ( -0.827 -0.870 -16.243) 16.288 20.844 ( 2.969 -1.713 -11.484) 11.985 21.018 ( 5.417 -1.095 -10.751) 12.088 21.174 ( 0.136 -0.825 -9.143) 9.181 21.455 ( -4.660 0.211 -11.714) 12.609 21.690 ( 9.398 1.112 -2.142) 9.703 21.791 ( 12.664 1.439 -8.303) 15.211 22.118 ( 0.824 0.065 5.111) 5.178 22.264 ( -0.300 1.304 4.728) 4.914 22.457 ( -3.674 -3.455 7.241) 8.824 22.763 ( -2.056 4.011 2.790) 5.301 22.893 ( 4.933 1.499 3.599) 6.288 22.997 ( 0.511 -0.051 4.163) 4.195 23.086 ( -2.666 1.474 2.528) 3.959 23.287 ( 3.981 -2.267 4.659) 6.534 23.443 ( -7.077 -1.584 -4.401) 8.483 23.624 ( -0.969 1.718 7.214) 7.479 23.736 ( -5.984 2.925 6.812) 9.527 23.781 ( -0.114 -0.865 0.587) 1.051 24.032 ( 6.233 -2.096 6.435) 9.201 24.642 ( 1.269 -1.031 8.628) 8.781 24.861 ( -9.170 -0.361 11.034) 14.352 25.032 ( 3.228 -0.181 -0.082) 3.234 25.556 ( -17.411 8.281 -2.432) 19.433 25.848 ( -17.199 -4.749 8.158) 19.619 26.808 ( 12.054 6.105 5.997) 14.782 27.165 ( 12.781 -7.493 4.623) 15.520 27.694 ( -0.709 -0.247 6.897) 6.938 27.766 ( 3.873 3.836 10.124) 11.498 28.032 ( 3.964 -4.397 7.251) 9.361 28.309 ( -9.156 -3.650 8.689) 13.140 28.693 ( -0.890 1.220 18.225) 18.288 28.922 ( -0.448 12.869 6.952) 14.633 29.141 ( 6.730 3.307 14.810) 16.600 29.271 ( -2.623 0.957 3.514) 4.488 29.808 ( -16.118 -14.097 -3.720) 21.733 30.417 ( -25.885 -2.198 5.802) 26.618 32.436 ( 21.618 0.013 -2.476) 21.759 32.625 ( 7.090 1.878 6.904) 10.073 32.788 ( 4.260 -5.815 6.310) 9.580 33.804 ( 18.123 9.244 -12.852) 24.064 34.071 ( -0.221 3.664 -11.629) 12.194 34.639 ( -10.364 -5.473 -10.877) 15.990 105.350 ( 0.543 -0.221 6.004) 6.033 105.419 ( -1.728 0.780 5.284) 5.614 106.894 ( -0.109 -0.099 -2.920) 2.924 106.960 ( -0.145 -0.469 -3.930) 3.960 ======================= Grid point 156 (52/96) ======================= q-point: ( 0.43 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 7.425 -11.517 24.433) 28.013 4.040 ( 25.402 0.512 5.233) 25.941 4.295 ( 2.563 -3.717 7.116) 8.428 4.485 ( -7.303 4.670 2.193) 8.941 4.655 ( -12.934 3.181 0.073) 13.319 4.862 ( -18.981 9.352 2.908) 21.359 5.117 ( -6.469 1.754 -0.609) 6.730 5.281 ( -9.682 0.463 8.502) 12.894 5.557 ( 18.737 -4.376 22.280) 29.439 5.915 ( -5.364 1.522 11.839) 13.086 6.149 ( -21.297 4.857 11.976) 24.912 6.454 ( -5.879 0.824 8.681) 10.517 6.909 ( 15.873 -7.715 25.846) 31.297 7.133 ( 0.312 2.120 20.292) 20.405 7.416 ( 3.679 3.762 22.659) 23.262 7.703 ( 3.961 4.763 4.294) 7.537 8.030 ( 11.900 -7.380 10.952) 17.777 8.177 ( 7.262 -0.031 3.020) 7.865 8.395 ( -3.825 0.293 8.131) 8.990 8.705 ( -4.500 -0.710 5.163) 6.885 9.022 ( 15.722 6.207 3.475) 17.256 9.248 ( -18.312 -8.104 4.897) 20.615 9.533 ( 11.618 4.367 2.531) 12.667 9.741 ( -11.926 -5.883 2.272) 13.491 10.024 ( 5.151 2.797 -3.894) 7.037 10.330 ( 3.685 1.405 -8.294) 9.183 10.594 ( 21.219 3.040 -4.704) 21.945 10.807 ( 4.332 -1.743 -5.658) 7.336 11.030 ( 8.449 -0.731 -3.480) 9.167 11.232 ( -14.172 4.365 -3.438) 15.223 11.434 ( -7.998 1.771 1.515) 8.330 11.586 ( -18.591 -3.820 4.064) 19.409 11.857 ( -2.512 -1.378 3.822) 4.777 12.183 ( 8.865 -7.216 -8.510) 14.250 12.472 ( 8.769 -11.253 -8.985) 16.860 12.617 ( -1.226 1.278 -15.164) 15.267 13.051 ( 1.188 0.886 -12.094) 12.185 13.375 ( -5.447 4.542 -21.995) 23.110 13.806 ( 1.044 0.578 -23.861) 23.890 13.894 ( -5.511 4.072 -25.189) 26.105 14.232 ( 3.546 3.716 -21.060) 21.677 14.414 ( -9.432 -0.152 -24.330) 26.094 14.767 ( 1.793 -4.519 -2.036) 5.271 14.960 ( -3.354 5.572 -0.432) 6.518 15.102 ( -4.239 3.038 4.890) 7.149 16.200 ( 0.638 2.071 23.553) 23.652 16.711 ( 5.422 -2.870 15.045) 16.248 16.802 ( -1.692 2.642 16.398) 16.695 17.181 ( -1.451 -5.521 -14.561) 15.640 18.128 ( 1.113 3.591 -12.787) 13.328 18.389 ( 13.155 3.221 -3.418) 13.968 18.640 ( -11.817 -8.946 -12.093) 19.129 19.273 ( 0.322 -0.668 9.693) 9.721 19.759 ( -1.077 2.167 -2.799) 3.701 20.566 ( 0.192 0.191 -16.968) 16.970 20.749 ( -0.011 -0.496 -15.848) 15.856 20.906 ( 1.715 -1.765 -12.382) 12.624 21.059 ( -0.367 0.103 -10.786) 10.793 21.240 ( 5.738 -1.100 -11.107) 12.550 21.372 ( -5.159 0.175 -9.701) 10.989 21.808 ( 5.687 1.310 -2.984) 6.555 21.962 ( 5.371 -0.447 -6.346) 8.326 22.133 ( -0.047 -0.476 2.800) 2.840 22.282 ( 4.160 0.871 3.808) 5.707 22.449 ( -0.961 -3.190 3.147) 4.583 22.652 ( -5.327 3.839 1.131) 6.663 22.954 ( 1.543 -0.905 0.984) 2.041 23.025 ( 2.838 1.418 0.886) 3.294 23.096 ( 4.272 -1.115 4.970) 6.647 23.235 ( -9.522 1.443 2.138) 9.865 23.418 ( 2.825 -3.301 5.643) 7.122 23.560 ( -6.298 4.286 7.484) 10.680 23.609 ( -1.563 -0.233 0.669) 1.716 23.798 ( 0.997 0.992 6.276) 6.432 24.180 ( 6.732 -2.012 9.983) 12.208 24.670 ( -1.187 0.070 11.462) 11.523 24.718 ( -5.151 -1.084 12.295) 13.375 25.101 ( 3.636 0.350 -7.741) 8.560 25.270 ( -8.246 3.493 -4.336) 9.949 25.659 ( -8.362 -2.193 8.712) 12.273 26.933 ( 6.546 2.424 6.783) 9.733 27.360 ( 3.652 -2.628 4.536) 6.389 27.694 ( -0.779 -3.295 6.094) 6.972 27.800 ( 4.209 4.352 10.973) 12.533 28.066 ( -0.296 -0.757 11.435) 11.464 28.321 ( 0.877 -7.987 6.243) 10.175 28.530 ( -8.034 7.480 6.886) 12.959 28.819 ( -1.461 5.195 18.006) 18.797 29.241 ( 8.304 1.318 16.303) 18.344 29.321 ( 4.434 0.292 -0.679) 4.495 29.624 ( -14.791 -6.036 7.020) 17.449 30.174 ( -7.542 -1.912 0.439) 7.793 32.618 ( 2.952 1.245 6.540) 7.283 32.745 ( 5.332 0.723 10.615) 11.901 32.986 ( 10.835 -7.289 -1.444) 13.138 33.673 ( -9.796 7.379 -12.708) 17.661 34.271 ( 18.841 6.775 -15.536) 25.343 34.500 ( -13.803 -7.216 -14.551) 21.315 105.364 ( 0.853 -0.336 6.047) 6.116 105.387 ( -1.308 0.541 5.936) 6.102 106.893 ( -0.047 -0.041 -2.977) 2.978 106.961 ( -0.058 -0.196 -3.969) 3.974 ======================= Grid point 161 (53/96) ======================= q-point: ( 0.14 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 14.968 -0.000 38.716) 41.509 3.423 ( 35.445 -0.000 16.638) 39.156 4.646 ( -14.517 0.000 -0.053) 14.517 4.689 ( -16.110 0.000 1.880) 16.220 5.005 ( 12.179 -0.000 26.889) 29.519 5.009 ( -17.019 0.000 -2.731) 17.237 5.235 ( -13.572 0.000 0.434) 13.579 5.366 ( -18.757 0.000 -10.197) 21.350 5.982 ( -21.648 0.000 15.812) 26.808 6.075 ( -15.748 0.000 18.956) 24.644 6.220 ( 13.925 -0.000 16.973) 21.954 6.660 ( 6.199 -0.000 3.694) 7.216 6.867 ( -0.740 0.000 19.133) 19.148 6.911 ( -25.219 0.000 12.737) 28.252 7.400 ( 20.558 -0.000 8.489) 22.242 7.674 ( 7.413 -0.000 7.697) 10.687 7.751 ( 6.054 -0.000 11.873) 13.327 8.183 ( 4.803 -0.000 28.180) 28.587 8.201 ( -1.467 0.000 14.364) 14.438 8.681 ( 9.006 -0.000 7.024) 11.421 8.712 ( 24.170 -0.000 -0.878) 24.186 9.250 ( 17.058 -0.000 3.591) 17.432 9.551 ( -18.866 0.000 -1.957) 18.968 9.725 ( 4.109 -0.000 1.715) 4.453 10.001 ( 16.456 -0.000 -12.384) 20.595 10.313 ( 2.256 -0.000 -7.638) 7.964 10.479 ( -1.466 0.000 -5.276) 5.476 10.607 ( 17.919 -0.000 -2.839) 18.143 11.030 ( -7.200 0.000 -13.345) 15.163 11.397 ( 1.762 -0.000 -8.263) 8.449 11.427 ( 9.313 -0.000 3.156) 9.833 11.727 ( -4.438 0.000 -10.344) 11.256 11.749 ( -1.245 0.000 -1.675) 2.087 12.081 ( -2.554 0.000 -1.586) 3.006 12.176 ( -11.640 0.000 -5.520) 12.883 12.587 ( -6.088 0.000 -11.264) 12.804 13.092 ( 1.689 -0.000 4.608) 4.907 13.602 ( -6.761 0.000 -30.089) 30.839 13.869 ( -10.470 0.000 -17.387) 20.296 14.140 ( -1.986 0.000 -36.199) 36.253 14.253 ( 2.518 -0.000 -34.347) 34.440 14.625 ( -10.586 0.000 -19.198) 21.923 14.642 ( -0.908 0.000 12.948) 12.979 15.124 ( -5.796 0.000 -0.098) 5.797 15.332 ( -10.721 0.000 10.510) 15.013 16.408 ( 7.828 -0.000 10.024) 12.719 16.454 ( 5.849 -0.000 25.633) 26.291 16.871 ( 2.312 -0.000 0.801) 2.447 16.933 ( -3.230 0.000 21.027) 21.274 18.157 ( 12.308 -0.000 -4.139) 12.986 18.340 ( -3.409 0.000 -12.513) 12.969 18.563 ( -8.891 0.000 -29.446) 30.758 19.217 ( 3.441 -0.000 4.851) 5.947 19.805 ( 7.427 -0.000 -2.562) 7.856 20.578 ( 0.245 -0.000 -16.565) 16.566 20.725 ( -2.688 0.000 -21.324) 21.493 20.832 ( 2.376 -0.000 -7.516) 7.882 21.000 ( 4.826 -0.000 -9.133) 10.329 21.165 ( 0.623 -0.000 -7.601) 7.627 21.449 ( -6.232 0.000 -14.990) 16.234 21.718 ( 13.025 -0.000 0.085) 13.026 21.796 ( 9.307 -0.000 -9.254) 13.124 22.127 ( -1.424 0.000 5.917) 6.086 22.272 ( 0.427 -0.000 4.389) 4.410 22.422 ( -2.987 0.000 8.632) 9.134 22.811 ( -1.289 0.000 0.162) 1.299 22.902 ( 2.782 -0.000 4.602) 5.378 22.989 ( -0.486 0.000 2.378) 2.427 23.118 ( -4.452 0.000 2.367) 5.042 23.256 ( 6.849 -0.000 7.111) 9.873 23.426 ( -6.419 0.000 -5.182) 8.250 23.651 ( -0.431 0.000 10.626) 10.634 23.742 ( -7.640 0.000 0.291) 7.645 23.780 ( 4.150 -0.000 8.892) 9.813 24.018 ( 4.612 -0.000 3.302) 5.672 24.631 ( 1.378 -0.000 9.092) 9.196 24.860 ( -11.109 0.000 12.058) 16.395 25.022 ( 4.613 -0.000 -2.829) 5.412 25.698 ( -23.726 0.000 -5.533) 24.363 25.747 ( -12.305 0.000 11.361) 16.748 26.901 ( 9.968 -0.000 5.297) 11.288 27.058 ( 14.837 -0.000 3.159) 15.170 27.671 ( -2.907 0.000 9.960) 10.376 27.876 ( 7.886 -0.000 12.762) 15.002 27.933 ( 5.367 -0.000 3.783) 6.566 28.275 ( -14.166 0.000 6.298) 15.503 28.699 ( 2.337 -0.000 19.231) 19.373 29.051 ( -0.076 0.000 14.570) 14.570 29.175 ( 10.175 -0.000 6.990) 12.345 29.354 ( -12.100 0.000 9.858) 15.607 29.599 ( -9.849 0.000 -9.909) 13.971 30.395 ( -26.440 0.000 8.100) 27.653 32.437 ( 23.537 -0.000 -2.446) 23.663 32.658 ( 6.554 -0.000 4.229) 7.800 32.715 ( 1.563 -0.000 10.277) 10.395 33.898 ( 22.147 -0.000 -16.584) 27.668 34.111 ( -2.568 0.000 -12.351) 12.616 34.578 ( -11.670 0.000 -9.297) 14.920 105.348 ( 0.531 -0.000 5.965) 5.989 105.427 ( -1.981 0.000 5.002) 5.380 106.892 ( -0.150 0.000 -2.708) 2.712 106.955 ( 0.094 -0.000 -3.842) 3.843 ======================= Grid point 162 (54/96) ======================= q-point: ( 0.29 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 11.235 -9.677 31.644) 34.946 4.026 ( 33.667 -0.935 4.180) 33.938 4.322 ( -14.813 3.781 1.418) 15.353 4.469 ( -14.033 -3.500 -0.246) 14.465 4.722 ( -12.342 2.413 -4.331) 13.300 4.952 ( -18.713 0.608 2.139) 18.844 5.168 ( -3.400 1.731 -1.669) 4.164 5.362 ( 18.054 1.780 19.362) 26.534 5.622 ( -5.055 12.529 18.867) 23.205 5.871 ( -10.530 -6.727 14.115) 18.851 6.250 ( -15.154 4.957 6.096) 17.070 6.434 ( -15.030 -2.075 8.301) 17.295 6.785 ( 9.782 -4.412 34.723) 36.343 7.101 ( 11.059 -2.347 13.981) 17.980 7.606 ( 1.079 12.842 18.126) 22.240 7.800 ( 5.846 -1.131 9.734) 11.411 7.914 ( 16.001 0.060 8.344) 18.046 8.158 ( 5.549 -1.444 5.894) 8.223 8.243 ( -7.407 -11.684 13.536) 19.354 8.764 ( 1.176 5.412 7.744) 9.521 9.013 ( -8.954 -6.038 3.891) 11.479 9.189 ( 5.656 1.320 2.024) 6.151 9.617 ( 11.757 3.728 2.801) 12.648 9.669 ( -4.303 -2.428 3.684) 6.163 10.104 ( -0.912 4.254 -5.648) 7.130 10.343 ( 3.128 -0.317 -5.848) 6.640 10.627 ( 17.655 1.136 -5.766) 18.607 10.812 ( -2.814 3.122 -10.084) 10.925 10.959 ( 1.599 -7.959 -8.100) 11.468 11.254 ( -14.944 0.314 -4.177) 15.520 11.473 ( -2.705 1.876 -0.731) 3.372 11.573 ( -11.997 3.561 6.512) 14.108 11.851 ( 8.950 -5.229 5.421) 11.697 12.081 ( 7.813 1.671 -6.921) 10.571 12.282 ( 16.444 -8.289 -7.206) 19.774 12.610 ( 4.154 -0.741 -19.593) 20.043 13.101 ( 1.253 2.651 -4.753) 5.584 13.473 ( -5.872 3.666 -27.166) 28.034 13.735 ( -7.156 -3.011 -20.633) 22.046 14.025 ( -8.561 3.932 -24.520) 26.267 14.256 ( -4.462 2.417 -22.547) 23.111 14.409 ( -9.091 -2.451 -33.548) 34.844 14.674 ( 3.274 -3.144 4.577) 6.446 15.027 ( -7.218 1.306 -0.418) 7.347 15.164 ( -7.592 2.441 7.990) 11.289 16.378 ( 3.614 14.518 19.532) 24.603 16.621 ( 4.399 -8.013 16.753) 19.085 16.852 ( -2.070 2.832 16.687) 17.051 16.994 ( 2.174 -10.614 -6.012) 12.391 18.224 ( -3.752 5.919 -12.151) 14.027 18.372 ( 1.378 -5.396 -5.988) 8.177 18.523 ( 7.206 -1.921 -20.081) 21.421 19.261 ( 1.443 -0.384 8.348) 8.481 19.870 ( 3.619 5.904 0.370) 6.935 20.575 ( 0.014 0.835 -16.551) 16.572 20.709 ( -0.846 -3.389 -19.848) 20.153 20.871 ( 1.951 -0.654 -8.655) 8.896 21.034 ( -1.377 -1.692 -8.138) 8.425 21.224 ( 5.791 -0.494 -8.725) 10.483 21.356 ( -5.690 -0.935 -14.042) 15.179 21.880 ( 7.018 4.885 -4.754) 9.783 21.946 ( 6.037 -1.724 -5.557) 8.385 22.101 ( -0.934 -1.655 4.200) 4.610 22.271 ( -0.990 -1.704 3.258) 3.808 22.436 ( 4.476 1.001 6.079) 7.615 22.731 ( -6.183 3.398 -3.182) 7.739 22.924 ( 0.880 -1.792 1.915) 2.766 23.046 ( 1.973 0.909 1.957) 2.924 23.068 ( 1.672 -1.526 2.463) 3.345 23.266 ( -9.702 1.615 0.480) 9.847 23.357 ( 2.451 -2.430 7.155) 7.944 23.598 ( -7.447 0.575 2.418) 7.850 23.631 ( -0.370 0.986 7.582) 7.655 23.825 ( 0.149 1.257 9.190) 9.276 24.151 ( 9.594 -0.823 9.262) 13.360 24.672 ( 2.095 0.018 12.066) 12.247 24.699 ( -6.749 -0.583 10.504) 12.499 25.093 ( 2.405 -0.667 -8.597) 8.952 25.337 ( -15.330 2.746 -3.781) 16.027 25.621 ( -3.180 -1.580 8.067) 8.814 26.995 ( 2.747 3.061 6.435) 7.637 27.301 ( 10.680 -3.004 3.259) 11.563 27.625 ( -3.280 -1.881 8.797) 9.575 27.933 ( 5.020 7.671 11.436) 14.657 28.038 ( -0.577 -1.734 10.341) 10.501 28.145 ( -0.883 -8.624 5.414) 10.221 28.624 ( -8.200 2.195 15.198) 17.408 28.950 ( -8.658 5.700 9.988) 14.394 29.288 ( 5.912 2.645 13.831) 15.272 29.335 ( 6.694 2.868 3.419) 8.045 29.477 ( -6.946 -8.908 4.634) 12.210 30.147 ( -4.586 -0.748 2.263) 5.168 32.664 ( 1.384 3.321 7.645) 8.449 32.732 ( 1.143 -2.346 10.743) 11.055 32.880 ( 20.185 -3.078 -1.811) 20.499 33.792 ( -16.153 4.151 -14.376) 22.019 34.356 ( -2.594 0.064 -12.977) 13.234 34.394 ( 7.694 -1.259 -17.385) 19.053 105.359 ( 0.777 -0.146 6.050) 6.102 105.396 ( -1.594 0.261 5.769) 5.991 106.891 ( -0.114 -0.147 -2.790) 2.796 106.960 ( 0.391 -0.003 -3.960) 3.979 ======================= Grid point 163 (55/96) ======================= q-point: (-0.57 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 1.258 -11.279 20.442) 23.381 4.046 ( -15.310 0.313 6.009) 16.450 4.262 ( -3.798 -6.835 6.818) 10.374 4.499 ( -12.017 6.545 10.278) 17.114 4.645 ( 7.426 0.903 -0.607) 7.506 4.735 ( 16.349 -3.544 3.336) 17.058 5.172 ( 6.986 5.924 4.383) 10.155 5.380 ( 11.963 10.354 2.217) 15.976 5.678 ( -10.355 6.598 16.778) 20.791 5.838 ( -1.438 -6.617 11.799) 13.604 6.086 ( 14.521 -0.534 16.240) 21.792 6.385 ( 3.289 -6.634 10.149) 12.563 6.999 ( 2.099 -4.614 32.509) 32.902 7.053 ( -12.419 2.497 13.223) 18.311 7.473 ( -7.314 6.826 20.863) 23.138 7.676 ( -6.880 0.944 4.723) 8.399 8.082 ( -5.132 -1.774 9.049) 10.553 8.190 ( -2.250 -3.580 6.008) 7.346 8.335 ( -6.463 3.228 4.266) 8.389 8.665 ( 8.561 -7.103 1.505) 11.225 8.905 ( -10.272 -5.084 4.492) 12.310 9.402 ( 10.064 7.103 2.988) 12.676 9.493 ( 0.710 0.484 4.403) 4.486 9.863 ( 12.101 5.256 0.701) 13.212 10.002 ( -6.921 0.117 -0.679) 6.956 10.306 ( -10.917 -0.800 -10.064) 14.870 10.548 ( -18.356 -0.130 -4.219) 18.835 10.804 ( -17.024 -4.509 -1.215) 17.653 11.011 ( 1.692 -1.346 -2.340) 3.186 11.137 ( 10.669 -4.805 -1.980) 11.867 11.409 ( 5.096 -0.305 2.295) 5.597 11.665 ( 20.837 7.040 1.119) 22.022 11.977 ( 9.099 7.058 4.435) 12.340 12.233 ( 2.921 -3.562 -5.989) 7.556 12.546 ( 2.822 0.577 -13.612) 13.914 12.671 ( 7.326 3.744 -11.577) 14.202 13.080 ( -0.991 3.997 -14.054) 14.645 13.373 ( -0.089 3.423 -23.365) 23.615 13.667 ( -7.088 -6.224 -23.553) 25.372 13.903 ( -2.158 -4.658 -20.108) 20.754 14.138 ( -4.566 -0.398 -20.581) 21.085 14.400 ( 0.380 -4.285 -28.052) 28.380 14.787 ( 5.658 -0.475 0.461) 5.697 14.888 ( -6.763 -1.932 -2.993) 7.644 15.067 ( -1.848 -0.672 4.265) 4.696 16.308 ( 3.458 11.956 22.586) 25.788 16.711 ( -2.950 -4.095 18.220) 18.906 16.786 ( -0.385 1.979 14.862) 14.998 17.149 ( 5.285 -7.745 -16.191) 18.711 18.101 ( -7.100 0.507 -7.942) 10.665 18.304 ( -11.208 -4.735 -16.111) 20.189 18.776 ( 19.030 4.529 -4.924) 20.172 19.280 ( 1.142 0.243 8.483) 8.563 19.847 ( 4.074 9.867 -1.065) 10.728 20.567 ( -0.256 0.419 -17.000) 17.007 20.739 ( 0.351 -2.161 -17.313) 17.451 20.901 ( -0.278 -1.579 -10.318) 10.442 21.020 ( -2.492 -3.407 -9.638) 10.522 21.258 ( -4.769 0.709 -13.862) 14.676 21.343 ( 4.778 -2.084 -7.380) 9.035 21.832 ( -6.041 2.325 -1.337) 6.610 21.967 ( -7.453 0.063 -8.915) 11.620 22.112 ( 0.491 -1.144 3.963) 4.153 22.271 ( -1.416 -0.780 3.624) 3.968 22.515 ( 4.604 2.960 2.356) 5.959 22.618 ( -0.927 0.367 0.452) 1.095 22.960 ( -4.228 -0.151 1.742) 4.575 22.994 ( -0.694 -1.588 -0.783) 1.901 23.112 ( -4.719 1.038 6.774) 8.321 23.205 ( 8.624 -2.185 4.416) 9.932 23.429 ( 2.516 -3.097 6.369) 7.516 23.499 ( -2.546 -0.266 3.706) 4.504 23.648 ( 3.388 3.383 0.198) 4.792 23.785 ( -2.647 -0.792 3.678) 4.601 24.216 ( -3.222 1.588 10.575) 11.169 24.677 ( 3.305 0.902 12.858) 13.306 24.727 ( 5.335 -0.345 13.097) 14.146 25.082 ( -4.745 -1.160 -8.110) 9.468 25.215 ( 2.232 -2.343 -3.728) 4.937 25.699 ( 11.816 1.806 7.590) 14.159 26.917 ( -9.532 0.581 8.438) 12.744 27.405 ( 0.874 2.048 4.911) 5.392 27.624 ( -1.846 -5.828 7.253) 9.486 27.873 ( -2.642 7.204 9.179) 11.963 28.053 ( 0.401 -2.125 12.608) 12.792 28.282 ( 4.909 -9.253 2.374) 10.740 28.510 ( -0.243 3.913 11.362) 12.019 28.793 ( -4.742 1.655 20.452) 21.060 29.219 ( -11.225 -1.558 6.981) 13.310 29.321 ( -0.909 0.519 2.894) 3.078 29.700 ( 21.893 2.256 9.133) 23.829 30.210 ( 11.148 1.676 -1.316) 11.350 32.617 ( -4.436 0.985 5.390) 7.050 32.716 ( -5.600 -2.067 10.380) 11.974 33.124 ( 2.033 6.701 -0.298) 7.009 33.543 ( -5.932 -5.849 -13.116) 15.538 34.144 ( -16.996 -5.785 -11.157) 21.138 34.621 ( 13.323 4.998 -17.350) 22.439 105.370 ( -0.707 0.266 6.045) 6.092 105.378 ( 0.746 -0.379 6.086) 6.144 106.891 ( -0.028 -0.207 -2.918) 2.925 106.967 ( 0.572 0.303 -4.143) 4.193 ======================= Grid point 164 (56/96) ======================= q-point: (-0.43 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -23.146 8.659 15.460) 29.150 3.907 ( -12.249 15.763 32.269) 37.945 4.281 ( 8.070 -11.224 7.182) 15.578 4.526 ( 12.176 -16.599 10.497) 23.108 4.768 ( 6.474 -8.704 6.714) 12.758 5.162 ( 17.959 -0.984 2.442) 18.151 5.252 ( -1.833 6.440 12.902) 14.536 5.426 ( 8.502 6.909 6.379) 12.677 5.587 ( 14.696 1.520 5.981) 15.939 5.955 ( 7.249 -8.517 10.196) 15.134 6.246 ( -5.620 -3.365 7.844) 10.219 6.558 ( -17.610 -0.831 7.827) 19.289 6.730 ( 14.161 -5.143 27.351) 31.226 7.101 ( -2.120 -0.938 16.280) 16.444 7.341 ( 3.600 -0.354 10.667) 11.264 7.615 ( -3.121 1.718 10.252) 10.854 7.890 ( -12.982 3.652 8.422) 15.900 8.024 ( -7.198 3.261 8.835) 11.854 8.343 ( -4.611 -7.351 6.466) 10.821 8.611 ( -17.884 3.353 0.513) 18.203 8.870 ( -0.137 -6.458 -7.006) 9.529 9.383 ( -1.650 7.314 2.369) 7.863 9.562 ( -7.715 0.843 -2.024) 8.020 9.783 ( -15.806 4.216 3.443) 16.717 9.943 ( 1.590 2.226 -1.788) 3.268 10.141 ( -1.727 -3.791 -4.320) 6.001 10.389 ( 0.847 -1.764 -1.437) 2.428 10.590 ( -12.472 -6.912 -2.427) 14.465 10.971 ( -2.195 6.638 0.171) 6.994 11.361 ( 9.526 -2.842 4.740) 11.013 11.696 ( 18.335 -3.787 -4.164) 19.180 11.891 ( 7.721 6.226 4.219) 10.778 12.038 ( 3.193 7.105 -5.208) 9.370 12.159 ( 4.672 13.178 -11.444) 18.068 12.495 ( -1.369 9.380 -6.952) 11.755 12.683 ( 4.406 6.833 -13.371) 15.649 13.017 ( -2.976 -0.280 -11.823) 12.195 13.412 ( -0.074 -5.513 -18.596) 19.396 13.686 ( 2.217 -9.544 -20.691) 22.894 13.989 ( 3.838 -3.031 -27.628) 28.058 14.152 ( 2.018 -5.870 -23.353) 24.164 14.435 ( -4.709 -8.054 -7.321) 11.859 14.712 ( -6.395 -1.621 -13.524) 15.048 15.002 ( 6.244 -7.061 4.489) 10.440 15.162 ( 10.695 -5.334 0.495) 11.961 16.264 ( 3.397 10.396 23.500) 25.920 16.608 ( -8.197 1.320 21.057) 22.635 16.798 ( -0.104 -0.044 11.759) 11.759 17.285 ( 6.863 1.461 -14.284) 15.914 17.990 ( -9.153 -6.055 -2.542) 11.265 18.158 ( -9.897 -4.241 -18.779) 21.646 18.986 ( 15.035 12.320 -7.957) 21.003 19.298 ( 2.711 2.380 6.951) 7.831 19.833 ( 3.656 7.971 -3.681) 9.510 20.559 ( -0.295 0.118 -18.014) 18.017 20.749 ( -0.271 -0.183 -13.302) 13.306 20.872 ( -3.670 0.438 -12.466) 13.002 21.002 ( -5.331 -3.557 -12.270) 13.843 21.192 ( -0.442 1.079 -12.221) 12.276 21.426 ( 2.263 -2.062 -6.482) 7.169 21.703 ( -6.939 1.255 -3.086) 7.698 21.738 ( -17.762 -3.739 -8.217) 19.925 22.119 ( -1.846 -0.404 4.371) 4.762 22.250 ( 0.692 0.956 3.824) 4.002 22.525 ( 2.457 3.174 4.431) 5.979 22.685 ( 2.517 -3.912 4.848) 6.719 22.854 ( -7.035 -2.011 3.809) 8.248 22.975 ( -3.284 -1.448 5.928) 6.930 23.093 ( 3.807 1.210 1.094) 4.142 23.322 ( -2.772 1.570 4.312) 5.362 23.465 ( 8.603 0.001 -1.712) 8.772 23.594 ( 5.457 -3.150 2.651) 6.836 23.662 ( 1.608 -1.634 3.141) 3.889 23.798 ( 3.684 0.649 -2.302) 4.392 24.093 ( -6.789 3.582 10.779) 13.233 24.669 ( -0.593 1.925 7.843) 8.098 24.871 ( 7.838 0.151 13.157) 15.315 25.007 ( -4.213 -2.335 -0.764) 4.877 25.427 ( 16.435 -5.426 -2.445) 17.480 25.919 ( 16.593 3.166 8.943) 19.113 26.723 ( -13.709 -2.641 8.994) 16.608 27.287 ( -11.033 5.031 6.249) 13.641 27.610 ( -5.935 -5.535 7.841) 11.285 27.816 ( 3.814 5.110 4.748) 7.950 28.068 ( -0.717 -0.185 10.755) 10.780 28.387 ( 2.482 2.235 9.260) 9.843 28.580 ( 5.570 -8.941 8.925) 13.807 28.757 ( -1.583 -2.481 19.266) 19.489 29.078 ( -7.913 -3.317 10.303) 13.408 29.295 ( 0.660 2.380 1.513) 2.896 30.037 ( 23.563 9.579 0.128) 25.436 30.468 ( 23.971 2.783 0.568) 24.139 32.442 ( -18.313 0.642 -2.972) 18.564 32.597 ( -9.359 -1.112 7.694) 12.167 32.914 ( -9.340 7.408 1.833) 12.062 33.592 ( -12.374 -12.213 -5.208) 18.150 33.996 ( -1.412 -3.789 -9.987) 10.775 34.746 ( 8.286 5.213 -13.112) 16.363 105.356 ( -0.546 0.337 6.082) 6.116 105.402 ( 1.234 -0.895 5.787) 5.984 106.893 ( 0.044 -0.172 -3.039) 3.044 106.972 ( 0.574 0.693 -4.279) 4.372 ======================= Grid point 165 (57/96) ======================= q-point: (-0.29 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -16.236 16.091 32.028) 39.348 3.509 ( -10.693 19.478 37.369) 43.476 4.719 ( 21.465 -13.134 8.573) 26.585 4.745 ( 0.510 -0.135 22.281) 22.287 5.038 ( 1.915 -1.854 11.677) 11.978 5.101 ( 14.743 -13.849 12.796) 23.935 5.428 ( 6.427 -3.142 -1.997) 7.427 5.552 ( -3.676 -9.995 9.506) 14.275 5.758 ( 1.621 -1.231 2.984) 3.612 6.080 ( -12.249 -5.810 5.625) 14.678 6.203 ( 9.237 -2.306 0.893) 9.563 6.378 ( 6.033 -7.556 11.973) 15.389 6.990 ( -1.149 -8.061 34.425) 35.375 7.182 ( 10.858 -0.218 12.356) 16.451 7.410 ( -4.793 8.526 0.426) 9.790 7.576 ( 8.079 -2.200 -0.048) 8.374 7.720 ( 1.747 8.525 15.035) 17.371 7.971 ( -10.733 -4.123 6.421) 13.168 8.074 ( -5.245 1.544 9.146) 10.656 8.536 ( -0.695 2.079 0.377) 2.225 8.819 ( -10.950 1.936 -0.169) 11.121 9.086 ( -18.154 -0.356 0.240) 18.159 9.218 ( -24.601 -2.497 -7.347) 25.795 9.694 ( 2.460 2.097 -2.882) 4.331 9.939 ( -1.534 0.658 -4.723) 5.010 10.115 ( -3.244 7.139 -0.341) 7.849 10.522 ( 8.908 -2.375 -0.507) 9.233 10.601 ( 6.199 -5.014 0.120) 7.974 10.827 ( -8.425 0.410 -2.488) 8.794 11.417 ( -10.741 12.674 -3.850) 17.053 11.664 ( 4.727 1.354 2.206) 5.389 11.960 ( 4.568 12.767 -22.042) 25.879 12.098 ( 7.380 -0.951 -3.668) 8.296 12.161 ( 1.429 20.743 -9.128) 22.708 12.430 ( 9.655 5.191 -3.616) 11.543 12.811 ( 12.861 0.129 -3.982) 13.464 12.989 ( -2.858 -3.145 1.623) 4.549 13.464 ( -3.056 -13.316 -24.852) 28.359 13.863 ( 6.373 -8.727 -17.513) 20.578 14.034 ( -1.820 -3.891 -30.884) 31.182 14.230 ( -1.455 -8.700 -10.369) 13.613 14.406 ( -3.335 -2.584 -16.291) 16.828 14.689 ( -2.035 -4.758 -14.406) 15.308 15.169 ( 4.491 -9.736 2.396) 10.987 15.461 ( 14.527 -10.849 8.913) 20.204 16.171 ( -2.458 15.514 20.587) 25.895 16.452 ( -7.261 2.040 21.608) 22.886 16.781 ( -1.771 -1.567 15.425) 15.606 17.323 ( 4.795 11.470 -4.618) 13.262 17.926 ( -5.186 -5.609 -10.581) 13.050 18.120 ( -3.806 -13.040 -13.968) 19.484 19.025 ( 6.772 15.373 -11.439) 20.323 19.315 ( 4.309 9.074 1.172) 10.114 19.772 ( -2.180 8.268 -7.570) 11.420 20.563 ( 0.752 -0.405 -18.664) 18.684 20.745 ( -1.028 -1.675 -7.711) 7.957 20.793 ( -4.444 0.169 -11.887) 12.692 20.930 ( -4.028 -0.166 -19.199) 19.618 21.207 ( 2.011 1.326 -10.400) 10.675 21.422 ( -6.718 -4.646 -0.912) 8.219 21.566 ( -6.154 -4.140 -5.087) 8.993 21.619 ( -2.003 0.339 -11.240) 11.422 22.094 ( -0.905 -0.885 6.411) 6.535 22.259 ( -0.527 -1.012 4.208) 4.360 22.562 ( 5.593 1.650 7.915) 9.831 22.726 ( -1.223 -3.230 4.075) 5.342 22.785 ( -5.231 -4.089 9.708) 11.761 22.985 ( 1.399 -1.987 5.424) 5.944 23.144 ( 1.714 -1.045 0.498) 2.068 23.234 ( -2.666 2.707 2.723) 4.674 23.536 ( 0.815 3.677 -2.024) 4.276 23.662 ( 4.470 1.902 4.795) 6.826 23.735 ( 1.687 -1.041 -0.010) 1.983 23.873 ( 3.548 1.774 -0.213) 3.972 23.971 ( -2.872 0.534 1.879) 3.473 24.652 ( 0.622 1.543 0.439) 1.720 24.889 ( -2.620 -1.455 3.518) 4.622 25.073 ( 5.937 -2.108 18.543) 19.584 25.753 ( 13.988 -6.114 2.253) 15.431 26.158 ( 14.861 1.579 7.710) 16.816 26.557 ( -10.388 -5.454 8.344) 14.397 27.016 ( -12.747 6.828 5.243) 15.382 27.581 ( -3.810 -5.633 6.773) 9.598 27.833 ( 3.295 6.011 7.960) 10.505 28.011 ( -3.255 4.202 6.526) 8.417 28.438 ( 4.254 -1.584 14.705) 15.389 28.656 ( -1.921 -2.546 10.762) 11.224 28.841 ( 3.269 -8.746 10.788) 14.267 28.998 ( -6.135 -3.131 13.637) 15.278 29.333 ( 4.370 -1.603 1.368) 4.852 30.222 ( 14.191 18.491 -8.686) 24.875 30.983 ( 39.493 -0.738 -0.845) 39.509 32.098 ( -18.280 0.417 -4.458) 18.820 32.378 ( -23.605 -3.134 -6.094) 24.579 32.749 ( -4.849 2.972 8.905) 10.566 33.363 ( -17.611 -3.687 7.558) 19.515 34.113 ( 5.256 -5.504 -8.784) 11.622 34.805 ( 4.471 4.233 -10.123) 11.849 105.346 ( -0.255 0.311 6.007) 6.021 105.433 ( 1.044 -1.364 5.033) 5.318 106.895 ( 0.055 -0.083 -3.086) 3.088 106.972 ( 0.357 0.951 -4.304) 4.422 ======================= Grid point 166 (58/96) ======================= q-point: (-0.14 0.14 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 0.000 14.801 43.136) 45.605 3.252 ( 0.000 15.260 40.505) 43.284 4.626 ( 0.000 7.370 33.945) 34.736 5.041 ( -0.000 -6.385 1.003) 6.463 5.257 ( 0.000 2.564 -1.315) 2.882 5.332 ( 0.000 0.107 -0.524) 0.535 5.387 ( -0.000 -23.926 15.627) 28.577 5.690 ( 0.000 4.751 1.252) 4.913 5.842 ( -0.000 -32.234 22.964) 39.578 5.915 ( -0.000 -5.919 -2.619) 6.473 6.362 ( 0.000 4.017 -2.147) 4.555 6.662 ( -0.000 -10.449 12.532) 16.317 6.880 ( 0.000 5.841 16.126) 17.151 7.215 ( -0.000 -7.131 4.534) 8.450 7.413 ( 0.000 4.887 14.721) 15.511 7.493 ( 0.000 3.792 26.732) 26.999 7.784 ( 0.000 7.400 15.832) 17.476 7.964 ( -0.000 -13.606 -8.032) 15.800 8.105 ( 0.000 8.449 23.265) 24.752 8.377 ( 0.000 2.918 -8.015) 8.530 8.644 ( 0.000 15.549 5.777) 16.587 8.960 ( 0.000 0.658 -6.123) 6.158 9.069 ( -0.000 -16.567 -10.838) 19.797 9.697 ( 0.000 0.896 -3.061) 3.189 9.866 ( 0.000 3.674 -6.208) 7.214 10.020 ( 0.000 8.077 2.040) 8.331 10.631 ( -0.000 -1.751 3.010) 3.482 10.738 ( -0.000 -2.792 3.343) 4.356 10.778 ( -0.000 -8.713 -15.331) 17.634 11.132 ( 0.000 10.954 -8.367) 13.784 11.760 ( 0.000 27.328 -17.434) 32.416 11.792 ( -0.000 -5.407 7.742) 9.443 11.934 ( 0.000 18.409 -25.805) 31.699 12.224 ( -0.000 -5.674 -2.373) 6.150 12.491 ( 0.000 6.072 -5.447) 8.157 12.967 ( 0.000 1.930 -1.957) 2.749 12.968 ( -0.000 -4.698 11.850) 12.747 13.574 ( -0.000 -13.812 -30.895) 33.842 14.004 ( -0.000 -7.904 -23.916) 25.188 14.060 ( -0.000 -6.834 -25.856) 26.744 14.327 ( -0.000 -15.682 3.425) 16.052 14.357 ( 0.000 7.640 -31.122) 32.046 14.708 ( -0.000 -3.267 -7.502) 8.182 15.291 ( -0.000 -6.034 -1.279) 6.168 15.803 ( -0.000 -23.793 16.705) 29.072 15.886 ( 0.000 24.435 16.894) 29.707 16.372 ( 0.000 2.750 22.441) 22.609 16.789 ( -0.000 -2.973 16.086) 16.359 17.230 ( 0.000 15.578 4.031) 16.092 17.930 ( -0.000 -4.085 -12.906) 13.537 18.241 ( -0.000 -15.419 -12.958) 20.142 18.948 ( 0.000 13.542 -10.851) 17.353 19.242 ( 0.000 11.216 -7.402) 13.438 19.658 ( 0.000 7.853 -10.553) 13.154 20.576 ( 0.000 0.009 -17.959) 17.959 20.746 ( -0.000 -2.608 -6.950) 7.423 20.772 ( -0.000 -1.293 -6.591) 6.716 20.890 ( 0.000 1.407 -26.205) 26.243 21.208 ( 0.000 1.999 -9.314) 9.526 21.398 ( -0.000 -5.046 3.005) 5.873 21.548 ( -0.000 -2.829 0.940) 2.981 21.614 ( 0.000 0.452 -20.311) 20.316 22.106 ( -0.000 -2.346 7.827) 8.171 22.257 ( -0.000 -0.142 5.427) 5.429 22.673 ( -0.000 -2.225 4.229) 4.779 22.691 ( -0.000 -0.259 13.234) 13.236 22.769 ( -0.000 -4.184 10.034) 10.871 23.015 ( -0.000 -1.254 3.655) 3.864 23.179 ( 0.000 5.211 4.852) 7.120 23.184 ( -0.000 -4.121 -0.126) 4.123 23.497 ( 0.000 2.984 -1.878) 3.525 23.669 ( 0.000 4.658 3.887) 6.067 23.743 ( 0.000 1.208 -2.785) 3.036 23.845 ( 0.000 2.000 7.470) 7.733 23.993 ( -0.000 -1.897 -8.377) 8.589 24.646 ( 0.000 1.228 -6.568) 6.682 24.893 ( -0.000 -3.711 12.409) 12.952 25.138 ( 0.000 0.911 18.460) 18.482 25.938 ( -0.000 -7.356 7.893) 10.790 26.318 ( 0.000 0.384 2.650) 2.677 26.508 ( -0.000 -6.899 6.661) 9.590 26.819 ( 0.000 8.022 4.804) 9.350 27.599 ( -0.000 -5.634 5.934) 8.183 27.802 ( 0.000 5.728 11.363) 12.725 27.926 ( 0.000 6.287 4.162) 7.540 28.499 ( -0.000 -3.908 19.589) 19.975 28.688 ( -0.000 -1.494 0.744) 1.669 28.853 ( 0.000 1.344 9.627) 9.720 29.021 ( -0.000 -8.013 22.304) 23.700 29.431 ( -0.000 -9.292 -1.182) 9.367 30.143 ( 0.000 22.223 -10.610) 24.626 31.598 ( -0.000 -5.574 -14.205) 15.260 31.902 ( -0.000 -1.930 -4.237) 4.656 31.982 ( 0.000 1.884 -4.414) 4.799 32.695 ( 0.000 1.277 12.481) 12.546 33.220 ( 0.000 0.277 15.938) 15.940 34.208 ( -0.000 -4.806 -8.859) 10.079 34.809 ( 0.000 3.254 -8.958) 9.531 105.341 ( 0.000 0.229 5.935) 5.940 105.456 ( -0.000 -1.370 4.154) 4.375 106.896 ( 0.000 0.023 -2.982) 2.982 106.966 ( 0.000 0.875 -4.152) 4.243 ======================= Grid point 169 (59/96) ======================= q-point: ( 0.29 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 4.295 -0.000 25.198) 25.562 4.044 ( -11.267 0.000 5.071) 12.355 4.207 ( -12.113 0.000 5.087) 13.137 4.550 ( -0.516 0.000 3.596) 3.633 4.659 ( -0.075 0.000 0.615) 0.619 4.705 ( 13.483 -0.000 4.545) 14.229 5.236 ( 7.834 -0.000 8.718) 11.720 5.598 ( 2.080 -0.000 1.107) 2.356 5.663 ( 3.960 -0.000 10.417) 11.144 5.762 ( 1.600 -0.000 16.217) 16.296 6.143 ( -12.157 0.000 10.058) 15.778 6.257 ( 14.753 -0.000 18.604) 23.744 6.933 ( 9.637 -0.000 34.125) 35.459 7.090 ( -14.580 0.000 9.936) 17.643 7.586 ( -25.821 0.000 17.780) 31.351 7.667 ( 1.260 -0.000 10.585) 10.659 8.066 ( -6.737 0.000 11.395) 13.237 8.098 ( 6.539 -0.000 1.473) 6.703 8.492 ( 25.495 -0.000 -0.069) 25.495 8.498 ( -27.289 0.000 4.735) 27.697 8.844 ( -2.886 0.000 4.685) 5.503 9.476 ( -4.369 0.000 6.849) 8.124 9.510 ( 16.155 -0.000 0.063) 16.156 9.907 ( 10.319 -0.000 -0.442) 10.329 10.011 ( -7.242 0.000 1.183) 7.337 10.302 ( -15.054 0.000 -9.486) 17.793 10.589 ( -14.436 0.000 -12.548) 19.127 10.692 ( -20.394 0.000 8.643) 22.150 11.032 ( 18.561 -0.000 -5.440) 19.342 11.059 ( -1.544 0.000 1.230) 1.973 11.407 ( 2.626 -0.000 0.716) 2.722 11.823 ( 24.325 -0.000 -3.104) 24.522 11.974 ( 9.049 -0.000 8.548) 12.448 12.178 ( 2.193 -0.000 -4.356) 4.877 12.601 ( 20.457 -0.000 -4.814) 21.016 12.657 ( 0.683 -0.000 -21.649) 21.659 13.150 ( 2.263 -0.000 -12.523) 12.726 13.397 ( -6.368 0.000 -27.060) 27.799 13.686 ( 2.708 -0.000 -20.465) 20.643 13.747 ( -17.166 0.000 -15.358) 23.033 14.229 ( -5.132 0.000 -15.949) 16.754 14.274 ( -3.546 0.000 -36.677) 36.848 14.803 ( 13.002 -0.000 -3.466) 13.457 14.857 ( -13.098 0.000 -0.111) 13.099 15.065 ( -6.116 0.000 4.797) 7.773 16.539 ( 2.268 -0.000 17.407) 17.555 16.584 ( 0.022 -0.000 23.039) 23.039 16.822 ( -0.358 0.000 18.720) 18.724 17.026 ( 6.613 -0.000 -17.118) 18.351 18.116 ( -11.332 0.000 -1.577) 11.441 18.250 ( -7.433 0.000 -28.268) 29.228 18.815 ( 20.784 -0.000 -4.203) 21.205 19.284 ( 1.999 -0.000 7.456) 7.719 19.980 ( 5.466 -0.000 1.424) 5.648 20.580 ( -0.090 0.000 -16.218) 16.219 20.684 ( 0.756 -0.000 -20.191) 20.205 20.890 ( 0.234 -0.000 -8.410) 8.413 20.975 ( -4.142 0.000 -7.222) 8.325 21.265 ( -4.636 0.000 -14.430) 15.157 21.319 ( 5.679 -0.000 -8.140) 9.925 21.855 ( -8.536 0.000 0.523) 8.552 21.967 ( -9.410 0.000 -10.029) 13.752 22.109 ( 1.567 -0.000 2.631) 3.062 22.255 ( 3.389 -0.000 4.969) 6.015 22.546 ( 5.567 -0.000 3.656) 6.660 22.631 ( -6.345 0.000 -2.860) 6.960 22.955 ( -8.086 0.000 0.327) 8.093 22.979 ( 4.303 -0.000 0.639) 4.350 23.144 ( -4.313 0.000 6.307) 7.641 23.157 ( 6.892 -0.000 6.928) 9.772 23.389 ( 5.025 -0.000 4.278) 6.599 23.502 ( -5.243 0.000 3.565) 6.340 23.694 ( 6.405 -0.000 0.639) 6.437 23.770 ( -6.264 0.000 2.487) 6.740 24.232 ( -1.853 0.000 10.781) 10.939 24.697 ( 7.917 -0.000 16.561) 18.356 24.711 ( 1.645 -0.000 10.666) 10.792 25.070 ( -3.986 0.000 -9.530) 10.330 25.190 ( -1.186 0.000 -2.252) 2.545 25.717 ( 13.181 -0.000 6.418) 14.660 26.930 ( -10.922 0.000 9.494) 14.471 27.424 ( 3.052 -0.000 4.679) 5.587 27.565 ( -2.536 0.000 7.954) 8.349 27.979 ( -4.691 0.000 9.336) 10.448 28.006 ( 0.150 -0.000 12.881) 12.881 28.171 ( 7.452 -0.000 1.812) 7.669 28.548 ( -0.649 0.000 16.167) 16.180 28.824 ( -8.092 0.000 18.949) 20.605 29.196 ( -12.380 0.000 0.110) 12.381 29.330 ( 0.259 -0.000 5.334) 5.341 29.720 ( 25.082 -0.000 10.051) 27.021 30.227 ( 12.687 -0.000 -1.901) 12.828 32.637 ( -6.510 0.000 2.885) 7.121 32.686 ( -3.629 0.000 12.366) 12.887 33.199 ( 16.369 -0.000 1.698) 16.457 33.480 ( -23.129 0.000 -15.336) 27.751 34.084 ( -14.898 0.000 -8.931) 17.370 34.670 ( 12.774 -0.000 -18.552) 22.525 105.372 ( 0.898 -0.000 6.125) 6.191 105.375 ( -1.034 0.000 6.056) 6.143 106.889 ( -0.023 0.000 -2.815) 2.815 106.970 ( 0.755 -0.000 -4.254) 4.321 ======================= Grid point 170 (60/96) ======================= q-point: (-0.57 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -5.868 4.962 18.071) 19.637 3.963 ( 3.962 -5.023 15.836) 17.080 4.198 ( 3.098 -5.172 15.422) 16.559 4.296 ( -9.212 0.833 19.728) 21.789 4.661 ( -0.794 -3.257 9.750) 10.310 5.149 ( 24.031 -0.237 -1.945) 24.111 5.344 ( 4.925 3.285 11.805) 13.206 5.579 ( -3.169 4.519 10.351) 11.730 5.690 ( 5.375 7.475 3.739) 9.937 5.804 ( 5.481 -5.122 11.592) 13.807 6.137 ( 2.500 -6.277 2.295) 7.135 6.561 ( 7.187 -0.503 27.376) 28.308 6.694 ( -18.972 2.084 14.717) 24.102 7.014 ( -11.296 -6.246 14.412) 19.347 7.305 ( 7.514 -2.237 10.134) 12.812 7.671 ( 0.629 3.333 5.496) 6.459 7.933 ( -9.762 1.859 6.138) 11.680 8.157 ( -3.543 3.344 7.260) 8.743 8.215 ( -3.775 -1.546 6.759) 7.895 8.646 ( -12.785 -0.765 -2.830) 13.116 8.731 ( -5.433 -4.547 -5.930) 9.239 9.475 ( -18.790 0.293 -6.936) 20.032 9.562 ( 5.535 1.866 2.819) 6.486 9.893 ( -15.741 3.401 7.913) 17.944 9.972 ( 4.462 1.734 -1.155) 4.925 10.112 ( 1.204 0.829 -3.366) 3.669 10.368 ( -3.542 -0.648 -0.220) 3.607 10.436 ( -10.369 -7.211 0.187) 12.631 11.139 ( 5.548 9.533 0.495) 11.041 11.297 ( 12.662 -5.538 1.638) 13.917 11.608 ( 17.815 -2.762 3.248) 18.318 12.000 ( 2.084 6.430 8.195) 10.623 12.138 ( 6.805 1.566 0.795) 7.028 12.339 ( 19.510 -1.333 -10.510) 22.201 12.561 ( -5.612 10.653 -17.636) 21.354 12.807 ( 0.561 -5.165 -14.296) 15.211 13.088 ( -3.994 10.260 -15.162) 18.738 13.308 ( -6.790 -6.296 -18.987) 21.124 13.632 ( 7.354 3.380 -16.544) 18.418 13.842 ( 5.783 -9.171 -24.697) 26.972 14.116 ( -3.175 1.530 -15.007) 15.415 14.262 ( -6.423 -8.811 -15.605) 19.036 14.643 ( -12.614 -3.213 -7.541) 15.044 14.966 ( 0.118 1.969 -0.427) 2.018 15.073 ( 12.226 -4.054 -4.295) 13.577 16.471 ( -0.167 8.548 23.746) 25.238 16.604 ( -1.425 -1.826 20.895) 21.023 16.856 ( 4.776 5.848 14.544) 16.387 17.195 ( 8.845 -8.207 -18.247) 21.876 17.916 ( -12.791 -1.657 -0.028) 12.898 18.104 ( -11.333 -1.454 -25.646) 28.076 19.135 ( 19.090 3.430 -5.033) 20.038 19.333 ( 4.724 1.343 4.516) 6.672 20.032 ( 6.112 9.165 0.067) 11.016 20.573 ( 0.210 1.310 -17.087) 17.138 20.728 ( 1.359 -2.621 -18.467) 18.701 20.863 ( -3.356 -0.479 -9.177) 9.783 20.912 ( -6.148 -3.887 -8.385) 11.100 21.211 ( -1.066 0.702 -13.590) 13.650 21.401 ( 3.419 -0.591 -7.189) 7.983 21.679 ( -21.858 -1.718 -8.747) 23.605 21.698 ( -10.173 -1.262 1.090) 10.308 22.114 ( -0.804 0.086 4.104) 4.183 22.286 ( -0.987 1.630 1.404) 2.367 22.574 ( 1.466 2.280 3.605) 4.511 22.622 ( 2.177 -2.841 5.135) 6.260 22.830 ( -6.772 -0.492 1.382) 6.929 22.962 ( -3.864 -0.115 4.707) 6.091 23.108 ( -0.010 0.344 5.637) 5.648 23.358 ( 4.041 2.500 1.864) 5.105 23.426 ( 6.103 -3.831 0.183) 7.208 23.529 ( 9.281 -1.704 0.966) 9.485 23.681 ( -2.094 1.414 0.148) 2.531 23.805 ( 5.686 0.139 -3.481) 6.669 24.143 ( -6.378 1.431 12.016) 13.679 24.716 ( 0.586 2.740 6.748) 7.307 24.837 ( 5.393 -3.177 17.533) 18.617 24.988 ( -5.108 0.304 -7.048) 8.710 25.349 ( 17.103 -2.525 2.146) 17.421 25.967 ( 16.353 1.585 7.506) 18.063 26.702 ( -14.962 -0.063 11.701) 18.994 27.349 ( -10.491 1.630 7.383) 12.932 27.528 ( -4.116 -2.618 7.990) 9.362 27.908 ( 1.525 4.084 1.674) 4.669 28.037 ( 0.232 -2.682 13.293) 13.563 28.316 ( 6.845 -4.444 4.577) 9.357 28.555 ( 0.013 1.957 16.494) 16.610 28.740 ( -0.784 -0.075 24.815) 24.828 29.022 ( -9.653 -2.122 2.292) 10.146 29.335 ( 1.422 1.365 -0.028) 1.971 30.158 ( 29.076 3.259 2.864) 29.398 30.509 ( 21.793 1.268 -3.691) 22.139 32.456 ( -16.191 0.594 -4.095) 16.712 32.581 ( -10.531 -0.531 8.482) 13.532 33.053 ( -18.647 6.256 -6.308) 20.655 33.383 ( -4.066 -8.354 5.130) 10.614 33.943 ( -1.500 -1.558 -8.726) 8.990 34.817 ( 6.901 2.045 -14.462) 16.154 105.361 ( -0.519 0.223 6.112) 6.138 105.389 ( 0.882 -0.431 6.115) 6.193 106.890 ( 0.060 -0.131 -2.943) 2.947 106.982 ( 0.793 0.308 -4.587) 4.665 ======================= Grid point 171 (61/96) ======================= q-point: (-0.43 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -4.943 21.318 27.649) 35.262 3.883 ( -9.000 18.185 31.503) 37.472 4.355 ( 17.122 -20.985 19.368) 33.296 4.603 ( 14.898 -16.607 18.050) 28.698 4.736 ( 3.649 -13.868 16.303) 21.713 5.192 ( -8.191 12.087 26.500) 30.256 5.399 ( 1.568 -0.550 -5.531) 5.776 5.492 ( -5.532 1.616 7.037) 9.096 5.750 ( 1.550 -1.544 3.404) 4.046 5.949 ( -10.424 -5.632 6.207) 13.376 6.060 ( -4.141 -11.920 10.282) 16.277 6.432 ( 15.494 11.573 -3.783) 19.705 6.812 ( 1.900 -7.772 47.653) 48.320 7.064 ( 11.386 -14.063 -3.836) 18.496 7.504 ( -6.425 4.786 -2.439) 8.374 7.650 ( 3.040 6.580 1.595) 7.422 7.801 ( 6.939 -0.165 5.415) 8.803 8.009 ( -18.918 0.063 -0.976) 18.944 8.127 ( 8.950 9.744 9.965) 16.564 8.517 ( -4.719 -2.108 -3.407) 6.190 8.685 ( -5.735 -10.051 -2.286) 11.795 9.031 ( -29.601 -4.381 -5.888) 30.497 9.341 ( -25.521 9.781 11.226) 29.547 9.742 ( 6.338 -0.927 -1.946) 6.694 9.958 ( -2.805 4.222 -9.645) 10.896 10.227 ( 5.179 4.706 -2.102) 7.307 10.455 ( 6.881 -8.436 2.125) 11.092 10.490 ( 6.981 -3.150 -1.075) 7.734 10.997 ( -6.426 15.102 8.393) 18.434 11.524 ( 10.406 -0.277 3.327) 10.929 11.780 ( -9.291 6.736 -1.264) 11.545 11.981 ( 11.058 -2.767 2.767) 11.730 12.240 ( 0.794 12.703 -16.603) 20.921 12.388 ( 13.258 2.514 -2.842) 13.791 12.645 ( 9.513 9.128 -4.862) 14.052 12.811 ( 0.245 -0.073 -11.334) 11.337 12.951 ( -1.956 1.430 -16.027) 16.210 13.233 ( -9.094 -8.421 -20.322) 23.803 13.777 ( 7.962 -0.083 -7.225) 10.752 13.935 ( -3.979 -5.169 -35.643) 36.235 14.081 ( -5.145 -5.718 -0.823) 7.736 14.295 ( 2.935 -10.151 -11.713) 15.775 14.556 ( -6.390 -9.154 -18.167) 21.323 14.982 ( 1.103 -5.774 0.362) 5.890 15.312 ( 9.852 -4.912 -2.043) 11.196 16.405 ( -0.921 3.148 24.200) 24.422 16.590 ( 4.210 12.105 20.738) 24.379 16.801 ( -3.158 7.270 13.763) 15.883 17.426 ( 10.562 -2.377 -14.075) 17.757 17.779 ( -7.493 -8.533 -3.551) 11.898 17.935 ( -11.750 -5.284 -20.866) 24.522 19.277 ( 5.189 10.145 -7.135) 13.445 19.458 ( 12.748 4.942 1.861) 13.798 20.000 ( 2.965 14.583 -3.070) 15.195 20.568 ( 0.859 1.216 -19.081) 19.139 20.721 ( -3.420 -0.582 -8.608) 9.281 20.785 ( -7.177 -0.949 -9.364) 11.836 20.882 ( -1.956 -5.324 -19.023) 19.851 21.223 ( 2.528 0.637 -12.221) 12.496 21.354 ( -11.930 -2.473 -5.125) 13.217 21.471 ( -2.955 -3.989 -4.588) 6.760 21.589 ( -5.657 -4.343 -4.553) 8.461 22.091 ( -1.338 0.282 5.636) 5.800 22.241 ( -2.397 -0.651 2.674) 3.650 22.592 ( 3.125 1.455 7.525) 8.277 22.671 ( 0.296 -2.236 6.046) 6.453 22.741 ( -4.789 -0.105 4.012) 6.248 22.943 ( 0.631 -2.342 2.421) 3.427 23.095 ( -3.663 -3.116 1.473) 5.029 23.305 ( 0.933 3.709 3.836) 5.417 23.605 ( 3.221 3.363 -2.289) 5.189 23.674 ( 5.058 -1.117 0.690) 5.226 23.715 ( 8.772 -0.800 1.614) 8.955 23.876 ( 3.651 -0.103 -7.199) 8.073 24.020 ( -5.582 3.070 11.259) 12.936 24.690 ( -0.119 2.491 -0.210) 2.503 24.879 ( -3.374 -0.309 3.772) 5.070 24.987 ( 3.731 -5.351 13.280) 14.796 25.673 ( 15.971 -2.909 5.651) 17.189 26.188 ( 11.995 1.726 9.047) 15.123 26.490 ( -10.862 -1.765 11.947) 16.243 27.113 ( -12.773 3.435 6.476) 14.727 27.497 ( -2.616 -3.115 7.502) 8.534 27.931 ( 3.980 3.669 2.360) 5.906 28.040 ( -1.894 -0.740 11.250) 11.432 28.437 ( 3.206 -1.065 11.721) 12.199 28.529 ( -2.082 -4.014 13.626) 14.356 28.778 ( 3.921 -0.820 19.747) 20.149 28.927 ( -5.881 -3.967 8.319) 10.933 29.351 ( 2.329 2.065 -3.106) 4.397 30.526 ( 21.722 13.270 -7.361) 26.497 30.949 ( 31.912 -2.975 -5.078) 32.450 32.111 ( -21.398 0.811 -6.047) 22.250 32.320 ( -23.526 -2.641 -4.365) 24.073 32.799 ( -7.659 2.092 6.344) 10.163 33.299 ( -8.879 -2.704 12.862) 15.861 34.021 ( 4.686 -3.814 -7.788) 9.857 34.875 ( 3.239 2.794 -11.141) 11.934 105.353 ( -0.217 0.365 6.079) 6.094 105.409 ( 0.666 -1.027 5.848) 5.974 106.892 ( 0.060 -0.180 -3.085) 3.091 106.988 ( 0.505 0.685 -4.791) 4.866 ======================= Grid point 172 (62/96) ======================= q-point: (-0.29 0.29 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 0.000 25.204 37.749) 45.390 3.610 ( 0.000 20.912 34.970) 40.746 4.729 ( -0.000 -2.254 19.781) 19.909 4.835 ( -0.000 -31.183 26.425) 40.874 4.995 ( 0.000 6.982 21.315) 22.429 5.202 ( -0.000 -33.873 25.236) 42.240 5.296 ( 0.000 1.895 -3.715) 4.171 5.362 ( 0.000 2.466 -0.459) 2.509 5.767 ( 0.000 2.806 -0.984) 2.974 5.808 ( -0.000 -5.042 -2.204) 5.503 6.240 ( -0.000 -16.221 13.613) 21.176 6.641 ( 0.000 8.670 -0.349) 8.677 6.865 ( -0.000 -6.789 43.190) 43.721 7.159 ( 0.000 4.146 -12.179) 12.866 7.424 ( -0.000 -8.177 0.045) 8.177 7.584 ( 0.000 2.590 8.211) 8.609 7.781 ( 0.000 1.498 7.399) 7.549 7.978 ( 0.000 8.798 7.384) 11.486 8.288 ( 0.000 4.612 3.557) 5.824 8.382 ( -0.000 -0.697 -4.176) 4.233 8.636 ( -0.000 -8.058 -9.885) 12.753 8.895 ( -0.000 -8.129 1.298) 8.232 8.981 ( 0.000 6.487 8.467) 10.666 9.804 ( 0.000 10.148 -5.913) 11.746 9.892 ( -0.000 -4.881 -8.715) 9.989 10.188 ( 0.000 9.168 -0.491) 9.181 10.580 ( -0.000 -4.572 -0.192) 4.576 10.640 ( -0.000 -6.967 1.224) 7.074 10.773 ( 0.000 11.987 6.600) 13.684 11.465 ( 0.000 19.951 -6.675) 21.038 11.692 ( -0.000 -4.726 3.931) 6.147 12.112 ( 0.000 10.994 -23.650) 26.080 12.131 ( -0.000 -3.457 1.880) 3.935 12.424 ( 0.000 28.134 -10.812) 30.140 12.593 ( 0.000 4.454 -5.443) 7.033 12.853 ( -0.000 -7.179 3.361) 7.927 12.995 ( 0.000 0.574 -6.145) 6.172 13.259 ( -0.000 -17.027 -25.457) 30.627 13.863 ( -0.000 -10.984 -9.542) 14.550 13.918 ( -0.000 -0.483 -14.216) 14.224 14.108 ( -0.000 -8.937 -17.652) 19.785 14.426 ( -0.000 -2.177 -23.666) 23.766 14.571 ( -0.000 -10.135 -15.952) 18.899 15.093 ( -0.000 -12.708 5.015) 13.662 15.468 ( -0.000 -10.334 3.592) 10.940 16.390 ( -0.000 -0.049 23.471) 23.471 16.409 ( 0.000 29.220 18.711) 34.697 16.744 ( -0.000 -1.937 16.895) 17.005 17.475 ( 0.000 9.704 -8.592) 12.962 17.841 ( -0.000 -4.692 -16.546) 17.199 17.909 ( -0.000 -19.661 -9.367) 21.778 19.204 ( 0.000 12.729 -8.388) 15.244 19.494 ( 0.000 12.593 -0.321) 12.597 19.869 ( 0.000 15.003 -7.065) 16.583 20.577 ( 0.000 0.377 -19.677) 19.680 20.688 ( -0.000 -3.215 -7.579) 8.233 20.736 ( -0.000 -2.231 -5.989) 6.391 20.899 ( -0.000 -1.176 -24.752) 24.780 21.248 ( 0.000 1.973 -12.398) 12.553 21.279 ( -0.000 -6.255 -1.947) 6.551 21.487 ( -0.000 -3.945 2.394) 4.614 21.590 ( -0.000 -3.757 -13.828) 14.329 22.079 ( -0.000 -0.427 6.682) 6.696 22.235 ( -0.000 -1.884 4.055) 4.471 22.653 ( 0.000 1.071 4.031) 4.171 22.667 ( -0.000 -3.706 13.945) 14.429 22.694 ( -0.000 -1.425 3.790) 4.049 22.981 ( -0.000 -2.465 3.127) 3.981 23.093 ( -0.000 -4.822 -1.275) 4.988 23.284 ( 0.000 5.081 6.201) 8.016 23.573 ( 0.000 4.521 -1.600) 4.796 23.741 ( -0.000 -1.044 -2.400) 2.617 23.764 ( 0.000 4.734 3.454) 5.860 23.919 ( 0.000 4.969 10.393) 11.520 23.941 ( -0.000 -3.261 -9.720) 10.252 24.674 ( 0.000 1.462 -7.118) 7.266 24.848 ( -0.000 -0.775 9.728) 9.759 25.085 ( -0.000 -6.016 17.285) 18.301 25.842 ( -0.000 -2.896 6.170) 6.815 26.307 ( -0.000 -0.473 9.313) 9.325 26.408 ( -0.000 -3.635 9.769) 10.423 26.948 ( 0.000 5.425 5.455) 7.693 27.506 ( -0.000 -3.882 6.905) 7.922 27.925 ( 0.000 6.018 5.697) 8.287 28.011 ( 0.000 1.859 8.441) 8.643 28.454 ( 0.000 0.168 18.764) 18.765 28.579 ( -0.000 -8.811 6.983) 11.243 28.861 ( -0.000 -0.720 5.043) 5.094 28.886 ( -0.000 -5.197 21.532) 22.150 29.363 ( 0.000 0.348 -1.731) 1.766 30.548 ( 0.000 20.397 -11.581) 23.455 31.450 ( -0.000 -9.875 -13.694) 16.883 31.870 ( -0.000 -1.325 -3.847) 4.069 32.012 ( 0.000 1.264 -4.166) 4.353 32.725 ( 0.000 1.716 11.307) 11.437 33.226 ( 0.000 0.296 16.289) 16.292 34.107 ( -0.000 -5.216 -7.693) 9.295 34.874 ( 0.000 3.208 -9.786) 10.299 105.347 ( 0.000 0.387 6.038) 6.051 105.427 ( -0.000 -1.476 5.344) 5.544 106.895 ( -0.000 -0.168 -3.150) 3.154 106.985 ( 0.000 0.968 -4.715) 4.813 ======================= Grid point 177 (63/96) ======================= q-point: (-0.57 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 8.275 -0.000 27.593) 28.807 3.982 ( 5.003 -0.000 18.922) 19.572 4.164 ( -4.474 0.000 26.914) 27.284 4.359 ( 14.563 -0.000 26.242) 30.012 4.592 ( -3.379 0.000 17.763) 18.081 5.343 ( -6.183 0.000 14.337) 15.613 5.391 ( 2.188 -0.000 -5.059) 5.512 5.562 ( -1.946 0.000 11.052) 11.222 5.680 ( -5.671 0.000 16.928) 17.852 5.883 ( 4.507 -0.000 8.872) 9.951 5.937 ( -21.208 0.000 1.732) 21.279 6.673 ( 7.789 -0.000 26.539) 27.659 6.710 ( 23.037 -0.000 -6.857) 24.036 6.812 ( 0.343 -0.000 17.677) 17.680 7.595 ( 11.225 -0.000 -3.390) 11.726 7.668 ( -16.511 0.000 -0.283) 16.514 7.823 ( 7.159 -0.000 3.193) 7.839 7.964 ( -11.605 0.000 -6.774) 13.437 8.313 ( 11.858 -0.000 11.238) 16.337 8.477 ( -17.039 0.000 -9.306) 19.414 8.555 ( -0.563 0.000 6.342) 6.367 8.978 ( -28.621 0.000 -7.975) 29.711 9.460 ( -29.983 0.000 15.753) 33.869 9.689 ( 2.608 -0.000 -3.590) 4.437 10.065 ( 2.539 -0.000 -6.665) 7.132 10.252 ( 8.765 -0.000 -4.281) 9.755 10.356 ( 6.528 -0.000 1.614) 6.724 10.445 ( 5.427 -0.000 -1.106) 5.538 11.195 ( -4.022 0.000 7.953) 8.912 11.495 ( 12.508 -0.000 1.441) 12.591 11.876 ( -10.838 0.000 11.093) 15.508 11.905 ( 18.000 -0.000 4.746) 18.615 12.356 ( 10.482 -0.000 0.290) 10.486 12.561 ( -7.676 0.000 -12.366) 14.555 12.608 ( 0.843 -0.000 -22.631) 22.646 12.701 ( 17.171 -0.000 -12.119) 21.017 13.098 ( -5.709 0.000 -15.096) 16.139 13.136 ( -10.216 0.000 -20.129) 22.574 13.830 ( 9.013 -0.000 -2.902) 9.469 13.854 ( -0.932 0.000 -33.225) 33.238 14.078 ( -6.655 0.000 -5.068) 8.365 14.103 ( 2.509 -0.000 -2.061) 3.247 14.444 ( -8.775 0.000 -19.049) 20.973 14.946 ( -0.526 0.000 -6.763) 6.784 15.264 ( 9.503 -0.000 -4.232) 10.403 16.422 ( -4.413 0.000 24.995) 25.382 16.669 ( 4.763 -0.000 17.284) 17.928 17.022 ( 7.031 -0.000 27.188) 28.082 17.283 ( 8.569 -0.000 -22.496) 24.073 17.708 ( -10.152 0.000 -4.765) 11.215 17.890 ( -12.663 0.000 -24.562) 27.634 19.377 ( 5.352 -0.000 -5.571) 7.725 19.501 ( 15.531 -0.000 -0.033) 15.531 20.177 ( 5.065 -0.000 -0.490) 5.089 20.600 ( 2.093 -0.000 -15.465) 15.606 20.728 ( -3.778 0.000 -16.141) 16.577 20.773 ( -6.387 0.000 -8.197) 10.392 20.779 ( -3.953 0.000 -14.025) 14.571 21.234 ( 3.178 -0.000 -12.726) 13.117 21.321 ( -15.448 0.000 -7.082) 16.994 21.455 ( 1.228 -0.000 -7.579) 7.678 21.511 ( -10.401 0.000 1.594) 10.523 22.096 ( -1.239 0.000 5.149) 5.296 22.234 ( -4.127 0.000 2.152) 4.654 22.603 ( -0.451 0.000 10.666) 10.676 22.655 ( 3.600 -0.000 3.156) 4.788 22.753 ( -2.611 0.000 2.065) 3.329 22.913 ( -1.688 0.000 -0.980) 1.952 23.061 ( -4.251 0.000 3.405) 5.446 23.344 ( 0.671 -0.000 4.645) 4.693 23.637 ( 10.400 -0.000 -5.873) 11.944 23.668 ( -0.520 0.000 1.605) 1.687 23.695 ( 11.301 -0.000 1.506) 11.401 23.880 ( 2.768 -0.000 -6.358) 6.934 24.052 ( -5.072 0.000 12.547) 13.533 24.726 ( -2.014 0.000 -3.375) 3.930 24.862 ( 1.544 -0.000 16.929) 16.999 24.936 ( -1.058 0.000 -0.534) 1.185 25.643 ( 16.788 -0.000 9.081) 19.087 26.208 ( 11.149 -0.000 8.499) 14.019 26.477 ( -11.201 0.000 13.615) 17.630 27.145 ( -12.578 0.000 6.991) 14.391 27.467 ( -1.971 0.000 7.768) 8.014 27.970 ( 2.661 -0.000 -2.040) 3.353 28.015 ( -0.927 0.000 14.368) 14.398 28.403 ( 5.286 -0.000 9.887) 11.212 28.529 ( -2.782 0.000 17.917) 18.131 28.771 ( 2.870 -0.000 28.677) 28.821 28.879 ( -5.922 0.000 0.031) 5.922 29.375 ( 2.036 -0.000 -5.363) 5.737 30.674 ( 29.586 -0.000 -5.146) 30.030 30.900 ( 23.972 -0.000 -8.480) 25.428 32.121 ( -23.641 0.000 -7.364) 24.761 32.292 ( -22.866 0.000 -3.151) 23.082 32.820 ( -8.890 0.000 5.194) 10.296 33.273 ( -4.836 0.000 15.204) 15.954 33.983 ( 4.315 -0.000 -7.409) 8.574 34.902 ( 2.760 -0.000 -11.521) 11.847 105.357 ( -0.187 0.000 6.065) 6.068 105.398 ( 0.516 -0.000 6.170) 6.191 106.890 ( 0.076 -0.000 -3.029) 3.030 106.995 ( 0.540 -0.000 -4.967) 4.997 ======================= Grid point 179 (64/96) ======================= q-point: (-0.43 0.43 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 0.000 28.281 32.542) 43.114 3.960 ( 0.000 13.295 28.836) 31.753 4.320 ( -0.000 -23.399 29.119) 37.355 4.585 ( -0.000 -8.153 17.067) 18.915 4.641 ( -0.000 -21.163 32.057) 38.413 5.220 ( 0.000 9.652 18.067) 20.483 5.333 ( 0.000 1.499 -6.499) 6.669 5.437 ( 0.000 8.514 9.174) 12.516 5.683 ( -0.000 -11.176 8.403) 13.983 5.789 ( -0.000 -0.391 0.912) 0.992 5.963 ( -0.000 -8.262 8.051) 11.536 6.749 ( -0.000 -3.723 54.556) 54.683 6.859 ( 0.000 13.055 -4.128) 13.692 7.171 ( -0.000 -14.937 -5.027) 15.760 7.306 ( 0.000 9.494 -16.320) 18.881 7.524 ( -0.000 -7.811 -12.651) 14.868 7.899 ( 0.000 6.570 7.930) 10.298 8.078 ( 0.000 0.523 -0.233) 0.572 8.245 ( -0.000 -3.832 -10.243) 10.937 8.442 ( 0.000 8.924 4.493) 9.991 8.626 ( 0.000 3.077 -0.653) 3.146 8.680 ( -0.000 -13.447 6.421) 14.901 9.125 ( 0.000 5.810 16.154) 17.167 9.737 ( -0.000 -7.041 -9.032) 11.453 10.023 ( 0.000 10.696 -4.093) 11.453 10.334 ( 0.000 3.290 -3.577) 4.860 10.437 ( -0.000 -5.571 -3.383) 6.518 10.532 ( -0.000 -5.059 -0.613) 5.096 11.079 ( 0.000 13.348 10.430) 16.940 11.627 ( -0.000 -1.858 1.012) 2.116 11.735 ( 0.000 6.066 8.743) 10.642 12.098 ( -0.000 -0.444 5.075) 5.095 12.272 ( 0.000 7.854 -10.723) 13.292 12.654 ( 0.000 1.799 -5.658) 5.938 12.655 ( -0.000 -9.027 -15.939) 18.317 12.855 ( 0.000 12.032 -12.619) 17.436 12.989 ( -0.000 -0.640 -10.195) 10.215 13.025 ( -0.000 -7.468 -21.198) 22.475 13.777 ( 0.000 3.564 -13.971) 14.418 13.936 ( -0.000 -9.761 -15.358) 18.197 14.001 ( 0.000 9.103 -5.151) 10.460 14.248 ( -0.000 -14.041 -5.547) 15.097 14.386 ( -0.000 -7.036 -22.427) 23.504 14.955 ( -0.000 -2.127 -7.351) 7.652 15.356 ( -0.000 -2.761 -2.594) 3.788 16.386 ( -0.000 -0.162 24.511) 24.511 16.718 ( -0.000 -0.750 16.051) 16.069 16.935 ( 0.000 24.715 23.178) 33.883 17.513 ( -0.000 -20.986 -10.581) 23.503 17.598 ( 0.000 3.552 -11.343) 11.886 17.770 ( -0.000 -2.477 -22.677) 22.812 19.387 ( 0.000 5.619 -6.442) 8.548 19.646 ( 0.000 3.717 -0.367) 3.735 20.164 ( 0.000 11.814 -1.781) 11.947 20.611 ( 0.000 3.952 -19.352) 19.751 20.642 ( -0.000 -1.328 -9.412) 9.505 20.698 ( -0.000 -1.386 -5.412) 5.587 20.821 ( -0.000 -6.692 -22.173) 23.161 21.199 ( -0.000 -1.997 -5.188) 5.559 21.280 ( 0.000 1.293 -14.804) 14.860 21.411 ( -0.000 -3.016 3.559) 4.665 21.492 ( -0.000 -4.645 -8.211) 9.434 22.082 ( 0.000 0.393 5.755) 5.769 22.202 ( -0.000 -1.153 3.393) 3.583 22.607 ( -0.000 -1.809 12.813) 12.940 22.685 ( -0.000 -0.194 1.897) 1.907 22.714 ( 0.000 3.969 3.166) 5.077 22.920 ( -0.000 -3.437 -1.838) 3.898 23.027 ( -0.000 -1.808 1.009) 2.070 23.353 ( 0.000 1.963 6.103) 6.411 23.649 ( 0.000 2.870 1.016) 3.045 23.721 ( -0.000 -0.725 -2.080) 2.203 23.812 ( -0.000 -0.228 -0.529) 0.576 23.900 ( -0.000 -0.259 -8.727) 8.731 23.994 ( 0.000 2.345 12.201) 12.425 24.695 ( 0.000 0.632 -7.622) 7.648 24.862 ( 0.000 1.840 12.505) 12.640 24.965 ( -0.000 -5.250 8.434) 9.935 25.804 ( -0.000 -1.279 10.341) 10.420 26.316 ( 0.000 0.857 10.471) 10.506 26.367 ( -0.000 -0.929 12.372) 12.407 27.017 ( 0.000 1.881 6.003) 6.291 27.457 ( -0.000 -1.312 7.508) 7.622 27.991 ( 0.000 0.968 -1.120) 1.480 28.009 ( -0.000 -0.825 13.475) 13.500 28.461 ( -0.000 -2.597 12.288) 12.559 28.492 ( 0.000 2.263 17.872) 18.014 28.811 ( -0.000 -2.594 28.153) 28.272 28.835 ( -0.000 -1.352 0.095) 1.355 29.388 ( 0.000 1.242 -6.643) 6.759 30.895 ( 0.000 15.506 -12.418) 19.866 31.237 ( -0.000 -11.895 -13.233) 17.794 31.853 ( -0.000 -0.467 -3.659) 3.689 32.028 ( 0.000 0.439 -3.837) 3.862 32.751 ( 0.000 0.821 10.261) 10.293 33.229 ( 0.000 0.104 16.668) 16.669 34.034 ( -0.000 -2.178 -6.910) 7.245 34.918 ( 0.000 1.257 -10.290) 10.366 105.354 ( 0.000 0.268 6.050) 6.056 105.406 ( -0.000 -0.664 6.062) 6.098 106.892 ( -0.000 -0.103 -3.091) 3.093 106.998 ( 0.000 0.374 -5.065) 5.079 ======================= Grid point 204 (65/96) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 0.000 0.000 43.853) 43.853 3.861 ( 0.000 0.000 33.167) 33.167 4.829 ( 0.000 0.000 -0.141) 0.141 5.136 ( 0.000 0.000 2.198) 2.198 5.191 ( 0.000 0.000 -1.235) 1.235 5.382 ( 0.000 0.000 4.205) 4.205 5.597 ( 0.000 0.000 -12.289) 12.289 5.691 ( 0.000 0.000 -0.097) 0.097 5.986 ( 0.000 0.000 2.475) 2.475 6.214 ( 0.000 0.000 -4.293) 4.293 6.676 ( 0.000 0.000 21.070) 21.070 6.962 ( 0.000 0.000 7.076) 7.076 7.031 ( 0.000 0.000 12.220) 12.220 7.437 ( 0.000 0.000 10.043) 10.043 7.627 ( 0.000 0.000 4.766) 4.766 7.855 ( 0.000 0.000 8.650) 8.650 7.918 ( 0.000 0.000 1.457) 1.457 8.144 ( 0.000 0.000 -3.712) 3.712 8.215 ( 0.000 0.000 16.174) 16.174 8.642 ( 0.000 0.000 18.784) 18.784 8.773 ( 0.000 0.000 -7.223) 7.223 8.778 ( 0.000 0.000 22.173) 22.173 9.149 ( 0.000 0.000 4.213) 4.213 9.619 ( 0.000 0.000 -8.362) 8.362 9.733 ( 0.000 0.000 6.399) 6.399 10.043 ( 0.000 0.000 7.069) 7.069 10.569 ( 0.000 0.000 -11.051) 11.051 10.673 ( 0.000 0.000 -2.802) 2.802 10.761 ( 0.000 0.000 -5.852) 5.852 10.798 ( 0.000 0.000 -19.231) 19.231 11.208 ( 0.000 0.000 -5.939) 5.939 11.278 ( 0.000 0.000 -9.885) 9.885 12.012 ( 0.000 0.000 4.484) 4.484 12.181 ( 0.000 0.000 -13.246) 13.246 12.339 ( 0.000 0.000 8.076) 8.076 12.913 ( 0.000 0.000 -4.871) 4.871 12.988 ( 0.000 0.000 -34.677) 34.677 13.253 ( 0.000 0.000 -18.053) 18.053 13.434 ( 0.000 0.000 -6.049) 6.049 13.626 ( 0.000 0.000 -15.988) 15.988 13.883 ( 0.000 0.000 -5.517) 5.517 14.373 ( 0.000 0.000 -13.524) 13.524 15.206 ( 0.000 0.000 29.649) 29.649 15.226 ( 0.000 0.000 -6.872) 6.872 15.907 ( 0.000 0.000 13.703) 13.703 16.052 ( 0.000 0.000 -25.715) 25.715 16.825 ( 0.000 0.000 26.269) 26.269 17.133 ( 0.000 0.000 23.647) 23.647 17.549 ( 0.000 0.000 32.134) 32.134 17.777 ( 0.000 0.000 -4.914) 4.914 18.125 ( 0.000 0.000 -14.285) 14.285 18.459 ( 0.000 0.000 -18.363) 18.363 19.084 ( 0.000 0.000 4.197) 4.197 19.309 ( 0.000 0.000 -16.908) 16.908 20.141 ( 0.000 0.000 -24.191) 24.191 20.261 ( 0.000 0.000 -34.203) 34.203 20.655 ( 0.000 0.000 -4.736) 4.736 20.663 ( 0.000 0.000 -4.900) 4.900 21.063 ( 0.000 0.000 -4.540) 4.540 21.250 ( 0.000 0.000 -12.982) 12.982 21.537 ( 0.000 0.000 3.702) 3.702 21.593 ( 0.000 0.000 0.656) 0.656 22.263 ( 0.000 0.000 4.169) 4.169 22.336 ( 0.000 0.000 2.040) 2.040 22.746 ( 0.000 0.000 2.090) 2.090 23.000 ( 0.000 0.000 9.509) 9.509 23.052 ( 0.000 0.000 15.605) 15.605 23.119 ( 0.000 0.000 5.234) 5.234 23.122 ( 0.000 0.000 -9.105) 9.105 23.182 ( 0.000 0.000 3.740) 3.740 23.406 ( 0.000 0.000 -3.870) 3.870 23.633 ( 0.000 0.000 -4.673) 4.673 23.690 ( 0.000 0.000 3.277) 3.277 23.910 ( 0.000 0.000 -3.403) 3.403 23.994 ( 0.000 0.000 8.785) 8.785 24.498 ( 0.000 0.000 -7.313) 7.313 25.246 ( 0.000 0.000 14.298) 14.298 25.424 ( 0.000 0.000 15.715) 15.715 26.144 ( 0.000 0.000 -8.234) 8.234 26.238 ( 0.000 0.000 3.092) 3.092 26.700 ( 0.000 0.000 0.703) 0.703 26.717 ( 0.000 0.000 0.657) 0.657 27.779 ( 0.000 0.000 4.588) 4.588 27.888 ( 0.000 0.000 1.650) 1.650 28.101 ( 0.000 0.000 21.313) 21.313 28.740 ( 0.000 0.000 7.546) 7.546 28.905 ( 0.000 0.000 15.867) 15.867 29.060 ( 0.000 0.000 9.885) 9.885 29.405 ( 0.000 0.000 -2.006) 2.006 29.440 ( 0.000 0.000 -18.497) 18.497 29.874 ( 0.000 0.000 23.567) 23.567 31.318 ( 0.000 0.000 -19.030) 19.030 31.849 ( 0.000 0.000 -3.436) 3.436 31.872 ( 0.000 0.000 -3.659) 3.659 32.961 ( 0.000 0.000 14.710) 14.710 33.487 ( 0.000 0.000 9.244) 9.244 34.095 ( 0.000 0.000 -5.129) 5.129 34.587 ( 0.000 0.000 -10.332) 10.332 105.450 ( 0.000 0.000 5.047) 5.047 105.531 ( 0.000 0.000 2.408) 2.408 106.846 ( 0.000 0.000 -2.106) 2.106 106.882 ( 0.000 0.000 -3.365) 3.365 ======================= Grid point 205 (66/96) ======================= q-point: ( 0.14 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 2.946 -4.596 34.577) 35.005 3.960 ( 7.663 -7.068 31.638) 33.311 4.864 ( -3.855 -0.727 -0.453) 3.949 4.961 ( -19.080 2.214 1.343) 19.255 5.132 ( -1.364 -1.146 0.610) 1.883 5.251 ( -11.649 -0.845 1.398) 11.763 5.416 ( -17.837 3.625 -10.878) 21.205 5.543 ( -18.696 -4.238 -3.661) 19.516 6.091 ( 15.926 2.539 8.900) 18.420 6.324 ( 6.945 3.807 2.969) 8.458 6.683 ( 5.934 17.750 19.698) 27.171 6.788 ( -12.436 4.270 11.886) 17.724 7.200 ( 11.815 3.320 4.448) 13.054 7.345 ( -11.386 -4.826 6.797) 14.111 7.465 ( -1.668 -2.434 2.129) 3.638 7.599 ( -12.452 -0.514 5.472) 13.611 8.026 ( 0.565 -1.460 19.795) 19.857 8.260 ( 15.148 3.693 0.803) 15.612 8.416 ( 17.603 3.436 7.734) 19.531 8.633 ( -3.257 1.188 9.681) 10.284 8.863 ( 8.726 -1.922 14.375) 16.926 9.068 ( 20.255 -4.169 11.470) 23.648 9.239 ( 19.709 5.458 -0.396) 20.455 9.696 ( 1.194 -0.451 -2.971) 3.234 9.801 ( 8.081 -5.300 -0.842) 9.701 9.999 ( -1.720 -1.344 2.797) 3.548 10.530 ( -9.551 0.383 -2.390) 9.853 10.606 ( -6.303 2.536 -6.169) 9.177 10.712 ( 7.708 -0.038 -7.776) 10.949 11.026 ( 14.795 -11.954 -17.187) 25.636 11.268 ( 6.434 -1.122 -6.482) 9.202 11.456 ( 6.002 -15.929 -7.891) 18.762 11.903 ( -7.408 4.639 3.839) 9.546 12.140 ( -7.587 -1.897 -8.483) 11.538 12.246 ( -9.992 -1.960 2.110) 10.398 12.745 ( -17.424 2.651 -7.390) 19.111 13.019 ( 4.275 2.282 -29.353) 29.750 13.259 ( 0.639 3.191 -2.770) 4.274 13.424 ( 1.265 2.177 -20.633) 20.786 13.572 ( -6.202 -0.493 -16.640) 17.765 13.820 ( -8.571 -1.535 -6.835) 11.070 14.366 ( -1.071 2.801 -15.406) 15.695 15.072 ( -5.290 11.673 22.299) 25.720 15.184 ( -4.041 0.146 -1.069) 4.183 15.802 ( -13.955 0.748 8.494) 16.354 16.136 ( 7.423 -4.253 -18.820) 20.673 16.874 ( 4.467 0.853 23.261) 23.702 17.129 ( -1.210 -1.027 21.774) 21.831 17.490 ( -1.918 5.983 28.828) 29.505 17.822 ( 4.064 6.771 -7.408) 10.828 18.067 ( 1.052 4.326 -9.166) 10.190 18.426 ( -9.427 -16.420 -14.828) 24.049 19.225 ( 9.158 -7.089 5.371) 12.766 19.461 ( 13.515 -2.504 -14.904) 20.274 20.124 ( -0.785 3.010 -26.222) 26.406 20.257 ( -1.870 -4.797 -29.743) 30.185 20.669 ( 1.349 0.968 -4.997) 5.266 20.713 ( 6.134 0.155 -6.788) 9.150 21.054 ( -0.991 0.298 -4.626) 4.740 21.240 ( -2.457 -2.272 -12.259) 12.708 21.572 ( 5.645 3.391 2.334) 6.986 21.620 ( 3.961 0.536 0.184) 4.001 22.249 ( -0.635 2.024 4.666) 5.125 22.340 ( 0.384 0.270 2.024) 2.077 22.652 ( -7.763 -0.194 3.608) 8.563 22.872 ( -6.499 3.747 0.994) 7.567 22.995 ( -4.582 -0.620 6.295) 7.811 23.119 ( -1.122 4.200 0.441) 4.370 23.177 ( -0.640 -0.033 5.592) 5.628 23.246 ( 7.423 -1.290 3.963) 8.513 23.385 ( -2.856 -1.813 -5.437) 6.404 23.673 ( 1.847 -0.864 -3.972) 4.465 23.760 ( 6.492 -0.008 5.240) 8.343 23.906 ( 2.083 1.914 2.370) 3.691 24.050 ( 4.967 -2.875 7.915) 9.777 24.545 ( 5.200 -1.153 -6.474) 8.383 25.154 ( -5.639 7.068 12.004) 15.029 25.376 ( -8.991 -5.489 15.711) 18.916 25.883 ( -18.924 9.038 -5.666) 21.724 26.160 ( -15.344 -8.005 0.338) 17.310 26.769 ( 10.709 4.453 3.087) 12.002 26.898 ( 12.417 -7.802 -0.601) 14.677 27.801 ( 4.385 3.368 5.315) 7.670 27.936 ( 2.178 -3.241 2.221) 4.493 28.090 ( 1.293 2.563 17.620) 17.852 28.659 ( -10.311 -3.867 10.636) 15.310 28.956 ( 5.893 -0.104 15.529) 16.609 29.138 ( 6.830 3.050 5.417) 9.235 29.181 ( -4.963 16.541 -6.801) 18.560 29.549 ( -5.526 -14.962 -6.158) 17.097 29.836 ( -5.383 -3.333 19.445) 20.450 30.928 ( -30.518 1.070 -7.605) 31.470 32.023 ( 17.423 0.191 -3.013) 17.683 32.223 ( 29.451 0.559 -10.473) 31.263 32.965 ( 0.306 -0.360 14.286) 14.294 33.551 ( 7.657 0.286 5.843) 9.636 34.028 ( -6.910 1.944 -5.407) 8.987 34.540 ( -6.389 -1.570 -10.663) 12.529 105.453 ( 0.255 -0.151 5.018) 5.027 105.524 ( -0.641 0.217 2.756) 2.838 106.845 ( -0.086 0.081 -2.110) 2.113 106.883 ( -0.064 -0.251 -3.389) 3.399 ======================= Grid point 206 (67/96) ======================= q-point: ( 0.29 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( 12.379 -5.159 17.700) 22.207 4.206 ( 7.313 -13.859 24.683) 29.237 4.542 ( -16.648 7.664 2.281) 18.469 4.687 ( -18.232 1.354 -1.620) 18.353 4.939 ( -19.113 1.746 -2.340) 19.335 5.101 ( -15.574 3.061 -7.318) 17.478 5.193 ( -9.428 -1.095 -3.628) 10.161 5.403 ( 6.947 -7.113 2.038) 10.149 6.102 ( -14.259 12.015 14.739) 23.768 6.247 ( -4.483 4.837 6.139) 9.010 6.572 ( -3.832 8.673 16.062) 18.652 6.734 ( -1.430 0.387 5.871) 6.055 7.104 ( 8.069 2.942 11.702) 14.515 7.312 ( 4.269 -2.002 11.546) 12.472 7.644 ( 11.561 0.239 11.383) 16.226 7.804 ( 21.908 -6.049 7.160) 23.829 8.030 ( -0.674 -2.224 14.303) 14.490 8.367 ( 1.951 6.664 8.865) 11.261 8.570 ( 3.529 2.456 6.132) 7.490 8.727 ( 18.413 7.082 6.738) 20.847 8.865 ( -2.325 -1.315 2.611) 3.735 9.362 ( 5.158 0.335 5.760) 7.739 9.565 ( 11.923 1.421 1.779) 12.138 9.778 ( 14.320 -4.121 6.287) 16.173 9.907 ( 3.356 -2.124 2.266) 4.572 10.105 ( 4.592 1.709 -4.559) 6.693 10.380 ( -2.123 -0.514 0.360) 2.214 10.570 ( 8.204 -1.625 -6.765) 10.757 10.850 ( 0.683 -3.987 -2.504) 4.757 11.290 ( -4.278 -8.714 -11.539) 15.079 11.499 ( 14.563 -5.626 -8.693) 17.869 11.626 ( 7.373 -8.938 -2.095) 11.775 11.806 ( -6.185 -3.961 -4.331) 8.527 11.949 ( -12.036 1.547 -0.797) 12.161 12.180 ( -1.522 -7.459 -5.728) 9.527 12.394 ( -16.307 3.841 -9.716) 19.366 13.033 ( -1.927 3.335 -13.379) 13.923 13.182 ( -3.345 3.160 -2.192) 5.097 13.446 ( -4.522 2.636 -20.183) 20.851 13.481 ( 2.691 0.847 -26.446) 26.596 13.649 ( -10.292 1.470 -12.988) 16.637 14.225 ( -13.354 2.278 -19.144) 23.453 14.934 ( 0.394 6.832 17.186) 18.499 15.115 ( -3.658 0.670 2.514) 4.489 15.514 ( -13.647 8.316 9.393) 18.537 16.276 ( 3.262 -4.575 -18.806) 19.628 16.911 ( -0.022 -0.868 15.985) 16.009 17.115 ( -1.584 -1.574 18.688) 18.820 17.396 ( -1.923 6.933 26.317) 27.283 17.713 ( -1.978 12.571 -20.111) 23.800 18.205 ( 15.274 0.145 4.595) 15.951 18.505 ( -5.202 -22.539 -6.634) 24.064 19.418 ( 5.359 -6.348 9.043) 12.280 19.661 ( 7.978 3.055 -11.347) 14.204 20.081 ( 0.084 2.505 -29.174) 29.281 20.303 ( 0.047 -6.731 -23.343) 24.294 20.688 ( 1.896 0.598 -5.604) 5.947 20.818 ( 5.818 0.475 -9.048) 10.768 21.033 ( -0.084 1.012 -4.636) 4.746 21.217 ( -3.589 -3.688 -10.357) 11.565 21.646 ( 7.354 3.116 -1.277) 8.089 21.715 ( 7.698 0.768 -2.057) 8.005 22.216 ( -0.986 1.329 4.563) 4.854 22.339 ( 0.572 0.982 2.356) 2.616 22.566 ( -3.931 -1.146 3.784) 5.576 22.758 ( -5.853 0.032 -3.109) 6.628 22.953 ( 1.135 1.565 2.695) 3.317 23.024 ( -4.753 2.890 1.008) 5.653 23.154 ( -1.698 -0.871 2.723) 3.325 23.319 ( -3.134 0.168 -3.905) 5.010 23.398 ( 5.726 -2.625 3.520) 7.216 23.655 ( -3.702 0.387 -3.740) 5.277 23.803 ( 0.926 4.547 6.940) 8.348 23.940 ( 4.516 6.583 6.554) 10.328 24.219 ( 9.712 -5.793 11.131) 15.867 24.687 ( 10.028 -1.325 -3.244) 10.623 24.991 ( -5.912 4.539 7.088) 10.285 25.239 ( -13.140 -4.600 14.315) 19.968 25.477 ( -18.731 6.541 -4.207) 20.281 25.938 ( -18.547 -6.431 -0.688) 19.642 26.927 ( 11.937 2.325 5.967) 13.547 27.196 ( 13.060 -8.580 -0.978) 15.657 27.833 ( 1.438 2.652 6.939) 7.567 27.941 ( 0.877 4.534 6.756) 8.184 28.156 ( 6.386 -0.959 6.306) 9.026 28.527 ( -10.315 -5.128 11.471) 16.257 28.850 ( -10.848 11.788 -2.589) 16.228 29.109 ( 8.196 1.748 13.007) 15.473 29.254 ( 5.426 1.195 2.791) 6.217 29.547 ( -2.854 -3.917 8.841) 10.082 29.797 ( -6.449 -8.901 8.961) 14.182 30.464 ( -23.983 0.623 -1.318) 24.027 32.379 ( 23.857 0.288 -2.111) 23.952 32.641 ( 21.688 0.190 -5.576) 22.394 32.975 ( -0.101 -1.209 12.432) 12.492 33.683 ( 3.931 3.330 -2.500) 5.726 33.868 ( -4.055 2.450 -6.248) 7.841 34.414 ( -11.544 -3.257 -11.675) 16.738 105.461 ( 0.486 -0.247 4.914) 4.944 105.508 ( -0.927 0.306 3.512) 3.645 106.842 ( -0.088 0.064 -2.124) 2.126 106.884 ( -0.086 -0.275 -3.442) 3.454 ======================= Grid point 207 (68/96) ======================= q-point: ( 0.43 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 13.688 -1.106 3.014) 14.060 4.207 ( -3.666 0.739 5.496) 6.647 4.415 ( -8.869 -1.503 -1.738) 9.162 4.516 ( -1.927 -9.136 4.732) 10.468 4.621 ( -12.372 1.142 -1.570) 12.524 4.811 ( -11.604 6.944 -5.465) 14.585 5.193 ( 11.039 -1.967 9.275) 14.552 5.530 ( -10.872 2.883 10.923) 15.678 5.842 ( 5.036 1.137 9.659) 10.952 6.114 ( -5.432 1.873 6.389) 8.593 6.349 ( -12.653 3.139 11.002) 17.059 6.600 ( -6.305 0.344 5.381) 8.296 7.335 ( 10.879 1.848 16.802) 20.102 7.606 ( 18.295 -1.906 15.415) 23.999 7.782 ( 6.230 -2.197 17.968) 19.144 7.999 ( -0.007 3.279 19.315) 19.591 8.165 ( 9.271 -5.291 2.079) 10.875 8.288 ( -2.696 3.688 9.536) 10.574 8.519 ( -6.595 3.076 7.027) 10.116 8.810 ( 5.133 0.583 5.169) 7.307 9.045 ( 14.443 2.482 -2.131) 14.808 9.252 ( -14.590 -4.623 -4.249) 15.884 9.682 ( 5.678 4.669 4.590) 8.666 9.850 ( -7.688 -1.825 9.642) 12.466 10.005 ( 5.571 -0.808 5.298) 7.730 10.189 ( 11.487 2.422 -4.406) 12.539 10.495 ( 3.581 1.118 -1.640) 4.095 10.746 ( 5.497 -2.840 -0.275) 6.193 10.979 ( 14.925 -7.868 -3.823) 17.300 11.142 ( -12.167 -1.595 -5.066) 13.276 11.485 ( -10.850 3.353 4.410) 12.182 11.578 ( -17.775 4.066 -11.156) 21.376 11.854 ( 11.603 -5.831 -7.270) 14.882 12.021 ( 1.703 -3.366 -0.372) 3.791 12.251 ( 4.094 -3.176 -10.608) 11.806 12.327 ( 4.244 -5.088 -9.332) 11.445 12.936 ( -1.724 0.234 -3.006) 3.473 13.105 ( -7.262 3.202 -8.510) 11.637 13.328 ( 0.629 6.393 -19.800) 20.816 13.398 ( -10.167 -2.990 -20.792) 23.337 13.670 ( 12.530 4.093 -26.767) 29.837 13.950 ( -16.787 -1.511 -21.004) 26.931 14.942 ( 3.403 -0.326 11.015) 11.534 15.039 ( -4.414 2.117 7.811) 9.219 15.277 ( -5.076 5.271 10.638) 12.912 16.329 ( 0.406 -1.272 -18.528) 18.576 16.907 ( -1.100 -1.180 5.825) 6.044 17.119 ( -0.008 -1.497 20.540) 20.595 17.312 ( -1.230 4.023 20.631) 21.056 17.605 ( -0.644 4.652 -18.663) 19.245 18.451 ( 13.717 3.626 6.802) 15.734 18.596 ( -6.471 -14.004 -0.359) 15.431 19.512 ( 1.060 -2.938 12.092) 12.489 19.670 ( 0.449 4.565 -9.666) 10.699 20.083 ( 0.779 0.387 -29.337) 29.350 20.354 ( 0.133 -2.819 -20.035) 20.233 20.715 ( 1.182 -0.247 -6.851) 6.957 20.859 ( 0.488 0.908 -8.886) 8.946 21.057 ( 3.020 0.475 -6.397) 7.090 21.193 ( -2.649 -2.347 -8.134) 8.871 21.734 ( 4.034 0.687 -3.349) 5.288 21.831 ( 5.571 0.241 -6.226) 8.358 22.193 ( -0.963 0.045 3.311) 3.449 22.347 ( 0.633 0.945 1.376) 1.785 22.531 ( -0.294 -0.737 4.641) 4.708 22.662 ( -5.446 0.075 0.157) 5.449 22.950 ( -1.733 0.675 -0.173) 1.868 22.998 ( 4.655 1.741 -1.860) 5.306 23.134 ( -3.064 -2.546 -0.457) 4.010 23.259 ( -2.188 0.688 -0.399) 2.328 23.525 ( 5.083 -3.555 3.694) 7.219 23.591 ( -2.723 -0.065 -0.346) 2.745 23.743 ( -0.904 5.812 8.674) 10.480 23.912 ( -0.444 4.086 4.204) 5.879 24.402 ( 6.075 -1.729 11.294) 12.940 24.842 ( 5.650 0.983 1.582) 5.949 24.908 ( -0.948 -0.821 5.509) 5.650 25.056 ( -10.238 -1.675 8.113) 13.169 25.237 ( -4.821 2.249 0.539) 5.347 25.728 ( -10.216 -2.911 -1.948) 10.799 27.086 ( 7.069 0.138 8.596) 11.130 27.413 ( 3.924 -3.437 1.071) 5.325 27.815 ( 0.128 -1.671 5.574) 5.821 27.943 ( 3.176 4.880 3.451) 6.769 28.240 ( 2.115 -0.611 5.829) 6.231 28.402 ( -6.989 1.139 0.140) 7.083 28.649 ( -3.663 1.627 9.238) 10.070 29.155 ( -0.659 0.947 7.028) 7.122 29.312 ( 3.299 0.658 7.504) 8.224 29.599 ( 5.439 0.042 15.980) 16.881 29.770 ( -5.056 -4.873 7.082) 9.973 30.162 ( -10.880 0.093 -1.851) 11.037 32.682 ( 10.695 1.493 1.162) 10.861 32.964 ( 7.039 -1.550 7.137) 10.143 33.002 ( 11.745 -3.227 4.097) 12.850 33.452 ( -17.634 4.918 -7.306) 19.711 34.007 ( 15.590 3.373 -10.621) 19.164 34.230 ( -14.874 -4.145 -12.608) 19.934 105.473 ( 0.659 -0.270 4.683) 4.737 105.490 ( -0.842 0.289 4.207) 4.300 106.841 ( -0.034 0.019 -2.136) 2.137 106.885 ( -0.039 -0.113 -3.484) 3.486 ======================= Grid point 212 (69/96) ======================= q-point: ( 0.14 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 14.272 -0.000 17.776) 22.797 4.060 ( 6.944 -0.000 25.526) 26.454 4.649 ( -16.610 0.000 0.621) 16.621 4.673 ( -20.013 0.000 -1.217) 20.050 4.951 ( -20.440 0.000 -3.678) 20.768 5.133 ( -10.494 0.000 -4.065) 11.254 5.183 ( -9.643 0.000 -6.258) 11.495 5.330 ( 7.321 -0.000 2.733) 7.814 6.228 ( -15.941 0.000 8.679) 18.150 6.297 ( -2.791 0.000 5.216) 5.916 6.679 ( -13.543 0.000 21.885) 25.737 6.736 ( -4.475 0.000 4.355) 6.245 7.141 ( 10.259 -0.000 8.758) 13.489 7.288 ( 3.777 -0.000 20.257) 20.606 7.648 ( 15.369 -0.000 16.115) 22.269 7.725 ( 19.808 -0.000 2.714) 19.993 8.011 ( 0.398 -0.000 13.677) 13.683 8.397 ( 0.697 -0.000 0.723) 1.005 8.660 ( 1.338 -0.000 14.933) 14.993 8.742 ( 13.641 -0.000 1.365) 13.709 8.874 ( 1.053 -0.000 11.356) 11.405 9.366 ( 11.263 -0.000 5.185) 12.400 9.594 ( -4.737 0.000 8.121) 9.402 9.727 ( 26.508 -0.000 -0.740) 26.519 9.886 ( 6.717 -0.000 1.828) 6.961 10.118 ( 8.859 -0.000 -7.322) 11.493 10.387 ( -3.781 0.000 -1.336) 4.010 10.541 ( 5.046 -0.000 -7.776) 9.270 10.827 ( -3.551 0.000 -4.477) 5.714 11.178 ( 8.091 -0.000 -10.635) 13.363 11.446 ( 17.967 -0.000 -5.557) 18.807 11.499 ( 8.272 -0.000 -8.261) 11.690 11.795 ( -8.552 0.000 8.370) 11.967 12.016 ( -7.749 0.000 -12.172) 14.430 12.066 ( -5.949 0.000 -2.433) 6.428 12.434 ( -18.055 0.000 -7.341) 19.491 13.068 ( -0.615 0.000 -21.101) 21.110 13.205 ( -8.743 0.000 6.852) 11.108 13.477 ( -3.568 0.000 -24.684) 24.941 13.483 ( 2.322 -0.000 -28.161) 28.257 13.669 ( -5.970 0.000 -11.794) 13.219 14.244 ( -16.174 0.000 -19.341) 25.212 15.027 ( -6.656 0.000 21.610) 22.612 15.102 ( -2.938 0.000 -0.978) 3.097 15.589 ( -13.027 0.000 12.570) 18.103 16.236 ( 6.445 -0.000 -25.987) 26.774 16.902 ( -1.543 0.000 17.778) 17.845 17.096 ( -1.911 0.000 19.128) 19.224 17.474 ( -2.710 0.000 31.844) 31.959 17.980 ( -2.829 0.000 -13.658) 13.948 18.109 ( 3.290 -0.000 -8.654) 9.258 18.225 ( 7.767 -0.000 -1.017) 7.833 19.352 ( 8.012 -0.000 6.917) 10.584 19.703 ( 14.003 -0.000 -10.794) 17.680 20.149 ( 0.734 -0.000 -23.254) 23.265 20.186 ( -2.123 0.000 -30.936) 31.009 20.696 ( 1.501 -0.000 -5.539) 5.739 20.820 ( 5.675 -0.000 -8.550) 10.262 21.047 ( 0.524 -0.000 -4.312) 4.344 21.174 ( -4.006 0.000 -10.661) 11.389 21.692 ( 5.257 -0.000 -2.436) 5.794 21.711 ( 8.097 -0.000 -0.975) 8.155 22.234 ( -2.413 0.000 4.807) 5.379 22.345 ( 0.133 -0.000 2.660) 2.664 22.556 ( -2.512 0.000 4.409) 5.075 22.754 ( -7.685 0.000 -4.974) 9.154 22.970 ( 1.786 -0.000 2.470) 3.048 23.068 ( -6.261 0.000 5.695) 8.464 23.130 ( -4.041 0.000 -0.915) 4.143 23.326 ( -3.803 0.000 -4.032) 5.543 23.369 ( 6.864 -0.000 4.457) 8.184 23.658 ( -3.369 0.000 -5.018) 6.044 23.861 ( 3.082 -0.000 9.971) 10.436 24.009 ( 5.069 -0.000 8.228) 9.665 24.149 ( 11.019 -0.000 9.877) 14.798 24.672 ( 10.892 -0.000 -3.675) 11.495 25.086 ( -7.147 0.000 8.061) 10.773 25.128 ( -14.857 0.000 14.553) 20.797 25.584 ( -21.108 0.000 -6.170) 21.991 25.846 ( -16.134 0.000 -1.668) 16.220 26.987 ( 11.281 -0.000 3.076) 11.693 27.073 ( 13.825 -0.000 -0.882) 13.853 27.861 ( -0.081 0.000 8.225) 8.226 27.992 ( 5.383 -0.000 2.339) 5.869 28.164 ( 6.401 -0.000 16.410) 17.614 28.439 ( -12.830 0.000 10.005) 16.270 28.984 ( -8.666 0.000 5.277) 10.146 29.203 ( 2.090 -0.000 8.052) 8.319 29.233 ( 0.259 -0.000 -7.000) 7.005 29.442 ( 6.124 -0.000 -0.545) 6.148 29.726 ( -5.178 0.000 22.223) 22.818 30.469 ( -24.539 0.000 -0.575) 24.546 32.382 ( 24.526 -0.000 -1.987) 24.607 32.643 ( 19.980 -0.000 -5.650) 20.763 32.963 ( -0.335 0.000 13.796) 13.800 33.717 ( 7.080 -0.000 -4.723) 8.511 33.895 ( -5.938 0.000 -7.021) 9.196 34.379 ( -11.980 0.000 -10.587) 15.988 105.459 ( 0.506 -0.000 4.923) 4.949 105.511 ( -0.979 0.000 3.302) 3.444 106.843 ( -0.152 0.000 -2.084) 2.090 106.882 ( 0.045 -0.000 -3.364) 3.364 ======================= Grid point 213 (70/96) ======================= q-point: ( 0.29 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( 20.461 -0.974 3.217) 20.735 4.150 ( 0.050 -5.917 13.007) 14.290 4.342 ( -13.057 -0.008 1.179) 13.110 4.442 ( -10.915 -1.500 -1.957) 11.190 4.643 ( -13.469 0.776 -1.857) 13.619 4.884 ( -14.215 1.047 -6.180) 15.536 5.201 ( 11.726 1.028 5.861) 13.150 5.572 ( 12.166 0.668 3.800) 12.763 5.951 ( -10.573 7.509 12.727) 18.170 6.120 ( -10.817 -1.284 7.114) 13.010 6.426 ( -11.539 4.483 12.531) 17.615 6.568 ( -11.855 -3.316 5.766) 13.593 7.387 ( 6.978 3.226 17.676) 19.276 7.543 ( 20.723 -4.327 29.562) 36.361 7.807 ( 3.547 6.121 7.608) 10.389 7.964 ( 7.473 -8.290 5.928) 12.638 8.124 ( 12.956 1.134 9.601) 16.166 8.373 ( -5.463 5.129 12.780) 14.814 8.497 ( -12.513 -4.690 13.523) 19.012 8.887 ( 1.959 7.652 1.184) 7.987 9.034 ( 14.346 -3.798 -4.831) 15.607 9.150 ( -18.745 -4.930 -2.679) 19.567 9.795 ( 9.570 5.355 8.902) 14.124 9.825 ( -7.481 -0.692 12.044) 14.195 10.022 ( 8.351 1.503 -0.835) 8.526 10.213 ( 6.757 0.107 -3.679) 7.694 10.521 ( 3.113 1.610 -2.007) 4.039 10.693 ( 6.753 -1.886 0.323) 7.018 10.802 ( 11.347 -8.253 -9.132) 16.741 11.126 ( -4.903 0.187 -5.756) 7.563 11.533 ( -11.792 2.506 4.005) 12.703 11.681 ( -10.345 1.803 0.290) 10.505 11.810 ( 8.799 2.547 -17.884) 20.093 11.912 ( 20.326 -5.857 -1.474) 21.205 12.154 ( 9.841 -5.097 -5.578) 12.408 12.299 ( -0.300 0.599 -8.675) 8.701 12.977 ( -5.717 3.867 -9.228) 11.524 13.080 ( -6.945 -4.792 -8.228) 11.786 13.387 ( -9.630 2.943 -12.134) 15.768 13.462 ( 2.769 3.329 -26.286) 26.640 13.721 ( 9.095 1.661 -26.142) 27.729 13.896 ( -23.502 -2.963 -21.018) 31.669 14.937 ( -2.753 -0.090 16.770) 16.995 15.054 ( -4.284 -0.012 3.738) 5.686 15.372 ( -10.725 3.317 10.855) 15.616 16.325 ( 4.315 0.381 -24.877) 25.251 16.872 ( -1.535 -1.528 8.638) 8.906 17.078 ( -0.898 -1.596 15.274) 15.383 17.402 ( -3.916 3.456 31.420) 31.851 17.771 ( -6.267 10.937 -16.922) 21.101 18.258 ( -1.156 -15.839 -0.324) 15.885 18.503 ( 19.927 0.227 3.787) 20.285 19.444 ( 1.738 -1.971 7.806) 8.236 19.834 ( 5.463 7.364 -8.287) 12.359 20.115 ( 0.418 3.868 -27.708) 27.979 20.242 ( 1.232 -8.117 -22.413) 23.869 20.717 ( 1.098 0.335 -6.191) 6.296 20.866 ( -0.256 -0.074 -8.363) 8.367 21.078 ( 2.521 1.881 -6.077) 6.843 21.133 ( -1.032 -3.409 -7.486) 8.290 21.772 ( 4.749 2.445 -4.667) 7.093 21.824 ( 4.112 -0.963 -6.076) 7.400 22.189 ( -2.421 -0.180 4.457) 5.075 22.350 ( 0.122 -0.472 3.246) 3.283 22.554 ( 2.394 2.324 4.528) 5.624 22.650 ( -5.018 -1.170 -3.353) 6.148 22.965 ( -3.573 0.658 1.804) 4.056 23.031 ( 1.809 1.877 -1.535) 3.026 23.077 ( -0.762 -3.072 -0.324) 3.182 23.260 ( -3.632 -0.276 -1.296) 3.866 23.473 ( 5.137 -1.423 3.810) 6.552 23.597 ( -2.865 0.264 -1.169) 3.106 23.824 ( -4.831 2.378 9.798) 11.180 23.983 ( -6.243 2.517 5.339) 8.591 24.374 ( 10.757 -0.921 12.315) 16.377 24.851 ( 7.747 -0.211 1.440) 7.883 24.918 ( -4.316 1.964 10.045) 11.108 25.000 ( -6.321 -3.278 4.521) 8.435 25.287 ( -11.231 2.034 -1.558) 11.520 25.673 ( -4.607 -2.100 -2.714) 5.744 27.120 ( 6.584 2.964 5.532) 9.096 27.315 ( 10.231 -5.531 -1.069) 11.679 27.815 ( -3.641 1.463 9.869) 10.620 28.050 ( 3.431 4.543 1.953) 6.019 28.230 ( 0.115 0.811 8.713) 8.751 28.314 ( -6.613 -7.073 9.400) 13.495 28.760 ( -7.421 5.750 2.108) 9.622 29.175 ( -3.519 0.812 -4.631) 5.873 29.293 ( 1.549 -1.867 13.192) 13.413 29.582 ( 6.263 -1.252 11.157) 12.856 29.715 ( 4.326 -0.905 14.566) 15.221 30.162 ( -11.230 -0.010 -1.124) 11.286 32.716 ( 10.211 1.608 -0.290) 10.341 32.893 ( 9.154 -3.131 3.765) 10.382 32.996 ( 9.799 0.263 11.465) 15.084 33.526 ( -19.865 2.349 -10.628) 22.651 34.056 ( 16.640 1.560 -12.509) 20.876 34.165 ( -14.817 -2.227 -10.263) 18.161 105.469 ( 0.704 -0.118 4.762) 4.815 105.495 ( -0.918 0.133 4.004) 4.110 106.840 ( -0.123 -0.030 -2.078) 2.082 106.884 ( 0.203 -0.022 -3.460) 3.466 ======================= Grid point 214 (71/96) ======================= q-point: (-0.57 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( -5.104 -0.288 3.025) 5.940 4.183 ( -4.812 -2.101 8.067) 9.626 4.349 ( 4.891 -6.363 1.200) 8.114 4.548 ( 16.052 -2.966 -2.318) 16.488 4.612 ( 7.828 -1.989 -1.066) 8.147 4.743 ( 2.772 -0.231 -3.875) 4.770 5.347 ( -4.271 12.248 12.554) 18.051 5.538 ( 12.861 4.853 11.493) 17.918 5.875 ( -6.186 2.538 5.657) 8.758 6.053 ( -0.570 -4.621 7.701) 8.999 6.313 ( 3.325 -0.514 9.915) 10.470 6.562 ( 8.580 -3.257 6.671) 11.346 7.319 ( -13.566 0.087 14.272) 19.691 7.647 ( -9.531 1.895 17.093) 19.662 7.783 ( -12.104 -0.568 14.355) 18.786 7.976 ( -6.410 -1.516 21.291) 22.287 8.161 ( 2.308 -2.937 2.424) 4.453 8.322 ( -5.704 3.754 5.596) 8.828 8.454 ( 0.817 0.216 9.687) 9.724 8.774 ( -2.336 -4.615 9.517) 10.831 8.954 ( -14.621 -6.038 -1.627) 15.902 9.333 ( 14.676 3.731 -9.395) 17.820 9.645 ( -4.962 0.493 7.342) 8.875 9.898 ( 5.925 3.531 3.414) 7.696 10.037 ( -4.972 1.285 5.806) 7.751 10.141 ( -17.458 -2.014 -5.521) 18.420 10.459 ( -2.733 -3.471 -2.399) 5.027 10.797 ( 0.032 2.946 1.617) 3.360 11.035 ( 0.643 -1.429 2.307) 2.788 11.168 ( 3.161 1.266 3.236) 4.698 11.449 ( 11.205 0.866 -0.756) 11.264 11.561 ( 16.153 0.026 -12.654) 20.520 11.996 ( -5.832 7.805 -10.349) 14.214 12.053 ( 10.752 2.015 -2.237) 11.166 12.274 ( -1.930 -0.937 -5.929) 6.305 12.408 ( 6.798 1.412 -12.552) 14.344 12.948 ( -0.286 0.770 -2.303) 2.445 13.043 ( 2.234 -2.932 -12.356) 12.894 13.230 ( -1.647 0.110 -16.344) 16.428 13.499 ( 4.827 1.815 -19.617) 20.284 13.575 ( -13.347 -2.741 -25.715) 29.101 13.935 ( 11.741 -2.828 -21.308) 24.492 14.938 ( -5.487 -0.833 7.835) 9.601 14.976 ( 1.128 -3.609 12.294) 12.863 15.221 ( -4.696 -0.677 10.021) 11.088 16.374 ( 3.873 3.004 -21.965) 22.506 16.896 ( 1.967 -1.901 3.392) 4.357 17.095 ( -0.110 -3.006 14.580) 14.887 17.305 ( -3.516 2.043 27.679) 27.976 17.616 ( -3.372 5.304 -17.025) 18.148 18.305 ( -9.227 -10.647 7.512) 15.966 18.780 ( 15.270 5.282 0.198) 16.159 19.461 ( -1.767 -3.368 6.036) 7.134 19.798 ( 3.159 11.716 -6.935) 13.976 20.093 ( -0.339 1.859 -27.824) 27.888 20.336 ( 1.969 -4.812 -18.966) 19.665 20.720 ( -0.686 0.249 -7.117) 7.154 20.840 ( -2.639 -0.919 -8.084) 8.553 21.054 ( -2.596 0.117 -6.133) 6.661 21.206 ( 4.815 -0.698 -6.798) 8.360 21.754 ( -4.631 2.192 -4.789) 7.014 21.821 ( -6.145 -0.627 -5.563) 8.313 22.180 ( 0.457 -1.068 3.218) 3.421 22.337 ( -1.573 0.175 1.365) 2.090 22.568 ( 1.654 2.563 3.265) 4.469 22.653 ( 4.849 -0.767 2.897) 5.700 22.945 ( -0.857 -0.097 -1.484) 1.717 22.965 ( -3.879 -1.438 -1.604) 4.438 23.165 ( 4.226 0.875 -1.233) 4.489 23.235 ( 1.268 -1.611 -0.067) 2.052 23.545 ( -0.720 -1.124 3.378) 3.632 23.598 ( 4.120 -2.560 2.793) 5.597 23.683 ( -9.031 2.961 5.906) 11.189 23.846 ( -6.423 -3.048 2.394) 7.501 24.429 ( -2.635 0.996 9.916) 10.308 24.833 ( -5.253 0.080 -0.260) 5.260 24.930 ( -0.148 1.370 3.736) 3.982 25.040 ( 6.614 -2.890 7.510) 10.416 25.227 ( 7.639 0.805 6.415) 10.008 25.768 ( 14.231 1.256 -0.621) 14.300 27.107 ( -6.165 2.024 10.143) 12.041 27.448 ( 2.021 0.321 0.128) 2.050 27.775 ( -1.952 -3.467 7.688) 8.656 27.984 ( -5.824 6.832 1.342) 9.077 28.233 ( -0.771 -1.654 3.569) 4.009 28.277 ( -0.940 -8.458 0.286) 8.515 28.720 ( 5.517 6.086 10.476) 13.312 29.134 ( -1.278 -1.944 2.001) 3.069 29.277 ( -4.603 -2.072 14.916) 15.747 29.592 ( -4.790 -0.300 16.117) 16.817 29.863 ( 13.387 4.167 6.267) 15.357 30.158 ( 10.125 -0.277 -3.966) 10.877 32.664 ( -11.918 -0.438 1.081) 11.975 32.954 ( -4.318 -1.013 12.337) 13.110 33.102 ( -14.586 5.505 -6.520) 16.899 33.358 ( 15.669 -4.796 -1.628) 16.468 33.945 ( -14.002 -2.788 -8.263) 16.496 34.301 ( 14.806 2.922 -14.829) 21.158 105.478 ( -0.461 0.236 4.584) 4.613 105.485 ( 0.612 -0.237 4.436) 4.484 106.840 ( -0.051 -0.088 -2.096) 2.098 106.888 ( 0.311 0.142 -3.588) 3.605 ======================= Grid point 215 (72/96) ======================= q-point: (-0.43 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( -6.516 7.037 16.341) 18.947 4.365 ( 17.332 -6.868 7.382) 20.052 4.497 ( -7.799 9.020 18.545) 22.048 4.624 ( 15.955 -4.842 1.227) 16.719 4.852 ( 15.552 -6.881 1.835) 17.105 5.063 ( 21.403 -1.060 -7.433) 22.682 5.240 ( 10.745 6.724 -3.214) 13.076 5.579 ( -4.535 10.560 2.121) 11.687 5.890 ( 8.142 -7.839 17.787) 21.074 6.134 ( 4.003 -6.819 7.668) 11.015 6.399 ( -4.028 -9.797 8.227) 13.412 6.738 ( -4.770 1.679 7.590) 9.121 7.051 ( -5.756 -2.799 12.368) 13.926 7.332 ( -12.551 -0.804 5.689) 13.804 7.635 ( -6.099 0.045 9.784) 11.529 7.915 ( -19.513 5.155 8.990) 22.094 8.008 ( -6.079 -8.000 9.707) 13.971 8.284 ( 2.585 3.466 12.129) 12.877 8.418 ( -14.081 -10.927 3.853) 18.235 8.699 ( -10.036 0.159 7.060) 12.271 8.845 ( -0.892 -2.095 5.988) 6.406 9.369 ( -11.583 -0.293 -2.506) 11.855 9.549 ( -6.057 1.733 2.929) 6.948 9.861 ( -5.356 3.224 2.122) 6.602 9.955 ( -5.434 3.081 2.462) 6.714 10.053 ( 4.388 -3.294 -0.462) 5.506 10.421 ( -1.459 2.179 2.637) 3.720 10.562 ( -14.462 -1.752 -1.613) 14.657 10.992 ( 2.542 10.013 1.358) 10.419 11.380 ( 12.372 0.053 -7.119) 14.274 11.634 ( 2.067 7.586 -0.675) 7.892 11.767 ( -1.943 8.029 -13.649) 15.954 11.899 ( 9.623 2.968 -7.823) 12.751 12.035 ( 3.586 9.264 1.035) 9.988 12.299 ( 9.247 -4.091 -13.832) 17.134 12.366 ( 0.686 10.269 -9.138) 13.764 12.952 ( -0.049 -4.848 -2.965) 5.683 13.089 ( -2.601 -5.832 -11.697) 13.326 13.397 ( 4.372 -2.470 -19.892) 20.516 13.431 ( 1.280 -3.766 -15.727) 16.222 13.652 ( 13.875 2.016 -16.554) 21.694 14.149 ( 8.023 -5.824 -18.106) 20.643 14.817 ( -8.931 -5.136 15.084) 18.267 15.076 ( 2.468 -2.740 3.711) 5.232 15.306 ( 9.112 -11.955 9.835) 17.964 16.395 ( 3.881 7.016 -18.821) 20.457 16.926 ( -0.796 0.387 11.097) 11.132 17.121 ( 0.205 -2.042 15.056) 15.196 17.286 ( 1.032 -3.241 20.480) 20.761 17.568 ( -0.200 -2.410 -16.988) 17.159 18.168 ( -14.208 -3.973 10.174) 17.921 18.870 ( 7.439 14.951 -6.711) 17.997 19.468 ( -1.320 -2.651 4.450) 5.345 19.732 ( 1.378 11.833 -7.740) 14.207 20.065 ( -1.064 0.882 -28.396) 28.429 20.384 ( 1.506 1.043 -18.717) 18.806 20.685 ( -2.870 0.331 -6.407) 7.028 20.793 ( -5.605 -2.011 -8.786) 10.614 21.024 ( 0.048 0.229 -4.350) 4.356 21.272 ( 3.612 1.436 -8.747) 9.571 21.597 ( -12.382 -2.193 -2.274) 12.779 21.695 ( -7.982 -0.510 -1.747) 8.186 22.196 ( -0.075 -0.831 3.522) 3.619 22.314 ( -1.165 -1.131 1.754) 2.390 22.596 ( 4.212 1.996 3.198) 5.652 22.740 ( 2.298 -1.813 0.636) 2.995 22.906 ( -1.654 -3.636 2.262) 4.590 22.994 ( 2.949 -0.143 -1.924) 3.524 23.157 ( -0.993 0.281 3.327) 3.483 23.325 ( 3.846 0.368 -4.782) 6.148 23.445 ( -6.217 1.712 3.344) 7.264 23.641 ( 4.125 -1.449 -1.051) 4.496 23.716 ( 4.245 -4.301 3.981) 7.237 23.817 ( -3.792 -4.843 2.699) 6.717 24.319 ( -7.114 4.197 10.787) 13.586 24.712 ( -8.165 1.180 -3.122) 8.820 24.935 ( 2.112 -1.331 4.052) 4.760 25.182 ( 6.108 -8.115 3.699) 10.810 25.485 ( 22.796 5.099 11.350) 25.971 26.035 ( 19.209 3.630 1.973) 19.648 26.921 ( -12.390 1.367 10.689) 16.421 27.340 ( -11.374 6.089 -0.451) 12.909 27.768 ( -4.524 -4.111 7.821) 9.927 27.888 ( 1.767 -0.048 3.408) 3.840 28.191 ( -4.286 1.986 1.641) 5.001 28.458 ( 8.080 -11.522 -4.185) 14.682 28.762 ( 5.580 3.034 12.654) 14.158 29.110 ( -5.184 -0.225 11.396) 12.522 29.220 ( -4.315 -1.003 9.281) 10.285 29.553 ( 1.685 -1.634 17.826) 17.980 30.009 ( 12.419 11.362 -1.784) 16.926 30.443 ( 22.134 -1.702 -3.471) 22.469 32.374 ( -22.563 -0.170 -2.568) 22.709 32.637 ( -25.218 -0.301 -5.519) 25.817 33.001 ( -0.819 1.354 9.251) 9.386 33.609 ( 1.903 -3.945 2.609) 5.098 33.819 ( 1.223 -2.414 -4.941) 5.633 34.481 ( 10.696 3.346 -13.505) 17.550 105.467 ( -0.430 0.344 4.881) 4.912 105.501 ( 0.815 -0.389 3.961) 4.062 106.840 ( 0.009 -0.127 -2.118) 2.122 106.891 ( 0.309 0.356 -3.667) 3.697 ======================= Grid point 216 (73/96) ======================= q-point: (-0.29 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 1.232 12.111 32.148) 34.376 4.188 ( -8.790 15.383 30.075) 34.906 4.814 ( 22.066 -6.169 2.011) 23.001 4.931 ( 13.333 -1.964 3.139) 13.837 5.144 ( 8.819 -2.013 0.765) 9.078 5.285 ( 3.862 3.283 -0.134) 5.071 5.369 ( 12.675 -0.481 -2.483) 12.925 5.624 ( 16.570 4.070 -3.967) 17.518 5.976 ( -9.591 -9.873 14.455) 19.960 6.208 ( -5.917 -6.714 6.829) 11.257 6.313 ( -13.657 -15.618 13.217) 24.599 6.645 ( 5.408 -9.426 12.937) 16.896 7.130 ( -3.796 -4.100 -5.682) 7.969 7.355 ( 0.402 -4.646 -0.175) 4.667 7.466 ( -13.649 -3.025 -0.926) 14.011 7.658 ( 11.013 5.661 8.498) 15.019 8.038 ( -0.253 -2.617 13.231) 13.490 8.144 ( -20.351 -8.836 1.897) 22.267 8.331 ( 0.929 -0.590 9.567) 9.630 8.638 ( -1.852 0.497 15.552) 15.670 8.848 ( -1.853 -3.565 5.317) 6.664 9.043 ( -21.302 -2.552 3.154) 21.685 9.359 ( -18.281 14.115 15.636) 27.891 9.687 ( -0.580 0.164 2.593) 2.662 9.869 ( -7.379 0.257 -0.378) 7.393 10.070 ( 2.529 5.035 -2.368) 6.112 10.501 ( 8.911 -3.398 -4.515) 10.552 10.575 ( 6.622 -2.636 -3.588) 7.980 10.791 ( -11.032 10.877 -4.009) 16.003 11.304 ( -16.069 15.610 -14.716) 26.804 11.426 ( -1.302 14.692 -12.947) 19.626 11.740 ( 8.574 1.292 3.818) 9.475 11.924 ( -2.196 16.973 -12.594) 21.249 12.144 ( 10.649 -0.438 3.676) 11.275 12.330 ( 7.978 6.109 -4.538) 11.026 12.648 ( 17.973 -7.289 -12.116) 22.868 12.942 ( -5.863 -5.424 -21.500) 22.936 13.144 ( -1.166 -8.740 -1.180) 8.896 13.352 ( -3.838 -4.912 -22.066) 22.930 13.597 ( 8.270 2.434 -10.533) 13.611 13.864 ( 11.681 2.476 -10.927) 16.186 14.266 ( -1.263 -7.397 -14.282) 16.134 14.804 ( -2.950 -14.478 23.440) 27.708 15.138 ( 1.832 -3.995 -2.093) 4.868 15.636 ( 12.329 -15.047 2.309) 19.590 16.341 ( 1.014 14.391 -9.220) 17.121 16.863 ( -5.277 0.194 15.754) 16.616 17.135 ( -0.437 -1.817 18.220) 18.315 17.362 ( 1.700 -4.696 15.495) 16.281 17.663 ( 4.814 -8.174 -8.467) 12.715 17.992 ( -9.401 -3.910 3.573) 10.791 18.786 ( 3.547 18.813 -13.229) 23.271 19.420 ( -2.418 8.024 2.508) 8.747 19.580 ( -5.412 13.293 -10.981) 18.071 20.072 ( 1.569 -1.869 -28.426) 28.531 20.366 ( 0.615 5.555 -22.548) 23.230 20.642 ( -2.545 -1.497 -4.619) 5.483 20.700 ( -6.272 -1.313 -6.819) 9.357 21.047 ( 1.736 -0.225 -4.911) 5.213 21.301 ( 2.531 3.163 -11.059) 11.778 21.465 ( -8.001 -7.253 2.349) 11.052 21.594 ( -5.268 -1.957 -0.089) 5.620 22.205 ( 0.113 -1.892 4.718) 5.085 22.319 ( -0.511 -1.883 1.629) 2.542 22.658 ( 5.222 0.553 2.857) 5.978 22.786 ( 1.297 -4.409 2.284) 5.132 22.947 ( 0.527 -5.364 5.585) 7.762 23.047 ( 0.070 -4.192 -2.109) 4.693 23.163 ( -0.171 -0.246 4.510) 4.520 23.280 ( -0.807 2.332 1.881) 3.102 23.444 ( 3.452 3.810 -4.425) 6.783 23.698 ( -0.259 0.947 -3.622) 3.753 23.752 ( -2.528 -0.757 2.793) 3.843 23.842 ( 2.291 -4.030 0.798) 4.704 24.147 ( -6.528 6.278 10.395) 13.787 24.578 ( -5.322 2.081 -5.301) 7.795 25.023 ( 3.818 -5.673 8.370) 10.808 25.372 ( 5.944 -8.041 7.482) 12.489 25.803 ( 19.022 2.974 6.619) 20.359 26.288 ( 15.683 4.789 3.100) 16.688 26.723 ( -10.723 -0.501 8.141) 13.472 27.052 ( -12.970 7.827 -1.128) 15.190 27.728 ( -4.117 -3.765 7.701) 9.509 27.966 ( 4.187 -1.232 5.569) 7.076 28.081 ( -4.737 3.190 2.014) 6.055 28.681 ( 7.589 -6.474 4.476) 10.934 28.860 ( 1.650 -8.869 5.790) 10.720 29.008 ( -2.353 4.017 13.158) 13.958 29.129 ( -6.514 -0.152 5.750) 8.691 29.654 ( 5.802 -1.969 20.034) 20.950 30.046 ( 7.912 16.494 -6.426) 19.390 30.886 ( 27.847 -3.504 -8.793) 29.412 32.017 ( -18.481 -0.432 -3.280) 18.774 32.206 ( -28.053 -1.175 -9.308) 29.580 32.976 ( -0.862 0.725 13.080) 13.128 33.542 ( -6.006 -0.598 6.264) 8.699 33.969 ( 7.015 -3.721 -3.145) 8.541 34.587 ( 5.796 2.929 -11.775) 13.447 105.458 ( -0.224 0.367 5.027) 5.045 105.517 ( 0.563 -0.480 3.293) 3.375 106.842 ( 0.032 -0.158 -2.130) 2.136 106.891 ( 0.181 0.504 -3.647) 3.686 ======================= Grid point 217 (74/96) ======================= q-point: (-0.14 0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 0.000 11.021 42.297) 43.709 3.981 ( 0.000 11.928 32.181) 34.320 4.916 ( 0.000 7.742 -0.207) 7.744 5.080 ( -0.000 -3.254 3.054) 4.463 5.243 ( 0.000 2.892 -1.354) 3.193 5.366 ( -0.000 -0.195 3.899) 3.904 5.532 ( -0.000 -7.804 -4.351) 8.935 5.709 ( 0.000 0.935 -2.489) 2.659 5.929 ( -0.000 -3.811 5.396) 6.606 6.293 ( 0.000 6.546 -4.600) 8.000 6.326 ( -0.000 -29.520 25.193) 38.808 6.881 ( -0.000 -8.197 0.139) 8.198 6.920 ( -0.000 -10.374 13.135) 16.738 7.413 ( -0.000 -3.136 4.495) 5.480 7.587 ( -0.000 -6.584 -1.623) 6.781 7.834 ( -0.000 -6.938 -2.505) 7.376 7.892 ( -0.000 -0.309 5.105) 5.114 8.115 ( 0.000 0.614 7.946) 7.970 8.313 ( 0.000 5.967 7.095) 9.270 8.586 ( -0.000 -2.644 20.982) 21.148 8.833 ( 0.000 0.837 23.796) 23.811 8.836 ( 0.000 5.663 -5.922) 8.194 9.087 ( 0.000 0.605 9.623) 9.642 9.715 ( -0.000 -1.112 6.046) 6.148 9.733 ( 0.000 6.832 -7.330) 10.021 10.081 ( 0.000 3.657 4.315) 5.656 10.563 ( 0.000 5.288 -8.991) 10.431 10.631 ( -0.000 -4.287 -4.230) 6.022 10.726 ( -0.000 -3.974 -5.817) 7.045 10.978 ( 0.000 15.770 -10.739) 19.080 11.278 ( 0.000 11.369 -14.155) 18.156 11.615 ( 0.000 26.668 -11.679) 29.113 11.909 ( -0.000 -7.323 3.303) 8.034 12.232 ( 0.000 1.328 -2.140) 2.519 12.372 ( 0.000 4.490 1.283) 4.670 12.892 ( -0.000 -2.319 -6.245) 6.662 12.916 ( -0.000 -7.307 -31.849) 32.676 13.192 ( -0.000 -6.281 -15.846) 17.046 13.379 ( -0.000 -5.607 -7.425) 9.304 13.642 ( 0.000 2.114 -13.013) 13.183 13.929 ( 0.000 4.301 -8.322) 9.368 14.309 ( -0.000 -6.628 -12.475) 14.127 14.961 ( -0.000 -19.352 28.692) 34.608 15.194 ( -0.000 -3.367 -6.293) 7.137 15.905 ( -0.000 -14.490 -12.624) 19.217 16.162 ( 0.000 20.353 7.481) 21.685 16.809 ( -0.000 -0.977 17.924) 17.951 17.144 ( -0.000 -0.232 19.526) 19.527 17.425 ( -0.000 -7.616 20.597) 21.960 17.778 ( -0.000 -3.058 1.398) 3.362 17.984 ( -0.000 -9.802 -9.479) 13.636 18.660 ( 0.000 15.998 -17.301) 23.564 19.262 ( 0.000 16.430 5.673) 17.381 19.398 ( 0.000 9.176 -16.921) 19.249 20.112 ( -0.000 -2.246 -27.448) 27.540 20.320 ( 0.000 5.228 -28.143) 28.625 20.632 ( -0.000 -2.045 -4.285) 4.748 20.658 ( -0.000 -0.803 -4.813) 4.879 21.063 ( 0.000 0.027 -4.991) 4.991 21.290 ( 0.000 3.645 -12.502) 13.022 21.472 ( -0.000 -7.014 3.954) 8.051 21.570 ( -0.000 -2.067 0.830) 2.227 22.230 ( -0.000 -2.644 4.708) 5.399 22.328 ( -0.000 -1.179 1.712) 2.079 22.730 ( -0.000 -1.439 2.336) 2.744 22.865 ( -0.000 -7.685 7.968) 11.070 23.018 ( -0.000 -6.011 9.359) 11.123 23.054 ( -0.000 -4.182 -4.036) 5.812 23.152 ( 0.000 0.273 1.769) 1.790 23.275 ( 0.000 6.735 5.550) 8.727 23.423 ( 0.000 2.235 -4.337) 4.878 23.656 ( 0.000 1.406 -4.699) 4.905 23.720 ( 0.000 2.964 1.987) 3.569 23.893 ( -0.000 -1.858 -2.969) 3.503 24.034 ( 0.000 4.475 10.123) 11.068 24.516 ( 0.000 1.703 -6.506) 6.725 25.129 ( -0.000 -8.052 11.665) 14.174 25.474 ( -0.000 -1.077 12.581) 12.627 25.987 ( -0.000 -4.941 0.790) 5.004 26.400 ( 0.000 7.751 2.141) 8.042 26.615 ( -0.000 -2.884 4.614) 5.441 26.852 ( 0.000 7.969 -1.080) 8.042 27.724 ( -0.000 -3.698 6.471) 7.453 27.966 ( 0.000 6.067 -0.034) 6.068 28.053 ( -0.000 -3.765 13.940) 14.439 28.808 ( 0.000 2.349 9.706) 9.986 28.868 ( -0.000 -3.334 16.274) 16.612 29.051 ( -0.000 -1.305 9.022) 9.116 29.075 ( -0.000 -12.089 -8.483) 14.768 29.705 ( 0.000 4.542 13.161) 13.923 29.962 ( 0.000 13.526 0.491) 13.535 31.270 ( -0.000 -4.990 -18.714) 19.368 31.830 ( -0.000 -1.214 -2.741) 2.997 31.894 ( 0.000 1.530 -4.241) 4.509 32.964 ( 0.000 0.346 14.250) 14.254 33.489 ( 0.000 0.231 8.880) 8.883 34.061 ( -0.000 -3.161 -3.844) 4.977 34.611 ( 0.000 2.311 -10.882) 11.125 105.453 ( 0.000 0.295 5.060) 5.068 105.527 ( -0.000 -0.426 2.758) 2.791 106.844 ( -0.000 -0.163 -2.128) 2.134 106.887 ( 0.000 0.485 -3.527) 3.560 ======================= Grid point 220 (75/96) ======================= q-point: ( 0.29 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( -5.702 0.000 2.657) 6.291 4.136 ( -0.022 0.000 13.316) 13.316 4.285 ( -1.220 0.000 2.007) 2.349 4.508 ( 20.047 -0.000 -3.968) 20.436 4.604 ( 6.191 -0.000 -3.704) 7.215 4.729 ( 0.678 -0.000 -2.910) 2.988 5.460 ( 14.483 -0.000 12.470) 19.111 5.669 ( -3.884 0.000 5.400) 6.652 5.880 ( -0.952 0.000 10.576) 10.618 5.987 ( -3.427 0.000 6.830) 7.642 6.319 ( -11.946 0.000 7.866) 14.303 6.517 ( 17.773 -0.000 9.329) 20.072 7.324 ( -14.911 0.000 12.887) 19.708 7.650 ( -2.733 0.000 27.583) 27.718 7.846 ( -5.017 0.000 9.151) 10.436 7.882 ( -27.210 0.000 6.313) 27.933 8.153 ( 9.123 -0.000 10.304) 13.762 8.317 ( -10.452 0.000 10.574) 14.868 8.560 ( 17.477 -0.000 8.018) 19.229 8.664 ( -19.163 0.000 10.330) 21.770 8.885 ( -10.301 0.000 -1.707) 10.441 9.369 ( 16.381 -0.000 -13.458) 21.200 9.661 ( -5.241 0.000 11.346) 12.498 9.953 ( 2.629 -0.000 4.040) 4.821 10.044 ( -4.755 0.000 2.910) 5.574 10.120 ( -18.736 0.000 -7.525) 20.191 10.401 ( -6.131 0.000 -5.490) 8.230 10.839 ( 4.866 -0.000 7.194) 8.685 11.004 ( 15.466 -0.000 2.284) 15.634 11.184 ( -5.444 0.000 8.174) 9.821 11.460 ( 8.447 -0.000 3.708) 9.225 11.568 ( 14.420 -0.000 -20.379) 24.965 12.059 ( 10.119 -0.000 -17.290) 20.033 12.115 ( 5.807 -0.000 3.225) 6.643 12.250 ( -4.558 0.000 -4.386) 6.326 12.398 ( 13.146 -0.000 -12.963) 18.462 12.971 ( -1.217 0.000 -7.488) 7.587 12.985 ( 4.479 -0.000 -11.494) 12.336 13.316 ( -1.363 0.000 -13.606) 13.674 13.401 ( -18.251 0.000 -19.625) 26.800 13.615 ( 2.882 -0.000 -25.452) 25.614 13.890 ( 8.725 -0.000 -19.824) 21.660 14.923 ( 3.109 -0.000 12.994) 13.361 14.941 ( -9.789 0.000 8.120) 12.719 15.221 ( -9.036 0.000 9.675) 13.238 16.410 ( 5.523 -0.000 -27.436) 27.987 16.871 ( 2.543 -0.000 3.421) 4.263 17.060 ( -0.451 0.000 10.512) 10.522 17.330 ( -6.044 0.000 32.737) 33.291 17.708 ( -6.308 0.000 -13.427) 14.835 18.161 ( -3.696 0.000 7.216) 8.107 18.823 ( 17.769 -0.000 0.618) 17.780 19.433 ( -1.454 0.000 4.814) 5.028 19.931 ( 1.745 -0.000 -14.255) 14.361 20.183 ( 1.921 -0.000 -26.064) 26.135 20.203 ( 2.870 -0.000 -14.517) 14.798 20.724 ( -0.652 0.000 -7.022) 7.052 20.830 ( -3.536 0.000 -7.152) 7.979 21.058 ( -2.205 0.000 -5.858) 6.259 21.193 ( 5.897 -0.000 -5.590) 8.125 21.781 ( -8.647 0.000 -7.231) 11.272 21.814 ( -3.014 0.000 -3.835) 4.878 22.168 ( 0.527 -0.000 3.423) 3.463 22.342 ( -1.318 0.000 1.784) 2.218 22.603 ( 1.424 -0.000 1.247) 1.893 22.638 ( 3.825 -0.000 4.892) 6.210 22.934 ( -7.675 0.000 -1.481) 7.817 22.961 ( 3.466 -0.000 -1.724) 3.871 23.175 ( 6.940 -0.000 -2.156) 7.267 23.213 ( -1.468 0.000 0.302) 1.499 23.524 ( 1.822 -0.000 5.769) 6.050 23.568 ( -2.202 0.000 2.543) 3.364 23.744 ( -2.991 0.000 4.030) 5.019 23.801 ( -13.518 0.000 1.481) 13.599 24.438 ( -1.685 0.000 9.269) 9.421 24.837 ( -5.863 0.000 -1.964) 6.183 24.954 ( -0.450 0.000 1.553) 1.617 24.993 ( 4.426 -0.000 9.239) 10.244 25.239 ( 10.632 -0.000 9.515) 14.267 25.778 ( 15.602 -0.000 -0.093) 15.602 27.136 ( -6.372 0.000 10.027) 11.880 27.436 ( 5.893 -0.000 -2.083) 6.251 27.754 ( -4.365 0.000 10.619) 11.481 28.115 ( 3.711 -0.000 -3.764) 5.286 28.117 ( -13.873 0.000 4.303) 14.525 28.222 ( 0.627 -0.000 6.041) 6.073 28.796 ( 6.331 -0.000 9.815) 11.680 29.098 ( -4.702 0.000 -5.802) 7.468 29.259 ( -2.850 0.000 22.080) 22.264 29.590 ( -4.435 0.000 15.157) 15.792 29.905 ( 16.410 -0.000 7.742) 18.145 30.155 ( 9.495 -0.000 -5.677) 11.063 32.661 ( -12.690 0.000 0.732) 12.711 32.943 ( -2.842 0.000 12.866) 13.176 33.170 ( -21.475 0.000 -15.011) 26.201 33.297 ( 20.231 -0.000 6.566) 21.270 33.916 ( -13.071 0.000 -7.161) 14.904 34.330 ( 14.704 -0.000 -15.699) 21.509 105.482 ( 0.803 -0.000 4.581) 4.651 105.482 ( -0.664 0.000 4.489) 4.538 106.839 ( -0.072 0.000 -2.044) 2.046 106.889 ( 0.414 -0.000 -3.655) 3.678 ======================= Grid point 221 (76/96) ======================= q-point: (-0.57 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( 2.528 6.851 12.853) 14.783 4.216 ( 10.975 -7.683 10.855) 17.243 4.471 ( 16.725 -5.271 9.392) 19.893 4.621 ( 2.132 1.087 10.300) 10.574 4.768 ( 11.084 -1.565 2.088) 11.387 5.040 ( 23.798 -0.993 -6.315) 24.642 5.471 ( 2.544 14.638 2.256) 15.027 5.678 ( 0.983 -4.507 7.237) 8.582 5.876 ( 1.991 7.225 8.251) 11.146 6.012 ( 3.040 -5.460 8.125) 10.250 6.215 ( -5.381 -8.304 6.236) 11.696 6.813 ( 0.171 5.669 6.075) 8.311 6.980 ( -15.730 -4.899 12.513) 20.688 7.285 ( -26.470 -2.659 9.686) 28.312 7.672 ( 1.058 3.747 9.001) 9.807 7.801 ( -2.213 -8.896 8.738) 12.665 8.035 ( -20.725 5.601 3.403) 21.737 8.208 ( -15.895 -8.136 3.999) 18.299 8.465 ( 0.762 10.159 12.136) 15.845 8.640 ( -4.843 -6.051 4.602) 9.014 8.812 ( -1.250 -1.424 13.672) 13.802 9.335 ( -22.393 -1.781 -5.354) 23.093 9.644 ( 3.728 5.348 4.783) 8.086 9.883 ( -0.293 -0.038 -3.468) 3.480 9.965 ( -2.395 -2.188 -1.537) 3.590 10.052 ( 2.809 2.940 -1.003) 4.188 10.366 ( -0.766 -5.322 -1.164) 5.501 10.591 ( -22.278 2.975 11.495) 25.245 11.165 ( 9.040 6.971 0.618) 11.433 11.339 ( 15.545 -3.451 2.622) 16.138 11.719 ( 16.616 1.659 5.892) 17.708 11.913 ( 14.344 3.232 -20.919) 25.570 11.965 ( -3.818 6.606 -20.162) 21.557 12.182 ( 2.866 -3.461 -8.684) 9.778 12.242 ( 2.750 7.662 1.651) 8.306 12.476 ( 0.155 -2.099 -12.498) 12.674 12.912 ( -5.497 2.198 -2.490) 6.423 12.990 ( -6.447 -4.676 -11.923) 14.338 13.349 ( -0.314 -0.829 -20.329) 20.348 13.393 ( 17.771 -1.235 -11.446) 21.174 13.705 ( 8.616 2.851 -19.336) 21.360 14.025 ( 4.759 -5.726 -13.444) 15.368 14.747 ( -14.063 -2.138 14.159) 20.071 15.044 ( 5.899 -0.033 6.140) 8.515 15.125 ( -0.409 -6.266 9.755) 11.601 16.502 ( 7.496 3.440 -26.983) 28.215 16.925 ( 1.626 -0.172 4.939) 5.203 17.059 ( -1.339 -2.805 5.722) 6.512 17.260 ( -0.533 -0.454 26.572) 26.581 17.601 ( -3.912 3.475 -8.573) 10.044 18.075 ( -10.243 -4.388 14.582) 18.352 19.051 ( 11.450 4.470 -6.096) 13.720 19.423 ( 0.565 -1.130 0.360) 1.313 19.923 ( 1.010 4.824 -19.117) 19.742 20.150 ( 2.294 8.875 -18.933) 21.035 20.327 ( 3.743 -6.842 -14.656) 16.602 20.692 ( -3.065 0.215 -7.046) 7.687 20.761 ( -5.553 -0.998 -6.692) 8.753 21.037 ( 0.219 0.800 -3.876) 3.964 21.277 ( 3.849 -0.286 -6.531) 7.587 21.560 ( -16.956 -1.377 -2.361) 17.175 21.699 ( -9.280 0.309 -1.524) 9.409 22.184 ( 0.449 -0.322 3.007) 3.058 22.305 ( -2.465 0.002 0.036) 2.466 22.643 ( 3.802 2.839 3.666) 5.996 22.699 ( 1.984 -2.397 2.821) 4.199 22.836 ( -4.333 -2.767 0.212) 5.146 23.000 ( -1.388 0.336 -1.052) 1.774 23.187 ( 0.109 2.545 2.031) 3.258 23.309 ( 7.448 -2.171 -4.612) 9.025 23.454 ( -7.814 -0.230 3.141) 8.425 23.586 ( 4.889 -2.465 2.056) 5.849 23.692 ( 1.568 0.626 1.242) 2.097 23.766 ( 1.667 -1.252 -0.656) 2.186 24.370 ( -5.437 1.278 9.927) 11.391 24.729 ( -6.759 0.548 -4.221) 7.987 24.938 ( 0.298 1.305 2.428) 2.773 25.044 ( 1.945 -5.346 2.379) 6.167 25.564 ( 24.414 2.387 17.622) 30.204 26.077 ( 19.187 1.013 3.407) 19.514 26.956 ( -12.894 1.505 12.944) 18.332 27.414 ( -9.248 1.696 -0.549) 9.419 27.704 ( -2.978 -1.956 9.558) 10.201 27.924 ( -3.780 2.496 1.083) 4.658 28.215 ( -1.981 0.342 2.258) 3.023 28.262 ( 8.551 -6.753 -7.047) 12.976 28.848 ( 1.686 4.610 12.402) 13.338 29.048 ( -4.884 -4.590 2.231) 7.064 29.246 ( 2.230 2.009 23.077) 23.271 29.520 ( -2.416 -1.320 15.625) 15.865 30.180 ( 18.397 5.826 -1.048) 19.325 30.402 ( 18.642 -2.149 -7.016) 20.034 32.373 ( -21.632 -0.007 -3.119) 21.856 32.632 ( -27.911 -0.163 -5.536) 28.455 33.020 ( -1.947 0.543 6.455) 6.764 33.553 ( 5.759 -1.659 6.883) 9.127 33.786 ( 0.051 -0.965 -3.982) 4.097 34.527 ( 10.081 1.339 -14.661) 17.843 105.473 ( -0.379 0.189 4.822) 4.840 105.495 ( 0.730 -0.200 4.319) 4.385 106.838 ( -0.006 -0.067 -2.053) 2.054 106.896 ( 0.434 0.157 -3.866) 3.893 ======================= Grid point 222 (77/96) ======================= q-point: (-0.43 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.078 ( 9.773 15.439 26.736) 32.384 4.451 ( -2.984 9.023 23.570) 25.414 4.677 ( 22.822 -6.542 12.956) 27.046 4.849 ( 14.927 -6.050 7.213) 17.647 5.019 ( 16.003 -9.197 9.812) 20.904 5.295 ( 3.674 -1.528 -3.691) 5.428 5.456 ( 3.208 7.607 1.771) 8.443 5.661 ( -4.385 -1.622 8.888) 10.043 5.881 ( 2.335 2.674 7.537) 8.331 6.051 ( -20.880 -6.781 7.771) 23.288 6.193 ( 7.692 -1.972 1.348) 8.054 6.500 ( -4.631 -2.891 11.695) 12.906 6.961 ( -0.454 -15.170 -3.738) 15.630 7.237 ( 2.694 -5.812 -6.359) 9.026 7.452 ( -37.331 3.715 -6.017) 37.995 7.740 ( -3.150 0.076 3.984) 5.079 7.907 ( -9.947 -7.819 0.340) 12.657 7.986 ( 6.738 -5.164 3.854) 9.323 8.452 ( 6.738 10.054 15.236) 19.458 8.623 ( -5.667 -1.625 22.180) 22.950 8.789 ( -1.827 -2.258 10.086) 10.496 8.995 ( -16.469 -3.801 4.029) 17.376 9.613 ( -10.013 10.933 11.778) 18.934 9.734 ( -4.766 3.800 2.427) 6.560 9.861 ( -7.960 1.341 2.914) 8.582 10.139 ( 5.607 0.850 -6.305) 8.480 10.408 ( 1.831 -5.131 -4.241) 6.904 10.488 ( 5.647 -5.183 -2.300) 8.003 11.066 ( -7.908 14.624 -4.452) 17.211 11.535 ( 3.358 6.026 -14.108) 15.704 11.704 ( -1.038 7.938 -5.575) 9.755 11.809 ( -3.739 15.738 -1.899) 16.287 12.096 ( 12.388 -0.666 -6.087) 13.819 12.222 ( 4.172 5.472 -8.751) 11.132 12.420 ( 8.568 -1.908 -12.787) 15.510 12.554 ( 13.747 1.485 -6.983) 15.490 12.841 ( -5.770 -4.945 -7.101) 10.400 12.958 ( -3.918 -8.895 -2.302) 9.989 13.294 ( -4.998 0.947 -21.389) 21.985 13.656 ( 11.811 3.033 -10.229) 15.917 13.879 ( 12.449 -2.139 -14.228) 19.026 14.118 ( -2.127 -6.677 -11.941) 13.845 14.576 ( -10.969 -9.020 21.996) 26.183 15.054 ( -0.716 -4.289 3.604) 5.648 15.355 ( 9.627 -12.253 5.831) 16.638 16.575 ( 7.715 9.115 -23.155) 26.053 16.886 ( -4.427 1.976 9.705) 10.849 17.055 ( -3.541 -5.237 9.417) 11.342 17.334 ( 5.811 -0.048 10.011) 11.575 17.558 ( 1.484 -2.276 0.879) 2.855 17.921 ( -11.566 -3.418 15.981) 20.022 19.083 ( 2.643 11.942 -12.512) 17.497 19.479 ( 3.897 0.635 -7.030) 8.063 19.875 ( 1.022 10.635 -15.785) 19.061 20.101 ( 2.139 7.741 -18.724) 20.373 20.421 ( 2.711 -0.725 -15.464) 15.717 20.625 ( -4.957 -0.092 -4.891) 6.964 20.666 ( -6.459 -2.015 -6.007) 9.048 21.052 ( 2.246 0.875 -4.212) 4.853 21.327 ( 0.095 -0.642 -4.903) 4.945 21.336 ( -9.774 -5.248 -1.104) 11.149 21.556 ( -7.985 -2.123 -1.271) 8.359 22.185 ( -0.357 -0.420 3.929) 3.968 22.281 ( -1.335 -1.743 1.163) 2.484 22.679 ( 3.267 1.945 2.187) 4.387 22.724 ( 0.446 -2.094 1.527) 2.629 22.842 ( -1.773 -5.024 3.262) 6.247 22.958 ( -3.746 -4.576 -0.952) 5.989 23.155 ( -3.182 -0.645 4.877) 5.859 23.346 ( 4.547 4.410 0.457) 6.351 23.500 ( 5.736 1.206 -5.080) 7.756 23.673 ( -0.402 -2.143 -2.676) 3.452 23.739 ( 4.042 -1.829 0.578) 4.474 23.805 ( 2.988 0.869 0.054) 3.112 24.249 ( -5.669 3.983 10.551) 12.622 24.614 ( -5.422 1.486 -4.749) 7.359 24.957 ( 2.017 -1.140 4.584) 5.136 25.172 ( 3.625 -10.528 2.454) 11.402 25.903 ( 19.269 5.078 16.409) 25.814 26.346 ( 14.517 1.707 6.027) 15.811 26.736 ( -11.142 1.444 12.272) 16.638 27.171 ( -13.481 4.409 -0.372) 14.189 27.672 ( -2.826 -2.083 9.724) 10.338 27.938 ( 3.399 -1.178 0.350) 3.614 28.151 ( -3.237 2.982 -0.338) 4.414 28.480 ( 7.128 -9.658 -7.777) 14.303 28.816 ( -0.959 1.219 14.068) 14.153 29.003 ( -4.724 -4.142 7.266) 9.606 29.225 ( 0.519 8.489 18.365) 20.239 29.573 ( 3.440 -5.669 21.471) 22.471 30.348 ( 12.745 14.482 -10.287) 21.863 30.793 ( 22.897 -6.369 -10.669) 26.051 32.009 ( -20.192 -0.354 -3.703) 20.532 32.185 ( -25.831 -0.868 -7.858) 27.014 32.989 ( -1.331 0.509 11.697) 11.783 33.531 ( -4.137 -0.464 6.433) 7.662 33.907 ( 6.977 -2.569 -0.420) 7.447 34.636 ( 5.189 2.001 -12.813) 13.968 105.466 ( -0.177 0.350 5.003) 5.019 105.508 ( 0.471 -0.408 3.926) 3.975 106.839 ( 0.016 -0.117 -2.083) 2.086 106.900 ( 0.267 0.362 -3.966) 3.991 ======================= Grid point 223 (78/96) ======================= q-point: (-0.29 0.29 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 0.000 19.594 38.184) 42.918 4.258 ( 0.000 15.795 29.217) 33.213 4.950 ( -0.000 -4.318 5.876) 7.292 5.130 ( 0.000 6.231 -3.545) 7.169 5.269 ( 0.000 0.853 -1.356) 1.602 5.274 ( -0.000 -19.079 14.359) 23.879 5.438 ( 0.000 8.029 4.495) 9.202 5.706 ( -0.000 -0.623 -5.307) 5.343 5.751 ( -0.000 -28.780 29.728) 41.377 5.893 ( 0.000 0.211 10.694) 10.696 6.394 ( 0.000 0.974 -0.354) 1.037 6.724 ( -0.000 -6.436 10.172) 12.037 6.785 ( 0.000 0.345 -12.991) 12.996 7.299 ( -0.000 -8.252 -5.592) 9.968 7.368 ( -0.000 -15.053 -5.484) 16.020 7.566 ( -0.000 -18.816 -16.633) 25.114 7.943 ( 0.000 4.527 8.620) 9.736 8.129 ( -0.000 -0.233 3.196) 3.204 8.443 ( 0.000 8.689 11.673) 14.552 8.557 ( -0.000 -1.595 27.197) 27.243 8.760 ( -0.000 -3.988 19.671) 20.071 8.916 ( 0.000 0.809 0.093) 0.814 9.284 ( 0.000 15.349 19.736) 25.002 9.738 ( 0.000 4.778 0.934) 4.868 9.766 ( -0.000 -2.572 -1.649) 3.055 10.162 ( 0.000 4.360 -1.655) 4.664 10.513 ( -0.000 -8.136 -6.737) 10.564 10.617 ( -0.000 -6.892 -4.560) 8.264 10.804 ( 0.000 17.622 -7.932) 19.324 11.345 ( 0.000 20.600 -14.447) 25.161 11.569 ( 0.000 18.667 -12.326) 22.369 11.789 ( -0.000 -5.147 6.661) 8.418 12.101 ( 0.000 19.737 -20.628) 28.550 12.235 ( 0.000 0.128 5.853) 5.855 12.474 ( 0.000 5.215 -3.890) 6.506 12.752 ( -0.000 -8.044 -21.355) 22.820 12.829 ( -0.000 -4.059 -8.351) 9.285 13.026 ( -0.000 -10.959 -4.141) 11.715 13.255 ( -0.000 -5.482 -15.543) 16.482 13.712 ( 0.000 4.982 -11.815) 12.822 14.020 ( 0.000 4.730 -10.584) 11.593 14.136 ( -0.000 -11.285 -11.756) 16.296 14.609 ( -0.000 -16.667 27.277) 31.966 15.106 ( -0.000 -5.757 -2.341) 6.215 15.585 ( -0.000 -16.972 2.975) 17.230 16.528 ( 0.000 16.724 -11.338) 20.205 16.809 ( 0.000 1.230 7.716) 7.813 17.078 ( -0.000 -6.220 13.052) 14.458 17.367 ( 0.000 0.972 12.027) 12.066 17.668 ( -0.000 -7.092 3.354) 7.845 17.835 ( -0.000 -5.544 7.271) 9.143 18.968 ( 0.000 15.395 -15.247) 21.667 19.474 ( 0.000 6.119 -11.423) 12.958 19.727 ( 0.000 20.977 -5.756) 21.752 20.087 ( 0.000 1.070 -25.558) 25.581 20.421 ( 0.000 4.418 -19.642) 20.133 20.582 ( -0.000 -3.149 -3.366) 4.610 20.633 ( -0.000 -1.816 -4.503) 4.856 21.068 ( 0.000 0.697 -5.094) 5.142 21.304 ( -0.000 -9.297 4.058) 10.145 21.352 ( 0.000 1.920 -10.748) 10.918 21.514 ( -0.000 -3.976 0.064) 3.976 22.190 ( -0.000 -1.318 4.512) 4.700 22.291 ( -0.000 -2.488 1.523) 2.917 22.708 ( -0.000 -0.361 1.971) 2.004 22.758 ( -0.000 -3.645 4.028) 5.432 22.886 ( -0.000 -6.811 6.454) 9.383 22.962 ( -0.000 -5.565 -5.269) 7.664 23.137 ( -0.000 -1.382 6.014) 6.171 23.379 ( 0.000 4.210 3.789) 5.664 23.494 ( 0.000 5.036 -5.494) 7.453 23.663 ( -0.000 -0.614 -4.960) 4.998 23.784 ( 0.000 2.819 -0.748) 2.917 23.843 ( -0.000 -2.865 -1.139) 3.083 24.144 ( 0.000 6.103 11.067) 12.639 24.551 ( 0.000 1.700 -5.269) 5.537 25.006 ( -0.000 -4.394 7.332) 8.548 25.319 ( -0.000 -12.321 4.017) 12.960 26.025 ( 0.000 6.061 13.372) 14.682 26.489 ( 0.000 2.234 6.883) 7.237 26.597 ( 0.000 0.617 9.316) 9.336 26.989 ( 0.000 6.111 -1.027) 6.197 27.666 ( -0.000 -2.350 8.836) 9.144 27.993 ( -0.000 -2.556 3.231) 4.120 28.078 ( 0.000 5.266 -1.177) 5.396 28.646 ( -0.000 -12.250 -6.358) 13.802 28.809 ( -0.000 -2.014 15.810) 15.938 29.002 ( -0.000 -3.931 7.715) 8.659 29.130 ( 0.000 10.499 13.932) 17.445 29.666 ( -0.000 -5.495 24.555) 25.162 30.296 ( 0.000 18.689 -13.081) 22.812 31.135 ( -0.000 -9.166 -17.971) 20.173 31.810 ( -0.000 -0.839 -2.014) 2.182 31.921 ( 0.000 1.237 -4.716) 4.876 32.972 ( 0.000 0.467 13.195) 13.203 33.494 ( 0.000 0.194 7.868) 7.871 33.995 ( -0.000 -3.384 -1.026) 3.536 34.659 ( 0.000 2.386 -11.827) 12.065 105.460 ( 0.000 0.419 5.066) 5.083 105.517 ( -0.000 -0.532 3.493) 3.533 106.841 ( -0.000 -0.156 -2.111) 2.116 106.898 ( 0.000 0.512 -3.884) 3.917 ======================= Grid point 228 (79/96) ======================= q-point: (-0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 17.564 -0.000 16.147) 23.858 4.386 ( 18.783 -0.000 22.469) 29.286 4.690 ( 2.906 -0.000 23.034) 23.216 4.758 ( 15.470 -0.000 11.343) 19.183 4.910 ( 12.284 -0.000 14.860) 19.280 5.278 ( 0.504 -0.000 -3.461) 3.497 5.574 ( 4.449 -0.000 -4.200) 6.119 5.600 ( -11.933 0.000 15.323) 19.422 5.906 ( -8.065 0.000 1.885) 8.283 6.059 ( -8.895 0.000 9.579) 13.072 6.120 ( 10.936 -0.000 6.964) 12.965 6.618 ( 2.159 -0.000 0.491) 2.214 6.659 ( -10.817 0.000 1.154) 10.879 7.176 ( 1.043 -0.000 -8.432) 8.496 7.582 ( -31.407 0.000 -7.768) 32.353 7.609 ( -38.266 0.000 -5.245) 38.623 7.894 ( 14.391 -0.000 4.437) 15.060 7.919 ( 11.891 -0.000 5.236) 12.993 8.581 ( -3.053 0.000 19.389) 19.628 8.619 ( 6.776 -0.000 17.234) 18.518 8.744 ( -1.902 0.000 14.546) 14.670 8.941 ( -18.439 0.000 5.158) 19.147 9.701 ( -1.716 0.000 5.706) 5.958 9.793 ( -18.894 0.000 14.400) 23.756 9.925 ( 1.965 -0.000 -6.019) 6.331 10.091 ( 3.992 -0.000 -9.640) 10.434 10.377 ( 4.184 -0.000 -0.623) 4.230 10.422 ( 0.105 -0.000 -1.047) 1.052 11.226 ( -5.993 0.000 -5.922) 8.425 11.559 ( 11.620 -0.000 -0.604) 11.636 11.816 ( -8.982 0.000 -18.197) 20.294 11.997 ( 12.606 -0.000 -2.181) 12.793 12.122 ( 1.390 -0.000 -17.834) 17.888 12.208 ( 5.037 -0.000 -9.462) 10.719 12.426 ( 3.440 -0.000 -0.493) 3.475 12.520 ( 18.475 -0.000 -3.455) 18.795 12.768 ( -9.497 0.000 -9.307) 13.297 12.894 ( -4.536 0.000 -2.582) 5.219 13.360 ( -2.530 0.000 -17.203) 17.388 13.675 ( 15.130 -0.000 -14.256) 20.788 13.823 ( 4.339 -0.000 -17.653) 18.179 14.060 ( 3.785 -0.000 -7.600) 8.490 14.487 ( -14.263 0.000 22.030) 26.244 15.007 ( -3.439 0.000 10.391) 10.946 15.234 ( 9.663 -0.000 2.564) 9.998 16.663 ( 9.389 -0.000 -30.909) 32.303 16.916 ( -2.368 0.000 14.599) 14.789 16.990 ( -5.139 0.000 -5.110) 7.247 17.330 ( 8.186 -0.000 11.115) 13.804 17.552 ( -3.184 0.000 5.022) 5.946 17.883 ( -10.526 0.000 24.187) 26.378 19.202 ( 3.522 -0.000 -11.925) 12.435 19.482 ( 6.707 -0.000 -8.104) 10.520 19.942 ( -0.268 0.000 -28.246) 28.247 20.283 ( 4.576 -0.000 -17.690) 18.273 20.348 ( 5.033 -0.000 -4.224) 6.571 20.633 ( -3.752 0.000 -5.620) 6.757 20.639 ( -8.926 0.000 -4.575) 10.030 21.068 ( 2.564 -0.000 -3.540) 4.371 21.274 ( -13.062 0.000 1.049) 13.104 21.324 ( 1.028 -0.000 -5.895) 5.984 21.527 ( -10.175 0.000 -0.821) 10.208 22.182 ( -0.378 0.000 3.540) 3.560 22.264 ( -2.064 0.000 0.778) 2.206 22.702 ( 0.888 -0.000 1.254) 1.536 22.722 ( 3.342 -0.000 1.714) 3.756 22.778 ( -1.350 0.000 1.152) 1.775 22.907 ( -7.031 0.000 0.095) 7.031 23.147 ( -4.104 0.000 5.518) 6.877 23.410 ( 2.285 -0.000 2.434) 3.339 23.487 ( 11.524 -0.000 -7.477) 13.738 23.664 ( 2.822 -0.000 -4.665) 5.452 23.708 ( 0.663 -0.000 2.284) 2.378 23.822 ( 4.297 -0.000 -0.627) 4.343 24.287 ( -4.898 0.000 10.288) 11.394 24.629 ( -5.533 0.000 -4.847) 7.355 24.967 ( 1.785 -0.000 2.182) 2.819 25.046 ( 2.016 -0.000 2.940) 3.565 25.953 ( 19.478 -0.000 19.599) 27.632 26.361 ( 14.128 -0.000 6.554) 15.574 26.754 ( -11.545 0.000 13.585) 17.828 27.212 ( -13.469 0.000 0.090) 13.469 27.651 ( -2.116 0.000 10.475) 10.687 27.927 ( 1.616 -0.000 -1.340) 2.099 28.178 ( -2.413 0.000 0.871) 2.565 28.386 ( 8.659 -0.000 -9.876) 13.134 28.853 ( -2.273 0.000 13.553) 13.743 28.935 ( -5.152 0.000 4.873) 7.091 29.341 ( 5.021 -0.000 27.537) 27.991 29.488 ( -0.127 0.000 15.548) 15.549 30.533 ( 18.214 -0.000 -9.145) 20.381 30.686 ( 17.176 -0.000 -13.042) 21.566 32.005 ( -21.104 0.000 -3.922) 21.466 32.176 ( -24.657 0.000 -7.205) 25.688 32.994 ( -1.458 0.000 11.117) 11.212 33.527 ( -3.381 0.000 6.366) 7.208 33.881 ( 6.925 -0.000 0.831) 6.975 34.656 ( 4.946 -0.000 -13.204) 14.100 105.469 ( -0.153 0.000 4.966) 4.968 105.504 ( 0.431 -0.000 4.212) 4.234 106.838 ( 0.019 -0.000 -2.047) 2.047 106.903 ( 0.293 -0.000 -4.099) 4.109 ======================= Grid point 230 (80/96) ======================= q-point: (-0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.425 ( 0.000 23.464 32.568) 40.140 4.510 ( 0.000 9.100 24.992) 26.597 4.855 ( -0.000 -4.482 9.596) 10.591 4.878 ( -0.000 -21.973 25.487) 33.652 5.191 ( 0.000 1.138 -6.530) 6.628 5.288 ( 0.000 0.536 -1.961) 2.033 5.322 ( -0.000 -13.936 35.746) 38.366 5.602 ( 0.000 6.484 0.348) 6.493 5.702 ( -0.000 -0.506 -2.841) 2.886 5.961 ( 0.000 7.866 16.113) 17.931 6.242 ( -0.000 -12.775 13.320) 18.457 6.795 ( 0.000 10.878 -2.329) 11.125 6.900 ( 0.000 10.938 -20.234) 23.001 7.070 ( -0.000 -15.420 -5.369) 16.328 7.139 ( -0.000 -9.876 -15.232) 18.153 7.235 ( -0.000 -12.009 -18.515) 22.069 8.030 ( 0.000 4.340 5.670) 7.140 8.099 ( -0.000 -2.804 2.515) 3.767 8.517 ( -0.000 -1.664 35.141) 35.181 8.639 ( 0.000 11.442 12.868) 17.219 8.736 ( 0.000 0.229 12.733) 12.735 8.837 ( -0.000 -8.478 8.425) 11.952 9.529 ( 0.000 8.688 21.153) 22.867 9.696 ( -0.000 -3.652 5.403) 6.521 9.893 ( 0.000 9.769 -6.441) 11.701 10.175 ( -0.000 -5.376 -10.995) 12.239 10.402 ( 0.000 0.234 -2.013) 2.026 10.490 ( -0.000 -6.337 -3.661) 7.319 11.096 ( 0.000 10.097 -9.729) 14.022 11.639 ( 0.000 8.905 -27.661) 29.059 11.722 ( -0.000 -1.836 9.181) 9.362 11.952 ( 0.000 19.275 -7.666) 20.744 12.199 ( -0.000 -6.682 -26.814) 27.634 12.246 ( 0.000 0.652 7.554) 7.582 12.549 ( 0.000 2.396 -3.609) 4.332 12.651 ( -0.000 -5.174 -9.473) 10.793 12.759 ( -0.000 -2.588 -9.902) 10.234 12.837 ( -0.000 -6.244 6.744) 9.191 13.276 ( 0.000 6.940 -18.970) 20.199 13.800 ( 0.000 3.231 -16.533) 16.846 13.912 ( -0.000 -10.377 -15.544) 18.689 14.088 ( 0.000 2.033 -8.266) 8.512 14.378 ( -0.000 -6.684 28.529) 29.301 15.000 ( -0.000 -4.130 8.145) 9.133 15.350 ( -0.000 -6.591 3.137) 7.299 16.748 ( 0.000 6.058 -33.637) 34.178 16.858 ( 0.000 3.807 7.355) 8.282 16.956 ( -0.000 -6.008 6.003) 8.493 17.412 ( 0.000 2.739 3.445) 4.401 17.550 ( -0.000 -4.645 8.964) 10.096 17.775 ( -0.000 -1.176 29.209) 29.233 19.190 ( 0.000 6.813 -13.568) 15.182 19.548 ( 0.000 1.937 -15.050) 15.174 19.933 ( 0.000 1.813 -28.042) 28.100 20.258 ( 0.000 14.013 -8.201) 16.237 20.442 ( -0.000 -3.334 -10.824) 11.325 20.528 ( -0.000 -1.896 -2.710) 3.307 20.600 ( -0.000 -1.233 -4.368) 4.539 21.091 ( 0.000 1.422 -4.288) 4.518 21.175 ( -0.000 -3.660 2.584) 4.481 21.346 ( -0.000 -1.709 -7.403) 7.598 21.440 ( -0.000 -2.780 -0.612) 2.847 22.179 ( -0.000 -0.136 3.925) 3.927 22.252 ( -0.000 -1.267 1.556) 2.006 22.719 ( -0.000 -0.801 2.121) 2.268 22.734 ( 0.000 3.086 -0.420) 3.115 22.792 ( -0.000 -2.795 5.253) 5.950 22.852 ( -0.000 -5.468 -4.426) 7.035 23.116 ( -0.000 -0.591 7.497) 7.521 23.434 ( 0.000 1.546 2.685) 3.099 23.596 ( 0.000 5.028 -7.421) 8.964 23.647 ( -0.000 -0.629 -4.891) 4.931 23.740 ( -0.000 -4.564 0.043) 4.564 23.861 ( 0.000 1.883 -0.705) 2.011 24.230 ( 0.000 2.504 10.566) 10.859 24.574 ( 0.000 0.652 -4.643) 4.689 24.975 ( 0.000 1.032 3.349) 3.505 25.109 ( -0.000 -8.217 2.776) 8.673 26.120 ( 0.000 2.867 19.500) 19.709 26.511 ( 0.000 0.524 8.419) 8.436 26.618 ( 0.000 0.925 12.449) 12.483 27.069 ( 0.000 2.230 -0.514) 2.288 27.637 ( -0.000 -0.756 10.296) 10.324 27.952 ( -0.000 -1.533 -1.423) 2.092 28.147 ( 0.000 1.793 -0.114) 1.797 28.487 ( -0.000 -4.099 -10.315) 11.100 28.813 ( 0.000 2.295 13.454) 13.648 28.913 ( -0.000 -4.774 7.164) 8.609 29.328 ( 0.000 9.327 23.512) 25.294 29.538 ( -0.000 -7.327 21.071) 22.308 30.621 ( 0.000 14.781 -15.125) 21.148 30.935 ( -0.000 -11.419 -17.177) 20.626 31.800 ( -0.000 -0.296 -1.592) 1.620 31.937 ( 0.000 0.475 -4.937) 4.960 32.979 ( 0.000 0.225 12.322) 12.324 33.496 ( 0.000 0.037 6.828) 6.828 33.948 ( -0.000 -1.361 1.333) 1.905 34.692 ( 0.000 0.951 -12.421) 12.458 105.467 ( 0.000 0.226 5.025) 5.030 105.509 ( -0.000 -0.260 4.062) 4.070 106.839 ( -0.000 -0.062 -2.061) 2.062 106.905 ( 0.000 0.205 -4.144) 4.149 ======================= Grid point 255 (81/96) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( 0.000 0.000 21.335) 21.335 4.445 ( 0.000 0.000 39.530) 39.530 4.715 ( 0.000 0.000 -10.396) 10.396 5.152 ( 0.000 0.000 -30.547) 30.547 5.160 ( 0.000 0.000 0.422) 0.422 5.170 ( 0.000 0.000 -0.764) 0.764 5.494 ( 0.000 0.000 6.612) 6.612 5.623 ( 0.000 0.000 -5.710) 5.710 6.054 ( 0.000 0.000 3.704) 3.704 6.130 ( 0.000 0.000 -4.032) 4.032 7.055 ( 0.000 0.000 15.797) 15.797 7.162 ( 0.000 0.000 8.382) 8.382 7.277 ( 0.000 0.000 12.501) 12.501 7.517 ( 0.000 0.000 1.422) 1.422 7.518 ( 0.000 0.000 -11.074) 11.074 7.723 ( 0.000 0.000 -15.256) 15.256 8.005 ( 0.000 0.000 5.416) 5.416 8.086 ( 0.000 0.000 -2.887) 2.887 8.510 ( 0.000 0.000 10.557) 10.557 8.654 ( 0.000 0.000 -5.367) 5.367 9.046 ( 0.000 0.000 17.978) 17.978 9.141 ( 0.000 0.000 11.537) 11.537 9.295 ( 0.000 0.000 6.748) 6.748 9.431 ( 0.000 0.000 -9.910) 9.910 9.987 ( 0.000 0.000 17.586) 17.586 10.187 ( 0.000 0.000 4.598) 4.598 10.407 ( 0.000 0.000 -6.104) 6.104 10.452 ( 0.000 0.000 -12.332) 12.332 10.523 ( 0.000 0.000 -13.890) 13.890 10.534 ( 0.000 0.000 -9.418) 9.418 11.248 ( 0.000 0.000 9.112) 9.112 11.295 ( 0.000 0.000 5.862) 5.862 12.005 ( 0.000 0.000 -3.337) 3.337 12.014 ( 0.000 0.000 -2.384) 2.384 12.432 ( 0.000 0.000 -16.848) 16.848 12.556 ( 0.000 0.000 -28.804) 28.804 12.561 ( 0.000 0.000 11.557) 11.557 12.764 ( 0.000 0.000 -9.098) 9.098 13.614 ( 0.000 0.000 11.603) 11.603 13.733 ( 0.000 0.000 17.758) 17.758 13.826 ( 0.000 0.000 -5.185) 5.185 14.074 ( 0.000 0.000 -16.278) 16.278 15.149 ( 0.000 0.000 2.087) 2.087 15.440 ( 0.000 0.000 -27.615) 27.615 15.754 ( 0.000 0.000 23.334) 23.334 16.037 ( 0.000 0.000 -3.309) 3.309 17.257 ( 0.000 0.000 16.728) 16.728 17.462 ( 0.000 0.000 -0.959) 0.959 17.925 ( 0.000 0.000 24.198) 24.198 17.951 ( 0.000 0.000 -0.861) 0.861 18.109 ( 0.000 0.000 -14.965) 14.965 18.156 ( 0.000 0.000 18.778) 18.778 18.936 ( 0.000 0.000 -11.900) 11.900 19.128 ( 0.000 0.000 -8.518) 8.518 19.657 ( 0.000 0.000 -16.651) 16.651 19.731 ( 0.000 0.000 -15.270) 15.270 20.591 ( 0.000 0.000 -1.563) 1.563 20.594 ( 0.000 0.000 -1.863) 1.863 21.015 ( 0.000 0.000 -0.061) 0.061 21.069 ( 0.000 0.000 -5.682) 5.682 21.587 ( 0.000 0.000 1.478) 1.478 21.601 ( 0.000 0.000 -0.023) 0.023 22.321 ( 0.000 0.000 1.900) 1.900 22.346 ( 0.000 0.000 -0.620) 0.620 22.809 ( 0.000 0.000 4.642) 4.642 22.938 ( 0.000 0.000 -8.305) 8.305 23.140 ( 0.000 0.000 3.992) 3.992 23.170 ( 0.000 0.000 0.526) 0.526 23.225 ( 0.000 0.000 5.227) 5.227 23.323 ( 0.000 0.000 -4.574) 4.574 23.379 ( 0.000 0.000 11.049) 11.049 23.539 ( 0.000 0.000 -5.536) 5.536 23.760 ( 0.000 0.000 3.867) 3.867 23.839 ( 0.000 0.000 -3.910) 3.910 24.169 ( 0.000 0.000 8.867) 8.867 24.342 ( 0.000 0.000 -8.348) 8.348 25.510 ( 0.000 0.000 11.814) 11.814 25.643 ( 0.000 0.000 2.338) 2.338 26.038 ( 0.000 0.000 1.206) 1.206 26.175 ( 0.000 0.000 -7.917) 7.917 26.704 ( 0.000 0.000 0.104) 0.104 26.712 ( 0.000 0.000 -0.651) 0.651 27.857 ( 0.000 0.000 3.124) 3.124 27.897 ( 0.000 0.000 -0.799) 0.799 28.557 ( 0.000 0.000 23.605) 23.605 28.933 ( 0.000 0.000 3.309) 3.309 29.063 ( 0.000 0.000 -12.042) 12.042 29.142 ( 0.000 0.000 7.393) 7.393 29.190 ( 0.000 0.000 2.457) 2.457 29.240 ( 0.000 0.000 -11.774) 11.774 30.400 ( 0.000 0.000 26.543) 26.543 30.897 ( 0.000 0.000 -23.208) 23.208 31.804 ( 0.000 0.000 -0.902) 0.902 31.815 ( 0.000 0.000 -1.886) 1.886 33.252 ( 0.000 0.000 14.134) 14.134 33.491 ( 0.000 0.000 -8.288) 8.288 34.142 ( 0.000 0.000 9.195) 9.195 34.365 ( 0.000 0.000 -11.782) 11.782 105.530 ( 0.000 0.000 2.801) 2.801 105.557 ( 0.000 0.000 0.085) 0.085 106.819 ( 0.000 0.000 -0.475) 0.475 106.831 ( 0.000 0.000 -1.686) 1.686 ======================= Grid point 256 (82/96) ======================= q-point: ( 0.14 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( -14.191 -3.784 27.069) 30.797 4.443 ( -1.205 -6.784 14.414) 15.976 4.822 ( 1.708 -0.682 -2.626) 3.206 4.937 ( -13.441 -0.262 -9.382) 16.394 5.054 ( -11.838 1.632 -4.533) 12.780 5.108 ( -9.220 -3.017 -7.166) 12.061 5.370 ( -13.353 0.491 4.514) 14.104 5.468 ( -16.408 -0.660 -4.609) 17.056 6.241 ( 17.155 1.154 6.043) 18.225 6.328 ( 12.809 1.169 -2.427) 13.089 6.931 ( -8.802 5.777 6.533) 12.391 6.988 ( -1.852 4.964 4.246) 6.790 7.244 ( -8.440 12.831 4.437) 15.986 7.356 ( -4.319 2.399 -3.909) 6.300 7.613 ( 13.582 1.249 10.204) 17.034 7.720 ( 6.325 0.429 2.270) 6.733 8.202 ( 11.476 4.651 -2.007) 12.544 8.218 ( 15.562 2.968 -3.851) 16.304 8.505 ( 1.464 -0.023 7.594) 7.734 8.638 ( -2.484 -2.904 -4.986) 6.281 9.168 ( 7.947 3.902 14.777) 17.226 9.312 ( 9.980 3.015 4.859) 11.503 9.406 ( 17.938 -9.215 9.876) 22.455 9.541 ( 6.756 -9.598 -8.011) 14.210 9.956 ( -0.650 0.638 13.520) 13.551 10.107 ( -3.166 0.454 4.843) 5.804 10.405 ( -7.795 2.493 -9.463) 12.511 10.451 ( -7.045 -0.476 -8.892) 11.355 10.588 ( 18.213 -1.444 -2.051) 18.385 10.700 ( 18.191 -7.850 -13.206) 23.810 11.326 ( 3.386 -4.995 10.242) 11.888 11.426 ( 6.668 -9.382 2.884) 11.866 11.905 ( -7.865 2.263 -1.300) 8.287 11.979 ( -6.511 -5.135 -7.423) 11.129 12.287 ( -14.905 0.872 -2.016) 15.066 12.448 ( -13.010 1.928 -19.962) 23.905 12.645 ( 8.123 0.400 -2.484) 8.504 12.795 ( 5.966 0.671 -14.946) 16.107 13.515 ( -10.550 1.575 9.897) 14.551 13.645 ( -8.795 1.895 10.691) 13.972 13.762 ( -8.287 0.281 0.458) 8.304 14.037 ( -4.661 2.483 -17.223) 18.015 15.135 ( -0.672 0.640 4.657) 4.749 15.404 ( -3.858 0.770 -15.208) 15.708 15.692 ( -0.725 9.414 12.292) 15.499 15.960 ( -9.814 -3.345 -6.494) 12.234 17.254 ( -0.032 5.759 14.391) 15.500 17.429 ( -3.305 6.420 -0.766) 7.261 17.782 ( -6.724 6.021 8.130) 12.148 17.894 ( -2.497 -1.892 1.614) 3.524 18.198 ( 6.265 -2.269 17.461) 18.690 18.251 ( 5.360 -9.678 5.128) 12.194 19.084 ( 13.362 -1.201 -15.818) 20.741 19.230 ( 6.912 -3.856 -14.237) 16.289 19.667 ( 1.789 -1.599 -8.037) 8.388 19.801 ( 2.685 -8.978 -14.845) 17.555 20.603 ( 1.404 0.621 -1.382) 2.066 20.617 ( 3.092 0.355 -2.813) 4.195 21.007 ( -0.927 -0.136 0.164) 0.951 21.065 ( -1.390 -1.605 -5.715) 6.097 21.607 ( 3.331 2.476 1.198) 4.320 21.621 ( 3.115 1.023 -0.264) 3.289 22.319 ( 0.275 1.310 2.467) 2.807 22.350 ( 0.767 0.682 -0.679) 1.231 22.717 ( -8.127 0.115 3.720) 8.939 22.810 ( -10.170 0.739 -5.286) 11.485 23.099 ( -5.876 1.479 4.393) 7.485 23.139 ( -0.546 5.287 0.887) 5.389 23.229 ( -0.326 0.015 0.730) 0.799 23.269 ( -1.762 0.912 -3.812) 4.298 23.417 ( 1.804 -2.020 8.599) 9.015 23.570 ( 0.435 -1.210 -6.419) 6.547 23.861 ( 9.834 2.467 4.432) 11.065 23.920 ( 9.478 2.902 -1.223) 9.988 24.229 ( 5.649 -4.176 9.230) 11.599 24.401 ( 6.046 -2.703 -7.943) 10.341 25.390 ( -7.981 9.060 11.262) 16.511 25.558 ( -7.481 5.851 -2.269) 9.765 25.852 ( -20.335 -5.126 7.358) 22.224 26.059 ( -17.445 -8.896 -9.559) 21.791 26.819 ( 11.769 -0.414 2.265) 11.992 26.865 ( 12.185 -4.991 -2.278) 13.363 27.893 ( 4.559 1.053 3.725) 5.981 27.943 ( 3.921 -1.675 -1.175) 4.423 28.473 ( -2.128 11.795 19.793) 23.139 28.814 ( -7.683 10.430 -8.258) 15.363 28.997 ( -6.144 -3.144 5.333) 8.722 29.168 ( -1.137 -3.501 -0.271) 3.691 29.246 ( 6.826 -0.298 4.365) 8.107 29.356 ( 3.257 -13.417 -8.005) 15.960 30.300 ( -9.710 1.336 22.751) 24.772 30.691 ( -18.842 1.484 -16.073) 24.810 31.993 ( 19.856 0.190 0.439) 19.861 32.055 ( 24.871 0.138 -5.949) 25.573 33.253 ( 0.068 0.252 14.208) 14.211 33.505 ( 1.700 0.548 -9.858) 10.018 34.084 ( -6.665 0.192 9.808) 11.860 34.314 ( -6.539 -0.795 -11.979) 13.671 105.532 ( 0.106 -0.131 2.696) 2.701 105.556 ( -0.182 -0.026 0.282) 0.337 106.818 ( -0.071 0.037 -0.437) 0.444 106.831 ( -0.055 -0.100 -1.732) 1.736 ======================= Grid point 257 (83/96) ======================= q-point: ( 0.29 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( -4.922 -4.762 15.803) 17.223 4.394 ( -12.422 -6.060 -5.276) 14.794 4.625 ( -17.123 1.284 3.631) 17.551 4.673 ( -19.190 -0.027 -0.733) 19.204 4.904 ( -10.975 1.295 2.490) 11.328 4.992 ( -13.289 3.750 -4.421) 14.498 5.197 ( -1.371 -3.198 4.891) 6.003 5.339 ( 7.427 -5.975 -6.987) 11.819 6.282 ( -9.050 5.440 4.508) 11.481 6.315 ( -5.782 3.665 0.822) 6.895 6.814 ( -9.146 4.946 6.535) 12.281 6.848 ( -13.384 4.448 3.922) 14.639 7.289 ( 28.118 2.830 8.911) 29.632 7.427 ( 16.505 5.033 -2.067) 17.379 7.821 ( 16.282 4.145 8.834) 18.983 7.938 ( 18.446 3.257 1.474) 18.789 8.262 ( 0.614 -1.706 8.057) 8.259 8.383 ( 3.593 -2.443 -1.768) 4.691 8.593 ( 7.827 1.706 0.392) 8.021 8.709 ( 13.048 1.554 -7.989) 15.378 9.114 ( -8.271 3.847 18.515) 20.640 9.407 ( -2.377 4.363 -7.236) 8.777 9.620 ( 3.873 -3.063 6.904) 8.488 9.787 ( 7.991 -5.111 -7.183) 11.899 10.011 ( 5.716 -0.794 10.140) 11.667 10.222 ( 8.645 -0.338 7.659) 11.555 10.312 ( 6.226 -0.694 -8.427) 10.500 10.446 ( 12.647 -1.861 -2.385) 13.003 10.905 ( 9.672 -2.603 7.972) 12.801 11.131 ( 20.499 -6.356 -11.641) 24.415 11.335 ( -7.097 -6.719 4.667) 10.830 11.544 ( -5.563 -10.267 -5.909) 13.087 11.762 ( -8.811 -0.670 -0.599) 8.857 11.946 ( -11.730 -3.613 -12.355) 17.415 12.055 ( -1.716 -4.588 4.966) 6.975 12.205 ( -7.421 1.481 -8.919) 11.697 12.788 ( 9.562 1.033 -3.910) 10.382 12.933 ( 10.536 1.415 -17.279) 20.288 13.262 ( -15.047 5.340 7.752) 17.749 13.427 ( -14.193 3.565 -0.132) 14.635 13.555 ( -15.551 0.006 5.168) 16.387 13.845 ( -15.659 1.595 -18.356) 24.181 15.132 ( 1.641 1.661 8.857) 9.160 15.316 ( -4.313 2.187 2.233) 5.326 15.570 ( -3.486 9.156 4.515) 10.788 15.852 ( -5.899 -3.670 -17.508) 18.836 17.106 ( -9.043 5.175 5.588) 11.823 17.235 ( -9.339 7.355 -8.621) 14.684 17.707 ( 2.476 5.468 20.960) 21.802 17.911 ( 3.496 2.990 9.019) 10.124 18.380 ( 9.352 -6.942 13.325) 17.697 18.463 ( 6.238 -13.110 5.105) 15.390 19.281 ( 9.007 2.369 -20.615) 22.622 19.331 ( 3.343 -0.393 -22.435) 22.686 19.762 ( 4.115 -5.752 5.699) 9.083 19.956 ( 3.961 -9.561 -12.030) 15.869 20.624 ( 1.838 0.767 -0.444) 2.041 20.673 ( 3.724 0.722 -5.174) 6.416 20.994 ( -0.487 -0.037 0.676) 0.834 21.058 ( -1.643 -2.350 -5.687) 6.369 21.645 ( 4.256 2.299 0.914) 4.923 21.675 ( 4.391 1.272 -1.934) 4.963 22.298 ( -0.984 1.837 3.630) 4.186 22.350 ( 0.363 1.632 -1.246) 2.086 22.623 ( -3.539 -1.389 2.408) 4.500 22.681 ( -5.298 -1.937 -3.672) 6.731 23.004 ( -3.181 1.888 2.507) 4.468 23.041 ( -4.136 4.134 -0.515) 5.870 23.192 ( -3.591 -0.523 1.987) 4.137 23.244 ( -1.536 1.122 -3.154) 3.683 23.483 ( 3.624 -2.628 4.467) 6.324 23.571 ( -0.850 -1.528 -4.404) 4.738 23.933 ( 4.272 7.540 5.394) 10.208 23.997 ( 4.664 7.790 -0.564) 9.097 24.432 ( 11.833 -4.402 9.410) 15.746 24.586 ( 12.093 -2.332 -6.317) 13.841 25.154 ( -8.674 7.222 8.534) 14.150 25.310 ( -11.163 8.894 -6.453) 15.664 25.582 ( -20.602 -10.052 13.460) 26.583 25.825 ( -20.411 -9.057 -9.848) 24.405 27.041 ( 12.552 -3.272 5.468) 14.077 27.141 ( 13.254 -7.397 -4.250) 15.762 27.955 ( 3.254 2.456 4.869) 6.350 28.009 ( 2.064 1.594 -0.049) 2.609 28.329 ( 0.077 10.548 11.184) 15.374 28.555 ( -8.588 13.111 -9.413) 18.282 28.927 ( -7.997 -6.998 11.672) 15.785 29.142 ( -6.353 -5.229 -7.701) 11.270 29.413 ( 10.461 -2.087 9.774) 14.468 29.547 ( 7.838 -7.334 -3.848) 11.403 30.112 ( -10.809 1.111 16.106) 19.428 30.363 ( -18.176 1.501 -8.872) 20.281 32.381 ( 25.503 0.478 2.718) 25.652 32.489 ( 26.563 0.429 -7.722) 27.666 33.243 ( -1.158 0.334 13.884) 13.936 33.512 ( -1.353 1.281 -12.659) 12.795 33.945 ( -8.349 0.238 10.278) 13.244 34.176 ( -11.090 -1.537 -12.148) 16.521 105.536 ( 0.196 -0.184 2.401) 2.416 105.552 ( -0.286 -0.015 0.776) 0.827 106.816 ( -0.080 0.029 -0.371) 0.380 106.831 ( -0.072 -0.109 -1.816) 1.821 ======================= Grid point 258 (84/96) ======================= q-point: ( 0.43 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( -1.419 -0.244 3.054) 3.376 4.234 ( -6.090 0.376 -2.810) 6.717 4.406 ( -2.970 -2.292 3.629) 5.220 4.505 ( -6.605 -5.770 -4.541) 9.876 4.634 ( -11.607 2.811 2.406) 12.183 4.705 ( -12.222 5.184 -4.625) 14.059 5.427 ( 16.454 -5.193 11.499) 20.735 5.589 ( 8.793 -3.569 -3.930) 10.272 6.036 ( -10.453 4.386 8.711) 14.296 6.148 ( -9.712 2.421 -2.297) 10.269 6.576 ( -7.719 3.000 9.393) 12.522 6.665 ( -5.783 1.300 0.361) 5.938 7.583 ( 7.653 2.866 8.494) 11.787 7.693 ( 12.718 1.887 -1.999) 13.012 8.083 ( 16.484 4.204 5.029) 17.739 8.128 ( 6.890 3.107 -1.572) 7.720 8.321 ( 2.297 -8.490 15.690) 17.987 8.489 ( 5.310 -1.086 6.317) 8.323 8.728 ( 6.723 -0.526 5.089) 8.448 8.873 ( 1.679 1.467 1.200) 2.532 8.942 ( 0.534 -0.016 -0.981) 1.117 9.151 ( -19.510 2.222 -7.075) 20.872 9.652 ( -1.169 1.538 2.241) 2.959 9.858 ( -0.822 -0.893 -12.412) 12.471 10.178 ( 14.931 -1.931 12.058) 19.289 10.322 ( 6.772 2.920 7.635) 10.615 10.579 ( 17.016 2.378 5.459) 18.028 10.767 ( -1.173 -2.240 -0.393) 2.558 10.830 ( 4.898 -3.330 1.296) 6.063 11.134 ( -19.119 -0.371 -9.807) 21.491 11.284 ( -4.747 -0.627 -1.378) 4.983 11.462 ( -14.800 -1.327 -9.825) 17.814 11.793 ( 12.141 -6.414 5.170) 14.672 11.975 ( 10.388 -6.733 -11.254) 16.730 12.154 ( 0.435 -1.349 3.906) 4.155 12.222 ( 4.205 -2.155 -2.665) 5.425 12.884 ( -0.720 0.754 -0.814) 1.322 12.958 ( -5.536 4.755 -4.867) 8.771 13.091 ( 2.144 3.714 -3.677) 5.649 13.192 ( -5.680 2.367 -8.433) 10.440 13.339 ( -5.238 -0.535 0.193) 5.269 13.558 ( -16.120 -0.914 -17.261) 23.635 15.145 ( 1.145 1.031 10.055) 10.172 15.244 ( -2.062 1.215 6.132) 6.583 15.447 ( -2.561 3.525 9.878) 10.796 15.827 ( -0.997 -1.375 -25.385) 25.442 16.951 ( -4.340 1.851 1.329) 4.902 17.066 ( -4.026 2.995 -12.772) 13.723 17.706 ( 1.266 2.100 27.520) 27.629 17.931 ( 1.556 1.659 13.207) 13.402 18.561 ( 4.510 -3.693 4.968) 7.658 18.648 ( 3.586 -5.715 6.535) 9.393 19.314 ( 0.767 1.868 -19.057) 19.164 19.398 ( 2.784 0.237 -23.725) 23.889 19.851 ( 1.348 -2.527 9.990) 10.392 20.063 ( 1.034 -3.509 -10.709) 11.316 20.643 ( 0.914 0.328 0.026) 0.971 20.709 ( 1.281 0.586 -5.970) 6.134 20.996 ( 0.504 -0.005 0.213) 0.547 21.056 ( -0.784 -1.343 -5.360) 5.581 21.698 ( 2.799 0.409 -0.104) 2.831 21.731 ( 2.655 0.099 -3.498) 4.392 22.263 ( -1.095 0.875 3.653) 3.912 22.329 ( -0.744 1.423 -2.639) 3.089 22.613 ( 0.385 -1.316 3.318) 3.590 22.656 ( -1.470 -1.725 -1.026) 2.488 22.953 ( -1.552 1.621 0.472) 2.293 22.970 ( -0.295 1.780 -1.111) 2.118 23.143 ( -2.440 -1.013 2.081) 3.364 23.209 ( -1.370 0.176 -3.789) 4.032 23.572 ( 3.067 -2.718 1.357) 4.317 23.587 ( 0.772 -1.336 -0.272) 1.567 23.887 ( -0.249 5.743 5.399) 7.886 23.948 ( -1.060 5.250 -0.625) 5.392 24.603 ( 4.861 -0.014 8.708) 9.973 24.752 ( 4.884 0.891 -6.482) 8.165 25.053 ( 2.241 1.421 6.565) 7.081 25.142 ( -2.290 2.062 -1.828) 3.583 25.372 ( -11.760 -4.532 12.109) 17.478 25.602 ( -12.262 -4.424 -9.827) 16.325 27.260 ( 7.971 -3.719 8.313) 12.103 27.389 ( 7.032 -5.097 -3.968) 9.548 27.907 ( -2.107 2.573 4.020) 5.217 27.966 ( -2.810 6.030 -1.108) 6.745 28.312 ( 2.811 2.258 2.244) 4.247 28.358 ( -3.172 4.829 -2.773) 6.409 28.879 ( -3.476 -3.360 11.927) 12.869 29.084 ( -3.902 -2.155 -8.192) 9.327 29.581 ( 6.664 -0.791 12.748) 14.406 29.743 ( 9.179 -3.224 -2.323) 10.002 29.947 ( -7.534 0.940 10.089) 12.627 30.096 ( -11.362 0.812 -4.956) 12.423 32.732 ( 14.581 0.794 4.736) 15.351 32.871 ( 17.140 -0.782 -8.392) 19.100 33.219 ( 0.991 0.612 10.884) 10.946 33.376 ( -13.528 0.828 -4.079) 14.154 33.888 ( 3.199 0.907 0.128) 3.328 34.003 ( -10.885 -1.719 -9.769) 14.727 105.541 ( 0.249 -0.136 1.964) 1.984 105.547 ( -0.287 0.047 1.366) 1.397 106.815 ( -0.033 0.008 -0.333) 0.335 106.830 ( -0.033 -0.045 -1.870) 1.871 ======================= Grid point 263 (85/96) ======================= q-point: ( 0.14 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -3.839 0.000 15.444) 15.914 4.310 ( -8.848 0.000 -1.636) 8.998 4.661 ( -19.949 0.000 0.137) 19.949 4.670 ( -19.803 0.000 0.198) 19.804 4.917 ( -8.045 0.000 3.359) 8.718 5.030 ( -11.270 0.000 -5.944) 12.741 5.166 ( -2.070 0.000 3.994) 4.499 5.284 ( 6.253 -0.000 -5.869) 8.576 6.336 ( -10.089 0.000 2.604) 10.420 6.350 ( -6.835 0.000 0.871) 6.890 6.839 ( -9.424 0.000 5.634) 10.980 6.910 ( -15.744 0.000 1.006) 15.776 7.329 ( 26.366 -0.000 10.939) 28.545 7.482 ( 15.671 -0.000 -1.905) 15.786 7.904 ( 20.754 -0.000 12.670) 24.316 7.944 ( 16.425 -0.000 10.313) 19.395 8.232 ( -5.483 0.000 7.466) 9.262 8.340 ( -0.094 0.000 -4.556) 4.557 8.674 ( 7.430 -0.000 -5.605) 9.307 8.678 ( 11.015 -0.000 -6.203) 12.642 9.179 ( -9.021 0.000 17.016) 19.259 9.419 ( -9.621 0.000 -2.441) 9.926 9.628 ( 13.906 -0.000 -3.081) 14.243 9.690 ( 14.761 -0.000 -4.583) 15.456 10.006 ( 5.716 -0.000 9.678) 11.240 10.208 ( 14.577 -0.000 5.047) 15.426 10.314 ( 0.982 -0.000 -4.752) 4.852 10.429 ( 10.869 -0.000 0.486) 10.880 10.910 ( 11.704 -0.000 9.221) 14.901 11.023 ( 23.611 -0.000 -6.368) 24.455 11.288 ( -0.201 0.000 -1.632) 1.645 11.424 ( -5.705 0.000 -2.209) 6.117 11.770 ( -10.797 0.000 -8.158) 13.532 11.889 ( -4.796 0.000 -12.700) 13.575 12.021 ( -9.601 0.000 9.644) 13.608 12.223 ( -9.517 0.000 -11.914) 15.248 12.801 ( 9.828 -0.000 -3.931) 10.585 12.946 ( 10.870 -0.000 -17.889) 20.933 13.326 ( -12.592 0.000 7.098) 14.454 13.444 ( -16.355 0.000 9.062) 18.698 13.563 ( -14.565 0.000 -0.294) 14.568 13.857 ( -18.480 0.000 -19.333) 26.745 15.151 ( 2.033 -0.000 7.614) 7.880 15.336 ( -5.075 0.000 0.986) 5.170 15.739 ( 0.780 -0.000 -11.713) 11.739 15.740 ( -12.522 0.000 1.039) 12.565 17.152 ( -12.369 0.000 8.736) 15.143 17.289 ( -13.610 0.000 -2.823) 13.900 17.892 ( 3.944 -0.000 3.089) 5.010 17.909 ( 7.585 -0.000 2.941) 8.135 18.232 ( 2.480 -0.000 24.322) 24.448 18.339 ( 12.243 -0.000 10.755) 16.296 19.304 ( 11.131 -0.000 -21.823) 24.498 19.328 ( 4.379 -0.000 -16.786) 17.347 19.725 ( 5.812 -0.000 -3.843) 6.968 19.835 ( 6.898 -0.000 -9.538) 11.771 20.633 ( 1.742 -0.000 -0.496) 1.811 20.680 ( 3.724 -0.000 -5.046) 6.271 20.997 ( 0.101 -0.000 -0.565) 0.574 21.031 ( -1.586 0.000 -4.141) 4.434 21.671 ( 2.890 -0.000 0.042) 2.891 21.686 ( 3.838 -0.000 -1.257) 4.038 22.319 ( -1.420 0.000 3.610) 3.879 22.366 ( 0.503 -0.000 -0.760) 0.911 22.610 ( -3.221 0.000 1.793) 3.686 22.659 ( -6.997 0.000 -3.745) 7.936 23.024 ( -3.006 0.000 3.115) 4.329 23.088 ( -5.306 0.000 -3.018) 6.104 23.180 ( -5.369 0.000 4.954) 7.306 23.259 ( -2.489 0.000 -3.203) 4.056 23.454 ( 3.754 -0.000 4.566) 5.911 23.554 ( -0.506 0.000 -5.319) 5.343 24.023 ( 4.360 -0.000 5.761) 7.225 24.080 ( 3.990 -0.000 0.038) 3.990 24.375 ( 15.478 -0.000 10.945) 18.956 24.557 ( 14.480 -0.000 -7.413) 16.267 25.264 ( -12.461 0.000 8.972) 15.355 25.396 ( -17.095 0.000 4.563) 17.694 25.475 ( -16.856 0.000 2.524) 17.044 25.707 ( -17.489 0.000 -11.224) 20.781 27.025 ( 12.303 -0.000 1.132) 12.355 27.047 ( 12.944 -0.000 -1.290) 13.008 27.982 ( 4.266 -0.000 3.891) 5.774 28.019 ( 5.478 -0.000 -0.014) 5.478 28.509 ( -2.031 0.000 16.761) 16.883 28.635 ( -14.273 0.000 7.191) 15.982 28.936 ( -12.392 0.000 -5.836) 13.698 28.978 ( -2.527 0.000 -13.326) 13.564 29.400 ( 11.592 -0.000 8.223) 14.213 29.481 ( 12.943 -0.000 0.190) 12.945 30.123 ( -11.419 0.000 16.745) 20.268 30.377 ( -18.866 0.000 -8.690) 20.771 32.386 ( 25.696 -0.000 2.746) 25.842 32.494 ( 26.147 -0.000 -7.623) 27.236 33.246 ( -1.222 0.000 14.409) 14.460 33.525 ( -1.225 0.000 -13.189) 13.246 33.948 ( -8.314 0.000 9.148) 12.362 34.160 ( -11.156 0.000 -11.275) 15.862 105.534 ( 0.237 -0.000 2.456) 2.467 105.552 ( -0.259 0.000 0.656) 0.705 106.816 ( -0.103 0.000 -0.422) 0.435 106.829 ( -0.024 0.000 -1.734) 1.734 ======================= Grid point 264 (86/96) ======================= q-point: ( 0.29 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 4.640 -1.293 3.525) 5.969 4.219 ( -3.699 -1.892 -2.853) 5.040 4.371 ( -9.310 -0.602 2.230) 9.592 4.417 ( -8.909 -1.996 -1.552) 9.261 4.667 ( -14.865 0.604 3.463) 15.275 4.760 ( -14.779 0.921 -5.744) 15.883 5.381 ( 19.748 -0.588 10.340) 22.299 5.547 ( 17.337 -0.952 -5.500) 18.213 6.132 ( -11.151 4.212 5.553) 13.150 6.182 ( -10.004 0.620 0.206) 10.025 6.628 ( -12.147 2.403 6.334) 13.908 6.669 ( -10.187 -0.801 2.731) 10.577 7.648 ( 3.337 2.849 8.925) 9.945 7.755 ( 13.824 3.147 -1.859) 14.299 8.132 ( 7.416 0.684 13.361) 15.297 8.149 ( 1.467 -2.255 14.478) 14.725 8.247 ( 12.671 1.561 3.600) 13.265 8.444 ( 12.332 -2.324 -4.721) 13.408 8.725 ( 2.938 2.734 -2.074) 4.517 8.834 ( 0.700 -6.024 -5.881) 8.448 8.959 ( -10.094 1.594 12.026) 15.782 9.158 ( -18.754 -0.915 -0.324) 18.779 9.724 ( 0.969 5.276 -6.001) 8.049 9.817 ( 0.215 -3.518 -11.549) 12.075 10.146 ( 12.172 -1.128 11.147) 16.544 10.344 ( 6.487 -0.248 -1.876) 6.758 10.626 ( 23.703 2.758 8.948) 25.485 10.718 ( -14.687 -2.004 12.524) 19.406 10.812 ( 18.787 -0.384 8.486) 20.618 11.115 ( -17.185 -0.934 -0.300) 17.213 11.324 ( -1.977 3.730 -17.789) 18.283 11.423 ( -6.047 -2.844 -14.610) 16.066 11.704 ( 12.347 -1.911 1.739) 12.614 11.842 ( 14.816 -5.630 -10.382) 18.947 12.109 ( 7.646 -1.944 5.323) 9.517 12.215 ( 3.810 0.330 -3.378) 5.102 12.912 ( 0.949 1.503 2.527) 3.090 13.037 ( -7.375 2.473 -4.164) 8.823 13.151 ( -0.305 2.961 -3.726) 4.769 13.203 ( -10.599 -1.852 -0.697) 10.782 13.364 ( -3.508 3.209 -8.877) 10.070 13.508 ( -20.839 -3.565 -17.211) 27.261 15.173 ( 0.567 1.483 9.988) 10.113 15.250 ( -4.683 -0.395 8.704) 9.892 15.529 ( -8.654 3.919 5.216) 10.837 15.783 ( 1.495 -2.546 -23.529) 23.713 16.961 ( -9.027 -0.124 3.096) 9.544 17.084 ( -10.143 -0.275 -9.130) 13.650 17.858 ( 2.004 10.736 17.850) 20.926 17.980 ( 0.113 1.891 13.276) 13.411 18.369 ( 4.901 -11.242 15.165) 19.503 18.582 ( 13.256 -2.342 2.423) 13.677 19.342 ( -1.406 0.946 -17.744) 17.825 19.418 ( 3.575 0.949 -24.573) 24.850 19.830 ( 6.220 0.303 4.066) 7.437 19.977 ( 5.967 -4.091 -8.132) 10.885 20.653 ( 0.764 0.465 0.188) 0.914 20.719 ( 0.801 0.298 -5.922) 5.984 21.006 ( 0.599 0.881 -1.010) 1.468 21.031 ( 1.572 -1.249 -3.244) 3.815 21.713 ( 2.386 0.915 -1.135) 2.796 21.731 ( 1.512 -0.270 -2.945) 3.322 22.278 ( -2.626 0.538 4.433) 5.180 22.355 ( -1.662 0.875 -2.677) 3.270 22.603 ( 1.526 0.211 1.609) 2.227 22.627 ( 2.371 -1.268 -0.410) 2.720 22.982 ( -3.121 1.079 0.473) 3.336 23.001 ( -3.938 1.335 -1.436) 4.399 23.115 ( -1.588 -1.483 4.043) 4.590 23.204 ( -2.978 -0.452 -4.148) 5.126 23.528 ( 4.270 -1.393 2.148) 4.979 23.566 ( 1.511 -0.702 -1.790) 2.446 23.979 ( -6.550 3.020 5.332) 8.969 24.033 ( -7.486 2.781 -0.117) 7.987 24.602 ( 6.674 -0.056 9.936) 11.969 24.764 ( 5.560 0.311 -6.589) 8.627 25.080 ( -4.141 1.322 6.250) 7.614 25.148 ( -8.311 -1.092 1.582) 8.531 25.321 ( -2.891 -0.851 8.494) 9.013 25.537 ( -2.983 -2.012 -10.151) 10.770 27.208 ( 9.439 -0.756 3.594) 10.129 27.273 ( 10.193 -5.280 -2.931) 11.848 27.990 ( -2.280 3.726 6.869) 8.141 28.066 ( 0.192 3.169 -0.852) 3.287 28.368 ( -6.522 4.088 5.244) 9.314 28.426 ( -13.894 0.379 0.655) 13.915 28.825 ( 2.051 -0.627 6.116) 6.481 28.994 ( -0.873 -5.633 -9.821) 11.355 29.583 ( 9.098 0.509 11.672) 14.808 29.704 ( 12.729 -0.957 0.237) 12.767 29.964 ( -6.279 0.616 9.632) 11.514 30.102 ( -13.518 -0.004 -4.793) 14.343 32.745 ( 14.128 0.491 3.923) 14.671 32.858 ( 16.403 -0.485 -5.969) 17.462 33.227 ( 1.203 0.212 10.738) 10.807 33.390 ( -14.964 0.463 -5.454) 15.934 33.902 ( 4.127 0.450 -1.890) 4.561 33.977 ( -10.444 -0.820 -7.909) 13.126 105.539 ( 0.345 -0.060 2.077) 2.107 105.548 ( -0.227 0.020 1.211) 1.232 106.815 ( -0.061 -0.003 -0.347) 0.353 106.830 ( 0.058 -0.014 -1.835) 1.836 ======================= Grid point 265 (87/96) ======================= q-point: (-0.57 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( 2.459 -0.105 2.669) 3.630 4.226 ( 4.335 -0.241 -2.917) 5.231 4.413 ( 3.096 -2.192 6.272) 7.330 4.509 ( 15.035 -4.301 -1.929) 15.757 4.591 ( 7.098 -3.616 -0.987) 8.026 4.627 ( 2.769 0.038 -5.532) 6.187 5.576 ( -5.147 8.965 9.023) 13.722 5.675 ( 2.680 4.990 0.134) 5.666 6.003 ( 2.398 0.917 7.434) 7.865 6.106 ( 4.107 -2.086 -1.869) 4.971 6.517 ( -0.440 -2.972 9.532) 9.994 6.630 ( 4.620 -1.997 -0.776) 5.092 7.558 ( -11.136 0.055 9.341) 14.535 7.705 ( -11.397 2.719 -4.770) 12.650 8.013 ( -18.598 -1.934 6.238) 19.711 8.092 ( -14.856 -1.825 -1.374) 15.031 8.456 ( -1.661 1.629 15.823) 15.994 8.484 ( 0.869 1.924 11.232) 11.428 8.684 ( -6.065 -4.264 7.224) 10.351 8.818 ( -12.209 -3.263 -9.230) 15.649 8.952 ( 6.663 -0.148 5.626) 8.722 9.108 ( 15.584 -1.068 -9.955) 18.523 9.672 ( 0.275 3.482 1.495) 3.799 9.848 ( 0.326 -2.079 -11.621) 11.810 10.209 ( -17.265 1.283 11.863) 20.987 10.261 ( -6.784 -2.809 10.933) 13.170 10.499 ( -10.766 -5.658 7.295) 14.182 10.816 ( -8.031 3.090 -13.600) 16.094 10.937 ( 8.145 6.475 0.531) 10.419 11.125 ( 16.159 -1.311 -13.125) 20.859 11.331 ( 11.706 3.299 6.542) 13.810 11.485 ( 17.614 1.192 -3.922) 18.085 11.882 ( -4.639 2.039 5.370) 7.383 12.073 ( 0.078 3.711 -9.205) 9.925 12.171 ( 3.013 1.489 2.919) 4.452 12.263 ( 2.402 0.648 -3.814) 4.553 12.870 ( -1.199 -0.880 -1.871) 2.390 12.928 ( 2.562 1.485 -5.272) 6.046 13.018 ( -4.617 -2.713 -1.101) 5.467 13.146 ( -7.078 -2.611 -12.965) 15.000 13.351 ( 8.809 0.529 0.877) 8.868 13.541 ( 13.405 -2.196 -16.584) 21.437 15.141 ( -2.376 0.650 10.556) 10.839 15.212 ( -1.060 -1.973 7.470) 7.799 15.412 ( -3.123 -0.300 11.688) 12.101 15.830 ( 2.407 -0.761 -27.542) 27.658 16.891 ( -1.422 -3.619 -0.548) 3.927 16.987 ( -3.885 -4.150 -11.647) 12.960 17.789 ( 1.181 8.803 24.764) 26.309 17.933 ( -2.887 1.313 16.831) 17.128 18.501 ( -1.074 -7.250 12.706) 14.668 18.746 ( 5.806 2.901 -4.413) 7.848 19.289 ( -3.971 -0.315 -15.746) 16.242 19.415 ( -2.062 1.422 -24.785) 24.911 19.906 ( 4.556 2.743 7.606) 9.281 20.083 ( 3.961 -1.110 -9.012) 9.907 20.645 ( -1.187 0.435 -0.089) 1.268 20.704 ( -2.080 0.041 -5.372) 5.761 21.005 ( 0.378 0.797 0.949) 1.295 21.077 ( 2.993 0.796 -5.685) 6.474 21.699 ( -3.718 0.356 -0.413) 3.758 21.732 ( -2.587 0.210 -3.342) 4.231 22.248 ( -0.564 -0.643 3.555) 3.656 22.315 ( -1.570 -0.095 -2.854) 3.259 22.646 ( 2.819 1.899 3.756) 5.066 22.689 ( 4.350 1.504 -0.107) 4.604 22.929 ( -2.128 -0.916 -0.071) 2.318 22.938 ( -2.312 -1.442 -0.937) 2.882 23.149 ( 3.297 -0.243 0.631) 3.366 23.194 ( 0.665 -1.221 -3.193) 3.483 23.593 ( 0.589 -0.079 1.542) 1.652 23.610 ( 2.263 -0.142 -0.257) 2.282 23.810 ( -10.048 -1.383 5.013) 11.314 23.867 ( -8.303 -3.067 -0.690) 8.878 24.601 ( -3.716 -0.197 7.502) 8.374 24.736 ( -5.289 -0.684 -6.247) 8.214 25.031 ( -3.785 -0.773 4.504) 5.934 25.090 ( -2.943 -2.832 -1.179) 4.251 25.465 ( 19.792 4.395 13.317) 24.256 25.681 ( 18.795 3.384 -7.891) 20.663 27.297 ( -2.118 -0.011 8.279) 8.546 27.417 ( 0.491 -1.940 -3.590) 4.111 27.899 ( -1.556 1.626 4.314) 4.866 27.960 ( -3.936 5.667 -2.442) 7.320 28.248 ( -7.915 -4.756 1.407) 9.341 28.288 ( -4.843 -2.651 -1.414) 5.700 28.919 ( 7.409 1.298 9.033) 11.755 29.065 ( 4.183 -3.393 -5.616) 7.781 29.618 ( -2.660 2.687 15.076) 15.543 29.806 ( -4.477 2.408 -0.150) 5.085 29.945 ( 8.122 1.395 5.470) 9.891 30.066 ( 9.383 -2.491 -5.041) 10.939 32.719 ( -15.316 -0.460 5.298) 16.213 32.883 ( -17.726 0.447 -10.763) 20.742 33.206 ( -0.854 -0.601 11.132) 11.181 33.363 ( 11.717 -0.497 -3.055) 12.119 33.872 ( -1.953 -0.657 2.723) 3.415 34.034 ( 11.317 1.309 -11.743) 16.361 105.544 ( -0.094 0.119 1.814) 1.820 105.546 ( 0.327 -0.046 1.564) 1.599 106.815 ( 0.009 -0.020 -0.280) 0.281 106.831 ( 0.135 0.047 -1.943) 1.949 ======================= Grid point 266 (88/96) ======================= q-point: (-0.43 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 8.345 3.093 13.100) 15.837 4.413 ( 16.680 -2.940 -2.923) 17.188 4.625 ( 19.212 -0.610 2.808) 19.426 4.708 ( 12.725 1.708 -1.269) 12.902 4.868 ( 18.779 -3.436 1.019) 19.118 4.919 ( 19.111 -2.308 -4.639) 19.801 5.316 ( -4.285 11.054 9.572) 15.237 5.508 ( -6.634 11.457 -7.824) 15.378 6.152 ( 5.392 -7.586 7.625) 12.032 6.220 ( 2.672 -6.256 0.443) 6.817 6.627 ( 2.467 -11.410 13.483) 17.834 6.802 ( 8.828 -2.178 -2.175) 9.349 7.252 ( -27.558 -1.589 7.142) 28.513 7.356 ( -23.553 -0.532 -3.075) 23.759 7.768 ( -8.673 -1.869 4.643) 10.014 7.869 ( -14.294 -2.971 -5.985) 15.779 8.197 ( -22.580 -7.611 10.580) 26.071 8.410 ( -21.245 -4.682 -6.286) 22.645 8.564 ( -1.277 2.545 11.866) 12.203 8.740 ( 2.561 4.905 -3.801) 6.713 9.084 ( 7.224 0.669 14.676) 16.371 9.306 ( -1.639 -5.034 -6.051) 8.040 9.668 ( 2.779 1.279 7.910) 8.480 9.828 ( -1.780 -0.592 -6.017) 6.302 10.035 ( -4.957 1.465 9.618) 10.919 10.197 ( -0.245 -2.683 9.950) 10.308 10.323 ( -10.895 -0.575 -9.344) 14.364 10.519 ( -16.400 5.450 -8.934) 19.455 11.010 ( -3.319 7.700 5.533) 10.046 11.235 ( -8.508 5.751 -11.573) 15.473 11.500 ( 9.626 8.068 3.877) 13.145 11.706 ( 10.302 5.035 -8.375) 14.199 11.802 ( 7.481 2.302 6.208) 9.990 12.003 ( 8.141 3.241 -8.226) 12.019 12.165 ( 0.102 3.737 1.303) 3.959 12.231 ( 3.245 7.232 -5.847) 9.850 12.786 ( -8.571 1.441 -3.769) 9.473 12.899 ( -8.315 -1.712 -13.532) 15.975 13.159 ( 13.917 -5.173 5.212) 15.735 13.313 ( 16.611 -7.430 -5.643) 19.052 13.553 ( 12.587 -0.871 4.669) 13.454 13.787 ( 11.122 -4.383 -16.781) 20.604 15.104 ( -1.629 -1.080 11.914) 12.073 15.259 ( 2.983 -3.441 5.560) 7.187 15.422 ( 0.061 -6.060 10.655) 12.258 15.885 ( 4.570 0.306 -27.304) 27.685 16.963 ( 1.347 -8.853 -0.981) 9.008 17.040 ( 2.048 -10.649 -9.637) 14.508 17.742 ( 2.520 6.617 25.661) 26.620 17.883 ( -1.625 0.239 17.062) 17.141 18.450 ( -8.227 0.968 16.775) 18.708 18.707 ( -2.008 11.054 -8.467) 14.068 19.228 ( -5.880 -2.569 -17.552) 18.688 19.347 ( -3.759 1.146 -26.617) 26.905 19.915 ( 2.443 8.594 9.310) 12.904 20.114 ( 1.755 5.834 -10.169) 11.854 20.613 ( -2.360 -0.270 -0.622) 2.456 20.657 ( -3.862 -0.703 -4.788) 6.191 21.005 ( 1.011 1.225 2.290) 2.786 21.105 ( 2.317 2.334 -7.315) 8.021 21.601 ( -7.789 -2.057 1.860) 8.268 21.650 ( -6.418 -0.951 -2.658) 7.012 22.263 ( 0.379 -1.706 3.123) 3.579 22.313 ( -0.482 -1.994 -1.633) 2.622 22.659 ( 2.617 2.408 3.108) 4.723 22.716 ( 1.863 1.513 -2.451) 3.430 22.950 ( 1.322 -4.769 1.697) 5.232 22.968 ( 2.459 -2.041 -0.583) 3.249 23.191 ( 1.502 -0.165 1.025) 1.826 23.234 ( 2.736 0.026 -3.525) 4.462 23.529 ( -5.424 1.481 4.134) 6.979 23.597 ( 0.247 0.759 -2.794) 2.906 23.795 ( -0.391 -6.208 3.402) 7.090 23.840 ( -3.517 -7.401 -0.740) 8.227 24.500 ( -7.454 2.544 7.384) 10.796 24.622 ( -8.401 1.246 -5.214) 9.966 25.042 ( 3.297 -4.361 5.726) 7.917 25.147 ( 4.837 -7.647 -4.480) 10.097 25.771 ( 23.620 9.179 13.946) 28.925 25.985 ( 22.520 7.248 -6.970) 24.663 27.128 ( -12.546 4.796 9.462) 16.430 27.280 ( -12.629 6.222 -5.515) 15.121 27.904 ( -0.461 -2.450 5.666) 6.190 27.958 ( 2.457 -2.542 1.722) 3.932 28.193 ( -5.655 -4.303 1.425) 7.247 28.308 ( 2.021 -11.334 -8.608) 14.375 29.014 ( 5.722 1.705 10.818) 12.356 29.154 ( 1.796 -2.650 -2.963) 4.362 29.507 ( -4.063 7.571 14.141) 16.547 29.712 ( 1.151 7.992 -4.485) 9.237 30.093 ( 9.435 -0.210 11.594) 14.949 30.318 ( 16.287 -3.277 -9.172) 18.977 32.370 ( -25.124 -0.561 2.605) 25.265 32.479 ( -27.448 -0.561 -7.895) 28.566 33.235 ( 1.096 -0.495 12.832) 12.888 33.484 ( 1.484 -1.473 -11.605) 11.792 33.941 ( 8.517 -0.106 12.502) 15.128 34.209 ( 10.917 1.722 -13.785) 17.669 105.540 ( -0.102 0.240 2.268) 2.283 105.553 ( 0.344 0.010 1.052) 1.107 106.815 ( 0.055 -0.033 -0.253) 0.261 106.833 ( 0.155 0.131 -1.996) 2.006 ======================= Grid point 267 (89/96) ======================= q-point: (-0.29 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.402 ( 16.309 7.679 25.643) 31.345 4.644 ( 2.638 11.117 10.572) 15.566 4.819 ( 13.653 0.006 1.241) 13.709 4.960 ( 13.330 0.971 -2.396) 13.578 5.062 ( 6.262 3.483 -5.600) 9.094 5.154 ( 11.290 1.564 -8.375) 14.144 5.388 ( 11.080 3.013 3.647) 12.048 5.496 ( 14.871 3.270 -6.858) 16.699 6.193 ( -10.331 -4.374 7.497) 13.494 6.273 ( -5.386 -4.740 -0.287) 7.180 6.695 ( -8.511 -17.847 19.675) 27.893 6.853 ( -1.280 -8.475 7.227) 11.212 6.998 ( -3.051 -9.448 -4.958) 11.098 7.185 ( -2.915 -14.086 -14.807) 20.644 7.536 ( -26.574 -6.774 8.265) 28.642 7.713 ( -9.783 -1.710 -5.702) 11.452 8.058 ( -9.003 -8.020 0.195) 12.059 8.120 ( -7.377 -5.976 -3.535) 10.130 8.568 ( 4.616 6.714 11.790) 14.332 8.745 ( 4.506 7.583 -5.550) 10.422 9.120 ( -3.929 -1.593 17.405) 17.914 9.224 ( -6.992 -4.224 7.004) 10.761 9.644 ( -11.166 12.051 8.716) 18.598 9.737 ( -3.374 8.091 -1.681) 8.926 9.938 ( -4.255 -0.331 9.285) 10.219 10.099 ( -1.343 -0.418 3.039) 3.349 10.346 ( 6.437 -3.677 -7.831) 10.784 10.431 ( 5.056 -1.428 -8.486) 9.981 10.702 ( -16.985 9.474 -0.984) 19.473 10.882 ( -16.097 10.627 -18.206) 26.524 11.516 ( 0.562 13.364 10.819) 17.204 11.688 ( -1.414 14.672 -4.104) 15.301 11.896 ( 6.781 1.276 6.238) 9.302 12.087 ( 4.582 5.763 -10.036) 12.447 12.270 ( 14.131 0.056 -1.952) 14.265 12.401 ( 13.830 -1.413 -14.070) 19.779 12.637 ( -7.748 0.059 -2.670) 8.196 12.774 ( -6.441 -1.120 -13.593) 15.084 13.450 ( 12.512 -5.771 10.436) 17.285 13.581 ( 7.473 -4.239 6.974) 11.065 13.745 ( 8.750 -2.000 -3.660) 9.693 13.948 ( 1.924 -6.499 -16.324) 17.675 15.119 ( 1.753 -0.831 8.961) 9.169 15.360 ( 4.620 -4.892 4.782) 8.255 15.489 ( -1.871 -9.113 5.966) 11.052 15.987 ( 7.075 -0.848 -23.766) 24.812 17.054 ( -3.698 -13.613 7.437) 15.946 17.216 ( 2.888 -13.791 -7.476) 15.951 17.773 ( 7.358 3.071 24.205) 25.484 17.904 ( 5.606 1.068 14.842) 15.901 18.257 ( -10.973 3.849 19.353) 22.578 18.508 ( -5.709 15.400 -12.623) 20.714 19.112 ( -8.453 1.229 -17.073) 19.091 19.294 ( -2.066 1.431 -27.530) 27.645 19.820 ( -0.202 13.849 7.275) 15.645 20.027 ( -0.747 12.895 -12.412) 17.913 20.584 ( -1.887 -1.277 -1.082) 2.522 20.603 ( -3.184 -1.161 -2.995) 4.522 21.017 ( 1.394 1.019 1.825) 2.512 21.113 ( 1.697 3.054 -7.504) 8.278 21.527 ( -5.130 -5.736 3.136) 8.309 21.577 ( -4.479 -3.465 -1.748) 5.927 22.282 ( -0.192 -2.157 2.994) 3.695 22.323 ( -0.657 -2.049 -1.070) 2.403 22.713 ( 5.515 -0.241 3.158) 6.360 22.782 ( 6.257 -2.169 -2.941) 7.246 23.005 ( -3.197 -7.542 1.822) 8.392 23.031 ( 0.375 -5.734 0.163) 5.749 23.224 ( 2.469 0.647 1.857) 3.157 23.272 ( 4.209 1.266 -2.738) 5.178 23.463 ( -1.373 2.096 5.937) 6.444 23.593 ( -1.383 0.572 -6.261) 6.437 23.807 ( -3.503 -2.507 2.461) 4.962 23.844 ( -2.748 -4.018 -1.024) 4.975 24.335 ( -6.347 5.800 8.127) 11.831 24.470 ( -5.963 3.773 -5.750) 9.103 25.197 ( 5.766 -9.764 8.769) 14.335 25.354 ( 6.615 -12.625 -6.267) 15.570 26.032 ( 18.965 11.243 13.326) 25.762 26.247 ( 18.173 9.416 -7.108) 21.666 26.871 ( -12.238 4.512 6.712) 14.669 26.988 ( -12.958 7.325 -4.889) 15.667 27.874 ( -3.492 -0.796 6.699) 7.596 27.982 ( -1.631 2.071 -3.679) 4.525 28.226 ( 0.860 -12.044 12.650) 17.488 28.510 ( 4.208 -16.589 -14.351) 22.335 29.073 ( 2.321 -0.672 9.944) 10.234 29.167 ( -2.311 -2.735 0.727) 3.654 29.358 ( -2.213 12.809 15.973) 20.594 29.665 ( 5.039 16.062 -13.290) 21.448 30.256 ( 8.055 -3.069 20.833) 22.546 30.636 ( 16.837 -4.450 -16.274) 23.835 31.986 ( -19.901 -0.428 0.638) 19.916 32.050 ( -23.671 -0.283 -5.766) 24.364 33.244 ( -0.193 -0.568 13.406) 13.419 33.487 ( -1.425 -1.247 -9.901) 10.081 34.080 ( 6.632 -0.206 11.868) 13.597 34.338 ( 6.350 1.600 -13.137) 14.679 105.536 ( -0.063 0.302 2.599) 2.617 105.557 ( 0.204 0.054 0.552) 0.591 106.817 ( 0.052 -0.051 -0.283) 0.292 106.834 ( 0.098 0.190 -1.959) 1.970 ======================= Grid point 268 (90/96) ======================= q-point: (-0.14 0.14 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.511 ( 0.000 10.441 20.803) 23.276 4.522 ( 0.000 7.980 38.042) 38.870 4.809 ( 0.000 8.803 -9.683) 13.086 5.130 ( -0.000 -1.873 2.474) 3.102 5.190 ( 0.000 3.658 -27.687) 27.928 5.191 ( 0.000 0.842 -3.393) 3.496 5.472 ( -0.000 -1.084 6.404) 6.495 5.606 ( -0.000 -1.542 -6.631) 6.808 6.061 ( 0.000 1.401 6.664) 6.809 6.186 ( 0.000 4.924 -5.914) 7.695 6.817 ( -0.000 -21.952 22.904) 31.725 7.033 ( -0.000 -13.589 9.418) 16.534 7.182 ( -0.000 -9.164 13.095) 15.983 7.320 ( -0.000 -17.046 -7.740) 18.721 7.429 ( -0.000 -8.934 -11.308) 14.411 7.534 ( -0.000 -18.590 -20.365) 27.574 8.034 ( 0.000 2.891 6.199) 6.840 8.117 ( 0.000 2.207 -2.545) 3.369 8.558 ( 0.000 5.042 10.988) 12.089 8.721 ( 0.000 6.582 -6.188) 9.034 9.058 ( 0.000 1.155 21.122) 21.154 9.206 ( -0.000 -3.742 7.365) 8.261 9.343 ( 0.000 14.293 13.586) 19.720 9.571 ( 0.000 12.047 -9.604) 15.406 9.950 ( -0.000 -3.659 16.187) 16.595 10.169 ( -0.000 -2.129 0.981) 2.344 10.427 ( 0.000 5.993 -0.948) 6.067 10.462 ( -0.000 -4.556 -8.761) 9.875 10.532 ( -0.000 -1.683 -10.918) 11.047 10.623 ( 0.000 12.195 -18.222) 21.926 11.361 ( 0.000 12.639 12.100) 17.497 11.493 ( 0.000 17.560 -0.877) 17.582 11.967 ( -0.000 -0.927 4.172) 4.273 12.093 ( 0.000 4.943 -7.992) 9.397 12.413 ( -0.000 -1.312 -14.784) 14.842 12.538 ( -0.000 -1.398 -27.104) 27.140 12.554 ( -0.000 -0.641 10.928) 10.947 12.746 ( -0.000 -1.962 -8.427) 8.652 13.607 ( -0.000 -0.479 9.925) 9.937 13.670 ( -0.000 -6.760 17.775) 19.017 13.833 ( 0.000 0.572 -7.468) 7.490 14.012 ( -0.000 -6.546 -16.426) 17.683 15.143 ( -0.000 -0.306 4.333) 4.344 15.444 ( 0.000 0.280 -24.718) 24.719 15.571 ( -0.000 -15.062 30.173) 33.723 16.069 ( 0.000 0.167 -17.130) 17.131 17.129 ( -0.000 -12.181 14.839) 19.199 17.352 ( -0.000 -10.985 -5.019) 12.078 17.876 ( -0.000 -3.090 28.015) 28.185 17.982 ( 0.000 5.898 9.765) 11.408 18.109 ( -0.000 -4.172 16.961) 17.466 18.291 ( 0.000 15.462 -18.766) 24.315 18.993 ( 0.000 4.491 -13.600) 14.322 19.231 ( 0.000 6.724 -20.461) 21.537 19.701 ( 0.000 8.851 -1.413) 8.963 19.889 ( 0.000 13.183 -15.335) 20.222 20.578 ( -0.000 -1.306 -1.138) 1.732 20.588 ( -0.000 -0.827 -2.121) 2.277 21.021 ( 0.000 0.770 0.912) 1.193 21.099 ( 0.000 2.839 -6.839) 7.405 21.539 ( -0.000 -5.150 2.572) 5.757 21.572 ( -0.000 -3.071 -0.737) 3.159 22.299 ( -0.000 -1.967 2.458) 3.148 22.333 ( -0.000 -1.417 -0.929) 1.695 22.793 ( -0.000 -1.570 4.420) 4.690 22.912 ( -0.000 -2.651 -7.392) 7.853 23.013 ( -0.000 -9.614 6.213) 11.447 23.091 ( -0.000 -8.150 -1.099) 8.224 23.239 ( 0.000 1.356 5.062) 5.241 23.336 ( 0.000 1.534 -4.571) 4.821 23.413 ( 0.000 2.634 7.692) 8.130 23.553 ( 0.000 0.718 -6.035) 6.078 23.769 ( 0.000 0.874 3.017) 3.141 23.834 ( -0.000 -0.614 -3.266) 3.323 24.227 ( 0.000 5.339 8.894) 10.374 24.384 ( 0.000 3.702 -7.032) 7.947 25.356 ( -0.000 -11.599 10.939) 15.944 25.535 ( -0.000 -11.908 -5.518) 13.125 26.114 ( 0.000 9.580 11.485) 14.956 26.334 ( 0.000 11.203 -8.505) 14.065 26.706 ( 0.000 2.258 4.618) 5.141 26.795 ( 0.000 6.250 -4.108) 7.479 27.845 ( -0.000 -0.558 5.447) 5.476 27.933 ( 0.000 3.013 -3.180) 4.380 28.368 ( -0.000 -14.087 17.491) 22.459 28.716 ( -0.000 -18.439 -16.152) 24.513 29.112 ( -0.000 -2.867 7.779) 8.290 29.168 ( -0.000 -2.282 1.998) 3.033 29.194 ( 0.000 15.987 17.155) 23.449 29.540 ( 0.000 19.346 -16.231) 25.253 30.367 ( -0.000 -3.343 25.842) 26.058 30.856 ( -0.000 -4.334 -22.871) 23.278 31.800 ( -0.000 -0.268 -0.204) 0.336 31.824 ( 0.000 0.721 -2.552) 2.652 33.247 ( -0.000 -0.519 13.748) 13.758 33.482 ( -0.000 -0.863 -8.510) 8.554 34.138 ( -0.000 -0.275 10.399) 10.402 34.378 ( 0.000 1.269 -12.407) 12.472 105.533 ( 0.000 0.258 2.749) 2.762 105.558 ( 0.000 0.056 0.246) 0.253 106.818 ( -0.000 -0.063 -0.365) 0.370 106.833 ( 0.000 0.186 -1.842) 1.852 ======================= Grid point 271 (91/96) ======================= q-point: ( 0.29 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( 1.190 -0.000 2.600) 2.860 4.224 ( 3.960 -0.000 -2.730) 4.810 4.375 ( 5.519 -0.000 6.858) 8.803 4.454 ( 15.706 -0.000 -1.817) 15.810 4.562 ( 4.511 -0.000 -0.143) 4.514 4.625 ( 1.443 -0.000 -5.949) 6.122 5.670 ( 11.343 -0.000 7.427) 13.558 5.739 ( 2.145 -0.000 0.440) 2.190 6.040 ( -2.551 0.000 4.632) 5.288 6.065 ( -3.460 0.000 1.520) 3.779 6.484 ( -6.020 0.000 8.832) 10.688 6.607 ( 6.128 -0.000 -1.393) 6.284 7.565 ( -12.191 0.000 10.589) 16.148 7.745 ( -9.403 0.000 -7.707) 12.159 8.025 ( -16.358 0.000 7.149) 17.852 8.039 ( -23.259 0.000 6.702) 24.205 8.468 ( -11.504 0.000 5.469) 12.738 8.488 ( 8.441 -0.000 14.817) 17.053 8.641 ( -9.871 0.000 -2.390) 10.157 8.790 ( -3.750 0.000 -2.666) 4.601 8.937 ( 9.493 -0.000 10.763) 14.352 9.105 ( 13.090 -0.000 -8.734) 15.736 9.746 ( -2.361 0.000 -3.424) 4.159 9.794 ( 0.383 -0.000 -11.019) 11.026 10.225 ( -18.366 0.000 9.038) 20.469 10.231 ( -6.884 0.000 12.121) 13.939 10.430 ( -7.953 0.000 11.444) 13.936 10.850 ( -8.662 0.000 -17.531) 19.554 11.025 ( 6.398 -0.000 -0.904) 6.462 11.091 ( 20.297 -0.000 -10.677) 22.934 11.371 ( 12.068 -0.000 6.829) 13.867 11.497 ( 18.327 -0.000 -1.132) 18.362 11.892 ( -0.035 0.000 5.108) 5.108 12.109 ( 7.283 -0.000 -10.872) 13.086 12.193 ( 5.634 -0.000 0.847) 5.697 12.259 ( 3.735 -0.000 -0.844) 3.829 12.873 ( -4.219 0.000 -1.112) 4.363 12.921 ( 4.563 -0.000 1.114) 4.697 13.034 ( -16.505 0.000 -10.919) 19.790 13.100 ( -3.423 0.000 -8.990) 9.619 13.357 ( 8.707 -0.000 -1.808) 8.893 13.512 ( 12.436 -0.000 -15.720) 20.045 15.161 ( -3.347 0.000 11.399) 11.880 15.180 ( -2.098 0.000 9.333) 9.566 15.416 ( -5.997 0.000 11.010) 12.537 15.818 ( 3.372 -0.000 -28.505) 28.703 16.852 ( -3.584 0.000 -1.143) 3.762 16.943 ( -6.437 0.000 -10.820) 12.590 17.917 ( -0.379 0.000 18.488) 18.492 17.944 ( -4.403 0.000 20.955) 21.412 18.397 ( 3.983 -0.000 17.895) 18.333 18.767 ( 9.115 -0.000 -9.319) 13.035 19.292 ( -4.794 0.000 -13.775) 14.586 19.431 ( -2.165 0.000 -24.989) 25.082 19.937 ( 6.253 -0.000 2.945) 6.912 20.060 ( 6.140 -0.000 -6.191) 8.720 20.651 ( -1.319 0.000 -0.088) 1.322 20.705 ( -2.292 0.000 -4.950) 5.455 21.016 ( 0.857 -0.000 1.160) 1.442 21.084 ( 3.947 -0.000 -5.079) 6.432 21.703 ( -4.554 0.000 -0.676) 4.604 21.736 ( -1.650 0.000 -3.395) 3.774 22.242 ( -1.360 0.000 3.908) 4.137 22.316 ( -2.824 0.000 -3.262) 4.314 22.668 ( 5.644 -0.000 3.759) 6.782 22.704 ( 4.536 -0.000 0.890) 4.623 22.916 ( -5.968 0.000 -0.209) 5.972 22.927 ( -1.857 0.000 -1.309) 2.272 23.145 ( 4.157 -0.000 -0.023) 4.157 23.179 ( 0.621 -0.000 -2.723) 2.793 23.589 ( 3.260 -0.000 1.414) 3.553 23.597 ( 1.458 -0.000 0.486) 1.537 23.817 ( -11.264 0.000 2.461) 11.530 23.830 ( -14.939 0.000 0.933) 14.968 24.599 ( -3.460 0.000 7.072) 7.873 24.729 ( -5.739 0.000 -6.262) 8.494 25.026 ( -3.231 0.000 2.973) 4.391 25.057 ( -4.375 0.000 -0.083) 4.376 25.510 ( 22.407 -0.000 13.666) 26.245 25.715 ( 20.745 -0.000 -6.559) 21.757 27.294 ( 0.040 -0.000 5.650) 5.650 27.378 ( 4.687 -0.000 -3.424) 5.805 27.947 ( -5.440 0.000 7.573) 9.324 28.041 ( -3.650 0.000 -3.180) 4.840 28.180 ( -13.730 0.000 3.255) 14.110 28.255 ( -5.895 0.000 -2.627) 6.454 28.941 ( 9.047 -0.000 4.841) 10.260 29.011 ( 4.188 -0.000 -3.127) 5.226 29.651 ( -0.348 0.000 16.605) 16.608 29.822 ( -2.512 0.000 4.662) 5.296 29.994 ( 8.651 -0.000 0.750) 8.684 30.012 ( 7.640 -0.000 -6.447) 9.997 32.715 ( -15.696 0.000 5.453) 16.617 32.888 ( -17.861 0.000 -11.636) 21.317 33.200 ( -0.889 0.000 11.255) 11.290 33.358 ( 10.931 -0.000 -2.825) 11.290 33.866 ( -1.358 0.000 3.916) 4.144 34.047 ( 11.466 -0.000 -12.534) 16.987 105.545 ( -0.110 0.000 1.704) 1.707 105.546 ( 0.430 -0.000 1.693) 1.747 106.814 ( 0.003 -0.000 -0.245) 0.245 106.832 ( 0.175 -0.000 -1.984) 1.992 ======================= Grid point 272 (92/96) ======================= q-point: (-0.57 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( 12.311 0.847 7.749) 14.572 4.357 ( 13.704 -1.992 1.109) 13.892 4.601 ( 19.462 -1.343 6.256) 20.487 4.693 ( 14.898 -1.546 -1.390) 15.043 4.800 ( 20.509 -2.090 2.228) 20.736 4.899 ( 25.427 -0.675 -7.521) 26.525 5.584 ( -6.443 13.894 8.063) 17.308 5.713 ( -2.184 6.906 -3.600) 8.088 6.022 ( -0.965 -4.331 5.522) 7.083 6.086 ( -0.713 -7.561 -0.593) 7.618 6.454 ( -3.773 -5.588 17.099) 18.380 6.764 ( 5.977 -1.430 -10.914) 12.525 7.240 ( -28.756 0.486 12.148) 31.220 7.396 ( -32.595 2.716 -1.363) 32.736 7.747 ( -2.315 -0.197 2.885) 3.705 7.805 ( -6.554 -4.042 -2.235) 8.018 8.105 ( -29.947 0.219 4.301) 30.255 8.230 ( -32.835 -9.585 -5.843) 34.701 8.685 ( 8.335 5.513 12.261) 15.818 8.802 ( 5.045 1.222 4.007) 6.557 9.111 ( 6.600 0.966 11.781) 13.538 9.240 ( -2.054 -1.694 -4.290) 5.049 9.699 ( 0.999 2.838 0.741) 3.099 9.782 ( -0.412 -3.729 -6.390) 7.410 10.063 ( -1.940 1.627 8.608) 8.973 10.132 ( -2.819 -3.535 11.950) 12.777 10.304 ( -7.212 -0.764 -3.374) 7.999 10.601 ( -17.109 2.452 -16.854) 24.140 11.155 ( 4.170 6.029 4.339) 8.519 11.327 ( -1.630 2.575 -5.864) 6.608 11.592 ( 12.656 2.229 -4.250) 13.535 11.736 ( 8.018 -0.794 -8.043) 11.385 11.820 ( 4.109 0.310 11.041) 11.785 12.057 ( 1.086 1.612 -6.181) 6.479 12.257 ( 3.827 5.851 0.689) 7.025 12.337 ( 4.502 1.061 -5.301) 7.035 12.836 ( -6.552 2.440 -1.880) 7.240 12.893 ( 0.707 0.897 -4.564) 4.704 13.095 ( 7.772 0.024 -1.709) 7.958 13.179 ( 16.270 -6.490 -7.440) 19.032 13.524 ( 9.027 -1.523 0.436) 9.165 13.707 ( 8.765 -2.982 -15.743) 18.264 15.094 ( -3.164 -0.086 15.899) 16.210 15.205 ( 3.733 -1.789 5.432) 6.829 15.349 ( -3.260 -1.860 16.179) 16.608 15.880 ( 3.838 -0.410 -32.363) 32.592 16.842 ( -1.075 -2.841 -5.367) 6.167 16.883 ( -2.622 -5.419 -9.716) 11.430 17.857 ( -2.398 3.241 25.134) 25.455 17.910 ( 0.960 2.229 19.756) 19.904 18.437 ( -1.572 -1.355 20.295) 20.401 18.850 ( 2.573 3.723 -16.232) 16.851 19.203 ( -5.475 -0.143 -13.494) 14.563 19.366 ( -4.594 0.650 -26.783) 27.182 20.031 ( 6.858 3.241 4.681) 8.914 20.164 ( 6.189 0.358 -6.665) 9.102 20.614 ( -2.835 0.240 -0.600) 2.907 20.652 ( -4.028 0.056 -3.989) 5.669 21.032 ( 1.574 1.105 2.918) 3.495 21.136 ( 2.727 0.862 -6.936) 7.503 21.574 ( -10.844 -0.718 2.953) 11.262 21.645 ( -8.569 0.188 -3.591) 9.293 22.239 ( 0.225 -0.677 2.589) 2.685 22.285 ( -1.246 -0.805 -1.872) 2.389 22.708 ( 0.687 2.420 2.473) 3.528 22.731 ( -0.892 -0.005 0.227) 0.920 22.867 ( -0.901 -3.207 3.051) 4.517 22.943 ( 0.682 -0.694 -3.974) 4.091 23.203 ( 3.260 1.336 0.448) 3.551 23.232 ( 5.206 -0.574 -2.732) 5.907 23.526 ( -7.812 -0.995 3.724) 8.711 23.585 ( -2.847 -1.534 -1.844) 3.722 23.727 ( 1.964 -0.916 1.889) 2.875 23.755 ( 1.072 -1.798 -0.834) 2.253 24.528 ( -5.121 0.612 6.221) 8.081 24.634 ( -6.070 0.188 -4.838) 7.764 24.995 ( 0.064 -0.743 2.687) 2.788 25.039 ( 0.808 -3.485 -1.657) 3.943 25.901 ( 25.272 3.961 13.999) 29.161 26.080 ( 23.190 2.608 -3.902) 23.660 27.190 ( -11.048 1.592 10.126) 15.071 27.348 ( -9.177 1.223 -5.710) 10.878 27.877 ( -1.097 -0.379 7.130) 7.224 27.972 ( -1.261 4.134 1.421) 4.549 28.092 ( -1.650 -7.279 -3.729) 8.343 28.181 ( -4.338 -2.004 -6.201) 7.829 29.032 ( 2.729 1.302 6.038) 6.753 29.085 ( 0.931 -3.710 0.493) 3.856 29.650 ( 3.534 6.105 16.254) 17.718 29.785 ( 2.193 -0.232 6.240) 6.618 30.133 ( 10.043 4.379 -0.947) 10.997 30.240 ( 13.589 -4.870 -8.718) 16.863 32.362 ( -24.860 -0.239 2.467) 24.984 32.471 ( -28.123 -0.259 -7.986) 29.236 33.227 ( 1.124 -0.247 12.120) 12.175 33.463 ( 1.462 -0.616 -10.888) 11.003 33.941 ( 8.709 0.002 14.060) 16.539 34.233 ( 10.762 0.719 -14.879) 18.377 105.544 ( -0.025 0.116 2.137) 2.140 105.553 ( 0.390 -0.005 1.292) 1.349 106.815 ( 0.052 -0.014 -0.156) 0.165 106.835 ( 0.204 0.057 -2.135) 2.146 ======================= Grid point 273 (93/96) ======================= q-point: (-0.43 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.532 ( 21.600 5.468 16.976) 28.011 4.696 ( 19.943 -2.444 0.530) 20.099 4.906 ( 11.648 4.565 9.212) 15.536 4.956 ( 16.041 -0.367 3.810) 16.491 5.125 ( 11.462 0.869 2.794) 11.829 5.220 ( 8.895 6.011 -5.577) 12.098 5.464 ( 9.035 5.290 4.108) 11.247 5.630 ( 5.731 9.953 -9.632) 14.990 6.068 ( -0.096 -7.545 8.493) 11.361 6.172 ( 2.881 -5.886 -0.990) 6.627 6.389 ( -14.586 -12.404 22.086) 29.230 6.708 ( -9.302 -4.995 5.542) 11.924 6.886 ( -14.341 -6.538 -7.383) 17.404 6.930 ( -16.804 -8.610 -16.662) 25.182 7.402 ( -40.940 -5.190 4.343) 41.495 7.596 ( -34.598 -9.971 -12.272) 38.040 7.981 ( 10.335 -0.508 4.976) 11.482 8.033 ( 8.443 -2.982 -0.266) 8.958 8.725 ( 5.446 8.866 11.641) 15.613 8.871 ( 5.246 4.392 -1.034) 6.920 9.106 ( -4.763 0.098 14.847) 15.593 9.165 ( -4.663 -2.080 9.042) 10.384 9.755 ( 4.864 0.802 5.445) 7.345 9.834 ( -1.227 2.648 0.782) 3.022 9.960 ( -5.396 1.176 5.224) 7.602 10.083 ( -10.721 -1.367 1.622) 10.928 10.302 ( 5.495 -0.118 -4.495) 7.101 10.405 ( -0.135 -1.411 -6.544) 6.696 10.914 ( -15.409 12.056 -3.530) 19.881 11.078 ( -14.164 8.875 -19.044) 25.339 11.705 ( 4.676 4.871 -0.226) 6.756 11.845 ( 2.969 1.170 -8.840) 9.398 11.932 ( 4.504 1.302 11.281) 12.217 12.155 ( 7.034 1.606 -8.181) 10.908 12.325 ( 13.098 6.207 3.636) 14.944 12.459 ( 13.848 4.586 -6.767) 16.081 12.680 ( -7.841 4.820 -1.289) 9.294 12.801 ( -5.845 6.544 -10.924) 14.011 13.290 ( 7.968 -10.148 12.024) 17.636 13.500 ( 12.026 -5.201 -3.938) 13.682 13.664 ( 4.516 -6.167 -5.558) 9.451 13.833 ( 1.624 -4.414 -15.377) 16.080 15.097 ( 2.742 -2.120 20.760) 21.047 15.256 ( -2.131 -2.643 21.061) 21.333 15.376 ( 2.938 -4.670 -3.039) 6.299 15.952 ( 3.609 -2.066 -35.833) 36.073 16.836 ( -4.113 -7.668 -0.106) 8.702 16.970 ( 1.382 -11.246 -10.286) 15.303 17.823 ( 1.297 1.690 27.377) 27.459 17.939 ( 5.472 1.866 19.371) 20.215 18.348 ( -6.662 5.272 23.588) 25.072 18.774 ( -2.511 11.445 -18.677) 22.048 19.125 ( -4.278 0.308 -17.303) 17.827 19.300 ( -2.393 -0.124 -30.076) 30.172 20.078 ( 5.603 10.843 6.740) 13.942 20.222 ( 3.812 6.777 -7.279) 10.651 20.564 ( -3.111 -0.523 -1.142) 3.355 20.580 ( -4.262 -0.949 -2.631) 5.098 21.046 ( 1.860 1.912 3.237) 4.194 21.162 ( 2.072 1.746 -7.810) 8.266 21.417 ( -9.332 -4.890 5.098) 11.704 21.508 ( -7.907 -3.203 -3.631) 9.272 22.249 ( -0.160 -1.206 2.515) 2.794 22.284 ( -0.677 -1.830 -0.871) 2.137 22.711 ( 1.890 0.117 1.601) 2.479 22.740 ( 2.582 -1.873 -0.633) 3.252 22.877 ( -3.937 -5.495 1.952) 7.036 22.927 ( -4.460 -4.458 -2.312) 6.716 23.248 ( 3.069 1.253 3.899) 5.118 23.316 ( 7.018 3.190 -3.071) 8.298 23.482 ( 0.014 -0.266 3.214) 3.225 23.578 ( -1.663 -1.763 -5.545) 6.051 23.770 ( 1.165 -1.487 1.838) 2.636 23.801 ( 1.997 -0.490 -0.989) 2.282 24.421 ( -5.267 3.031 6.664) 9.019 24.526 ( -5.239 1.992 -4.378) 7.112 25.052 ( 3.005 -5.091 4.882) 7.667 25.143 ( 3.796 -8.916 -3.822) 10.417 26.221 ( 19.443 7.959 13.444) 24.942 26.387 ( 17.992 5.102 -2.795) 18.909 26.958 ( -12.502 3.904 9.617) 16.249 27.110 ( -13.392 4.895 -5.528) 15.293 27.866 ( -1.902 -0.059 9.381) 9.572 27.988 ( 3.166 -2.341 2.361) 4.591 28.083 ( -3.874 -2.005 -2.239) 4.903 28.247 ( 3.271 -10.564 -12.865) 16.965 29.038 ( -1.196 -1.645 7.459) 7.731 29.097 ( -2.756 -4.042 1.466) 5.107 29.617 ( 3.304 13.193 19.151) 23.489 29.886 ( 8.762 4.897 -0.755) 10.066 30.226 ( 5.642 2.180 6.900) 9.176 30.525 ( 13.376 -7.246 -16.056) 22.118 31.979 ( -19.896 -0.343 0.912) 19.920 32.045 ( -22.199 -0.204 -5.588) 22.892 33.234 ( -0.293 -0.455 12.462) 12.474 33.464 ( -1.177 -1.012 -9.813) 9.935 34.078 ( 6.591 -0.010 13.961) 15.439 34.366 ( 6.134 1.159 -14.295) 15.599 105.542 ( -0.007 0.257 2.454) 2.467 105.558 ( 0.230 0.030 0.905) 0.934 106.816 ( 0.047 -0.025 -0.127) 0.138 106.837 ( 0.132 0.135 -2.196) 2.204 ======================= Grid point 274 (94/96) ======================= q-point: (-0.29 0.29 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( 0.000 13.763 33.326) 36.056 4.737 ( 0.000 11.638 18.150) 21.561 4.964 ( 0.000 4.887 -5.241) 7.166 5.101 ( -0.000 -0.680 2.596) 2.683 5.200 ( 0.000 0.641 -5.568) 5.605 5.260 ( 0.000 2.400 -16.580) 16.753 5.502 ( 0.000 4.544 3.418) 5.686 5.592 ( 0.000 0.870 -5.550) 5.618 6.113 ( 0.000 4.388 10.315) 11.209 6.295 ( 0.000 6.308 -7.766) 10.005 6.361 ( -0.000 -23.226 30.643) 38.451 6.740 ( -0.000 -14.336 7.313) 16.094 6.969 ( -0.000 -18.528 -21.878) 28.669 6.972 ( -0.000 -12.052 13.013) 17.737 7.132 ( -0.000 -21.742 -22.221) 31.088 7.209 ( -0.000 -13.762 -10.307) 17.194 8.094 ( 0.000 2.938 5.467) 6.207 8.147 ( 0.000 0.961 -0.439) 1.056 8.692 ( 0.000 8.746 11.146) 14.168 8.865 ( 0.000 7.427 -5.753) 9.394 9.057 ( -0.000 -0.708 18.540) 18.553 9.142 ( -0.000 -2.454 11.688) 11.943 9.645 ( 0.000 14.979 13.337) 20.055 9.782 ( 0.000 8.617 -0.557) 8.635 9.870 ( -0.000 -3.995 11.340) 12.023 10.093 ( -0.000 -6.161 -7.843) 9.973 10.384 ( -0.000 -2.939 -1.713) 3.402 10.477 ( -0.000 -3.759 -8.155) 8.980 10.617 ( 0.000 13.112 -2.897) 13.428 10.854 ( 0.000 11.704 -23.573) 26.318 11.641 ( 0.000 12.942 6.766) 14.604 11.799 ( 0.000 10.463 -7.698) 12.990 11.967 ( 0.000 0.680 10.842) 10.863 12.184 ( 0.000 4.405 -9.484) 10.457 12.438 ( 0.000 5.224 -7.613) 9.233 12.545 ( -0.000 -0.077 7.888) 7.888 12.571 ( 0.000 8.585 -19.534) 21.337 12.693 ( -0.000 -3.498 -6.579) 7.451 13.482 ( -0.000 -12.851 17.582) 21.778 13.602 ( -0.000 -0.018 5.641) 5.641 13.830 ( -0.000 -12.638 -16.977) 21.164 13.838 ( -0.000 -0.130 -12.494) 12.495 15.154 ( 0.000 1.899 9.365) 9.555 15.286 ( -0.000 -13.619 37.442) 39.842 15.437 ( -0.000 -1.465 -15.486) 15.555 16.023 ( -0.000 -4.103 -34.565) 34.807 16.884 ( -0.000 -11.552 8.685) 14.453 17.103 ( -0.000 -13.804 -10.022) 17.058 17.843 ( -0.000 -0.622 29.038) 29.045 18.033 ( -0.000 -3.418 18.217) 18.535 18.167 ( 0.000 11.970 21.983) 25.031 18.606 ( 0.000 16.330 -20.855) 26.488 19.065 ( 0.000 2.847 -17.052) 17.288 19.286 ( 0.000 0.003 -31.061) 31.061 19.982 ( 0.000 17.543 7.452) 19.060 20.152 ( 0.000 13.029 -9.512) 16.132 20.544 ( -0.000 -2.187 -0.477) 2.238 20.563 ( -0.000 -1.744 -2.337) 2.916 21.046 ( 0.000 1.897 2.654) 3.262 21.160 ( 0.000 3.076 -8.241) 8.796 21.405 ( -0.000 -8.335 5.137) 9.791 21.486 ( -0.000 -5.730 -2.827) 6.389 22.261 ( -0.000 -1.780 2.645) 3.188 22.296 ( -0.000 -2.196 -0.868) 2.361 22.756 ( -0.000 -2.045 3.319) 3.898 22.845 ( -0.000 -4.122 -5.565) 6.926 22.852 ( -0.000 -6.607 4.983) 8.275 22.928 ( -0.000 -7.820 -1.723) 8.008 23.265 ( 0.000 1.129 6.297) 6.398 23.383 ( 0.000 3.222 -5.660) 6.512 23.457 ( 0.000 1.896 4.422) 4.811 23.557 ( -0.000 -0.214 -5.421) 5.425 23.786 ( 0.000 0.507 1.154) 1.261 23.819 ( -0.000 -0.554 -1.670) 1.760 24.332 ( 0.000 5.001 7.617) 9.112 24.453 ( 0.000 3.181 -4.995) 5.922 25.153 ( -0.000 -9.057 7.405) 11.699 25.287 ( -0.000 -12.713 -5.372) 13.802 26.318 ( 0.000 10.568 13.962) 17.510 26.517 ( 0.000 7.561 -4.771) 8.940 26.776 ( 0.000 4.487 8.404) 9.527 26.919 ( 0.000 6.188 -5.683) 8.401 27.843 ( 0.000 0.312 8.645) 8.650 27.996 ( 0.000 3.467 -6.385) 7.266 28.126 ( -0.000 -10.668 10.807) 15.185 28.397 ( -0.000 -14.390 -15.068) 20.835 29.049 ( -0.000 -3.301 7.732) 8.407 29.107 ( -0.000 -3.965 1.775) 4.344 29.505 ( 0.000 16.066 20.614) 26.136 29.872 ( 0.000 14.466 -13.177) 19.568 30.290 ( -0.000 -3.783 20.480) 20.827 30.738 ( -0.000 -8.064 -21.871) 23.310 31.796 ( -0.000 -0.108 0.676) 0.684 31.837 ( 0.000 0.671 -3.361) 3.427 33.236 ( -0.000 -0.618 12.882) 12.897 33.462 ( -0.000 -1.140 -8.836) 8.909 34.134 ( -0.000 -0.114 12.685) 12.686 34.405 ( 0.000 1.406 -13.563) 13.636 105.539 ( 0.000 0.336 2.618) 2.639 105.559 ( 0.000 0.059 0.616) 0.619 106.817 ( -0.000 -0.041 -0.175) 0.180 106.836 ( 0.000 0.191 -2.126) 2.135 ======================= Grid point 279 (95/96) ======================= q-point: (-0.57 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.592 ( 23.899 -0.000 8.792) 25.465 4.660 ( 23.946 -0.000 3.331) 24.177 4.928 ( 18.144 -0.000 7.144) 19.500 4.961 ( 15.243 -0.000 4.091) 15.783 5.132 ( 16.742 -0.000 8.809) 18.918 5.279 ( 10.902 -0.000 -2.115) 11.105 5.549 ( -1.879 0.000 6.868) 7.121 5.756 ( -5.055 0.000 -6.637) 8.343 5.982 ( 7.179 -0.000 5.774) 9.213 6.095 ( 12.184 -0.000 -5.854) 13.517 6.262 ( -12.910 0.000 19.522) 23.405 6.693 ( -10.340 0.000 -11.202) 15.245 6.760 ( -22.962 0.000 9.714) 24.933 6.873 ( -24.808 0.000 -8.679) 26.283 7.413 ( -41.852 0.000 -6.927) 42.421 7.423 ( -44.032 0.000 -8.294) 44.806 7.991 ( 14.554 -0.000 3.485) 14.966 8.000 ( 13.495 -0.000 2.397) 13.706 8.840 ( 6.099 -0.000 8.274) 10.279 8.893 ( 5.046 -0.000 6.179) 7.977 9.114 ( -7.445 0.000 10.190) 12.620 9.141 ( -2.106 0.000 13.430) 13.594 9.776 ( 4.755 -0.000 -0.940) 4.847 9.826 ( 5.932 -0.000 -6.497) 8.798 9.970 ( -9.558 0.000 11.965) 15.314 10.065 ( -7.233 0.000 4.014) 8.273 10.315 ( 5.747 -0.000 -4.252) 7.149 10.387 ( -6.029 0.000 -6.374) 8.774 11.073 ( -15.632 0.000 -4.425) 16.246 11.151 ( -12.061 0.000 -16.892) 20.756 11.766 ( 1.165 -0.000 -9.761) 9.830 11.796 ( 6.260 -0.000 -11.132) 12.772 11.938 ( 5.292 -0.000 14.479) 15.416 12.172 ( 8.809 -0.000 -4.476) 9.881 12.432 ( 10.952 -0.000 0.304) 10.957 12.468 ( 12.558 -0.000 -3.056) 12.924 12.768 ( -4.577 0.000 6.533) 7.977 12.917 ( -0.515 0.000 -3.394) 3.433 13.181 ( 1.375 -0.000 3.540) 3.798 13.392 ( 12.221 -0.000 -12.562) 17.526 13.599 ( 1.832 -0.000 -1.302) 2.247 13.793 ( 4.145 -0.000 -16.086) 16.611 15.063 ( 0.133 -0.000 29.697) 29.697 15.274 ( -4.020 0.000 17.832) 18.280 15.300 ( 6.893 -0.000 0.247) 6.898 15.930 ( 2.127 -0.000 -39.711) 39.768 16.779 ( -3.969 0.000 -5.894) 7.106 16.842 ( 0.592 -0.000 -9.712) 9.730 17.838 ( -0.253 0.000 27.903) 27.905 17.957 ( 2.407 -0.000 19.527) 19.674 18.409 ( -2.048 0.000 25.925) 26.006 18.889 ( -0.277 0.000 -20.726) 20.727 19.129 ( -3.074 0.000 -16.611) 16.893 19.298 ( -3.365 0.000 -29.758) 29.948 20.180 ( 8.833 -0.000 3.569) 9.527 20.279 ( 6.721 -0.000 -4.622) 8.157 20.562 ( -3.367 0.000 -1.303) 3.610 20.573 ( -5.781 0.000 -2.078) 6.143 21.070 ( 2.252 -0.000 3.273) 3.973 21.176 ( 1.745 -0.000 -6.719) 6.942 21.370 ( -11.581 0.000 5.669) 12.894 21.475 ( -10.446 0.000 -4.276) 11.288 22.238 ( -0.072 0.000 2.059) 2.060 22.265 ( -0.674 0.000 -0.661) 0.944 22.713 ( 0.108 -0.000 0.351) 0.367 22.723 ( 1.305 -0.000 -0.615) 1.443 22.819 ( -3.607 0.000 3.013) 4.700 22.883 ( -5.739 0.000 -2.707) 6.345 23.261 ( 2.370 -0.000 5.362) 5.862 23.361 ( 8.524 -0.000 -5.244) 10.008 23.465 ( 0.991 -0.000 3.628) 3.761 23.557 ( -0.119 0.000 -5.386) 5.388 23.756 ( 1.542 -0.000 2.488) 2.927 23.801 ( 3.116 -0.000 -1.807) 3.602 24.449 ( -4.591 0.000 6.096) 7.631 24.544 ( -4.813 0.000 -4.022) 6.273 25.010 ( 1.817 -0.000 2.146) 2.812 25.049 ( 2.296 -0.000 -1.489) 2.736 26.302 ( 19.824 -0.000 13.190) 23.811 26.435 ( 17.657 -0.000 -0.418) 17.662 26.997 ( -12.373 0.000 10.404) 16.165 27.157 ( -13.179 0.000 -5.525) 14.291 27.865 ( -0.813 0.000 10.444) 10.475 27.961 ( -0.201 0.000 5.853) 5.857 28.074 ( -0.863 0.000 -9.953) 9.991 28.143 ( 2.475 -0.000 -11.589) 11.850 29.037 ( -2.015 0.000 4.555) 4.981 29.038 ( -2.582 0.000 3.825) 4.615 29.823 ( 8.813 -0.000 18.612) 20.593 29.834 ( 4.575 -0.000 15.339) 16.007 30.326 ( 7.912 -0.000 -9.665) 12.490 30.395 ( 9.960 -0.000 -14.796) 17.836 31.975 ( -19.868 0.000 1.042) 19.895 32.043 ( -21.557 0.000 -5.526) 22.254 33.229 ( -0.317 0.000 12.059) 12.063 33.453 ( -1.098 0.000 -9.729) 9.790 34.078 ( 6.575 -0.000 14.760) 16.159 34.377 ( 6.042 -0.000 -14.740) 15.930 105.545 ( 0.019 -0.000 2.373) 2.373 105.558 ( 0.242 -0.000 1.075) 1.101 106.816 ( 0.049 -0.000 -0.065) 0.081 106.838 ( 0.143 -0.000 -2.290) 2.295 ======================= Grid point 281 (96/96) ======================= q-point: (-0.43 0.43 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-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 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 0.000 5.071 11.903) 12.938 4.973 ( -0.000 -2.067 2.335) 3.118 5.008 ( 0.000 14.354 23.783) 27.779 5.110 ( 0.000 0.818 0.475) 0.945 5.217 ( 0.000 0.634 -5.666) 5.702 5.225 ( -0.000 -6.899 5.143) 8.605 5.595 ( 0.000 3.494 0.387) 3.516 5.633 ( 0.000 2.037 -3.279) 3.861 6.036 ( -0.000 -9.637 35.353) 36.642 6.242 ( 0.000 9.018 11.192) 14.373 6.378 ( -0.000 -0.433 -0.942) 1.036 6.597 ( 0.000 0.726 -6.198) 6.241 6.701 ( -0.000 -8.172 -28.465) 29.615 6.771 ( -0.000 -15.281 -20.200) 25.329 6.804 ( -0.000 -1.947 4.612) 5.006 6.943 ( -0.000 -13.238 -7.508) 15.219 8.136 ( 0.000 1.519 3.937) 4.219 8.154 ( -0.000 -0.241 1.932) 1.946 8.855 ( 0.000 7.256 8.467) 11.151 8.950 ( 0.000 0.629 0.596) 0.866 9.047 ( -0.000 -0.269 16.083) 16.085 9.112 ( -0.000 -0.749 15.116) 15.134 9.831 ( 0.000 4.056 9.708) 10.521 9.838 ( 0.000 1.238 1.713) 2.114 9.896 ( 0.000 3.953 7.592) 8.560 9.956 ( -0.000 -7.045 -9.535) 11.855 10.364 ( 0.000 0.659 -0.328) 0.736 10.408 ( -0.000 -3.141 -4.031) 5.110 10.854 ( 0.000 9.383 -7.319) 11.900 11.023 ( 0.000 4.755 -24.803) 25.255 11.758 ( 0.000 1.883 -6.361) 6.634 11.851 ( -0.000 -2.546 -12.002) 12.269 11.980 ( 0.000 0.437 15.413) 15.419 12.247 ( 0.000 1.953 -8.739) 8.955 12.556 ( 0.000 1.161 3.098) 3.309 12.627 ( -0.000 -2.958 -4.283) 5.205 12.630 ( 0.000 12.902 7.675) 15.012 12.844 ( 0.000 13.183 -10.873) 17.088 13.226 ( -0.000 -11.076 14.284) 18.075 13.566 ( -0.000 -12.846 -17.968) 22.088 13.605 ( 0.000 0.187 1.767) 1.777 13.831 ( -0.000 -0.383 -16.174) 16.179 15.100 ( -0.000 -5.358 41.254) 41.600 15.212 ( 0.000 3.410 11.986) 12.462 15.386 ( -0.000 -3.202 -3.106) 4.461 15.956 ( -0.000 -2.191 -43.281) 43.336 16.751 ( -0.000 -2.325 -0.962) 2.516 16.886 ( -0.000 -7.731 -11.270) 13.667 17.841 ( 0.000 0.151 28.382) 28.382 17.987 ( -0.000 -1.343 19.845) 19.890 18.356 ( 0.000 6.236 27.587) 28.283 18.845 ( 0.000 7.423 -21.145) 22.410 19.101 ( 0.000 1.000 -19.353) 19.378 19.273 ( -0.000 -0.694 -31.341) 31.348 20.244 ( 0.000 8.229 3.605) 8.984 20.327 ( 0.000 4.759 -4.113) 6.290 20.505 ( -0.000 -1.443 0.106) 1.447 20.531 ( -0.000 -1.235 -2.449) 2.742 21.087 ( 0.000 1.886 3.258) 3.765 21.197 ( 0.000 0.702 -7.144) 7.178 21.274 ( -0.000 -4.196 6.330) 7.594 21.388 ( -0.000 -3.458 -4.504) 5.678 22.239 ( -0.000 -0.544 2.143) 2.211 22.264 ( -0.000 -0.993 -0.341) 1.050 22.733 ( -0.000 -0.064 0.762) 0.765 22.772 ( -0.000 -3.105 -3.188) 4.450 22.772 ( -0.000 -1.973 3.132) 3.702 22.825 ( -0.000 -2.847 -1.323) 3.139 23.280 ( 0.000 0.420 8.263) 8.274 23.438 ( 0.000 1.999 -7.841) 8.092 23.483 ( 0.000 0.767 2.663) 2.771 23.551 ( -0.000 -0.253 -4.312) 4.319 23.774 ( -0.000 -0.999 2.519) 2.710 23.827 ( 0.000 0.673 -2.515) 2.603 24.398 ( 0.000 1.798 6.335) 6.585 24.494 ( 0.000 1.116 -3.879) 4.036 25.040 ( -0.000 -2.643 3.321) 4.244 25.102 ( -0.000 -6.004 -2.455) 6.487 26.472 ( 0.000 4.787 13.544) 14.365 26.608 ( 0.000 2.168 -0.056) 2.169 26.845 ( 0.000 2.245 10.063) 10.310 27.005 ( 0.000 2.511 -5.782) 6.304 27.852 ( 0.000 0.364 10.858) 10.864 27.986 ( -0.000 -3.901 6.061) 7.208 28.049 ( 0.000 1.673 -8.350) 8.516 28.204 ( -0.000 -5.512 -14.768) 15.763 29.009 ( -0.000 -0.542 5.901) 5.925 29.036 ( -0.000 -3.080 3.199) 4.440 29.781 ( 0.000 12.875 21.270) 24.863 29.970 ( -0.000 -5.180 14.289) 15.199 30.331 ( 0.000 8.934 -8.844) 12.571 30.560 ( -0.000 -10.224 -19.918) 22.388 31.795 ( -0.000 -0.022 1.210) 1.210 31.847 ( 0.000 0.272 -3.842) 3.851 33.227 ( -0.000 -0.264 12.183) 12.186 33.445 ( -0.000 -0.528 -8.934) 8.949 34.134 ( 0.000 0.009 14.193) 14.193 34.425 ( 0.000 0.582 -14.318) 14.330 105.544 ( 0.000 0.159 2.484) 2.489 105.560 ( 0.000 0.017 0.933) 0.933 106.816 ( -0.000 -0.011 -0.054) 0.055 106.839 ( 0.000 0.077 -2.316) 2.317 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/54978 10.0 1931.975 3845.302 2926.597 0.000 0.000 0.000 3/54978 20.0 1933.533 1818.395 2149.002 0.000 0.000 -0.000 3/54978 30.0 892.082 717.499 1004.159 0.000 0.000 -0.000 3/54978 40.0 444.025 351.283 535.815 0.000 0.000 -0.000 3/54978 50.0 269.003 211.340 334.192 0.000 0.000 -0.000 3/54978 60.0 184.575 144.780 231.646 0.000 0.000 -0.000 3/54978 70.0 137.170 107.543 172.462 0.000 0.000 -0.000 3/54978 80.0 107.645 84.295 135.040 0.000 0.000 -0.000 3/54978 90.0 87.802 68.615 109.699 0.000 0.000 -0.000 3/54978 100.0 73.668 57.420 91.610 0.000 0.000 -0.000 3/54978 110.0 63.134 49.072 78.152 0.000 0.000 -0.000 3/54978 120.0 55.000 42.632 67.805 0.000 0.000 -0.000 3/54978 130.0 48.544 37.532 59.637 0.000 0.000 -0.000 3/54978 140.0 43.305 33.403 53.050 0.000 0.000 -0.000 3/54978 150.0 38.980 30.004 47.642 0.000 0.000 -0.000 3/54978 160.0 35.357 27.164 43.138 0.000 0.000 -0.000 3/54978 170.0 32.288 24.762 39.339 0.000 0.000 -0.000 3/54978 180.0 29.660 22.711 36.101 0.000 0.000 -0.000 3/54978 190.0 27.392 20.943 33.315 0.000 0.000 -0.000 3/54978 200.0 25.420 19.407 30.898 0.000 0.000 -0.000 3/54978 210.0 23.693 18.063 28.787 0.000 0.000 -0.000 3/54978 220.0 22.172 16.881 26.930 0.000 0.000 -0.000 3/54978 230.0 20.824 15.833 25.286 0.000 0.000 -0.000 3/54978 240.0 19.624 14.901 23.824 0.000 0.000 -0.000 3/54978 250.0 18.550 14.066 22.516 0.000 0.000 -0.000 3/54978 260.0 17.585 13.316 21.341 0.000 0.000 -0.000 3/54978 270.0 16.714 12.640 20.280 0.000 0.000 -0.000 3/54978 280.0 15.924 12.026 19.318 0.000 0.000 -0.000 3/54978 290.0 15.206 11.468 18.444 0.000 0.000 -0.000 3/54978 300.0 14.551 10.959 17.645 0.000 0.000 -0.000 3/54978 310.0 13.950 10.492 16.912 0.000 0.000 -0.000 3/54978 320.0 13.399 10.064 16.239 0.000 0.000 -0.000 3/54978 330.0 12.890 9.669 15.618 0.000 0.000 -0.000 3/54978 340.0 12.420 9.304 15.044 0.000 0.000 -0.000 3/54978 350.0 11.984 8.965 14.512 0.000 0.000 -0.000 3/54978 360.0 11.580 8.651 14.017 0.000 0.000 -0.000 3/54978 370.0 11.203 8.358 13.555 0.000 0.000 -0.000 3/54978 380.0 10.850 8.085 13.124 0.000 0.000 -0.000 3/54978 390.0 10.521 7.829 12.721 0.000 0.000 -0.000 3/54978 400.0 10.212 7.590 12.342 0.000 0.000 -0.000 3/54978 410.0 9.921 7.365 11.986 0.000 0.000 -0.000 3/54978 420.0 9.648 7.153 11.651 0.000 0.000 -0.000 3/54978 430.0 9.390 6.954 11.335 0.000 0.000 -0.000 3/54978 440.0 9.146 6.765 11.036 0.000 0.000 -0.000 3/54978 450.0 8.915 6.587 10.753 0.000 0.000 -0.000 3/54978 460.0 8.697 6.418 10.485 0.000 0.000 -0.000 3/54978 470.0 8.489 6.259 10.230 0.000 0.000 -0.000 3/54978 480.0 8.292 6.107 9.988 0.000 0.000 -0.000 3/54978 490.0 8.104 5.962 9.758 0.000 0.000 -0.000 3/54978 500.0 7.925 5.825 9.538 0.000 0.000 -0.000 3/54978 510.0 7.754 5.693 9.329 0.000 0.000 -0.000 3/54978 520.0 7.591 5.568 9.129 0.000 0.000 -0.000 3/54978 530.0 7.435 5.449 8.937 0.000 0.000 -0.000 3/54978 540.0 7.285 5.334 8.754 0.000 0.000 -0.000 3/54978 550.0 7.142 5.225 8.579 0.000 0.000 -0.000 3/54978 560.0 7.004 5.120 8.410 0.000 0.000 -0.000 3/54978 570.0 6.872 5.019 8.248 0.000 0.000 -0.000 3/54978 580.0 6.745 4.923 8.093 0.000 0.000 -0.000 3/54978 590.0 6.623 4.830 7.944 0.000 0.000 -0.000 3/54978 600.0 6.506 4.740 7.800 0.000 0.000 -0.000 3/54978 610.0 6.392 4.654 7.662 0.000 0.000 -0.000 3/54978 620.0 6.283 4.572 7.528 0.000 0.000 -0.000 3/54978 630.0 6.178 4.492 7.399 0.000 0.000 -0.000 3/54978 640.0 6.076 4.415 7.275 0.000 0.000 -0.000 3/54978 650.0 5.978 4.341 7.155 0.000 0.000 -0.000 3/54978 660.0 5.883 4.269 7.039 0.000 0.000 -0.000 3/54978 670.0 5.790 4.199 6.927 0.000 0.000 -0.000 3/54978 680.0 5.701 4.132 6.818 0.000 0.000 -0.000 3/54978 690.0 5.615 4.068 6.713 0.000 0.000 -0.000 3/54978 700.0 5.532 4.005 6.611 0.000 0.000 -0.000 3/54978 710.0 5.450 3.944 6.513 0.000 0.000 -0.000 3/54978 720.0 5.372 3.885 6.417 0.000 0.000 -0.000 3/54978 730.0 5.295 3.828 6.324 0.000 0.000 -0.000 3/54978 740.0 5.221 3.772 6.234 0.000 0.000 -0.000 3/54978 750.0 5.149 3.718 6.146 0.000 0.000 -0.000 3/54978 760.0 5.079 3.666 6.061 0.000 0.000 -0.000 3/54978 770.0 5.011 3.615 5.979 0.000 0.000 -0.000 3/54978 780.0 4.945 3.566 5.898 0.000 0.000 -0.000 3/54978 790.0 4.880 3.518 5.820 0.000 0.000 -0.000 3/54978 800.0 4.818 3.471 5.744 0.000 0.000 -0.000 3/54978 810.0 4.757 3.426 5.670 0.000 0.000 -0.000 3/54978 820.0 4.697 3.381 5.598 0.000 0.000 -0.000 3/54978 830.0 4.639 3.338 5.527 0.000 0.000 -0.000 3/54978 840.0 4.582 3.296 5.459 0.000 0.000 -0.000 3/54978 850.0 4.527 3.255 5.392 0.000 0.000 -0.000 3/54978 860.0 4.473 3.216 5.327 0.000 0.000 -0.000 3/54978 870.0 4.421 3.177 5.263 0.000 0.000 -0.000 3/54978 880.0 4.369 3.139 5.201 0.000 0.000 -0.000 3/54978 890.0 4.319 3.102 5.141 0.000 0.000 -0.000 3/54978 900.0 4.270 3.066 5.082 0.000 0.000 -0.000 3/54978 910.0 4.222 3.030 5.024 0.000 0.000 -0.000 3/54978 920.0 4.176 2.996 4.967 0.000 0.000 -0.000 3/54978 930.0 4.130 2.962 4.912 0.000 0.000 -0.000 3/54978 940.0 4.085 2.929 4.858 0.000 0.000 -0.000 3/54978 950.0 4.041 2.897 4.805 0.000 0.000 -0.000 3/54978 960.0 3.999 2.865 4.754 0.000 0.000 -0.000 3/54978 970.0 3.957 2.835 4.703 0.000 0.000 -0.000 3/54978 980.0 3.916 2.805 4.654 0.000 0.000 -0.000 3/54978 990.0 3.875 2.775 4.606 0.000 0.000 -0.000 3/54978 1000.0 3.836 2.746 4.558 0.000 0.000 -0.000 3/54978 Thermal conductivity related properties were written into "kappa-m7711.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:24:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|