----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:30:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.715532791956609 -3.784552505000000 0.000000000000000 b 7.715532791956609 3.784552505000000 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): *1 Tb 0.92310875630213 0.67458786917542 0.31908792844376 158.925 2 Tb 0.32541213082458 0.07689124369787 0.18091207155624 158.925 3 Tb 0.07689124369787 0.32541213082458 0.68091207155624 158.925 *4 Tb 0.60849329038912 0.39150670961088 0.25000000000000 158.925 5 Tb 0.67458786917542 0.92310875630213 0.81908792844376 158.925 6 Tb 0.39150670961088 0.60849329038912 0.75000000000000 158.925 *7 Si 0.30347154188000 0.37928186213897 0.97421204830589 28.085 8 Si 0.37928186213897 0.30347154188000 0.47421204830589 28.085 9 Si 0.62071813786103 0.69652845812000 0.52578795169411 28.085 10 Si 0.69652845812000 0.62071813786103 0.02578795169411 28.085 *11 S 0.71545256079512 0.85488293590962 0.08631225330012 32.065 *12 S 0.25257423400743 0.45316933840022 0.17178116871793 32.065 13 S 0.14511706409038 0.28454743920488 0.41368774669988 32.065 14 S 0.54683066159978 0.74742576599257 0.32821883128207 32.065 15 S 0.74742576599257 0.54683066159978 0.82821883128207 32.065 *16 S 0.40182172178740 0.72916262661017 0.03670208785066 32.065 17 S 0.45316933840022 0.25257423400743 0.67178116871793 32.065 *18 S 0.60984354468124 0.10217941616984 0.35220287028205 32.065 19 S 0.10217941616984 0.60984354468124 0.85220287028205 32.065 20 S 0.27083737338983 0.59817827821260 0.46329791214934 32.065 21 S 0.72916262661017 0.40182172178740 0.53670208785066 32.065 22 S 0.28454743920488 0.14511706409038 0.91368774669988 32.065 23 S 0.89782058383016 0.39015645531876 0.14779712971795 32.065 24 S 0.85488293590962 0.71545256079512 0.58631225330012 32.065 25 S 0.59817827821260 0.27083737338983 0.96329791214934 32.065 26 S 0.39015645531876 0.89782058383016 0.64779712971795 32.065 *27 I 0.01818020383848 0.98181979616152 0.25000000000000 126.904 28 I 0.98181979616152 0.01818020383848 0.75000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.431065583913218 0.000000000000000 0.000000000000000 b 0.000000000000000 7.569105010000000 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): *1 Tb 0.29884831273878 0.37573955643664 0.31908792844376 158.925 > 1 2 Tb 0.20115168726122 0.87573955643664 0.18091207155624 158.925 > 2 3 Tb 0.20115168726122 0.12426044356336 0.68091207155624 158.925 > 3 *4 Tb 0.00000000000000 0.39150670961088 0.25000000000000 158.925 > 4 5 Tb 0.29884831273878 0.62426044356336 0.81908792844376 158.925 > 5 6 Tb 0.00000000000000 0.60849329038912 0.75000000000000 158.925 > 6 7 Tb 0.79884831273878 0.87573955643664 0.31908792844376 158.925 > 1 8 Tb 0.70115168726122 0.37573955643664 0.18091207155624 158.925 > 2 9 Tb 0.70115168726122 0.62426044356336 0.68091207155624 158.925 > 3 10 Tb 0.50000000000000 0.89150670961088 0.25000000000000 158.925 > 4 11 Tb 0.79884831273878 0.12426044356336 0.81908792844376 158.925 > 5 12 Tb 0.50000000000000 0.10849329038912 0.75000000000000 158.925 > 6 *13 Si 0.34137670200948 0.03790516012948 0.97421204830589 28.085 > 7 14 Si 0.34137670200948 0.96209483987052 0.47421204830589 28.085 > 8 15 Si 0.15862329799052 0.53790516012948 0.52578795169411 28.085 > 9 16 Si 0.15862329799052 0.46209483987052 0.02578795169411 28.085 > 10 17 Si 0.84137670200948 0.53790516012948 0.97421204830589 28.085 > 7 18 Si 0.84137670200948 0.46209483987052 0.47421204830589 28.085 > 8 19 Si 0.65862329799052 0.03790516012948 0.52578795169411 28.085 > 9 20 Si 0.65862329799052 0.96209483987052 0.02578795169411 28.085 > 10 *21 S 0.28516774835237 0.56971518755725 0.08631225330012 32.065 > 11 *22 S 0.35287178620383 0.10029755219639 0.17178116871793 32.065 > 12 23 S 0.21483225164763 0.06971518755724 0.41368774669988 32.065 > 13 24 S 0.14712821379617 0.60029755219639 0.32821883128207 32.065 > 14 25 S 0.14712821379617 0.39970244780361 0.82821883128207 32.065 > 15 *26 S 0.06549217419878 0.66367045241138 0.03670208785066 32.065 > 16 27 S 0.35287178620383 0.89970244780361 0.67178116871793 32.065 > 17 *28 S 0.35601148042554 0.74616793574430 0.35220287028205 32.065 > 18 29 S 0.35601148042554 0.25383206425570 0.85220287028205 32.065 > 19 30 S 0.43450782580122 0.16367045241138 0.46329791214934 32.065 > 20 31 S 0.06549217419878 0.33632954758862 0.53670208785066 32.065 > 21 32 S 0.21483225164763 0.93028481244275 0.91368774669988 32.065 > 22 33 S 0.14398851957446 0.24616793574430 0.14779712971795 32.065 > 23 34 S 0.28516774835237 0.43028481244276 0.58631225330012 32.065 > 24 35 S 0.43450782580122 0.83632954758862 0.96329791214934 32.065 > 25 36 S 0.14398851957446 0.75383206425570 0.64779712971795 32.065 > 26 37 S 0.78516774835237 0.06971518755724 0.08631225330012 32.065 > 11 38 S 0.85287178620382 0.60029755219639 0.17178116871793 32.065 > 12 39 S 0.71483225164763 0.56971518755725 0.41368774669988 32.065 > 13 40 S 0.64712821379618 0.10029755219639 0.32821883128207 32.065 > 14 41 S 0.64712821379618 0.89970244780361 0.82821883128207 32.065 > 15 42 S 0.56549217419878 0.16367045241138 0.03670208785066 32.065 > 16 43 S 0.85287178620382 0.39970244780361 0.67178116871793 32.065 > 17 44 S 0.85601148042554 0.24616793574430 0.35220287028205 32.065 > 18 45 S 0.85601148042554 0.75383206425570 0.85220287028205 32.065 > 19 46 S 0.93450782580122 0.66367045241138 0.46329791214934 32.065 > 20 47 S 0.56549217419878 0.83632954758862 0.53670208785066 32.065 > 21 48 S 0.71483225164763 0.43028481244276 0.91368774669988 32.065 > 22 49 S 0.64398851957446 0.74616793574430 0.14779712971795 32.065 > 23 50 S 0.78516774835237 0.93028481244275 0.58631225330012 32.065 > 24 51 S 0.93450782580122 0.33632954758862 0.96329791214934 32.065 > 25 52 S 0.64398851957446 0.25383206425570 0.64779712971795 32.065 > 26 *53 I 0.00000000000000 0.98181979616152 0.25000000000000 126.904 > 27 54 I 0.00000000000000 0.01818020383848 0.75000000000000 126.904 > 28 55 I 0.50000000000000 0.48181979616152 0.25000000000000 126.904 > 27 56 I 0.50000000000000 0.51818020383848 0.75000000000000 126.904 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.431065583913218 0.000000000000000 0.000000000000000 b 0.000000000000000 15.138210020000001 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): *1 Tb 0.29884831273878 0.18786977821832 0.31908792844376 158.925 > 1 2 Tb 0.29884831273878 0.68786977821832 0.31908792844376 158.925 > 1 3 Tb 0.20115168726122 0.43786977821832 0.18091207155624 158.925 > 2 4 Tb 0.20115168726122 0.93786977821832 0.18091207155624 158.925 > 2 5 Tb 0.20115168726122 0.06213022178168 0.68091207155624 158.925 > 3 6 Tb 0.20115168726122 0.56213022178168 0.68091207155624 158.925 > 3 *7 Tb 0.00000000000000 0.19575335480544 0.25000000000000 158.925 > 4 8 Tb 0.00000000000000 0.69575335480544 0.25000000000000 158.925 > 4 9 Tb 0.29884831273878 0.31213022178168 0.81908792844376 158.925 > 5 10 Tb 0.29884831273878 0.81213022178168 0.81908792844376 158.925 > 5 11 Tb 0.00000000000000 0.30424664519456 0.75000000000000 158.925 > 6 12 Tb 0.00000000000000 0.80424664519456 0.75000000000000 158.925 > 6 13 Tb 0.79884831273878 0.43786977821832 0.31908792844376 158.925 > 1 14 Tb 0.79884831273878 0.93786977821832 0.31908792844376 158.925 > 1 15 Tb 0.70115168726122 0.18786977821832 0.18091207155624 158.925 > 2 16 Tb 0.70115168726122 0.68786977821832 0.18091207155624 158.925 > 2 17 Tb 0.70115168726122 0.31213022178168 0.68091207155624 158.925 > 3 18 Tb 0.70115168726122 0.81213022178168 0.68091207155624 158.925 > 3 19 Tb 0.50000000000000 0.44575335480544 0.25000000000000 158.925 > 4 20 Tb 0.50000000000000 0.94575335480544 0.25000000000000 158.925 > 4 21 Tb 0.79884831273878 0.06213022178168 0.81908792844376 158.925 > 5 22 Tb 0.79884831273878 0.56213022178168 0.81908792844376 158.925 > 5 23 Tb 0.50000000000000 0.05424664519456 0.75000000000000 158.925 > 6 24 Tb 0.50000000000000 0.55424664519456 0.75000000000000 158.925 > 6 *25 Si 0.34137670200948 0.01895258006474 0.97421204830589 28.085 > 7 26 Si 0.34137670200948 0.51895258006474 0.97421204830589 28.085 > 7 27 Si 0.34137670200948 0.48104741993526 0.47421204830589 28.085 > 8 28 Si 0.34137670200948 0.98104741993526 0.47421204830589 28.085 > 8 29 Si 0.15862329799052 0.26895258006474 0.52578795169411 28.085 > 9 30 Si 0.15862329799052 0.76895258006474 0.52578795169411 28.085 > 9 31 Si 0.15862329799052 0.23104741993526 0.02578795169411 28.085 > 10 32 Si 0.15862329799052 0.73104741993526 0.02578795169411 28.085 > 10 33 Si 0.84137670200948 0.26895258006474 0.97421204830589 28.085 > 7 34 Si 0.84137670200948 0.76895258006474 0.97421204830589 28.085 > 7 35 Si 0.84137670200948 0.23104741993526 0.47421204830589 28.085 > 8 36 Si 0.84137670200948 0.73104741993526 0.47421204830589 28.085 > 8 37 Si 0.65862329799052 0.01895258006474 0.52578795169411 28.085 > 9 38 Si 0.65862329799052 0.51895258006474 0.52578795169411 28.085 > 9 39 Si 0.65862329799052 0.48104741993526 0.02578795169411 28.085 > 10 40 Si 0.65862329799052 0.98104741993526 0.02578795169411 28.085 > 10 *41 S 0.28516774835237 0.28485759377862 0.08631225330012 32.065 > 11 42 S 0.28516774835237 0.78485759377862 0.08631225330012 32.065 > 11 *43 S 0.35287178620383 0.05014877609820 0.17178116871793 32.065 > 12 44 S 0.35287178620383 0.55014877609820 0.17178116871793 32.065 > 12 45 S 0.21483225164763 0.03485759377862 0.41368774669988 32.065 > 13 46 S 0.21483225164763 0.53485759377862 0.41368774669988 32.065 > 13 47 S 0.14712821379617 0.30014877609820 0.32821883128207 32.065 > 14 48 S 0.14712821379617 0.80014877609820 0.32821883128207 32.065 > 14 49 S 0.14712821379617 0.19985122390180 0.82821883128207 32.065 > 15 50 S 0.14712821379617 0.69985122390180 0.82821883128207 32.065 > 15 *51 S 0.06549217419878 0.33183522620569 0.03670208785066 32.065 > 16 52 S 0.06549217419878 0.83183522620569 0.03670208785066 32.065 > 16 53 S 0.35287178620383 0.44985122390180 0.67178116871793 32.065 > 17 54 S 0.35287178620383 0.94985122390180 0.67178116871793 32.065 > 17 *55 S 0.35601148042554 0.37308396787215 0.35220287028205 32.065 > 18 56 S 0.35601148042554 0.87308396787215 0.35220287028205 32.065 > 18 57 S 0.35601148042554 0.12691603212785 0.85220287028205 32.065 > 19 58 S 0.35601148042554 0.62691603212785 0.85220287028205 32.065 > 19 59 S 0.43450782580122 0.08183522620569 0.46329791214934 32.065 > 20 60 S 0.43450782580122 0.58183522620569 0.46329791214934 32.065 > 20 61 S 0.06549217419878 0.16816477379431 0.53670208785066 32.065 > 21 62 S 0.06549217419878 0.66816477379431 0.53670208785066 32.065 > 21 63 S 0.21483225164763 0.46514240622138 0.91368774669988 32.065 > 22 64 S 0.21483225164763 0.96514240622138 0.91368774669988 32.065 > 22 65 S 0.14398851957446 0.12308396787215 0.14779712971795 32.065 > 23 66 S 0.14398851957446 0.62308396787215 0.14779712971795 32.065 > 23 67 S 0.28516774835237 0.21514240622138 0.58631225330012 32.065 > 24 68 S 0.28516774835237 0.71514240622138 0.58631225330012 32.065 > 24 69 S 0.43450782580122 0.41816477379431 0.96329791214934 32.065 > 25 70 S 0.43450782580122 0.91816477379431 0.96329791214934 32.065 > 25 71 S 0.14398851957446 0.37691603212785 0.64779712971795 32.065 > 26 72 S 0.14398851957446 0.87691603212785 0.64779712971795 32.065 > 26 73 S 0.78516774835237 0.03485759377862 0.08631225330012 32.065 > 11 74 S 0.78516774835237 0.53485759377862 0.08631225330012 32.065 > 11 75 S 0.85287178620382 0.30014877609820 0.17178116871793 32.065 > 12 76 S 0.85287178620382 0.80014877609820 0.17178116871793 32.065 > 12 77 S 0.71483225164763 0.28485759377862 0.41368774669988 32.065 > 13 78 S 0.71483225164763 0.78485759377862 0.41368774669988 32.065 > 13 79 S 0.64712821379618 0.05014877609820 0.32821883128207 32.065 > 14 80 S 0.64712821379618 0.55014877609820 0.32821883128207 32.065 > 14 81 S 0.64712821379618 0.44985122390180 0.82821883128207 32.065 > 15 82 S 0.64712821379618 0.94985122390180 0.82821883128207 32.065 > 15 83 S 0.56549217419878 0.08183522620569 0.03670208785066 32.065 > 16 84 S 0.56549217419878 0.58183522620569 0.03670208785066 32.065 > 16 85 S 0.85287178620382 0.19985122390180 0.67178116871793 32.065 > 17 86 S 0.85287178620382 0.69985122390180 0.67178116871793 32.065 > 17 87 S 0.85601148042554 0.12308396787215 0.35220287028205 32.065 > 18 88 S 0.85601148042554 0.62308396787215 0.35220287028205 32.065 > 18 89 S 0.85601148042554 0.37691603212785 0.85220287028205 32.065 > 19 90 S 0.85601148042554 0.87691603212785 0.85220287028205 32.065 > 19 91 S 0.93450782580122 0.33183522620569 0.46329791214934 32.065 > 20 92 S 0.93450782580122 0.83183522620569 0.46329791214934 32.065 > 20 93 S 0.56549217419878 0.41816477379431 0.53670208785066 32.065 > 21 94 S 0.56549217419878 0.91816477379431 0.53670208785066 32.065 > 21 95 S 0.71483225164763 0.21514240622138 0.91368774669988 32.065 > 22 96 S 0.71483225164763 0.71514240622138 0.91368774669988 32.065 > 22 97 S 0.64398851957446 0.37308396787215 0.14779712971795 32.065 > 23 98 S 0.64398851957446 0.87308396787215 0.14779712971795 32.065 > 23 99 S 0.78516774835237 0.46514240622138 0.58631225330012 32.065 > 24 100 S 0.78516774835237 0.96514240622138 0.58631225330012 32.065 > 24 101 S 0.93450782580122 0.16816477379431 0.96329791214934 32.065 > 25 102 S 0.93450782580122 0.66816477379431 0.96329791214934 32.065 > 25 103 S 0.64398851957446 0.12691603212785 0.64779712971795 32.065 > 26 104 S 0.64398851957446 0.62691603212785 0.64779712971795 32.065 > 26 *105 I 0.00000000000000 0.49090989808076 0.25000000000000 126.904 > 27 106 I 0.00000000000000 0.99090989808076 0.25000000000000 126.904 > 27 107 I 0.00000000000000 0.00909010191924 0.75000000000000 126.904 > 28 108 I 0.00000000000000 0.50909010191924 0.75000000000000 126.904 > 28 109 I 0.50000000000000 0.24090989808076 0.25000000000000 126.904 > 27 110 I 0.50000000000000 0.74090989808076 0.25000000000000 126.904 > 27 111 I 0.50000000000000 0.25909010191924 0.75000000000000 126.904 > 28 112 I 0.50000000000000 0.75909010191924 0.75000000000000 126.904 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1475896 0.0000000 -0.0441783 0.0000000 6.9843365 0.0000000 -0.0441805 0.0000000 7.1891332 -------------------------- Born effective charges -------------------------- 1 Tb 3.5884560 -0.2796422 -0.0843581 -0.1374701 4.2537958 -0.2693038 -0.2634109 0.0467173 3.8228399 2 Tb 3.5884560 0.2796422 -0.0843581 0.1374701 4.2537958 0.2693038 -0.2634109 -0.0467173 3.8228399 3 Tb 3.5884560 -0.2796422 -0.0843581 -0.1374701 4.2537958 -0.2693038 -0.2634109 0.0467173 3.8228399 4 Tb 4.5198846 0.0000000 -0.0372148 0.0000000 3.1335157 0.0000000 0.0199559 0.0000000 3.9179781 5 Tb 3.5884560 0.2796422 -0.0843581 0.1374701 4.2537958 0.2693038 -0.2634109 -0.0467173 3.8228399 6 Tb 4.5198846 0.0000000 -0.0372148 0.0000000 3.1335157 0.0000000 0.0199559 0.0000000 3.9179781 7 Si 2.3877579 -0.0016634 -0.1886276 0.3498466 2.5238799 -0.2291944 -0.0199275 -0.1591265 3.4042082 8 Si 2.3877579 0.0016634 -0.1886276 -0.3498466 2.5238799 0.2291944 -0.0199275 0.1591265 3.4042082 9 Si 2.3877579 0.0016634 -0.1886276 -0.3498466 2.5238799 0.2291944 -0.0199275 0.1591265 3.4042082 10 Si 2.3877579 -0.0016634 -0.1886276 0.3498466 2.5238799 -0.2291944 -0.0199275 -0.1591265 3.4042082 11 S -1.5929378 -0.3366325 0.0752302 -0.3712110 -1.7192201 0.0857702 0.0682395 0.1757282 -2.5348610 12 S -1.8670986 0.2937343 0.2133932 0.2720469 -1.7001965 -0.4473845 0.2642507 -0.5371804 -2.4619986 13 S -1.5929378 0.3366325 0.0752302 0.3712110 -1.7192201 -0.0857702 0.0682395 -0.1757282 -2.5348610 14 S -1.8670986 -0.2937343 0.2133932 -0.2720469 -1.7001965 0.4473845 0.2642507 0.5371804 -2.4619986 15 S -1.8670986 0.2937343 0.2133932 0.2720469 -1.7001965 -0.4473845 0.2642507 -0.5371804 -2.4619986 16 S -1.9701908 -0.0594126 -0.2855184 -0.1277847 -1.7372551 -0.0019788 -0.3263704 -0.0839305 -2.2244118 17 S -1.8670986 -0.2937343 0.2133932 -0.2720469 -1.7001965 0.4473845 0.2642507 0.5371804 -2.4619986 18 S -1.7346226 -0.1455346 0.1004360 -0.1941554 -2.3551575 -0.5359089 0.1578512 -0.4380791 -1.7015369 19 S -1.7346226 0.1455346 0.1004360 0.1941554 -2.3551575 0.5359089 0.1578512 0.4380791 -1.7015369 20 S -1.9701908 0.0594126 -0.2855184 0.1277847 -1.7372551 0.0019788 -0.3263704 0.0839305 -2.2244118 21 S -1.9701908 0.0594126 -0.2855184 0.1277847 -1.7372551 0.0019788 -0.3263704 0.0839305 -2.2244118 22 S -1.5929378 -0.3366325 0.0752302 -0.3712110 -1.7192201 0.0857702 0.0682395 0.1757282 -2.5348610 23 S -1.7346226 0.1455346 0.1004360 0.1941554 -2.3551575 0.5359089 0.1578512 0.4380791 -1.7015369 24 S -1.5929378 0.3366325 0.0752302 0.3712110 -1.7192201 -0.0857702 0.0682395 -0.1757282 -2.5348610 25 S -1.9701908 -0.0594126 -0.2855184 -0.1277847 -1.7372551 -0.0019788 -0.3263704 -0.0839305 -2.2244118 26 S -1.7346226 -0.1455346 0.1004360 -0.1941554 -2.3551575 -0.5359089 0.1578512 -0.4380791 -1.7015369 27 I -2.1426129 0.0000000 0.3761041 0.0000000 -1.6652085 0.0000000 0.2187790 0.0000000 -0.5264577 28 I -2.1426129 0.0000000 0.3761041 0.0000000 -1.6652085 0.0000000 0.2187790 0.0000000 -0.5264577 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.038 Solver_block: 200 / 880 - Time: 0.849 Solver_block: 300 / 880 - Time: 0.802 Solver_block: 400 / 880 - Time: 0.806 Solver_block: 500 / 880 - Time: 0.812 Solver_block: 600 / 880 - Time: 0.817 Solver_block: 700 / 880 - Time: 0.822 Solver_block: 800 / 880 - Time: 0.856 Solver_block: 880 / 880 - Time: 0.715 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.843 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xy) -0.00000000 (xy) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:31:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:31:24]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.715532791956609 -3.784552505000000 0.000000000000000 b 7.715532791956609 3.784552505000000 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): 1 Tb 0.92310875630213 0.67458786917542 0.31908792844376 158.925 2 Tb 0.32541213082458 0.07689124369787 0.18091207155624 158.925 3 Tb 0.07689124369787 0.32541213082458 0.68091207155624 158.925 4 Tb 0.60849329038912 0.39150670961088 0.25000000000000 158.925 5 Tb 0.67458786917542 0.92310875630213 0.81908792844376 158.925 6 Tb 0.39150670961088 0.60849329038912 0.75000000000000 158.925 7 Si 0.30347154188000 0.37928186213897 0.97421204830589 28.085 8 Si 0.37928186213897 0.30347154188000 0.47421204830589 28.085 9 Si 0.62071813786103 0.69652845812000 0.52578795169411 28.085 10 Si 0.69652845812000 0.62071813786103 0.02578795169411 28.085 11 S 0.71545256079512 0.85488293590962 0.08631225330012 32.065 12 S 0.25257423400743 0.45316933840022 0.17178116871793 32.065 13 S 0.14511706409038 0.28454743920488 0.41368774669988 32.065 14 S 0.54683066159978 0.74742576599257 0.32821883128207 32.065 15 S 0.74742576599257 0.54683066159978 0.82821883128207 32.065 16 S 0.40182172178740 0.72916262661017 0.03670208785066 32.065 17 S 0.45316933840022 0.25257423400743 0.67178116871793 32.065 18 S 0.60984354468124 0.10217941616984 0.35220287028205 32.065 19 S 0.10217941616984 0.60984354468124 0.85220287028205 32.065 20 S 0.27083737338983 0.59817827821260 0.46329791214934 32.065 21 S 0.72916262661017 0.40182172178740 0.53670208785066 32.065 22 S 0.28454743920488 0.14511706409038 0.91368774669988 32.065 23 S 0.89782058383016 0.39015645531876 0.14779712971795 32.065 24 S 0.85488293590962 0.71545256079512 0.58631225330012 32.065 25 S 0.59817827821260 0.27083737338983 0.96329791214934 32.065 26 S 0.39015645531876 0.89782058383016 0.64779712971795 32.065 27 I 0.01818020383848 0.98181979616152 0.25000000000000 126.904 28 I 0.98181979616152 0.01818020383848 0.75000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.431065583913218 0.000000000000000 0.000000000000000 b 0.000000000000000 15.138210020000001 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): 1 Tb 0.29884831273878 0.18786977821832 0.31908792844376 158.925 > 1 2 Tb 0.29884831273878 0.68786977821832 0.31908792844376 158.925 > 1 3 Tb 0.20115168726122 0.43786977821832 0.18091207155624 158.925 > 3 4 Tb 0.20115168726122 0.93786977821832 0.18091207155624 158.925 > 3 5 Tb 0.20115168726122 0.06213022178168 0.68091207155624 158.925 > 5 6 Tb 0.20115168726122 0.56213022178168 0.68091207155624 158.925 > 5 7 Tb 0.00000000000000 0.19575335480544 0.25000000000000 158.925 > 7 8 Tb 0.00000000000000 0.69575335480544 0.25000000000000 158.925 > 7 9 Tb 0.29884831273878 0.31213022178168 0.81908792844376 158.925 > 9 10 Tb 0.29884831273878 0.81213022178168 0.81908792844376 158.925 > 9 11 Tb 0.00000000000000 0.30424664519456 0.75000000000000 158.925 > 11 12 Tb 0.00000000000000 0.80424664519456 0.75000000000000 158.925 > 11 13 Tb 0.79884831273878 0.43786977821832 0.31908792844376 158.925 > 1 14 Tb 0.79884831273878 0.93786977821832 0.31908792844376 158.925 > 1 15 Tb 0.70115168726122 0.18786977821832 0.18091207155624 158.925 > 3 16 Tb 0.70115168726122 0.68786977821832 0.18091207155624 158.925 > 3 17 Tb 0.70115168726122 0.31213022178168 0.68091207155624 158.925 > 5 18 Tb 0.70115168726122 0.81213022178168 0.68091207155624 158.925 > 5 19 Tb 0.50000000000000 0.44575335480544 0.25000000000000 158.925 > 7 20 Tb 0.50000000000000 0.94575335480544 0.25000000000000 158.925 > 7 21 Tb 0.79884831273878 0.06213022178168 0.81908792844376 158.925 > 9 22 Tb 0.79884831273878 0.56213022178168 0.81908792844376 158.925 > 9 23 Tb 0.50000000000000 0.05424664519456 0.75000000000000 158.925 > 11 24 Tb 0.50000000000000 0.55424664519456 0.75000000000000 158.925 > 11 25 Si 0.34137670200948 0.01895258006474 0.97421204830589 28.085 > 25 26 Si 0.34137670200948 0.51895258006474 0.97421204830589 28.085 > 25 27 Si 0.34137670200948 0.48104741993526 0.47421204830589 28.085 > 27 28 Si 0.34137670200948 0.98104741993526 0.47421204830589 28.085 > 27 29 Si 0.15862329799052 0.26895258006474 0.52578795169411 28.085 > 29 30 Si 0.15862329799052 0.76895258006474 0.52578795169411 28.085 > 29 31 Si 0.15862329799052 0.23104741993526 0.02578795169411 28.085 > 31 32 Si 0.15862329799052 0.73104741993526 0.02578795169411 28.085 > 31 33 Si 0.84137670200948 0.26895258006474 0.97421204830589 28.085 > 25 34 Si 0.84137670200948 0.76895258006474 0.97421204830589 28.085 > 25 35 Si 0.84137670200948 0.23104741993526 0.47421204830589 28.085 > 27 36 Si 0.84137670200948 0.73104741993526 0.47421204830589 28.085 > 27 37 Si 0.65862329799052 0.01895258006474 0.52578795169411 28.085 > 29 38 Si 0.65862329799052 0.51895258006474 0.52578795169411 28.085 > 29 39 Si 0.65862329799052 0.48104741993526 0.02578795169411 28.085 > 31 40 Si 0.65862329799052 0.98104741993526 0.02578795169411 28.085 > 31 41 S 0.28516774835237 0.28485759377862 0.08631225330012 32.065 > 41 42 S 0.28516774835237 0.78485759377862 0.08631225330012 32.065 > 41 43 S 0.35287178620383 0.05014877609820 0.17178116871793 32.065 > 43 44 S 0.35287178620383 0.55014877609820 0.17178116871793 32.065 > 43 45 S 0.21483225164763 0.03485759377862 0.41368774669988 32.065 > 45 46 S 0.21483225164763 0.53485759377862 0.41368774669988 32.065 > 45 47 S 0.14712821379617 0.30014877609820 0.32821883128207 32.065 > 47 48 S 0.14712821379617 0.80014877609820 0.32821883128207 32.065 > 47 49 S 0.14712821379617 0.19985122390180 0.82821883128207 32.065 > 49 50 S 0.14712821379617 0.69985122390180 0.82821883128207 32.065 > 49 51 S 0.06549217419878 0.33183522620569 0.03670208785066 32.065 > 51 52 S 0.06549217419878 0.83183522620569 0.03670208785066 32.065 > 51 53 S 0.35287178620383 0.44985122390180 0.67178116871793 32.065 > 53 54 S 0.35287178620383 0.94985122390180 0.67178116871793 32.065 > 53 55 S 0.35601148042554 0.37308396787215 0.35220287028205 32.065 > 55 56 S 0.35601148042554 0.87308396787215 0.35220287028205 32.065 > 55 57 S 0.35601148042554 0.12691603212785 0.85220287028205 32.065 > 57 58 S 0.35601148042554 0.62691603212785 0.85220287028205 32.065 > 57 59 S 0.43450782580122 0.08183522620569 0.46329791214934 32.065 > 59 60 S 0.43450782580122 0.58183522620569 0.46329791214934 32.065 > 59 61 S 0.06549217419878 0.16816477379431 0.53670208785066 32.065 > 61 62 S 0.06549217419878 0.66816477379431 0.53670208785066 32.065 > 61 63 S 0.21483225164763 0.46514240622138 0.91368774669988 32.065 > 63 64 S 0.21483225164763 0.96514240622138 0.91368774669988 32.065 > 63 65 S 0.14398851957446 0.12308396787215 0.14779712971795 32.065 > 65 66 S 0.14398851957446 0.62308396787215 0.14779712971795 32.065 > 65 67 S 0.28516774835237 0.21514240622138 0.58631225330012 32.065 > 67 68 S 0.28516774835237 0.71514240622138 0.58631225330012 32.065 > 67 69 S 0.43450782580122 0.41816477379431 0.96329791214934 32.065 > 69 70 S 0.43450782580122 0.91816477379431 0.96329791214934 32.065 > 69 71 S 0.14398851957446 0.37691603212785 0.64779712971795 32.065 > 71 72 S 0.14398851957446 0.87691603212785 0.64779712971795 32.065 > 71 73 S 0.78516774835237 0.03485759377862 0.08631225330012 32.065 > 41 74 S 0.78516774835237 0.53485759377862 0.08631225330012 32.065 > 41 75 S 0.85287178620382 0.30014877609820 0.17178116871793 32.065 > 43 76 S 0.85287178620382 0.80014877609820 0.17178116871793 32.065 > 43 77 S 0.71483225164763 0.28485759377862 0.41368774669988 32.065 > 45 78 S 0.71483225164763 0.78485759377862 0.41368774669988 32.065 > 45 79 S 0.64712821379618 0.05014877609820 0.32821883128207 32.065 > 47 80 S 0.64712821379618 0.55014877609820 0.32821883128207 32.065 > 47 81 S 0.64712821379618 0.44985122390180 0.82821883128207 32.065 > 49 82 S 0.64712821379618 0.94985122390180 0.82821883128207 32.065 > 49 83 S 0.56549217419878 0.08183522620569 0.03670208785066 32.065 > 51 84 S 0.56549217419878 0.58183522620569 0.03670208785066 32.065 > 51 85 S 0.85287178620382 0.19985122390180 0.67178116871793 32.065 > 53 86 S 0.85287178620382 0.69985122390180 0.67178116871793 32.065 > 53 87 S 0.85601148042554 0.12308396787215 0.35220287028205 32.065 > 55 88 S 0.85601148042554 0.62308396787215 0.35220287028205 32.065 > 55 89 S 0.85601148042554 0.37691603212785 0.85220287028205 32.065 > 57 90 S 0.85601148042554 0.87691603212785 0.85220287028205 32.065 > 57 91 S 0.93450782580122 0.33183522620569 0.46329791214934 32.065 > 59 92 S 0.93450782580122 0.83183522620569 0.46329791214934 32.065 > 59 93 S 0.56549217419878 0.41816477379431 0.53670208785066 32.065 > 61 94 S 0.56549217419878 0.91816477379431 0.53670208785066 32.065 > 61 95 S 0.71483225164763 0.21514240622138 0.91368774669988 32.065 > 63 96 S 0.71483225164763 0.71514240622138 0.91368774669988 32.065 > 63 97 S 0.64398851957446 0.37308396787215 0.14779712971795 32.065 > 65 98 S 0.64398851957446 0.87308396787215 0.14779712971795 32.065 > 65 99 S 0.78516774835237 0.46514240622138 0.58631225330012 32.065 > 67 100 S 0.78516774835237 0.96514240622138 0.58631225330012 32.065 > 67 101 S 0.93450782580122 0.16816477379431 0.96329791214934 32.065 > 69 102 S 0.93450782580122 0.66816477379431 0.96329791214934 32.065 > 69 103 S 0.64398851957446 0.12691603212785 0.64779712971795 32.065 > 71 104 S 0.64398851957446 0.62691603212785 0.64779712971795 32.065 > 71 105 I 0.00000000000000 0.49090989808076 0.25000000000000 126.904 > 105 106 I 0.00000000000000 0.99090989808076 0.25000000000000 126.904 > 105 107 I 0.00000000000000 0.00909010191924 0.75000000000000 126.904 > 107 108 I 0.00000000000000 0.50909010191924 0.75000000000000 126.904 > 107 109 I 0.50000000000000 0.24090989808076 0.25000000000000 126.904 > 105 110 I 0.50000000000000 0.74090989808076 0.25000000000000 126.904 > 105 111 I 0.50000000000000 0.25909010191924 0.75000000000000 126.904 > 107 112 I 0.50000000000000 0.75909010191924 0.75000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1475896 0.0000000 -0.0441783 0.0000000 6.9843365 0.0000000 -0.0441805 0.0000000 7.1891332 -------------------------- Born effective charges -------------------------- 1 Tb 3.5884560 -0.2796422 -0.0843581 -0.1374701 4.2537958 -0.2693038 -0.2634109 0.0467173 3.8228399 2 Tb 3.5884560 0.2796422 -0.0843581 0.1374701 4.2537958 0.2693038 -0.2634109 -0.0467173 3.8228399 3 Tb 3.5884560 -0.2796422 -0.0843581 -0.1374701 4.2537958 -0.2693038 -0.2634109 0.0467173 3.8228399 4 Tb 4.5198846 0.0000000 -0.0372148 0.0000000 3.1335157 0.0000000 0.0199559 0.0000000 3.9179781 5 Tb 3.5884560 0.2796422 -0.0843581 0.1374701 4.2537958 0.2693038 -0.2634109 -0.0467173 3.8228399 6 Tb 4.5198846 0.0000000 -0.0372148 0.0000000 3.1335157 0.0000000 0.0199559 0.0000000 3.9179781 7 Si 2.3877579 -0.0016634 -0.1886276 0.3498466 2.5238799 -0.2291944 -0.0199275 -0.1591265 3.4042082 8 Si 2.3877579 0.0016634 -0.1886276 -0.3498466 2.5238799 0.2291944 -0.0199275 0.1591265 3.4042082 9 Si 2.3877579 0.0016634 -0.1886276 -0.3498466 2.5238799 0.2291944 -0.0199275 0.1591265 3.4042082 10 Si 2.3877579 -0.0016634 -0.1886276 0.3498466 2.5238799 -0.2291944 -0.0199275 -0.1591265 3.4042082 11 S -1.5929378 -0.3366325 0.0752302 -0.3712110 -1.7192201 0.0857702 0.0682395 0.1757282 -2.5348610 12 S -1.8670986 0.2937343 0.2133932 0.2720469 -1.7001965 -0.4473845 0.2642507 -0.5371804 -2.4619986 13 S -1.5929378 0.3366325 0.0752302 0.3712110 -1.7192201 -0.0857702 0.0682395 -0.1757282 -2.5348610 14 S -1.8670986 -0.2937343 0.2133932 -0.2720469 -1.7001965 0.4473845 0.2642507 0.5371804 -2.4619986 15 S -1.8670986 0.2937343 0.2133932 0.2720469 -1.7001965 -0.4473845 0.2642507 -0.5371804 -2.4619986 16 S -1.9701908 -0.0594126 -0.2855184 -0.1277847 -1.7372551 -0.0019788 -0.3263704 -0.0839305 -2.2244118 17 S -1.8670986 -0.2937343 0.2133932 -0.2720469 -1.7001965 0.4473845 0.2642507 0.5371804 -2.4619986 18 S -1.7346226 -0.1455346 0.1004360 -0.1941554 -2.3551575 -0.5359089 0.1578512 -0.4380791 -1.7015369 19 S -1.7346226 0.1455346 0.1004360 0.1941554 -2.3551575 0.5359089 0.1578512 0.4380791 -1.7015369 20 S -1.9701908 0.0594126 -0.2855184 0.1277847 -1.7372551 0.0019788 -0.3263704 0.0839305 -2.2244118 21 S -1.9701908 0.0594126 -0.2855184 0.1277847 -1.7372551 0.0019788 -0.3263704 0.0839305 -2.2244118 22 S -1.5929378 -0.3366325 0.0752302 -0.3712110 -1.7192201 0.0857702 0.0682395 0.1757282 -2.5348610 23 S -1.7346226 0.1455346 0.1004360 0.1941554 -2.3551575 0.5359089 0.1578512 0.4380791 -1.7015369 24 S -1.5929378 0.3366325 0.0752302 0.3712110 -1.7192201 -0.0857702 0.0682395 -0.1757282 -2.5348610 25 S -1.9701908 -0.0594126 -0.2855184 -0.1277847 -1.7372551 -0.0019788 -0.3263704 -0.0839305 -2.2244118 26 S -1.7346226 -0.1455346 0.1004360 -0.1941554 -2.3551575 -0.5359089 0.1578512 -0.4380791 -1.7015369 27 I -2.1426129 0.0000000 0.3761041 0.0000000 -1.6652085 0.0000000 0.2187790 0.0000000 -0.5264577 28 I -2.1426129 0.0000000 0.3761041 0.0000000 -1.6652085 0.0000000 0.2187790 0.0000000 -0.5264577 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 43, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 51, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 55, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:31:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:31:58]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.715532791956609 -3.784552505000000 0.000000000000000 b 7.715532791956609 3.784552505000000 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): 1 Tb 0.92310875630213 0.67458786917542 0.31908792844376 158.925 2 Tb 0.32541213082458 0.07689124369787 0.18091207155624 158.925 3 Tb 0.07689124369787 0.32541213082458 0.68091207155624 158.925 4 Tb 0.60849329038912 0.39150670961088 0.25000000000000 158.925 5 Tb 0.67458786917542 0.92310875630213 0.81908792844376 158.925 6 Tb 0.39150670961088 0.60849329038912 0.75000000000000 158.925 7 Si 0.30347154188000 0.37928186213897 0.97421204830589 28.085 8 Si 0.37928186213897 0.30347154188000 0.47421204830589 28.085 9 Si 0.62071813786103 0.69652845812000 0.52578795169411 28.085 10 Si 0.69652845812000 0.62071813786103 0.02578795169411 28.085 11 S 0.71545256079512 0.85488293590962 0.08631225330012 32.065 12 S 0.25257423400743 0.45316933840022 0.17178116871793 32.065 13 S 0.14511706409038 0.28454743920488 0.41368774669988 32.065 14 S 0.54683066159978 0.74742576599257 0.32821883128207 32.065 15 S 0.74742576599257 0.54683066159978 0.82821883128207 32.065 16 S 0.40182172178740 0.72916262661017 0.03670208785066 32.065 17 S 0.45316933840022 0.25257423400743 0.67178116871793 32.065 18 S 0.60984354468124 0.10217941616984 0.35220287028205 32.065 19 S 0.10217941616984 0.60984354468124 0.85220287028205 32.065 20 S 0.27083737338983 0.59817827821260 0.46329791214934 32.065 21 S 0.72916262661017 0.40182172178740 0.53670208785066 32.065 22 S 0.28454743920488 0.14511706409038 0.91368774669988 32.065 23 S 0.89782058383016 0.39015645531876 0.14779712971795 32.065 24 S 0.85488293590962 0.71545256079512 0.58631225330012 32.065 25 S 0.59817827821260 0.27083737338983 0.96329791214934 32.065 26 S 0.39015645531876 0.89782058383016 0.64779712971795 32.065 27 I 0.01818020383848 0.98181979616152 0.25000000000000 126.904 28 I 0.98181979616152 0.01818020383848 0.75000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.431065583913218 0.000000000000000 0.000000000000000 b 0.000000000000000 15.138210020000001 0.000000000000000 c -1.582512648252933 0.000000000000000 10.408693702096395 Atomic positions (fractional): 1 Tb 0.29884831273878 0.18786977821832 0.31908792844376 158.925 > 1 2 Tb 0.29884831273878 0.68786977821832 0.31908792844376 158.925 > 1 3 Tb 0.20115168726122 0.43786977821832 0.18091207155624 158.925 > 3 4 Tb 0.20115168726122 0.93786977821832 0.18091207155624 158.925 > 3 5 Tb 0.20115168726122 0.06213022178168 0.68091207155624 158.925 > 5 6 Tb 0.20115168726122 0.56213022178168 0.68091207155624 158.925 > 5 7 Tb 0.00000000000000 0.19575335480544 0.25000000000000 158.925 > 7 8 Tb 0.00000000000000 0.69575335480544 0.25000000000000 158.925 > 7 9 Tb 0.29884831273878 0.31213022178168 0.81908792844376 158.925 > 9 10 Tb 0.29884831273878 0.81213022178168 0.81908792844376 158.925 > 9 11 Tb 0.00000000000000 0.30424664519456 0.75000000000000 158.925 > 11 12 Tb 0.00000000000000 0.80424664519456 0.75000000000000 158.925 > 11 13 Tb 0.79884831273878 0.43786977821832 0.31908792844376 158.925 > 1 14 Tb 0.79884831273878 0.93786977821832 0.31908792844376 158.925 > 1 15 Tb 0.70115168726122 0.18786977821832 0.18091207155624 158.925 > 3 16 Tb 0.70115168726122 0.68786977821832 0.18091207155624 158.925 > 3 17 Tb 0.70115168726122 0.31213022178168 0.68091207155624 158.925 > 5 18 Tb 0.70115168726122 0.81213022178168 0.68091207155624 158.925 > 5 19 Tb 0.50000000000000 0.44575335480544 0.25000000000000 158.925 > 7 20 Tb 0.50000000000000 0.94575335480544 0.25000000000000 158.925 > 7 21 Tb 0.79884831273878 0.06213022178168 0.81908792844376 158.925 > 9 22 Tb 0.79884831273878 0.56213022178168 0.81908792844376 158.925 > 9 23 Tb 0.50000000000000 0.05424664519456 0.75000000000000 158.925 > 11 24 Tb 0.50000000000000 0.55424664519456 0.75000000000000 158.925 > 11 25 Si 0.34137670200948 0.01895258006474 0.97421204830589 28.085 > 25 26 Si 0.34137670200948 0.51895258006474 0.97421204830589 28.085 > 25 27 Si 0.34137670200948 0.48104741993526 0.47421204830589 28.085 > 27 28 Si 0.34137670200948 0.98104741993526 0.47421204830589 28.085 > 27 29 Si 0.15862329799052 0.26895258006474 0.52578795169411 28.085 > 29 30 Si 0.15862329799052 0.76895258006474 0.52578795169411 28.085 > 29 31 Si 0.15862329799052 0.23104741993526 0.02578795169411 28.085 > 31 32 Si 0.15862329799052 0.73104741993526 0.02578795169411 28.085 > 31 33 Si 0.84137670200948 0.26895258006474 0.97421204830589 28.085 > 25 34 Si 0.84137670200948 0.76895258006474 0.97421204830589 28.085 > 25 35 Si 0.84137670200948 0.23104741993526 0.47421204830589 28.085 > 27 36 Si 0.84137670200948 0.73104741993526 0.47421204830589 28.085 > 27 37 Si 0.65862329799052 0.01895258006474 0.52578795169411 28.085 > 29 38 Si 0.65862329799052 0.51895258006474 0.52578795169411 28.085 > 29 39 Si 0.65862329799052 0.48104741993526 0.02578795169411 28.085 > 31 40 Si 0.65862329799052 0.98104741993526 0.02578795169411 28.085 > 31 41 S 0.28516774835237 0.28485759377862 0.08631225330012 32.065 > 41 42 S 0.28516774835237 0.78485759377862 0.08631225330012 32.065 > 41 43 S 0.35287178620383 0.05014877609820 0.17178116871793 32.065 > 43 44 S 0.35287178620383 0.55014877609820 0.17178116871793 32.065 > 43 45 S 0.21483225164763 0.03485759377862 0.41368774669988 32.065 > 45 46 S 0.21483225164763 0.53485759377862 0.41368774669988 32.065 > 45 47 S 0.14712821379617 0.30014877609820 0.32821883128207 32.065 > 47 48 S 0.14712821379617 0.80014877609820 0.32821883128207 32.065 > 47 49 S 0.14712821379617 0.19985122390180 0.82821883128207 32.065 > 49 50 S 0.14712821379617 0.69985122390180 0.82821883128207 32.065 > 49 51 S 0.06549217419878 0.33183522620569 0.03670208785066 32.065 > 51 52 S 0.06549217419878 0.83183522620569 0.03670208785066 32.065 > 51 53 S 0.35287178620383 0.44985122390180 0.67178116871793 32.065 > 53 54 S 0.35287178620383 0.94985122390180 0.67178116871793 32.065 > 53 55 S 0.35601148042554 0.37308396787215 0.35220287028205 32.065 > 55 56 S 0.35601148042554 0.87308396787215 0.35220287028205 32.065 > 55 57 S 0.35601148042554 0.12691603212785 0.85220287028205 32.065 > 57 58 S 0.35601148042554 0.62691603212785 0.85220287028205 32.065 > 57 59 S 0.43450782580122 0.08183522620569 0.46329791214934 32.065 > 59 60 S 0.43450782580122 0.58183522620569 0.46329791214934 32.065 > 59 61 S 0.06549217419878 0.16816477379431 0.53670208785066 32.065 > 61 62 S 0.06549217419878 0.66816477379431 0.53670208785066 32.065 > 61 63 S 0.21483225164763 0.46514240622138 0.91368774669988 32.065 > 63 64 S 0.21483225164763 0.96514240622138 0.91368774669988 32.065 > 63 65 S 0.14398851957446 0.12308396787215 0.14779712971795 32.065 > 65 66 S 0.14398851957446 0.62308396787215 0.14779712971795 32.065 > 65 67 S 0.28516774835237 0.21514240622138 0.58631225330012 32.065 > 67 68 S 0.28516774835237 0.71514240622138 0.58631225330012 32.065 > 67 69 S 0.43450782580122 0.41816477379431 0.96329791214934 32.065 > 69 70 S 0.43450782580122 0.91816477379431 0.96329791214934 32.065 > 69 71 S 0.14398851957446 0.37691603212785 0.64779712971795 32.065 > 71 72 S 0.14398851957446 0.87691603212785 0.64779712971795 32.065 > 71 73 S 0.78516774835237 0.03485759377862 0.08631225330012 32.065 > 41 74 S 0.78516774835237 0.53485759377862 0.08631225330012 32.065 > 41 75 S 0.85287178620382 0.30014877609820 0.17178116871793 32.065 > 43 76 S 0.85287178620382 0.80014877609820 0.17178116871793 32.065 > 43 77 S 0.71483225164763 0.28485759377862 0.41368774669988 32.065 > 45 78 S 0.71483225164763 0.78485759377862 0.41368774669988 32.065 > 45 79 S 0.64712821379618 0.05014877609820 0.32821883128207 32.065 > 47 80 S 0.64712821379618 0.55014877609820 0.32821883128207 32.065 > 47 81 S 0.64712821379618 0.44985122390180 0.82821883128207 32.065 > 49 82 S 0.64712821379618 0.94985122390180 0.82821883128207 32.065 > 49 83 S 0.56549217419878 0.08183522620569 0.03670208785066 32.065 > 51 84 S 0.56549217419878 0.58183522620569 0.03670208785066 32.065 > 51 85 S 0.85287178620382 0.19985122390180 0.67178116871793 32.065 > 53 86 S 0.85287178620382 0.69985122390180 0.67178116871793 32.065 > 53 87 S 0.85601148042554 0.12308396787215 0.35220287028205 32.065 > 55 88 S 0.85601148042554 0.62308396787215 0.35220287028205 32.065 > 55 89 S 0.85601148042554 0.37691603212785 0.85220287028205 32.065 > 57 90 S 0.85601148042554 0.87691603212785 0.85220287028205 32.065 > 57 91 S 0.93450782580122 0.33183522620569 0.46329791214934 32.065 > 59 92 S 0.93450782580122 0.83183522620569 0.46329791214934 32.065 > 59 93 S 0.56549217419878 0.41816477379431 0.53670208785066 32.065 > 61 94 S 0.56549217419878 0.91816477379431 0.53670208785066 32.065 > 61 95 S 0.71483225164763 0.21514240622138 0.91368774669988 32.065 > 63 96 S 0.71483225164763 0.71514240622138 0.91368774669988 32.065 > 63 97 S 0.64398851957446 0.37308396787215 0.14779712971795 32.065 > 65 98 S 0.64398851957446 0.87308396787215 0.14779712971795 32.065 > 65 99 S 0.78516774835237 0.46514240622138 0.58631225330012 32.065 > 67 100 S 0.78516774835237 0.96514240622138 0.58631225330012 32.065 > 67 101 S 0.93450782580122 0.16816477379431 0.96329791214934 32.065 > 69 102 S 0.93450782580122 0.66816477379431 0.96329791214934 32.065 > 69 103 S 0.64398851957446 0.12691603212785 0.64779712971795 32.065 > 71 104 S 0.64398851957446 0.62691603212785 0.64779712971795 32.065 > 71 105 I 0.00000000000000 0.49090989808076 0.25000000000000 126.904 > 105 106 I 0.00000000000000 0.99090989808076 0.25000000000000 126.904 > 105 107 I 0.00000000000000 0.00909010191924 0.75000000000000 126.904 > 107 108 I 0.00000000000000 0.50909010191924 0.75000000000000 126.904 > 107 109 I 0.50000000000000 0.24090989808076 0.25000000000000 126.904 > 105 110 I 0.50000000000000 0.74090989808076 0.25000000000000 126.904 > 105 111 I 0.50000000000000 0.25909010191924 0.75000000000000 126.904 > 107 112 I 0.50000000000000 0.75909010191924 0.75000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.1475896 0.0000000 -0.0441783 0.0000000 6.9843365 0.0000000 -0.0441805 0.0000000 7.1891332 -------------------------- Born effective charges -------------------------- 1 Tb 3.5884560 -0.2796422 -0.0843581 -0.1374701 4.2537958 -0.2693038 -0.2634109 0.0467173 3.8228399 2 Tb 3.5884560 0.2796422 -0.0843581 0.1374701 4.2537958 0.2693038 -0.2634109 -0.0467173 3.8228399 3 Tb 3.5884560 -0.2796422 -0.0843581 -0.1374701 4.2537958 -0.2693038 -0.2634109 0.0467173 3.8228399 4 Tb 4.5198846 0.0000000 -0.0372148 0.0000000 3.1335157 0.0000000 0.0199559 0.0000000 3.9179781 5 Tb 3.5884560 0.2796422 -0.0843581 0.1374701 4.2537958 0.2693038 -0.2634109 -0.0467173 3.8228399 6 Tb 4.5198846 0.0000000 -0.0372148 0.0000000 3.1335157 0.0000000 0.0199559 0.0000000 3.9179781 7 Si 2.3877579 -0.0016634 -0.1886276 0.3498466 2.5238799 -0.2291944 -0.0199275 -0.1591265 3.4042082 8 Si 2.3877579 0.0016634 -0.1886276 -0.3498466 2.5238799 0.2291944 -0.0199275 0.1591265 3.4042082 9 Si 2.3877579 0.0016634 -0.1886276 -0.3498466 2.5238799 0.2291944 -0.0199275 0.1591265 3.4042082 10 Si 2.3877579 -0.0016634 -0.1886276 0.3498466 2.5238799 -0.2291944 -0.0199275 -0.1591265 3.4042082 11 S -1.5929378 -0.3366325 0.0752302 -0.3712110 -1.7192201 0.0857702 0.0682395 0.1757282 -2.5348610 12 S -1.8670986 0.2937343 0.2133932 0.2720469 -1.7001965 -0.4473845 0.2642507 -0.5371804 -2.4619986 13 S -1.5929378 0.3366325 0.0752302 0.3712110 -1.7192201 -0.0857702 0.0682395 -0.1757282 -2.5348610 14 S -1.8670986 -0.2937343 0.2133932 -0.2720469 -1.7001965 0.4473845 0.2642507 0.5371804 -2.4619986 15 S -1.8670986 0.2937343 0.2133932 0.2720469 -1.7001965 -0.4473845 0.2642507 -0.5371804 -2.4619986 16 S -1.9701908 -0.0594126 -0.2855184 -0.1277847 -1.7372551 -0.0019788 -0.3263704 -0.0839305 -2.2244118 17 S -1.8670986 -0.2937343 0.2133932 -0.2720469 -1.7001965 0.4473845 0.2642507 0.5371804 -2.4619986 18 S -1.7346226 -0.1455346 0.1004360 -0.1941554 -2.3551575 -0.5359089 0.1578512 -0.4380791 -1.7015369 19 S -1.7346226 0.1455346 0.1004360 0.1941554 -2.3551575 0.5359089 0.1578512 0.4380791 -1.7015369 20 S -1.9701908 0.0594126 -0.2855184 0.1277847 -1.7372551 0.0019788 -0.3263704 0.0839305 -2.2244118 21 S -1.9701908 0.0594126 -0.2855184 0.1277847 -1.7372551 0.0019788 -0.3263704 0.0839305 -2.2244118 22 S -1.5929378 -0.3366325 0.0752302 -0.3712110 -1.7192201 0.0857702 0.0682395 0.1757282 -2.5348610 23 S -1.7346226 0.1455346 0.1004360 0.1941554 -2.3551575 0.5359089 0.1578512 0.4380791 -1.7015369 24 S -1.5929378 0.3366325 0.0752302 0.3712110 -1.7192201 -0.0857702 0.0682395 -0.1757282 -2.5348610 25 S -1.9701908 -0.0594126 -0.2855184 -0.1277847 -1.7372551 -0.0019788 -0.3263704 -0.0839305 -2.2244118 26 S -1.7346226 -0.1455346 0.1004360 -0.1941554 -2.3551575 -0.5359089 0.1578512 -0.4380791 -1.7015369 27 I -2.1426129 0.0000000 0.3761041 0.0000000 -1.6652085 0.0000000 0.2187790 0.0000000 -0.5264577 28 I -2.1426129 0.0000000 0.3761041 0.0000000 -1.6652085 0.0000000 0.2187790 0.0000000 -0.5264577 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 8.005 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 11.949 ( 0.000 0.000 0.000) 0.000 12.064 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 15.733 ( 0.000 0.000 0.000) 0.000 15.894 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 16.103 ( 0.000 0.000 0.000) 0.000 16.152 ( 0.000 0.000 0.000) 0.000 16.347 ( 0.000 0.000 0.000) 0.000 16.437 ( 0.000 0.000 0.000) 0.000 16.444 ( 0.000 0.000 0.000) 0.000 16.925 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.301 -23.046 2.362) 23.169 0.538 ( 4.462 -24.981 -0.168) 25.377 0.915 ( 21.609 -34.634 0.768) 40.829 1.262 ( -1.140 0.244 0.608) 1.315 1.377 ( -0.393 0.905 -0.391) 1.061 1.570 ( -3.926 -2.709 -0.587) 4.806 1.629 ( 1.496 -4.618 0.049) 4.855 1.703 ( 4.542 -3.098 0.845) 5.562 2.023 ( 1.008 0.257 1.828) 2.103 2.056 ( -4.524 -2.076 -5.864) 7.692 2.167 ( -1.493 2.616 4.821) 5.684 2.215 ( -3.127 4.171 0.252) 5.219 2.327 ( 4.949 5.718 -3.050) 8.154 2.423 ( 5.916 1.369 0.642) 6.106 2.496 ( 1.525 -3.605 -0.322) 3.928 2.561 ( -0.634 2.789 1.061) 3.051 2.601 ( 1.716 4.152 -0.884) 4.579 2.887 ( 0.642 6.858 -0.280) 6.893 2.947 ( 0.671 5.128 0.094) 5.173 3.002 ( -0.571 1.434 -0.125) 1.549 3.215 ( -0.443 4.451 0.771) 4.539 3.229 ( 0.626 -4.808 0.472) 4.872 3.381 ( -3.663 1.898 -2.623) 4.889 3.437 ( -0.559 4.511 -0.940) 4.641 3.793 ( -0.937 -3.299 -0.082) 3.431 3.844 ( -5.168 -2.572 0.345) 5.783 3.949 ( -1.650 -3.431 0.437) 3.832 4.013 ( 2.165 3.065 -1.713) 4.125 4.055 ( 2.727 0.320 1.300) 3.038 4.144 ( -6.008 -3.214 5.495) 8.753 4.257 ( 2.479 -0.598 -5.532) 6.092 4.281 ( -0.290 -2.805 -0.587) 2.880 4.352 ( 3.632 -1.051 5.674) 6.819 4.461 ( -1.091 1.518 -0.216) 1.882 4.628 ( 2.553 0.874 -3.020) 4.050 4.743 ( -1.687 4.377 -0.986) 4.793 4.806 ( 0.490 -0.525 3.398) 3.473 4.966 ( -5.313 -1.417 3.828) 6.700 5.123 ( -0.746 -1.135 0.458) 1.434 5.158 ( 1.797 1.109 -9.170) 9.410 5.231 ( 1.695 1.662 1.341) 2.726 5.459 ( 1.273 2.519 -0.966) 2.983 5.517 ( -0.815 -3.151 -1.063) 3.424 5.612 ( -0.142 -4.233 1.234) 4.412 5.838 ( 0.095 -1.747 1.858) 2.552 5.995 ( -1.406 0.056 -1.390) 1.979 6.036 ( 0.185 0.535 2.443) 2.508 6.190 ( -1.198 -3.120 0.193) 3.348 6.201 ( 0.433 -3.896 -0.266) 3.929 6.310 ( -1.876 2.869 0.412) 3.453 6.402 ( 0.480 1.337 0.675) 1.573 6.767 ( 1.253 5.571 -0.193) 5.713 6.970 ( -6.517 6.168 2.403) 9.289 7.047 ( -1.453 -0.323 -1.315) 1.986 7.209 ( 2.673 2.513 1.443) 3.942 7.342 ( 3.783 5.512 0.396) 6.697 7.648 ( -0.284 -6.070 -0.867) 6.138 7.716 ( -9.542 -5.617 4.015) 11.779 7.904 ( 4.994 5.551 -2.506) 7.876 7.976 ( 1.056 1.965 1.973) 2.978 8.128 ( 8.131 0.307 -11.550) 14.129 8.237 ( -1.616 -2.991 2.264) 4.084 8.304 ( 1.217 1.013 8.986) 9.124 8.393 ( 2.924 -2.060 -2.337) 4.272 8.516 ( 2.022 -2.324 -2.969) 4.279 8.670 ( -3.957 0.479 -1.199) 4.162 8.802 ( 1.870 1.896 1.485) 3.049 8.998 ( -0.100 0.862 -0.020) 0.868 11.955 ( -0.270 -0.618 -0.685) 0.961 12.059 ( 0.428 1.003 0.612) 1.250 12.074 ( 0.424 -0.855 0.309) 1.003 12.300 ( -0.928 0.639 -0.416) 1.201 15.441 ( -0.386 -1.799 -0.306) 1.866 15.663 ( -5.720 -5.302 -2.120) 8.082 15.728 ( -0.536 0.851 3.689) 3.824 15.875 ( 1.479 2.853 -1.045) 3.379 15.912 ( 3.770 2.469 -1.292) 4.688 15.955 ( 1.059 0.580 0.213) 1.227 16.155 ( 0.484 0.111 -0.061) 0.500 16.332 ( -3.680 0.510 -1.964) 4.202 16.423 ( 4.347 0.059 -2.169) 4.858 16.451 ( -0.278 -1.266 -0.697) 1.471 16.504 ( -2.268 -2.951 5.889) 6.967 16.972 ( -5.792 1.741 -0.071) 6.049 ======================= Grid point 2 (3/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.368 -20.382 1.980) 20.614 0.990 ( 3.586 -17.571 0.984) 17.960 1.222 ( -2.577 1.758 0.886) 3.243 1.350 ( 0.031 1.052 -0.739) 1.286 1.572 ( 0.123 -6.928 -4.408) 8.212 1.611 ( 2.212 -13.267 0.451) 13.457 1.727 ( -2.028 -6.945 6.626) 9.810 1.867 ( 8.109 -5.828 -2.339) 10.257 2.023 ( -0.028 -1.150 0.935) 1.482 2.050 ( -1.055 0.243 -1.311) 1.701 2.143 ( 0.832 -2.362 0.494) 2.553 2.167 ( -0.743 -1.671 0.996) 2.082 2.264 ( 3.656 3.914 -3.821) 6.580 2.392 ( 0.331 4.877 4.626) 6.730 2.499 ( -0.026 6.229 0.403) 6.243 2.522 ( 0.455 3.128 -2.860) 4.263 2.571 ( 7.972 -0.058 -1.457) 8.104 2.756 ( 3.922 7.033 1.830) 8.257 2.849 ( -1.473 4.287 0.621) 4.575 2.971 ( -0.025 0.043 -0.576) 0.578 3.169 ( 1.391 0.946 -1.615) 2.332 3.293 ( -1.394 1.246 2.684) 3.270 3.322 ( -0.273 0.127 -4.988) 4.997 3.333 ( -1.120 3.086 1.761) 3.726 3.767 ( -5.922 3.509 0.612) 6.911 3.903 ( -4.533 -5.646 -0.359) 7.250 3.932 ( -1.195 0.392 0.196) 1.273 4.000 ( 3.492 1.438 1.073) 3.926 4.097 ( 1.138 -1.234 -1.149) 2.034 4.160 ( -3.546 -1.679 5.012) 6.365 4.275 ( 0.529 -0.613 -2.249) 2.390 4.305 ( 2.046 -0.270 -1.589) 2.604 4.374 ( -2.537 2.287 -0.183) 3.421 4.465 ( 0.798 -3.472 2.186) 4.180 4.634 ( -1.573 -0.809 -5.346) 5.631 4.649 ( 1.981 3.962 0.218) 4.435 4.828 ( 1.017 0.025 2.822) 3.000 4.939 ( -1.984 0.644 1.020) 2.322 5.102 ( -0.916 0.839 -5.458) 5.597 5.162 ( 0.220 -0.153 1.480) 1.504 5.216 ( 0.400 0.964 1.410) 1.754 5.464 ( 4.504 -0.119 -1.396) 4.717 5.562 ( -2.295 -2.744 -0.759) 3.657 5.679 ( 1.615 -1.997 3.023) 3.966 5.898 ( -0.680 -3.149 3.982) 5.122 5.972 ( -1.665 -0.398 -5.632) 5.886 6.029 ( 0.418 0.470 -0.982) 1.166 6.191 ( -0.971 4.147 4.294) 6.048 6.235 ( -3.450 -2.797 1.248) 4.613 6.323 ( -0.533 -2.567 -1.644) 3.095 6.395 ( 2.697 -1.818 0.688) 3.324 6.655 ( -1.317 5.321 -0.721) 5.529 6.831 ( -5.864 2.056 -0.238) 6.218 7.024 ( 0.342 2.589 1.025) 2.805 7.141 ( -0.173 4.903 0.098) 4.907 7.262 ( 2.930 5.715 -0.728) 6.463 7.716 ( -5.681 -3.819 -0.198) 6.848 7.754 ( 2.291 -0.156 0.399) 2.331 7.845 ( 2.229 2.119 -1.947) 3.640 7.991 ( 4.344 0.195 1.486) 4.595 8.183 ( 1.138 -2.551 -1.459) 3.151 8.276 ( -0.038 -1.161 -0.051) 1.163 8.316 ( -0.260 -1.498 6.776) 6.945 8.466 ( 1.689 -3.265 -1.495) 3.968 8.573 ( -0.111 -1.417 -5.932) 6.100 8.607 ( -2.250 1.715 -0.316) 2.847 8.792 ( 3.144 1.393 2.721) 4.385 8.969 ( -0.909 1.758 -0.379) 2.015 11.965 ( -0.712 -1.024 -0.948) 1.566 12.041 ( 0.741 1.485 0.861) 1.870 12.106 ( 0.799 -1.754 0.666) 2.039 12.270 ( -0.828 1.626 -0.647) 1.936 15.482 ( -0.649 -3.066 -0.574) 3.186 15.678 ( -0.444 2.438 1.350) 2.822 15.739 ( -1.192 -4.141 0.014) 4.309 15.838 ( 1.756 1.973 -0.588) 2.706 15.905 ( 1.217 0.823 -0.952) 1.751 15.944 ( -0.564 0.785 -0.014) 0.967 16.155 ( 0.616 0.311 -0.202) 0.719 16.272 ( -2.837 1.902 -0.632) 3.474 16.463 ( 2.114 0.074 5.153) 5.570 16.491 ( 1.335 -2.546 -1.086) 3.073 16.546 ( -1.099 -2.998 -2.575) 4.102 16.863 ( -4.136 4.449 0.259) 6.080 ======================= Grid point 3 (4/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.765 0.062 0.670) 1.018 1.232 ( 3.852 -9.229 0.532) 10.015 1.266 ( -1.291 -9.103 2.546) 9.540 1.330 ( 1.159 0.888 -1.088) 1.820 1.526 ( -2.670 5.149 -2.708) 6.401 1.775 ( 0.359 -4.921 -1.972) 5.313 1.853 ( -4.619 -4.795 5.012) 8.333 1.969 ( 3.699 -0.864 -2.452) 4.522 2.029 ( -4.492 -3.854 3.320) 6.787 2.071 ( 4.205 -1.551 -0.099) 4.483 2.168 ( -1.852 1.191 -3.009) 3.728 2.233 ( -1.131 1.487 2.822) 3.384 2.277 ( 1.940 -1.147 2.001) 3.014 2.324 ( 1.830 8.300 -3.137) 9.060 2.376 ( 2.047 -0.606 1.535) 2.629 2.407 ( 0.151 5.141 -4.176) 6.626 2.635 ( 3.625 0.858 0.268) 3.735 2.769 ( -2.469 1.797 1.350) 3.339 2.878 ( 10.992 -10.457 2.690) 15.409 3.022 ( 2.291 -2.778 -2.032) 4.135 3.150 ( -1.459 2.825 -2.446) 4.012 3.210 ( 2.108 3.372 -0.556) 4.016 3.298 ( -1.823 -0.387 2.347) 2.997 3.317 ( -4.001 2.113 -0.958) 4.625 3.613 ( -4.101 4.471 0.330) 6.076 3.909 ( 0.371 -0.805 0.385) 0.966 3.948 ( -2.764 -0.296 -0.489) 2.822 3.986 ( -0.474 1.675 1.202) 2.116 4.141 ( 1.950 -2.192 -1.412) 3.256 4.166 ( -1.361 -1.958 1.733) 2.947 4.249 ( -1.662 3.237 0.099) 3.640 4.329 ( -0.365 -0.180 -0.785) 0.884 4.336 ( 0.904 -0.700 0.063) 1.145 4.510 ( 0.358 -0.324 -0.966) 1.080 4.614 ( 0.098 -0.252 2.885) 2.898 4.649 ( 0.155 -0.310 -3.467) 3.484 4.830 ( 1.144 0.556 0.496) 1.365 4.914 ( -0.930 0.625 0.146) 1.130 5.082 ( -0.234 0.138 -1.604) 1.627 5.166 ( 0.469 0.193 0.923) 1.053 5.211 ( -0.669 -0.282 0.463) 0.861 5.513 ( 3.036 -0.485 -0.927) 3.211 5.577 ( -1.257 -0.950 0.474) 1.646 5.719 ( 0.810 -0.406 1.522) 1.772 5.895 ( -3.188 0.424 1.237) 3.445 5.994 ( 1.193 -1.556 -3.707) 4.193 6.051 ( 0.647 -2.572 -3.545) 4.427 6.117 ( 0.170 3.820 5.339) 6.567 6.214 ( -2.884 0.949 2.265) 3.788 6.341 ( 0.183 -0.834 -2.020) 2.193 6.499 ( 1.671 -4.068 0.237) 4.404 6.566 ( -0.736 2.921 0.406) 3.039 6.797 ( -3.550 -2.893 -1.153) 4.722 6.949 ( 1.785 5.690 1.222) 6.087 7.059 ( -0.846 2.247 0.013) 2.401 7.206 ( 1.120 1.867 -0.671) 2.279 7.715 ( -2.448 -0.571 -0.330) 2.536 7.755 ( 1.330 0.585 0.199) 1.467 7.847 ( 0.816 0.198 -0.675) 1.077 8.030 ( 1.838 -0.539 0.253) 1.932 8.234 ( 0.029 -1.942 0.768) 2.089 8.275 ( 0.037 0.695 -0.238) 0.736 8.385 ( 2.140 -3.302 3.844) 5.500 8.497 ( -3.408 2.864 -2.872) 5.298 8.538 ( -0.846 -2.975 0.272) 3.105 8.595 ( 1.289 1.780 -2.403) 3.256 8.829 ( 3.313 -1.350 2.104) 4.150 8.916 ( -2.050 2.112 -0.950) 3.093 11.975 ( -0.527 -0.653 -0.575) 1.017 12.024 ( 0.522 0.870 0.522) 1.141 12.152 ( 0.802 -1.910 0.737) 2.199 12.226 ( -0.748 1.830 -0.701) 2.098 15.540 ( -0.649 -3.684 -0.768) 3.819 15.613 ( 0.336 3.941 1.063) 4.095 15.815 ( 0.101 -3.759 0.046) 3.761 15.829 ( 0.654 0.386 0.021) 0.759 15.886 ( -0.300 1.946 -0.630) 2.067 15.927 ( 0.059 0.439 0.019) 0.443 16.156 ( 0.429 0.033 -0.177) 0.465 16.220 ( -1.268 1.111 -0.058) 1.687 16.478 ( 0.556 0.080 2.348) 2.414 16.538 ( 0.509 -1.111 0.074) 1.224 16.596 ( 0.525 -2.684 -2.545) 3.736 16.751 ( -2.289 3.487 0.676) 4.226 ======================= Grid point 8 (5/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 17.176 0.000 -6.396) 18.328 0.463 ( 23.557 0.000 0.756) 23.569 0.785 ( 40.005 0.000 5.846) 40.430 1.252 ( -1.535 -0.000 0.079) 1.537 1.367 ( -2.207 -0.000 -0.000) 2.207 1.524 ( -5.231 -0.000 1.218) 5.371 1.611 ( 7.192 0.000 -1.984) 7.460 1.709 ( 4.152 0.000 0.772) 4.223 1.967 ( -5.270 -0.000 -2.799) 5.967 2.062 ( 4.850 0.000 -1.184) 4.992 2.187 ( -1.022 -0.000 3.965) 4.095 2.227 ( -8.299 -0.000 -0.524) 8.316 2.418 ( 2.754 0.000 0.703) 2.842 2.443 ( 1.893 0.000 0.666) 2.007 2.545 ( -0.172 -0.000 -6.561) 6.563 2.617 ( 2.626 0.000 0.328) 2.646 2.645 ( 0.596 0.000 0.637) 0.872 2.950 ( -1.275 -0.000 -0.698) 1.454 2.992 ( -0.432 -0.000 -0.276) 0.512 3.053 ( -0.158 -0.000 1.810) 1.816 3.197 ( 2.505 0.000 -4.249) 4.933 3.268 ( -0.874 -0.000 0.147) 0.887 3.303 ( 0.696 0.000 -2.379) 2.479 3.460 ( -2.606 -0.000 0.337) 2.627 3.735 ( -7.823 -0.000 2.381) 8.177 3.802 ( 0.975 0.000 1.133) 1.495 3.862 ( -4.544 -0.000 2.017) 4.972 4.048 ( 2.635 0.000 -2.489) 3.625 4.062 ( 3.404 0.000 1.948) 3.922 4.112 ( -0.470 -0.000 2.516) 2.559 4.219 ( 1.522 0.000 0.540) 1.615 4.300 ( 3.642 0.000 -0.385) 3.663 4.408 ( 0.098 0.000 4.925) 4.926 4.459 ( -1.778 -0.000 -1.989) 2.668 4.682 ( -4.562 -0.000 -2.374) 5.142 4.715 ( -5.865 -0.000 2.189) 6.260 4.828 ( 0.290 0.000 -2.822) 2.837 4.855 ( 0.893 0.000 11.034) 11.070 5.112 ( 0.840 0.000 -3.610) 3.707 5.213 ( 4.476 0.000 -11.609) 12.443 5.225 ( -0.231 -0.000 -2.798) 2.807 5.473 ( -0.527 -0.000 0.555) 0.766 5.526 ( 2.710 0.000 -0.131) 2.713 5.542 ( 1.410 0.000 0.353) 1.453 5.824 ( 0.505 0.000 5.568) 5.591 5.977 ( -2.111 -0.000 -2.152) 3.014 6.046 ( -0.732 -0.000 5.002) 5.056 6.148 ( -2.305 -0.000 -1.829) 2.942 6.160 ( 1.499 0.000 -0.084) 1.501 6.309 ( -5.035 -0.000 -1.760) 5.334 6.419 ( 1.286 0.000 2.927) 3.197 6.879 ( -2.234 -0.000 -1.220) 2.545 6.926 ( -7.470 -0.000 -0.130) 7.472 7.014 ( -8.948 -0.000 4.667) 10.092 7.369 ( 6.604 0.000 9.730) 11.759 7.404 ( -1.524 -0.000 2.737) 3.133 7.506 ( 6.085 0.000 -2.200) 6.471 7.605 ( 1.288 0.000 -1.426) 1.922 7.980 ( 2.706 0.000 4.491) 5.243 8.031 ( 2.894 0.000 -1.513) 3.266 8.148 ( -4.713 -0.000 -2.626) 5.395 8.224 ( 2.807 0.000 -14.507) 14.776 8.328 ( -2.164 -0.000 2.886) 3.608 8.485 ( 0.025 0.000 -0.216) 0.217 8.533 ( 5.460 0.000 0.761) 5.513 8.607 ( -3.849 -0.000 -1.974) 4.325 8.833 ( 1.558 0.000 0.897) 1.798 9.011 ( 0.414 0.000 0.069) 0.419 11.944 ( -0.793 -0.000 -1.322) 1.542 12.072 ( 0.707 0.000 0.640) 0.953 12.080 ( 1.052 0.000 0.974) 1.433 12.286 ( -0.827 -0.000 -0.625) 1.036 15.429 ( 0.320 0.000 0.359) 0.481 15.494 ( -0.916 -0.000 -0.969) 1.334 15.732 ( -0.839 -0.000 2.303) 2.451 15.895 ( 0.162 0.000 -0.382) 0.415 15.928 ( -0.479 -0.000 0.214) 0.525 16.119 ( 1.541 0.000 -0.504) 1.621 16.166 ( 1.406 0.000 0.207) 1.421 16.318 ( 2.194 0.000 -20.939) 21.054 16.361 ( 1.151 0.000 1.507) 1.896 16.441 ( 0.593 0.000 -1.842) 1.935 16.479 ( -3.508 -0.000 22.421) 22.694 16.893 ( -3.328 -0.000 -0.026) 3.328 ======================= Grid point 9 (6/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 13.112 -13.175 7.041) 19.876 0.688 ( 16.821 -12.138 -5.537) 21.469 1.216 ( -3.013 0.729 0.488) 3.138 1.325 ( 5.159 -6.000 -1.139) 7.994 1.411 ( 15.627 -11.770 1.899) 19.655 1.479 ( -5.709 -1.567 1.001) 6.004 1.675 ( 3.820 -0.022 1.265) 4.024 1.825 ( 7.709 -5.727 -0.689) 9.629 1.933 ( -5.071 -3.293 -1.745) 6.293 2.086 ( 1.339 1.878 -0.904) 2.477 2.145 ( -0.699 0.296 -0.892) 1.171 2.164 ( -0.489 1.700 1.550) 2.352 2.393 ( 2.750 4.677 0.045) 5.426 2.472 ( 1.067 1.019 2.037) 2.516 2.523 ( -0.163 0.149 -3.331) 3.339 2.578 ( 1.202 2.613 1.694) 3.338 2.663 ( 4.665 0.877 -0.039) 4.747 2.892 ( -0.110 5.203 0.168) 5.207 2.947 ( -1.117 3.875 -0.729) 4.098 3.006 ( 1.486 3.791 0.568) 4.111 3.204 ( -0.939 2.366 1.786) 3.109 3.247 ( 1.062 -2.803 -0.354) 3.018 3.320 ( -1.473 0.642 -4.280) 4.572 3.409 ( -2.209 2.863 0.464) 3.646 3.716 ( -8.605 -4.939 0.229) 9.924 3.763 ( -2.169 0.837 1.747) 2.908 3.903 ( -1.807 -2.605 2.146) 3.829 4.062 ( 1.855 0.150 -3.232) 3.729 4.087 ( 0.113 1.626 3.143) 3.540 4.123 ( 1.328 -1.713 2.343) 3.192 4.264 ( 0.248 -2.043 -1.678) 2.655 4.323 ( 3.258 0.778 -0.034) 3.349 4.387 ( -0.799 1.852 0.648) 2.118 4.438 ( 0.157 -0.352 -0.443) 0.587 4.601 ( -2.622 0.267 -5.173) 5.806 4.730 ( -2.752 2.193 -1.839) 3.971 4.793 ( -1.009 -2.527 5.759) 6.369 4.909 ( -1.844 -1.857 2.814) 3.843 5.100 ( -1.005 1.030 -7.381) 7.520 5.187 ( 2.854 1.475 0.956) 3.352 5.264 ( 2.808 0.802 -2.672) 3.958 5.489 ( -0.678 -1.860 0.575) 2.062 5.515 ( 3.923 0.680 -1.597) 4.290 5.633 ( 1.165 -4.181 2.316) 4.919 5.855 ( -0.157 -1.833 4.945) 5.276 5.945 ( -2.432 0.270 -3.680) 4.419 6.040 ( -0.476 0.585 1.329) 1.528 6.145 ( -3.527 -2.291 0.202) 4.211 6.222 ( 1.270 -2.957 0.918) 3.346 6.238 ( -5.326 -0.334 -1.902) 5.665 6.426 ( 1.319 1.055 2.238) 2.804 6.733 ( -4.104 6.030 -1.486) 7.444 6.867 ( -4.909 5.927 2.326) 8.040 6.961 ( -5.123 -4.431 0.514) 6.793 7.293 ( 3.782 6.824 -0.090) 7.803 7.408 ( 2.058 6.056 1.430) 6.554 7.582 ( -2.033 -4.455 1.423) 5.100 7.719 ( 4.585 -5.609 -0.937) 7.305 7.960 ( 1.654 6.097 -1.355) 6.461 8.029 ( 2.979 -1.543 4.757) 5.821 8.181 ( 1.428 -1.535 -7.390) 7.681 8.207 ( -1.156 -1.556 1.297) 2.333 8.309 ( -1.495 0.375 4.259) 4.530 8.466 ( 2.335 0.715 1.059) 2.662 8.550 ( -0.563 0.184 -6.734) 6.760 8.605 ( 1.215 -0.760 -0.067) 1.434 8.840 ( 1.531 0.868 1.491) 2.307 8.997 ( -0.069 1.680 -0.027) 1.682 11.940 ( -0.780 -0.643 -1.187) 1.559 12.077 ( 0.962 1.201 1.172) 1.934 12.090 ( 1.058 -0.862 0.733) 1.549 12.277 ( -1.284 0.261 -0.892) 1.584 15.431 ( -0.432 -1.209 -0.513) 1.382 15.585 ( -2.417 -7.343 -0.518) 7.748 15.719 ( -1.049 0.787 1.598) 2.067 15.883 ( 0.407 1.293 -0.692) 1.522 15.926 ( -0.506 -0.071 -0.080) 0.517 16.031 ( 4.791 6.884 -0.909) 8.436 16.171 ( 1.323 0.509 -0.248) 1.439 16.289 ( -0.899 1.990 -1.311) 2.546 16.433 ( -0.289 -3.644 -4.412) 5.730 16.465 ( -0.450 -1.971 1.011) 2.260 16.499 ( 0.744 -1.506 6.847) 7.050 16.860 ( -5.741 0.552 -0.013) 5.768 ======================= Grid point 10 (7/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 10.694 -12.250 5.072) 17.034 1.076 ( 5.342 -11.676 -0.129) 12.840 1.171 ( -1.715 -1.079 0.007) 2.026 1.345 ( -0.084 -0.274 -1.516) 1.543 1.495 ( -3.653 -5.248 -2.330) 6.806 1.665 ( -5.601 -4.768 4.801) 8.784 1.702 ( 3.038 -2.266 -0.223) 3.796 1.962 ( 2.718 -1.800 -1.891) 3.769 1.981 ( -3.679 -0.671 1.636) 4.081 2.077 ( 0.896 -0.518 -1.672) 1.967 2.183 ( 3.834 -0.609 -3.680) 5.349 2.216 ( 7.199 -5.660 2.048) 9.383 2.329 ( 2.435 4.073 1.106) 4.873 2.430 ( 2.196 3.389 1.362) 4.262 2.472 ( -2.016 4.784 -1.446) 5.389 2.547 ( 1.849 5.538 -0.884) 5.905 2.703 ( 5.189 1.606 -1.041) 5.531 2.794 ( -1.905 3.423 4.242) 5.775 2.872 ( 4.765 0.975 -1.433) 5.071 2.998 ( 4.730 -1.762 0.003) 5.047 3.180 ( -0.203 1.118 1.082) 1.569 3.273 ( -2.078 1.076 -0.585) 2.412 3.303 ( -0.115 -0.410 -2.638) 2.672 3.326 ( 1.103 3.619 -0.533) 3.821 3.655 ( -7.101 3.420 1.170) 7.968 3.806 ( -4.685 -6.811 1.278) 8.365 3.895 ( -2.481 0.046 0.981) 2.669 4.008 ( -3.787 3.116 0.504) 4.930 4.107 ( 1.405 -2.134 -1.422) 2.924 4.167 ( 1.707 -0.620 1.484) 2.345 4.264 ( -0.893 0.915 -0.924) 1.578 4.341 ( 0.010 1.364 0.079) 1.367 4.348 ( 2.895 -0.187 -0.728) 2.991 4.474 ( -0.552 -2.275 0.071) 2.342 4.592 ( -1.819 -1.436 -0.843) 2.466 4.659 ( -0.705 2.260 -2.060) 3.139 4.836 ( -0.872 -1.157 2.540) 2.924 4.913 ( -1.448 -0.366 0.523) 1.583 5.063 ( -0.824 0.249 -5.925) 5.987 5.192 ( 1.867 1.177 2.862) 3.614 5.259 ( 4.550 2.032 0.045) 4.984 5.521 ( -1.713 -1.119 0.911) 2.240 5.555 ( 4.859 -1.028 -1.774) 5.274 5.700 ( -0.962 -1.897 3.478) 4.077 5.864 ( -2.905 -0.462 0.027) 2.941 5.959 ( 1.410 -2.841 -3.239) 4.533 6.022 ( -0.862 0.105 -2.943) 3.069 6.144 ( -4.696 -0.932 6.218) 7.847 6.192 ( -2.215 -0.191 0.944) 2.416 6.312 ( 0.122 -2.657 -1.716) 3.165 6.444 ( 2.089 -2.500 0.729) 3.339 6.607 ( -2.922 3.316 -1.368) 4.627 6.746 ( -3.214 2.566 0.664) 4.166 6.984 ( -3.302 -2.001 1.232) 4.053 7.182 ( 3.191 8.178 -0.544) 8.795 7.291 ( 0.307 6.656 -0.713) 6.701 7.619 ( -4.021 -2.926 0.553) 5.003 7.819 ( 3.811 0.352 -0.228) 3.834 7.900 ( 4.165 2.234 -1.458) 4.946 8.064 ( 2.558 1.429 1.503) 3.293 8.195 ( 0.298 -1.815 0.004) 1.839 8.278 ( 0.136 -1.856 0.367) 1.897 8.315 ( -1.327 -4.057 5.164) 6.700 8.484 ( -2.392 0.207 -0.580) 2.470 8.507 ( 0.048 0.139 -3.999) 4.002 8.636 ( 2.845 0.572 -2.468) 3.809 8.848 ( 2.178 -0.040 1.867) 2.869 8.945 ( -1.529 2.979 -0.444) 3.378 11.949 ( -0.600 -1.096 -0.848) 1.510 12.057 ( 0.641 1.666 0.769) 1.944 12.127 ( 1.164 -1.728 1.046) 2.331 12.248 ( -1.165 1.385 -1.027) 2.081 15.464 ( -0.930 -2.998 -0.830) 3.247 15.668 ( -0.856 0.691 1.515) 1.873 15.714 ( -1.280 -4.858 -0.530) 5.052 15.859 ( 0.976 1.581 -0.789) 2.018 15.915 ( -0.663 0.843 -0.130) 1.080 15.973 ( 3.519 3.624 0.179) 5.055 16.169 ( 0.940 0.713 -0.276) 1.212 16.238 ( -0.952 1.942 0.211) 2.173 16.469 ( -1.390 -0.735 4.000) 4.298 16.513 ( -0.526 -4.145 -2.832) 5.048 16.551 ( 3.171 -1.201 -0.631) 3.449 16.776 ( -4.973 2.466 0.402) 5.566 ======================= Grid point 11 (8/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -1.826 -1.550 0.581) 2.465 1.254 ( -0.550 -3.229 1.482) 3.595 1.305 ( 1.831 -1.215 1.541) 2.684 1.384 ( 6.170 -4.904 -0.435) 7.894 1.491 ( -0.049 4.747 -3.635) 5.979 1.756 ( -3.597 -9.020 5.293) 11.060 1.802 ( -1.569 -6.712 -4.275) 8.111 1.946 ( -2.783 -0.036 3.099) 4.166 2.020 ( 0.482 -5.350 0.757) 5.425 2.094 ( 0.051 0.395 -2.526) 2.557 2.202 ( 4.650 1.127 -1.686) 5.073 2.250 ( 1.534 5.815 0.879) 6.078 2.319 ( -0.380 -0.428 3.256) 3.306 2.345 ( 2.811 6.954 1.666) 7.683 2.401 ( 1.708 7.191 -1.512) 7.544 2.416 ( 0.454 1.882 -2.699) 3.321 2.625 ( -3.594 4.571 -0.881) 5.881 2.768 ( 1.611 -0.453 -0.083) 1.675 3.003 ( 2.984 -6.101 1.757) 7.016 3.032 ( -3.738 11.737 -2.378) 12.545 3.122 ( -1.009 2.212 -1.363) 2.788 3.205 ( -2.397 2.491 4.218) 5.454 3.307 ( 4.932 -3.292 0.765) 5.979 3.324 ( 4.028 0.431 -4.089) 5.756 3.576 ( -0.371 -1.700 1.052) 2.034 3.878 ( -3.423 -2.321 -0.370) 4.152 3.899 ( -2.086 -4.176 2.310) 5.209 3.938 ( -3.972 -1.320 -0.221) 4.192 4.163 ( 1.398 0.760 -1.302) 2.056 4.196 ( 3.152 -3.231 -0.293) 4.524 4.224 ( -1.389 1.888 -0.930) 2.522 4.334 ( 1.010 0.658 0.127) 1.213 4.367 ( 1.983 0.673 0.529) 2.160 4.496 ( -1.321 -0.908 -0.698) 1.748 4.596 ( -1.833 -0.100 1.396) 2.306 4.639 ( -0.920 -1.443 1.171) 2.074 4.819 ( -2.364 1.175 -1.370) 2.974 4.916 ( 0.479 -0.579 0.322) 0.818 5.064 ( 0.577 -0.998 -2.749) 2.981 5.176 ( -0.073 1.649 1.955) 2.558 5.277 ( 6.216 2.002 -0.047) 6.531 5.501 ( -3.140 0.949 1.093) 3.457 5.598 ( 2.043 0.005 -0.993) 2.271 5.703 ( -2.267 -0.290 1.126) 2.547 5.882 ( 1.659 -3.048 -1.515) 3.786 6.011 ( -0.017 -0.953 -0.051) 0.954 6.031 ( -0.328 -2.015 -4.833) 5.246 6.105 ( -2.859 2.537 6.700) 7.714 6.192 ( -0.115 -1.765 0.517) 1.843 6.341 ( 0.241 -1.349 -1.631) 2.130 6.523 ( 0.793 -2.346 -0.082) 2.478 6.542 ( -1.530 2.037 0.009) 2.548 6.743 ( -1.771 -5.099 -0.283) 5.405 6.975 ( 0.133 2.283 1.144) 2.558 7.067 ( 1.979 4.432 -0.292) 4.863 7.190 ( -2.171 2.583 -0.827) 3.474 7.640 ( -3.390 -3.119 0.175) 4.610 7.815 ( 2.737 1.886 -0.098) 3.326 7.900 ( 4.658 2.900 -0.443) 5.505 8.044 ( -0.697 1.909 0.690) 2.146 8.239 ( 0.325 -1.937 0.690) 2.082 8.274 ( -0.328 0.939 0.785) 1.266 8.411 ( -2.355 2.567 -2.343) 4.198 8.438 ( 0.673 -6.292 2.518) 6.811 8.537 ( 0.279 -1.536 -0.568) 1.661 8.622 ( 2.022 2.404 -0.988) 3.293 8.845 ( -2.253 3.459 -1.119) 4.277 8.900 ( 1.128 -1.323 1.083) 2.048 11.968 ( -0.133 -1.299 -0.318) 1.344 12.031 ( 0.114 1.501 0.284) 1.532 12.170 ( 0.848 -0.708 0.981) 1.477 12.208 ( -0.827 0.699 -0.956) 1.445 15.522 ( -0.835 -4.070 -0.869) 4.245 15.614 ( -0.292 3.301 0.850) 3.421 15.800 ( -0.961 -3.346 -0.260) 3.490 15.846 ( 1.001 0.727 -0.288) 1.270 15.885 ( -0.283 0.969 0.011) 1.010 15.946 ( 1.705 2.139 0.482) 2.778 16.161 ( 0.052 0.697 0.018) 0.699 16.217 ( 0.681 -0.206 0.260) 0.758 16.461 ( -1.893 0.066 0.715) 2.024 16.568 ( 1.919 0.072 -0.398) 1.961 16.601 ( 0.608 -1.886 -1.174) 2.303 16.707 ( -2.369 -0.420 0.727) 2.513 ======================= Grid point 12 (9/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -0.083 0.864 0.043) 0.869 1.184 ( -1.261 8.149 -0.127) 8.247 1.282 ( 0.709 11.168 -1.086) 11.243 1.320 ( -0.228 -1.649 0.195) 1.676 1.591 ( 2.955 -6.249 0.792) 6.957 1.813 ( 4.027 4.792 2.241) 6.648 1.856 ( -3.100 0.422 -2.083) 3.759 1.910 ( -3.832 3.957 0.362) 5.520 2.009 ( -0.383 1.371 -0.665) 1.571 2.116 ( 5.445 5.719 -2.653) 8.330 2.214 ( -4.252 4.334 2.398) 6.528 2.231 ( 2.516 0.841 0.827) 2.778 2.272 ( 0.836 -8.501 -1.600) 8.691 2.301 ( -1.619 7.457 0.882) 7.681 2.340 ( 1.937 -2.319 -0.944) 3.165 2.450 ( 2.540 -5.254 4.294) 7.245 2.528 ( -5.737 -0.664 -2.841) 6.436 2.671 ( -8.313 10.870 -0.574) 13.696 2.811 ( 1.624 -1.939 -1.364) 2.874 3.006 ( -0.297 3.598 0.375) 3.629 3.153 ( -1.751 0.773 3.168) 3.701 3.186 ( 0.289 -7.363 -0.287) 7.374 3.328 ( 1.481 1.450 -2.894) 3.560 3.375 ( 1.214 1.217 1.417) 2.228 3.715 ( 5.513 -7.390 -0.154) 9.221 3.899 ( -1.104 -1.475 -0.239) 1.858 3.931 ( -1.778 -3.324 -0.253) 3.778 3.986 ( -1.049 -1.669 0.852) 2.147 4.130 ( 0.068 3.370 0.098) 3.372 4.183 ( 1.106 -0.675 -1.890) 2.291 4.291 ( 2.162 -0.275 -0.437) 2.223 4.333 ( -0.943 -0.997 1.728) 2.206 4.346 ( 1.685 2.134 -0.674) 2.801 4.499 ( -0.571 0.110 0.651) 0.872 4.574 ( -2.222 -1.043 -1.179) 2.723 4.681 ( 2.931 0.272 4.288) 5.201 4.772 ( -4.580 -1.467 -2.587) 5.461 4.936 ( 0.858 -0.688 -0.049) 1.101 5.098 ( 1.778 -1.408 1.220) 2.576 5.145 ( -1.421 0.468 -1.318) 1.994 5.273 ( 3.721 3.755 -0.206) 5.290 5.441 ( -3.607 1.261 0.875) 3.920 5.616 ( 2.486 0.085 0.225) 2.498 5.676 ( -2.726 0.835 -1.294) 3.131 5.963 ( 3.861 0.997 -5.573) 6.853 6.000 ( 0.379 0.179 7.034) 7.047 6.032 ( -1.692 2.322 2.550) 3.841 6.079 ( -2.089 -5.483 -3.565) 6.866 6.259 ( 1.817 -3.678 -1.420) 4.341 6.345 ( 0.021 1.838 1.055) 2.119 6.469 ( -1.053 4.954 -0.192) 5.068 6.567 ( -0.146 -3.793 -0.329) 3.810 6.854 ( 1.538 -4.685 0.933) 5.019 6.927 ( -0.138 0.345 -0.483) 0.609 7.088 ( 2.445 -3.137 -0.956) 4.090 7.157 ( -3.655 -2.118 0.805) 4.300 7.679 ( -1.877 -3.578 0.134) 4.043 7.810 ( 2.320 1.073 -0.189) 2.563 7.875 ( 3.089 3.758 0.917) 4.950 7.980 ( -3.091 2.501 -0.223) 3.982 8.231 ( -0.095 2.479 -0.258) 2.494 8.277 ( 0.100 -0.758 0.668) 1.016 8.341 ( -1.202 2.315 -2.395) 3.541 8.523 ( 0.216 2.135 0.239) 2.159 8.565 ( -0.030 -3.754 0.722) 3.823 8.618 ( 3.299 0.088 2.585) 4.192 8.750 ( -3.803 2.112 -2.440) 4.988 8.945 ( 0.788 -1.784 0.441) 2.000 11.990 ( 0.874 -0.007 0.703) 1.122 12.009 ( -0.883 -0.234 -0.676) 1.137 12.139 ( -0.337 2.399 -0.275) 2.438 12.237 ( 0.306 -2.271 0.258) 2.306 15.549 ( 0.213 3.389 0.226) 3.403 15.599 ( -0.555 -4.547 -0.492) 4.607 15.807 ( -0.206 2.262 0.063) 2.272 15.814 ( -0.728 0.585 -0.298) 0.981 15.911 ( 1.427 -0.129 0.775) 1.629 15.928 ( -0.192 -0.631 -0.114) 0.669 16.150 ( -0.205 0.226 0.112) 0.325 16.256 ( 1.864 -2.345 0.471) 3.033 16.437 ( -2.070 0.527 -1.336) 2.520 16.543 ( 0.480 3.065 -0.802) 3.204 16.596 ( -0.169 1.350 1.646) 2.135 16.781 ( 0.965 -6.004 -0.269) 6.087 ======================= Grid point 13 (10/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.000 19.698 -0.000) 19.698 0.954 ( 0.000 19.333 -0.000) 19.333 1.246 ( -0.000 -2.244 0.000) 2.244 1.350 ( -0.000 -1.616 0.000) 1.616 1.495 ( 0.000 30.500 -0.000) 30.500 1.684 ( 0.000 2.901 -0.000) 2.901 1.725 ( 0.000 7.323 -0.000) 7.323 1.750 ( 0.000 5.971 -0.000) 5.971 2.010 ( -0.000 -0.340 0.000) 0.340 2.118 ( -0.000 -1.581 0.000) 1.581 2.123 ( 0.000 1.947 -0.000) 1.947 2.142 ( -0.000 -1.617 0.000) 1.617 2.268 ( -0.000 -0.683 0.000) 0.683 2.379 ( -0.000 -0.422 0.000) 0.422 2.469 ( -0.000 -7.523 0.000) 7.523 2.497 ( -0.000 -5.209 0.000) 5.209 2.535 ( 0.000 1.333 -0.000) 1.333 2.708 ( -0.000 -11.140 0.000) 11.140 2.864 ( -0.000 -3.239 0.000) 3.239 2.975 ( -0.000 -0.724 0.000) 0.724 3.155 ( -0.000 -1.431 0.000) 1.431 3.312 ( -0.000 -1.240 0.000) 1.240 3.329 ( -0.000 -2.372 0.000) 2.372 3.338 ( -0.000 -1.303 0.000) 1.303 3.879 ( -0.000 -6.380 0.000) 6.380 3.882 ( 0.000 2.298 -0.000) 2.298 3.932 ( 0.000 4.512 -0.000) 4.512 3.989 ( -0.000 -1.710 0.000) 1.710 4.071 ( 0.000 2.523 -0.000) 2.523 4.246 ( -0.000 -1.384 0.000) 1.384 4.249 ( 0.000 4.878 -0.000) 4.878 4.276 ( -0.000 -0.725 0.000) 0.725 4.398 ( -0.000 -0.277 0.000) 0.277 4.451 ( 0.000 2.597 -0.000) 2.597 4.607 ( -0.000 -1.607 0.000) 1.607 4.686 ( -0.000 -1.626 0.000) 1.626 4.792 ( -0.000 -1.214 0.000) 1.214 4.964 ( -0.000 -1.885 0.000) 1.885 5.127 ( -0.000 -0.647 0.000) 0.647 5.158 ( -0.000 -2.086 0.000) 2.086 5.210 ( 0.000 3.373 -0.000) 3.373 5.420 ( -0.000 -0.751 0.000) 0.751 5.596 ( 0.000 4.100 -0.000) 4.100 5.649 ( 0.000 0.050 -0.000) 0.050 5.895 ( 0.000 4.521 -0.000) 4.521 5.999 ( 0.000 0.067 -0.000) 0.067 6.030 ( -0.000 -0.308 0.000) 0.308 6.189 ( -0.000 -5.724 0.000) 5.724 6.274 ( 0.000 4.506 -0.000) 4.506 6.331 ( 0.000 1.591 -0.000) 1.591 6.360 ( 0.000 1.029 -0.000) 1.029 6.664 ( -0.000 -5.633 0.000) 5.633 6.927 ( -0.000 -2.626 0.000) 2.626 6.972 ( -0.000 -4.600 0.000) 4.600 7.177 ( -0.000 -3.027 0.000) 3.027 7.210 ( -0.000 -5.732 0.000) 5.732 7.724 ( -0.000 -0.272 0.000) 0.272 7.812 ( 0.000 0.791 0.000) 0.791 7.812 ( 0.000 1.911 0.000) 1.911 7.935 ( -0.000 -0.163 0.000) 0.163 8.169 ( 0.000 3.957 -0.000) 3.957 8.278 ( 0.000 0.824 -0.000) 0.824 8.300 ( 0.000 1.229 -0.000) 1.229 8.454 ( 0.000 4.276 -0.000) 4.276 8.563 ( 0.000 2.798 -0.000) 2.798 8.670 ( -0.000 -1.573 0.000) 1.573 8.736 ( -0.000 -2.942 0.000) 2.942 8.979 ( -0.000 -1.352 0.000) 1.352 11.974 ( 0.000 1.196 -0.000) 1.196 12.031 ( -0.000 -1.616 0.000) 1.616 12.097 ( 0.000 1.775 -0.000) 1.775 12.279 ( -0.000 -1.813 0.000) 1.813 15.489 ( 0.000 2.973 -0.000) 2.973 15.678 ( -0.000 -3.691 0.000) 3.691 15.751 ( 0.000 2.872 -0.000) 2.872 15.816 ( -0.000 -1.096 0.000) 1.096 15.900 ( 0.000 0.606 -0.000) 0.606 15.954 ( -0.000 -0.723 0.000) 0.723 16.149 ( -0.000 -0.179 0.000) 0.179 16.326 ( -0.000 -3.339 0.000) 3.339 16.402 ( 0.000 1.588 -0.000) 1.588 16.487 ( 0.000 2.566 -0.000) 2.566 16.562 ( 0.000 2.376 -0.000) 2.376 16.906 ( -0.000 -6.114 0.000) 6.114 ======================= Grid point 16 (11/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 16.168 0.000 -5.165) 16.973 0.847 ( 16.700 0.000 0.299) 16.702 1.214 ( -1.487 -0.000 -1.199) 1.910 1.296 ( -1.853 -0.000 -0.566) 1.938 1.390 ( -5.889 -0.000 0.046) 5.889 1.512 ( 28.394 0.000 7.913) 29.476 1.787 ( 9.930 0.000 0.883) 9.969 1.799 ( 4.762 0.000 0.759) 4.822 1.829 ( -6.646 -0.000 -1.822) 6.892 2.086 ( -5.206 -0.000 -1.200) 5.342 2.167 ( 6.444 0.000 -5.484) 8.462 2.182 ( -1.328 -0.000 1.993) 2.395 2.454 ( 0.550 0.000 2.497) 2.557 2.484 ( 1.856 0.000 1.075) 2.145 2.509 ( -1.646 -0.000 -3.554) 3.917 2.643 ( -0.727 -0.000 0.618) 0.954 2.664 ( 0.810 0.000 2.877) 2.988 2.930 ( -0.469 -0.000 -0.499) 0.685 2.976 ( -1.032 -0.000 -0.724) 1.261 3.066 ( 0.983 0.000 2.854) 3.018 3.219 ( 0.568 0.000 -2.787) 2.845 3.245 ( -1.576 -0.000 -0.082) 1.578 3.287 ( -1.908 -0.000 -2.372) 3.045 3.412 ( -2.380 -0.000 0.585) 2.451 3.579 ( -8.908 -0.000 0.976) 8.961 3.818 ( -0.779 -0.000 2.847) 2.952 3.837 ( 2.510 0.000 2.787) 3.750 4.055 ( -0.786 -0.000 -2.183) 2.320 4.102 ( -0.929 -0.000 -0.120) 0.937 4.128 ( 1.217 0.000 0.463) 1.302 4.246 ( 1.279 0.000 1.172) 1.735 4.368 ( 3.350 0.000 -0.616) 3.406 4.418 ( 0.169 0.000 -0.657) 0.678 4.432 ( 0.734 0.000 -2.297) 2.412 4.604 ( -6.177 -0.000 0.966) 6.252 4.625 ( -0.871 -0.000 -0.008) 0.871 4.801 ( -2.185 -0.000 -2.215) 3.111 4.877 ( -0.652 -0.000 4.053) 4.105 5.095 ( -0.879 -0.000 -6.283) 6.344 5.236 ( 1.620 0.000 -2.137) 2.682 5.294 ( 6.258 0.000 -1.676) 6.479 5.486 ( 1.581 0.000 4.046) 4.344 5.569 ( 0.921 0.000 0.263) 0.958 5.580 ( 3.253 0.000 -1.661) 3.652 5.837 ( -1.653 -0.000 4.045) 4.370 5.924 ( -2.273 -0.000 -0.696) 2.378 6.047 ( -0.532 -0.000 3.368) 3.409 6.086 ( -3.382 -0.000 -2.395) 4.144 6.161 ( -6.524 -0.000 -4.265) 7.794 6.206 ( 0.392 0.000 0.351) 0.527 6.452 ( 1.041 0.000 3.344) 3.503 6.795 ( -5.809 -0.000 0.238) 5.814 6.823 ( -3.013 -0.000 -0.510) 3.055 6.893 ( -5.132 -0.000 1.695) 5.405 7.363 ( -2.388 -0.000 0.341) 2.412 7.480 ( 2.825 0.000 4.428) 5.252 7.647 ( 8.260 0.000 0.069) 8.260 7.650 ( 4.206 0.000 -2.055) 4.682 8.010 ( -0.545 -0.000 3.877) 3.915 8.040 ( -6.163 -0.000 0.931) 6.233 8.114 ( 4.987 0.000 -0.100) 4.988 8.238 ( 2.004 0.000 -7.390) 7.657 8.304 ( -1.378 -0.000 2.528) 2.879 8.480 ( -0.923 -0.000 1.758) 1.985 8.527 ( -3.123 -0.000 -4.472) 5.454 8.630 ( 4.613 0.000 -0.815) 4.684 8.859 ( 0.924 0.000 0.769) 1.202 9.020 ( 0.396 0.000 0.110) 0.411 11.925 ( -0.690 -0.000 -1.105) 1.303 12.091 ( 1.038 0.000 0.965) 1.417 12.103 ( 0.977 0.000 0.910) 1.335 12.264 ( -1.186 -0.000 -0.948) 1.518 15.438 ( 0.557 0.000 0.502) 0.750 15.471 ( -1.085 -0.000 -1.102) 1.547 15.719 ( -1.078 -0.000 1.148) 1.575 15.898 ( 0.272 0.000 -0.462) 0.536 15.920 ( -0.380 -0.000 0.094) 0.392 16.149 ( 1.636 0.000 -0.111) 1.639 16.199 ( 1.876 0.000 -0.276) 1.896 16.299 ( 0.276 0.000 -8.334) 8.338 16.394 ( 1.739 0.000 2.210) 2.812 16.445 ( 0.247 0.000 -1.292) 1.316 16.478 ( -1.345 -0.000 9.023) 9.123 16.815 ( -4.565 -0.000 -0.301) 4.575 ======================= Grid point 17 (12/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 11.170 -12.991 -0.547) 17.142 1.021 ( 12.499 -5.186 -1.346) 13.599 1.168 ( -0.137 2.637 0.461) 2.680 1.304 ( -3.053 -3.405 -0.557) 4.607 1.348 ( -6.129 -2.684 2.052) 6.998 1.629 ( -0.007 4.017 1.659) 4.347 1.763 ( 3.406 3.830 1.444) 5.325 1.921 ( 3.437 -4.436 0.213) 5.616 1.955 ( 4.995 -2.635 -0.271) 5.654 2.082 ( 2.547 -0.327 -1.179) 2.826 2.164 ( 3.152 -3.415 0.660) 4.694 2.222 ( 6.027 -0.973 -5.076) 7.940 2.418 ( -0.496 3.560 2.722) 4.509 2.492 ( -1.106 1.179 -0.626) 1.734 2.507 ( 0.908 0.638 -1.215) 1.646 2.578 ( -1.932 0.193 2.284) 2.998 2.745 ( 3.557 -2.957 1.041) 4.741 2.888 ( -0.443 5.292 0.730) 5.360 2.921 ( -0.933 2.476 -0.569) 2.707 3.058 ( 3.759 1.934 2.313) 4.819 3.197 ( -0.317 1.290 0.376) 1.381 3.258 ( 0.478 -2.731 -2.421) 3.681 3.291 ( -0.727 -0.866 -3.077) 3.279 3.361 ( -2.830 2.206 1.660) 3.953 3.537 ( -10.011 -3.687 -0.012) 10.668 3.762 ( 1.978 2.894 2.528) 4.322 3.897 ( 0.018 -0.094 2.777) 2.778 4.042 ( -3.741 3.160 -4.683) 6.776 4.072 ( -1.048 -0.785 1.549) 2.028 4.141 ( -0.643 -2.699 -0.311) 2.793 4.283 ( 2.816 -0.671 1.201) 3.134 4.368 ( 0.600 2.332 0.724) 2.515 4.392 ( 2.558 1.452 -2.013) 3.564 4.451 ( 0.151 -0.042 -0.488) 0.512 4.540 ( -2.226 -1.051 -0.761) 2.576 4.673 ( -1.552 -0.939 -1.694) 2.482 4.781 ( -2.174 -1.908 2.021) 3.529 4.882 ( -1.383 -0.868 0.818) 1.827 5.066 ( -0.405 1.000 -5.396) 5.503 5.239 ( 1.872 0.871 0.542) 2.135 5.342 ( 6.087 1.397 -0.144) 6.247 5.494 ( 0.543 0.233 3.257) 3.310 5.587 ( 3.531 -0.732 -2.292) 4.273 5.648 ( -0.023 -2.876 2.243) 3.647 5.819 ( -4.031 -0.860 -1.267) 4.312 5.922 ( -0.037 -1.311 1.369) 1.896 6.020 ( -1.501 1.241 -2.682) 3.315 6.075 ( -4.195 -1.908 3.733) 5.931 6.125 ( -4.284 -2.798 -3.178) 6.023 6.255 ( 1.543 -3.340 0.386) 3.699 6.452 ( 0.754 0.941 1.879) 2.233 6.658 ( -2.861 5.351 -0.918) 6.137 6.799 ( -2.857 4.226 1.279) 5.259 6.889 ( -2.763 -4.511 0.463) 5.310 7.322 ( 0.039 3.368 -0.878) 3.481 7.431 ( 0.470 6.754 1.450) 6.923 7.594 ( 1.798 3.095 0.497) 3.614 7.825 ( 6.521 -4.283 -1.269) 7.905 7.964 ( -0.561 1.600 -0.298) 1.722 8.063 ( -1.639 -4.006 4.849) 6.500 8.182 ( 0.771 -3.361 -0.022) 3.449 8.211 ( 1.176 2.754 -3.826) 4.859 8.296 ( -0.866 -0.048 2.551) 2.694 8.476 ( -2.045 0.300 3.674) 4.215 8.499 ( -0.091 -0.383 -6.430) 6.442 8.666 ( 3.138 0.071 -1.298) 3.396 8.865 ( 0.792 0.138 0.879) 1.191 8.995 ( -0.163 2.751 0.000) 2.756 11.925 ( -0.472 -0.699 -0.752) 1.130 12.095 ( 0.659 1.424 0.813) 1.767 12.113 ( 0.964 -0.977 0.738) 1.559 12.251 ( -1.090 0.271 -0.894) 1.435 15.422 ( -0.383 -0.384 -0.487) 0.729 15.558 ( -0.621 -6.915 0.029) 6.942 15.702 ( -1.017 0.904 0.625) 1.497 15.890 ( 0.500 0.941 -0.546) 1.197 15.917 ( -0.496 0.156 0.098) 0.529 16.100 ( 2.738 5.356 -0.371) 6.027 16.198 ( 1.475 1.083 -0.415) 1.876 16.275 ( -0.479 2.297 -0.676) 2.442 16.422 ( 0.065 -3.065 -1.638) 3.475 16.454 ( -0.975 -0.557 2.397) 2.647 16.536 ( 1.601 -3.512 1.774) 4.248 16.762 ( -4.441 1.208 -0.273) 4.610 ======================= Grid point 18 (13/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -1.483 -1.704 1.128) 2.525 1.197 ( 2.879 -3.146 1.491) 4.517 1.278 ( 8.547 -7.744 -1.960) 11.699 1.351 ( 1.262 -3.931 -3.857) 5.650 1.456 ( 0.476 -12.204 8.252) 14.740 1.561 ( -4.689 -0.767 -1.964) 5.142 1.700 ( -3.798 2.682 -0.920) 4.740 1.940 ( 0.625 0.433 1.933) 2.078 1.975 ( -1.049 0.631 -1.536) 1.965 2.075 ( -0.053 -1.298 -1.249) 1.802 2.264 ( 5.270 -0.062 -2.699) 5.921 2.343 ( -0.792 2.425 1.731) 3.083 2.359 ( 4.635 -1.556 2.128) 5.332 2.414 ( -2.065 4.673 -0.744) 5.163 2.464 ( 0.129 3.182 -1.033) 3.348 2.567 ( 0.380 4.223 0.223) 4.246 2.742 ( 0.279 7.956 -0.981) 8.021 2.782 ( -0.168 1.707 1.444) 2.242 2.920 ( 1.064 -3.444 -0.194) 3.610 3.142 ( 4.118 -0.731 2.583) 4.916 3.190 ( 3.198 2.310 -0.553) 3.983 3.244 ( 0.934 0.784 0.074) 1.222 3.294 ( -0.318 0.663 -1.876) 2.015 3.349 ( 0.858 -1.462 -1.918) 2.560 3.506 ( -8.120 -2.865 1.414) 8.726 3.781 ( 1.948 -2.555 2.173) 3.878 3.861 ( -1.794 1.452 -0.241) 2.321 3.905 ( -5.417 3.417 -0.466) 6.422 4.125 ( 0.614 -4.053 -0.952) 4.208 4.189 ( 0.114 -1.817 -0.246) 1.837 4.259 ( 0.479 3.798 0.339) 3.844 4.365 ( 1.962 0.645 1.431) 2.513 4.399 ( 1.040 1.047 -0.172) 1.486 4.445 ( -0.786 -2.507 -2.584) 3.685 4.567 ( -1.009 -2.218 1.598) 2.914 4.639 ( -0.820 2.451 -0.378) 2.612 4.802 ( -2.142 -1.153 -0.294) 2.450 4.895 ( -0.316 -1.300 0.400) 1.396 5.054 ( 0.594 -0.439 -2.775) 2.872 5.226 ( 0.817 2.344 1.503) 2.902 5.372 ( 6.386 1.527 -0.093) 6.567 5.486 ( -2.688 0.348 1.357) 3.031 5.611 ( -0.020 0.074 -1.104) 1.107 5.685 ( 0.835 -0.488 2.432) 2.617 5.818 ( -1.804 -3.162 -3.113) 4.790 5.952 ( -1.790 -1.970 1.827) 3.228 6.021 ( 2.619 -1.514 -4.997) 5.841 6.090 ( -3.008 -1.958 5.051) 6.197 6.147 ( -1.910 -2.416 -0.190) 3.086 6.317 ( 0.488 -1.264 -0.425) 1.420 6.472 ( 0.751 -3.096 0.296) 3.199 6.563 ( -1.196 2.500 -0.627) 2.841 6.709 ( -1.086 2.600 0.393) 2.845 6.940 ( -1.399 -2.867 0.507) 3.230 7.231 ( 2.070 6.868 -0.190) 7.175 7.277 ( -1.231 8.378 -0.394) 8.477 7.575 ( -1.080 -0.866 0.316) 1.420 7.866 ( 1.166 1.704 0.076) 2.066 7.987 ( 5.051 0.731 -2.075) 5.509 8.079 ( -1.658 1.624 2.377) 3.322 8.195 ( -0.092 -1.774 0.092) 1.779 8.277 ( -0.369 -3.172 0.234) 3.202 8.306 ( -0.488 -4.244 1.555) 4.546 8.435 ( -1.143 1.880 -0.634) 2.289 8.517 ( 0.499 -1.150 -1.112) 1.675 8.673 ( 1.379 1.321 -0.955) 2.135 8.881 ( 0.952 -0.855 0.530) 1.385 8.917 ( -1.089 4.548 -0.102) 4.678 11.940 ( -0.197 -1.245 -0.319) 1.301 12.067 ( 0.225 1.928 0.293) 1.963 12.149 ( 0.699 -1.855 0.686) 2.098 12.226 ( -0.706 1.397 -0.682) 1.707 15.448 ( -0.481 -2.761 -0.419) 2.834 15.662 ( -0.138 1.476 1.022) 1.801 15.693 ( -0.686 -6.201 -0.629) 6.271 15.876 ( 0.945 1.074 -0.527) 1.525 15.899 ( -0.890 1.148 0.201) 1.466 16.028 ( 1.753 4.387 0.169) 4.727 16.183 ( 0.461 1.372 -0.123) 1.453 16.230 ( -0.111 1.429 0.196) 1.447 16.452 ( -0.895 0.061 1.278) 1.561 16.503 ( -0.020 -5.137 -1.161) 5.266 16.608 ( 2.954 -1.613 -0.196) 3.371 16.691 ( -3.876 1.921 0.326) 4.339 ======================= Grid point 19 (14/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 -2.700 0.000) 2.700 1.251 ( -0.000 -1.340 0.000) 1.340 1.318 ( 0.000 1.730 -0.000) 1.730 1.481 ( -0.000 -5.544 0.000) 5.544 1.489 ( 0.000 8.919 -0.000) 8.919 1.730 ( -0.000 -9.405 0.000) 9.405 1.742 ( -0.000 -12.530 0.000) 12.530 1.932 ( 0.000 0.695 -0.000) 0.695 2.034 ( -0.000 -8.096 0.000) 8.096 2.085 ( 0.000 2.347 -0.000) 2.347 2.270 ( 0.000 3.673 -0.000) 3.673 2.275 ( 0.000 3.767 -0.000) 3.767 2.282 ( 0.000 3.091 -0.000) 3.091 2.402 ( 0.000 1.706 -0.000) 1.706 2.408 ( 0.000 3.565 -0.000) 3.565 2.424 ( 0.000 6.179 -0.000) 6.179 2.572 ( 0.000 8.187 -0.000) 8.187 2.787 ( -0.000 -1.290 0.000) 1.290 2.972 ( 0.000 18.592 -0.000) 18.592 3.042 ( -0.000 -7.578 0.000) 7.578 3.096 ( 0.000 5.650 -0.000) 5.650 3.180 ( 0.000 2.908 -0.000) 2.908 3.364 ( 0.000 0.901 -0.000) 0.901 3.379 ( -0.000 -2.336 0.000) 2.336 3.588 ( -0.000 -8.354 0.000) 8.354 3.851 ( -0.000 -2.787 0.000) 2.787 3.863 ( -0.000 -1.305 0.000) 1.305 3.888 ( -0.000 -6.067 0.000) 6.067 4.183 ( 0.000 2.447 -0.000) 2.447 4.205 ( 0.000 1.714 -0.000) 1.714 4.228 ( -0.000 -5.899 0.000) 5.899 4.344 ( 0.000 2.057 -0.000) 2.057 4.397 ( 0.000 0.635 -0.000) 0.635 4.480 ( -0.000 -1.209 0.000) 1.209 4.580 ( 0.000 2.386 -0.000) 2.386 4.629 ( -0.000 -4.759 0.000) 4.759 4.778 ( 0.000 2.338 -0.000) 2.338 4.921 ( -0.000 -1.324 0.000) 1.324 5.077 ( -0.000 -1.525 0.000) 1.525 5.176 ( 0.000 2.900 -0.000) 2.900 5.369 ( 0.000 3.189 -0.000) 3.189 5.447 ( 0.000 1.354 -0.000) 1.354 5.615 ( -0.000 -0.734 0.000) 0.734 5.679 ( 0.000 0.871 -0.000) 0.871 5.911 ( -0.000 -6.497 0.000) 6.497 5.980 ( -0.000 -1.992 0.000) 1.992 6.043 ( 0.000 0.941 -0.000) 0.941 6.078 ( 0.000 2.297 -0.000) 2.297 6.193 ( -0.000 -3.493 0.000) 3.493 6.341 ( -0.000 -1.744 0.000) 1.744 6.525 ( 0.000 1.707 -0.000) 1.707 6.530 ( -0.000 -1.155 0.000) 1.155 6.727 ( -0.000 -5.601 0.000) 5.601 6.973 ( -0.000 -0.418 0.000) 0.418 7.103 ( 0.000 5.787 -0.000) 5.787 7.152 ( 0.000 3.475 -0.000) 3.475 7.607 ( -0.000 -2.918 0.000) 2.918 7.840 ( 0.000 1.462 -0.000) 1.462 7.972 ( 0.000 3.290 -0.000) 3.290 8.016 ( 0.000 3.190 -0.000) 3.190 8.247 ( -0.000 -2.557 0.000) 2.557 8.268 ( 0.000 1.464 -0.000) 1.464 8.377 ( 0.000 1.889 -0.000) 1.889 8.455 ( -0.000 -6.846 0.000) 6.846 8.539 ( -0.000 -0.744 0.000) 0.744 8.647 ( 0.000 1.641 -0.000) 1.641 8.811 ( 0.000 5.328 -0.000) 5.328 8.915 ( -0.000 -1.798 0.000) 1.798 11.966 ( -0.000 -1.617 0.000) 1.617 12.032 ( 0.000 1.823 -0.000) 1.823 12.185 ( 0.000 2.383 -0.000) 2.383 12.194 ( -0.000 -2.362 0.000) 2.362 15.512 ( -0.000 -4.140 0.000) 4.140 15.612 ( 0.000 3.090 -0.000) 3.090 15.790 ( -0.000 -3.068 0.000) 3.068 15.857 ( 0.000 2.347 -0.000) 2.347 15.880 ( -0.000 -1.274 0.000) 1.274 15.966 ( 0.000 3.047 -0.000) 3.047 16.161 ( 0.000 0.984 -0.000) 0.984 16.228 ( -0.000 -1.081 0.000) 1.081 16.440 ( 0.000 0.657 -0.000) 0.657 16.587 ( -0.000 -2.715 0.000) 2.715 16.609 ( 0.000 3.346 -0.000) 3.346 16.681 ( -0.000 -4.024 0.000) 4.024 ======================= Grid point 24 (15/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 11.571 0.000 -3.253) 12.019 1.033 ( 3.230 0.000 0.082) 3.231 1.190 ( -8.380 -0.000 2.220) 8.669 1.228 ( 2.794 0.000 -1.203) 3.042 1.290 ( -2.108 -0.000 -0.369) 2.140 1.715 ( -3.474 -0.000 0.844) 3.575 1.816 ( 0.828 0.000 3.059) 3.169 1.954 ( 5.927 0.000 -1.454) 6.103 1.967 ( 6.091 0.000 1.404) 6.251 2.129 ( 12.657 0.000 0.800) 12.683 2.145 ( -1.692 -0.000 -0.574) 1.786 2.246 ( 3.078 0.000 -5.624) 6.411 2.454 ( -1.018 -0.000 2.988) 3.156 2.464 ( -2.693 -0.000 -1.940) 3.319 2.505 ( -0.332 -0.000 1.604) 1.638 2.599 ( -2.887 -0.000 0.187) 2.893 2.681 ( 0.109 0.000 2.118) 2.121 2.934 ( 0.689 0.000 0.504) 0.854 2.954 ( -0.998 -0.000 -0.995) 1.409 3.104 ( 1.959 0.000 4.544) 4.948 3.177 ( -3.101 -0.000 -6.343) 7.060 3.219 ( -0.882 -0.000 -0.064) 0.884 3.263 ( 0.020 0.000 1.223) 1.223 3.383 ( -0.827 -0.000 0.230) 0.859 3.437 ( -5.236 -0.000 -0.407) 5.252 3.831 ( 0.740 0.000 1.504) 1.676 3.922 ( 5.605 0.000 4.244) 7.030 4.027 ( -1.081 -0.000 -1.298) 1.690 4.059 ( -6.408 -0.000 -3.969) 7.537 4.084 ( -0.609 -0.000 -0.262) 0.663 4.297 ( 2.588 0.000 1.419) 2.951 4.409 ( 1.193 0.000 -1.019) 1.569 4.418 ( 0.136 0.000 -0.164) 0.213 4.461 ( 0.320 0.000 -0.006) 0.320 4.522 ( -1.151 -0.000 -0.581) 1.289 4.634 ( 0.774 0.000 0.989) 1.256 4.748 ( -2.274 -0.000 -0.768) 2.400 4.866 ( -0.759 -0.000 0.521) 0.920 5.066 ( -0.462 -0.000 -2.880) 2.917 5.250 ( 0.412 0.000 -1.032) 1.111 5.421 ( 6.374 0.000 1.481) 6.543 5.542 ( 2.097 0.000 2.909) 3.586 5.558 ( -2.379 -0.000 -0.515) 2.434 5.644 ( 4.636 0.000 -0.118) 4.638 5.758 ( -6.011 -0.000 -2.160) 6.388 5.914 ( 0.017 0.000 2.624) 2.624 6.014 ( -4.670 -0.000 -0.028) 4.671 6.029 ( -1.682 -0.000 -1.568) 2.300 6.053 ( -0.280 -0.000 -1.358) 1.386 6.234 ( 1.053 0.000 0.277) 1.089 6.471 ( 0.312 0.000 1.417) 1.451 6.726 ( -1.795 -0.000 0.143) 1.801 6.786 ( -0.746 -0.000 -0.103) 0.753 6.826 ( -2.286 -0.000 0.419) 2.324 7.332 ( -0.916 -0.000 0.013) 0.916 7.512 ( 0.410 0.000 1.221) 1.288 7.729 ( 3.632 0.000 -1.184) 3.820 7.783 ( 5.328 0.000 -0.145) 5.330 7.943 ( -3.906 -0.000 1.091) 4.056 7.987 ( -2.237 -0.000 1.852) 2.904 8.182 ( 1.922 0.000 0.114) 1.926 8.254 ( 1.246 0.000 -3.667) 3.873 8.288 ( -0.987 -0.000 2.156) 2.371 8.466 ( -1.255 -0.000 6.478) 6.598 8.480 ( -0.331 -0.000 -7.700) 7.707 8.690 ( 1.779 0.000 -0.390) 1.821 8.871 ( 0.251 0.000 0.297) 0.389 9.025 ( 0.120 0.000 0.060) 0.134 11.914 ( -0.244 -0.000 -0.417) 0.483 12.110 ( 0.575 0.000 0.547) 0.794 12.117 ( 0.369 0.000 0.347) 0.506 12.243 ( -0.641 -0.000 -0.540) 0.838 15.449 ( 0.326 0.000 0.250) 0.411 15.453 ( -0.465 -0.000 -0.459) 0.654 15.704 ( -0.581 -0.000 0.348) 0.677 15.901 ( 0.143 0.000 -0.197) 0.243 15.915 ( -0.131 -0.000 0.006) 0.131 16.173 ( 0.773 0.000 0.092) 0.779 16.224 ( 0.776 0.000 -0.303) 0.833 16.285 ( -0.002 -0.000 -2.486) 2.486 16.428 ( 1.054 0.000 1.205) 1.601 16.444 ( -0.027 -0.000 -0.224) 0.225 16.479 ( -0.317 -0.000 2.440) 2.461 16.744 ( -2.354 -0.000 -0.319) 2.375 ======================= Grid point 25 (16/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 -0.422 0.000) 0.422 1.055 ( -0.000 -13.690 0.000) 13.690 1.207 ( 0.000 0.258 -0.000) 0.258 1.227 ( -0.000 -5.782 0.000) 5.782 1.335 ( -0.000 -4.673 0.000) 4.673 1.605 ( 0.000 7.219 -0.000) 7.219 1.775 ( 0.000 4.305 -0.000) 4.305 1.961 ( 0.000 1.102 -0.000) 1.102 2.002 ( 0.000 0.553 -0.000) 0.553 2.084 ( 0.000 3.307 -0.000) 3.307 2.266 ( -0.000 -2.368 0.000) 2.368 2.300 ( -0.000 -5.679 0.000) 5.679 2.403 ( 0.000 4.138 -0.000) 4.138 2.460 ( -0.000 -0.431 0.000) 0.431 2.516 ( 0.000 3.038 -0.000) 3.038 2.550 ( -0.000 -3.133 0.000) 3.133 2.781 ( -0.000 -4.221 0.000) 4.221 2.884 ( 0.000 5.896 -0.000) 5.896 2.913 ( 0.000 1.848 -0.000) 1.848 3.146 ( -0.000 -3.375 0.000) 3.375 3.156 ( -0.000 -0.620 0.000) 0.620 3.267 ( -0.000 -3.774 0.000) 3.774 3.282 ( -0.000 -0.657 0.000) 0.657 3.337 ( 0.000 2.987 -0.000) 2.987 3.410 ( -0.000 -0.789 0.000) 0.789 3.814 ( 0.000 1.830 -0.000) 1.830 3.904 ( 0.000 4.552 -0.000) 4.552 3.964 ( 0.000 3.757 -0.000) 3.757 4.065 ( -0.000 -2.593 0.000) 2.593 4.128 ( -0.000 -3.709 0.000) 3.709 4.346 ( -0.000 -3.384 0.000) 3.384 4.355 ( 0.000 5.167 -0.000) 5.167 4.420 ( -0.000 -0.305 0.000) 0.305 4.431 ( 0.000 2.530 -0.000) 2.530 4.535 ( -0.000 -1.029 0.000) 1.029 4.660 ( -0.000 -0.681 0.000) 0.681 4.749 ( -0.000 -1.911 0.000) 1.911 4.872 ( -0.000 -0.928 0.000) 0.928 5.055 ( 0.000 0.511 -0.000) 0.511 5.255 ( 0.000 0.113 -0.000) 0.113 5.439 ( 0.000 1.599 -0.000) 1.599 5.491 ( 0.000 2.090 -0.000) 2.090 5.595 ( -0.000 -1.400 0.000) 1.400 5.698 ( -0.000 -0.600 0.000) 0.600 5.734 ( -0.000 -2.797 0.000) 2.797 5.923 ( -0.000 -0.710 0.000) 0.710 6.010 ( -0.000 -0.233 0.000) 0.233 6.019 ( -0.000 -2.792 0.000) 2.792 6.088 ( -0.000 -2.656 0.000) 2.656 6.272 ( -0.000 -3.076 0.000) 3.076 6.462 ( 0.000 0.899 -0.000) 0.899 6.630 ( 0.000 5.170 -0.000) 5.170 6.774 ( 0.000 3.810 -0.000) 3.810 6.863 ( -0.000 -4.642 0.000) 4.642 7.317 ( 0.000 1.839 -0.000) 1.839 7.438 ( 0.000 7.378 -0.000) 7.378 7.616 ( 0.000 5.808 -0.000) 5.808 7.904 ( 0.000 1.526 -0.000) 1.526 7.959 ( -0.000 -7.405 0.000) 7.405 8.029 ( -0.000 -4.039 0.000) 4.039 8.193 ( -0.000 -1.376 0.000) 1.376 8.218 ( 0.000 3.154 -0.000) 3.154 8.292 ( -0.000 -0.449 0.000) 0.449 8.457 ( 0.000 0.999 -0.000) 0.999 8.492 ( -0.000 -1.639 0.000) 1.639 8.694 ( 0.000 0.394 -0.000) 0.394 8.874 ( -0.000 -0.204 0.000) 0.204 8.993 ( 0.000 3.268 -0.000) 3.268 11.920 ( -0.000 -0.719 0.000) 0.719 12.103 ( 0.000 1.554 -0.000) 1.554 12.124 ( -0.000 -1.088 0.000) 1.088 12.238 ( 0.000 0.296 -0.000) 0.296 15.417 ( -0.000 -0.071 0.000) 0.071 15.554 ( -0.000 -6.837 0.000) 6.837 15.692 ( 0.000 0.995 -0.000) 0.995 15.896 ( 0.000 0.632 -0.000) 0.632 15.911 ( 0.000 0.457 -0.000) 0.457 16.126 ( 0.000 4.496 -0.000) 4.496 16.214 ( 0.000 1.307 -0.000) 1.307 16.268 ( 0.000 2.186 -0.000) 2.186 16.422 ( -0.000 -2.302 0.000) 2.302 16.447 ( -0.000 -0.242 0.000) 0.242 16.557 ( -0.000 -4.604 0.000) 4.604 16.715 ( 0.000 1.789 -0.000) 1.789 ======================= Grid point 51 (17/72) ======================= q-point: ( 0.00 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 3.216 0.000 20.818) 21.065 0.503 ( -2.874 -0.000 25.353) 25.515 0.878 ( -4.734 -0.000 38.978) 39.264 1.264 ( 1.385 0.000 -0.237) 1.405 1.457 ( -2.697 -0.000 -9.002) 9.398 1.511 ( -2.279 -0.000 7.030) 7.390 1.527 ( 1.305 0.000 -4.690) 4.868 1.830 ( -0.986 -0.000 0.819) 1.282 1.911 ( -0.212 -0.000 -4.591) 4.596 2.104 ( -4.836 -0.000 3.231) 5.816 2.254 ( 7.539 0.000 3.713) 8.404 2.273 ( 2.385 0.000 -2.683) 3.589 2.330 ( -7.203 -0.000 -0.211) 7.206 2.391 ( -1.756 -0.000 1.810) 2.522 2.473 ( 0.098 0.000 4.113) 4.114 2.601 ( 0.462 0.000 1.130) 1.221 2.666 ( -0.060 -0.000 2.974) 2.975 2.954 ( 0.178 0.000 -2.324) 2.330 2.973 ( 0.794 0.000 -2.227) 2.365 2.977 ( -0.665 -0.000 -1.705) 1.830 3.161 ( 0.531 0.000 -3.542) 3.582 3.265 ( 0.925 0.000 -4.755) 4.844 3.315 ( -1.675 -0.000 1.195) 2.057 3.328 ( 1.670 0.000 -11.530) 11.651 3.826 ( 0.966 0.000 3.161) 3.305 3.867 ( 0.248 0.000 3.963) 3.971 3.929 ( 0.257 0.000 2.300) 2.314 4.018 ( 2.499 0.000 -0.665) 2.586 4.031 ( -3.445 -0.000 2.071) 4.020 4.175 ( -1.050 -0.000 -1.090) 1.513 4.182 ( 0.740 0.000 -2.133) 2.258 4.297 ( 0.576 0.000 3.966) 4.007 4.416 ( -1.010 -0.000 -6.102) 6.185 4.495 ( -4.522 -0.000 -3.747) 5.873 4.633 ( 14.792 0.000 2.602) 15.019 4.710 ( 3.974 0.000 -6.601) 7.705 4.794 ( -3.048 -0.000 -3.255) 4.460 4.956 ( 0.679 0.000 11.609) 11.629 4.985 ( -1.779 -0.000 -8.316) 8.504 5.251 ( -6.885 -0.000 -1.109) 6.974 5.256 ( -3.540 -0.000 -1.214) 3.743 5.467 ( 0.751 0.000 -2.069) 2.201 5.558 ( -0.561 -0.000 7.114) 7.136 5.586 ( -1.363 -0.000 5.610) 5.774 5.872 ( 4.851 0.000 2.409) 5.416 5.976 ( -1.714 -0.000 0.600) 1.816 6.094 ( 0.371 0.000 -4.892) 4.906 6.147 ( -1.875 -0.000 -1.766) 2.576 6.173 ( -0.991 -0.000 -7.446) 7.511 6.374 ( 0.644 0.000 -0.187) 0.671 6.475 ( 1.556 0.000 6.711) 6.889 6.785 ( 2.110 0.000 -2.094) 2.972 7.035 ( -1.247 -0.000 2.097) 2.440 7.136 ( 17.135 0.000 -0.519) 17.143 7.183 ( -7.086 -0.000 0.884) 7.141 7.336 ( 4.566 0.000 -4.024) 6.086 7.503 ( -3.028 -0.000 2.416) 3.873 7.596 ( -1.373 -0.000 1.125) 1.775 7.959 ( 2.655 0.000 2.147) 3.414 8.041 ( -4.014 -0.000 -2.969) 4.993 8.067 ( -0.560 -0.000 5.170) 5.200 8.225 ( -0.844 -0.000 1.211) 1.476 8.379 ( -3.044 -0.000 2.085) 3.690 8.417 ( 0.012 0.000 -4.534) 4.534 8.698 ( -4.254 -0.000 -4.079) 5.894 8.720 ( -3.610 -0.000 3.750) 5.205 8.789 ( 2.703 0.000 -1.170) 2.945 8.989 ( 0.180 0.000 -1.868) 1.876 11.948 ( -1.171 -0.000 0.150) 1.181 12.045 ( 0.961 0.000 -1.855) 2.089 12.107 ( 0.446 0.000 3.660) 3.687 12.286 ( -0.509 -0.000 -0.969) 1.095 15.431 ( 0.277 0.000 0.615) 0.674 15.495 ( -0.900 -0.000 -0.934) 1.297 15.889 ( 2.868 0.000 0.206) 2.875 15.922 ( 1.095 0.000 1.802) 2.109 15.928 ( 0.351 0.000 -0.483) 0.597 15.964 ( -4.837 -0.000 1.992) 5.231 16.075 ( 0.005 0.000 -2.529) 2.529 16.136 ( 0.322 0.000 -1.796) 1.825 16.361 ( 1.352 0.000 1.286) 1.866 16.432 ( -1.219 -0.000 -0.560) 1.342 16.945 ( -0.214 -0.000 1.955) 1.967 17.093 ( -2.688 -0.000 -1.604) 3.130 ======================= Grid point 52 (18/72) ======================= q-point: ( 0.14 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.219 -11.894 18.065) 21.663 0.705 ( 11.347 -15.021 11.799) 22.217 1.205 ( 6.158 -17.481 15.262) 24.009 1.271 ( -1.441 -0.824 1.456) 2.208 1.427 ( -0.170 -0.925 1.911) 2.130 1.516 ( -3.196 -1.406 -0.371) 3.511 1.589 ( 3.760 -6.518 -3.556) 8.323 1.784 ( -0.964 -2.617 7.378) 7.888 1.921 ( 0.557 -1.097 -6.095) 6.217 2.052 ( -3.877 1.332 0.850) 4.186 2.225 ( -6.469 2.189 0.309) 6.836 2.249 ( 4.516 6.015 -3.161) 8.159 2.288 ( 1.577 2.182 5.554) 6.173 2.442 ( 3.791 -2.323 1.401) 4.662 2.510 ( 0.891 -1.148 1.206) 1.889 2.578 ( 1.106 2.279 1.759) 3.083 2.639 ( -0.028 4.451 4.028) 6.004 2.849 ( 1.699 7.641 -3.393) 8.531 2.927 ( 0.007 5.433 -2.503) 5.982 2.996 ( -0.321 -1.099 -0.470) 1.238 3.179 ( 2.293 -0.721 -2.939) 3.797 3.241 ( -0.973 0.676 1.354) 1.799 3.303 ( 1.809 -0.085 -11.490) 11.631 3.383 ( -2.961 -2.043 0.390) 3.619 3.833 ( -0.995 -2.023 3.436) 4.109 3.872 ( -5.141 0.181 1.824) 5.458 3.956 ( 0.981 -2.502 0.346) 2.710 4.008 ( 0.857 1.408 1.489) 2.222 4.079 ( 3.226 -1.532 0.712) 3.641 4.166 ( -0.545 -1.539 -0.820) 1.827 4.212 ( -0.086 -1.993 -0.216) 2.006 4.321 ( 1.389 -0.444 3.306) 3.614 4.384 ( -2.411 0.648 -7.091) 7.518 4.457 ( -1.487 -0.134 1.150) 1.884 4.595 ( 2.609 3.877 4.304) 6.353 4.689 ( -2.034 3.976 -4.593) 6.406 4.843 ( -0.512 0.431 -10.237) 10.258 4.938 ( 1.584 -0.715 0.017) 1.738 5.025 ( -1.512 -3.484 1.671) 4.150 5.166 ( -1.137 1.116 2.598) 3.047 5.223 ( -1.670 0.684 -1.886) 2.610 5.457 ( 0.249 1.503 -1.059) 1.855 5.571 ( -1.335 -1.280 6.375) 6.638 5.634 ( 1.648 -3.420 2.652) 4.631 5.873 ( 3.361 2.630 -1.579) 4.551 5.977 ( -1.900 -1.729 1.903) 3.197 6.057 ( -2.403 3.859 -1.199) 4.701 6.152 ( -2.280 -1.951 -4.418) 5.340 6.175 ( 1.189 -6.371 -2.498) 6.946 6.351 ( -2.531 0.412 2.015) 3.261 6.470 ( 1.385 3.459 5.917) 6.992 6.731 ( -0.206 5.674 -3.303) 6.568 7.009 ( -5.684 4.184 1.653) 7.249 7.053 ( -3.635 0.692 1.294) 3.920 7.214 ( 5.633 4.347 -0.816) 7.161 7.341 ( 5.848 5.513 -1.062) 8.107 7.588 ( 0.252 -5.381 -5.878) 7.974 7.650 ( 0.348 -5.625 -0.896) 5.706 7.869 ( 0.867 6.060 0.220) 6.125 7.993 ( 1.936 3.312 0.279) 3.846 8.143 ( -0.772 -5.417 5.480) 7.744 8.298 ( 1.244 -4.423 2.265) 5.122 8.365 ( -1.605 -1.137 1.483) 2.463 8.426 ( 1.351 -1.198 -3.347) 3.803 8.534 ( -3.051 5.119 5.977) 8.440 8.682 ( -3.700 1.381 0.623) 3.998 8.820 ( 2.175 0.262 0.800) 2.332 8.978 ( 0.045 0.858 -1.854) 2.043 11.946 ( -1.117 -0.843 0.074) 1.401 12.062 ( 1.328 -0.958 -1.450) 2.187 12.105 ( 0.550 1.216 3.646) 3.883 12.275 ( -0.869 0.676 -1.864) 2.165 15.442 ( -0.446 -1.671 0.783) 1.898 15.582 ( -0.816 -6.888 -3.894) 7.954 15.830 ( -1.254 4.950 3.460) 6.168 15.883 ( -0.708 1.245 2.700) 3.057 15.909 ( 0.639 1.256 0.123) 1.415 15.964 ( 1.272 0.753 1.181) 1.892 16.128 ( 0.737 -0.158 -2.773) 2.873 16.184 ( 2.159 -3.897 -6.383) 7.784 16.394 ( 1.204 -1.818 1.095) 2.440 16.440 ( -0.065 -1.908 -0.834) 2.084 16.782 ( -4.906 9.209 10.113) 14.531 16.981 ( -5.558 3.164 0.354) 6.405 ======================= Grid point 53 (19/72) ======================= q-point: ( 0.29 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 3.852 -17.008 8.218) 19.278 1.070 ( 4.507 -13.227 5.152) 14.893 1.225 ( -1.554 1.339 -1.068) 2.313 1.365 ( -0.834 -0.020 2.054) 2.217 1.505 ( -4.118 -1.064 -4.188) 5.969 1.600 ( 3.839 -7.234 -0.319) 8.196 1.782 ( 5.969 -6.216 -4.135) 9.559 1.943 ( -1.937 -8.907 9.901) 13.458 1.963 ( 3.400 -3.671 -4.466) 6.707 2.025 ( -0.007 0.200 -0.886) 0.908 2.144 ( -5.052 -1.241 1.097) 5.317 2.187 ( 5.770 3.784 -2.176) 7.235 2.256 ( -1.030 -0.567 5.233) 5.363 2.462 ( -0.008 7.609 -2.520) 8.016 2.502 ( -0.325 4.334 3.988) 5.899 2.533 ( -0.302 4.209 3.623) 5.562 2.564 ( 6.446 -0.994 0.493) 6.541 2.782 ( -0.401 7.233 -4.797) 8.688 2.786 ( 6.866 1.677 1.800) 7.293 3.027 ( -0.843 -2.693 3.799) 4.732 3.171 ( -1.963 3.625 1.759) 4.482 3.228 ( 0.970 -2.337 -4.483) 5.148 3.303 ( 1.378 2.374 -2.148) 3.486 3.379 ( -3.697 -1.686 2.551) 4.798 3.787 ( -5.313 3.133 0.852) 6.226 3.901 ( -2.961 -4.599 0.068) 5.470 3.943 ( -0.744 2.283 0.489) 2.450 4.028 ( 3.580 0.261 2.104) 4.161 4.102 ( -1.078 0.859 0.537) 1.479 4.213 ( -0.618 -0.870 0.382) 1.133 4.222 ( 1.459 -2.323 -0.977) 2.913 4.324 ( -1.160 1.098 -1.486) 2.182 4.361 ( -0.666 -0.313 2.903) 2.994 4.490 ( -0.617 -2.435 0.075) 2.513 4.552 ( -1.270 0.337 -1.712) 2.158 4.640 ( 1.603 0.234 -0.601) 1.728 4.783 ( 0.927 2.810 -9.111) 9.580 4.940 ( -0.270 1.435 0.313) 1.493 5.063 ( -3.336 -2.623 1.129) 4.392 5.178 ( 1.813 -0.463 1.630) 2.482 5.221 ( 1.475 -0.380 -0.886) 1.762 5.438 ( 1.726 0.420 -1.705) 2.462 5.596 ( -0.990 -1.381 3.250) 3.667 5.722 ( 2.767 -2.621 1.999) 4.304 5.848 ( -0.576 1.115 -5.821) 5.954 5.965 ( -3.418 1.705 -1.550) 4.122 6.004 ( -0.919 -1.063 2.390) 2.773 6.179 ( -0.969 -3.342 -5.485) 6.496 6.292 ( 0.744 -1.947 1.224) 2.417 6.333 ( -2.642 0.073 4.877) 5.547 6.418 ( 2.035 1.443 1.908) 3.141 6.610 ( -1.332 4.357 -3.763) 5.909 6.859 ( -6.261 3.121 2.466) 7.418 7.052 ( -1.439 0.097 1.338) 1.967 7.136 ( 1.080 5.889 -0.150) 5.989 7.260 ( 4.127 6.742 0.558) 7.925 7.635 ( -1.129 -1.672 -6.530) 6.835 7.727 ( 1.485 -0.293 -3.096) 3.446 7.814 ( 1.996 0.655 -0.329) 2.127 7.979 ( 3.240 0.604 -1.126) 3.483 8.238 ( 0.537 -3.509 4.803) 5.972 8.323 ( -0.583 0.707 4.333) 4.429 8.424 ( -1.484 -3.408 -0.187) 3.722 8.480 ( 3.040 0.273 4.796) 5.685 8.486 ( -2.786 -4.135 -2.079) 5.402 8.614 ( -1.643 2.848 0.318) 3.303 8.834 ( 2.209 0.257 1.844) 2.889 8.947 ( -0.843 1.884 -1.805) 2.742 11.957 ( -1.039 -1.383 0.305) 1.757 12.082 ( 0.608 1.700 2.884) 3.402 12.103 ( 1.394 -1.675 -0.639) 2.271 12.240 ( -0.930 1.756 -2.351) 3.078 15.484 ( -1.015 -3.190 0.998) 3.493 15.691 ( 0.283 -4.943 -4.016) 6.375 15.740 ( -0.986 3.542 4.191) 5.576 15.864 ( -0.937 0.580 2.489) 2.722 15.894 ( 1.582 1.416 -0.222) 2.135 15.958 ( 0.328 0.772 1.820) 2.004 16.127 ( 0.741 0.330 -2.590) 2.714 16.214 ( 0.430 0.563 -4.625) 4.679 16.457 ( 1.417 -3.492 -1.316) 3.992 16.492 ( 1.243 -2.550 -0.438) 2.871 16.634 ( -3.611 4.241 7.482) 9.328 16.862 ( -3.790 4.554 -0.574) 5.953 ======================= Grid point 54 (20/72) ======================= q-point: ( 0.43 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.286 0.712 0.329) 0.834 1.257 ( 2.184 -2.815 -0.353) 3.580 1.313 ( 1.798 -8.991 2.169) 9.422 1.358 ( -0.877 -0.714 7.202) 7.290 1.459 ( -3.863 0.408 -3.834) 5.458 1.723 ( 0.280 -4.842 -3.190) 5.805 1.856 ( -0.523 0.076 -3.592) 3.631 1.980 ( 2.309 3.785 -0.416) 4.453 2.012 ( 5.428 0.471 -3.517) 6.485 2.080 ( -0.374 -4.133 -2.028) 4.619 2.145 ( -3.749 -5.001 3.196) 7.020 2.242 ( 2.168 -3.124 -2.141) 4.364 2.272 ( 1.065 9.486 -1.047) 9.602 2.328 ( -1.619 0.657 4.520) 4.846 2.397 ( -0.390 4.488 2.287) 5.052 2.469 ( 0.090 -0.170 6.197) 6.200 2.615 ( 0.815 0.653 -1.372) 1.724 2.688 ( 0.903 1.325 -6.135) 6.341 2.962 ( 10.178 -6.855 3.698) 12.816 3.071 ( 0.212 -1.231 2.034) 2.387 3.118 ( -2.977 -1.533 2.790) 4.359 3.209 ( 0.516 3.671 0.422) 3.731 3.287 ( -1.798 1.860 -1.539) 3.010 3.367 ( -3.117 -1.546 3.263) 4.769 3.666 ( -3.718 3.796 4.197) 6.771 3.894 ( -0.314 1.357 -2.020) 2.453 3.923 ( -0.520 0.380 -1.626) 1.749 4.017 ( -0.901 2.311 2.382) 3.439 4.126 ( 2.360 -3.660 -0.394) 4.373 4.211 ( -1.502 0.428 2.307) 2.786 4.242 ( -2.776 0.836 -0.602) 2.962 4.317 ( -0.072 -1.216 0.506) 1.319 4.364 ( 0.403 0.151 2.379) 2.417 4.489 ( 0.949 -0.901 -1.031) 1.666 4.584 ( 2.649 1.288 -2.907) 4.139 4.673 ( -1.526 -3.517 1.605) 4.157 4.751 ( 1.237 0.328 -6.987) 7.103 4.901 ( 0.509 2.105 0.048) 2.166 5.080 ( -3.079 -2.578 0.026) 4.016 5.200 ( 2.159 0.799 3.316) 4.037 5.233 ( -0.248 0.120 1.138) 1.171 5.470 ( 3.137 -1.170 -3.511) 4.852 5.601 ( -1.007 0.547 1.328) 1.754 5.745 ( 0.416 2.051 1.062) 2.347 5.808 ( -2.373 -0.041 -6.525) 6.943 5.958 ( -0.345 -3.220 -3.635) 4.868 6.026 ( 0.495 -1.866 1.682) 2.561 6.217 ( 0.053 3.959 4.877) 6.282 6.253 ( -1.404 -1.154 -4.348) 4.713 6.278 ( -0.505 3.001 2.761) 4.109 6.489 ( 1.499 -3.592 -1.642) 4.224 6.554 ( -0.554 1.443 -1.747) 2.332 6.813 ( -3.828 -3.076 2.426) 5.477 6.995 ( 1.803 6.421 3.325) 7.452 7.045 ( -1.337 1.914 -1.546) 2.801 7.212 ( 1.205 0.952 1.466) 2.123 7.635 ( 0.515 -0.175 -6.906) 6.928 7.720 ( 0.716 0.483 -3.279) 3.391 7.835 ( 0.998 -0.492 -0.427) 1.192 8.003 ( 1.682 -0.112 -2.157) 2.738 8.294 ( 0.022 -1.462 4.254) 4.498 8.302 ( -0.120 1.592 3.346) 3.708 8.432 ( -1.244 1.692 -0.465) 2.151 8.498 ( -0.958 -2.162 2.475) 3.423 8.540 ( -1.597 -1.499 -0.450) 2.236 8.596 ( 2.209 -1.553 2.976) 4.018 8.853 ( 0.256 0.564 0.031) 0.620 8.896 ( -0.257 1.242 -0.582) 1.396 11.978 ( -0.607 -1.509 0.930) 1.873 12.055 ( 0.064 1.656 2.557) 3.047 12.150 ( 1.371 -1.061 -0.883) 1.945 12.194 ( -0.774 1.087 -2.552) 2.880 15.541 ( -1.107 -3.562 0.924) 3.842 15.651 ( 0.137 4.160 2.368) 4.789 15.798 ( 0.199 -4.743 -1.390) 4.946 15.844 ( -1.538 0.658 -0.416) 1.723 15.879 ( 1.512 1.872 1.957) 3.102 15.950 ( 0.234 0.552 2.336) 2.411 16.127 ( 0.784 -0.068 -2.685) 2.798 16.190 ( 0.083 0.948 -3.145) 3.286 16.505 ( 0.854 1.286 -0.092) 1.546 16.540 ( -0.992 -1.390 -0.722) 1.854 16.590 ( 0.179 -2.654 3.087) 4.075 16.753 ( -1.947 3.631 -0.475) 4.148 ======================= Grid point 55 (21/72) ======================= q-point: (-0.43 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.793 2.745 0.214) 2.865 1.211 ( 0.914 7.521 -2.601) 8.011 1.255 ( -2.824 9.631 2.400) 10.319 1.364 ( -1.061 -0.949 2.523) 2.897 1.545 ( 2.387 -5.088 -0.200) 5.624 1.753 ( 2.153 5.052 -3.889) 6.729 1.814 ( -0.831 1.854 1.209) 2.364 1.945 ( 0.224 0.041 -2.970) 2.979 2.052 ( -3.214 1.043 -1.187) 3.582 2.087 ( -3.731 6.596 5.714) 9.491 2.126 ( 4.405 -4.804 -5.636) 8.617 2.205 ( -0.070 1.772 -2.610) 3.156 2.250 ( 0.533 -0.418 1.137) 1.324 2.342 ( -0.006 -6.784 -0.402) 6.796 2.435 ( -1.809 -0.822 5.194) 5.561 2.520 ( -0.297 -5.061 5.778) 7.686 2.595 ( -3.171 -1.297 -2.986) 4.545 2.693 ( 0.989 -1.037 -2.561) 2.935 2.898 ( -10.063 8.543 2.640) 13.462 3.075 ( -1.713 3.188 0.765) 3.699 3.163 ( 2.878 1.499 -1.626) 3.630 3.208 ( 0.137 -4.219 2.608) 4.962 3.311 ( 4.746 -4.387 0.539) 6.485 3.358 ( -3.499 0.576 3.769) 5.175 3.662 ( 3.355 -3.024 4.819) 6.605 3.890 ( 1.062 -0.764 -1.859) 2.273 3.922 ( 4.059 0.596 -2.588) 4.851 3.985 ( -1.025 0.210 1.948) 2.211 4.134 ( -2.861 3.185 -1.233) 4.455 4.194 ( -0.810 1.661 3.072) 3.585 4.248 ( 1.776 -4.130 0.289) 4.505 4.330 ( -1.785 -0.755 0.879) 2.128 4.363 ( 1.589 1.252 1.555) 2.551 4.514 ( 0.840 3.402 -1.412) 3.778 4.564 ( 2.032 -1.834 -1.786) 3.268 4.693 ( -2.986 0.244 -1.576) 3.385 4.771 ( -1.172 -3.269 -4.259) 5.495 4.889 ( 3.193 1.336 0.979) 3.597 5.113 ( -2.007 -3.628 -0.217) 4.152 5.177 ( -0.772 2.762 2.203) 3.616 5.228 ( 0.900 0.644 2.293) 2.546 5.498 ( -0.402 0.223 -3.011) 3.046 5.577 ( 0.376 0.168 -0.148) 0.438 5.697 ( -1.010 2.376 0.143) 2.585 5.804 ( 1.539 -0.232 -6.282) 6.472 6.007 ( 0.971 -1.654 -3.733) 4.197 6.108 ( 0.105 -4.971 3.700) 6.198 6.132 ( 1.498 4.411 2.871) 5.472 6.169 ( -0.227 3.700 0.258) 3.716 6.331 ( 0.663 -2.668 -1.893) 3.338 6.488 ( -1.598 4.556 -0.894) 4.910 6.548 ( 0.881 -2.777 -1.645) 3.346 6.854 ( 3.103 1.415 4.144) 5.366 6.942 ( -0.122 -1.936 0.036) 1.940 7.055 ( -1.002 -4.112 -0.040) 4.232 7.230 ( -1.967 -2.619 1.618) 3.654 7.645 ( 3.641 0.260 -6.693) 7.624 7.715 ( -1.516 -0.780 -3.296) 3.710 7.853 ( 0.199 -1.052 -0.125) 1.078 7.985 ( -1.610 1.869 -3.137) 3.991 8.271 ( -0.135 1.847 3.274) 3.762 8.311 ( 0.610 0.559 3.854) 3.942 8.359 ( -1.158 3.540 1.144) 3.896 8.524 ( -0.839 0.045 -0.658) 1.067 8.575 ( 2.297 -2.638 2.872) 4.526 8.660 ( -0.174 -2.938 4.193) 5.123 8.783 ( -4.072 2.755 -2.297) 5.427 8.923 ( 1.803 -1.376 -0.173) 2.274 12.000 ( 0.577 -0.152 2.051) 2.136 12.034 ( -1.091 -0.097 1.429) 1.801 12.123 ( -0.193 2.350 -2.114) 3.166 12.220 ( 0.638 -2.321 -1.310) 2.740 15.561 ( -0.293 2.677 1.174) 2.938 15.621 ( -0.098 -2.358 1.794) 2.965 15.798 ( -0.220 3.236 -1.523) 3.584 15.853 ( -1.296 -1.183 1.605) 2.377 15.891 ( 1.654 -1.899 0.807) 2.645 15.946 ( -0.663 0.051 1.896) 2.010 16.133 ( 0.178 -0.328 -2.396) 2.425 16.187 ( 1.404 -0.477 -3.619) 3.911 16.460 ( -1.215 2.096 0.609) 2.498 16.538 ( -0.737 0.682 -0.028) 1.005 16.648 ( -0.147 0.312 2.607) 2.629 16.732 ( 2.575 -3.303 -1.195) 4.355 ======================= Grid point 56 (22/72) ======================= q-point: (-0.29 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.151 20.636 2.043) 20.738 1.047 ( -6.198 11.315 4.663) 13.718 1.207 ( 2.775 -1.597 -0.376) 3.224 1.384 ( -1.102 -1.798 2.051) 2.941 1.592 ( -2.363 7.745 -2.074) 8.359 1.595 ( 2.280 5.380 -1.567) 6.050 1.716 ( -1.157 6.862 1.255) 7.071 1.933 ( -6.481 2.607 0.946) 7.049 1.967 ( -2.356 4.415 2.706) 5.689 2.042 ( 3.853 -0.373 -0.185) 3.875 2.130 ( -2.174 -1.122 -1.443) 2.840 2.184 ( -0.197 2.849 0.829) 2.974 2.332 ( 2.243 -4.603 2.254) 5.594 2.370 ( -5.335 -0.922 3.778) 6.602 2.503 ( -0.009 -6.566 0.524) 6.587 2.572 ( -1.463 -1.415 1.843) 2.746 2.624 ( -5.370 0.067 3.244) 6.274 2.684 ( -0.420 -5.354 -4.386) 6.934 2.821 ( -2.396 -7.153 -1.130) 7.628 3.012 ( 0.416 2.538 2.582) 3.644 3.160 ( 2.395 1.856 -2.510) 3.934 3.272 ( 0.980 -2.613 -5.696) 6.343 3.305 ( -4.145 0.977 4.008) 5.848 3.396 ( 2.039 -1.243 2.056) 3.151 3.800 ( 5.951 -3.914 3.884) 8.113 3.908 ( 4.012 2.534 -0.083) 4.746 3.937 ( 2.110 1.135 -0.344) 2.420 3.992 ( -2.362 -1.804 1.136) 3.182 4.058 ( -0.083 1.870 -4.490) 4.864 4.153 ( -1.485 2.033 4.150) 4.854 4.311 ( -1.380 -0.501 1.897) 2.399 4.338 ( -0.069 -0.930 0.865) 1.272 4.363 ( 1.251 -0.736 -1.070) 1.803 4.426 ( 2.531 4.940 -1.031) 5.646 4.619 ( -4.952 -0.161 -4.374) 6.609 4.656 ( 1.469 -2.534 -2.230) 3.681 4.818 ( 0.627 -2.129 -3.482) 4.129 4.891 ( 2.646 1.599 2.182) 3.784 5.105 ( -2.196 2.441 -1.059) 3.450 5.183 ( -0.315 -3.588 0.018) 3.601 5.229 ( -0.367 -0.559 2.806) 2.884 5.469 ( -2.111 -0.272 -2.280) 3.119 5.601 ( 2.569 0.099 1.106) 2.799 5.637 ( -1.651 2.627 2.015) 3.700 5.803 ( 1.893 1.050 -5.850) 6.237 6.015 ( 0.661 0.700 -1.326) 1.639 6.056 ( -0.711 3.268 1.657) 3.732 6.164 ( 2.935 -0.679 -1.504) 3.367 6.221 ( 2.778 -2.995 2.906) 5.013 6.329 ( 0.548 4.774 -0.536) 4.835 6.395 ( -1.764 -0.098 0.635) 1.878 6.641 ( 0.602 -6.118 -2.034) 6.475 6.874 ( 6.061 0.362 3.571) 7.045 7.007 ( 2.893 -2.397 -0.966) 3.879 7.145 ( -3.604 -6.248 0.943) 7.274 7.275 ( -3.580 -4.643 0.309) 5.871 7.645 ( 4.814 3.786 -5.876) 8.488 7.718 ( -2.041 -1.420 -3.380) 4.197 7.865 ( -2.565 -0.339 0.265) 2.601 7.926 ( -1.832 -0.299 -2.518) 3.128 8.235 ( -0.290 2.545 1.146) 2.806 8.292 ( 1.977 2.632 4.240) 5.367 8.324 ( -0.072 -0.247 4.243) 4.251 8.492 ( -1.991 1.731 0.398) 2.668 8.637 ( -1.821 -0.058 2.585) 3.163 8.693 ( 1.730 -0.325 4.409) 4.748 8.728 ( -2.842 -2.431 -2.459) 4.476 8.958 ( 0.918 -1.051 -1.459) 2.019 11.989 ( -0.081 1.332 1.537) 2.035 12.050 ( -0.283 -1.202 0.976) 1.575 12.083 ( -0.201 1.181 -0.999) 1.560 12.263 ( 0.429 -1.789 -1.321) 2.265 15.499 ( -0.121 3.296 1.205) 3.511 15.668 ( 1.404 0.265 -1.922) 2.395 15.735 ( -0.281 1.383 1.897) 2.365 15.871 ( -1.637 -2.105 2.364) 3.564 15.933 ( 0.849 -0.747 1.150) 1.613 15.945 ( -1.279 -0.930 0.718) 1.737 16.136 ( -0.397 -0.393 -2.057) 2.131 16.209 ( 1.767 -0.307 -6.048) 6.309 16.412 ( -0.789 2.139 -0.020) 2.280 16.504 ( -1.302 1.718 0.232) 2.168 16.649 ( 1.075 -1.065 6.494) 6.668 16.854 ( 4.349 -5.117 -0.700) 6.752 ======================= Grid point 57 (23/72) ======================= q-point: (-0.14 0.00 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -0.696 13.625 13.716) 19.345 0.714 ( -13.369 14.221 13.083) 23.498 1.187 ( -8.065 18.335 13.737) 24.289 1.266 ( -0.048 2.868 3.494) 4.521 1.445 ( -1.449 -2.755 4.829) 5.745 1.539 ( 2.134 3.120 -2.156) 4.352 1.586 ( -2.319 4.835 -4.268) 6.853 1.775 ( -1.311 2.571 9.181) 9.624 1.934 ( -0.971 0.430 -5.355) 5.459 2.122 ( 2.046 -3.586 -0.599) 4.172 2.137 ( 1.053 -1.126 1.905) 2.450 2.221 ( 4.792 -2.349 0.140) 5.338 2.365 ( -5.777 -2.995 1.087) 6.597 2.420 ( -2.274 -2.658 1.658) 3.871 2.512 ( -2.802 2.912 0.682) 4.098 2.568 ( -0.221 -1.327 2.446) 2.792 2.647 ( -1.626 -3.032 3.314) 4.777 2.845 ( 0.031 -9.296 -4.406) 10.287 2.935 ( -0.683 -5.063 -1.370) 5.290 2.993 ( 1.247 0.917 -1.046) 1.868 3.147 ( 1.477 0.441 -3.221) 3.571 3.259 ( -1.232 0.655 1.179) 1.827 3.310 ( 0.753 -1.385 -10.325) 10.444 3.415 ( 0.385 2.035 -1.543) 2.582 3.827 ( 0.501 2.808 2.655) 3.897 3.879 ( 4.743 2.995 3.400) 6.559 3.959 ( -1.188 2.375 1.717) 3.162 4.012 ( 0.541 -2.945 0.140) 2.997 4.036 ( 0.588 -0.157 -3.358) 3.412 4.127 ( 0.492 -0.115 4.241) 4.272 4.259 ( -1.827 4.357 -2.330) 5.268 4.311 ( -2.239 0.310 1.522) 2.725 4.411 ( 1.788 -1.911 -0.704) 2.710 4.435 ( 5.044 -1.149 4.734) 7.013 4.551 ( -3.973 0.467 -6.224) 7.399 4.724 ( 2.124 -1.398 -4.870) 5.494 4.833 ( 2.674 2.113 -7.462) 8.203 4.903 ( 1.646 -0.833 8.552) 8.748 5.040 ( -1.520 2.224 -3.158) 4.152 5.223 ( -3.807 -3.994 -0.529) 5.543 5.268 ( -1.370 -2.661 0.497) 3.034 5.467 ( -0.663 -0.543 -2.299) 2.454 5.584 ( -1.008 2.018 6.605) 6.979 5.604 ( 0.006 1.224 2.863) 3.113 5.809 ( 3.224 -0.610 -2.085) 3.888 5.995 ( 0.082 1.385 -0.862) 1.633 6.057 ( 2.548 -3.291 1.262) 4.349 6.169 ( -0.483 4.694 -2.026) 5.136 6.181 ( 1.171 2.193 -2.448) 3.489 6.335 ( 2.948 -1.716 1.502) 3.727 6.434 ( 0.490 -2.575 4.163) 4.920 6.745 ( -1.097 -4.528 -2.057) 5.093 6.960 ( 6.818 -2.141 1.513) 7.305 7.069 ( 6.001 0.322 0.548) 6.035 7.199 ( -6.060 -3.798 1.019) 7.224 7.318 ( -2.843 -2.611 -2.557) 4.630 7.578 ( 2.429 5.391 -4.150) 7.224 7.665 ( -1.848 4.339 0.038) 4.717 7.883 ( -1.878 -4.822 -1.159) 5.303 7.970 ( 0.506 -3.940 -0.110) 3.974 8.167 ( -0.743 4.418 0.504) 4.508 8.265 ( 0.113 2.294 3.163) 3.909 8.377 ( 0.538 -3.532 2.344) 4.273 8.434 ( -2.770 1.577 0.308) 3.202 8.599 ( -4.278 -2.790 4.897) 7.076 8.742 ( -1.561 -0.910 3.216) 3.689 8.760 ( 2.882 -1.779 -1.354) 3.648 8.978 ( 0.652 -0.633 -1.938) 2.141 11.965 ( -0.881 0.771 0.621) 1.325 12.048 ( 0.648 0.775 -1.985) 2.228 12.089 ( -0.033 -1.019 3.039) 3.206 12.288 ( 0.081 -0.679 -1.374) 1.535 15.447 ( -0.223 2.002 0.604) 2.103 15.593 ( 1.073 6.412 -3.967) 7.616 15.787 ( 2.239 -3.797 4.109) 6.026 15.901 ( -0.951 -1.583 1.575) 2.427 15.944 ( 1.232 0.872 0.466) 1.580 15.956 ( -4.808 -3.364 1.496) 6.056 16.134 ( -0.534 -0.023 -2.310) 2.371 16.182 ( -0.064 3.657 -7.842) 8.653 16.370 ( 0.502 1.894 0.523) 2.028 16.459 ( -1.460 1.440 -0.103) 2.053 16.771 ( 3.232 -9.222 11.295) 14.935 16.984 ( 5.587 -3.705 0.574) 6.729 ======================= Grid point 59 (24/72) ======================= q-point: ( 0.14 0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 12.296 0.000 17.937) 21.747 0.684 ( 9.523 0.000 20.364) 22.481 1.089 ( 18.316 0.000 23.977) 30.172 1.252 ( -3.518 -0.000 -0.188) 3.523 1.450 ( -5.121 -0.000 8.685) 10.083 1.486 ( 9.893 0.000 -10.313) 14.290 1.536 ( 0.363 0.000 -1.718) 1.756 1.760 ( -0.929 -0.000 4.137) 4.240 1.905 ( -0.314 -0.000 -4.405) 4.417 2.029 ( -3.431 -0.000 -0.367) 3.451 2.187 ( -7.236 -0.000 -2.687) 7.719 2.301 ( -2.418 -0.000 6.165) 6.622 2.392 ( 4.763 0.000 -6.079) 7.722 2.444 ( 5.179 0.000 1.734) 5.462 2.503 ( 1.590 0.000 4.821) 5.077 2.630 ( 2.274 0.000 1.662) 2.816 2.692 ( 1.934 0.000 4.128) 4.558 2.936 ( -1.802 -0.000 -1.038) 2.080 2.954 ( -0.294 -0.000 -4.044) 4.054 3.010 ( 3.208 0.000 -3.425) 4.693 3.177 ( 0.908 0.000 -2.370) 2.538 3.265 ( 0.259 0.000 -4.469) 4.476 3.294 ( -0.882 -0.000 1.356) 1.618 3.318 ( 0.800 0.000 -9.880) 9.913 3.790 ( -8.100 -0.000 2.996) 8.636 3.864 ( 1.846 0.000 4.676) 5.027 3.931 ( -1.924 -0.000 3.592) 4.074 4.026 ( 1.381 0.000 2.167) 2.570 4.084 ( 4.104 0.000 0.639) 4.153 4.131 ( -1.446 -0.000 -1.678) 2.215 4.205 ( 2.402 0.000 -2.348) 3.359 4.331 ( 0.992 0.000 2.897) 3.062 4.362 ( -2.626 -0.000 -7.327) 7.783 4.442 ( -0.758 -0.000 0.871) 1.154 4.693 ( -5.134 -0.000 -4.687) 6.951 4.743 ( -3.004 -0.000 4.519) 5.427 4.745 ( 0.339 0.000 -5.553) 5.564 4.934 ( -0.615 -0.000 -10.987) 11.004 4.960 ( -1.289 -0.000 5.962) 6.100 5.194 ( 2.212 0.000 4.705) 5.199 5.213 ( -0.167 -0.000 -0.171) 0.239 5.484 ( 1.693 0.000 -3.449) 3.842 5.573 ( 0.115 0.000 7.754) 7.755 5.596 ( 0.274 0.000 4.660) 4.668 5.918 ( -2.310 -0.000 -3.019) 3.801 5.975 ( 2.270 0.000 7.880) 8.201 6.069 ( -3.337 -0.000 -3.283) 4.682 6.078 ( -4.284 -0.000 -4.009) 5.867 6.105 ( 0.984 0.000 -5.998) 6.078 6.310 ( -5.943 -0.000 1.039) 6.033 6.523 ( 1.023 0.000 6.890) 6.966 6.805 ( -0.053 -0.000 -5.389) 5.389 6.940 ( -7.304 -0.000 1.273) 7.415 7.026 ( -8.607 -0.000 -0.985) 8.663 7.416 ( -1.640 -0.000 -2.032) 2.611 7.449 ( 13.308 0.000 -5.535) 14.413 7.497 ( 6.925 0.000 2.140) 7.248 7.575 ( -1.301 -0.000 2.306) 2.648 7.974 ( -0.380 -0.000 -0.929) 1.003 8.031 ( 3.553 0.000 0.997) 3.690 8.098 ( 1.841 0.000 6.908) 7.149 8.226 ( -1.100 -0.000 -3.518) 3.686 8.360 ( -1.115 -0.000 5.781) 5.887 8.403 ( -0.066 -0.000 -4.813) 4.813 8.605 ( -1.336 -0.000 0.724) 1.519 8.651 ( -4.162 -0.000 3.265) 5.290 8.833 ( 1.837 0.000 -0.272) 1.857 8.987 ( 0.549 0.000 -2.052) 2.125 11.928 ( -0.960 -0.000 -0.082) 0.964 12.063 ( 1.447 0.000 -1.401) 2.014 12.130 ( 0.644 0.000 3.781) 3.836 12.267 ( -1.090 -0.000 -1.359) 1.742 15.443 ( 0.652 0.000 1.104) 1.282 15.472 ( -1.084 -0.000 -1.174) 1.598 15.836 ( -4.596 -0.000 5.152) 6.904 15.899 ( 0.065 0.000 1.015) 1.017 15.924 ( -0.444 -0.000 -0.592) 0.740 16.085 ( 7.544 0.000 -4.108) 8.590 16.091 ( 2.065 0.000 -2.237) 3.044 16.146 ( 1.260 0.000 -2.215) 2.548 16.400 ( 2.161 0.000 2.298) 3.155 16.411 ( -0.761 -0.000 -1.594) 1.767 16.848 ( -14.879 -0.000 10.499) 18.210 16.906 ( -4.279 -0.000 1.375) 4.494 ======================= Grid point 60 (25/72) ======================= q-point: ( 0.29 0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 11.978 -5.523 15.120) 20.065 0.913 ( 8.020 -9.213 12.781) 17.679 1.214 ( -3.741 0.022 -1.021) 3.878 1.354 ( -0.123 -2.181 2.851) 3.592 1.462 ( 1.613 -1.210 -2.077) 2.895 1.550 ( 10.429 -5.206 9.848) 15.260 1.670 ( 5.063 -6.891 -0.697) 8.579 1.823 ( 3.920 -4.464 2.483) 6.439 1.903 ( -0.521 -2.751 -2.390) 3.681 2.013 ( 0.446 -0.861 -4.085) 4.199 2.104 ( -5.826 0.604 -1.708) 6.102 2.256 ( -2.448 2.196 4.936) 5.931 2.357 ( 4.030 5.522 -3.161) 7.532 2.497 ( 1.283 -0.967 1.639) 2.295 2.539 ( 1.054 0.042 4.149) 4.281 2.619 ( 1.878 3.303 1.350) 4.032 2.683 ( 3.461 3.410 2.425) 5.430 2.883 ( 2.239 4.085 -1.693) 4.957 2.911 ( -0.514 3.818 -2.447) 4.564 2.999 ( 1.331 1.220 -1.194) 2.165 3.197 ( 0.456 -0.304 -3.087) 3.135 3.229 ( -0.689 1.199 -0.345) 1.426 3.295 ( -0.961 -1.778 -4.060) 4.535 3.341 ( -0.552 -0.297 -2.326) 2.409 3.736 ( -8.628 -2.702 2.105) 9.283 3.834 ( -0.771 2.322 3.819) 4.535 3.963 ( -0.553 -0.761 3.592) 3.713 4.042 ( 0.647 -0.514 2.147) 2.300 4.111 ( -0.392 0.460 -1.514) 1.630 4.150 ( 0.497 -2.305 0.770) 2.480 4.241 ( 1.689 -0.503 -0.562) 1.850 4.321 ( -0.452 0.355 -6.946) 6.969 4.358 ( 1.821 -1.651 2.367) 3.412 4.449 ( -0.281 -0.395 2.421) 2.469 4.565 ( -3.987 3.690 0.567) 5.461 4.668 ( -0.517 1.988 -2.099) 2.937 4.791 ( -1.881 -0.987 -7.948) 8.227 4.941 ( -0.357 -1.120 -3.927) 4.099 4.976 ( -2.847 -2.472 2.622) 4.593 5.225 ( 5.162 0.886 2.627) 5.859 5.230 ( 2.761 -0.475 0.160) 2.806 5.472 ( 1.984 1.584 -3.256) 4.129 5.572 ( -0.455 -0.330 5.661) 5.688 5.673 ( 1.502 -4.535 2.989) 5.635 5.861 ( -3.734 2.168 -4.408) 6.170 5.969 ( -2.714 2.134 3.448) 4.879 5.999 ( -0.576 0.899 -1.986) 2.255 6.089 ( -2.231 -3.297 -6.298) 7.450 6.192 ( 0.152 -6.520 -1.552) 6.704 6.277 ( -4.478 -2.212 2.899) 5.775 6.503 ( 0.121 3.434 5.340) 6.350 6.690 ( -2.788 6.508 -3.159) 7.753 6.891 ( -5.840 4.724 0.139) 7.513 6.962 ( -5.140 -4.720 -0.129) 6.980 7.299 ( 2.242 7.283 0.149) 7.622 7.436 ( 3.183 6.990 0.408) 7.691 7.588 ( 1.413 -1.493 -0.240) 2.069 7.684 ( 4.165 -5.371 -2.255) 7.161 7.909 ( 3.116 4.984 -2.358) 6.333 8.033 ( 2.138 2.192 -1.248) 3.307 8.176 ( 1.685 -4.230 3.463) 5.721 8.282 ( -3.444 -6.276 1.908) 7.408 8.348 ( -1.008 0.476 3.756) 3.918 8.415 ( -0.665 -1.686 -3.612) 4.041 8.558 ( 2.208 3.389 3.516) 5.359 8.633 ( -0.843 0.364 1.898) 2.108 8.850 ( 1.053 -0.215 -0.137) 1.084 8.974 ( 0.103 1.588 -2.058) 2.602 11.928 ( -0.726 -0.820 0.085) 1.099 12.086 ( 1.455 -1.099 -1.236) 2.203 12.125 ( 0.352 1.427 3.543) 3.836 12.250 ( -1.066 0.652 -1.758) 2.157 15.435 ( -0.574 -0.922 0.904) 1.414 15.559 ( -0.525 -6.778 -1.697) 7.007 15.787 ( -3.202 1.953 4.008) 5.488 15.884 ( 0.093 1.479 0.680) 1.630 15.924 ( 0.177 -0.027 0.304) 0.353 16.025 ( 4.208 4.399 0.493) 6.108 16.141 ( 1.440 0.434 -2.732) 3.118 16.211 ( 2.232 -1.847 -4.646) 5.475 16.399 ( -0.308 -1.572 -0.757) 1.772 16.463 ( 2.047 -2.603 0.615) 3.368 16.690 ( -6.486 4.357 8.753) 11.733 16.863 ( -6.467 0.875 0.145) 6.527 ======================= Grid point 61 (26/72) ======================= q-point: ( 0.43 0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 7.512 -10.312 6.089) 14.136 1.152 ( 3.548 -8.257 2.469) 9.320 1.185 ( -1.630 -1.996 3.051) 3.994 1.347 ( -2.091 -0.049 2.734) 3.442 1.469 ( 2.586 1.748 -1.749) 3.578 1.664 ( 1.881 -1.560 -1.383) 2.808 1.811 ( -2.426 -4.664 3.380) 6.250 1.943 ( 0.566 -7.045 1.857) 7.307 1.996 ( -2.714 -3.047 0.354) 4.096 2.038 ( 0.010 0.168 -1.019) 1.033 2.093 ( 4.479 -1.146 -4.022) 6.128 2.254 ( 1.460 -1.695 -0.001) 2.237 2.299 ( 5.372 2.432 -1.367) 6.053 2.468 ( -0.658 5.111 0.554) 5.183 2.501 ( -1.167 4.025 4.732) 6.321 2.552 ( 2.084 6.516 1.404) 6.984 2.659 ( 3.394 3.324 -2.779) 5.504 2.756 ( -0.618 6.361 -4.721) 7.945 2.954 ( 7.032 -4.507 5.592) 10.052 3.019 ( 1.559 -1.917 2.457) 3.484 3.166 ( 1.325 4.479 -1.746) 4.987 3.228 ( 0.602 -2.080 -4.065) 4.606 3.304 ( -4.588 -1.516 2.339) 5.369 3.321 ( 0.824 1.989 -0.733) 2.274 3.686 ( -6.112 1.325 1.944) 6.549 3.845 ( -2.810 -4.129 1.651) 5.260 3.917 ( -2.563 2.854 1.020) 3.969 4.024 ( -5.134 1.363 2.109) 5.716 4.106 ( 2.401 -0.958 -0.012) 2.585 4.187 ( -0.665 -2.018 0.730) 2.247 4.252 ( 0.758 1.747 -0.261) 1.922 4.323 ( 1.916 0.200 -1.328) 2.340 4.384 ( 1.584 0.317 4.311) 4.604 4.464 ( -2.410 -0.892 -0.979) 2.750 4.550 ( 0.818 -4.456 -2.749) 5.299 4.642 ( 0.019 1.005 0.877) 1.334 4.765 ( -0.870 0.833 -8.737) 8.820 4.936 ( -0.047 0.746 0.921) 1.185 5.004 ( -1.900 -2.682 0.118) 3.289 5.256 ( 4.213 1.326 3.529) 5.654 5.260 ( 3.411 0.685 0.751) 3.559 5.480 ( 3.378 -0.186 -5.078) 6.101 5.589 ( -0.881 -0.982 4.107) 4.314 5.752 ( -2.457 -1.257 1.826) 3.309 5.787 ( -1.752 0.910 -5.495) 5.839 5.897 ( -1.845 -0.623 -4.960) 5.329 6.002 ( -0.921 -0.662 1.251) 1.689 6.143 ( -0.838 -4.437 -4.920) 6.679 6.270 ( -3.755 -3.066 3.774) 6.144 6.319 ( -0.074 -0.294 4.138) 4.149 6.449 ( 0.862 0.493 0.164) 1.006 6.566 ( -1.865 2.967 -2.970) 4.593 6.772 ( -3.796 2.491 1.604) 4.815 6.989 ( -3.615 -2.222 -0.857) 4.329 7.191 ( 3.065 6.988 1.180) 7.722 7.309 ( 0.565 7.781 2.293) 8.131 7.598 ( -1.357 -0.719 -2.220) 2.700 7.763 ( 3.501 0.710 -4.981) 6.130 7.871 ( 3.962 1.823 -1.281) 4.546 8.022 ( 1.787 0.883 -2.980) 3.585 8.254 ( -0.419 -2.854 3.043) 4.193 8.333 ( 0.263 0.770 4.155) 4.234 8.383 ( -3.950 -6.973 2.040) 8.270 8.431 ( -0.943 -0.951 -1.791) 2.236 8.530 ( 1.028 1.841 3.222) 3.851 8.634 ( 3.012 0.840 1.896) 3.657 8.864 ( 0.779 -0.232 -0.164) 0.829 8.923 ( -1.066 2.680 -1.525) 3.262 11.945 ( -0.420 -1.441 0.484) 1.578 12.096 ( -0.064 1.965 2.838) 3.453 12.128 ( 1.213 -1.897 -0.970) 2.452 12.216 ( -0.668 1.765 -2.051) 2.787 15.468 ( -0.918 -2.967 1.199) 3.329 15.682 ( -0.239 -6.048 -2.570) 6.576 15.721 ( -1.852 2.435 3.554) 4.689 15.858 ( 0.320 1.403 0.141) 1.446 15.920 ( 0.109 0.893 1.398) 1.662 15.994 ( 2.749 2.719 1.784) 4.258 16.138 ( 1.249 0.626 -2.774) 3.106 16.210 ( 0.260 1.408 -3.044) 3.364 16.460 ( -0.119 -4.125 -2.098) 4.629 16.524 ( 1.514 -1.896 0.644) 2.510 16.594 ( -1.991 2.644 5.198) 6.162 16.776 ( -4.896 2.139 -0.576) 5.374 ======================= Grid point 62 (27/72) ======================= q-point: ( 0.57 0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -1.295 -0.260 1.810) 2.241 1.260 ( -0.634 -1.638 -0.964) 2.004 1.335 ( -1.120 -0.925 1.252) 1.918 1.426 ( 1.258 0.830 -1.766) 2.322 1.446 ( 7.431 -4.493 7.358) 11.382 1.705 ( -2.261 -4.169 -4.232) 6.356 1.818 ( -1.645 -0.112 -1.808) 2.447 1.965 ( -4.056 0.437 0.284) 4.089 2.032 ( 0.177 -1.235 -3.406) 3.627 2.129 ( 4.649 -0.902 -3.108) 5.664 2.162 ( 3.106 -7.569 8.011) 11.451 2.254 ( -1.953 8.597 -0.358) 8.823 2.302 ( 4.191 0.161 -1.556) 4.473 2.332 ( 0.577 7.929 -3.150) 8.552 2.421 ( 2.127 2.126 3.592) 4.685 2.458 ( -2.717 1.014 3.926) 4.881 2.580 ( -3.075 3.868 -2.993) 5.777 2.698 ( 1.351 0.799 -4.323) 4.599 3.006 ( -3.954 6.139 1.933) 7.554 3.093 ( 0.546 -0.996 0.468) 1.228 3.138 ( 1.792 0.390 4.292) 4.667 3.244 ( 3.523 1.249 -1.855) 4.173 3.283 ( 0.767 -1.607 2.206) 2.835 3.331 ( 0.374 -1.939 1.127) 2.274 3.643 ( -0.463 -1.469 5.094) 5.322 3.850 ( -2.680 -1.117 -1.731) 3.380 3.911 ( -1.825 -2.925 -1.883) 3.929 3.970 ( -3.438 -0.420 3.749) 5.104 4.159 ( -1.801 -0.472 1.463) 2.367 4.191 ( 0.252 1.781 -1.704) 2.478 4.223 ( 2.885 -1.436 1.705) 3.646 4.330 ( 1.145 0.735 -0.088) 1.364 4.403 ( 2.008 0.636 2.019) 2.918 4.481 ( -1.598 -2.997 -0.579) 3.446 4.610 ( -1.335 1.857 1.618) 2.801 4.644 ( 0.372 -4.174 -2.008) 4.647 4.718 ( -1.571 1.846 -7.600) 7.978 4.929 ( 0.573 0.450 2.363) 2.473 5.048 ( 1.025 -2.679 -0.405) 2.897 5.234 ( -0.337 3.294 3.644) 4.924 5.280 ( 4.530 1.711 0.444) 4.863 5.501 ( 0.183 0.463 -2.505) 2.554 5.578 ( -1.002 0.309 -0.468) 1.148 5.710 ( -2.850 1.303 -0.529) 3.178 5.796 ( 2.668 -2.548 -5.428) 6.563 5.946 ( -0.230 -3.202 -2.999) 4.393 6.029 ( -0.560 -3.484 -0.164) 3.533 6.198 ( -1.875 -1.408 1.130) 2.603 6.244 ( -0.648 5.371 5.304) 7.576 6.280 ( 0.646 -1.267 -1.994) 2.449 6.498 ( 0.061 -2.015 -2.018) 2.852 6.534 ( -0.557 0.133 -1.524) 1.628 6.763 ( -2.061 -4.640 2.261) 5.557 6.988 ( -1.648 -0.875 -0.482) 1.927 7.083 ( 3.765 7.567 2.153) 8.722 7.202 ( -2.435 2.315 1.948) 3.884 7.606 ( -1.483 -2.171 -3.210) 4.150 7.746 ( 2.852 2.291 -6.256) 7.247 7.881 ( 3.861 1.323 -1.108) 4.229 8.002 ( -1.057 1.743 -3.270) 3.853 8.286 ( -1.224 -0.846 2.471) 2.884 8.324 ( 0.187 0.616 4.126) 4.176 8.414 ( -0.461 1.988 2.879) 3.529 8.486 ( -1.971 -6.392 0.852) 6.743 8.525 ( 1.181 0.255 -0.263) 1.236 8.657 ( 2.692 0.087 4.064) 4.875 8.815 ( -2.347 4.041 -1.891) 5.041 8.910 ( 0.502 -1.244 -0.081) 1.344 11.975 ( -0.073 -1.909 1.128) 2.219 12.058 ( -0.462 2.051 2.348) 3.152 12.169 ( 0.020 2.538 -1.869) 3.152 12.176 ( 0.524 -2.415 -1.534) 2.908 15.527 ( -0.500 -3.685 1.307) 3.942 15.646 ( -1.214 3.146 2.107) 3.976 15.792 ( -0.283 -4.095 -1.013) 4.228 15.840 ( 0.786 0.879 -0.611) 1.328 15.898 ( -0.094 1.142 2.275) 2.548 15.968 ( 0.762 2.116 1.666) 2.799 16.134 ( 0.658 0.410 -2.595) 2.708 16.190 ( 0.777 0.222 -3.160) 3.262 16.475 ( -2.189 0.766 0.702) 2.423 16.561 ( 1.972 1.190 -0.290) 2.321 16.609 ( 0.845 -4.260 1.827) 4.711 16.708 ( -2.546 0.549 -0.579) 2.668 ======================= Grid point 63 (28/72) ======================= q-point: (-0.29 0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.207 1.080 0.467) 1.195 1.196 ( -0.982 7.042 -0.746) 7.149 1.268 ( 2.493 11.339 1.692) 11.732 1.357 ( -0.699 -0.911 3.840) 4.008 1.599 ( 2.307 -4.142 0.098) 4.742 1.747 ( 0.110 3.523 -6.648) 7.524 1.848 ( 2.737 2.801 -0.121) 3.918 1.857 ( -5.506 0.759 -4.215) 6.975 2.024 ( -1.357 2.697 1.610) 3.422 2.072 ( 2.205 2.502 -1.018) 3.487 2.156 ( -2.427 6.905 -4.907) 8.812 2.219 ( 4.863 -2.926 -2.518) 6.209 2.304 ( 3.353 0.907 2.786) 4.453 2.348 ( 0.237 -4.990 0.951) 5.085 2.395 ( -3.663 1.415 5.697) 6.919 2.498 ( -4.453 -0.509 -1.799) 4.829 2.547 ( 0.476 -9.020 5.384) 10.515 2.691 ( -1.494 3.480 0.345) 3.803 2.750 ( -4.128 8.041 2.328) 9.334 3.064 ( -0.287 2.680 3.017) 4.045 3.195 ( -0.061 -3.519 0.061) 3.520 3.235 ( 2.493 1.958 -0.368) 3.192 3.272 ( -4.221 -0.134 3.549) 5.517 3.407 ( 2.615 -0.859 0.462) 2.791 3.754 ( 4.265 -6.237 3.860) 8.485 3.893 ( 0.232 -3.694 -0.501) 3.735 3.917 ( -2.972 -1.261 -1.225) 3.453 3.993 ( -0.033 -0.900 0.179) 0.918 4.101 ( 1.467 2.272 -2.805) 3.897 4.177 ( -1.647 0.761 2.683) 3.239 4.296 ( 0.796 0.100 0.583) 0.992 4.326 ( 2.087 -1.599 -0.455) 2.669 4.385 ( -0.210 2.504 0.909) 2.672 4.526 ( -1.381 -2.051 1.799) 3.058 4.561 ( 1.040 2.057 0.621) 2.387 4.648 ( -1.690 2.441 -6.264) 6.932 4.722 ( -1.207 -5.142 -4.019) 6.637 4.928 ( 0.277 0.451 1.325) 1.427 5.118 ( 1.995 -2.006 0.176) 2.834 5.162 ( -1.266 2.447 2.850) 3.965 5.265 ( 1.718 3.205 -0.441) 3.663 5.451 ( -2.931 1.121 -0.735) 3.223 5.602 ( 1.643 -1.336 -1.953) 2.881 5.675 ( -0.237 1.160 1.435) 1.861 5.841 ( 3.327 0.951 -6.180) 7.083 5.993 ( -1.244 -2.467 -2.483) 3.715 6.084 ( -2.188 -1.407 0.535) 2.656 6.156 ( 0.001 0.742 7.729) 7.764 6.217 ( 3.406 -0.375 -2.058) 3.997 6.333 ( -0.116 -2.502 -1.476) 2.907 6.459 ( -0.820 4.690 -0.827) 4.833 6.553 ( 0.401 -2.676 -1.761) 3.228 6.881 ( -0.495 -7.362 2.046) 7.657 6.967 ( 0.580 2.297 4.170) 4.796 7.060 ( 2.670 -2.059 -1.864) 3.853 7.174 ( -3.798 -2.094 0.790) 4.409 7.644 ( -1.016 -3.327 -3.335) 4.819 7.723 ( 2.763 1.883 -7.543) 8.251 7.884 ( 2.332 2.023 -0.132) 3.090 7.928 ( -2.673 2.530 -2.749) 4.593 8.271 ( -0.680 1.505 2.680) 3.147 8.326 ( -0.795 -0.099 4.302) 4.376 8.378 ( 2.293 2.780 5.233) 6.354 8.515 ( -0.121 1.590 -1.339) 2.082 8.583 ( -1.307 -4.815 0.158) 4.992 8.676 ( -3.159 0.686 1.039) 3.396 8.726 ( 1.933 1.880 2.213) 3.488 8.939 ( 0.108 -1.422 -1.056) 1.774 12.014 ( -1.194 -0.710 1.163) 1.812 12.021 ( 0.621 0.462 2.306) 2.432 12.120 ( 0.420 2.427 -1.657) 2.968 12.222 ( 0.091 -2.328 -1.772) 2.927 15.560 ( -0.167 2.532 1.045) 2.745 15.621 ( -0.273 -3.252 2.051) 3.855 15.792 ( 0.183 2.816 -1.427) 3.162 15.841 ( -0.648 -0.393 2.484) 2.597 15.917 ( 0.226 -2.080 -0.098) 2.094 15.938 ( -0.437 1.186 1.730) 2.143 16.128 ( 0.027 0.113 -2.313) 2.316 16.206 ( 1.421 -0.933 -5.097) 5.373 16.442 ( -0.278 1.335 1.573) 2.081 16.538 ( 0.530 2.307 -0.107) 2.370 16.641 ( -1.565 -0.204 2.900) 3.302 16.768 ( 1.543 -6.117 -1.019) 6.391 ======================= Grid point 64 (29/72) ======================= q-point: (-0.14 0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 5.415 19.521 1.480) 20.312 0.952 ( -2.986 16.093 7.136) 17.855 1.241 ( 0.520 -1.824 -0.882) 2.091 1.373 ( -0.608 0.223 1.768) 1.883 1.536 ( -1.382 10.436 2.811) 10.896 1.641 ( -4.932 6.349 -6.887) 10.586 1.671 ( 5.558 5.331 -2.385) 8.062 1.902 ( 0.778 5.937 8.374) 10.295 1.955 ( 0.527 4.258 -0.856) 4.375 2.062 ( -2.799 0.002 -0.568) 2.856 2.107 ( 2.333 -3.555 -1.624) 4.552 2.205 ( 0.408 0.458 3.134) 3.194 2.278 ( -4.396 -0.983 1.132) 4.645 2.418 ( 5.984 -0.916 3.594) 7.040 2.501 ( -1.764 -6.806 0.567) 7.054 2.522 ( -2.558 -3.248 -0.068) 4.135 2.552 ( -2.714 -0.297 5.157) 5.835 2.697 ( 2.872 -5.133 -1.397) 6.046 2.797 ( -0.170 -7.619 -3.110) 8.231 3.024 ( -0.020 1.943 3.094) 3.654 3.196 ( 0.944 2.093 0.673) 2.392 3.232 ( -2.353 -1.406 -1.974) 3.378 3.286 ( 1.208 -1.654 -3.488) 4.045 3.416 ( -0.875 0.280 2.736) 2.886 3.884 ( -4.954 -1.193 0.295) 5.104 3.913 ( 4.107 -2.065 2.207) 5.099 3.944 ( -0.308 1.661 1.415) 2.204 3.971 ( 0.231 -1.276 -1.677) 2.120 4.088 ( 2.116 2.287 -0.466) 3.150 4.167 ( 2.313 0.793 0.763) 2.561 4.270 ( -3.286 0.096 -0.625) 3.346 4.325 ( -0.286 2.470 2.566) 3.573 4.381 ( 0.287 -1.761 -2.432) 3.017 4.497 ( 0.752 3.608 1.428) 3.953 4.558 ( 2.291 1.445 -0.866) 2.844 4.631 ( -3.016 -4.253 -2.880) 5.957 4.802 ( -0.389 -4.551 -7.007) 8.365 4.929 ( 1.334 0.131 0.600) 1.468 5.084 ( -0.489 2.786 2.150) 3.553 5.196 ( 1.115 1.517 -1.539) 2.432 5.203 ( -2.375 -1.289 0.079) 2.703 5.435 ( -1.083 -1.110 0.032) 1.551 5.608 ( -1.038 1.256 1.246) 2.051 5.663 ( 2.736 2.020 2.673) 4.326 5.833 ( 2.691 0.817 -4.956) 5.698 6.010 ( -0.902 -1.901 -1.082) 2.366 6.035 ( -2.235 2.446 1.824) 3.783 6.193 ( 0.941 0.285 -2.880) 3.043 6.271 ( 1.248 0.777 1.735) 2.274 6.345 ( 0.692 1.737 1.729) 2.547 6.380 ( 0.334 -1.618 1.963) 2.566 6.633 ( -0.344 -5.507 -3.163) 6.360 6.970 ( -3.901 -3.309 3.846) 6.400 6.999 ( 2.829 -3.237 2.611) 5.030 7.147 ( 2.838 -3.521 -2.384) 5.112 7.210 ( -2.196 -4.920 -0.559) 5.417 7.668 ( -0.279 1.576 -6.642) 6.832 7.712 ( 1.944 0.294 -4.929) 5.307 7.814 ( -2.116 1.714 0.404) 2.753 7.926 ( 2.038 -1.303 -0.216) 2.429 8.228 ( -0.864 3.092 4.001) 5.130 8.322 ( -0.460 0.429 4.260) 4.307 8.380 ( 4.629 1.178 5.140) 7.017 8.456 ( -1.720 3.222 -0.859) 3.752 8.564 ( -4.771 2.516 1.094) 5.504 8.666 ( -3.004 -3.575 -1.780) 4.998 8.772 ( 3.551 -1.203 3.774) 5.320 8.961 ( -0.101 -1.192 -1.688) 2.069 11.978 ( -1.171 1.427 0.619) 1.947 12.061 ( 0.773 -1.373 2.040) 2.577 12.085 ( 0.697 1.332 -0.554) 1.602 12.259 ( -0.369 -1.844 -1.982) 2.732 15.496 ( -0.540 3.265 1.004) 3.458 15.687 ( 1.428 0.905 -3.884) 4.237 15.736 ( -0.272 -0.661 3.712) 3.780 15.856 ( -0.451 -1.375 2.957) 3.293 15.911 ( -1.973 -0.007 0.857) 2.151 15.953 ( 0.217 -0.709 0.597) 0.952 16.126 ( 0.097 -0.185 -2.356) 2.365 16.218 ( 1.078 0.332 -7.135) 7.223 16.420 ( 1.635 2.122 1.075) 2.886 16.489 ( -0.352 2.759 -0.577) 2.840 16.665 ( -1.651 -3.978 7.614) 8.747 16.900 ( 0.294 -6.435 -0.762) 6.487 ======================= Grid point 67 (30/72) ======================= q-point: ( 0.29 0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 6.376 0.000 21.027) 21.973 0.958 ( 11.216 0.000 10.155) 15.130 1.183 ( -2.144 -0.000 -2.052) 2.968 1.325 ( -1.208 -0.000 2.756) 3.010 1.422 ( -4.208 -0.000 5.859) 7.213 1.682 ( 18.006 0.000 8.336) 19.842 1.702 ( 13.372 0.000 -6.924) 15.058 1.822 ( 4.657 0.000 2.168) 5.137 1.847 ( -3.653 -0.000 0.680) 3.716 2.001 ( 1.528 0.000 -8.398) 8.536 2.048 ( -4.455 -0.000 -2.133) 4.939 2.261 ( -3.105 -0.000 4.520) 5.484 2.424 ( 1.033 0.000 -4.014) 4.145 2.515 ( 1.284 0.000 3.074) 3.332 2.550 ( 1.774 0.000 4.981) 5.288 2.664 ( 0.030 0.000 2.020) 2.021 2.739 ( 0.573 0.000 4.102) 4.142 2.906 ( -0.244 -0.000 -3.180) 3.189 2.943 ( 0.274 0.000 -2.301) 2.317 3.053 ( 1.982 0.000 -4.658) 5.062 3.152 ( -2.370 -0.000 -2.900) 3.745 3.246 ( -1.396 -0.000 -1.335) 1.931 3.291 ( -0.067 -0.000 1.392) 1.394 3.310 ( 1.210 0.000 -8.235) 8.324 3.629 ( -9.344 -0.000 4.146) 10.223 3.906 ( -1.733 -0.000 5.384) 5.656 3.924 ( 3.369 0.000 5.638) 6.568 4.049 ( 0.215 0.000 2.455) 2.464 4.109 ( -3.544 -0.000 -2.012) 4.075 4.116 ( -0.238 -0.000 -0.151) 0.281 4.254 ( 3.374 0.000 -1.010) 3.521 4.329 ( 3.436 0.000 -7.440) 8.195 4.348 ( 1.084 0.000 -0.300) 1.125 4.459 ( 0.896 0.000 3.954) 4.054 4.565 ( -6.713 -0.000 -4.075) 7.853 4.689 ( -3.162 -0.000 6.832) 7.528 4.720 ( -1.168 -0.000 -6.765) 6.865 4.916 ( 2.267 0.000 -9.637) 9.900 4.946 ( -1.847 -0.000 4.668) 5.021 5.247 ( 2.934 0.000 1.911) 3.501 5.304 ( 7.300 0.000 1.819) 7.523 5.507 ( 2.054 0.000 -5.177) 5.570 5.603 ( -1.123 -0.000 2.890) 3.101 5.609 ( 1.618 0.000 6.648) 6.843 5.833 ( -5.618 -0.000 -2.027) 5.973 5.974 ( -4.722 -0.000 -1.552) 4.971 5.998 ( -3.772 -0.000 -7.089) 8.030 6.039 ( 1.514 0.000 3.170) 3.513 6.099 ( -0.873 -0.000 -2.839) 2.970 6.219 ( -2.362 -0.000 0.657) 2.452 6.538 ( -1.385 -0.000 5.415) 5.589 6.771 ( -1.418 -0.000 -4.555) 4.770 6.821 ( -5.395 -0.000 1.930) 5.730 6.887 ( -5.701 -0.000 -1.541) 5.905 7.360 ( -2.687 -0.000 -0.517) 2.737 7.542 ( -0.529 -0.000 -3.116) 3.161 7.636 ( 6.460 0.000 3.887) 7.539 7.657 ( 8.347 0.000 0.816) 8.387 7.989 ( 1.235 0.000 -2.555) 2.838 8.068 ( -0.710 -0.000 2.816) 2.904 8.151 ( 2.089 0.000 1.253) 2.436 8.167 ( -2.754 -0.000 -4.478) 5.257 8.351 ( -1.354 -0.000 5.265) 5.436 8.391 ( 0.111 0.000 -2.777) 2.779 8.602 ( -2.114 -0.000 5.406) 5.805 8.647 ( 3.947 0.000 0.578) 3.989 8.853 ( 0.561 0.000 -1.151) 1.281 8.993 ( 0.597 0.000 -2.497) 2.567 11.915 ( -0.347 -0.000 0.227) 0.415 12.085 ( 1.138 0.000 -1.522) 1.901 12.147 ( 0.094 0.000 3.370) 3.371 12.244 ( -0.823 -0.000 -1.127) 1.396 15.453 ( -0.546 -0.000 -0.643) 0.843 15.458 ( 0.439 0.000 1.415) 1.482 15.779 ( -3.186 -0.000 3.873) 5.015 15.907 ( 0.371 0.000 1.720) 1.759 15.915 ( -0.267 -0.000 -0.547) 0.609 16.126 ( 2.095 0.000 -2.292) 3.106 16.167 ( 1.677 0.000 -2.642) 3.130 16.187 ( 4.921 0.000 -3.064) 5.797 16.394 ( -0.415 -0.000 -2.378) 2.414 16.447 ( 1.900 0.000 2.940) 3.501 16.674 ( -7.617 -0.000 8.487) 11.404 16.810 ( -5.679 -0.000 -0.337) 5.689 ======================= Grid point 68 (31/72) ======================= q-point: ( 0.43 0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 7.519 -7.251 11.871) 15.812 1.073 ( 2.927 -2.887 4.242) 5.907 1.168 ( 1.608 0.530 0.028) 1.693 1.320 ( -2.133 -0.635 2.352) 3.238 1.467 ( -2.231 -7.753 10.133) 12.953 1.678 ( -0.986 5.431 2.814) 6.196 1.769 ( 3.734 2.234 0.914) 4.447 1.892 ( 1.508 -1.751 -3.406) 4.116 1.916 ( 2.269 -3.285 -4.366) 5.916 2.037 ( 3.884 -1.916 -4.075) 5.947 2.106 ( 7.814 -2.466 -1.107) 8.269 2.229 ( -0.011 -0.694 2.716) 2.803 2.402 ( 1.920 2.748 -3.314) 4.714 2.504 ( -1.583 1.448 2.900) 3.607 2.557 ( -0.730 2.239 3.988) 4.631 2.638 ( -0.774 1.097 3.420) 3.674 2.739 ( 2.086 1.088 -1.519) 2.800 2.877 ( -0.713 5.697 -2.959) 6.459 2.927 ( 0.466 -0.849 0.833) 1.277 3.051 ( 3.997 -0.764 -3.106) 5.119 3.167 ( -1.889 -2.758 -3.521) 4.855 3.222 ( 0.134 0.314 0.589) 0.681 3.271 ( 0.041 1.310 -0.847) 1.560 3.330 ( -0.468 -0.713 -3.297) 3.405 3.582 ( -8.196 -2.799 4.750) 9.878 3.840 ( 0.040 3.406 3.715) 5.040 3.965 ( 0.004 2.625 2.763) 3.812 4.003 ( -5.339 2.011 1.707) 5.955 4.102 ( 0.103 -1.818 0.931) 2.045 4.140 ( -0.444 -2.276 0.464) 2.365 4.283 ( 3.051 -0.103 -1.103) 3.246 4.357 ( 4.292 0.385 -2.667) 5.068 4.407 ( 2.754 -2.302 1.151) 3.769 4.431 ( -3.584 2.433 0.466) 4.357 4.494 ( -1.682 -0.479 -2.288) 2.880 4.665 ( 0.272 0.561 2.223) 2.308 4.724 ( -3.059 -1.678 -6.486) 7.365 4.937 ( -0.185 -0.145 -0.508) 0.559 4.953 ( 1.160 -1.938 -0.479) 2.309 5.289 ( 2.938 -0.665 3.643) 4.727 5.350 ( 6.433 2.167 0.795) 6.835 5.510 ( 2.965 0.612 -5.645) 6.406 5.577 ( -1.152 0.143 3.630) 3.811 5.683 ( -1.416 -3.098 0.902) 3.524 5.769 ( -4.578 0.410 -1.914) 4.979 5.885 ( -2.098 1.842 -5.951) 6.573 5.982 ( -3.287 -0.512 -1.754) 3.761 6.062 ( 0.722 -2.557 -1.575) 3.089 6.150 ( -2.975 -4.839 3.032) 6.439 6.256 ( 0.452 -4.366 -0.214) 4.395 6.498 ( -1.828 2.849 3.314) 4.737 6.639 ( -1.444 6.208 -1.421) 6.530 6.803 ( -3.522 3.325 -0.583) 4.879 6.885 ( -2.934 -5.097 -0.604) 5.912 7.311 ( -0.007 3.230 -0.378) 3.252 7.458 ( -0.298 6.415 0.044) 6.422 7.629 ( 1.794 4.362 3.373) 5.799 7.780 ( 6.204 -2.546 -3.142) 7.406 7.950 ( 1.307 2.967 -0.937) 3.375 8.053 ( 0.601 0.856 -3.563) 3.713 8.199 ( 0.177 -3.747 -0.346) 3.767 8.206 ( -4.159 -5.201 0.988) 6.732 8.345 ( -0.697 0.142 4.436) 4.492 8.404 ( 0.252 -1.308 -1.426) 1.952 8.581 ( 0.122 1.622 5.957) 6.175 8.679 ( 3.448 0.452 1.487) 3.782 8.858 ( 0.116 -0.470 -1.367) 1.451 8.969 ( -0.026 2.510 -2.464) 3.518 11.922 ( -0.017 -0.781 0.528) 0.943 12.101 ( 0.482 -1.051 -1.845) 2.177 12.135 ( -0.230 1.441 3.046) 3.377 12.233 ( -0.197 0.619 -0.975) 1.171 15.429 ( -0.205 -0.434 1.204) 1.296 15.551 ( -0.135 -6.337 -0.674) 6.375 15.744 ( -2.360 1.373 3.174) 4.187 15.891 ( 0.539 1.368 0.165) 1.479 15.924 ( -0.272 -0.258 1.396) 1.446 16.092 ( 2.690 3.938 -0.511) 4.797 16.164 ( 1.746 0.926 -2.854) 3.472 16.235 ( 1.442 0.639 -2.943) 3.340 16.394 ( 0.291 -2.041 -0.961) 2.275 16.497 ( 0.698 -2.245 1.905) 3.026 16.616 ( -3.533 0.948 5.218) 6.373 16.752 ( -4.949 0.841 -1.001) 5.118 ======================= Grid point 69 (32/72) ======================= q-point: ( 0.57 0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -2.871 -1.902 2.553) 4.287 1.196 ( 1.304 -2.911 -1.369) 3.471 1.301 ( 4.184 -10.258 5.785) 12.498 1.318 ( 0.626 -0.524 -0.321) 0.877 1.563 ( 0.886 4.180 4.030) 5.873 1.645 ( 0.702 -3.125 1.251) 3.439 1.741 ( -6.508 -3.372 7.270) 10.323 1.932 ( -2.880 -0.627 -2.714) 4.007 1.961 ( 1.701 -3.900 0.617) 4.300 2.043 ( 1.434 -0.792 0.271) 1.661 2.200 ( 6.057 -0.833 -2.019) 6.439 2.311 ( 3.264 -1.343 -3.749) 5.149 2.367 ( 2.719 2.384 -2.743) 4.539 2.424 ( -3.309 4.413 1.084) 5.621 2.485 ( -1.798 3.899 2.837) 5.146 2.587 ( 0.361 6.112 1.575) 6.322 2.690 ( 1.693 7.501 -3.069) 8.279 2.739 ( 0.166 4.129 -4.802) 6.335 2.961 ( -1.700 -3.319 3.571) 5.163 3.159 ( -2.540 0.554 -2.649) 3.712 3.195 ( 10.004 -2.664 1.410) 10.448 3.241 ( 1.897 -0.008 -1.986) 2.746 3.254 ( -0.385 -1.301 0.878) 1.616 3.321 ( -1.074 -0.062 -1.286) 1.677 3.580 ( -5.855 -3.265 5.744) 8.828 3.816 ( -1.330 -1.589 0.060) 2.073 3.867 ( -1.563 5.261 0.590) 5.520 3.924 ( -5.082 0.078 3.024) 5.914 4.153 ( 2.235 -1.405 1.421) 2.999 4.193 ( 0.399 -2.636 2.102) 3.395 4.257 ( 0.033 3.712 -0.202) 3.718 4.366 ( 1.289 1.662 -1.849) 2.800 4.404 ( -1.730 -2.491 -0.794) 3.135 4.434 ( 2.778 -0.065 2.372) 3.654 4.543 ( -1.547 -3.497 -2.154) 4.389 4.651 ( -0.425 1.860 1.723) 2.571 4.725 ( 0.647 -0.981 -5.124) 5.257 4.928 ( -1.484 -0.029 1.870) 2.387 5.018 ( 3.100 -2.636 -0.696) 4.128 5.297 ( -0.288 2.768 4.547) 5.331 5.363 ( 5.344 1.867 -0.763) 5.712 5.506 ( -1.460 0.579 -1.174) 1.961 5.565 ( -1.413 -0.107 -2.357) 2.750 5.706 ( -3.676 1.315 -1.612) 4.223 5.736 ( 2.309 -4.260 -3.429) 5.937 5.910 ( 3.092 -1.652 -4.400) 5.625 5.963 ( -2.402 -1.935 -1.314) 3.353 6.125 ( -0.290 -3.830 -2.218) 4.435 6.214 ( -3.407 -3.780 5.965) 7.840 6.325 ( -0.314 0.069 2.182) 2.206 6.454 ( 0.102 -1.319 -1.507) 2.005 6.543 ( 0.283 2.901 -1.653) 3.351 6.725 ( -1.682 1.567 1.519) 2.755 6.934 ( -1.885 -2.737 -1.367) 3.594 7.243 ( 2.206 5.007 1.079) 5.577 7.305 ( -1.243 8.917 2.588) 9.367 7.574 ( -0.991 1.045 0.074) 1.443 7.809 ( 2.638 2.392 -6.015) 6.990 7.941 ( 3.640 0.821 -1.958) 4.214 8.026 ( -0.229 2.040 -4.547) 4.989 8.237 ( -2.166 -2.530 2.093) 3.933 8.310 ( -2.555 -6.814 -0.314) 7.284 8.345 ( -1.058 -0.889 5.130) 5.313 8.431 ( 0.729 -0.733 0.683) 1.239 8.564 ( 1.291 1.675 4.689) 5.144 8.697 ( 2.338 0.894 2.691) 3.675 8.866 ( 0.126 0.464 -2.155) 2.208 8.901 ( -0.902 2.651 -1.296) 3.086 11.945 ( 0.214 -1.429 0.940) 1.724 12.095 ( -0.729 1.846 2.004) 2.820 12.134 ( -0.187 -1.614 -1.784) 2.413 12.212 ( 0.714 1.643 -0.793) 1.959 15.463 ( 0.020 -2.804 1.896) 3.385 15.662 ( -1.192 -3.437 -2.097) 4.199 15.709 ( -0.329 -0.865 3.096) 3.232 15.872 ( 1.096 1.392 -0.359) 1.807 15.917 ( -0.805 0.850 2.239) 2.527 16.037 ( 1.001 3.780 0.545) 3.948 16.153 ( 1.046 1.114 -2.705) 3.107 16.205 ( 0.055 1.505 -2.824) 3.200 16.449 ( -0.554 -1.991 0.012) 2.067 16.542 ( 0.133 -3.156 2.870) 4.268 16.601 ( 1.427 0.371 0.202) 1.488 16.691 ( -3.613 1.109 -0.585) 3.825 ======================= Grid point 70 (33/72) ======================= q-point: (-0.29 0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -0.913 -1.794 2.665) 3.339 1.242 ( -1.070 -1.142 -1.065) 1.893 1.322 ( -0.551 -1.634 1.515) 2.296 1.465 ( 2.374 4.050 -0.554) 4.727 1.530 ( -4.821 -2.602 0.833) 5.541 1.659 ( 2.684 -7.161 2.691) 8.107 1.807 ( 1.878 -0.792 -2.772) 3.441 1.906 ( -2.191 -0.468 -1.169) 2.527 2.037 ( 0.628 -1.564 -1.285) 2.119 2.173 ( 1.227 -6.866 3.132) 7.646 2.193 ( -2.803 7.131 -0.025) 7.662 2.235 ( -0.473 1.526 -1.200) 1.999 2.351 ( 3.933 5.679 -0.967) 6.975 2.368 ( -2.547 0.773 0.945) 2.824 2.390 ( -1.572 1.244 -0.102) 2.007 2.450 ( 0.290 5.998 1.547) 6.201 2.564 ( 3.196 5.315 -2.350) 6.632 2.701 ( 0.387 0.567 -4.879) 4.927 2.965 ( -0.172 7.842 2.405) 8.205 3.098 ( -0.480 0.932 2.317) 2.544 3.161 ( 0.274 2.652 3.665) 4.532 3.240 ( -3.799 1.221 5.285) 6.622 3.309 ( 2.505 1.342 -3.798) 4.743 3.380 ( 1.608 -4.157 -1.330) 4.651 3.645 ( -2.256 -6.691 5.245) 8.796 3.833 ( 0.844 -2.476 0.153) 2.620 3.860 ( -0.130 -2.794 -1.220) 3.051 3.919 ( -2.673 -3.159 2.020) 4.605 4.158 ( 1.482 2.183 -0.739) 2.740 4.195 ( 1.020 1.365 -0.718) 1.849 4.281 ( 0.732 -3.175 3.034) 4.452 4.332 ( -1.065 1.515 -0.839) 2.033 4.429 ( -0.848 -0.591 2.258) 2.483 4.459 ( 1.450 0.197 -2.352) 2.771 4.570 ( -4.664 -3.393 -4.176) 7.121 4.616 ( 1.357 1.424 4.502) 4.913 4.737 ( 3.600 1.653 -3.756) 5.459 4.921 ( -1.555 -0.435 0.320) 1.646 5.099 ( 3.001 -2.421 0.961) 3.974 5.212 ( -2.852 3.909 3.421) 5.926 5.350 ( 1.177 3.408 -1.747) 4.007 5.451 ( -2.460 1.515 -0.398) 2.916 5.587 ( 1.585 -1.234 -2.510) 3.215 5.673 ( -0.693 -0.977 -0.955) 1.532 5.862 ( 5.662 -3.108 -4.871) 8.090 5.910 ( -2.816 -1.866 -2.675) 4.309 6.027 ( 0.878 -2.893 -1.215) 3.258 6.176 ( -1.476 -0.419 3.438) 3.765 6.220 ( -2.883 -1.236 5.194) 6.067 6.301 ( 1.875 0.622 -3.261) 3.813 6.499 ( 0.942 -0.017 -1.484) 1.757 6.526 ( -0.004 -1.034 -1.853) 2.122 6.751 ( 0.069 -5.142 2.800) 5.855 6.963 ( -0.739 -1.708 -1.355) 2.302 7.136 ( -1.877 6.483 3.024) 7.396 7.174 ( 1.974 4.192 1.928) 5.019 7.580 ( -0.155 -2.159 -2.353) 3.197 7.770 ( 1.479 2.278 -7.017) 7.524 7.950 ( -1.749 3.377 -2.603) 4.608 7.953 ( 2.373 1.388 -2.853) 3.962 8.266 ( -1.222 -1.628 1.914) 2.794 8.324 ( -1.411 0.359 4.455) 4.686 8.438 ( -0.944 -1.554 0.545) 1.898 8.444 ( 0.517 -4.183 3.043) 5.199 8.555 ( 0.874 1.076 1.679) 2.177 8.685 ( -1.236 1.962 2.653) 3.524 8.805 ( 2.426 3.883 -0.285) 4.587 8.901 ( -1.157 -1.816 -1.344) 2.538 11.980 ( 0.124 -1.778 1.432) 2.286 12.053 ( -0.629 1.951 2.015) 2.874 12.152 ( -0.519 -0.317 -2.562) 2.633 12.193 ( 1.017 0.471 -0.797) 1.375 15.535 ( 0.738 -3.958 2.251) 4.612 15.626 ( -1.227 2.686 1.086) 3.146 15.791 ( 0.396 -3.764 -0.378) 3.804 15.855 ( 0.862 1.737 -0.544) 2.014 15.894 ( -0.984 0.381 2.214) 2.453 15.974 ( -0.657 2.814 0.918) 3.032 16.135 ( 0.287 0.885 -2.478) 2.647 16.192 ( 0.277 -0.342 -3.632) 3.658 16.455 ( -0.263 -0.058 1.668) 1.689 16.592 ( 0.891 1.266 -0.159) 1.556 16.624 ( 0.048 -0.047 1.473) 1.475 16.669 ( -0.671 -4.266 -0.889) 4.409 ======================= Grid point 71 (34/72) ======================= q-point: (-0.14 0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.173 1.781 0.010) 1.790 1.209 ( 1.994 4.353 0.591) 4.824 1.303 ( 0.235 10.591 2.016) 10.784 1.359 ( -0.637 -1.422 5.383) 5.604 1.560 ( -5.039 -2.018 -2.722) 6.073 1.752 ( -3.068 6.657 -3.709) 8.215 1.801 ( 6.449 2.439 -5.431) 8.777 1.914 ( 3.547 -4.633 -0.095) 5.836 2.007 ( -1.427 0.043 -0.675) 1.579 2.081 ( -0.886 5.507 -5.533) 7.857 2.148 ( 4.344 3.958 -1.586) 6.087 2.255 ( -3.057 2.153 1.404) 3.994 2.305 ( -3.453 -4.843 1.107) 6.050 2.348 ( -0.221 3.789 3.713) 5.310 2.384 ( 0.867 -3.967 0.400) 4.080 2.446 ( -0.587 -3.087 5.246) 6.115 2.579 ( 1.855 -2.403 1.730) 3.494 2.687 ( 1.093 1.287 -2.971) 3.418 2.774 ( 6.112 8.522 4.276) 11.325 3.069 ( -0.250 1.857 2.085) 2.803 3.166 ( -3.131 0.278 3.983) 5.074 3.217 ( -1.791 -3.493 3.155) 5.036 3.289 ( 2.329 2.470 -3.520) 4.890 3.414 ( -1.914 -0.472 2.027) 2.827 3.751 ( -5.353 -6.349 2.897) 8.796 3.895 ( 0.307 -1.984 -1.433) 2.466 3.924 ( 1.813 -3.337 0.174) 3.802 3.978 ( 1.503 -2.194 -0.015) 2.659 4.134 ( -1.202 2.514 0.328) 2.806 4.176 ( 3.431 0.235 -0.996) 3.581 4.290 ( -1.442 1.461 0.003) 2.053 4.327 ( -1.300 -0.741 -0.680) 1.644 4.388 ( -1.095 2.561 3.124) 4.186 4.485 ( -1.584 -2.828 -0.852) 3.352 4.574 ( -1.324 -0.495 -4.043) 4.283 4.634 ( 3.724 1.527 3.805) 5.539 4.735 ( 2.393 -0.463 -6.212) 6.673 4.918 ( -1.191 -1.043 -0.919) 1.830 5.120 ( -1.782 1.732 2.733) 3.694 5.170 ( 0.860 -0.732 1.414) 1.809 5.262 ( -1.836 3.935 -1.459) 4.581 5.427 ( 1.290 0.604 -1.081) 1.788 5.609 ( -0.098 -0.511 -0.656) 0.837 5.709 ( 2.455 -0.780 1.627) 3.047 5.862 ( -0.116 1.036 -6.114) 6.202 5.968 ( 0.051 -1.221 -3.247) 3.470 6.037 ( -2.653 0.557 1.834) 3.273 6.189 ( 0.960 -3.020 6.948) 7.636 6.254 ( 1.491 -0.340 -2.791) 3.183 6.312 ( -2.001 -2.508 -0.374) 3.230 6.463 ( 1.352 4.283 -1.121) 4.629 6.557 ( 0.556 -2.180 -1.936) 2.968 6.868 ( -2.121 -3.397 2.567) 4.757 6.966 ( -0.346 -2.884 2.791) 4.028 7.091 ( -2.227 -2.291 -0.707) 3.272 7.154 ( 3.618 -0.065 0.705) 3.687 7.631 ( 0.908 -2.784 -4.688) 5.527 7.733 ( 0.339 1.598 -6.564) 6.764 7.852 ( -2.506 3.053 -0.859) 4.043 7.958 ( 3.463 1.225 -1.294) 3.894 8.273 ( 0.215 1.028 2.986) 3.165 8.315 ( -1.601 -0.364 4.619) 4.903 8.435 ( 1.220 0.782 4.259) 4.498 8.507 ( -0.293 1.244 -0.108) 1.283 8.558 ( -0.874 -3.277 -0.463) 3.423 8.602 ( -3.291 4.052 0.142) 5.222 8.801 ( 3.687 0.520 2.930) 4.738 8.923 ( -1.241 -1.900 -1.718) 2.847 11.993 ( -1.181 0.901 0.921) 1.748 12.041 ( 0.630 -1.101 2.552) 2.850 12.130 ( 1.068 2.020 -1.202) 2.582 12.213 ( -0.489 -1.946 -2.232) 3.002 15.556 ( -0.698 3.459 1.159) 3.714 15.631 ( 0.854 -4.653 2.021) 5.144 15.795 ( 0.412 3.696 -0.933) 3.834 15.847 ( 0.728 -0.766 2.591) 2.799 15.888 ( -2.367 -0.486 -1.091) 2.652 15.944 ( 0.029 -0.082 1.937) 1.939 16.124 ( 0.327 0.190 -2.490) 2.519 16.203 ( -0.049 -1.057 -4.522) 4.645 16.467 ( 2.059 0.224 1.346) 2.470 16.551 ( 0.765 3.442 -1.169) 3.715 16.608 ( -2.728 -0.751 3.562) 4.550 16.777 ( -0.363 -5.964 -0.690) 6.015 ======================= Grid point 75 (35/72) ======================= q-point: ( 0.43 0.43 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 7.049 0.000 11.150) 13.191 1.072 ( 0.229 0.000 2.607) 2.617 1.225 ( 5.213 0.000 1.878) 5.541 1.303 ( -0.736 -0.000 3.329) 3.409 1.311 ( -9.435 -0.000 14.129) 16.989 1.741 ( -3.499 -0.000 1.491) 3.804 1.808 ( -4.569 -0.000 -3.062) 5.500 1.904 ( 2.932 0.000 -7.822) 8.354 1.919 ( 6.740 0.000 -1.359) 6.875 2.058 ( 7.710 0.000 -5.128) 9.260 2.162 ( 10.002 0.000 1.900) 10.181 2.245 ( 1.885 0.000 3.380) 3.870 2.421 ( -0.220 -0.000 -2.225) 2.236 2.502 ( -3.508 -0.000 1.297) 3.740 2.590 ( 0.977 0.000 3.814) 3.937 2.626 ( -5.063 -0.000 5.521) 7.491 2.711 ( -3.738 -0.000 1.068) 3.887 2.902 ( 0.583 0.000 -4.200) 4.241 2.956 ( 1.036 0.000 0.349) 1.094 3.011 ( -2.432 -0.000 -9.787) 10.085 3.156 ( 3.465 0.000 0.216) 3.472 3.216 ( -0.997 -0.000 -0.875) 1.326 3.286 ( -1.135 -0.000 1.334) 1.751 3.314 ( 1.011 0.000 -5.281) 5.377 3.508 ( -4.447 -0.000 7.130) 8.403 3.887 ( -2.222 -0.000 4.177) 4.731 3.980 ( -6.508 -0.000 -4.401) 7.856 4.026 ( 4.822 0.000 5.991) 7.691 4.062 ( 0.535 0.000 4.194) 4.228 4.121 ( 0.297 0.000 3.114) 3.128 4.302 ( 0.599 0.000 -1.014) 1.178 4.383 ( 2.989 0.000 -1.287) 3.254 4.404 ( 4.499 0.000 -7.980) 9.161 4.451 ( -2.963 -0.000 -2.692) 4.003 4.472 ( -0.881 -0.000 4.237) 4.327 4.659 ( -2.432 -0.000 3.998) 4.680 4.681 ( 0.075 0.000 -6.530) 6.531 4.927 ( -1.652 -0.000 5.353) 5.602 4.965 ( 4.940 0.000 -5.849) 7.655 5.310 ( 2.403 0.000 5.002) 5.549 5.435 ( 4.686 0.000 0.046) 4.687 5.524 ( 0.769 0.000 -4.880) 4.940 5.556 ( -3.655 -0.000 0.239) 3.663 5.660 ( 1.042 0.000 -1.895) 2.163 5.725 ( -3.215 -0.000 1.448) 3.526 5.893 ( -2.799 -0.000 -2.821) 3.974 5.915 ( -1.060 -0.000 -6.696) 6.779 6.064 ( 0.052 0.000 3.985) 3.985 6.087 ( 0.196 0.000 1.274) 1.289 6.209 ( 0.234 0.000 -2.706) 2.716 6.507 ( -2.830 -0.000 3.107) 4.202 6.745 ( 0.089 0.000 -3.728) 3.729 6.759 ( -2.124 -0.000 2.489) 3.272 6.808 ( -2.256 -0.000 -1.515) 2.717 7.325 ( -0.871 -0.000 -0.510) 1.009 7.518 ( -1.013 -0.000 -2.544) 2.739 7.744 ( 3.728 0.000 3.433) 5.068 7.793 ( 5.686 0.000 0.838) 5.747 7.966 ( -3.429 -0.000 1.455) 3.725 8.006 ( -5.998 -0.000 1.025) 6.085 8.148 ( 2.692 0.000 -7.040) 7.537 8.185 ( 1.738 0.000 -2.123) 2.744 8.345 ( -0.697 -0.000 4.472) 4.526 8.387 ( -0.255 -0.000 -0.409) 0.482 8.607 ( 0.291 0.000 7.809) 7.814 8.713 ( 2.252 0.000 1.495) 2.704 8.851 ( -0.132 -0.000 -2.263) 2.267 8.993 ( 0.261 0.000 -3.159) 3.170 11.917 ( 0.351 0.000 0.821) 0.893 12.090 ( -0.062 -0.000 -2.388) 2.388 12.150 ( -0.683 -0.000 2.772) 2.855 12.238 ( 0.399 0.000 -0.191) 0.442 15.451 ( 0.373 0.000 0.217) 0.432 15.464 ( -0.288 -0.000 1.155) 1.190 15.742 ( -1.749 -0.000 3.100) 3.560 15.910 ( -0.087 -0.000 -0.604) 0.610 15.919 ( 0.210 0.000 2.200) 2.210 16.149 ( 0.968 0.000 -2.521) 2.700 16.189 ( 1.410 0.000 -2.729) 3.071 16.259 ( 3.550 0.000 -1.343) 3.796 16.384 ( 0.196 0.000 -1.784) 1.795 16.470 ( -0.912 -0.000 2.654) 2.807 16.587 ( -4.354 -0.000 5.323) 6.877 16.727 ( -2.005 -0.000 -1.565) 2.544 ======================= Grid point 76 (36/72) ======================= q-point: (-0.43 -0.57 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -2.477 -0.206 1.920) 3.140 1.169 ( 4.089 -4.022 -1.108) 5.842 1.209 ( -0.981 -0.372 7.539) 7.612 1.322 ( 2.030 -0.841 3.277) 3.945 1.423 ( -7.136 -10.899 15.270) 20.072 1.649 ( -2.256 3.778 4.198) 6.082 1.740 ( -1.874 2.649 -3.159) 4.529 1.909 ( -1.022 -0.288 -7.919) 7.990 1.955 ( 3.688 0.044 -0.525) 3.726 2.094 ( 2.146 2.738 1.084) 3.644 2.258 ( 2.066 -2.785 -0.705) 3.539 2.260 ( 3.689 -0.260 -1.584) 4.023 2.415 ( -1.017 1.727 -2.170) 2.954 2.452 ( -2.018 0.757 -0.241) 2.169 2.540 ( -0.901 2.560 1.669) 3.186 2.617 ( -2.618 -0.664 6.353) 6.903 2.755 ( -0.072 -2.473 -1.668) 2.984 2.861 ( -0.062 6.201 -2.853) 6.826 2.923 ( -0.374 0.640 -0.420) 0.852 3.025 ( -2.707 -4.714 -7.047) 8.900 3.192 ( 1.625 -1.246 0.612) 2.137 3.258 ( 3.887 -3.141 -1.407) 5.191 3.285 ( 1.842 -0.269 0.451) 1.915 3.301 ( -1.572 1.443 -2.802) 3.522 3.500 ( -1.441 -1.130 8.040) 8.246 3.822 ( -3.358 3.090 0.848) 4.642 3.905 ( -3.158 1.434 0.520) 3.507 4.006 ( 2.380 6.523 1.806) 7.174 4.120 ( 1.025 -3.485 5.323) 6.444 4.152 ( 1.016 -2.065 2.640) 3.502 4.313 ( -4.674 -1.561 -3.644) 6.129 4.346 ( 2.354 4.225 -1.986) 5.229 4.430 ( 1.979 0.857 -0.626) 2.245 4.452 ( 1.641 -1.299 2.436) 3.212 4.484 ( -0.368 -1.031 -1.934) 2.222 4.671 ( -0.164 -2.977 -3.678) 4.735 4.683 ( 1.444 0.231 0.686) 1.615 4.915 ( -2.151 0.191 2.747) 3.494 5.015 ( 4.771 -1.153 -2.473) 5.496 5.335 ( -0.227 0.752 5.739) 5.792 5.425 ( -1.293 1.559 -1.288) 2.400 5.487 ( -2.489 1.012 -0.511) 2.736 5.560 ( 1.725 -0.403 -2.775) 3.292 5.649 ( -4.117 -0.704 -5.819) 7.163 5.739 ( 4.966 -0.970 -0.070) 5.060 5.898 ( 0.373 -2.468 -0.664) 2.583 5.918 ( 1.165 -0.285 -5.214) 5.350 6.068 ( -0.206 -1.196 0.402) 1.279 6.132 ( 0.178 -3.091 3.556) 4.715 6.256 ( -0.434 -4.625 -1.400) 4.852 6.466 ( -2.017 1.814 1.612) 3.155 6.634 ( 1.043 5.568 -0.180) 5.668 6.762 ( -0.604 2.726 -0.404) 2.821 6.851 ( -0.470 -4.557 -1.131) 4.719 7.317 ( 0.929 0.966 0.013) 1.341 7.441 ( -1.215 6.047 -0.843) 6.225 7.649 ( -1.127 7.034 3.369) 7.880 7.866 ( 3.164 1.623 -3.790) 5.197 7.945 ( -1.281 -2.368 -0.372) 2.718 8.018 ( -3.510 -3.176 -1.468) 4.957 8.165 ( 1.553 -1.121 -3.501) 3.990 8.208 ( 0.262 -1.790 0.201) 1.820 8.339 ( -1.307 0.259 4.437) 4.633 8.413 ( 1.006 -2.034 0.108) 2.272 8.610 ( 0.512 1.270 7.331) 7.458 8.729 ( 0.929 0.131 2.531) 2.700 8.848 ( -0.615 -0.387 -2.562) 2.663 8.962 ( 0.288 2.843 -3.083) 4.204 11.930 ( 0.587 -0.716 1.144) 1.472 12.092 ( -0.691 -0.755 -2.648) 2.839 12.133 ( -0.910 1.209 2.390) 2.829 12.240 ( 0.966 0.542 -0.071) 1.111 15.435 ( 0.310 -0.447 1.770) 1.852 15.546 ( -0.142 -5.866 -0.846) 5.929 15.724 ( -0.749 1.026 3.066) 3.319 15.901 ( 0.506 0.766 -0.481) 1.036 15.923 ( -0.473 0.196 2.193) 2.252 16.116 ( 0.162 3.456 -1.252) 3.679 16.184 ( 1.026 1.203 -2.646) 3.083 16.244 ( 0.285 2.994 -2.821) 4.123 16.411 ( 1.411 -2.049 1.210) 2.767 16.489 ( -1.643 -2.584 2.071) 3.697 16.577 ( -2.516 -1.785 1.914) 3.630 16.706 ( 0.969 1.485 -0.952) 2.013 ======================= Grid point 77 (37/72) ======================= q-point: (-0.29 -0.57 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.806 -3.581 1.686) 4.351 1.180 ( -3.428 -1.299 0.674) 3.728 1.256 ( -5.333 -3.483 -1.608) 6.569 1.392 ( -0.009 -3.277 0.522) 3.318 1.494 ( 0.202 -3.830 7.335) 8.277 1.636 ( -4.153 0.738 2.630) 4.970 1.770 ( 2.892 -6.793 7.248) 10.347 1.877 ( 0.131 1.487 -4.705) 4.936 2.001 ( 1.413 -2.369 1.532) 3.155 2.081 ( 1.351 -1.110 0.460) 1.808 2.266 ( -0.157 2.184 -1.592) 2.707 2.300 ( -1.179 1.382 -0.796) 1.984 2.319 ( -5.928 0.960 -2.395) 6.465 2.439 ( 2.605 2.795 0.602) 3.867 2.482 ( 1.061 4.756 -0.071) 4.874 2.577 ( -1.115 3.735 1.094) 4.049 2.710 ( 0.558 7.352 -2.453) 7.770 2.729 ( 0.269 3.339 -3.859) 5.110 2.955 ( -0.355 -3.024 3.294) 4.486 3.084 ( -4.568 -5.049 -3.458) 7.637 3.208 ( -5.939 0.197 0.521) 5.965 3.250 ( 0.464 0.486 0.761) 1.015 3.291 ( 1.467 1.308 -1.767) 2.643 3.369 ( 4.355 -1.684 -0.569) 4.704 3.553 ( 2.571 -2.305 6.252) 7.143 3.779 ( -1.028 -1.686 1.343) 2.388 3.860 ( -0.988 0.840 -0.564) 1.414 3.921 ( 4.334 3.876 1.386) 5.977 4.185 ( 0.220 -0.534 1.505) 1.612 4.205 ( -1.390 -3.018 3.848) 5.084 4.243 ( -0.338 1.551 -1.134) 1.951 4.328 ( -1.062 0.242 -2.255) 2.505 4.425 ( -0.061 1.224 2.018) 2.361 4.477 ( -3.366 -2.171 -2.659) 4.808 4.505 ( 4.351 0.254 -0.299) 4.368 4.669 ( 2.699 1.826 2.176) 3.918 4.753 ( 1.984 -2.668 -1.764) 3.764 4.896 ( -2.118 -0.185 -0.973) 2.338 5.086 ( 3.566 -2.113 0.544) 4.181 5.261 ( -4.184 4.022 3.906) 6.996 5.360 ( -6.222 1.190 -1.549) 6.522 5.482 ( 2.703 1.003 0.286) 2.898 5.590 ( 2.126 0.133 -2.695) 3.435 5.617 ( -2.255 -2.509 -4.176) 5.369 5.833 ( 3.267 -2.901 -1.479) 4.613 5.893 ( 1.498 0.176 -4.648) 4.887 5.993 ( 3.588 -2.775 -1.074) 4.662 6.111 ( -0.690 -3.719 -1.542) 4.085 6.183 ( -1.680 -1.123 5.927) 6.262 6.323 ( -0.213 -1.401 0.586) 1.533 6.446 ( -0.454 -2.450 -1.733) 3.035 6.566 ( 2.307 3.497 -0.606) 4.233 6.722 ( 0.789 0.816 2.192) 2.469 6.916 ( 0.599 -2.730 -2.102) 3.498 7.259 ( -1.712 7.483 2.240) 7.997 7.306 ( 1.260 5.958 1.727) 6.330 7.560 ( -0.245 0.741 -0.714) 1.058 7.815 ( -0.286 2.733 -5.255) 5.930 7.980 ( 0.010 1.227 -4.798) 4.952 7.986 ( -1.575 0.957 -1.962) 2.692 8.213 ( -0.190 -2.799 1.269) 3.079 8.281 ( -1.078 -5.229 0.080) 5.340 8.332 ( -1.567 -0.886 4.109) 4.486 8.463 ( 2.310 -1.206 2.188) 3.403 8.589 ( -0.345 1.866 5.151) 5.490 8.722 ( -0.385 1.685 3.070) 3.523 8.850 ( -1.822 -1.465 -2.460) 3.394 8.900 ( 1.809 3.696 -1.835) 4.505 11.956 ( 0.637 -1.261 1.495) 2.057 12.081 ( -1.089 1.233 0.745) 1.806 12.118 ( -0.859 -0.970 -1.493) 1.977 12.231 ( 1.249 1.479 -0.366) 1.971 15.477 ( 0.675 -2.986 2.470) 3.934 15.639 ( -0.247 -2.214 -1.979) 2.980 15.719 ( 0.340 -1.979 2.594) 3.281 15.891 ( 1.058 1.031 -0.825) 1.692 15.906 ( -1.060 1.152 2.715) 3.134 16.029 ( -1.816 4.143 0.161) 4.527 16.158 ( 0.241 1.486 -2.385) 2.821 16.197 ( 0.160 1.315 -3.198) 3.462 16.442 ( -0.501 -0.955 1.161) 1.584 16.557 ( 0.413 -3.642 3.400) 5.000 16.594 ( -1.869 -2.274 -1.683) 3.391 16.686 ( 3.284 2.646 -0.180) 4.221 ======================= Grid point 78 (38/72) ======================= q-point: (-0.14 -0.57 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.133 -1.797 1.383) 2.271 1.217 ( -0.930 -4.652 -1.799) 5.074 1.308 ( -2.247 -5.443 1.964) 6.207 1.401 ( -4.756 -0.570 0.793) 4.855 1.511 ( 1.823 3.583 -0.985) 4.139 1.717 ( 1.763 -7.224 1.852) 7.663 1.854 ( -2.138 -1.591 -2.158) 3.429 1.882 ( 4.608 0.244 0.230) 4.620 2.062 ( 2.638 1.110 -0.449) 2.897 2.132 ( -2.877 4.397 -1.165) 5.382 2.158 ( -5.036 -5.642 1.260) 7.667 2.209 ( 0.488 2.053 -5.339) 5.741 2.289 ( -4.426 -0.340 3.062) 5.393 2.349 ( -1.113 7.429 0.381) 7.522 2.425 ( 2.050 3.346 1.985) 4.398 2.495 ( 1.736 3.726 3.798) 5.596 2.617 ( 1.791 3.173 -1.330) 3.879 2.689 ( 0.290 0.519 -5.559) 5.591 2.995 ( 0.282 0.269 1.806) 1.848 3.096 ( 0.530 1.749 -0.506) 1.896 3.161 ( -1.954 -0.587 1.762) 2.696 3.203 ( -1.683 4.454 5.030) 6.926 3.270 ( -2.502 -1.622 -1.638) 3.402 3.398 ( -0.624 0.107 2.041) 2.137 3.617 ( -0.472 -2.654 5.010) 5.689 3.858 ( 2.795 -3.968 -0.820) 4.922 3.874 ( 0.543 -1.354 -1.701) 2.241 3.949 ( 4.023 -1.934 1.432) 4.688 4.168 ( -0.517 0.972 -0.440) 1.186 4.228 ( 1.925 2.070 0.032) 2.827 4.235 ( -4.504 -2.521 1.722) 5.441 4.327 ( 0.340 -0.477 0.009) 0.586 4.391 ( -3.543 0.828 2.603) 4.474 4.501 ( 2.504 2.154 -0.202) 3.309 4.516 ( 1.074 -3.167 -5.395) 6.347 4.687 ( 3.390 0.475 4.971) 6.036 4.779 ( 1.546 1.522 -3.448) 4.074 4.880 ( -1.961 -0.793 -3.027) 3.693 5.137 ( 0.098 0.509 2.298) 2.356 5.176 ( -0.978 0.964 2.630) 2.967 5.275 ( -5.650 1.351 -0.283) 5.816 5.475 ( 2.910 1.872 -2.363) 4.190 5.591 ( -0.616 -0.899 -1.739) 2.052 5.684 ( 1.660 -3.175 -0.313) 3.596 5.839 ( -2.859 -0.321 -4.724) 5.531 5.962 ( 5.340 -1.414 -4.417) 7.073 6.052 ( 2.227 0.050 0.196) 2.236 6.150 ( -2.670 0.360 5.721) 6.324 6.189 ( -1.491 -5.112 1.620) 5.566 6.321 ( 1.175 2.013 -2.614) 3.503 6.511 ( -0.276 -3.326 -1.047) 3.498 6.529 ( 1.358 2.065 -1.837) 3.080 6.783 ( 2.421 -5.002 3.886) 6.781 6.951 ( -0.212 0.164 -1.662) 1.684 7.088 ( -2.804 5.679 1.852) 6.598 7.226 ( 1.602 3.951 2.561) 4.974 7.594 ( 2.653 -2.182 -4.246) 5.462 7.757 ( -0.922 2.060 -5.449) 5.898 7.883 ( -2.896 3.332 -1.554) 4.680 7.995 ( 1.391 0.061 -2.802) 3.129 8.262 ( 0.029 -2.130 2.524) 3.303 8.307 ( -1.352 -0.078 4.066) 4.285 8.392 ( -2.110 -4.634 -1.375) 5.274 8.506 ( 3.134 -0.302 4.573) 5.552 8.551 ( -1.523 1.565 1.423) 2.607 8.665 ( -1.039 3.765 2.379) 4.573 8.850 ( -1.387 -0.356 -1.125) 1.821 8.878 ( 1.955 0.323 -0.464) 2.036 11.987 ( 0.252 -0.935 1.762) 2.011 12.046 ( -0.721 1.136 1.685) 2.156 12.136 ( -0.454 -1.661 -2.400) 2.954 12.208 ( 0.906 1.761 -0.968) 2.204 15.557 ( 0.465 -4.091 2.403) 4.767 15.615 ( -0.030 2.818 0.745) 2.915 15.799 ( 0.464 -4.029 -0.682) 4.112 15.867 ( 0.708 2.393 0.179) 2.502 15.876 ( -1.412 1.152 1.249) 2.209 15.957 ( -1.204 1.536 1.676) 2.572 16.134 ( 0.394 0.875 -2.522) 2.699 16.184 ( 0.107 -0.076 -3.243) 3.246 16.464 ( 0.342 -1.521 1.326) 2.046 16.570 ( -2.270 -0.054 -0.466) 2.318 16.635 ( 0.675 1.394 1.881) 2.437 16.688 ( 2.239 -2.205 -0.940) 3.281 ======================= Grid point 83 (39/72) ======================= q-point: (-0.43 -0.43 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -1.925 -0.000 2.545) 3.192 1.114 ( -6.792 -0.000 3.501) 7.642 1.236 ( 1.712 0.000 16.477) 16.565 1.268 ( -2.252 -0.000 3.517) 4.176 1.338 ( 2.539 0.000 8.245) 8.627 1.716 ( 1.849 0.000 0.891) 2.052 1.717 ( -4.580 -0.000 -5.950) 7.508 1.863 ( -3.170 -0.000 -8.149) 8.744 1.977 ( -2.575 -0.000 2.201) 3.388 2.115 ( -11.777 -0.000 -1.333) 11.852 2.151 ( 2.112 0.000 0.594) 2.194 2.348 ( 2.067 0.000 3.430) 4.005 2.402 ( -3.179 -0.000 -2.803) 4.238 2.451 ( 3.387 0.000 -2.466) 4.189 2.555 ( -1.814 -0.000 3.399) 3.853 2.628 ( 1.050 0.000 4.955) 5.065 2.648 ( -2.159 -0.000 -0.703) 2.271 2.905 ( 0.949 0.000 -2.982) 3.129 2.969 ( 0.273 0.000 0.016) 0.274 2.979 ( 1.097 0.000 -7.606) 7.685 3.215 ( 1.318 0.000 -1.535) 2.024 3.239 ( 3.483 0.000 -0.686) 3.550 3.274 ( 1.039 0.000 2.587) 2.787 3.311 ( 0.167 0.000 -4.797) 4.800 3.513 ( 2.340 0.000 7.407) 7.768 3.845 ( -3.102 -0.000 3.150) 4.421 3.863 ( -4.244 -0.000 -2.403) 4.877 4.088 ( 0.594 0.000 4.069) 4.112 4.124 ( 2.398 0.000 2.195) 3.251 4.146 ( 1.276 0.000 5.511) 5.657 4.245 ( -3.621 -0.000 -3.944) 5.354 4.428 ( -0.288 -0.000 -4.881) 4.890 4.432 ( -0.386 -0.000 1.420) 1.471 4.457 ( 4.226 0.000 -3.976) 5.802 4.463 ( 0.511 0.000 2.793) 2.840 4.614 ( -1.987 -0.000 0.391) 2.025 4.718 ( 4.914 0.000 -3.954) 6.307 4.898 ( -3.601 -0.000 4.055) 5.423 5.047 ( 4.727 0.000 -3.306) 5.769 5.352 ( -0.144 -0.000 6.449) 6.450 5.395 ( -4.860 -0.000 -0.773) 4.921 5.487 ( -2.843 -0.000 -1.765) 3.346 5.571 ( 2.612 0.000 0.775) 2.725 5.609 ( -1.722 -0.000 -5.186) 5.465 5.752 ( 1.424 0.000 -4.031) 4.275 5.889 ( 3.407 0.000 2.758) 4.383 5.927 ( 2.822 0.000 -5.977) 6.610 6.069 ( -0.043 -0.000 1.822) 1.823 6.123 ( 3.404 0.000 2.339) 4.130 6.194 ( -0.707 -0.000 -3.538) 3.608 6.466 ( -2.227 -0.000 2.061) 3.034 6.752 ( 0.835 0.000 2.107) 2.266 6.755 ( 2.054 0.000 -2.744) 3.428 6.798 ( 1.427 0.000 -1.464) 2.044 7.325 ( 0.945 0.000 -0.428) 1.038 7.489 ( -1.520 -0.000 -2.578) 2.993 7.764 ( -3.131 -0.000 2.355) 3.918 7.809 ( -6.688 -0.000 2.538) 7.153 7.931 ( 0.827 0.000 -3.205) 3.310 7.932 ( 0.975 0.000 0.449) 1.074 8.194 ( -0.688 -0.000 -0.595) 0.909 8.198 ( 3.780 0.000 -4.816) 6.122 8.355 ( 0.427 0.000 5.240) 5.258 8.386 ( 0.647 0.000 -0.540) 0.842 8.639 ( 0.384 0.000 8.139) 8.148 8.727 ( -1.401 -0.000 2.321) 2.711 8.839 ( -0.290 -0.000 -2.858) 2.873 8.987 ( 0.279 0.000 -3.711) 3.721 11.931 ( 0.814 0.000 1.437) 1.652 12.073 ( -0.757 -0.000 -2.972) 3.067 12.138 ( -1.359 -0.000 2.226) 2.608 12.254 ( 1.167 0.000 0.354) 1.219 15.454 ( -0.920 -0.000 0.612) 1.105 15.467 ( 1.119 0.000 0.928) 1.454 15.734 ( -0.122 -0.000 3.225) 3.227 15.908 ( 0.024 0.000 -0.992) 0.992 15.926 ( -0.232 -0.000 2.398) 2.409 16.147 ( -0.250 -0.000 -2.435) 2.448 16.199 ( 0.191 0.000 -2.299) 2.307 16.291 ( 0.318 0.000 -5.057) 5.067 16.417 ( 3.537 0.000 4.811) 5.971 16.426 ( -3.574 -0.000 0.482) 3.606 16.534 ( -2.825 -0.000 3.060) 4.165 16.741 ( 3.342 0.000 -0.623) 3.400 ======================= Grid point 84 (40/72) ======================= q-point: (-0.29 -0.43 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -9.878 0.274 5.984) 11.552 1.125 ( -10.671 -3.532 2.887) 11.605 1.182 ( -0.751 3.004 2.379) 3.905 1.360 ( 0.868 -3.878 4.838) 6.261 1.404 ( 3.238 -3.816 10.752) 11.860 1.623 ( -2.726 0.117 -0.086) 2.729 1.717 ( -2.369 1.071 -1.048) 2.803 1.873 ( 0.905 -3.606 -4.204) 5.612 1.971 ( -3.464 -2.682 2.436) 5.012 2.072 ( -4.633 -2.069 -2.187) 5.525 2.164 ( -3.949 -2.939 0.937) 5.011 2.293 ( -5.872 1.580 1.443) 6.249 2.372 ( 3.133 4.198 -1.371) 5.415 2.470 ( -0.247 0.183 -1.539) 1.569 2.555 ( 1.435 -0.215 -0.171) 1.461 2.593 ( -0.766 1.669 5.486) 5.785 2.726 ( -2.313 -3.291 -0.286) 4.033 2.859 ( 0.623 7.789 -3.431) 8.534 2.926 ( 1.063 -0.044 -0.478) 1.166 2.979 ( -0.703 0.285 -4.286) 4.353 3.194 ( -1.416 1.993 -0.277) 2.461 3.271 ( 1.470 0.021 -5.502) 5.695 3.286 ( 0.112 -0.717 0.769) 1.057 3.356 ( 2.858 -2.836 1.080) 4.169 3.581 ( 7.052 -2.146 5.658) 9.292 3.769 ( -1.469 1.634 2.271) 3.160 3.872 ( -0.691 -0.218 -0.249) 0.767 4.043 ( 1.217 4.126 -0.493) 4.330 4.139 ( -3.440 -1.417 0.853) 3.817 4.166 ( 0.323 -0.825 4.167) 4.260 4.255 ( 1.289 -1.064 -0.245) 1.689 4.366 ( 0.349 3.557 -1.096) 3.739 4.411 ( -4.038 -0.365 -1.817) 4.443 4.444 ( -1.435 0.946 1.304) 2.157 4.535 ( 5.426 -2.075 -1.302) 5.953 4.680 ( 1.636 -4.856 -2.863) 5.870 4.742 ( 4.083 1.595 0.945) 4.485 4.865 ( -3.666 -0.348 -0.157) 3.686 5.088 ( 3.037 -0.959 -1.753) 3.636 5.293 ( -3.984 3.320 4.393) 6.796 5.344 ( -4.182 2.527 -0.940) 4.976 5.493 ( 1.215 -2.194 3.131) 4.011 5.570 ( -2.037 1.278 -6.137) 6.591 5.609 ( 1.970 -0.972 0.125) 2.200 5.785 ( -0.177 -2.748 -3.741) 4.645 5.922 ( 4.140 0.104 -2.035) 4.614 5.977 ( 3.210 -2.419 0.093) 4.020 6.068 ( 1.128 -0.362 -1.575) 1.971 6.180 ( 3.866 -0.630 2.636) 4.721 6.233 ( -1.462 -4.948 -1.592) 5.399 6.440 ( -1.230 1.005 1.419) 2.130 6.675 ( 3.348 5.014 0.447) 6.046 6.778 ( 2.187 2.905 -0.018) 3.636 6.864 ( 2.483 -3.986 -1.710) 4.997 7.343 ( 1.320 0.685 1.034) 1.812 7.409 ( -1.911 5.269 -1.627) 5.837 7.604 ( -3.943 5.395 1.574) 6.865 7.824 ( -5.590 -1.114 -1.547) 5.906 7.938 ( 0.910 -1.839 -3.234) 3.830 7.978 ( -0.499 -0.852 -1.485) 1.784 8.189 ( -0.171 -1.028 -1.968) 2.227 8.221 ( 1.965 -0.409 0.519) 2.073 8.331 ( -0.611 1.506 4.591) 4.870 8.447 ( 2.236 -2.859 1.122) 3.799 8.631 ( -0.207 1.889 6.207) 6.492 8.724 ( -2.312 -0.879 3.754) 4.496 8.824 ( -1.002 0.637 -3.174) 3.389 8.964 ( 0.799 2.027 -3.125) 3.810 11.948 ( 0.873 -0.650 1.646) 1.973 12.069 ( -0.793 -0.639 -2.827) 3.005 12.116 ( -1.466 1.035 1.954) 2.653 12.261 ( 1.224 0.551 0.020) 1.343 15.445 ( 0.075 -1.061 1.708) 2.012 15.549 ( 0.887 -5.516 -0.920) 5.662 15.730 ( 0.319 0.939 3.346) 3.489 15.907 ( 0.496 0.051 -1.101) 1.208 15.919 ( -0.658 0.702 2.545) 2.721 16.094 ( -1.993 4.415 -1.122) 4.972 16.180 ( -0.770 1.176 -1.875) 2.344 16.234 ( -0.083 2.724 -4.618) 5.362 16.416 ( -1.666 -1.273 -0.214) 2.108 16.504 ( 2.436 -3.241 5.866) 7.131 16.536 ( -1.358 -1.938 0.707) 2.470 16.764 ( 4.719 1.450 -0.150) 4.939 ======================= Grid point 85 (41/72) ======================= q-point: (-0.14 -0.43 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -10.243 -11.461 0.281) 15.374 1.126 ( -2.487 -4.548 3.439) 6.220 1.177 ( -1.287 -1.612 0.120) 2.066 1.389 ( -0.213 0.801 2.825) 2.944 1.571 ( 3.189 -8.308 3.078) 9.416 1.591 ( -0.370 1.367 -2.494) 2.868 1.749 ( -3.620 -5.664 4.287) 7.973 1.946 ( 5.365 0.153 -1.535) 5.583 2.004 ( -1.780 -3.623 2.522) 4.760 2.067 ( -3.393 -1.379 -1.918) 4.134 2.180 ( -5.232 -1.609 -1.796) 5.761 2.223 ( -3.097 1.154 0.518) 3.345 2.308 ( 0.378 4.139 0.431) 4.179 2.444 ( -2.950 0.599 2.834) 4.134 2.501 ( 0.531 7.405 0.675) 7.455 2.572 ( 0.166 0.942 1.345) 1.651 2.690 ( -1.347 6.171 -4.261) 7.620 2.718 ( -1.604 1.127 -0.250) 1.976 2.909 ( -6.365 0.914 0.601) 6.458 3.003 ( -0.900 -4.842 1.180) 5.064 3.142 ( -0.380 0.595 -1.792) 1.926 3.263 ( 1.124 1.725 -2.525) 3.258 3.327 ( 2.164 -0.170 0.204) 2.180 3.378 ( -2.067 0.441 3.334) 3.947 3.674 ( 6.750 2.444 3.600) 8.031 3.813 ( 4.154 -4.081 1.620) 6.044 3.877 ( 3.043 -0.614 -1.227) 3.338 3.997 ( 2.382 2.700 0.125) 3.602 4.124 ( -4.925 -1.919 -1.432) 5.476 4.179 ( -1.970 -0.822 3.396) 4.011 4.281 ( 2.793 0.924 0.977) 3.100 4.329 ( 1.488 0.931 -0.987) 2.014 4.376 ( -3.858 0.347 2.009) 4.364 4.440 ( -1.191 -2.846 -3.219) 4.459 4.590 ( 4.647 2.041 -0.741) 5.129 4.713 ( -1.392 -0.199 -1.783) 2.271 4.790 ( 2.743 -1.159 5.043) 5.856 4.852 ( -0.269 -0.723 -6.704) 6.748 5.132 ( 0.654 -1.831 0.528) 2.014 5.209 ( -2.143 3.617 4.097) 5.870 5.247 ( -4.261 1.867 -0.720) 4.708 5.517 ( -0.751 1.279 -4.161) 4.417 5.555 ( 0.655 -1.909 1.037) 2.269 5.648 ( 1.082 -1.971 -0.117) 2.251 5.805 ( -0.794 -0.814 -5.169) 5.292 5.982 ( 4.336 -1.737 -3.339) 5.742 6.048 ( 1.717 -2.521 2.674) 4.057 6.106 ( 1.835 -2.148 -2.199) 3.580 6.184 ( 0.259 2.805 3.773) 4.709 6.323 ( 0.242 -3.799 -0.368) 3.824 6.427 ( -1.344 -1.753 -0.728) 2.326 6.614 ( 2.622 4.986 -0.749) 5.683 6.769 ( 3.710 -0.178 3.007) 4.779 6.946 ( 3.270 -1.670 -2.444) 4.411 7.213 ( -3.599 8.690 2.194) 9.658 7.321 ( -1.079 5.024 1.760) 5.431 7.577 ( 3.042 -2.258 -3.261) 4.999 7.774 ( -2.393 1.738 -4.317) 5.233 7.915 ( -3.245 2.651 -0.240) 4.198 7.974 ( -1.196 -1.182 -4.580) 4.879 8.228 ( 0.865 -2.069 0.189) 2.251 8.268 ( -0.374 -3.206 2.639) 4.169 8.320 ( -0.728 -0.756 3.556) 3.707 8.510 ( 0.853 -1.764 1.495) 2.465 8.596 ( 0.995 2.566 4.491) 5.267 8.711 ( -1.969 1.097 4.431) 4.971 8.793 ( -3.055 -0.294 -3.662) 4.778 8.935 ( 1.976 1.849 -1.394) 3.044 11.975 ( 0.762 -1.092 1.886) 2.309 12.062 ( -1.011 0.839 0.271) 1.342 12.097 ( -0.906 -0.885 -1.150) 1.711 12.251 ( 1.030 1.616 -0.687) 2.035 15.494 ( 0.268 -3.257 1.959) 3.810 15.646 ( 1.327 -1.571 -1.654) 2.639 15.731 ( 0.146 -1.838 2.136) 2.822 15.892 ( -1.283 1.584 2.573) 3.282 15.908 ( 1.184 0.813 -0.848) 1.668 15.984 ( -2.795 3.266 1.086) 4.433 16.150 ( -0.405 0.937 -2.045) 2.286 16.197 ( 0.929 1.268 -3.927) 4.230 16.432 ( -0.918 -1.702 -0.014) 1.933 16.537 ( -2.193 -1.224 0.130) 2.515 16.603 ( 1.764 -2.636 4.060) 5.152 16.766 ( 4.976 3.319 -0.606) 6.012 ======================= Grid point 91 (42/72) ======================= q-point: (-0.29 -0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -14.263 -0.000 8.514) 16.611 0.946 ( -12.953 -0.000 16.335) 20.847 1.234 ( -0.191 -0.000 1.152) 1.168 1.347 ( 5.662 0.000 3.611) 6.716 1.421 ( 0.233 0.000 3.763) 3.770 1.453 ( -22.091 -0.000 5.487) 22.762 1.721 ( -6.097 -0.000 -4.846) 7.788 1.804 ( -6.962 -0.000 3.485) 7.786 1.862 ( 8.658 0.000 0.928) 8.707 2.079 ( 4.271 0.000 -1.756) 4.618 2.098 ( -6.828 -0.000 -4.579) 8.221 2.278 ( -3.829 -0.000 3.999) 5.536 2.432 ( 0.596 0.000 -0.647) 0.880 2.480 ( 0.274 0.000 -1.131) 1.164 2.556 ( 0.701 0.000 2.706) 2.795 2.644 ( -0.991 -0.000 1.099) 1.479 2.646 ( 1.222 0.000 1.234) 1.737 2.922 ( 1.637 0.000 -1.864) 2.481 2.971 ( 0.335 0.000 -1.431) 1.470 2.983 ( 1.029 0.000 -4.920) 5.026 3.246 ( -1.051 -0.000 0.370) 1.114 3.250 ( 2.255 0.000 -0.560) 2.323 3.298 ( 0.852 0.000 -8.525) 8.568 3.336 ( 2.294 0.000 -0.100) 2.296 3.622 ( 7.019 0.000 7.046) 9.946 3.814 ( -0.955 -0.000 -0.231) 0.982 3.814 ( -0.217 -0.000 2.478) 2.488 4.080 ( -4.451 -0.000 -4.196) 6.117 4.103 ( -0.003 -0.000 2.825) 2.825 4.190 ( 0.558 0.000 8.891) 8.909 4.211 ( -0.573 -0.000 -2.785) 2.843 4.381 ( -3.352 -0.000 -0.144) 3.355 4.422 ( 1.152 0.000 -2.985) 3.199 4.430 ( -5.184 -0.000 1.197) 5.320 4.539 ( 5.668 0.000 -4.765) 7.405 4.654 ( 4.716 0.000 -4.160) 6.289 4.798 ( 3.948 0.000 -2.910) 4.905 4.821 ( -4.531 -0.000 6.190) 7.672 5.092 ( 0.460 0.000 -3.915) 3.942 5.326 ( -2.539 -0.000 3.392) 4.236 5.335 ( -1.734 -0.000 0.755) 1.891 5.479 ( 1.247 0.000 2.073) 2.419 5.566 ( -1.998 -0.000 -2.389) 3.114 5.604 ( 0.324 0.000 3.585) 3.599 5.751 ( 0.861 0.000 -3.762) 3.860 5.957 ( 2.582 0.000 -4.454) 5.148 5.977 ( 2.652 0.000 4.314) 5.063 6.090 ( 2.899 0.000 -1.606) 3.314 6.147 ( -1.086 -0.000 -4.839) 4.959 6.239 ( 5.582 0.000 1.658) 5.823 6.441 ( -1.177 -0.000 2.947) 3.173 6.804 ( 3.278 0.000 -2.525) 4.138 6.812 ( 5.246 0.000 1.513) 5.460 6.840 ( 3.690 0.000 -1.596) 4.020 7.349 ( 1.386 0.000 -0.821) 1.610 7.435 ( -4.182 -0.000 -1.542) 4.457 7.657 ( -8.322 -0.000 1.135) 8.399 7.683 ( -4.719 -0.000 1.505) 4.953 7.944 ( 0.370 0.000 -1.956) 1.991 7.981 ( 3.727 0.000 -3.031) 4.804 8.153 ( -3.657 -0.000 2.049) 4.192 8.245 ( 2.109 0.000 -1.983) 2.895 8.399 ( 2.662 0.000 6.102) 6.658 8.409 ( 1.779 0.000 -2.048) 2.712 8.667 ( 0.782 0.000 6.538) 6.585 8.682 ( -3.673 -0.000 3.168) 4.850 8.823 ( -0.783 -0.000 -2.495) 2.615 8.982 ( 0.246 0.000 -3.611) 3.620 11.952 ( 0.806 0.000 1.643) 1.830 12.052 ( -0.534 -0.000 -2.915) 2.964 12.116 ( -1.575 -0.000 2.054) 2.588 12.276 ( 1.028 0.000 0.189) 1.046 15.439 ( -0.741 -0.000 0.348) 0.819 15.492 ( 1.053 0.000 0.962) 1.427 15.752 ( 0.860 0.000 3.930) 4.023 15.907 ( 0.363 0.000 -1.296) 1.346 15.924 ( -0.633 -0.000 2.294) 2.380 16.130 ( -0.835 -0.000 -2.139) 2.296 16.179 ( -1.565 -0.000 -1.735) 2.337 16.249 ( -2.720 -0.000 -8.305) 8.739 16.368 ( -2.178 -0.000 -0.662) 2.277 16.489 ( -1.812 -0.000 2.837) 3.366 16.550 ( 7.607 0.000 10.624) 13.066 16.822 ( 4.911 0.000 0.373) 4.925 ======================= Grid point 92 (43/72) ======================= q-point: (-0.14 -0.29 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -18.843 0.793 9.620) 21.172 0.923 ( -12.194 -8.130 11.285) 18.497 1.210 ( 2.125 1.431 -0.206) 2.570 1.413 ( -0.588 -1.081 3.281) 3.504 1.435 ( -8.699 -10.609 5.250) 14.690 1.508 ( -0.871 -6.443 3.712) 7.487 1.630 ( -3.394 -0.504 -0.836) 3.531 1.851 ( -7.712 -8.103 4.953) 12.234 1.963 ( 5.669 -1.059 1.108) 5.872 2.011 ( -1.591 1.231 -5.781) 6.121 2.133 ( 3.270 -0.495 -1.262) 3.540 2.215 ( -4.590 2.336 2.902) 5.911 2.403 ( -0.164 3.826 1.722) 4.199 2.445 ( -0.910 2.454 -1.299) 2.922 2.563 ( -0.344 -0.749 2.514) 2.645 2.596 ( -2.331 2.327 1.423) 3.588 2.677 ( -2.689 0.046 1.470) 3.065 2.857 ( 0.255 9.164 -4.278) 10.116 2.951 ( 0.379 1.873 0.255) 1.928 2.965 ( 1.015 0.701 -3.181) 3.412 3.155 ( -1.504 2.818 -2.059) 3.800 3.278 ( -0.577 -0.588 -1.503) 1.714 3.309 ( 2.498 -0.699 -5.651) 6.218 3.390 ( 1.334 -1.081 0.931) 1.953 3.748 ( 8.216 -3.433 5.192) 10.308 3.790 ( 2.264 -1.020 2.826) 3.762 3.889 ( 3.025 -2.111 0.484) 3.720 4.039 ( -1.300 1.009 -3.022) 3.441 4.062 ( -2.793 0.955 -0.751) 3.046 4.160 ( -2.842 0.566 4.872) 5.669 4.298 ( -0.035 -4.681 1.503) 4.917 4.332 ( -0.587 1.741 0.586) 1.928 4.369 ( -1.807 0.866 -0.375) 2.039 4.410 ( -0.189 1.702 -2.010) 2.640 4.627 ( 3.508 -2.795 -5.840) 7.364 4.677 ( -0.616 -0.065 -6.192) 6.222 4.815 ( 0.688 -0.079 7.798) 7.829 4.828 ( 3.201 -1.060 -2.331) 4.099 5.091 ( -1.841 -1.348 -3.451) 4.138 5.267 ( -0.480 3.187 4.270) 5.350 5.282 ( -2.295 4.205 -0.869) 4.868 5.497 ( -1.443 -0.281 -3.963) 4.227 5.554 ( 1.274 -0.890 4.158) 4.439 5.619 ( -1.288 -1.024 3.578) 3.938 5.778 ( 1.167 -1.323 -4.226) 4.580 5.974 ( 2.403 -0.735 -1.881) 3.139 6.015 ( 0.927 -1.465 1.560) 2.332 6.126 ( 4.625 -0.529 -2.149) 5.127 6.198 ( -1.618 -5.434 -1.534) 5.874 6.265 ( 4.148 1.799 1.200) 4.678 6.428 ( -0.637 1.126 2.403) 2.729 6.744 ( 2.692 5.524 -0.817) 6.199 6.839 ( 4.883 2.540 0.276) 5.511 6.941 ( 6.215 -3.317 -0.937) 7.107 7.316 ( -5.326 5.673 1.738) 7.973 7.378 ( -1.532 1.354 -2.120) 2.945 7.553 ( -0.408 -0.609 -0.605) 0.950 7.722 ( -4.359 -3.939 -0.677) 5.914 7.927 ( -1.382 1.998 -3.645) 4.380 7.969 ( -0.109 2.308 -0.817) 2.451 8.170 ( -0.633 -3.772 -0.283) 3.835 8.256 ( 1.049 0.007 0.938) 1.408 8.348 ( 1.014 3.581 4.105) 5.542 8.475 ( -0.555 -1.997 1.350) 2.473 8.648 ( -0.695 0.755 3.643) 3.785 8.685 ( -0.815 -0.115 5.348) 5.411 8.793 ( -1.549 1.661 -2.573) 3.432 8.970 ( 0.750 0.881 -2.606) 2.851 11.966 ( 0.426 -0.651 1.504) 1.693 12.051 ( -0.224 -0.644 -2.507) 2.598 12.095 ( -1.259 0.948 2.110) 2.634 12.281 ( 0.852 0.607 -0.497) 1.158 15.447 ( -0.149 -1.782 1.006) 2.052 15.572 ( 1.717 -5.802 -1.494) 6.232 15.750 ( 0.747 1.592 3.907) 4.285 15.912 ( -0.831 0.940 2.337) 2.653 15.919 ( 1.152 -0.565 -0.909) 1.573 16.038 ( -3.834 5.617 -0.364) 6.811 16.155 ( -1.100 0.547 -1.638) 2.048 16.214 ( -0.523 0.108 -6.578) 6.600 16.380 ( -1.381 -2.279 -1.350) 2.987 16.490 ( -2.002 -1.473 0.852) 2.628 16.632 ( 6.495 1.450 10.714) 12.613 16.865 ( 5.983 1.210 0.323) 6.113 ======================= Grid point 99 (44/72) ======================= q-point: (-0.14 -0.14 0.20) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -17.465 -0.000 17.140) 24.470 0.673 ( -23.530 -0.000 10.739) 25.865 0.993 ( -19.794 -0.000 26.957) 33.444 1.247 ( 0.864 0.000 -0.630) 1.069 1.464 ( 3.921 0.000 8.330) 9.206 1.508 ( 3.640 0.000 -2.419) 4.370 1.571 ( -7.003 -0.000 -5.240) 8.747 1.749 ( 0.389 0.000 6.027) 6.039 1.965 ( -4.464 -0.000 -4.399) 6.267 2.063 ( 10.750 0.000 1.552) 10.861 2.189 ( 7.117 0.000 -3.628) 7.988 2.198 ( -5.634 -0.000 3.218) 6.488 2.425 ( -1.399 -0.000 1.246) 1.873 2.470 ( -0.999 -0.000 2.088) 2.315 2.557 ( -6.673 -0.000 -3.821) 7.689 2.591 ( -0.636 -0.000 1.619) 1.739 2.664 ( -0.137 -0.000 2.711) 2.714 2.948 ( 1.216 0.000 -1.717) 2.104 2.977 ( 0.842 0.000 -2.072) 2.237 2.984 ( 0.068 0.000 -3.159) 3.160 3.202 ( -2.842 -0.000 -4.462) 5.290 3.265 ( 0.014 0.000 -1.498) 1.498 3.314 ( 3.337 0.000 -11.872) 12.332 3.342 ( -1.102 -0.000 0.274) 1.136 3.781 ( 6.420 0.000 5.749) 8.618 3.811 ( 0.112 0.000 1.479) 1.483 3.878 ( 5.572 0.000 4.561) 7.201 4.009 ( -1.316 -0.000 -3.246) 3.503 4.093 ( -2.161 -0.000 1.084) 2.417 4.175 ( -3.411 -0.000 6.363) 7.219 4.188 ( -0.616 -0.000 -2.624) 2.695 4.333 ( -4.666 -0.000 1.090) 4.792 4.391 ( 5.549 0.000 5.533) 7.837 4.434 ( 0.655 0.000 -4.263) 4.313 4.616 ( -5.133 -0.000 -9.825) 11.085 4.632 ( 5.829 0.000 -5.891) 8.287 4.831 ( 0.292 0.000 -2.979) 2.993 4.865 ( 4.155 0.000 13.368) 13.999 5.047 ( -2.704 -0.000 -5.925) 6.513 5.307 ( -1.331 -0.000 1.345) 1.893 5.317 ( -0.573 -0.000 -2.061) 2.139 5.479 ( -1.053 -0.000 -3.573) 3.725 5.547 ( -0.446 -0.000 6.490) 6.506 5.606 ( -1.520 -0.000 5.418) 5.627 5.785 ( 3.569 0.000 -0.138) 3.572 5.996 ( -0.627 -0.000 1.391) 1.525 6.040 ( 8.395 0.000 0.598) 8.416 6.112 ( -0.836 -0.000 -4.923) 4.994 6.147 ( 2.340 0.000 -1.193) 2.627 6.328 ( 3.351 0.000 -0.369) 3.371 6.441 ( 0.153 0.000 5.019) 5.021 6.818 ( -1.206 -0.000 -4.471) 4.631 6.938 ( 6.766 0.000 -0.206) 6.769 6.946 ( 7.841 0.000 1.712) 8.026 7.319 ( -7.799 -0.000 1.367) 7.918 7.345 ( -1.655 -0.000 -3.062) 3.480 7.547 ( -3.581 -0.000 1.965) 4.084 7.623 ( -2.183 -0.000 0.924) 2.370 7.938 ( -0.284 -0.000 0.197) 0.346 8.039 ( 3.678 0.000 -6.223) 7.229 8.091 ( -3.293 -0.000 3.850) 5.066 8.258 ( -0.716 -0.000 0.405) 0.823 8.424 ( 0.602 0.000 -3.480) 3.532 8.443 ( -1.583 -0.000 1.554) 2.218 8.666 ( 2.928 0.000 4.550) 5.411 8.712 ( 1.987 0.000 5.626) 5.967 8.792 ( -1.661 -0.000 -2.674) 3.147 8.980 ( 0.669 0.000 -2.580) 2.665 11.963 ( -0.238 -0.000 0.811) 0.845 12.040 ( 0.166 0.000 -2.463) 2.468 12.099 ( -0.709 -0.000 2.766) 2.855 12.290 ( 0.354 0.000 -0.350) 0.497 15.430 ( -0.263 -0.000 0.336) 0.427 15.505 ( 0.069 0.000 0.086) 0.110 15.794 ( 2.789 0.000 5.103) 5.815 15.916 ( 0.890 0.000 -0.938) 1.293 15.917 ( -0.737 -0.000 1.954) 2.089 16.102 ( -1.553 -0.000 -2.370) 2.833 16.136 ( -7.262 -0.000 -8.222) 10.970 16.146 ( -1.006 -0.000 -1.549) 1.847 16.347 ( -0.108 -0.000 0.010) 0.108 16.459 ( -1.681 -0.000 0.651) 1.803 16.814 ( 17.627 0.000 15.432) 23.427 16.907 ( 3.532 0.000 1.322) 3.771 ======================= Grid point 100 (45/72) ======================= q-point: ( 0.00 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.743 0.000 19.283) 19.297 0.945 ( -0.818 -0.000 18.046) 18.064 1.164 ( -0.270 -0.000 -11.104) 11.108 1.257 ( 3.353 0.000 1.409) 3.637 1.323 ( -4.083 -0.000 -1.558) 4.370 1.353 ( 1.012 0.000 -10.071) 10.122 1.768 ( 0.894 0.000 5.942) 6.009 1.836 ( -0.858 -0.000 -3.306) 3.416 2.043 ( -6.768 -0.000 27.692) 28.507 2.154 ( -5.010 -0.000 2.228) 5.483 2.231 ( 2.862 0.000 0.499) 2.905 2.305 ( 9.993 0.000 1.497) 10.105 2.323 ( -8.546 -0.000 -0.536) 8.563 2.434 ( -0.727 -0.000 0.837) 1.109 2.510 ( 3.165 0.000 -0.009) 3.165 2.692 ( -0.227 -0.000 8.043) 8.046 2.715 ( -1.019 -0.000 -12.121) 12.164 2.810 ( 3.460 0.000 -7.551) 8.306 2.852 ( 0.284 0.000 -7.607) 7.613 2.900 ( 0.293 0.000 -5.474) 5.482 3.056 ( -1.486 -0.000 -1.316) 1.985 3.091 ( 1.695 0.000 -3.295) 3.705 3.309 ( 0.421 0.000 1.332) 1.397 3.327 ( -0.724 -0.000 -0.193) 0.749 3.893 ( 2.317 0.000 3.190) 3.942 3.918 ( -0.985 -0.000 1.088) 1.467 3.995 ( -5.330 -0.000 2.242) 5.782 4.011 ( 4.539 0.000 0.110) 4.540 4.087 ( 0.819 0.000 2.603) 2.728 4.122 ( 0.139 0.000 -3.577) 3.579 4.145 ( -1.055 -0.000 1.759) 2.051 4.276 ( -1.099 -0.000 -7.914) 7.990 4.428 ( -0.760 -0.000 8.878) 8.911 4.491 ( -0.912 -0.000 3.787) 3.896 4.570 ( 3.560 0.000 -7.143) 7.981 4.656 ( -2.106 -0.000 -10.337) 10.550 4.725 ( 8.140 0.000 6.192) 10.228 4.848 ( -5.327 -0.000 -6.294) 8.246 5.161 ( -3.787 -0.000 7.408) 8.320 5.216 ( -0.371 -0.000 -1.894) 1.930 5.249 ( 1.698 0.000 2.856) 3.323 5.380 ( 0.064 0.000 -6.952) 6.953 5.717 ( -2.135 -0.000 7.324) 7.629 5.742 ( -1.047 -0.000 11.047) 11.096 5.836 ( 4.010 0.000 -4.282) 5.866 5.954 ( 1.149 0.000 -10.049) 10.114 6.002 ( -1.452 -0.000 -0.140) 1.459 6.040 ( 0.153 0.000 -4.679) 4.681 6.195 ( -1.523 -0.000 6.932) 7.097 6.323 ( 1.002 0.000 -5.148) 5.245 6.616 ( 1.586 0.000 7.023) 7.200 6.725 ( -0.966 -0.000 -4.265) 4.373 7.084 ( -3.628 -0.000 2.622) 4.476 7.124 ( 9.762 0.000 -1.288) 9.847 7.202 ( -8.202 -0.000 1.720) 8.380 7.257 ( 5.765 0.000 -3.825) 6.919 7.557 ( -1.872 -0.000 3.060) 3.587 7.603 ( -0.089 -0.000 -1.068) 1.072 7.992 ( 1.175 0.000 0.725) 1.381 7.998 ( 0.857 0.000 -0.904) 1.246 8.168 ( 3.046 0.000 4.220) 5.205 8.222 ( -5.375 -0.000 -1.585) 5.604 8.375 ( -2.142 -0.000 1.143) 2.428 8.415 ( 2.545 0.000 -0.223) 2.554 8.632 ( -3.004 -0.000 -0.706) 3.086 8.685 ( 0.603 0.000 -4.432) 4.473 8.851 ( -0.375 -0.000 4.950) 4.964 8.935 ( 0.689 0.000 -3.662) 3.727 11.964 ( -1.568 -0.000 1.517) 2.182 12.002 ( 1.525 0.000 -2.321) 2.777 12.186 ( 0.657 0.000 4.071) 4.124 12.252 ( -0.717 -0.000 -2.665) 2.760 15.448 ( 0.753 0.000 1.124) 1.353 15.472 ( -1.132 -0.000 -1.324) 1.742 15.900 ( 0.634 0.000 0.773) 0.999 15.915 ( 0.204 0.000 -0.789) 0.815 15.964 ( -0.716 -0.000 2.585) 2.683 16.018 ( -0.698 -0.000 3.378) 3.450 16.020 ( 0.503 0.000 -3.056) 3.097 16.085 ( 0.206 0.000 -3.345) 3.351 16.390 ( 2.087 0.000 1.536) 2.591 16.416 ( -2.004 -0.000 -1.126) 2.299 16.994 ( -0.092 -0.000 2.955) 2.956 17.050 ( -0.620 -0.000 -2.742) 2.811 ======================= Grid point 101 (46/72) ======================= q-point: ( 0.14 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 6.244 -7.347 12.518) 15.800 0.993 ( 0.542 -3.941 18.761) 19.178 1.175 ( 6.466 -0.365 -11.641) 13.322 1.234 ( -2.496 0.323 -7.692) 8.093 1.384 ( 0.383 -5.744 1.118) 5.865 1.464 ( 6.357 -8.251 -6.187) 12.115 1.724 ( -1.154 3.885 6.927) 8.025 1.809 ( -0.499 1.249 -5.593) 5.752 2.072 ( -4.779 1.415 4.139) 6.479 2.105 ( -5.824 -4.874 19.731) 21.142 2.194 ( 2.819 3.677 -1.893) 5.005 2.233 ( -5.520 0.975 0.610) 5.638 2.365 ( 4.274 3.942 2.318) 6.260 2.478 ( 0.859 -2.823 -0.372) 2.974 2.524 ( 2.090 -0.840 3.849) 4.460 2.651 ( 0.217 5.450 5.045) 7.430 2.742 ( -0.761 1.849 5.637) 5.981 2.760 ( 2.550 6.089 -6.419) 9.208 2.842 ( 3.308 1.028 -10.571) 11.124 2.868 ( 0.768 -3.623 -11.329) 11.919 3.087 ( 1.323 -1.614 -1.217) 2.416 3.132 ( 2.365 -2.917 -4.272) 5.688 3.302 ( -2.212 -1.327 4.174) 4.907 3.379 ( -0.413 -3.054 -1.437) 3.400 3.886 ( -1.363 2.111 1.871) 3.133 3.903 ( -4.590 -0.824 0.600) 4.702 3.964 ( 1.294 0.614 1.127) 1.822 4.040 ( 3.138 1.565 -0.779) 3.592 4.109 ( 2.306 -1.329 4.518) 5.244 4.149 ( -0.541 -4.132 -2.396) 4.807 4.217 ( -0.571 -4.849 -0.175) 4.886 4.242 ( -2.081 1.044 -4.008) 4.635 4.419 ( -0.567 0.041 6.348) 6.373 4.492 ( 0.462 0.606 4.471) 4.536 4.573 ( 1.185 1.516 -5.802) 6.112 4.607 ( -0.635 1.304 -11.063) 11.158 4.733 ( -2.464 2.754 4.303) 5.671 4.852 ( 2.293 -2.637 -4.527) 5.719 5.126 ( -4.665 0.319 3.681) 5.951 5.205 ( 1.789 1.085 0.667) 2.196 5.248 ( 0.897 1.025 6.645) 6.783 5.373 ( 0.057 -0.180 -7.680) 7.682 5.673 ( -2.141 2.714 4.165) 5.412 5.767 ( 0.186 -0.525 8.850) 8.868 5.798 ( 1.077 2.983 -3.928) 5.048 5.952 ( -0.291 -0.148 -9.179) 9.185 6.014 ( -0.907 -2.009 1.752) 2.815 6.064 ( -1.152 -2.274 -3.915) 4.672 6.217 ( -1.844 -3.733 6.094) 7.381 6.335 ( -0.403 -2.192 -3.713) 4.331 6.591 ( 1.289 4.926 6.049) 7.907 6.652 ( -1.361 5.598 -4.798) 7.497 7.035 ( -8.290 1.808 0.350) 8.492 7.069 ( -5.968 0.359 0.408) 5.992 7.205 ( 6.902 3.273 0.722) 7.673 7.290 ( 7.737 3.581 -3.489) 9.212 7.565 ( -0.160 -0.654 2.384) 2.477 7.624 ( 0.147 -2.210 -2.491) 3.334 7.892 ( 0.074 5.717 2.443) 6.218 7.966 ( 2.000 4.009 -3.179) 5.493 8.230 ( -3.096 -5.262 1.838) 6.376 8.306 ( 2.603 -5.827 0.689) 6.419 8.384 ( -1.992 -2.796 0.922) 3.554 8.454 ( 3.703 -0.556 2.542) 4.526 8.571 ( -3.500 2.283 1.297) 4.375 8.659 ( -0.005 2.259 -2.626) 3.464 8.860 ( -0.088 -0.393 3.402) 3.426 8.929 ( 0.271 0.667 -3.352) 3.428 11.962 ( -1.433 -1.010 1.594) 2.370 12.025 ( 1.756 -1.148 -2.173) 3.020 12.182 ( 0.495 1.476 4.000) 4.293 12.229 ( -0.795 1.251 -3.004) 3.349 15.470 ( -0.719 -2.206 1.840) 2.961 15.519 ( 0.663 -4.514 -2.464) 5.186 15.871 ( -0.923 2.551 1.188) 2.961 15.898 ( 0.359 1.472 -0.763) 1.697 15.956 ( -1.465 0.231 3.963) 4.232 16.008 ( 0.463 0.402 2.649) 2.719 16.060 ( 1.885 -0.827 -3.253) 3.849 16.091 ( 1.891 -0.571 -4.058) 4.513 16.407 ( -1.482 -1.291 -0.479) 2.023 16.433 ( 2.237 -1.799 0.647) 2.942 16.909 ( -3.782 6.450 4.439) 8.695 16.967 ( -3.858 4.683 -1.946) 6.372 ======================= Grid point 102 (47/72) ======================= q-point: ( 0.29 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 3.903 -3.943 2.100) 5.932 1.171 ( 3.129 -0.184 -2.326) 3.903 1.185 ( -0.722 -11.016 7.505) 13.349 1.307 ( 0.880 -5.570 -7.452) 9.345 1.501 ( -1.099 -7.038 4.516) 8.434 1.647 ( 0.426 4.837 4.198) 6.419 1.689 ( 6.229 -6.708 -3.662) 9.859 1.808 ( 4.769 -2.540 -8.371) 9.963 2.015 ( -2.158 1.439 0.413) 2.626 2.073 ( -1.877 2.993 1.197) 3.730 2.169 ( -0.533 0.013 1.004) 1.136 2.269 ( -3.538 -0.885 7.713) 8.532 2.320 ( 3.739 -0.764 -0.421) 3.840 2.427 ( -1.550 8.461 0.124) 8.603 2.501 ( 1.613 5.317 -1.837) 5.852 2.565 ( 3.473 4.692 0.324) 5.846 2.675 ( -2.354 1.600 7.644) 8.157 2.721 ( -1.132 4.062 -1.060) 4.348 2.869 ( 7.325 -5.483 7.057) 11.555 3.007 ( 1.153 -7.817 -10.764) 13.353 3.096 ( 0.285 1.604 -1.912) 2.512 3.200 ( 1.860 -2.117 -3.730) 4.675 3.311 ( -3.065 -0.532 4.875) 5.783 3.413 ( -1.826 -2.156 0.752) 2.924 3.806 ( -4.850 2.283 1.507) 5.568 3.898 ( -0.879 -0.298 -0.406) 1.013 3.945 ( -1.011 2.621 -0.143) 2.813 4.044 ( 2.842 -0.368 -1.133) 3.082 4.110 ( -2.486 1.979 -0.900) 3.303 4.212 ( 3.208 -1.431 1.390) 3.777 4.252 ( -2.051 -2.220 1.190) 3.248 4.273 ( 0.744 -3.426 0.970) 3.638 4.462 ( 0.510 1.093 5.069) 5.210 4.474 ( -1.580 -0.302 -1.465) 2.176 4.529 ( -0.215 -0.002 -0.514) 0.557 4.570 ( 2.177 1.591 -9.702) 10.069 4.704 ( -1.870 -1.470 3.647) 4.354 4.894 ( 2.179 -0.148 -2.556) 3.362 5.093 ( -3.578 -0.618 1.499) 3.928 5.214 ( 2.533 -0.004 1.765) 3.087 5.272 ( 1.940 -0.348 5.629) 5.964 5.365 ( -0.006 -0.458 -6.164) 6.181 5.627 ( -0.274 0.855 0.439) 0.999 5.709 ( 0.305 3.816 -4.919) 6.234 5.842 ( -0.510 -3.084 6.974) 7.642 5.897 ( -3.664 2.120 -5.023) 6.569 6.063 ( -2.494 -0.102 -0.234) 2.507 6.069 ( -0.306 -4.226 -1.551) 4.512 6.318 ( 0.009 -6.280 0.988) 6.357 6.383 ( -0.622 -1.922 0.492) 2.079 6.484 ( 0.803 7.548 4.238) 8.694 6.516 ( -0.513 4.958 -5.490) 7.415 6.908 ( -7.305 1.664 2.399) 7.867 7.039 ( -4.526 -0.412 -2.413) 5.146 7.165 ( 3.132 6.056 2.469) 7.251 7.262 ( 6.729 4.913 -0.795) 8.369 7.546 ( -0.644 1.760 -1.663) 2.505 7.660 ( 1.856 -0.090 -2.932) 3.472 7.835 ( 0.290 1.117 2.125) 2.418 7.942 ( 2.550 0.423 -2.746) 3.771 8.302 ( -2.405 -4.595 0.063) 5.187 8.383 ( 1.684 -0.467 2.556) 3.096 8.437 ( -1.772 -2.856 0.592) 3.413 8.494 ( -2.090 -0.922 3.609) 4.271 8.524 ( 1.171 0.269 -1.118) 1.641 8.623 ( 2.284 1.221 1.527) 3.007 8.867 ( -0.361 0.117 1.319) 1.373 8.904 ( -0.178 1.253 -2.245) 2.577 11.978 ( -1.185 -1.726 1.827) 2.779 12.069 ( 1.760 -1.988 -2.119) 3.397 12.155 ( 0.147 2.184 3.640) 4.248 12.184 ( -0.604 2.206 -3.162) 3.902 15.518 ( -1.384 -3.350 2.165) 4.222 15.616 ( 1.540 -4.479 -3.104) 5.663 15.810 ( -1.393 2.522 2.055) 3.539 15.864 ( -0.569 1.868 -0.421) 1.998 15.953 ( 0.277 0.212 4.546) 4.559 16.010 ( 0.241 0.284 3.212) 3.234 16.064 ( 0.785 0.399 -3.555) 3.662 16.112 ( 2.332 0.500 -5.388) 5.893 16.438 ( -0.633 -3.198 -0.855) 3.370 16.492 ( 2.148 -1.875 0.396) 2.879 16.756 ( -4.018 5.677 5.044) 8.592 16.833 ( -3.276 4.892 -2.532) 6.409 ======================= Grid point 103 (48/72) ======================= q-point: ( 0.43 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.980 -0.634 -0.038) 1.168 1.220 ( 1.273 -0.272 -2.566) 2.877 1.364 ( 1.590 -2.727 1.779) 3.624 1.381 ( -3.457 -5.425 -2.659) 6.961 1.559 ( 1.670 2.909 8.325) 8.975 1.679 ( -2.051 -8.782 1.917) 9.220 1.772 ( 1.409 -1.979 -4.833) 5.409 1.895 ( 3.040 3.564 -3.973) 6.142 1.987 ( 4.801 -2.459 -1.741) 5.668 2.036 ( -1.030 0.264 -0.957) 1.430 2.162 ( -2.468 5.850 -1.909) 6.631 2.227 ( -1.528 -2.473 0.542) 2.958 2.282 ( 1.762 2.230 1.342) 3.144 2.368 ( 2.376 6.040 -2.689) 7.025 2.456 ( 1.267 -3.484 4.779) 6.048 2.554 ( 0.942 -0.520 0.689) 1.277 2.605 ( -1.518 2.819 0.646) 3.267 2.637 ( -2.012 2.446 1.507) 3.508 3.024 ( 0.813 1.322 1.195) 1.958 3.097 ( 4.071 -3.832 3.472) 6.581 3.133 ( 1.240 -5.453 -3.467) 6.580 3.211 ( -2.674 -0.004 -0.360) 2.698 3.284 ( -1.360 1.178 1.425) 2.294 3.421 ( -1.452 -0.256 1.810) 2.334 3.737 ( -2.492 1.108 2.747) 3.871 3.849 ( -2.194 3.192 -2.266) 4.488 3.902 ( 0.322 0.028 -0.360) 0.484 4.062 ( -0.994 1.311 1.262) 2.074 4.116 ( 4.682 -2.800 -0.475) 5.476 4.225 ( -2.083 1.308 0.173) 2.465 4.269 ( -0.435 -0.678 2.603) 2.724 4.347 ( -0.255 -2.872 2.403) 3.753 4.393 ( -2.373 1.300 -0.265) 2.719 4.485 ( 1.678 0.014 -2.101) 2.689 4.510 ( 3.433 3.056 -2.277) 5.129 4.622 ( 0.367 -3.744 -2.215) 4.366 4.714 ( -3.043 -0.746 0.198) 3.139 4.927 ( 4.037 -0.937 2.813) 5.009 5.067 ( -3.953 -0.139 -1.041) 4.090 5.249 ( 1.951 -0.251 0.935) 2.178 5.279 ( 0.017 0.784 2.400) 2.525 5.395 ( 2.198 -1.802 -2.527) 3.803 5.603 ( -0.913 2.437 -1.100) 2.826 5.669 ( 1.329 -0.776 -5.000) 5.232 5.776 ( -4.113 3.364 -0.473) 5.335 5.933 ( 1.048 -2.755 1.902) 3.508 6.045 ( -2.354 -1.222 0.160) 2.657 6.149 ( 0.138 -3.739 -3.476) 5.107 6.327 ( -0.903 4.447 3.098) 5.494 6.344 ( -0.094 5.394 4.236) 6.859 6.432 ( 1.177 -3.160 -3.766) 5.055 6.507 ( 0.318 -1.114 -2.527) 2.780 6.872 ( -3.958 -2.855 3.253) 5.865 7.001 ( -2.234 0.027 -2.764) 3.554 7.055 ( 2.561 7.224 2.111) 7.950 7.252 ( 1.967 0.843 1.980) 2.916 7.511 ( 0.619 0.944 -4.251) 4.399 7.660 ( 0.734 0.431 -2.126) 2.290 7.833 ( 0.238 -0.102 0.270) 0.374 7.961 ( 1.153 -0.168 -1.861) 2.195 8.346 ( -2.303 -1.740 -0.098) 2.888 8.388 ( 1.055 1.091 5.169) 5.387 8.447 ( 0.173 0.448 1.447) 1.525 8.495 ( -0.161 0.359 -1.624) 1.671 8.526 ( -1.485 -1.894 -0.914) 2.575 8.677 ( 2.984 -2.410 4.272) 5.741 8.827 ( -2.277 2.402 -2.501) 4.148 8.900 ( 0.806 -0.222 0.621) 1.042 12.009 ( -0.638 -2.072 2.158) 3.059 12.110 ( 0.360 1.055 1.651) 1.992 12.123 ( 0.762 1.475 -1.352) 2.141 12.136 ( -0.414 -0.172 -2.410) 2.451 15.567 ( -1.058 -2.479 1.370) 3.023 15.679 ( 1.085 -0.139 0.178) 1.108 15.777 ( -0.784 -0.522 -0.881) 1.290 15.825 ( -0.328 1.257 -0.089) 1.302 15.957 ( 0.121 0.320 4.852) 4.864 16.008 ( -0.280 0.484 3.575) 3.618 16.062 ( 0.791 -0.193 -3.740) 3.827 16.103 ( 1.123 0.887 -5.328) 5.517 16.496 ( -0.024 -2.234 -0.668) 2.332 16.534 ( 1.024 -0.790 0.199) 1.309 16.657 ( -1.659 1.826 3.058) 3.929 16.733 ( -1.538 2.775 -1.541) 3.527 ======================= Grid point 104 (49/72) ======================= q-point: (-0.43 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.037 4.813 0.734) 4.869 1.187 ( -0.757 1.540 0.355) 1.752 1.306 ( -0.470 6.880 2.936) 7.495 1.406 ( -0.135 1.640 0.463) 1.710 1.564 ( 1.724 -0.737 2.261) 2.937 1.702 ( -1.694 2.799 0.335) 3.289 1.822 ( -1.275 0.512 -2.630) 2.968 1.889 ( -2.257 0.348 -3.827) 4.456 1.989 ( 2.808 1.725 -4.562) 5.628 2.035 ( -1.890 -0.137 -0.598) 1.987 2.126 ( 0.254 -5.875 0.692) 5.921 2.241 ( 3.340 0.318 0.605) 3.410 2.265 ( -4.288 3.469 2.917) 6.240 2.333 ( -1.208 -7.360 -0.194) 7.461 2.510 ( -2.004 0.857 0.759) 2.308 2.538 ( -2.803 0.040 0.071) 2.804 2.608 ( 2.640 -2.818 1.336) 4.086 2.668 ( 1.872 -4.859 -1.071) 5.316 2.983 ( -5.133 6.260 5.893) 10.013 3.057 ( 0.101 1.024 -0.351) 1.087 3.185 ( 1.233 2.324 1.560) 3.059 3.202 ( -2.948 2.874 -3.089) 5.147 3.308 ( 4.795 -3.454 -0.753) 5.957 3.418 ( -1.891 -0.620 1.970) 2.800 3.750 ( 2.613 -2.057 2.735) 4.306 3.834 ( 2.402 -2.242 -2.078) 3.888 3.903 ( 1.419 0.758 -0.207) 1.622 4.041 ( -0.550 0.470 2.988) 3.075 4.115 ( -4.688 3.297 -0.543) 5.756 4.232 ( 3.738 -1.682 0.381) 4.116 4.277 ( 0.112 -0.228 2.127) 2.142 4.369 ( -5.015 -2.210 2.062) 5.855 4.387 ( 1.279 0.011 1.969) 2.348 4.434 ( 4.497 5.711 -5.314) 9.004 4.547 ( 0.323 -2.793 -1.615) 3.242 4.658 ( -0.590 -0.711 -4.420) 4.515 4.671 ( -3.750 1.435 1.165) 4.181 4.981 ( 0.864 0.307 4.206) 4.305 5.053 ( 0.030 -2.372 -4.376) 4.978 5.236 ( 0.315 2.201 3.458) 4.111 5.271 ( -1.095 0.230 0.849) 1.404 5.417 ( 0.067 0.940 -3.549) 3.672 5.575 ( 0.679 -0.895 0.657) 1.301 5.672 ( -1.798 0.455 -4.628) 4.986 5.744 ( 2.772 -0.607 2.177) 3.576 5.969 ( 1.215 -0.648 -0.711) 1.549 6.065 ( 0.999 0.343 -3.341) 3.504 6.146 ( 1.530 3.193 -1.327) 3.781 6.280 ( -1.166 -0.664 6.190) 6.334 6.337 ( -0.241 -3.054 2.959) 4.259 6.460 ( 0.178 1.590 -2.967) 3.371 6.497 ( -0.102 -0.263 -2.343) 2.360 6.919 ( 0.915 -2.294 -0.358) 2.495 6.943 ( 4.492 4.776 2.400) 6.982 7.065 ( -2.775 -6.645 0.713) 7.237 7.260 ( -2.953 -1.724 1.140) 3.605 7.518 ( 2.277 -0.842 -4.789) 5.369 7.658 ( -1.108 -0.611 -1.915) 2.295 7.844 ( 0.473 -0.824 -0.701) 1.181 7.946 ( -1.474 1.391 -0.562) 2.103 8.322 ( -0.011 2.541 1.919) 3.184 8.399 ( 0.890 -0.183 4.400) 4.492 8.421 ( 1.542 3.106 4.104) 5.373 8.489 ( -1.128 -0.575 -2.801) 3.073 8.568 ( -0.728 -3.312 -3.154) 4.631 8.733 ( -1.897 1.389 -0.363) 2.379 8.763 ( 0.215 -0.884 2.818) 2.961 8.913 ( 0.732 -0.298 -0.711) 1.063 12.041 ( 0.424 -0.284 0.614) 0.799 12.071 ( -0.453 2.368 2.283) 3.320 12.088 ( -0.508 0.109 -0.071) 0.525 12.179 ( 0.455 -2.503 -2.799) 3.783 15.578 ( -0.029 1.320 0.348) 1.366 15.661 ( -0.320 1.598 1.845) 2.462 15.771 ( -0.331 0.257 -0.744) 0.854 15.845 ( 1.038 -2.275 -1.456) 2.894 15.959 ( -0.301 0.056 4.778) 4.787 15.998 ( -1.020 0.294 3.480) 3.638 16.075 ( 0.127 -0.975 -3.247) 3.393 16.095 ( 0.625 0.069 -5.342) 5.378 16.481 ( -1.094 2.488 1.002) 2.897 16.538 ( -0.478 0.708 -0.033) 0.855 16.689 ( 1.311 -2.873 1.001) 3.313 16.709 ( 1.732 -1.766 -0.562) 2.536 ======================= Grid point 105 (50/72) ======================= q-point: (-0.29 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -1.053 10.297 9.990) 14.385 1.129 ( -3.553 4.744 3.519) 6.893 1.211 ( 1.118 2.012 1.047) 2.529 1.362 ( -1.444 2.405 -5.907) 6.539 1.556 ( 0.001 5.268 -0.277) 5.275 1.613 ( -0.566 6.191 1.787) 6.469 1.691 ( -5.838 4.029 0.532) 7.114 1.814 ( -3.753 -0.908 -8.280) 9.136 2.035 ( 2.571 -0.390 -1.068) 2.811 2.072 ( 2.714 -4.774 0.599) 5.524 2.182 ( -1.831 0.990 0.686) 2.191 2.216 ( -2.549 -1.251 7.849) 8.347 2.352 ( 3.198 -4.535 -0.193) 5.553 2.443 ( -3.536 -4.454 0.375) 5.700 2.518 ( -1.169 -3.940 -2.960) 5.064 2.549 ( -1.471 -6.765 1.642) 7.115 2.670 ( 1.858 0.496 3.426) 3.929 2.747 ( -3.489 7.411 9.595) 12.615 2.791 ( -2.491 -5.166 -2.080) 6.101 3.042 ( -0.660 7.133 -3.548) 7.994 3.107 ( 0.299 -0.597 -6.050) 6.087 3.142 ( -0.255 2.986 0.510) 3.040 3.371 ( 1.165 0.995 0.730) 1.697 3.408 ( 0.138 0.516 0.183) 0.565 3.845 ( 4.842 -3.370 -1.381) 6.059 3.898 ( 1.456 0.965 -0.584) 1.842 3.925 ( 3.051 -2.363 1.410) 4.108 4.022 ( -1.868 1.678 0.422) 2.546 4.046 ( -1.207 -0.726 3.749) 4.005 4.226 ( 0.017 2.312 2.182) 3.179 4.309 ( 1.014 -0.419 -3.330) 3.506 4.320 ( -1.269 4.562 -3.255) 5.746 4.380 ( -3.173 -1.822 5.583) 6.675 4.438 ( 4.381 -0.943 1.388) 4.691 4.549 ( -3.215 1.111 -1.420) 3.686 4.641 ( -0.316 -0.018 -9.931) 9.936 4.653 ( 2.463 -0.113 3.149) 3.999 4.954 ( -3.590 0.279 -2.531) 4.401 5.112 ( 2.295 -1.872 -0.571) 3.016 5.203 ( -0.255 1.711 6.033) 6.276 5.254 ( -2.513 -0.293 -0.574) 2.594 5.389 ( 0.284 0.528 -4.924) 4.961 5.627 ( 0.824 -2.861 2.801) 4.088 5.666 ( 0.846 -1.531 -3.556) 3.963 5.773 ( 2.044 1.065 6.295) 6.703 5.986 ( 0.629 0.252 -5.187) 5.231 6.022 ( 2.108 3.350 -0.823) 4.043 6.119 ( 1.251 1.102 -2.446) 2.960 6.311 ( 2.633 0.815 2.233) 3.547 6.346 ( -1.071 5.823 3.981) 7.134 6.423 ( -0.119 -4.702 2.611) 5.379 6.577 ( -0.307 -7.080 -4.454) 8.370 6.932 ( 7.101 1.255 1.087) 7.292 6.996 ( 4.567 -1.829 0.789) 4.982 7.174 ( -4.542 -7.162 1.598) 8.631 7.264 ( -5.557 -2.844 -1.297) 6.376 7.558 ( 2.535 -0.892 -2.452) 3.638 7.652 ( -2.113 -0.647 -2.386) 3.252 7.871 ( -0.611 -1.710 -0.392) 1.858 7.900 ( -1.917 0.340 0.171) 1.954 8.268 ( 1.872 4.192 2.224) 5.101 8.384 ( 1.901 3.263 4.517) 5.887 8.415 ( 0.307 0.158 3.486) 3.503 8.474 ( -2.156 0.240 -0.817) 2.318 8.613 ( -0.763 -2.062 -6.241) 6.617 8.659 ( -3.166 0.835 -0.988) 3.420 8.816 ( 1.018 -1.664 5.098) 5.459 8.921 ( 0.658 -0.131 -2.190) 2.291 12.022 ( 0.846 1.687 -2.116) 2.835 12.026 ( -1.080 1.891 1.835) 2.847 12.118 ( 0.020 -2.132 3.298) 3.927 12.221 ( 0.022 -2.145 -2.892) 3.600 15.528 ( 0.157 3.576 1.489) 3.877 15.611 ( -0.110 3.591 -2.732) 4.513 15.791 ( 0.277 -2.148 2.776) 3.521 15.889 ( 0.168 -1.722 -1.399) 2.225 15.964 ( 0.187 -0.019 3.433) 3.438 15.995 ( -1.150 -0.608 3.571) 3.801 16.084 ( -1.362 -0.849 -2.951) 3.359 16.092 ( 0.237 0.027 -5.415) 5.420 16.422 ( 0.272 2.917 0.745) 3.023 16.502 ( -1.830 1.716 -0.436) 2.546 16.762 ( 2.515 -4.372 4.907) 7.037 16.827 ( 4.246 -5.708 -2.392) 7.505 ======================= Grid point 106 (51/72) ======================= q-point: (-0.14 0.00 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -2.174 4.784 18.027) 18.777 1.001 ( -5.956 4.806 15.282) 17.092 1.170 ( -1.170 2.271 -6.993) 7.445 1.302 ( -2.589 -1.591 -9.967) 10.419 1.382 ( -1.462 9.057 -0.182) 9.176 1.462 ( -3.200 5.837 -5.556) 8.671 1.693 ( 2.359 -3.202 6.955) 8.012 1.831 ( -0.790 -1.818 -5.027) 5.404 2.106 ( 5.621 -3.105 -1.133) 6.520 2.130 ( -5.159 2.533 16.696) 17.657 2.180 ( -5.291 -1.106 7.800) 9.490 2.220 ( 7.763 -2.203 0.497) 8.085 2.372 ( -5.067 0.559 0.774) 5.156 2.456 ( 0.885 -2.400 -1.705) 3.074 2.526 ( -2.583 5.672 3.894) 7.349 2.646 ( -0.903 -4.621 3.889) 6.107 2.732 ( 0.626 -4.228 3.653) 5.623 2.745 ( 0.451 -7.811 -3.753) 8.677 2.863 ( -1.253 5.286 -13.981) 14.999 2.877 ( 0.671 -1.284 -6.934) 7.084 3.086 ( -0.589 1.639 -0.833) 1.930 3.111 ( 0.427 1.364 -3.033) 3.353 3.329 ( -1.545 2.061 3.276) 4.168 3.375 ( 1.165 3.528 -2.862) 4.690 3.879 ( 1.172 0.991 2.403) 2.852 3.928 ( 1.523 0.072 -1.392) 2.065 3.968 ( 3.276 -0.290 1.326) 3.546 4.006 ( -3.055 -2.142 1.075) 3.883 4.064 ( 0.231 -0.513 4.210) 4.248 4.173 ( -0.899 3.119 0.181) 3.251 4.216 ( 0.664 5.569 -1.522) 5.811 4.296 ( -1.739 -0.106 -6.986) 7.200 4.404 ( -1.413 -1.806 7.589) 7.928 4.490 ( -0.538 -0.946 1.689) 2.009 4.530 ( 3.457 -0.661 -2.405) 4.263 4.642 ( 3.539 -0.193 -5.023) 6.148 4.683 ( 1.760 -0.022 -1.201) 2.131 4.906 ( -4.495 0.316 -4.849) 6.619 5.166 ( 1.328 -0.939 7.291) 7.470 5.191 ( -1.023 -1.205 0.229) 1.597 5.239 ( -2.108 -0.699 -1.130) 2.492 5.386 ( 0.641 -0.095 -6.160) 6.194 5.688 ( -0.352 -2.673 5.046) 5.721 5.741 ( 0.934 -3.425 2.468) 4.323 5.766 ( 1.610 0.598 4.528) 4.842 5.959 ( 1.422 1.339 -7.671) 7.916 6.002 ( 2.041 0.945 -0.326) 2.273 6.097 ( -0.459 2.255 -4.660) 5.197 6.229 ( -0.894 4.385 6.194) 7.642 6.317 ( 2.977 0.753 -3.449) 4.618 6.544 ( 1.511 -4.831 6.269) 8.058 6.689 ( -1.110 -5.218 -3.934) 6.628 7.007 ( 7.853 -1.127 2.741) 8.393 7.074 ( 7.167 -0.226 -0.052) 7.170 7.233 ( -7.628 -4.528 2.304) 9.165 7.252 ( -4.441 -1.037 -3.630) 5.829 7.568 ( -0.114 0.593 2.000) 2.089 7.634 ( -0.661 1.311 -3.281) 3.595 7.898 ( -1.354 -4.488 2.839) 5.481 7.946 ( 0.727 -4.073 -2.358) 4.762 8.208 ( 2.846 4.914 2.505) 6.207 8.323 ( -1.553 4.478 1.389) 4.939 8.398 ( -0.782 0.705 -0.023) 1.053 8.435 ( -1.987 2.122 1.683) 3.359 8.617 ( -1.726 -2.495 -1.056) 3.212 8.672 ( 0.146 -1.655 -4.985) 5.255 8.847 ( 0.001 -0.323 5.006) 5.016 8.928 ( 0.968 -0.283 -3.203) 3.358 11.987 ( -1.571 1.081 1.677) 2.540 12.003 ( 1.266 1.013 -2.478) 2.962 12.160 ( 0.484 -1.399 3.917) 4.188 12.249 ( -0.370 -1.261 -2.748) 3.046 15.468 ( 0.138 2.701 1.551) 3.118 15.528 ( -0.491 3.937 -2.864) 4.893 15.851 ( 1.300 -2.708 2.510) 3.915 15.910 ( -0.526 -0.913 -0.926) 1.403 15.969 ( 0.188 0.307 2.702) 2.726 16.005 ( -1.157 -0.908 2.802) 3.164 16.059 ( -1.589 1.206 -3.852) 4.338 16.089 ( -0.289 -0.232 -3.490) 3.510 16.387 ( 1.543 1.734 1.134) 2.583 16.450 ( -2.250 1.344 -0.766) 2.731 16.906 ( 2.707 -6.360 4.394) 8.191 16.971 ( 4.318 -5.167 -2.040) 7.036 ======================= Grid point 108 (52/72) ======================= q-point: ( 0.14 0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 8.661 0.000 10.140) 13.335 1.040 ( 4.884 0.000 17.567) 18.233 1.179 ( 1.156 0.000 -11.504) 11.562 1.314 ( 7.745 0.000 -2.556) 8.156 1.335 ( 1.786 0.000 1.679) 2.452 1.413 ( 10.539 0.000 -7.303) 12.822 1.750 ( -2.636 -0.000 8.350) 8.756 1.801 ( -1.567 -0.000 -5.888) 6.093 2.016 ( -4.900 -0.000 28.179) 28.602 2.056 ( -6.371 -0.000 2.635) 6.895 2.140 ( -8.119 -0.000 -2.174) 8.405 2.311 ( 3.787 0.000 -2.888) 4.762 2.398 ( -3.192 -0.000 3.904) 5.043 2.479 ( 7.508 0.000 1.827) 7.727 2.582 ( 3.280 0.000 4.020) 5.188 2.688 ( 2.472 0.000 -18.955) 19.115 2.721 ( 0.682 0.000 7.547) 7.578 2.840 ( 0.870 0.000 -7.761) 7.809 2.847 ( 0.648 0.000 -0.431) 0.778 2.918 ( 2.902 0.000 -6.636) 7.243 3.061 ( 3.554 0.000 -1.773) 3.972 3.110 ( 0.949 0.000 -3.155) 3.294 3.313 ( -0.720 -0.000 0.458) 0.853 3.313 ( -0.701 -0.000 1.001) 1.222 3.839 ( -6.588 -0.000 1.845) 6.842 3.947 ( 2.442 0.000 2.353) 3.391 3.965 ( 1.035 0.000 0.094) 1.039 4.083 ( -2.484 -0.000 -0.763) 2.598 4.105 ( 3.916 0.000 1.705) 4.271 4.118 ( 1.193 0.000 -5.015) 5.155 4.150 ( 1.017 0.000 8.424) 8.485 4.220 ( -1.926 -0.000 -7.373) 7.620 4.409 ( -2.595 -0.000 4.732) 5.396 4.521 ( 1.255 0.000 7.878) 7.977 4.577 ( -2.499 -0.000 -6.467) 6.933 4.598 ( 0.379 0.000 -8.448) 8.457 4.737 ( -2.849 -0.000 -9.949) 10.349 4.848 ( 2.969 0.000 6.149) 6.828 5.099 ( -3.969 -0.000 7.204) 8.225 5.222 ( 1.431 0.000 1.235) 1.890 5.286 ( 1.113 0.000 5.224) 5.342 5.362 ( 0.603 0.000 -9.257) 9.276 5.695 ( -2.027 -0.000 4.792) 5.203 5.748 ( -1.715 -0.000 9.219) 9.377 5.862 ( -0.187 -0.000 -3.959) 3.963 5.928 ( -1.639 -0.000 -10.249) 10.379 5.965 ( -2.246 -0.000 -1.130) 2.514 6.023 ( 0.480 0.000 -1.712) 1.778 6.172 ( -2.615 -0.000 7.951) 8.370 6.282 ( -3.630 -0.000 -4.296) 5.624 6.656 ( 0.305 0.000 6.376) 6.384 6.697 ( -0.663 -0.000 -5.859) 5.896 6.959 ( -7.355 -0.000 0.381) 7.365 7.004 ( -9.471 -0.000 -1.131) 9.539 7.343 ( 10.146 0.000 -4.024) 10.914 7.370 ( 2.967 0.000 -2.097) 3.633 7.558 ( 2.953 0.000 3.642) 4.688 7.607 ( 1.473 0.000 0.015) 1.473 7.995 ( -0.804 -0.000 1.219) 1.460 8.023 ( 2.377 0.000 -2.345) 3.339 8.135 ( -3.119 -0.000 -3.497) 4.686 8.224 ( -0.364 -0.000 5.539) 5.551 8.368 ( 1.539 0.000 1.429) 2.100 8.495 ( 4.784 0.000 3.455) 5.901 8.560 ( -3.687 -0.000 -0.863) 3.786 8.675 ( -0.311 -0.000 -0.607) 0.682 8.856 ( -0.612 -0.000 2.870) 2.935 8.936 ( 0.563 0.000 -3.472) 3.517 11.943 ( -1.034 -0.000 1.666) 1.961 12.027 ( 1.619 0.000 -2.197) 2.730 12.207 ( 0.288 0.000 3.842) 3.853 12.229 ( -0.802 -0.000 -2.696) 2.813 15.452 ( -0.627 -0.000 -0.884) 1.084 15.469 ( 0.991 0.000 1.512) 1.808 15.882 ( -2.500 -0.000 0.742) 2.608 15.906 ( -0.493 -0.000 -1.254) 1.348 15.959 ( -0.282 -0.000 4.334) 4.344 16.037 ( 1.953 0.000 -3.285) 3.821 16.070 ( 4.359 0.000 1.317) 4.554 16.094 ( 1.537 0.000 -2.697) 3.104 16.381 ( -1.304 -0.000 -1.437) 1.940 16.439 ( 2.723 0.000 1.674) 3.196 16.937 ( -6.422 -0.000 1.544) 6.605 16.942 ( -8.768 -0.000 1.204) 8.850 ======================= Grid point 109 (53/72) ======================= q-point: ( 0.29 0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 3.758 -2.268 2.271) 4.942 1.113 ( 5.675 -2.082 13.114) 14.440 1.170 ( -2.079 -1.007 -3.808) 4.454 1.337 ( 10.694 1.757 -6.545) 12.660 1.421 ( 3.313 -2.120 3.642) 5.361 1.612 ( 9.388 -7.531 -5.464) 13.218 1.739 ( 0.984 2.533 7.113) 7.614 1.783 ( 1.428 -1.653 -6.394) 6.757 1.983 ( -4.543 -0.095 0.066) 4.545 2.072 ( -4.669 -5.460 17.457) 18.877 2.082 ( -5.733 -0.151 0.026) 5.735 2.298 ( 5.006 2.584 0.076) 5.633 2.358 ( -3.906 3.017 2.700) 5.626 2.538 ( 2.866 0.593 2.059) 3.579 2.572 ( 2.168 2.565 -1.689) 3.759 2.684 ( 1.537 4.353 5.349) 7.066 2.731 ( -1.636 2.839 0.878) 3.393 2.793 ( 2.699 3.451 -7.742) 8.895 2.838 ( 0.100 -3.807 -7.987) 8.849 2.925 ( 6.115 -0.473 -2.400) 6.586 3.121 ( 1.414 -0.173 -1.966) 2.428 3.162 ( 3.111 -3.911 -4.777) 6.914 3.276 ( -1.822 -0.262 3.860) 4.276 3.352 ( -2.143 -1.943 0.351) 2.914 3.789 ( -6.528 -0.261 3.111) 7.236 3.887 ( -0.410 3.341 1.540) 3.702 4.001 ( 1.863 1.607 -1.259) 2.764 4.047 ( -0.191 0.329 -2.830) 2.856 4.115 ( -6.013 0.350 -1.921) 6.323 4.172 ( 1.388 -2.668 3.940) 4.957 4.197 ( 4.661 -3.862 -1.202) 6.172 4.248 ( 1.764 -1.297 1.526) 2.669 4.415 ( -0.753 -2.983 2.805) 4.163 4.513 ( -2.944 2.462 0.110) 3.839 4.523 ( -0.991 1.309 1.436) 2.181 4.595 ( 0.323 -0.487 -7.941) 7.962 4.699 ( 1.465 1.177 -3.867) 4.299 4.889 ( 0.226 -1.454 4.058) 4.316 5.069 ( -2.521 0.580 5.168) 5.779 5.255 ( 3.176 -0.007 1.858) 3.680 5.297 ( 3.142 0.184 4.669) 5.631 5.350 ( 0.324 0.364 -9.460) 9.473 5.648 ( -1.411 2.087 2.262) 3.386 5.757 ( -4.044 0.305 -1.509) 4.327 5.804 ( 0.954 1.442 4.912) 5.208 5.883 ( -4.731 0.939 -7.154) 8.628 5.974 ( -2.871 -3.006 -3.512) 5.441 6.051 ( 0.065 -0.811 1.751) 1.931 6.210 ( -0.337 -4.922 3.285) 5.927 6.285 ( -3.450 -4.605 -2.256) 6.180 6.613 ( -0.729 4.958 4.314) 6.613 6.614 ( -1.412 5.746 -3.409) 6.829 6.886 ( -6.675 2.135 -0.536) 7.028 6.952 ( -5.709 -3.030 -0.993) 6.539 7.300 ( 1.939 5.294 0.319) 5.647 7.402 ( 4.361 2.739 -2.830) 5.876 7.605 ( 3.714 2.936 0.908) 4.820 7.641 ( 3.472 -2.498 -1.291) 4.468 7.912 ( 1.161 5.019 2.100) 5.563 7.989 ( 1.298 3.170 -3.811) 5.124 8.180 ( -1.720 -5.607 -1.566) 6.071 8.304 ( -3.847 -6.734 0.969) 7.816 8.396 ( 2.379 -0.549 2.804) 3.717 8.496 ( -3.589 1.283 6.484) 7.521 8.560 ( 5.487 0.352 -1.847) 5.800 8.664 ( 1.102 1.133 1.275) 2.030 8.858 ( -1.000 -0.559 1.432) 1.834 8.924 ( 0.087 1.172 -3.239) 3.445 11.947 ( -0.655 -0.921 1.866) 2.181 12.049 ( 1.224 -1.209 -2.401) 2.953 12.196 ( -0.194 1.576 2.747) 3.173 12.210 ( -0.228 1.128 -1.734) 2.081 15.459 ( -0.590 -1.762 1.264) 2.248 15.531 ( 0.756 -4.501 -0.862) 4.645 15.843 ( -2.300 1.645 1.762) 3.331 15.884 ( -0.783 1.414 -0.784) 1.796 15.969 ( 0.562 -0.199 3.897) 3.942 16.035 ( 1.979 1.224 -0.515) 2.383 16.083 ( 1.701 1.003 -2.203) 2.959 16.135 ( 3.338 -0.412 -2.790) 4.370 16.382 ( -0.565 -1.671 -0.786) 1.931 16.484 ( 2.651 -1.445 1.088) 3.209 16.811 ( -7.098 4.234 4.016) 9.189 16.853 ( -7.146 2.352 -1.512) 7.673 ======================= Grid point 110 (54/72) ======================= q-point: ( 0.43 0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.116 -3.366 -3.032) 4.665 1.185 ( -0.977 -2.834 0.579) 3.053 1.253 ( 3.786 -4.699 1.536) 6.227 1.405 ( 8.936 2.322 -1.568) 9.365 1.500 ( -0.186 -7.200 7.659) 10.513 1.662 ( 0.129 4.087 2.599) 4.845 1.736 ( 1.001 -1.223 -6.574) 6.761 1.910 ( 3.340 -4.828 -3.020) 6.602 2.008 ( 0.771 -0.730 -0.080) 1.064 2.029 ( 1.034 -0.040 -1.973) 2.228 2.170 ( 1.290 -4.748 7.378) 8.869 2.234 ( -2.985 4.776 0.538) 5.658 2.347 ( -0.804 -3.561 4.874) 6.090 2.448 ( 3.118 9.602 -3.022) 10.538 2.528 ( 0.691 3.203 0.358) 3.296 2.599 ( 0.108 5.284 -1.451) 5.481 2.657 ( -0.885 4.416 3.043) 5.435 2.686 ( -2.061 5.066 -0.591) 5.501 2.992 ( 1.724 -8.924 -4.892) 10.322 3.054 ( 8.010 -5.082 3.260) 10.031 3.108 ( 1.258 2.407 -2.826) 3.920 3.190 ( -0.809 1.046 -1.266) 1.831 3.288 ( -0.370 -0.917 0.415) 1.072 3.372 ( -3.175 -2.553 3.071) 5.102 3.731 ( -3.551 0.943 2.522) 4.457 3.859 ( -3.276 -1.723 -0.089) 3.703 3.909 ( -2.398 5.493 -2.204) 6.386 4.054 ( -2.553 0.068 -0.209) 2.563 4.097 ( 1.361 -2.999 -0.677) 3.362 4.222 ( 0.941 -0.887 2.817) 3.100 4.265 ( -0.335 0.930 1.487) 1.786 4.295 ( 2.526 -2.085 -0.887) 3.393 4.406 ( -3.108 0.982 -2.783) 4.286 4.491 ( -0.509 1.183 3.237) 3.484 4.540 ( 0.822 -4.906 2.707) 5.663 4.593 ( 1.739 0.793 -6.789) 7.053 4.705 ( 2.247 0.629 1.721) 2.899 4.930 ( 1.616 -2.154 2.845) 3.918 5.044 ( -2.257 0.670 2.133) 3.177 5.276 ( 3.857 0.665 1.453) 4.175 5.310 ( 0.261 1.735 -3.549) 3.959 5.377 ( 3.870 -2.313 -1.336) 4.703 5.623 ( -1.737 1.078 -1.069) 2.307 5.672 ( -0.992 1.333 -3.785) 4.133 5.786 ( -6.387 2.493 -2.447) 7.280 5.866 ( 0.715 -4.053 5.163) 6.603 5.987 ( -3.950 -1.870 -3.370) 5.519 6.074 ( 0.033 -2.554 -0.391) 2.583 6.327 ( 0.070 -5.909 0.907) 5.978 6.361 ( -1.298 -4.130 0.173) 4.333 6.488 ( -0.241 6.589 -0.796) 6.641 6.496 ( -1.351 4.357 0.578) 4.598 6.808 ( -3.899 0.298 2.124) 4.450 6.951 ( -3.928 -1.665 -2.820) 5.114 7.218 ( 2.231 5.691 1.441) 6.280 7.344 ( 1.602 5.622 0.676) 5.885 7.562 ( 2.605 3.716 -1.328) 4.728 7.673 ( 0.653 0.790 -2.787) 2.969 7.866 ( 2.380 2.100 0.782) 3.268 7.968 ( 0.935 0.306 -2.690) 2.864 8.263 ( -1.244 -4.544 -1.295) 4.886 8.374 ( -3.528 -4.274 -0.168) 5.544 8.429 ( 0.685 -0.796 1.542) 1.866 8.464 ( -1.363 -0.116 3.783) 4.022 8.577 ( 3.597 2.783 2.094) 5.007 8.682 ( 3.240 -0.746 2.684) 4.273 8.846 ( -1.619 1.391 -1.741) 2.754 8.897 ( -0.531 0.260 -0.891) 1.069 11.970 ( -0.284 -1.702 2.161) 2.765 12.083 ( 0.228 -1.930 -2.924) 3.511 12.161 ( -0.152 2.107 2.260) 3.093 12.176 ( 0.345 2.271 -1.265) 2.622 15.505 ( -0.543 -3.104 2.301) 3.902 15.626 ( 0.197 -4.755 -2.645) 5.445 15.792 ( -1.410 1.946 3.136) 3.951 15.847 ( -0.324 1.601 -0.926) 1.878 15.978 ( 0.382 0.417 3.779) 3.821 16.028 ( 0.985 1.164 1.342) 2.031 16.074 ( 1.390 0.865 -3.272) 3.659 16.134 ( 1.307 1.796 -3.913) 4.499 16.438 ( 0.996 -3.625 -0.339) 3.775 16.531 ( 1.830 -1.020 0.303) 2.117 16.689 ( -4.223 3.253 3.943) 6.631 16.749 ( -4.646 2.093 -2.268) 5.578 ======================= Grid point 111 (55/72) ======================= q-point: (-0.43 0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.446 -0.210 0.675) 0.836 1.223 ( 0.062 0.041 -2.360) 2.361 1.354 ( 0.981 -3.436 0.227) 3.580 1.435 ( 4.058 -0.129 2.255) 4.645 1.594 ( -1.067 3.036 -0.292) 3.231 1.652 ( -0.870 -3.744 3.314) 5.076 1.755 ( 0.305 -3.427 -0.655) 3.503 1.944 ( -4.256 -0.363 -2.549) 4.974 1.975 ( 3.367 1.127 -2.438) 4.308 2.095 ( 3.276 0.799 -0.122) 3.374 2.141 ( 3.230 4.710 -3.026) 6.463 2.237 ( 1.056 1.191 -3.035) 3.427 2.320 ( 1.343 4.441 0.627) 4.681 2.370 ( -0.213 5.585 3.114) 6.398 2.488 ( -1.354 -2.216 2.509) 3.611 2.505 ( -2.346 0.317 2.737) 3.618 2.569 ( -4.552 3.467 1.909) 6.032 2.632 ( 1.354 -1.497 -2.912) 3.543 3.055 ( 1.811 3.613 0.948) 4.151 3.095 ( -0.694 0.481 2.059) 2.225 3.176 ( 1.106 -1.776 -1.983) 2.883 3.224 ( 1.888 -1.835 0.820) 2.758 3.291 ( 2.931 -1.524 -0.639) 3.365 3.375 ( -4.017 -1.147 2.410) 4.823 3.729 ( 0.723 -2.075 2.876) 3.620 3.827 ( 0.650 0.347 -0.654) 0.985 3.874 ( -3.273 -2.564 -1.487) 4.416 4.027 ( -3.512 -0.402 1.197) 3.732 4.159 ( -0.824 3.548 -0.936) 3.761 4.197 ( -1.317 -3.171 1.322) 3.679 4.261 ( 1.953 -0.405 2.166) 2.945 4.326 ( -0.257 -0.537 -0.512) 0.786 4.401 ( 0.706 0.119 -1.119) 1.329 4.481 ( -2.390 -1.634 -0.944) 3.046 4.573 ( 3.783 3.060 -4.772) 6.815 4.612 ( -0.933 -2.043 0.322) 2.269 4.702 ( 1.476 2.017 5.762) 6.281 4.982 ( -2.470 0.385 0.637) 2.580 5.034 ( 3.899 -2.001 0.935) 4.482 5.268 ( -1.225 1.467 -2.393) 3.063 5.295 ( 2.577 1.443 1.636) 3.376 5.431 ( 1.636 0.447 -2.863) 3.328 5.563 ( -2.053 0.125 -0.584) 2.138 5.663 ( -2.047 1.032 -3.284) 4.005 5.743 ( 2.186 -2.116 0.002) 3.043 5.937 ( -2.006 -1.991 0.076) 2.827 6.009 ( -0.419 -4.678 0.860) 4.775 6.145 ( 0.354 -4.277 -4.166) 5.981 6.321 ( -0.910 4.027 4.565) 6.155 6.351 ( -0.479 5.319 3.464) 6.366 6.443 ( 1.203 -3.026 -3.862) 5.052 6.488 ( -1.328 -1.545 -2.146) 2.959 6.826 ( -1.753 -4.490 3.971) 6.245 6.952 ( -2.007 -2.573 -3.054) 4.470 7.124 ( 4.030 7.241 1.308) 8.390 7.251 ( -2.463 3.483 2.484) 4.936 7.536 ( 2.651 0.999 -3.415) 4.437 7.642 ( -1.504 1.004 -2.852) 3.377 7.863 ( 2.788 0.985 -0.641) 3.026 7.955 ( -1.328 1.016 -1.366) 2.159 8.318 ( -0.809 -2.129 1.252) 2.599 8.406 ( -0.642 -1.449 1.963) 2.523 8.445 ( -0.058 -0.465 -0.348) 0.583 8.488 ( -1.212 -3.017 -0.211) 3.258 8.544 ( 3.499 4.081 2.922) 6.119 8.735 ( 1.102 -0.699 2.693) 2.993 8.778 ( -1.172 2.442 -1.337) 3.020 8.900 ( -0.770 -0.908 -0.780) 1.423 12.011 ( 0.042 -2.252 2.432) 3.314 12.098 ( -1.049 0.557 -1.140) 1.646 12.125 ( -0.329 1.985 0.748) 2.147 12.146 ( 1.363 0.122 -1.985) 2.411 15.563 ( 0.260 -2.611 2.081) 3.349 15.672 ( -1.740 -0.353 -0.201) 1.787 15.774 ( 0.574 -0.274 0.063) 0.639 15.824 ( 0.321 0.236 -0.810) 0.903 15.973 ( -0.175 0.709 4.538) 4.597 16.009 ( -0.535 1.275 2.774) 3.100 16.070 ( 1.076 0.354 -3.914) 4.075 16.105 ( 0.605 1.157 -4.915) 5.086 16.496 ( -0.006 -0.650 1.424) 1.566 16.552 ( 1.010 0.310 -0.810) 1.331 16.646 ( -0.177 -1.396 1.511) 2.065 16.693 ( -2.249 -0.043 -0.817) 2.393 ======================= Grid point 112 (56/72) ======================= q-point: (-0.29 0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.756 3.229 -0.412) 3.342 1.166 ( -1.144 3.826 -0.426) 4.016 1.346 ( 2.665 7.754 5.347) 9.789 1.440 ( 2.554 3.170 2.049) 4.557 1.591 ( -0.588 -3.702 -1.072) 3.899 1.642 ( -2.051 0.526 -1.889) 2.838 1.790 ( -5.935 6.421 -1.636) 8.895 1.811 ( 1.300 5.920 -5.060) 7.895 2.035 ( 4.262 1.699 -3.101) 5.538 2.046 ( 0.893 -0.573 1.604) 1.923 2.141 ( -5.211 0.535 3.718) 6.423 2.169 ( 0.814 -4.750 -2.201) 5.297 2.316 ( 4.916 0.323 -0.575) 4.960 2.368 ( 2.668 -3.659 0.319) 4.540 2.433 ( -3.410 1.337 -2.773) 4.594 2.471 ( -5.376 -1.561 1.205) 5.727 2.640 ( 0.123 -5.910 3.790) 7.022 2.682 ( -0.033 -2.831 -0.389) 2.858 2.925 ( -2.860 10.032 11.696) 15.673 3.104 ( 3.420 0.020 -0.153) 3.423 3.148 ( -1.188 4.119 -4.709) 6.368 3.192 ( -0.728 2.437 -1.402) 2.905 3.375 ( -2.454 -1.089 3.944) 4.771 3.393 ( 3.344 -2.805 -1.328) 4.563 3.815 ( 3.149 -3.887 0.767) 5.061 3.877 ( -0.232 -2.299 -0.802) 2.445 3.901 ( 1.089 -2.981 0.670) 3.243 4.003 ( -4.087 -0.163 -0.017) 4.091 4.083 ( 2.732 2.604 1.627) 4.110 4.232 ( -5.388 -2.475 0.546) 5.955 4.289 ( 1.946 1.127 -1.228) 2.562 4.318 ( -0.971 0.153 -0.027) 0.983 4.398 ( 1.055 0.248 2.353) 2.590 4.492 ( -0.836 -0.687 -3.468) 3.633 4.539 ( 2.746 2.472 -2.194) 4.297 4.610 ( -1.896 0.052 -5.007) 5.354 4.693 ( 2.337 1.491 8.390) 8.836 4.928 ( -3.366 0.908 -4.349) 5.574 5.117 ( 3.737 -1.210 1.573) 4.231 5.227 ( -1.909 1.282 -0.307) 2.320 5.267 ( 0.084 2.662 3.644) 4.514 5.394 ( -1.020 1.187 -4.592) 4.852 5.587 ( 0.424 -2.097 1.331) 2.520 5.651 ( 0.855 -0.877 -4.145) 4.322 5.809 ( 3.051 -0.722 3.173) 4.461 5.950 ( -2.190 -2.313 -3.137) 4.470 6.080 ( 0.617 -0.076 1.089) 1.254 6.164 ( 0.981 2.545 -3.791) 4.671 6.295 ( 0.812 -2.626 5.733) 6.358 6.339 ( -0.338 -3.865 2.146) 4.433 6.445 ( -1.257 3.338 -0.224) 3.574 6.486 ( 0.496 -0.732 -4.794) 4.875 6.935 ( 0.455 -6.492 2.873) 7.114 7.012 ( -0.827 -4.786 -2.134) 5.305 7.055 ( 4.479 3.691 3.116) 6.588 7.182 ( -4.925 0.109 -0.009) 4.927 7.564 ( 3.590 -1.177 -4.438) 5.828 7.610 ( -2.909 -0.195 -2.341) 3.739 7.873 ( 2.529 0.691 -1.002) 2.807 7.904 ( -2.683 1.787 0.111) 3.225 8.330 ( 0.178 0.761 3.633) 3.716 8.427 ( 0.031 -0.053 5.531) 5.532 8.441 ( -0.740 0.093 -2.740) 2.840 8.505 ( 3.624 3.796 3.317) 6.209 8.542 ( -0.656 -3.567 -3.912) 5.335 8.660 ( -4.435 3.214 -1.905) 5.799 8.809 ( 2.331 -1.363 4.391) 5.155 8.909 ( -0.723 -0.913 -2.011) 2.324 12.046 ( -1.225 0.169 1.808) 2.190 12.061 ( 0.614 1.568 -0.038) 1.684 12.097 ( 0.686 0.179 1.409) 1.577 12.173 ( -0.133 -2.123 -3.150) 3.801 15.589 ( 0.719 1.665 1.656) 2.456 15.644 ( -1.341 0.691 -0.173) 1.518 15.779 ( 1.097 0.105 0.831) 1.380 15.847 ( -0.475 -1.978 -1.928) 2.803 15.968 ( -0.867 0.070 5.167) 5.240 15.990 ( -0.528 0.316 3.679) 3.730 16.067 ( 0.241 0.032 -3.967) 3.975 16.092 ( 0.879 0.281 -6.073) 6.143 16.477 ( 0.299 2.075 1.881) 2.816 16.527 ( -0.461 2.190 -1.120) 2.503 16.701 ( -0.671 -3.210 3.081) 4.500 16.740 ( 1.707 -5.511 -2.030) 6.116 ======================= Grid point 113 (57/72) ======================= q-point: (-0.14 0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.810 8.808 6.866) 11.516 1.103 ( 1.026 5.377 4.667) 7.194 1.217 ( -1.310 5.387 0.844) 5.608 1.341 ( -0.443 7.898 -6.832) 10.452 1.535 ( -2.921 9.244 -0.109) 9.695 1.584 ( 1.946 7.069 -2.340) 7.696 1.644 ( -0.422 -2.426 3.774) 4.506 1.778 ( 1.628 -2.141 -8.527) 8.941 2.063 ( -1.332 -2.234 0.931) 2.763 2.079 ( -0.106 -3.184 -0.471) 3.220 2.166 ( -1.010 -2.997 6.837) 7.533 2.240 ( 3.833 -0.412 -1.126) 4.016 2.338 ( -5.013 1.113 5.930) 7.844 2.444 ( 2.677 -2.086 -3.661) 4.992 2.505 ( 0.604 -8.491 0.371) 8.521 2.509 ( -2.092 -7.058 -0.121) 7.363 2.700 ( -2.770 0.504 8.195) 8.665 2.711 ( 1.283 3.927 5.833) 7.148 2.780 ( 0.620 -2.288 1.395) 2.751 3.019 ( 0.933 7.923 -11.727) 14.183 3.109 ( -0.764 0.826 -0.356) 1.180 3.155 ( 2.961 1.962 -3.175) 4.764 3.354 ( -2.806 1.421 5.522) 6.355 3.427 ( 0.730 1.148 -1.620) 2.115 3.884 ( -2.784 -0.892 0.059) 2.924 3.904 ( 0.969 -2.871 -2.060) 3.664 3.964 ( -1.995 0.593 1.127) 2.366 3.978 ( 3.035 -1.992 0.335) 3.646 4.104 ( 4.324 1.249 4.431) 6.316 4.220 ( -5.404 -1.769 -4.514) 7.261 4.246 ( 1.173 3.304 2.730) 4.444 4.297 ( -1.883 1.116 -3.050) 3.754 4.407 ( 2.567 1.580 6.455) 7.124 4.487 ( 0.622 0.336 1.283) 1.464 4.540 ( 0.865 -0.840 -3.659) 3.853 4.594 ( -0.928 -1.703 -11.409) 11.573 4.707 ( 0.326 -0.085 9.478) 9.484 4.886 ( -0.822 0.761 -7.219) 7.305 5.152 ( 0.028 -0.754 1.508) 1.687 5.178 ( -1.616 1.139 -1.001) 2.216 5.236 ( -0.001 1.076 7.194) 7.274 5.380 ( 0.283 -0.240 -5.834) 5.846 5.634 ( -0.572 -2.379 1.990) 3.154 5.692 ( 2.241 -2.766 -3.201) 4.787 5.820 ( 0.948 2.215 6.622) 7.047 5.961 ( -1.520 -1.259 -5.725) 6.055 6.053 ( 0.923 2.719 1.638) 3.306 6.113 ( -0.863 1.628 -4.065) 4.463 6.328 ( -1.590 6.163 3.515) 7.271 6.369 ( 2.338 1.687 -0.328) 2.902 6.443 ( 1.408 -7.498 4.741) 8.983 6.547 ( -1.044 -6.670 -5.468) 8.688 7.038 ( -5.172 -4.246 2.877) 7.284 7.069 ( 5.049 0.454 2.766) 5.775 7.106 ( 1.433 -5.225 -0.228) 5.423 7.174 ( -1.365 -3.317 -3.475) 4.994 7.582 ( -1.582 0.375 -0.842) 1.831 7.624 ( 2.128 -1.845 -4.228) 5.080 7.846 ( -2.024 0.418 2.679) 3.383 7.901 ( 2.158 -1.125 -2.508) 3.495 8.310 ( 1.279 2.789 4.458) 5.412 8.385 ( -2.201 3.073 -2.009) 4.281 8.441 ( 1.387 0.816 3.651) 3.990 8.470 ( 1.041 3.753 3.043) 4.942 8.568 ( -2.893 0.117 -0.746) 2.990 8.608 ( -0.939 -3.365 -3.708) 5.095 8.851 ( 1.074 -0.559 3.981) 4.161 8.918 ( -0.184 -0.886 -2.861) 3.001 12.002 ( -1.749 1.778 1.780) 3.065 12.041 ( 1.732 1.825 -2.147) 3.308 12.136 ( 0.588 -2.126 3.827) 4.417 12.207 ( -0.609 -2.136 -3.315) 3.990 15.533 ( -0.652 3.646 2.812) 4.650 15.602 ( 0.715 3.674 -4.250) 5.663 15.814 ( 0.708 -2.436 3.651) 4.445 15.870 ( -0.846 -1.679 -1.958) 2.715 15.964 ( -2.035 -0.286 5.146) 5.541 15.998 ( 0.125 -0.288 3.635) 3.649 16.063 ( 0.434 0.106 -4.199) 4.223 16.090 ( 1.473 0.239 -6.087) 6.268 16.444 ( 1.164 2.331 1.357) 2.938 16.470 ( -0.914 2.615 -1.264) 3.045 16.792 ( -1.013 -6.396 5.282) 8.356 16.868 ( 0.581 -6.675 -2.740) 7.238 ======================= Grid point 116 (58/72) ======================= q-point: ( 0.29 0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.770 0.000 2.996) 4.080 1.122 ( -2.838 -0.000 -1.355) 3.145 1.198 ( 6.406 0.000 10.515) 12.313 1.366 ( 1.280 0.000 0.075) 1.282 1.567 ( 17.087 0.000 -6.470) 18.271 1.570 ( 4.419 0.000 3.251) 5.486 1.752 ( -1.200 -0.000 -8.728) 8.810 1.809 ( 6.377 0.000 5.480) 8.408 1.955 ( -4.631 -0.000 2.927) 5.479 1.955 ( -7.495 -0.000 6.042) 9.627 2.065 ( 1.851 0.000 10.727) 10.886 2.348 ( -3.326 -0.000 4.392) 5.509 2.375 ( 3.112 0.000 -1.231) 3.347 2.550 ( -0.915 -0.000 -1.260) 1.557 2.640 ( 1.469 0.000 4.905) 5.121 2.699 ( 4.743 0.000 -16.658) 17.320 2.750 ( 0.364 0.000 6.019) 6.030 2.819 ( -2.954 -0.000 0.772) 3.053 2.856 ( 2.700 0.000 -5.735) 6.339 2.922 ( -1.800 -0.000 -7.335) 7.552 3.115 ( 0.896 0.000 -1.085) 1.407 3.161 ( 5.669 0.000 0.454) 5.687 3.287 ( -2.385 -0.000 1.055) 2.608 3.304 ( -0.104 -0.000 -0.292) 0.310 3.726 ( -5.982 -0.000 5.290) 7.986 3.990 ( -0.153 -0.000 -1.375) 1.384 3.999 ( 1.143 0.000 3.149) 3.350 4.034 ( -3.585 -0.000 -8.033) 8.796 4.054 ( 0.644 0.000 -0.732) 0.975 4.172 ( 4.147 0.000 -1.184) 4.313 4.186 ( 0.389 0.000 7.565) 7.575 4.271 ( 5.414 0.000 -0.050) 5.415 4.379 ( -1.666 -0.000 3.115) 3.532 4.482 ( -5.216 -0.000 -4.163) 6.674 4.554 ( -0.178 -0.000 6.439) 6.441 4.563 ( -1.719 -0.000 -7.403) 7.600 4.733 ( 5.188 0.000 -10.349) 11.577 4.869 ( -2.801 -0.000 9.782) 10.175 5.070 ( -1.722 -0.000 8.608) 8.778 5.281 ( 4.649 0.000 0.184) 4.653 5.346 ( 4.464 0.000 2.666) 5.199 5.352 ( 1.218 0.000 -10.022) 10.095 5.660 ( -3.502 -0.000 2.502) 4.305 5.708 ( -4.764 -0.000 1.923) 5.138 5.823 ( -3.113 -0.000 1.237) 3.350 5.839 ( -4.286 -0.000 -9.154) 10.107 5.921 ( -1.792 -0.000 1.054) 2.079 6.048 ( 2.110 0.000 -1.632) 2.667 6.152 ( -1.707 -0.000 5.577) 5.833 6.195 ( -3.663 -0.000 -3.574) 5.117 6.650 ( -2.826 -0.000 5.756) 6.412 6.669 ( -0.320 -0.000 -5.832) 5.841 6.848 ( -4.495 -0.000 0.593) 4.534 6.857 ( -5.663 -0.000 -1.247) 5.798 7.357 ( -2.123 -0.000 0.565) 2.197 7.433 ( 1.537 0.000 -5.911) 6.107 7.677 ( 7.327 0.000 1.232) 7.430 7.696 ( 7.453 0.000 0.823) 7.499 7.996 ( 0.787 0.000 0.803) 1.124 8.063 ( 2.877 0.000 -4.742) 5.546 8.068 ( -3.445 -0.000 -2.316) 4.151 8.171 ( -5.893 -0.000 3.345) 6.776 8.415 ( 1.581 0.000 3.052) 3.437 8.479 ( -3.907 -0.000 5.097) 6.423 8.620 ( 6.451 0.000 -1.717) 6.675 8.691 ( 1.807 0.000 3.230) 3.702 8.840 ( -1.613 -0.000 0.808) 1.804 8.933 ( 0.066 0.000 -3.775) 3.776 11.937 ( -0.136 -0.000 2.066) 2.071 12.042 ( 0.594 0.000 -2.686) 2.751 12.215 ( 0.181 0.000 -2.030) 2.038 12.215 ( -0.485 -0.000 3.311) 3.346 15.446 ( 0.200 0.000 -0.161) 0.257 15.487 ( 0.265 0.000 1.356) 1.382 15.834 ( -2.638 -0.000 2.030) 3.329 15.895 ( -0.349 -0.000 -1.855) 1.888 15.973 ( 0.182 0.000 4.680) 4.684 16.064 ( 1.909 0.000 -3.954) 4.391 16.121 ( 1.902 0.000 -1.406) 2.365 16.158 ( 4.479 0.000 -0.538) 4.512 16.364 ( 0.041 0.000 -0.763) 0.764 16.495 ( 2.501 0.000 1.833) 3.101 16.787 ( -8.046 -0.000 3.467) 8.761 16.792 ( -8.179 -0.000 -1.825) 8.380 ======================= Grid point 117 (59/72) ======================= q-point: ( 0.43 0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.092 -0.934 -1.268) 1.917 1.122 ( -1.604 -1.993 0.517) 2.610 1.256 ( 6.008 -0.352 5.275) 8.003 1.408 ( -1.416 -2.845 5.507) 6.358 1.567 ( 9.297 3.175 -0.685) 9.848 1.709 ( -2.390 2.029 -2.209) 3.835 1.729 ( 4.083 -1.188 -6.443) 7.720 1.848 ( -3.640 -1.720 -1.268) 4.221 1.939 ( 2.955 -4.041 7.085) 8.675 2.038 ( 4.168 -5.695 7.270) 10.132 2.119 ( 5.397 -0.625 2.771) 6.099 2.278 ( -4.431 3.991 2.613) 6.511 2.367 ( 1.424 2.490 -0.040) 2.869 2.526 ( -3.693 -0.204 -1.892) 4.155 2.607 ( 1.042 4.770 -0.748) 4.939 2.685 ( -2.060 4.722 -3.933) 6.482 2.724 ( 0.648 2.261 5.062) 5.582 2.799 ( 0.578 4.605 -4.704) 6.608 2.856 ( 2.927 -5.578 -5.289) 8.225 2.983 ( -0.705 -6.594 -3.211) 7.368 3.136 ( 2.946 -0.471 -0.149) 2.987 3.229 ( 3.420 -1.632 -1.078) 3.940 3.253 ( -1.512 0.718 2.326) 2.866 3.309 ( -2.341 -1.077 0.174) 2.582 3.696 ( -4.376 -0.904 6.235) 7.671 3.867 ( -2.459 5.214 -1.671) 6.003 3.983 ( -1.722 2.312 -4.867) 5.657 4.010 ( -2.828 2.424 2.333) 4.395 4.093 ( 4.674 -1.224 -1.473) 5.051 4.213 ( 0.824 -1.688 5.518) 5.829 4.250 ( 1.724 -1.927 -1.050) 2.790 4.324 ( 3.259 -1.738 0.404) 3.716 4.379 ( -3.013 1.661 -2.011) 3.985 4.450 ( -0.176 -3.909 1.163) 4.082 4.529 ( -1.282 2.364 4.300) 5.071 4.564 ( -0.888 -2.208 -6.134) 6.580 4.766 ( 5.533 1.032 -2.384) 6.113 4.882 ( -2.140 -3.002 5.203) 6.377 5.056 ( -0.947 1.179 7.335) 7.490 5.328 ( 2.811 0.890 -7.691) 8.237 5.338 ( 2.893 0.996 -2.022) 3.668 5.396 ( 6.146 -0.627 1.333) 6.320 5.609 ( -5.928 1.009 -0.867) 6.075 5.663 ( -2.792 -0.582 -0.031) 2.852 5.751 ( -6.363 2.005 -4.227) 7.898 5.834 ( 0.220 -1.902 2.032) 2.792 5.914 ( -1.652 -1.036 -1.087) 2.232 6.057 ( -0.175 0.658 -0.491) 0.839 6.201 ( -1.796 -6.193 2.306) 6.849 6.235 ( -0.495 -5.859 -2.060) 6.230 6.579 ( -2.503 4.587 2.880) 5.967 6.599 ( -0.412 5.216 -1.234) 5.375 6.798 ( -2.866 1.086 0.237) 3.074 6.864 ( -3.312 -3.213 -1.661) 4.905 7.312 ( 0.175 2.730 0.792) 2.848 7.419 ( -0.807 1.754 -3.197) 3.735 7.693 ( 4.862 5.375 0.492) 7.265 7.727 ( 4.455 3.134 -0.104) 5.448 7.942 ( 1.724 3.491 0.102) 3.895 7.987 ( -0.528 1.968 -2.995) 3.622 8.161 ( 0.260 -5.266 -2.568) 5.864 8.216 ( -5.335 -7.025 1.204) 8.903 8.430 ( 0.525 -0.226 2.156) 2.231 8.455 ( -2.255 -0.045 4.626) 5.146 8.661 ( 4.737 1.502 1.192) 5.111 8.713 ( 3.288 0.277 3.024) 4.475 8.831 ( -1.936 -0.630 -0.420) 2.078 8.909 ( -0.681 1.544 -3.589) 3.966 11.949 ( 0.246 -0.834 2.313) 2.471 12.050 ( -0.221 -1.033 -3.161) 3.332 12.197 ( -0.433 1.480 2.355) 2.815 12.210 ( 0.536 0.997 -0.982) 1.499 15.461 ( 0.334 -1.511 1.735) 2.325 15.534 ( -0.291 -4.104 -1.014) 4.237 15.807 ( -1.890 0.919 3.247) 3.868 15.875 ( 0.025 1.286 -2.019) 2.394 15.984 ( -0.102 -0.245 4.280) 4.289 16.065 ( 1.548 1.010 -2.982) 3.508 16.113 ( 1.943 1.864 -1.169) 2.935 16.179 ( 1.678 1.666 -2.481) 3.427 16.393 ( 2.080 -2.386 0.745) 3.252 16.528 ( 1.226 -1.049 1.246) 2.039 16.697 ( -5.474 1.879 1.525) 5.985 16.721 ( -5.942 0.627 -1.072) 6.071 ======================= Grid point 118 (60/72) ======================= q-point: ( 0.57 0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.021 -2.371 0.427) 2.409 1.168 ( -0.175 -3.956 -0.457) 3.986 1.329 ( 4.191 -1.032 1.152) 4.467 1.428 ( -4.075 -2.079 4.135) 6.166 1.616 ( 2.579 1.477 -1.894) 3.524 1.653 ( 2.582 0.746 1.986) 3.342 1.738 ( -0.038 -0.020 -1.004) 1.005 1.857 ( -2.584 -3.513 -4.185) 6.044 2.020 ( 0.547 0.926 3.574) 3.732 2.132 ( 0.711 1.131 3.166) 3.436 2.202 ( 5.955 0.051 -5.807) 8.318 2.265 ( 3.995 -7.182 9.410) 12.493 2.321 ( -1.914 2.062 -1.589) 3.231 2.444 ( -3.955 5.413 1.067) 6.788 2.520 ( -1.818 3.466 1.333) 4.135 2.598 ( 1.351 2.645 -5.286) 6.063 2.648 ( -1.592 6.064 1.757) 6.511 2.656 ( 0.629 8.987 -2.888) 9.460 3.009 ( 1.075 -6.919 0.491) 7.019 3.087 ( -2.059 -4.685 -3.363) 6.123 3.206 ( 7.317 -1.417 -0.013) 7.453 3.217 ( 2.768 1.857 0.347) 3.351 3.279 ( -0.861 -1.197 -0.486) 1.553 3.310 ( -4.272 -1.688 1.279) 4.768 3.696 ( -1.725 -1.569 5.341) 5.828 3.794 ( -2.336 -0.430 -2.267) 3.284 3.878 ( 0.060 4.806 0.173) 4.810 3.958 ( -5.580 -0.835 -0.197) 5.645 4.162 ( 4.037 -1.212 0.623) 4.261 4.229 ( -0.968 2.400 0.418) 2.621 4.276 ( 1.002 -0.362 1.278) 1.664 4.316 ( -1.789 -0.923 -2.215) 2.994 4.383 ( 2.939 -0.952 -0.575) 3.142 4.463 ( -2.537 2.049 -0.096) 3.262 4.551 ( -0.691 -3.229 2.997) 4.459 4.602 ( 1.314 -2.168 -3.421) 4.258 4.784 ( 3.958 2.043 5.880) 7.377 4.938 ( -2.434 -2.795 -0.066) 3.707 5.047 ( 2.339 -0.174 4.760) 5.307 5.280 ( -1.150 2.212 -8.267) 8.634 5.361 ( 4.632 1.473 0.570) 4.894 5.460 ( 2.173 0.655 -1.721) 2.848 5.533 ( -3.048 -0.423 -0.479) 3.114 5.646 ( -6.763 0.723 -2.636) 7.294 5.717 ( 4.322 -2.633 1.017) 5.162 5.872 ( -3.218 -1.992 -2.559) 4.569 5.939 ( 1.481 -2.709 2.235) 3.811 6.062 ( -0.673 -2.732 -3.661) 4.617 6.309 ( -2.083 -5.224 4.060) 6.936 6.357 ( 0.474 -6.395 -1.690) 6.631 6.462 ( -2.550 5.979 3.628) 7.444 6.497 ( 1.788 4.761 -3.232) 6.026 6.775 ( -0.716 -0.634 3.500) 3.628 6.883 ( -2.214 -2.175 -3.705) 4.833 7.265 ( 2.618 4.007 1.192) 4.932 7.335 ( -2.015 5.532 0.109) 5.888 7.601 ( 0.200 4.949 2.663) 5.623 7.680 ( 1.872 3.880 -5.827) 7.247 7.916 ( 2.564 1.672 -0.516) 3.104 7.960 ( -0.900 0.986 -2.169) 2.546 8.253 ( 0.208 -4.236 -0.010) 4.241 8.301 ( -3.401 -6.200 -0.618) 7.099 8.442 ( -0.976 -0.125 3.527) 3.662 8.455 ( 0.545 -0.989 1.310) 1.729 8.654 ( 3.213 3.233 3.996) 6.061 8.745 ( 1.779 0.189 1.771) 2.518 8.812 ( -0.299 1.328 -2.449) 2.802 8.872 ( -1.811 0.044 -1.688) 2.476 11.979 ( 0.476 -1.599 2.610) 3.097 12.065 ( -0.872 -1.523 -3.491) 3.908 12.160 ( -0.923 2.067 2.891) 3.671 12.188 ( 1.368 1.885 -1.765) 2.922 15.514 ( 0.648 -3.079 3.112) 4.425 15.607 ( -1.133 -4.005 -3.196) 5.248 15.782 ( -0.678 0.746 4.061) 4.185 15.848 ( 0.650 1.468 -2.247) 2.762 15.986 ( -0.659 0.395 4.354) 4.421 16.044 ( 0.313 1.962 -0.268) 2.004 16.094 ( 1.518 1.450 -2.641) 3.374 16.135 ( -0.042 2.353 -3.597) 4.298 16.472 ( 2.053 -2.551 1.929) 3.801 16.552 ( 0.119 -1.167 -0.993) 1.537 16.638 ( -1.914 0.896 2.322) 3.139 16.668 ( -2.648 0.327 -1.564) 3.093 ======================= Grid point 119 (61/72) ======================= q-point: (-0.29 0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.711 -0.007 1.997) 2.120 1.212 ( -0.419 -0.163 -1.862) 1.915 1.396 ( 1.052 -4.268 5.311) 6.894 1.475 ( -1.269 -4.882 -1.404) 5.236 1.522 ( -4.190 4.947 3.132) 7.200 1.668 ( 3.513 2.258 -9.174) 10.080 1.789 ( 1.568 -2.666 7.090) 7.735 1.882 ( -0.965 0.269 -2.420) 2.619 2.026 ( 2.039 -2.074 1.393) 3.225 2.098 ( -1.745 2.065 -5.563) 6.185 2.172 ( -2.790 7.116 1.512) 7.792 2.248 ( 3.450 4.748 -5.475) 8.027 2.348 ( -1.847 1.380 2.794) 3.622 2.379 ( 1.498 0.735 -0.427) 1.722 2.466 ( -2.876 6.967 0.500) 7.554 2.482 ( 2.547 3.542 1.159) 4.514 2.526 ( 0.438 -2.948 5.217) 6.008 2.637 ( 0.021 -2.164 -3.503) 4.117 3.059 ( -0.680 2.650 5.794) 6.407 3.124 ( -0.445 -0.225 0.067) 0.503 3.190 ( -0.689 2.469 0.102) 2.566 3.232 ( 1.935 1.961 -3.766) 4.666 3.317 ( -2.427 -2.418 2.116) 4.027 3.346 ( 2.637 -4.697 -1.650) 5.633 3.747 ( -1.792 -4.241 4.554) 6.476 3.817 ( 0.169 -2.803 -2.800) 3.966 3.878 ( 3.634 -2.015 3.602) 5.499 3.932 ( -4.784 -1.920 -1.135) 5.278 4.163 ( 0.861 2.555 0.973) 2.867 4.183 ( 0.262 1.282 -0.718) 1.493 4.310 ( 1.207 -0.526 0.223) 1.336 4.316 ( -1.059 -0.255 -0.685) 1.287 4.413 ( 1.346 0.295 -1.214) 1.836 4.430 ( -1.242 -2.056 -2.098) 3.190 4.559 ( -3.373 0.446 3.231) 4.692 4.636 ( 2.705 0.588 -3.984) 4.851 4.782 ( 3.881 2.972 8.846) 10.107 4.907 ( -4.549 0.814 -2.978) 5.498 5.124 ( 3.765 -2.017 2.927) 5.178 5.221 ( -2.364 0.739 -4.810) 5.410 5.341 ( 0.392 3.679 2.339) 4.377 5.406 ( -1.598 1.935 -3.710) 4.479 5.559 ( 0.392 -1.462 1.283) 1.984 5.627 ( 0.902 -1.773 -4.152) 4.604 5.813 ( 3.430 -1.948 1.060) 4.084 5.866 ( -3.292 -2.935 -3.034) 5.353 6.032 ( 1.196 -4.160 3.298) 5.441 6.136 ( 0.343 -5.200 -6.126) 8.043 6.321 ( -0.391 3.567 4.605) 5.838 6.336 ( -2.341 3.202 4.732) 6.174 6.461 ( 1.119 -0.002 -2.627) 2.855 6.464 ( 0.583 -2.932 -3.656) 4.722 6.830 ( 0.603 -4.641 4.786) 6.694 6.914 ( -0.826 -3.476 -3.654) 5.110 7.193 ( -3.779 5.987 2.154) 7.400 7.206 ( 3.861 5.286 0.824) 6.597 7.552 ( -1.440 0.193 0.614) 1.578 7.625 ( 2.115 2.368 -6.573) 7.300 7.911 ( -2.710 1.813 -0.749) 3.346 7.918 ( 2.982 1.012 -1.300) 3.407 8.318 ( -0.190 -2.392 3.352) 4.122 8.382 ( -1.079 -4.388 -2.413) 5.123 8.431 ( -2.137 0.109 4.089) 4.615 8.492 ( 1.600 -1.353 -0.891) 2.277 8.618 ( 2.003 3.722 4.527) 6.193 8.691 ( -2.454 3.826 -2.409) 5.145 8.824 ( 3.277 -0.279 2.209) 3.962 8.868 ( -2.148 -1.576 -2.099) 3.391 12.021 ( 0.247 -1.798 2.824) 3.357 12.077 ( -0.625 -0.568 -1.905) 2.084 12.119 ( -0.699 1.277 1.345) 1.983 12.163 ( 1.074 1.570 -2.210) 2.916 15.588 ( 1.371 -3.042 2.951) 4.454 15.631 ( -1.819 -0.181 -1.050) 2.108 15.789 ( 0.518 -1.093 0.944) 1.534 15.825 ( 0.308 1.156 -2.229) 2.529 15.972 ( -1.362 0.699 5.214) 5.434 16.007 ( -0.423 1.427 2.350) 2.782 16.076 ( 0.679 1.084 -3.232) 3.476 16.101 ( 0.570 0.814 -5.316) 5.408 16.503 ( -0.058 0.025 3.087) 3.087 16.562 ( 0.311 1.228 -2.723) 3.003 16.651 ( -0.472 -1.485 1.044) 1.876 16.661 ( 0.197 -3.021 -0.111) 3.029 ======================= Grid point 120 (62/72) ======================= q-point: (-0.14 0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.188 2.148 0.156) 2.162 1.188 ( 2.325 2.659 -1.812) 3.970 1.372 ( -1.973 7.456 4.526) 8.942 1.469 ( -1.960 5.839 -4.188) 7.448 1.521 ( -1.904 -6.086 6.947) 9.430 1.691 ( 5.018 -1.754 -5.263) 7.481 1.714 ( -1.235 10.529 1.030) 10.651 1.849 ( 4.431 5.349 -5.822) 9.063 1.998 ( -6.022 -0.906 0.496) 6.110 2.055 ( -0.851 0.550 1.646) 1.933 2.130 ( 4.353 -2.502 0.063) 5.022 2.242 ( 4.735 1.082 -3.499) 5.986 2.316 ( -4.757 -2.312 -0.542) 5.317 2.357 ( -4.776 -5.207 -0.147) 7.067 2.407 ( 3.834 2.888 0.983) 4.899 2.483 ( 5.125 -0.569 -0.740) 5.209 2.638 ( -1.731 -5.302 4.275) 7.027 2.668 ( -1.462 -2.170 0.690) 2.706 2.955 ( 2.512 8.741 11.182) 14.413 3.093 ( -2.908 0.161 -0.458) 2.948 3.130 ( 0.375 4.222 -4.938) 6.508 3.221 ( 3.302 1.915 -3.428) 5.130 3.328 ( -4.008 -1.371 5.037) 6.581 3.428 ( 0.600 -1.726 -0.707) 1.959 3.799 ( -4.463 -3.396 1.745) 5.874 3.868 ( 1.165 -1.847 -0.445) 2.228 3.927 ( -3.299 -2.714 -0.859) 4.357 3.987 ( 5.574 -1.919 1.143) 6.005 4.131 ( -3.731 0.428 -1.531) 4.056 4.183 ( 5.384 0.502 2.155) 5.821 4.288 ( -2.051 0.683 -0.410) 2.201 4.315 ( 1.414 1.494 0.376) 2.091 4.445 ( 2.742 -0.649 2.448) 3.733 4.466 ( -1.211 -2.443 -2.006) 3.385 4.505 ( -4.089 -0.177 -1.515) 4.365 4.609 ( 2.017 3.759 -4.684) 6.335 4.755 ( -0.190 3.109 6.952) 7.618 4.873 ( 0.371 -0.586 -4.315) 4.371 5.140 ( -2.881 0.611 0.815) 3.056 5.210 ( 1.869 0.737 -1.311) 2.399 5.274 ( -0.864 2.222 5.607) 6.092 5.376 ( 0.742 0.582 -4.151) 4.256 5.601 ( 0.685 -1.877 0.463) 2.051 5.662 ( 1.396 -1.281 -5.462) 5.781 5.844 ( -1.990 -2.050 2.566) 3.840 5.908 ( 0.462 -0.642 -2.272) 2.406 6.078 ( -1.568 -0.142 3.030) 3.415 6.161 ( 0.137 3.307 -5.017) 6.010 6.327 ( 0.443 -4.721 5.774) 7.471 6.335 ( -0.539 -4.816 1.386) 5.041 6.427 ( -0.051 3.536 -1.785) 3.961 6.494 ( 1.589 0.552 -3.985) 4.325 6.932 ( -2.710 -2.661 3.286) 5.022 6.997 ( 1.171 -7.262 -0.289) 7.361 7.081 ( -4.071 1.097 0.042) 4.217 7.174 ( 5.225 1.730 0.900) 5.578 7.542 ( -2.524 -0.995 -2.755) 3.866 7.627 ( 3.420 -0.322 -3.709) 5.056 7.852 ( -2.251 1.481 0.782) 2.806 7.927 ( 2.933 0.859 -1.826) 3.560 8.352 ( 0.855 -0.106 5.021) 5.094 8.398 ( -2.622 0.718 -1.355) 3.037 8.437 ( -0.250 -1.326 3.583) 3.828 8.523 ( -0.722 -1.175 -3.145) 3.434 8.566 ( -2.353 2.098 0.030) 3.153 8.604 ( 2.950 4.026 2.383) 5.531 8.856 ( 0.822 -0.584 2.115) 2.343 8.883 ( -0.532 -1.599 -2.067) 2.667 12.023 ( -1.419 1.571 2.066) 2.958 12.085 ( 1.643 0.299 -0.538) 1.755 12.113 ( 0.435 -0.643 1.904) 2.056 12.157 ( -0.621 -1.423 -3.392) 3.731 15.589 ( -1.498 2.700 1.788) 3.568 15.645 ( 1.917 -0.423 -0.641) 2.065 15.797 ( -0.421 0.601 1.030) 1.265 15.828 ( -0.125 -2.078 -2.116) 2.968 15.954 ( -1.531 0.351 5.775) 5.985 16.000 ( 0.066 -0.097 3.647) 3.649 16.062 ( 0.389 0.282 -3.608) 3.640 16.095 ( 1.380 -0.144 -6.282) 6.433 16.493 ( 0.501 1.795 1.286) 2.265 16.520 ( 0.365 2.579 -1.583) 3.048 16.684 ( -2.016 -3.728 3.673) 5.608 16.752 ( 0.096 -5.136 -1.983) 5.506 ======================= Grid point 124 (63/72) ======================= q-point: ( 0.43 0.43 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.439 -0.000 -0.522) 0.682 1.102 ( -0.481 -0.000 -0.492) 0.688 1.323 ( 3.970 0.000 6.796) 7.871 1.379 ( -0.194 -0.000 3.502) 3.507 1.629 ( 1.075 0.000 6.284) 6.375 1.715 ( 0.268 0.000 -8.803) 8.807 1.755 ( 1.566 0.000 -1.756) 2.353 1.763 ( -7.605 -0.000 0.060) 7.605 1.997 ( 4.371 0.000 13.820) 14.495 2.012 ( 10.518 0.000 0.107) 10.518 2.175 ( 5.607 0.000 -0.379) 5.620 2.317 ( -0.370 -0.000 3.798) 3.816 2.391 ( -1.412 -0.000 -0.747) 1.598 2.464 ( -6.263 -0.000 -7.454) 9.736 2.655 ( -1.788 -0.000 4.742) 5.068 2.735 ( -1.856 -0.000 -1.138) 2.178 2.764 ( 1.190 0.000 -6.509) 6.617 2.775 ( 0.616 0.000 5.228) 5.264 2.830 ( -3.515 -0.000 -5.901) 6.869 2.896 ( 2.869 0.000 -6.012) 6.662 3.151 ( 3.179 0.000 -0.304) 3.194 3.199 ( -2.219 -0.000 1.029) 2.446 3.274 ( 1.383 0.000 0.120) 1.389 3.301 ( -0.384 -0.000 -0.092) 0.395 3.669 ( -2.018 -0.000 8.539) 8.774 3.875 ( -4.922 -0.000 -7.114) 8.651 3.998 ( -2.621 -0.000 7.161) 7.626 4.081 ( 4.606 0.000 -3.634) 5.867 4.107 ( 3.862 0.000 0.584) 3.906 4.214 ( 0.618 0.000 5.822) 5.854 4.241 ( 1.954 0.000 -4.035) 4.483 4.286 ( -2.825 -0.000 -1.523) 3.210 4.376 ( 1.323 0.000 0.905) 1.603 4.424 ( -1.104 -0.000 -0.280) 1.139 4.538 ( 3.288 0.000 -6.543) 7.322 4.544 ( -2.546 -0.000 3.519) 4.344 4.809 ( -6.548 -0.000 9.237) 11.323 4.837 ( 8.014 0.000 -7.944) 11.284 5.074 ( -1.156 -0.000 10.832) 10.894 5.344 ( 1.270 0.000 -11.923) 11.990 5.394 ( 7.013 0.000 0.875) 7.067 5.443 ( 3.591 0.000 1.316) 3.825 5.560 ( -5.873 -0.000 0.084) 5.874 5.600 ( -6.101 -0.000 -2.114) 6.457 5.749 ( -4.791 -0.000 1.149) 4.927 5.777 ( 1.025 0.000 -7.250) 7.323 5.927 ( 1.119 0.000 6.100) 6.201 6.078 ( 1.257 0.000 -2.694) 2.973 6.132 ( -1.850 -0.000 2.802) 3.358 6.144 ( -0.568 -0.000 -3.294) 3.343 6.598 ( -3.909 -0.000 5.599) 6.829 6.661 ( 1.289 0.000 -4.846) 5.015 6.790 ( -1.513 -0.000 -0.380) 1.560 6.793 ( -1.903 -0.000 0.754) 2.047 7.330 ( -0.824 -0.000 1.635) 1.830 7.420 ( -0.337 -0.000 -6.038) 6.047 7.806 ( 6.101 0.000 0.427) 6.116 7.821 ( 3.643 0.000 3.311) 4.923 7.991 ( -2.427 -0.000 -3.423) 4.196 8.033 ( -8.220 -0.000 0.290) 8.225 8.038 ( 2.747 0.000 1.124) 2.968 8.107 ( 1.826 0.000 -3.352) 3.817 8.433 ( -0.178 -0.000 2.808) 2.814 8.440 ( -1.582 -0.000 3.761) 4.080 8.719 ( 4.109 0.000 -0.266) 4.118 8.750 ( 2.599 0.000 6.082) 6.614 8.802 ( -2.310 -0.000 -1.451) 2.728 8.914 ( -0.725 -0.000 -4.855) 4.909 11.949 ( 0.640 0.000 2.509) 2.589 12.032 ( -0.597 -0.000 -3.335) 3.388 12.207 ( -1.241 -0.000 2.776) 3.041 12.225 ( 1.260 0.000 -1.293) 1.806 15.459 ( 1.050 0.000 0.444) 1.140 15.483 ( -0.892 -0.000 0.638) 1.096 15.806 ( -1.117 -0.000 3.447) 3.624 15.882 ( -0.343 -0.000 -2.669) 2.691 15.987 ( -0.103 -0.000 4.633) 4.634 16.081 ( 1.095 0.000 -4.390) 4.525 16.152 ( 1.630 0.000 -0.218) 1.644 16.209 ( 1.174 0.000 -3.000) 3.222 16.398 ( 3.973 0.000 2.039) 4.466 16.514 ( -2.522 -0.000 1.588) 2.980 16.670 ( -5.739 -0.000 3.316) 6.628 16.678 ( -1.367 -0.000 -3.639) 3.887 ======================= Grid point 125 (64/72) ======================= q-point: (-0.43 -0.57 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.586 -1.324 1.509) 2.559 1.123 ( 1.212 -2.252 -2.064) 3.287 1.361 ( -2.919 -0.583 5.665) 6.399 1.375 ( 2.933 0.656 2.917) 4.188 1.627 ( -2.839 1.216 1.710) 3.530 1.708 ( -3.428 -0.173 -0.899) 3.548 1.724 ( 1.432 0.256 -1.563) 2.136 1.762 ( -0.332 -3.410 -1.371) 3.690 2.041 ( 3.356 -0.720 8.994) 9.627 2.120 ( -1.369 -0.189 0.492) 1.467 2.243 ( 5.293 -3.513 3.736) 7.370 2.285 ( 4.194 3.358 2.353) 5.866 2.350 ( -0.785 2.511 -3.550) 4.419 2.408 ( -6.654 -1.540 -5.615) 8.842 2.575 ( -3.227 3.831 2.793) 5.735 2.687 ( 3.453 5.322 -7.687) 9.967 2.733 ( -1.162 3.090 4.370) 5.477 2.794 ( -0.538 3.211 -2.501) 4.106 2.873 ( -1.005 -8.775 0.405) 8.841 2.944 ( 0.098 -3.791 -4.131) 5.607 3.201 ( -2.192 -2.426 0.997) 3.418 3.226 ( 4.999 -3.157 -1.364) 6.068 3.268 ( -2.417 0.945 0.207) 2.604 3.287 ( 2.115 0.847 -1.025) 2.499 3.673 ( -0.210 -0.220 8.926) 8.931 3.805 ( -1.981 2.014 -3.995) 4.893 3.940 ( -3.730 3.303 3.779) 6.253 4.010 ( 2.231 6.903 -1.891) 7.497 4.181 ( 4.102 -1.718 1.379) 4.656 4.227 ( -6.342 -1.799 -3.299) 7.372 4.240 ( 1.233 -0.765 3.270) 3.577 4.282 ( 1.628 0.168 -2.397) 2.902 4.430 ( 1.902 -0.462 1.320) 2.361 4.459 ( -0.466 -2.393 -1.297) 2.761 4.506 ( -0.751 -0.508 2.193) 2.373 4.564 ( 3.284 -0.450 -4.594) 5.665 4.790 ( -5.579 -3.103 6.699) 9.254 4.902 ( 5.391 -0.031 -4.615) 7.097 5.070 ( -0.427 0.239 9.980) 9.992 5.310 ( -0.208 2.573 -11.320) 11.611 5.419 ( -1.484 1.228 1.762) 2.610 5.466 ( 1.655 0.895 -2.295) 2.968 5.536 ( 4.881 -0.599 1.554) 5.158 5.563 ( -7.002 -1.092 -1.649) 7.276 5.724 ( 1.373 -1.445 0.897) 2.186 5.804 ( -0.285 -1.372 -6.157) 6.315 5.946 ( 3.350 -0.012 4.533) 5.637 6.034 ( -1.507 1.387 -3.818) 4.333 6.188 ( -0.227 -5.469 2.359) 5.961 6.227 ( -0.123 -6.649 -1.646) 6.851 6.537 ( -2.900 3.646 4.812) 6.698 6.611 ( 2.206 4.977 -2.439) 5.965 6.777 ( 0.147 0.409 1.864) 1.914 6.820 ( -0.734 -2.571 -2.149) 3.430 7.328 ( 1.225 0.459 1.613) 2.076 7.387 ( -1.117 2.433 -4.030) 4.838 7.727 ( -2.584 7.921 4.075) 9.275 7.795 ( 2.977 5.638 -3.242) 7.152 7.947 ( -2.319 0.464 0.595) 2.438 7.976 ( 0.719 0.967 -2.390) 2.677 8.141 ( -1.652 -6.165 1.038) 6.466 8.180 ( 2.228 -4.893 -2.421) 5.896 8.430 ( -1.623 0.060 3.822) 4.153 8.449 ( 1.081 -0.982 1.796) 2.315 8.726 ( 0.672 1.771 3.598) 4.066 8.779 ( 1.799 1.080 0.546) 2.169 8.791 ( -1.186 -1.623 0.376) 2.045 8.883 ( -0.371 1.674 -4.904) 5.195 11.967 ( 0.832 -0.767 2.718) 2.944 12.029 ( -0.837 -0.861 -3.518) 3.717 12.186 ( -1.426 1.287 2.705) 3.317 12.227 ( 1.401 0.989 -1.416) 2.224 15.477 ( 0.451 -1.613 2.379) 2.910 15.520 ( -0.347 -3.605 -1.888) 4.084 15.797 ( -0.406 0.748 4.199) 4.284 15.869 ( 0.134 0.623 -2.890) 2.959 15.991 ( -0.581 0.136 4.459) 4.499 16.073 ( 0.334 1.019 -3.481) 3.643 16.144 ( 1.428 2.048 -0.418) 2.532 16.176 ( -0.832 2.670 -3.331) 4.349 16.461 ( 3.058 -1.300 3.075) 4.527 16.502 ( -2.323 -2.280 -0.831) 3.359 16.625 ( -3.999 0.086 2.847) 4.910 16.676 ( 2.628 0.753 -2.203) 3.511 ======================= Grid point 126 (65/72) ======================= q-point: (-0.29 -0.57 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -3.225 -3.410 2.316) 5.234 1.182 ( 0.825 -2.309 -0.748) 2.564 1.304 ( -8.099 -1.958 4.702) 9.568 1.420 ( 2.544 -0.196 2.061) 3.280 1.567 ( -2.512 2.565 1.556) 3.913 1.678 ( -4.288 -2.706 1.037) 5.175 1.771 ( 4.351 -1.545 -3.580) 5.842 1.845 ( 2.271 -3.181 -1.476) 4.178 2.042 ( -1.039 2.730 2.251) 3.688 2.119 ( -0.868 -3.517 1.595) 3.959 2.203 ( -4.150 4.447 -4.178) 7.379 2.286 ( -1.957 3.882 0.717) 4.406 2.386 ( 1.500 -3.982 4.965) 6.539 2.425 ( 3.969 -1.849 1.454) 4.613 2.468 ( -0.808 6.147 -0.680) 6.237 2.601 ( 0.085 5.102 -1.135) 5.228 2.622 ( -1.277 4.995 -3.024) 5.977 2.691 ( 3.102 7.538 -1.553) 8.298 3.011 ( -3.682 -5.570 0.025) 6.677 3.040 ( -0.257 -7.140 1.339) 7.269 3.209 ( -4.821 0.595 -0.202) 4.862 3.228 ( -2.343 -1.566 -1.149) 3.044 3.281 ( 1.453 1.378 -0.579) 2.084 3.341 ( 6.386 -2.225 -1.758) 6.987 3.691 ( 0.173 -0.404 6.429) 6.444 3.789 ( 1.980 -1.055 -1.504) 2.701 3.856 ( -2.491 0.974 1.184) 2.925 3.947 ( 4.261 2.508 0.870) 5.020 4.181 ( -3.557 -0.383 -1.225) 3.782 4.236 ( 2.811 1.839 0.160) 3.363 4.268 ( -1.862 -1.273 1.423) 2.667 4.295 ( 0.701 -1.633 -0.156) 1.784 4.403 ( -2.407 0.407 -2.504) 3.497 4.454 ( 2.428 1.609 0.228) 2.922 4.548 ( -0.081 -0.286 3.257) 3.270 4.625 ( 2.148 -2.885 -4.150) 5.492 4.824 ( -4.400 -3.756 1.074) 5.883 4.893 ( 1.141 3.386 4.524) 5.765 5.122 ( 3.237 -2.608 4.689) 6.266 5.221 ( -2.593 3.240 -9.626) 10.483 5.359 ( -5.228 0.902 1.325) 5.469 5.452 ( 1.041 2.631 -1.977) 3.452 5.528 ( -0.948 -1.165 -0.521) 1.590 5.618 ( 4.855 -1.496 1.480) 5.292 5.777 ( -4.128 -1.944 -4.380) 6.325 5.824 ( 5.937 -1.496 -0.083) 6.123 6.003 ( 3.377 -1.448 1.287) 3.894 6.038 ( 0.032 -3.685 -5.026) 6.232 6.287 ( -1.599 -4.505 4.517) 6.576 6.356 ( -0.377 -6.116 0.578) 6.154 6.432 ( -1.313 4.792 1.773) 5.275 6.534 ( 2.914 5.168 -2.823) 6.570 6.789 ( 0.650 -1.238 4.059) 4.294 6.860 ( 1.269 -2.057 -3.301) 4.091 7.286 ( -2.442 6.189 -0.248) 6.658 7.323 ( 2.484 2.899 0.665) 3.875 7.577 ( -2.940 4.446 2.810) 6.025 7.699 ( 1.249 4.485 -5.552) 7.246 7.925 ( -1.436 1.855 -1.438) 2.752 7.948 ( 0.304 0.578 -1.090) 1.271 8.238 ( -1.438 -5.382 1.384) 5.740 8.291 ( 1.944 -4.563 0.437) 4.979 8.417 ( -2.082 0.088 3.998) 4.508 8.490 ( 2.192 -1.135 -0.135) 2.472 8.679 ( -2.548 2.756 2.932) 4.763 8.751 ( 1.077 2.689 -0.495) 2.938 8.810 ( -2.679 -1.433 -0.892) 3.166 8.860 ( 2.795 0.698 -1.438) 3.220 12.000 ( 0.823 -1.414 2.973) 3.393 12.040 ( -0.692 -1.566 -3.379) 3.788 12.145 ( -1.471 1.899 2.547) 3.501 12.209 ( 1.262 1.931 -1.932) 3.009 15.533 ( -0.142 -3.417 2.835) 4.442 15.588 ( 0.668 -3.369 -2.819) 4.444 15.785 ( -0.302 0.596 3.785) 3.844 15.854 ( 0.860 1.097 -2.987) 3.296 15.981 ( -1.246 0.712 4.615) 4.833 16.036 ( -1.056 1.988 0.159) 2.257 16.112 ( 0.906 2.139 -1.685) 2.869 16.119 ( -0.324 1.668 -4.198) 4.528 16.481 ( -2.366 -1.742 1.818) 3.455 16.554 ( 0.723 -1.140 -1.906) 2.335 16.618 ( 0.470 -1.667 2.814) 3.304 16.677 ( 3.000 1.869 -0.983) 3.668 ======================= Grid point 127 (66/72) ======================= q-point: (-0.14 -0.57 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -1.296 -1.794 1.630) 2.748 1.200 ( -0.695 -1.063 0.017) 1.270 1.350 ( -4.575 -6.052 0.971) 7.649 1.431 ( -2.223 -1.190 2.651) 3.658 1.526 ( 1.450 1.218 2.942) 3.498 1.701 ( 1.638 -1.219 -3.234) 3.825 1.836 ( 0.984 0.590 -1.209) 1.667 1.901 ( 3.649 -1.741 1.161) 4.207 1.970 ( -4.432 4.104 -4.242) 7.381 2.100 ( -1.328 0.408 -0.699) 1.555 2.135 ( 0.188 6.481 -2.236) 6.859 2.209 ( -2.646 -4.368 1.013) 5.206 2.327 ( -3.305 3.971 0.099) 5.168 2.374 ( -1.614 6.023 1.366) 6.384 2.472 ( 3.825 2.050 2.225) 4.877 2.553 ( 1.689 -2.229 3.281) 4.311 2.579 ( 2.373 2.987 -2.503) 4.563 2.623 ( 1.195 0.734 -1.828) 2.304 3.042 ( -3.027 1.178 1.864) 3.745 3.096 ( -1.677 -2.591 1.715) 3.531 3.169 ( -0.545 -0.069 -1.191) 1.311 3.239 ( -0.282 0.951 -0.201) 1.012 3.279 ( -2.172 -1.668 0.863) 2.872 3.406 ( 3.196 -0.550 -0.819) 3.345 3.719 ( -0.758 -1.775 4.077) 4.511 3.835 ( -2.004 -0.829 -1.697) 2.754 3.857 ( 2.596 -2.602 0.396) 3.697 3.999 ( 4.755 -1.902 3.228) 6.054 4.157 ( 0.049 2.389 -0.468) 2.434 4.213 ( -0.185 -0.560 -0.928) 1.099 4.268 ( -1.320 -0.511 1.487) 2.053 4.331 ( 1.746 -0.886 -0.209) 1.969 4.418 ( 0.607 -2.738 -3.699) 4.642 4.442 ( -1.390 0.668 1.998) 2.524 4.516 ( -0.026 2.971 2.225) 3.712 4.665 ( 1.350 0.308 -4.412) 4.625 4.784 ( -6.246 1.519 -2.203) 6.795 4.893 ( 4.202 0.589 7.033) 8.214 5.126 ( -3.593 1.840 -4.645) 6.154 5.208 ( 1.762 -2.394 1.530) 3.343 5.301 ( -2.960 1.374 2.380) 4.040 5.412 ( 1.301 1.792 -2.327) 3.213 5.562 ( 0.434 -2.059 -0.432) 2.148 5.670 ( 3.375 0.288 -2.550) 4.240 5.760 ( -4.359 -2.104 -1.991) 5.233 5.914 ( 4.249 -1.636 0.059) 4.554 6.055 ( 0.838 -1.520 -0.188) 1.746 6.131 ( 0.752 -5.057 -3.923) 6.444 6.301 ( -2.647 1.431 5.755) 6.494 6.330 ( -0.116 2.700 3.952) 4.788 6.459 ( 0.847 -0.390 -4.364) 4.463 6.490 ( 1.426 -0.929 -1.710) 2.412 6.869 ( 2.364 -5.363 3.761) 6.964 6.906 ( 0.793 -1.591 -2.396) 2.983 7.124 ( -3.771 6.961 1.282) 8.020 7.268 ( 1.765 3.955 1.060) 4.459 7.517 ( -1.109 0.750 -2.207) 2.581 7.656 ( 1.964 1.205 -3.833) 4.473 7.862 ( -2.058 1.890 -0.552) 2.848 7.954 ( 1.026 -0.116 -1.242) 1.615 8.320 ( -0.424 -3.819 2.289) 4.472 8.377 ( 0.897 -1.984 0.512) 2.237 8.405 ( -1.595 -0.928 5.124) 5.446 8.512 ( 0.316 0.255 -2.191) 2.229 8.595 ( -2.423 3.182 -0.282) 4.010 8.706 ( 2.035 3.475 2.740) 4.871 8.811 ( -2.910 -2.053 -2.497) 4.350 8.884 ( 2.373 -0.120 0.749) 2.492 12.032 ( 0.099 -0.381 2.410) 2.442 12.068 ( 0.112 -2.095 -1.047) 2.345 12.106 ( -1.084 0.523 1.144) 1.661 12.174 ( 0.839 2.385 -2.467) 3.533 15.589 ( -1.113 -1.841 0.056) 2.152 15.641 ( 1.701 -1.426 2.077) 3.040 15.786 ( -0.808 -0.970 -0.477) 1.350 15.830 ( 0.895 1.915 -1.868) 2.821 15.960 ( -1.288 0.635 5.228) 5.422 16.005 ( -0.707 0.420 3.003) 3.114 16.078 ( 0.416 1.474 -2.744) 3.142 16.097 ( 0.676 0.330 -5.283) 5.336 16.502 ( -1.075 -1.538 1.738) 2.558 16.549 ( -0.668 0.531 -1.255) 1.518 16.659 ( 1.322 1.812 0.258) 2.258 16.681 ( 1.358 -2.725 0.295) 3.059 ======================= Grid point 132 (67/72) ======================= q-point: (-0.43 -0.43 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.183 -0.000 -1.384) 1.396 1.094 ( 0.777 0.000 0.379) 0.865 1.363 ( -2.089 -0.000 4.960) 5.381 1.384 ( -0.328 -0.000 2.594) 2.615 1.625 ( -2.808 -0.000 -1.263) 3.079 1.660 ( -5.537 -0.000 10.612) 11.970 1.703 ( -1.672 -0.000 -6.040) 6.267 1.749 ( 3.005 0.000 1.197) 3.234 2.042 ( -4.142 -0.000 -1.408) 4.375 2.161 ( 0.917 0.000 0.442) 1.017 2.179 ( -3.589 -0.000 15.847) 16.249 2.291 ( -5.012 -0.000 -10.698) 11.814 2.381 ( 3.361 0.000 0.650) 3.423 2.390 ( 2.565 0.000 -3.536) 4.368 2.615 ( -2.494 -0.000 3.975) 4.692 2.676 ( -1.894 -0.000 3.799) 4.245 2.761 ( -2.965 -0.000 6.988) 7.591 2.800 ( 3.068 0.000 -7.626) 8.220 2.840 ( 4.003 0.000 -5.989) 7.204 2.917 ( 1.078 0.000 -5.227) 5.337 3.159 ( -1.394 -0.000 -1.744) 2.233 3.227 ( 4.946 0.000 -0.979) 5.042 3.285 ( -1.573 -0.000 -0.674) 1.711 3.287 ( -0.196 -0.000 0.863) 0.886 3.699 ( 2.462 0.000 10.603) 10.885 3.801 ( -1.176 -0.000 -4.795) 4.937 3.948 ( -4.528 -0.000 7.180) 8.488 4.117 ( -2.937 -0.000 -2.958) 4.168 4.152 ( -2.449 -0.000 -5.480) 6.003 4.162 ( 0.640 0.000 3.916) 3.968 4.259 ( 3.520 0.000 4.558) 5.759 4.311 ( 2.542 0.000 -5.003) 5.611 4.409 ( 1.146 0.000 -2.137) 2.425 4.435 ( 2.509 0.000 -1.017) 2.707 4.484 ( -2.711 -0.000 -0.299) 2.728 4.623 ( 5.788 0.000 -4.953) 7.617 4.680 ( -9.417 -0.000 6.822) 11.629 4.957 ( 6.244 0.000 -6.120) 8.743 5.070 ( -2.992 -0.000 13.599) 13.924 5.319 ( -0.485 -0.000 -11.463) 11.474 5.395 ( -4.906 -0.000 0.568) 4.939 5.487 ( -5.053 -0.000 -2.797) 5.775 5.537 ( 7.275 0.000 3.051) 7.888 5.583 ( 4.995 0.000 0.405) 5.011 5.685 ( -1.546 -0.000 0.053) 1.547 5.814 ( 3.966 0.000 -5.233) 6.566 5.986 ( 3.283 0.000 5.924) 6.773 6.061 ( -0.999 -0.000 -6.876) 6.948 6.099 ( -2.251 -0.000 1.635) 2.782 6.166 ( 3.010 0.000 -0.666) 3.083 6.554 ( -2.373 -0.000 6.049) 6.498 6.692 ( 3.209 0.000 -3.915) 5.062 6.782 ( 0.736 0.000 0.799) 1.087 6.792 ( 1.454 0.000 0.468) 1.527 7.336 ( 0.705 0.000 2.201) 2.311 7.401 ( 0.094 0.000 -5.338) 5.339 7.803 ( -5.095 -0.000 1.085) 5.210 7.859 ( -9.451 -0.000 0.227) 9.453 7.901 ( 2.971 0.000 2.352) 3.789 7.973 ( -0.204 -0.000 3.794) 3.800 8.123 ( 6.102 0.000 -2.949) 6.777 8.127 ( 1.440 0.000 -5.240) 5.434 8.437 ( -0.062 -0.000 3.537) 3.537 8.438 ( 0.225 0.000 2.597) 2.607 8.739 ( -3.388 -0.000 -0.905) 3.507 8.756 ( -0.548 -0.000 1.007) 1.147 8.814 ( 1.958 0.000 4.055) 4.504 8.891 ( 0.415 0.000 -6.007) 6.022 11.972 ( 0.889 0.000 2.747) 2.887 12.009 ( -0.741 -0.000 -3.478) 3.556 12.187 ( -1.647 -0.000 2.507) 3.000 12.247 ( 1.351 0.000 -1.213) 1.816 15.463 ( -1.249 -0.000 0.135) 1.256 15.483 ( 1.294 0.000 0.570) 1.414 15.811 ( 0.289 0.000 4.299) 4.309 15.870 ( 0.058 0.000 -2.903) 2.904 15.993 ( -0.719 -0.000 4.389) 4.448 16.080 ( 0.190 0.000 -4.527) 4.531 16.173 ( 0.329 0.000 0.325) 0.463 16.191 ( -1.607 -0.000 -4.079) 4.384 16.427 ( -5.040 -0.000 -0.663) 5.084 16.513 ( 6.370 0.000 2.610) 6.884 16.594 ( -2.675 -0.000 4.178) 4.961 16.718 ( 4.921 0.000 -1.797) 5.239 ======================= Grid point 133 (68/72) ======================= q-point: (-0.29 -0.43 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -2.600 1.109 3.117) 4.208 1.125 ( -1.710 -2.603 -0.471) 3.150 1.257 ( -6.608 3.646 4.446) 8.759 1.443 ( 1.737 -2.560 2.952) 4.276 1.562 ( -7.308 2.411 -1.783) 7.899 1.601 ( -3.361 -0.878 5.627) 6.613 1.716 ( -1.743 -3.431 -2.760) 4.736 1.841 ( 6.232 -3.138 0.806) 7.023 2.012 ( -4.907 -1.744 -3.086) 6.053 2.075 ( -4.823 2.026 3.193) 6.129 2.222 ( -4.442 -2.524 3.708) 6.313 2.305 ( -1.568 0.843 2.170) 2.807 2.361 ( 3.659 1.540 1.509) 4.247 2.418 ( 2.706 -2.730 -3.312) 5.074 2.565 ( 1.748 2.958 1.195) 3.638 2.703 ( -3.313 4.188 4.901) 7.248 2.719 ( 0.650 2.718 -3.017) 4.112 2.763 ( -0.951 2.993 -2.050) 3.750 2.862 ( 0.846 -3.722 -4.002) 5.531 2.956 ( 0.853 -2.867 -0.171) 2.996 3.160 ( -1.498 -1.336 -3.008) 3.616 3.207 ( -4.325 2.612 0.489) 5.076 3.307 ( 1.974 -1.805 0.616) 2.745 3.323 ( 3.491 -2.735 -3.533) 5.670 3.744 ( 5.063 0.965 9.000) 10.372 3.791 ( 1.387 -0.178 -1.528) 2.071 3.888 ( -2.074 2.987 3.100) 4.778 4.040 ( 0.307 2.871 -0.131) 2.890 4.101 ( -4.794 -1.062 -2.706) 5.606 4.230 ( -0.187 -2.241 1.670) 2.800 4.297 ( 0.998 1.432 -4.114) 4.469 4.307 ( 4.756 0.472 3.514) 5.932 4.386 ( -4.982 1.683 -1.104) 5.374 4.456 ( 1.075 -2.571 -1.122) 3.004 4.534 ( 1.583 -2.181 0.525) 2.746 4.611 ( -0.293 -0.770 -2.510) 2.642 4.690 ( -2.804 -3.221 -2.302) 4.851 4.970 ( 1.877 2.212 2.274) 3.687 5.093 ( 0.002 -2.653 7.546) 7.998 5.256 ( -1.873 3.548 -9.753) 10.546 5.341 ( -3.131 1.238 0.487) 3.402 5.440 ( -4.180 0.190 -3.506) 5.459 5.575 ( 5.475 2.135 2.206) 6.276 5.643 ( 4.532 -1.200 5.006) 6.859 5.709 ( -0.872 -1.715 -3.437) 3.939 5.857 ( 5.384 -1.062 -2.501) 6.031 5.992 ( -1.258 0.747 -5.261) 5.460 6.031 ( 4.195 -0.378 2.344) 4.820 6.195 ( 0.266 -6.356 0.816) 6.413 6.230 ( 1.059 -4.330 -0.116) 4.459 6.509 ( -1.457 3.681 4.955) 6.343 6.660 ( 3.492 4.804 -2.315) 6.374 6.797 ( 1.460 0.489 1.064) 1.871 6.841 ( 3.565 -2.312 -0.205) 4.254 7.347 ( -0.191 1.366 -1.990) 2.421 7.374 ( 0.809 1.482 0.442) 1.745 7.649 ( -5.891 6.146 2.761) 8.950 7.774 ( -4.111 3.457 -2.917) 6.113 7.921 ( -0.255 -0.870 1.326) 1.606 7.968 ( -0.926 2.089 -0.136) 2.289 8.146 ( 1.145 -3.210 -1.224) 3.621 8.234 ( 3.704 -4.275 -0.229) 5.661 8.418 ( -0.766 1.019 3.830) 4.037 8.480 ( 1.351 -1.866 1.138) 2.569 8.694 ( -2.826 1.412 -0.897) 3.284 8.746 ( -3.049 -0.489 -1.450) 3.412 8.820 ( 0.801 1.552 3.919) 4.290 8.888 ( 1.894 0.268 -3.956) 4.394 11.991 ( 0.725 -0.789 2.768) 2.968 12.006 ( -0.478 -0.859 -3.346) 3.488 12.164 ( -1.574 1.199 2.613) 3.278 12.246 ( 1.107 1.093 -1.642) 2.262 15.475 ( -0.864 -2.290 0.822) 2.582 15.528 ( 1.207 -3.173 -0.819) 3.492 15.810 ( 0.280 1.124 4.201) 4.358 15.869 ( 0.943 0.078 -2.717) 2.877 15.987 ( -1.185 0.420 4.236) 4.419 16.059 ( -0.870 1.514 -2.727) 3.238 16.140 ( -1.655 1.946 -3.654) 4.459 16.155 ( -0.302 1.753 -0.459) 1.837 16.410 ( -3.415 -2.242 -0.682) 4.142 16.542 ( -1.468 -0.458 -0.141) 1.545 16.626 ( 6.028 -0.355 5.788) 8.364 16.751 ( 5.458 1.597 -1.345) 5.844 ======================= Grid point 134 (69/72) ======================= q-point: (-0.14 -0.43 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -6.464 -5.123 6.331) 10.398 1.177 ( -1.820 -3.548 0.535) 4.023 1.204 ( -2.332 -2.064 4.342) 5.343 1.427 ( -2.746 2.609 -0.684) 3.849 1.542 ( 0.223 -2.623 -0.626) 2.706 1.625 ( -1.807 -3.916 3.372) 5.475 1.771 ( -2.038 -4.571 -3.143) 5.909 1.916 ( 0.798 -0.177 -2.907) 3.019 2.008 ( -3.076 -1.835 -0.524) 3.620 2.029 ( -0.258 0.719 -2.149) 2.280 2.208 ( -1.314 1.320 1.480) 2.379 2.244 ( 0.322 2.733 2.230) 3.542 2.336 ( -4.083 3.284 3.415) 6.255 2.476 ( 1.391 6.019 -3.302) 7.005 2.527 ( 1.538 -1.635 4.085) 4.661 2.578 ( -2.233 6.804 -3.010) 7.768 2.620 ( 2.154 2.581 1.567) 3.709 2.738 ( 1.864 2.847 0.086) 3.405 2.900 ( -7.284 -5.879 0.946) 9.408 3.050 ( -0.227 -3.701 2.685) 4.578 3.138 ( -2.089 0.262 0.782) 2.246 3.170 ( -2.646 -2.899 -5.093) 6.430 3.322 ( 3.082 1.538 -1.375) 3.708 3.409 ( 1.167 -2.286 -0.349) 2.590 3.753 ( 4.584 2.641 2.193) 5.727 3.841 ( 3.674 -1.815 0.903) 4.196 3.861 ( 2.445 1.642 1.209) 3.184 4.023 ( 2.072 0.553 2.220) 3.086 4.098 ( -4.271 -3.124 -0.907) 5.369 4.235 ( -1.437 0.063 2.078) 2.527 4.280 ( 1.732 1.415 -1.334) 2.604 4.334 ( 2.394 -0.183 -1.554) 2.860 4.360 ( -0.164 -2.141 0.221) 2.159 4.450 ( -3.402 1.541 3.668) 5.235 4.581 ( 2.728 1.082 -0.568) 2.990 4.636 ( -0.608 -2.571 -4.043) 4.830 4.703 ( -5.355 -2.252 -5.449) 7.965 4.958 ( 2.417 1.134 7.021) 7.512 5.130 ( -3.010 1.590 -6.886) 7.681 5.183 ( 1.099 -0.854 3.423) 3.695 5.295 ( -2.377 0.975 1.030) 2.768 5.410 ( -1.672 -0.692 -3.533) 3.969 5.581 ( 3.345 1.823 1.641) 4.148 5.693 ( -1.534 -0.007 -4.874) 5.110 5.709 ( 2.380 -0.805 4.743) 5.367 5.934 ( 5.370 -1.064 -1.045) 5.573 6.012 ( 0.397 -3.394 -6.119) 7.008 6.081 ( 3.040 -1.245 0.090) 3.286 6.279 ( -0.228 -2.503 3.951) 4.682 6.350 ( -0.706 -5.373 3.245) 6.316 6.423 ( -0.264 3.261 0.889) 3.391 6.574 ( 1.888 6.347 -3.429) 7.457 6.828 ( 3.392 -1.828 1.489) 4.131 6.911 ( 4.192 -0.842 -0.115) 4.277 7.237 ( -2.767 7.170 -0.129) 7.686 7.342 ( -1.716 3.433 0.503) 3.871 7.539 ( -0.693 2.222 0.184) 2.335 7.689 ( -0.864 1.930 -3.624) 4.196 7.893 ( -1.391 3.346 -1.692) 3.999 7.934 ( -1.502 -1.293 0.270) 2.000 8.237 ( 0.771 -4.843 1.116) 5.030 8.337 ( 2.098 -3.505 3.208) 5.194 8.401 ( -0.613 0.593 4.220) 4.306 8.511 ( -0.389 -0.385 -1.382) 1.486 8.633 ( -1.179 2.637 -1.936) 3.477 8.728 ( -3.467 -1.568 -2.415) 4.507 8.790 ( 0.464 2.377 3.826) 4.528 8.903 ( 1.902 -0.085 -1.437) 2.386 12.019 ( 0.245 -1.328 -0.145) 1.358 12.027 ( 0.200 -1.864 0.129) 1.879 12.124 ( -1.371 1.894 2.526) 3.442 12.222 ( 0.735 2.085 -2.357) 3.231 15.527 ( -0.467 -3.450 0.845) 3.582 15.607 ( 1.194 -3.609 -1.336) 4.029 15.787 ( -0.472 1.446 2.876) 3.253 15.870 ( 1.730 1.140 -2.509) 3.254 15.967 ( -1.419 0.739 4.297) 4.585 16.013 ( -1.511 1.256 1.810) 2.672 16.102 ( -0.143 0.876 -4.090) 4.185 16.113 ( -0.378 1.836 -2.331) 2.991 16.437 ( -1.927 -3.092 0.093) 3.644 16.536 ( -1.667 -0.665 -0.154) 1.802 16.683 ( 4.113 0.385 3.896) 5.678 16.746 ( 4.601 3.717 -1.661) 6.144 ======================= Grid point 140 (70/72) ======================= q-point: (-0.29 -0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -3.332 -0.000 2.575) 4.212 1.081 ( -3.964 -0.000 3.716) 5.433 1.293 ( -5.173 -0.000 5.641) 7.654 1.366 ( -2.338 -0.000 -4.218) 4.823 1.471 ( -14.173 -0.000 3.650) 14.635 1.606 ( 0.389 0.000 5.710) 5.723 1.624 ( -5.887 -0.000 -4.392) 7.345 1.870 ( 7.261 0.000 -0.592) 7.285 2.001 ( 3.554 0.000 -0.229) 3.561 2.012 ( -7.237 -0.000 -3.722) 8.137 2.166 ( -5.964 -0.000 25.621) 26.306 2.309 ( 3.043 0.000 -3.697) 4.788 2.381 ( -1.722 -0.000 -3.790) 4.163 2.428 ( 2.546 0.000 -3.700) 4.491 2.594 ( -1.355 -0.000 0.571) 1.470 2.713 ( 3.083 0.000 3.976) 5.031 2.717 ( -3.720 -0.000 6.304) 7.320 2.820 ( 1.244 0.000 -8.023) 8.119 2.892 ( 3.024 0.000 -4.282) 5.242 2.907 ( -0.678 -0.000 -4.595) 4.644 3.131 ( -1.123 -0.000 -3.952) 4.108 3.219 ( -5.090 -0.000 -3.347) 6.092 3.284 ( -0.106 -0.000 1.427) 1.431 3.307 ( 3.418 0.000 -1.305) 3.659 3.802 ( 1.985 0.000 -1.931) 2.769 3.821 ( 6.235 0.000 11.833) 13.375 3.903 ( -0.715 -0.000 6.103) 6.144 4.007 ( -4.848 -0.000 -1.913) 5.212 4.131 ( -0.079 -0.000 -5.261) 5.261 4.157 ( -1.921 -0.000 2.478) 3.135 4.328 ( 1.099 0.000 -6.534) 6.626 4.329 ( -6.041 -0.000 -4.734) 7.675 4.376 ( 4.343 0.000 7.964) 9.072 4.451 ( 3.653 0.000 -4.177) 5.549 4.524 ( 0.941 0.000 0.529) 1.080 4.529 ( -6.886 -0.000 4.613) 8.288 4.695 ( 3.456 0.000 -7.232) 8.015 5.006 ( 0.299 0.000 -5.011) 5.020 5.070 ( -0.577 -0.000 15.202) 15.213 5.271 ( -0.939 -0.000 -9.744) 9.790 5.323 ( -3.136 -0.000 -1.240) 3.372 5.412 ( -1.647 -0.000 -4.499) 4.791 5.657 ( 3.642 0.000 8.771) 9.497 5.678 ( 3.840 0.000 3.548) 5.228 5.698 ( 2.746 0.000 -1.596) 3.177 5.878 ( 4.562 0.000 -3.977) 6.052 6.023 ( -0.736 -0.000 -7.224) 7.261 6.051 ( -0.460 -0.000 -1.611) 1.676 6.090 ( 3.271 0.000 6.557) 7.328 6.230 ( 3.931 0.000 -2.393) 4.602 6.546 ( -0.512 -0.000 6.793) 6.812 6.742 ( 2.636 0.000 -3.708) 4.549 6.838 ( 5.252 0.000 1.047) 5.355 6.843 ( 4.075 0.000 0.836) 4.160 7.354 ( -0.120 -0.000 1.964) 1.968 7.390 ( -0.409 -0.000 -2.682) 2.713 7.684 ( -8.572 -0.000 1.399) 8.685 7.696 ( -5.675 -0.000 -0.411) 5.690 7.949 ( 1.381 0.000 2.350) 2.726 7.976 ( -0.489 -0.000 2.861) 2.903 8.129 ( 0.299 0.000 -4.270) 4.281 8.223 ( 4.910 0.000 -1.400) 5.105 8.447 ( -0.732 -0.000 4.984) 5.038 8.450 ( 0.085 0.000 -0.116) 0.144 8.680 ( -1.475 -0.000 -4.901) 5.118 8.716 ( -3.018 -0.000 0.265) 3.030 8.846 ( 0.106 0.000 4.832) 4.833 8.898 ( 1.683 0.000 -4.498) 4.802 11.990 ( -0.134 -0.000 -3.224) 3.227 11.991 ( 0.177 0.000 2.442) 2.448 12.167 ( -1.182 -0.000 2.849) 3.084 12.264 ( 0.809 0.000 -1.606) 1.798 15.444 ( -0.707 -0.000 0.156) 0.724 15.502 ( 0.406 0.000 -0.101) 0.418 15.836 ( 1.027 0.000 4.151) 4.276 15.873 ( 1.100 0.000 -2.067) 2.341 15.985 ( -1.319 -0.000 3.921) 4.137 16.065 ( -0.436 -0.000 -4.456) 4.477 16.136 ( -3.090 -0.000 -3.267) 4.497 16.157 ( -2.134 -0.000 -0.473) 2.185 16.360 ( -1.708 -0.000 -0.221) 1.722 16.513 ( -2.900 -0.000 0.076) 2.901 16.721 ( 10.741 0.000 6.117) 12.361 16.822 ( 6.364 0.000 -0.583) 6.391 ======================= Grid point 141 (71/72) ======================= q-point: (-0.14 -0.29 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -11.482 3.053 12.794) 17.460 1.075 ( -3.991 -3.303 5.836) 7.803 1.203 ( -1.206 1.172 -0.429) 1.736 1.404 ( -5.551 -0.601 -7.834) 9.620 1.457 ( -4.540 -6.810 0.475) 8.199 1.535 ( -3.122 -1.744 2.147) 4.171 1.665 ( -2.626 -3.027 3.066) 5.046 1.887 ( -3.814 1.094 -6.942) 7.996 1.981 ( 6.748 -0.073 0.494) 6.767 2.081 ( 5.657 -0.475 1.498) 5.872 2.177 ( -4.269 -2.430 13.737) 14.589 2.263 ( -4.736 2.607 4.769) 7.209 2.393 ( 1.226 2.180 -3.856) 4.596 2.453 ( 0.953 -4.440 2.957) 5.419 2.581 ( -1.891 0.365 -1.199) 2.268 2.660 ( -2.103 3.323 4.690) 6.120 2.712 ( 0.198 2.454 0.887) 2.617 2.752 ( 0.072 8.929 -3.611) 9.632 2.871 ( 1.556 -2.173 -7.292) 7.767 2.943 ( -2.738 -2.096 -1.961) 3.967 3.115 ( -2.187 -0.297 -3.335) 3.999 3.137 ( -2.282 0.766 -1.471) 2.821 3.330 ( 0.773 -2.274 0.646) 2.487 3.362 ( 1.318 -3.077 -2.510) 4.184 3.832 ( 3.208 -0.851 0.329) 3.335 3.892 ( 5.761 3.411 3.653) 7.627 3.892 ( 1.622 -1.014 4.172) 4.590 4.006 ( -0.880 -1.694 0.908) 2.114 4.068 ( -0.408 0.960 1.233) 1.614 4.208 ( -2.240 -0.937 0.052) 2.429 4.250 ( -4.216 -2.345 -4.064) 6.307 4.325 ( 0.250 0.347 -4.391) 4.412 4.421 ( 5.231 1.909 4.251) 7.005 4.447 ( -3.606 1.203 4.000) 5.518 4.543 ( -2.166 -3.390 0.707) 4.085 4.559 ( 2.226 -3.467 -3.708) 5.543 4.690 ( 1.389 1.745 -7.544) 7.867 4.982 ( -1.728 0.454 -1.041) 2.068 5.112 ( 0.626 -1.226 9.072) 9.176 5.211 ( -0.753 2.891 -5.059) 5.875 5.293 ( -2.493 0.602 -1.480) 2.961 5.391 ( -0.051 0.375 -4.995) 5.010 5.658 ( 2.213 2.627 3.942) 5.229 5.705 ( 2.124 1.614 -0.989) 2.845 5.726 ( 1.601 -0.336 6.820) 7.014 5.944 ( 4.276 -2.237 -1.496) 5.053 5.963 ( 0.010 -0.408 -6.098) 6.112 6.093 ( 2.077 -0.816 -2.259) 3.175 6.211 ( 0.853 -7.267 3.861) 8.273 6.266 ( 2.882 -0.757 -1.571) 3.368 6.511 ( 0.104 4.222 5.613) 7.024 6.702 ( 1.237 5.144 -3.437) 6.309 6.865 ( 5.929 0.809 1.677) 6.214 6.936 ( 6.497 -1.836 0.337) 6.760 7.319 ( -2.368 3.703 -1.575) 4.669 7.360 ( -4.103 1.398 1.263) 4.515 7.571 ( -2.096 2.156 2.156) 3.700 7.682 ( -3.750 -0.598 -3.181) 4.954 7.916 ( -1.177 1.956 2.564) 3.433 7.951 ( -0.484 3.389 -1.369) 3.688 8.165 ( 1.405 -3.849 -0.183) 4.102 8.299 ( 2.594 -3.188 1.929) 4.540 8.418 ( -0.658 0.864 3.032) 3.221 8.478 ( -2.062 -1.779 0.247) 2.735 8.656 ( -0.660 0.957 -6.271) 6.377 8.683 ( -2.087 0.635 -0.253) 2.196 8.836 ( -0.201 1.429 4.848) 5.059 8.912 ( 1.621 -0.230 -3.004) 3.422 11.995 ( 0.353 -0.893 -2.901) 3.056 12.002 ( -0.469 -1.010 2.189) 2.456 12.150 ( -0.611 1.301 3.218) 3.524 12.256 ( 0.413 1.203 -2.176) 2.520 15.465 ( -0.254 -2.561 0.643) 2.653 15.539 ( 0.193 -3.536 -1.542) 3.862 15.827 ( 0.496 2.024 3.277) 3.884 15.893 ( 2.045 -0.331 -1.590) 2.612 15.972 ( -1.447 0.550 3.576) 3.897 16.029 ( -1.651 1.809 -0.485) 2.497 16.102 ( -1.240 0.115 -4.196) 4.377 16.125 ( -2.470 0.894 -1.344) 2.951 16.373 ( -0.442 -2.089 0.153) 2.141 16.497 ( -2.585 -1.035 -0.186) 2.791 16.788 ( 8.079 3.707 5.347) 10.374 16.860 ( 6.565 2.608 -1.078) 7.145 ======================= Grid point 148 (72/72) ======================= q-point: (-0.14 -0.14 0.40) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -15.316 -0.000 14.245) 20.916 0.982 ( -7.140 -0.000 12.131) 14.076 1.232 ( -3.466 -0.000 0.832) 3.564 1.251 ( -3.445 -0.000 0.515) 3.483 1.372 ( 0.047 0.000 -9.389) 9.389 1.453 ( -9.016 -0.000 -5.882) 10.765 1.679 ( 4.786 0.000 7.709) 9.074 1.864 ( -1.441 -0.000 -5.444) 5.631 2.100 ( 10.107 0.000 2.002) 10.303 2.106 ( -7.005 -0.000 22.603) 23.664 2.121 ( 6.526 0.000 5.663) 8.640 2.256 ( -5.612 -0.000 2.504) 6.146 2.409 ( 3.869 0.000 -6.285) 7.381 2.458 ( 0.830 0.000 -2.429) 2.567 2.515 ( -6.902 -0.000 -1.699) 7.108 2.686 ( -1.488 -0.000 7.629) 7.772 2.762 ( -0.249 -0.000 6.880) 6.885 2.794 ( 0.522 0.000 -17.494) 17.502 2.875 ( -0.679 -0.000 -6.339) 6.375 2.919 ( 0.582 0.000 -4.011) 4.053 3.094 ( -1.643 -0.000 -3.049) 3.463 3.109 ( -3.714 -0.000 -4.462) 5.805 3.295 ( 0.634 0.000 1.437) 1.571 3.336 ( 0.227 0.000 -0.784) 0.817 3.846 ( 2.312 0.000 1.445) 2.727 3.892 ( 1.408 0.000 5.969) 6.133 3.960 ( 0.515 0.000 -1.146) 1.256 4.029 ( 6.720 0.000 8.509) 10.842 4.099 ( -4.950 -0.000 0.989) 5.048 4.123 ( 0.566 0.000 -3.745) 3.787 4.182 ( -5.564 -0.000 -4.324) 7.047 4.314 ( -0.431 -0.000 -7.834) 7.846 4.430 ( -3.032 -0.000 7.644) 8.223 4.511 ( 4.381 0.000 -6.089) 7.501 4.518 ( -1.442 -0.000 -0.016) 1.442 4.542 ( 7.719 0.000 9.633) 12.344 4.705 ( 0.188 0.000 -9.479) 9.481 4.951 ( -4.026 -0.000 -4.448) 6.000 5.134 ( 2.242 0.000 13.467) 13.653 5.237 ( -0.398 -0.000 -6.925) 6.937 5.263 ( -2.615 -0.000 -2.510) 3.625 5.392 ( 0.389 0.000 -5.287) 5.301 5.722 ( 0.330 0.000 10.594) 10.599 5.724 ( -0.331 -0.000 6.704) 6.713 5.760 ( 4.466 0.000 -2.130) 4.948 5.951 ( 3.296 0.000 -8.801) 9.398 6.012 ( 2.492 0.000 -4.440) 5.091 6.025 ( -1.180 -0.000 -0.569) 1.310 6.172 ( 2.310 0.000 5.377) 5.852 6.289 ( 3.365 0.000 -3.961) 5.197 6.570 ( 0.904 0.000 7.276) 7.332 6.752 ( -0.311 -0.000 -3.623) 3.637 6.952 ( 7.403 0.000 1.004) 7.471 6.980 ( 9.077 0.000 1.539) 9.206 7.307 ( -5.362 -0.000 -0.309) 5.371 7.342 ( -5.346 -0.000 1.034) 5.445 7.584 ( -2.631 -0.000 1.849) 3.216 7.619 ( -1.875 -0.000 -1.992) 2.736 7.972 ( 0.588 0.000 2.691) 2.754 7.980 ( 0.623 0.000 0.480) 0.786 8.127 ( 0.784 0.000 -0.704) 1.054 8.280 ( 0.689 0.000 0.059) 0.692 8.421 ( -2.265 -0.000 -2.965) 3.731 8.422 ( -3.125 -0.000 3.872) 4.976 8.672 ( 1.962 0.000 -6.510) 6.799 8.672 ( -1.584 -0.000 -0.927) 1.836 8.850 ( -0.989 -0.000 5.344) 5.435 8.922 ( 1.832 0.000 -3.458) 3.913 11.987 ( -1.203 -0.000 1.757) 2.129 11.988 ( 0.775 0.000 -2.761) 2.868 12.166 ( 0.105 0.000 3.692) 3.693 12.266 ( -0.002 -0.000 -2.186) 2.186 15.439 ( 0.010 0.000 0.533) 0.533 15.495 ( -0.812 -0.000 -1.038) 1.318 15.870 ( 1.536 0.000 2.776) 3.173 15.897 ( 1.707 0.000 -0.918) 1.938 15.970 ( -1.234 -0.000 3.443) 3.657 16.039 ( -1.015 -0.000 -3.870) 4.001 16.065 ( -3.702 -0.000 -0.372) 3.721 16.109 ( -1.942 -0.000 -2.280) 2.995 16.357 ( 0.890 0.000 0.986) 1.328 16.461 ( -2.572 -0.000 -0.494) 2.619 16.935 ( 5.132 0.000 1.329) 5.301 16.946 ( 10.792 0.000 1.466) 10.892 =================== 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 3/20580 10.0 104.836 162.847 151.826 -0.000 -4.082 0.000 3/20580 20.0 17.292 25.571 24.829 -0.000 -0.972 0.000 3/20580 30.0 7.979 11.447 11.264 -0.000 -0.539 0.000 3/20580 40.0 5.001 7.034 6.995 -0.000 -0.372 0.000 3/20580 50.0 3.599 4.987 5.010 -0.000 -0.280 0.000 3/20580 60.0 2.802 3.834 3.891 -0.000 -0.223 0.000 3/20580 70.0 2.295 3.108 3.181 -0.000 -0.184 0.000 3/20580 80.0 1.945 2.613 2.694 -0.000 -0.157 0.000 3/20580 90.0 1.691 2.256 2.340 -0.000 -0.137 0.000 3/20580 100.0 1.498 1.987 2.072 -0.000 -0.121 0.000 3/20580 110.0 1.346 1.777 1.861 -0.000 -0.109 0.000 3/20580 120.0 1.223 1.609 1.691 -0.000 -0.099 0.000 3/20580 130.0 1.122 1.472 1.551 -0.000 -0.090 0.000 3/20580 140.0 1.037 1.357 1.434 -0.000 -0.083 0.000 3/20580 150.0 0.964 1.260 1.334 -0.000 -0.077 0.000 3/20580 160.0 0.902 1.176 1.247 -0.000 -0.072 0.000 3/20580 170.0 0.847 1.103 1.172 -0.000 -0.068 0.000 3/20580 180.0 0.799 1.040 1.106 -0.000 -0.064 0.000 3/20580 190.0 0.756 0.983 1.047 -0.000 -0.061 0.000 3/20580 200.0 0.718 0.933 0.995 -0.000 -0.058 0.000 3/20580 210.0 0.684 0.887 0.948 -0.000 -0.055 0.000 3/20580 220.0 0.653 0.847 0.905 -0.000 -0.052 0.000 3/20580 230.0 0.625 0.809 0.866 -0.000 -0.050 0.000 3/20580 240.0 0.599 0.776 0.831 -0.000 -0.048 0.000 3/20580 250.0 0.575 0.744 0.798 -0.000 -0.046 0.000 3/20580 260.0 0.553 0.716 0.768 -0.000 -0.044 0.000 3/20580 270.0 0.533 0.690 0.740 -0.000 -0.043 0.000 3/20580 280.0 0.514 0.665 0.714 -0.000 -0.041 0.000 3/20580 290.0 0.497 0.642 0.690 -0.000 -0.040 0.000 3/20580 300.0 0.480 0.621 0.668 -0.000 -0.039 0.000 3/20580 310.0 0.465 0.601 0.647 -0.000 -0.037 0.000 3/20580 320.0 0.451 0.583 0.628 -0.000 -0.036 0.000 3/20580 330.0 0.437 0.565 0.609 -0.000 -0.035 0.000 3/20580 340.0 0.425 0.549 0.592 -0.000 -0.034 0.000 3/20580 350.0 0.413 0.534 0.575 -0.000 -0.033 0.000 3/20580 360.0 0.402 0.519 0.560 -0.000 -0.032 0.000 3/20580 370.0 0.391 0.505 0.545 -0.000 -0.032 0.000 3/20580 380.0 0.381 0.492 0.531 -0.000 -0.031 0.000 3/20580 390.0 0.371 0.480 0.518 -0.000 -0.030 0.000 3/20580 400.0 0.362 0.468 0.506 -0.000 -0.029 0.000 3/20580 410.0 0.354 0.457 0.494 -0.000 -0.029 0.000 3/20580 420.0 0.345 0.446 0.482 -0.000 -0.028 0.000 3/20580 430.0 0.338 0.436 0.471 -0.000 -0.027 0.000 3/20580 440.0 0.330 0.426 0.461 -0.000 -0.027 0.000 3/20580 450.0 0.323 0.417 0.451 -0.000 -0.026 0.000 3/20580 460.0 0.316 0.408 0.442 -0.000 -0.026 0.000 3/20580 470.0 0.309 0.400 0.432 -0.000 -0.025 0.000 3/20580 480.0 0.303 0.391 0.424 -0.000 -0.025 0.000 3/20580 490.0 0.297 0.384 0.415 -0.000 -0.024 0.000 3/20580 500.0 0.291 0.376 0.407 -0.000 -0.024 0.000 3/20580 510.0 0.286 0.369 0.400 -0.000 -0.023 0.000 3/20580 520.0 0.280 0.362 0.392 -0.000 -0.023 0.000 3/20580 530.0 0.275 0.355 0.385 -0.000 -0.022 0.000 3/20580 540.0 0.270 0.349 0.378 -0.000 -0.022 0.000 3/20580 550.0 0.265 0.342 0.371 -0.000 -0.022 0.000 3/20580 560.0 0.261 0.336 0.365 -0.000 -0.021 0.000 3/20580 570.0 0.256 0.331 0.359 -0.000 -0.021 0.000 3/20580 580.0 0.252 0.325 0.353 -0.000 -0.021 0.000 3/20580 590.0 0.248 0.320 0.347 -0.000 -0.020 0.000 3/20580 600.0 0.243 0.314 0.341 -0.000 -0.020 0.000 3/20580 610.0 0.240 0.309 0.336 -0.000 -0.020 0.000 3/20580 620.0 0.236 0.304 0.331 -0.000 -0.019 0.000 3/20580 630.0 0.232 0.300 0.325 -0.000 -0.019 0.000 3/20580 640.0 0.229 0.295 0.320 -0.000 -0.019 0.000 3/20580 650.0 0.225 0.291 0.316 -0.000 -0.018 0.000 3/20580 660.0 0.222 0.286 0.311 -0.000 -0.018 0.000 3/20580 670.0 0.218 0.282 0.306 -0.000 -0.018 0.000 3/20580 680.0 0.215 0.278 0.302 -0.000 -0.018 0.000 3/20580 690.0 0.212 0.274 0.298 -0.000 -0.017 0.000 3/20580 700.0 0.209 0.270 0.294 -0.000 -0.017 0.000 3/20580 710.0 0.206 0.267 0.290 -0.000 -0.017 0.000 3/20580 720.0 0.204 0.263 0.286 -0.000 -0.017 0.000 3/20580 730.0 0.201 0.259 0.282 -0.000 -0.016 0.000 3/20580 740.0 0.198 0.256 0.278 -0.000 -0.016 0.000 3/20580 750.0 0.196 0.253 0.275 -0.000 -0.016 0.000 3/20580 760.0 0.193 0.249 0.271 -0.000 -0.016 0.000 3/20580 770.0 0.191 0.246 0.268 -0.000 -0.016 0.000 3/20580 780.0 0.188 0.243 0.264 -0.000 -0.015 0.000 3/20580 790.0 0.186 0.240 0.261 -0.000 -0.015 0.000 3/20580 800.0 0.183 0.237 0.258 -0.000 -0.015 0.000 3/20580 810.0 0.181 0.234 0.255 -0.000 -0.015 0.000 3/20580 820.0 0.179 0.231 0.252 -0.000 -0.015 0.000 3/20580 830.0 0.177 0.229 0.249 -0.000 -0.015 0.000 3/20580 840.0 0.175 0.226 0.246 -0.000 -0.014 0.000 3/20580 850.0 0.173 0.223 0.243 -0.000 -0.014 0.000 3/20580 860.0 0.171 0.221 0.240 -0.000 -0.014 0.000 3/20580 870.0 0.169 0.218 0.238 -0.000 -0.014 0.000 3/20580 880.0 0.167 0.216 0.235 -0.000 -0.014 0.000 3/20580 890.0 0.165 0.213 0.232 -0.000 -0.014 0.000 3/20580 900.0 0.163 0.211 0.230 -0.000 -0.013 0.000 3/20580 910.0 0.162 0.209 0.227 -0.000 -0.013 0.000 3/20580 920.0 0.160 0.207 0.225 -0.000 -0.013 0.000 3/20580 930.0 0.158 0.204 0.223 -0.000 -0.013 0.000 3/20580 940.0 0.157 0.202 0.220 -0.000 -0.013 0.000 3/20580 950.0 0.155 0.200 0.218 -0.000 -0.013 0.000 3/20580 960.0 0.153 0.198 0.216 -0.000 -0.013 0.000 3/20580 970.0 0.152 0.196 0.214 -0.000 -0.013 0.000 3/20580 980.0 0.150 0.194 0.211 -0.000 -0.012 0.000 3/20580 990.0 0.149 0.192 0.209 -0.000 -0.012 0.000 3/20580 1000.0 0.147 0.190 0.207 -0.000 -0.012 0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:36:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|