----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:07:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 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: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.783831926160245 -2.690212605000000 0.000000000000000 b 5.783831926160245 2.690212605000000 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): *1 F 0.32172674043025 0.34431178077777 0.71382933484346 18.998 2 F 0.65568821922223 0.67827325956975 0.78617066515654 18.998 3 F 0.67827325956975 0.65568821922223 0.28617066515654 18.998 4 F 0.34431178077777 0.32172674043025 0.21382933484346 18.998 *5 F 0.81012663880649 0.06547962664489 0.86043646352318 18.998 6 F 0.93452037335511 0.18987336119351 0.63956353647682 18.998 7 F 0.18987336119351 0.93452037335511 0.13956353647682 18.998 8 F 0.06547962664489 0.81012663880649 0.36043646352318 18.998 *9 F 0.26581094657462 0.04595782600453 0.39051913858681 18.998 10 F 0.95404217399547 0.73418905342538 0.10948086141319 18.998 11 F 0.73418905342538 0.95404217399546 0.60948086141319 18.998 12 F 0.04595782600453 0.26581094657462 0.89051913858681 18.998 *13 F 0.59363815900352 0.52171384623205 0.41705597662836 18.998 14 F 0.47828615376795 0.40636184099648 0.08294402337164 18.998 15 F 0.40636184099648 0.47828615376795 0.58294402337164 18.998 16 F 0.52171384623205 0.59363815900352 0.91705597662836 18.998 *17 Na 0.37769841610051 0.89211574041924 0.60186720320361 22.990 18 Na 0.10788425958076 0.62230158389949 0.89813279679639 22.990 19 Na 0.62230158389949 0.10788425958076 0.39813279679639 22.990 20 Na 0.89211574041924 0.37769841610051 0.10186720320361 22.990 *21 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 22 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 *23 Ta 0.68478323304256 0.31521676695744 0.75000000000000 180.948 24 Ta 0.31521676695744 0.68478323304256 0.25000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.567663852320489 0.000000000000000 0.000000000000000 b 0.000000000000000 5.380425210000000 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): *1 F 0.33301926060401 0.01129252017376 0.71382933484346 18.998 > 1 2 F 0.16698073939599 0.51129252017376 0.78617066515654 18.998 > 2 3 F 0.66698073939599 0.98870747982624 0.28617066515654 18.998 > 3 4 F 0.83301926060401 0.48870747982624 0.21382933484346 18.998 > 4 *5 F 0.93780313272569 0.12767649391920 0.86043646352318 18.998 > 5 6 F 0.06219686727431 0.12767649391920 0.63956353647682 18.998 > 6 7 F 0.06219686727431 0.87232350608080 0.13956353647682 18.998 > 7 8 F 0.93780313272569 0.87232350608080 0.36043646352318 18.998 > 8 *9 F 0.15588438628958 0.89007343971496 0.39051913858681 18.998 > 9 10 F 0.84411561371042 0.89007343971496 0.10948086141319 18.998 > 10 11 F 0.84411561371042 0.10992656028504 0.60948086141319 18.998 > 11 12 F 0.15588438628958 0.10992656028504 0.89051913858681 18.998 > 12 *13 F 0.05767600261779 0.46403784361427 0.41705597662836 18.998 > 13 14 F 0.94232399738221 0.46403784361427 0.08294402337164 18.998 > 14 15 F 0.94232399738221 0.53596215638573 0.58294402337164 18.998 > 15 16 F 0.05767600261779 0.53596215638573 0.91705597662836 18.998 > 16 17 F 0.83301926060401 0.51129252017376 0.71382933484346 18.998 > 1 18 F 0.66698073939599 0.01129252017376 0.78617066515654 18.998 > 2 19 F 0.16698073939599 0.48870747982624 0.28617066515654 18.998 > 3 20 F 0.33301926060401 0.98870747982624 0.21382933484346 18.998 > 4 21 F 0.43780313272569 0.62767649391920 0.86043646352318 18.998 > 5 22 F 0.56219686727431 0.62767649391920 0.63956353647682 18.998 > 6 23 F 0.56219686727431 0.37232350608080 0.13956353647682 18.998 > 7 24 F 0.43780313272569 0.37232350608080 0.36043646352318 18.998 > 8 25 F 0.65588438628958 0.39007343971496 0.39051913858681 18.998 > 9 26 F 0.34411561371042 0.39007343971496 0.10948086141319 18.998 > 10 27 F 0.34411561371042 0.60992656028504 0.60948086141319 18.998 > 11 28 F 0.65588438628958 0.60992656028504 0.89051913858681 18.998 > 12 29 F 0.55767600261779 0.96403784361427 0.41705597662836 18.998 > 13 30 F 0.44232399738222 0.96403784361427 0.08294402337164 18.998 > 14 31 F 0.44232399738222 0.03596215638573 0.58294402337164 18.998 > 15 32 F 0.55767600261779 0.03596215638573 0.91705597662836 18.998 > 16 *33 Na 0.13490707825987 0.75720866215937 0.60186720320361 22.990 > 17 34 Na 0.36509292174013 0.25720866215937 0.89813279679639 22.990 > 18 35 Na 0.86509292174013 0.24279133784063 0.39813279679639 22.990 > 19 36 Na 0.63490707825987 0.74279133784063 0.10186720320361 22.990 > 20 *37 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 21 38 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 22 39 Na 0.63490707825987 0.25720866215937 0.60186720320361 22.990 > 17 40 Na 0.86509292174013 0.75720866215937 0.89813279679639 22.990 > 18 41 Na 0.36509292174013 0.74279133784063 0.39813279679639 22.990 > 19 42 Na 0.13490707825987 0.24279133784063 0.10186720320361 22.990 > 20 43 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 21 44 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 22 *45 Ta 0.00000000000000 0.31521676695744 0.75000000000000 180.948 > 23 46 Ta 0.00000000000000 0.68478323304256 0.25000000000000 180.948 > 24 47 Ta 0.50000000000000 0.81521676695744 0.75000000000000 180.948 > 23 48 Ta 0.50000000000000 0.18478323304256 0.25000000000000 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.567663852320489 0.000000000000000 0.000000000000000 b 0.000000000000000 16.141275630000003 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): *1 F 0.33301926060401 0.00376417339125 0.71382933484346 18.998 > 1 2 F 0.33301926060401 0.33709750672459 0.71382933484346 18.998 > 1 3 F 0.33301926060401 0.67043084005792 0.71382933484346 18.998 > 1 4 F 0.16698073939599 0.17043084005792 0.78617066515654 18.998 > 2 5 F 0.16698073939599 0.50376417339125 0.78617066515654 18.998 > 2 6 F 0.16698073939599 0.83709750672459 0.78617066515654 18.998 > 2 7 F 0.66698073939599 0.32956915994208 0.28617066515654 18.998 > 3 8 F 0.66698073939599 0.66290249327541 0.28617066515654 18.998 > 3 9 F 0.66698073939599 0.99623582660875 0.28617066515654 18.998 > 3 10 F 0.83301926060401 0.16290249327541 0.21382933484346 18.998 > 4 11 F 0.83301926060401 0.49623582660875 0.21382933484346 18.998 > 4 12 F 0.83301926060401 0.82956915994208 0.21382933484346 18.998 > 4 *13 F 0.93780313272569 0.04255883130640 0.86043646352318 18.998 > 5 14 F 0.93780313272569 0.37589216463973 0.86043646352318 18.998 > 5 15 F 0.93780313272569 0.70922549797307 0.86043646352318 18.998 > 5 16 F 0.06219686727431 0.04255883130640 0.63956353647682 18.998 > 6 17 F 0.06219686727431 0.37589216463973 0.63956353647682 18.998 > 6 18 F 0.06219686727431 0.70922549797307 0.63956353647682 18.998 > 6 19 F 0.06219686727431 0.29077450202693 0.13956353647682 18.998 > 7 20 F 0.06219686727431 0.62410783536027 0.13956353647682 18.998 > 7 21 F 0.06219686727431 0.95744116869360 0.13956353647682 18.998 > 7 22 F 0.93780313272569 0.29077450202693 0.36043646352318 18.998 > 8 23 F 0.93780313272569 0.62410783536027 0.36043646352318 18.998 > 8 24 F 0.93780313272569 0.95744116869360 0.36043646352318 18.998 > 8 *25 F 0.15588438628958 0.29669114657165 0.39051913858681 18.998 > 9 26 F 0.15588438628958 0.63002447990499 0.39051913858681 18.998 > 9 27 F 0.15588438628958 0.96335781323832 0.39051913858681 18.998 > 9 28 F 0.84411561371042 0.29669114657165 0.10948086141319 18.998 > 10 29 F 0.84411561371042 0.63002447990499 0.10948086141319 18.998 > 10 30 F 0.84411561371042 0.96335781323832 0.10948086141319 18.998 > 10 31 F 0.84411561371042 0.03664218676168 0.60948086141319 18.998 > 11 32 F 0.84411561371042 0.36997552009501 0.60948086141319 18.998 > 11 33 F 0.84411561371042 0.70330885342835 0.60948086141319 18.998 > 11 34 F 0.15588438628958 0.03664218676168 0.89051913858681 18.998 > 12 35 F 0.15588438628958 0.36997552009501 0.89051913858681 18.998 > 12 36 F 0.15588438628958 0.70330885342835 0.89051913858681 18.998 > 12 *37 F 0.05767600261779 0.15467928120476 0.41705597662836 18.998 > 13 38 F 0.05767600261779 0.48801261453809 0.41705597662836 18.998 > 13 39 F 0.05767600261779 0.82134594787142 0.41705597662836 18.998 > 13 40 F 0.94232399738221 0.15467928120476 0.08294402337164 18.998 > 14 41 F 0.94232399738221 0.48801261453809 0.08294402337164 18.998 > 14 42 F 0.94232399738221 0.82134594787142 0.08294402337164 18.998 > 14 43 F 0.94232399738221 0.17865405212858 0.58294402337164 18.998 > 15 44 F 0.94232399738221 0.51198738546191 0.58294402337164 18.998 > 15 45 F 0.94232399738221 0.84532071879524 0.58294402337164 18.998 > 15 46 F 0.05767600261779 0.17865405212858 0.91705597662836 18.998 > 16 47 F 0.05767600261779 0.51198738546191 0.91705597662836 18.998 > 16 48 F 0.05767600261779 0.84532071879524 0.91705597662836 18.998 > 16 49 F 0.83301926060401 0.17043084005792 0.71382933484346 18.998 > 1 50 F 0.83301926060401 0.50376417339125 0.71382933484346 18.998 > 1 51 F 0.83301926060401 0.83709750672459 0.71382933484346 18.998 > 1 52 F 0.66698073939599 0.00376417339125 0.78617066515654 18.998 > 2 53 F 0.66698073939599 0.33709750672459 0.78617066515654 18.998 > 2 54 F 0.66698073939599 0.67043084005792 0.78617066515654 18.998 > 2 55 F 0.16698073939599 0.16290249327541 0.28617066515654 18.998 > 3 56 F 0.16698073939599 0.49623582660875 0.28617066515654 18.998 > 3 57 F 0.16698073939599 0.82956915994208 0.28617066515654 18.998 > 3 58 F 0.33301926060401 0.32956915994208 0.21382933484346 18.998 > 4 59 F 0.33301926060401 0.66290249327541 0.21382933484346 18.998 > 4 60 F 0.33301926060401 0.99623582660875 0.21382933484346 18.998 > 4 61 F 0.43780313272569 0.20922549797307 0.86043646352318 18.998 > 5 62 F 0.43780313272569 0.54255883130640 0.86043646352318 18.998 > 5 63 F 0.43780313272569 0.87589216463973 0.86043646352318 18.998 > 5 64 F 0.56219686727431 0.20922549797307 0.63956353647682 18.998 > 6 65 F 0.56219686727431 0.54255883130640 0.63956353647682 18.998 > 6 66 F 0.56219686727431 0.87589216463973 0.63956353647682 18.998 > 6 67 F 0.56219686727431 0.12410783536027 0.13956353647682 18.998 > 7 68 F 0.56219686727431 0.45744116869360 0.13956353647682 18.998 > 7 69 F 0.56219686727431 0.79077450202693 0.13956353647682 18.998 > 7 70 F 0.43780313272569 0.12410783536027 0.36043646352318 18.998 > 8 71 F 0.43780313272569 0.45744116869360 0.36043646352318 18.998 > 8 72 F 0.43780313272569 0.79077450202693 0.36043646352318 18.998 > 8 73 F 0.65588438628958 0.13002447990499 0.39051913858681 18.998 > 9 74 F 0.65588438628958 0.46335781323832 0.39051913858681 18.998 > 9 75 F 0.65588438628958 0.79669114657165 0.39051913858681 18.998 > 9 76 F 0.34411561371042 0.13002447990499 0.10948086141319 18.998 > 10 77 F 0.34411561371042 0.46335781323832 0.10948086141319 18.998 > 10 78 F 0.34411561371042 0.79669114657165 0.10948086141319 18.998 > 10 79 F 0.34411561371042 0.20330885342835 0.60948086141319 18.998 > 11 80 F 0.34411561371042 0.53664218676168 0.60948086141319 18.998 > 11 81 F 0.34411561371042 0.86997552009501 0.60948086141319 18.998 > 11 82 F 0.65588438628958 0.20330885342835 0.89051913858681 18.998 > 12 83 F 0.65588438628958 0.53664218676168 0.89051913858681 18.998 > 12 84 F 0.65588438628958 0.86997552009501 0.89051913858681 18.998 > 12 85 F 0.55767600261779 0.32134594787142 0.41705597662836 18.998 > 13 86 F 0.55767600261779 0.65467928120476 0.41705597662836 18.998 > 13 87 F 0.55767600261779 0.98801261453809 0.41705597662836 18.998 > 13 88 F 0.44232399738222 0.32134594787142 0.08294402337164 18.998 > 14 89 F 0.44232399738222 0.65467928120476 0.08294402337164 18.998 > 14 90 F 0.44232399738222 0.98801261453809 0.08294402337164 18.998 > 14 91 F 0.44232399738222 0.01198738546191 0.58294402337164 18.998 > 15 92 F 0.44232399738222 0.34532071879524 0.58294402337164 18.998 > 15 93 F 0.44232399738222 0.67865405212858 0.58294402337164 18.998 > 15 94 F 0.55767600261779 0.01198738546191 0.91705597662836 18.998 > 16 95 F 0.55767600261779 0.34532071879524 0.91705597662836 18.998 > 16 96 F 0.55767600261779 0.67865405212858 0.91705597662836 18.998 > 16 *97 Na 0.13490707825987 0.25240288738646 0.60186720320361 22.990 > 17 98 Na 0.13490707825987 0.58573622071979 0.60186720320361 22.990 > 17 99 Na 0.13490707825987 0.91906955405312 0.60186720320361 22.990 > 17 100 Na 0.36509292174013 0.08573622071979 0.89813279679639 22.990 > 18 101 Na 0.36509292174013 0.41906955405312 0.89813279679639 22.990 > 18 102 Na 0.36509292174013 0.75240288738646 0.89813279679639 22.990 > 18 103 Na 0.86509292174013 0.08093044594688 0.39813279679639 22.990 > 19 104 Na 0.86509292174013 0.41426377928021 0.39813279679639 22.990 > 19 105 Na 0.86509292174013 0.74759711261354 0.39813279679639 22.990 > 19 106 Na 0.63490707825987 0.24759711261354 0.10186720320361 22.990 > 20 107 Na 0.63490707825987 0.58093044594688 0.10186720320361 22.990 > 20 108 Na 0.63490707825987 0.91426377928021 0.10186720320361 22.990 > 20 *109 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 21 110 Na 0.75000000000000 0.58333333333333 0.50000000000000 22.990 > 21 111 Na 0.75000000000000 0.91666666666667 0.50000000000000 22.990 > 21 112 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 22 113 Na 0.25000000000000 0.58333333333333 0.00000000000000 22.990 > 22 114 Na 0.25000000000000 0.91666666666667 0.00000000000000 22.990 > 22 115 Na 0.63490707825987 0.08573622071979 0.60186720320361 22.990 > 17 116 Na 0.63490707825987 0.41906955405312 0.60186720320361 22.990 > 17 117 Na 0.63490707825987 0.75240288738646 0.60186720320361 22.990 > 17 118 Na 0.86509292174013 0.25240288738646 0.89813279679639 22.990 > 18 119 Na 0.86509292174013 0.58573622071979 0.89813279679639 22.990 > 18 120 Na 0.86509292174013 0.91906955405312 0.89813279679639 22.990 > 18 121 Na 0.36509292174013 0.24759711261354 0.39813279679639 22.990 > 19 122 Na 0.36509292174013 0.58093044594688 0.39813279679639 22.990 > 19 123 Na 0.36509292174013 0.91426377928021 0.39813279679639 22.990 > 19 124 Na 0.13490707825987 0.08093044594688 0.10186720320361 22.990 > 20 125 Na 0.13490707825987 0.41426377928021 0.10186720320361 22.990 > 20 126 Na 0.13490707825987 0.74759711261354 0.10186720320361 22.990 > 20 127 Na 0.25000000000000 0.08333333333333 0.50000000000000 22.990 > 21 128 Na 0.25000000000000 0.41666666666667 0.50000000000000 22.990 > 21 129 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 21 130 Na 0.75000000000000 0.08333333333333 0.00000000000000 22.990 > 22 131 Na 0.75000000000000 0.41666666666667 0.00000000000000 22.990 > 22 132 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 22 *133 Ta 0.00000000000000 0.10507225565248 0.75000000000000 180.948 > 23 134 Ta 0.00000000000000 0.43840558898581 0.75000000000000 180.948 > 23 135 Ta 0.00000000000000 0.77173892231915 0.75000000000000 180.948 > 23 136 Ta 0.00000000000000 0.22826107768085 0.25000000000000 180.948 > 24 137 Ta 0.00000000000000 0.56159441101419 0.25000000000000 180.948 > 24 138 Ta 0.00000000000000 0.89492774434752 0.25000000000000 180.948 > 24 139 Ta 0.50000000000000 0.27173892231915 0.75000000000000 180.948 > 23 140 Ta 0.50000000000000 0.60507225565248 0.75000000000000 180.948 > 23 141 Ta 0.50000000000000 0.93840558898581 0.75000000000000 180.948 > 23 142 Ta 0.50000000000000 0.06159441101419 0.25000000000000 180.948 > 24 143 Ta 0.50000000000000 0.39492774434752 0.25000000000000 180.948 > 24 144 Ta 0.50000000000000 0.72826107768085 0.25000000000000 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2189024 0.0000000 0.0017696 0.0000000 2.1273417 0.0000000 0.0017696 0.0000000 2.2315614 -------------------------- Born effective charges -------------------------- 1 F -1.3904875 0.4055199 -0.1668613 0.4667358 -0.9512275 0.0720960 -0.1523153 0.0609245 -0.7087149 2 F -1.3904875 -0.4055199 -0.1668613 -0.4667358 -0.9512275 -0.0720960 -0.1523153 -0.0609245 -0.7087149 3 F -1.3904875 0.4055199 -0.1668613 0.4667358 -0.9512275 0.0720960 -0.1523153 0.0609245 -0.7087149 4 F -1.3904875 -0.4055199 -0.1668613 -0.4667358 -0.9512275 -0.0720960 -0.1523153 -0.0609245 -0.7087149 5 F -1.1447847 -0.4118301 0.4205611 -0.4360569 -0.9666803 0.3186879 0.4176761 0.2948973 -0.9828236 6 F -1.1447847 0.4118301 0.4205611 0.4360569 -0.9666803 -0.3186879 0.4176761 -0.2948973 -0.9828236 7 F -1.1447847 -0.4118301 0.4205611 -0.4360569 -0.9666803 0.3186879 0.4176761 0.2948973 -0.9828236 8 F -1.1447847 0.4118301 0.4205611 0.4360569 -0.9666803 -0.3186879 0.4176761 -0.2948973 -0.9828236 9 F -0.9219504 -0.2963285 -0.4075128 -0.3004587 -0.9824904 -0.4207138 -0.4166280 -0.4106759 -1.1904504 10 F -0.9219504 0.2963285 -0.4075128 0.3004587 -0.9824904 0.4207138 -0.4166280 0.4106759 -1.1904504 11 F -0.9219504 -0.2963285 -0.4075128 -0.3004587 -0.9824904 -0.4207138 -0.4166280 -0.4106759 -1.1904504 12 F -0.9219504 0.2963285 -0.4075128 0.3004587 -0.9824904 0.4207138 -0.4166280 0.4106759 -1.1904504 13 F -0.6740571 -0.1008130 0.1284500 -0.1077150 -1.0212880 0.4930104 0.1185297 0.4470513 -1.3636918 14 F -0.6740571 0.1008130 0.1284500 0.1077150 -1.0212880 -0.4930104 0.1185297 -0.4470513 -1.3636918 15 F -0.6740571 -0.1008130 0.1284500 -0.1077150 -1.0212880 0.4930104 0.1185297 0.4470513 -1.3636918 16 F -0.6740571 0.1008130 0.1284500 0.1077150 -1.0212880 -0.4930104 0.1185297 -0.4470513 -1.3636918 17 Na 1.1840290 0.0266926 -0.0478206 0.0580313 1.0240610 -0.0013820 -0.0407175 0.0370462 1.1543745 18 Na 1.1840290 -0.0266926 -0.0478206 -0.0580313 1.0240610 0.0013820 -0.0407175 -0.0370462 1.1543745 19 Na 1.1840290 0.0266926 -0.0478206 0.0580313 1.0240610 -0.0013820 -0.0407175 0.0370462 1.1543745 20 Na 1.1840290 -0.0266926 -0.0478206 -0.0580313 1.0240610 0.0013820 -0.0407175 -0.0370462 1.1543745 21 Na 1.0111894 0.0139580 0.1528156 -0.0785849 1.2618237 -0.0735393 0.1474967 -0.0181353 1.1709565 22 Na 1.0111894 -0.0139580 0.1528156 0.0785849 1.2618237 0.0735393 0.1474967 0.0181353 1.1709565 23 Ta 4.8833119 0.0000000 -0.0064482 0.0000000 4.5334266 0.0000000 -0.0005866 0.0000000 5.0116560 24 Ta 4.8833119 0.0000000 -0.0064482 0.0000000 4.5334266 0.0000000 -0.0005866 0.0000000 5.0116560 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 19728/19728 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 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: 872 Use submatrix version of eigh solver. (1) Block: 500 / 872 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 872 / 872 (1) 363 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 860 Use submatrix version of eigh solver. (1) Block: 500 / 860 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 860 / 860 (1) 348 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 860 Use submatrix version of eigh solver. (1) Block: 500 / 860 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 860 / 860 (1) 348 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 484 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3986), data: False |-- (484, 477), data: True |-- (484, 477), data: True |-- (484, 477), data: True |-- (860, 848), data: False |-- (860, 12), data: (860, 24) @ (24, 12) |-- (360, 348), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (860, 848), data: False |-- (860, 12), data: (860, 24) @ (24, 12) |-- (360, 348), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (872, 859), data: False |-- (872, 9), data: (872, 22) @ (22, 9) |-- (372, 363), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.259 Solver_block: 200 / 720 - Time: 1.165 Solver_block: 300 / 720 - Time: 1.160 Solver_block: 400 / 720 - Time: 1.168 Solver_block: 500 / 720 - Time: 1.159 Solver_block: 600 / 720 - Time: 1.169 Solver_block: 700 / 720 - Time: 1.173 Solver_block: 720 / 720 - Time: 0.359 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.832 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 19728/19728 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 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: 872 Use submatrix version of eigh solver. (1) Block: 500 / 872 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 872 / 872 (1) 363 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 860 Use submatrix version of eigh solver. (1) Block: 500 / 860 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 860 / 860 (1) 348 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 860 Use submatrix version of eigh solver. (1) Block: 500 / 860 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 860 / 860 (1) 348 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 484 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3986), data: False |-- (484, 477), data: True |-- (484, 477), data: True |-- (484, 477), data: True |-- (860, 848), data: False |-- (860, 12), data: (860, 24) @ (24, 12) |-- (360, 348), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (860, 848), data: False |-- (860, 12), data: (860, 24) @ (24, 12) |-- (360, 348), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (872, 859), data: False |-- (872, 9), data: (872, 22) @ (22, 9) |-- (372, 363), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), 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 03:07:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:07:52]------------------------- 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 3 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 5.783831926160245 -2.690212605000000 0.000000000000000 b 5.783831926160245 2.690212605000000 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): 1 F 0.32172674043025 0.34431178077777 0.71382933484346 18.998 2 F 0.65568821922223 0.67827325956975 0.78617066515654 18.998 3 F 0.67827325956975 0.65568821922223 0.28617066515654 18.998 4 F 0.34431178077777 0.32172674043025 0.21382933484346 18.998 5 F 0.81012663880649 0.06547962664489 0.86043646352318 18.998 6 F 0.93452037335511 0.18987336119351 0.63956353647682 18.998 7 F 0.18987336119351 0.93452037335511 0.13956353647682 18.998 8 F 0.06547962664489 0.81012663880649 0.36043646352318 18.998 9 F 0.26581094657462 0.04595782600453 0.39051913858681 18.998 10 F 0.95404217399547 0.73418905342538 0.10948086141319 18.998 11 F 0.73418905342538 0.95404217399546 0.60948086141319 18.998 12 F 0.04595782600453 0.26581094657462 0.89051913858681 18.998 13 F 0.59363815900352 0.52171384623205 0.41705597662836 18.998 14 F 0.47828615376795 0.40636184099648 0.08294402337164 18.998 15 F 0.40636184099648 0.47828615376795 0.58294402337164 18.998 16 F 0.52171384623205 0.59363815900352 0.91705597662836 18.998 17 Na 0.37769841610051 0.89211574041924 0.60186720320361 22.990 18 Na 0.10788425958076 0.62230158389949 0.89813279679639 22.990 19 Na 0.62230158389949 0.10788425958076 0.39813279679639 22.990 20 Na 0.89211574041924 0.37769841610051 0.10186720320361 22.990 21 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 22 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 23 Ta 0.68478323304256 0.31521676695744 0.75000000000000 180.948 24 Ta 0.31521676695744 0.68478323304256 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.567663852320489 0.000000000000000 0.000000000000000 b 0.000000000000000 16.141275630000003 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): 1 F 0.33301926060401 0.00376417339125 0.71382933484346 18.998 > 1 2 F 0.33301926060401 0.33709750672459 0.71382933484346 18.998 > 1 3 F 0.33301926060401 0.67043084005792 0.71382933484346 18.998 > 1 4 F 0.16698073939599 0.17043084005792 0.78617066515654 18.998 > 4 5 F 0.16698073939599 0.50376417339125 0.78617066515654 18.998 > 4 6 F 0.16698073939599 0.83709750672459 0.78617066515654 18.998 > 4 7 F 0.66698073939599 0.32956915994208 0.28617066515654 18.998 > 7 8 F 0.66698073939599 0.66290249327541 0.28617066515654 18.998 > 7 9 F 0.66698073939599 0.99623582660875 0.28617066515654 18.998 > 7 10 F 0.83301926060401 0.16290249327541 0.21382933484346 18.998 > 10 11 F 0.83301926060401 0.49623582660875 0.21382933484346 18.998 > 10 12 F 0.83301926060401 0.82956915994208 0.21382933484346 18.998 > 10 13 F 0.93780313272569 0.04255883130640 0.86043646352318 18.998 > 13 14 F 0.93780313272569 0.37589216463973 0.86043646352318 18.998 > 13 15 F 0.93780313272569 0.70922549797307 0.86043646352318 18.998 > 13 16 F 0.06219686727431 0.04255883130640 0.63956353647682 18.998 > 16 17 F 0.06219686727431 0.37589216463973 0.63956353647682 18.998 > 16 18 F 0.06219686727431 0.70922549797307 0.63956353647682 18.998 > 16 19 F 0.06219686727431 0.29077450202693 0.13956353647682 18.998 > 19 20 F 0.06219686727431 0.62410783536027 0.13956353647682 18.998 > 19 21 F 0.06219686727431 0.95744116869360 0.13956353647682 18.998 > 19 22 F 0.93780313272569 0.29077450202693 0.36043646352318 18.998 > 22 23 F 0.93780313272569 0.62410783536027 0.36043646352318 18.998 > 22 24 F 0.93780313272569 0.95744116869360 0.36043646352318 18.998 > 22 25 F 0.15588438628958 0.29669114657165 0.39051913858681 18.998 > 25 26 F 0.15588438628958 0.63002447990499 0.39051913858681 18.998 > 25 27 F 0.15588438628958 0.96335781323832 0.39051913858681 18.998 > 25 28 F 0.84411561371042 0.29669114657165 0.10948086141319 18.998 > 28 29 F 0.84411561371042 0.63002447990499 0.10948086141319 18.998 > 28 30 F 0.84411561371042 0.96335781323832 0.10948086141319 18.998 > 28 31 F 0.84411561371042 0.03664218676168 0.60948086141319 18.998 > 31 32 F 0.84411561371042 0.36997552009501 0.60948086141319 18.998 > 31 33 F 0.84411561371042 0.70330885342835 0.60948086141319 18.998 > 31 34 F 0.15588438628958 0.03664218676168 0.89051913858681 18.998 > 34 35 F 0.15588438628958 0.36997552009501 0.89051913858681 18.998 > 34 36 F 0.15588438628958 0.70330885342835 0.89051913858681 18.998 > 34 37 F 0.05767600261779 0.15467928120476 0.41705597662836 18.998 > 37 38 F 0.05767600261779 0.48801261453809 0.41705597662836 18.998 > 37 39 F 0.05767600261779 0.82134594787142 0.41705597662836 18.998 > 37 40 F 0.94232399738221 0.15467928120476 0.08294402337164 18.998 > 40 41 F 0.94232399738221 0.48801261453809 0.08294402337164 18.998 > 40 42 F 0.94232399738221 0.82134594787142 0.08294402337164 18.998 > 40 43 F 0.94232399738221 0.17865405212858 0.58294402337164 18.998 > 43 44 F 0.94232399738221 0.51198738546191 0.58294402337164 18.998 > 43 45 F 0.94232399738221 0.84532071879524 0.58294402337164 18.998 > 43 46 F 0.05767600261779 0.17865405212858 0.91705597662836 18.998 > 46 47 F 0.05767600261779 0.51198738546191 0.91705597662836 18.998 > 46 48 F 0.05767600261779 0.84532071879524 0.91705597662836 18.998 > 46 49 F 0.83301926060401 0.17043084005792 0.71382933484346 18.998 > 1 50 F 0.83301926060401 0.50376417339125 0.71382933484346 18.998 > 1 51 F 0.83301926060401 0.83709750672459 0.71382933484346 18.998 > 1 52 F 0.66698073939599 0.00376417339125 0.78617066515654 18.998 > 4 53 F 0.66698073939599 0.33709750672459 0.78617066515654 18.998 > 4 54 F 0.66698073939599 0.67043084005792 0.78617066515654 18.998 > 4 55 F 0.16698073939599 0.16290249327541 0.28617066515654 18.998 > 7 56 F 0.16698073939599 0.49623582660875 0.28617066515654 18.998 > 7 57 F 0.16698073939599 0.82956915994208 0.28617066515654 18.998 > 7 58 F 0.33301926060401 0.32956915994208 0.21382933484346 18.998 > 10 59 F 0.33301926060401 0.66290249327541 0.21382933484346 18.998 > 10 60 F 0.33301926060401 0.99623582660875 0.21382933484346 18.998 > 10 61 F 0.43780313272569 0.20922549797307 0.86043646352318 18.998 > 13 62 F 0.43780313272569 0.54255883130640 0.86043646352318 18.998 > 13 63 F 0.43780313272569 0.87589216463973 0.86043646352318 18.998 > 13 64 F 0.56219686727431 0.20922549797307 0.63956353647682 18.998 > 16 65 F 0.56219686727431 0.54255883130640 0.63956353647682 18.998 > 16 66 F 0.56219686727431 0.87589216463973 0.63956353647682 18.998 > 16 67 F 0.56219686727431 0.12410783536027 0.13956353647682 18.998 > 19 68 F 0.56219686727431 0.45744116869360 0.13956353647682 18.998 > 19 69 F 0.56219686727431 0.79077450202693 0.13956353647682 18.998 > 19 70 F 0.43780313272569 0.12410783536027 0.36043646352318 18.998 > 22 71 F 0.43780313272569 0.45744116869360 0.36043646352318 18.998 > 22 72 F 0.43780313272569 0.79077450202693 0.36043646352318 18.998 > 22 73 F 0.65588438628958 0.13002447990499 0.39051913858681 18.998 > 25 74 F 0.65588438628958 0.46335781323832 0.39051913858681 18.998 > 25 75 F 0.65588438628958 0.79669114657165 0.39051913858681 18.998 > 25 76 F 0.34411561371042 0.13002447990499 0.10948086141319 18.998 > 28 77 F 0.34411561371042 0.46335781323832 0.10948086141319 18.998 > 28 78 F 0.34411561371042 0.79669114657165 0.10948086141319 18.998 > 28 79 F 0.34411561371042 0.20330885342835 0.60948086141319 18.998 > 31 80 F 0.34411561371042 0.53664218676168 0.60948086141319 18.998 > 31 81 F 0.34411561371042 0.86997552009501 0.60948086141319 18.998 > 31 82 F 0.65588438628958 0.20330885342835 0.89051913858681 18.998 > 34 83 F 0.65588438628958 0.53664218676168 0.89051913858681 18.998 > 34 84 F 0.65588438628958 0.86997552009501 0.89051913858681 18.998 > 34 85 F 0.55767600261779 0.32134594787142 0.41705597662836 18.998 > 37 86 F 0.55767600261779 0.65467928120476 0.41705597662836 18.998 > 37 87 F 0.55767600261779 0.98801261453809 0.41705597662836 18.998 > 37 88 F 0.44232399738222 0.32134594787142 0.08294402337164 18.998 > 40 89 F 0.44232399738222 0.65467928120476 0.08294402337164 18.998 > 40 90 F 0.44232399738222 0.98801261453809 0.08294402337164 18.998 > 40 91 F 0.44232399738222 0.01198738546191 0.58294402337164 18.998 > 43 92 F 0.44232399738222 0.34532071879524 0.58294402337164 18.998 > 43 93 F 0.44232399738222 0.67865405212858 0.58294402337164 18.998 > 43 94 F 0.55767600261779 0.01198738546191 0.91705597662836 18.998 > 46 95 F 0.55767600261779 0.34532071879524 0.91705597662836 18.998 > 46 96 F 0.55767600261779 0.67865405212858 0.91705597662836 18.998 > 46 97 Na 0.13490707825987 0.25240288738646 0.60186720320361 22.990 > 97 98 Na 0.13490707825987 0.58573622071979 0.60186720320361 22.990 > 97 99 Na 0.13490707825987 0.91906955405312 0.60186720320361 22.990 > 97 100 Na 0.36509292174013 0.08573622071979 0.89813279679639 22.990 > 100 101 Na 0.36509292174013 0.41906955405312 0.89813279679639 22.990 > 100 102 Na 0.36509292174013 0.75240288738646 0.89813279679639 22.990 > 100 103 Na 0.86509292174013 0.08093044594688 0.39813279679639 22.990 > 103 104 Na 0.86509292174013 0.41426377928021 0.39813279679639 22.990 > 103 105 Na 0.86509292174013 0.74759711261354 0.39813279679639 22.990 > 103 106 Na 0.63490707825987 0.24759711261354 0.10186720320361 22.990 > 106 107 Na 0.63490707825987 0.58093044594688 0.10186720320361 22.990 > 106 108 Na 0.63490707825987 0.91426377928021 0.10186720320361 22.990 > 106 109 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 109 110 Na 0.75000000000000 0.58333333333333 0.50000000000000 22.990 > 109 111 Na 0.75000000000000 0.91666666666667 0.50000000000000 22.990 > 109 112 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 112 113 Na 0.25000000000000 0.58333333333333 0.00000000000000 22.990 > 112 114 Na 0.25000000000000 0.91666666666667 0.00000000000000 22.990 > 112 115 Na 0.63490707825987 0.08573622071979 0.60186720320361 22.990 > 97 116 Na 0.63490707825987 0.41906955405312 0.60186720320361 22.990 > 97 117 Na 0.63490707825987 0.75240288738646 0.60186720320361 22.990 > 97 118 Na 0.86509292174013 0.25240288738646 0.89813279679639 22.990 > 100 119 Na 0.86509292174013 0.58573622071979 0.89813279679639 22.990 > 100 120 Na 0.86509292174013 0.91906955405312 0.89813279679639 22.990 > 100 121 Na 0.36509292174013 0.24759711261354 0.39813279679639 22.990 > 103 122 Na 0.36509292174013 0.58093044594688 0.39813279679639 22.990 > 103 123 Na 0.36509292174013 0.91426377928021 0.39813279679639 22.990 > 103 124 Na 0.13490707825987 0.08093044594688 0.10186720320361 22.990 > 106 125 Na 0.13490707825987 0.41426377928021 0.10186720320361 22.990 > 106 126 Na 0.13490707825987 0.74759711261354 0.10186720320361 22.990 > 106 127 Na 0.25000000000000 0.08333333333333 0.50000000000000 22.990 > 109 128 Na 0.25000000000000 0.41666666666667 0.50000000000000 22.990 > 109 129 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 109 130 Na 0.75000000000000 0.08333333333333 0.00000000000000 22.990 > 112 131 Na 0.75000000000000 0.41666666666667 0.00000000000000 22.990 > 112 132 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 112 133 Ta 0.00000000000000 0.10507225565248 0.75000000000000 180.948 > 133 134 Ta 0.00000000000000 0.43840558898581 0.75000000000000 180.948 > 133 135 Ta 0.00000000000000 0.77173892231915 0.75000000000000 180.948 > 133 136 Ta 0.00000000000000 0.22826107768085 0.25000000000000 180.948 > 136 137 Ta 0.00000000000000 0.56159441101419 0.25000000000000 180.948 > 136 138 Ta 0.00000000000000 0.89492774434752 0.25000000000000 180.948 > 136 139 Ta 0.50000000000000 0.27173892231915 0.75000000000000 180.948 > 133 140 Ta 0.50000000000000 0.60507225565248 0.75000000000000 180.948 > 133 141 Ta 0.50000000000000 0.93840558898581 0.75000000000000 180.948 > 133 142 Ta 0.50000000000000 0.06159441101419 0.25000000000000 180.948 > 136 143 Ta 0.50000000000000 0.39492774434752 0.25000000000000 180.948 > 136 144 Ta 0.50000000000000 0.72826107768085 0.25000000000000 180.948 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2189024 0.0000000 0.0017696 0.0000000 2.1273417 0.0000000 0.0017696 0.0000000 2.2315614 -------------------------- Born effective charges -------------------------- 1 F -1.3904875 0.4055199 -0.1668613 0.4667358 -0.9512275 0.0720960 -0.1523153 0.0609245 -0.7087149 2 F -1.3904875 -0.4055199 -0.1668613 -0.4667358 -0.9512275 -0.0720960 -0.1523153 -0.0609245 -0.7087149 3 F -1.3904875 0.4055199 -0.1668613 0.4667358 -0.9512275 0.0720960 -0.1523153 0.0609245 -0.7087149 4 F -1.3904875 -0.4055199 -0.1668613 -0.4667358 -0.9512275 -0.0720960 -0.1523153 -0.0609245 -0.7087149 5 F -1.1447847 -0.4118301 0.4205611 -0.4360569 -0.9666803 0.3186879 0.4176761 0.2948973 -0.9828236 6 F -1.1447847 0.4118301 0.4205611 0.4360569 -0.9666803 -0.3186879 0.4176761 -0.2948973 -0.9828236 7 F -1.1447847 -0.4118301 0.4205611 -0.4360569 -0.9666803 0.3186879 0.4176761 0.2948973 -0.9828236 8 F -1.1447847 0.4118301 0.4205611 0.4360569 -0.9666803 -0.3186879 0.4176761 -0.2948973 -0.9828236 9 F -0.9219504 -0.2963285 -0.4075128 -0.3004587 -0.9824904 -0.4207138 -0.4166280 -0.4106759 -1.1904504 10 F -0.9219504 0.2963285 -0.4075128 0.3004587 -0.9824904 0.4207138 -0.4166280 0.4106759 -1.1904504 11 F -0.9219504 -0.2963285 -0.4075128 -0.3004587 -0.9824904 -0.4207138 -0.4166280 -0.4106759 -1.1904504 12 F -0.9219504 0.2963285 -0.4075128 0.3004587 -0.9824904 0.4207138 -0.4166280 0.4106759 -1.1904504 13 F -0.6740571 -0.1008130 0.1284500 -0.1077150 -1.0212880 0.4930104 0.1185297 0.4470513 -1.3636918 14 F -0.6740571 0.1008130 0.1284500 0.1077150 -1.0212880 -0.4930104 0.1185297 -0.4470513 -1.3636918 15 F -0.6740571 -0.1008130 0.1284500 -0.1077150 -1.0212880 0.4930104 0.1185297 0.4470513 -1.3636918 16 F -0.6740571 0.1008130 0.1284500 0.1077150 -1.0212880 -0.4930104 0.1185297 -0.4470513 -1.3636918 17 Na 1.1840290 0.0266926 -0.0478206 0.0580313 1.0240610 -0.0013820 -0.0407175 0.0370462 1.1543745 18 Na 1.1840290 -0.0266926 -0.0478206 -0.0580313 1.0240610 0.0013820 -0.0407175 -0.0370462 1.1543745 19 Na 1.1840290 0.0266926 -0.0478206 0.0580313 1.0240610 -0.0013820 -0.0407175 0.0370462 1.1543745 20 Na 1.1840290 -0.0266926 -0.0478206 -0.0580313 1.0240610 0.0013820 -0.0407175 -0.0370462 1.1543745 21 Na 1.0111894 0.0139580 0.1528156 -0.0785849 1.2618237 -0.0735393 0.1474967 -0.0181353 1.1709565 22 Na 1.0111894 -0.0139580 0.1528156 0.0785849 1.2618237 0.0735393 0.1474967 0.0181353 1.1709565 23 Ta 4.8833119 0.0000000 -0.0064482 0.0000000 4.5334266 0.0000000 -0.0005866 0.0000000 5.0116560 24 Ta 4.8833119 0.0000000 -0.0064482 0.0000000 4.5334266 0.0000000 -0.0005866 0.0000000 5.0116560 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 109, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 133, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:08:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:08:38]------------------------- 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 3 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 5.783831926160245 -2.690212605000000 0.000000000000000 b 5.783831926160245 2.690212605000000 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): 1 F 0.32172674043025 0.34431178077777 0.71382933484346 18.998 2 F 0.65568821922223 0.67827325956975 0.78617066515654 18.998 3 F 0.67827325956975 0.65568821922223 0.28617066515654 18.998 4 F 0.34431178077777 0.32172674043025 0.21382933484346 18.998 5 F 0.81012663880649 0.06547962664489 0.86043646352318 18.998 6 F 0.93452037335511 0.18987336119351 0.63956353647682 18.998 7 F 0.18987336119351 0.93452037335511 0.13956353647682 18.998 8 F 0.06547962664489 0.81012663880649 0.36043646352318 18.998 9 F 0.26581094657462 0.04595782600453 0.39051913858681 18.998 10 F 0.95404217399547 0.73418905342538 0.10948086141319 18.998 11 F 0.73418905342538 0.95404217399546 0.60948086141319 18.998 12 F 0.04595782600453 0.26581094657462 0.89051913858681 18.998 13 F 0.59363815900352 0.52171384623205 0.41705597662836 18.998 14 F 0.47828615376795 0.40636184099648 0.08294402337164 18.998 15 F 0.40636184099648 0.47828615376795 0.58294402337164 18.998 16 F 0.52171384623205 0.59363815900352 0.91705597662836 18.998 17 Na 0.37769841610051 0.89211574041924 0.60186720320361 22.990 18 Na 0.10788425958076 0.62230158389949 0.89813279679639 22.990 19 Na 0.62230158389949 0.10788425958076 0.39813279679639 22.990 20 Na 0.89211574041924 0.37769841610051 0.10186720320361 22.990 21 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 22 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 23 Ta 0.68478323304256 0.31521676695744 0.75000000000000 180.948 24 Ta 0.31521676695744 0.68478323304256 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.567663852320489 0.000000000000000 0.000000000000000 b 0.000000000000000 16.141275630000003 0.000000000000000 c -5.766303127613080 0.000000000000000 9.567854244208705 Atomic positions (fractional): 1 F 0.33301926060401 0.00376417339125 0.71382933484346 18.998 > 1 2 F 0.33301926060401 0.33709750672459 0.71382933484346 18.998 > 1 3 F 0.33301926060401 0.67043084005792 0.71382933484346 18.998 > 1 4 F 0.16698073939599 0.17043084005792 0.78617066515654 18.998 > 4 5 F 0.16698073939599 0.50376417339125 0.78617066515654 18.998 > 4 6 F 0.16698073939599 0.83709750672459 0.78617066515654 18.998 > 4 7 F 0.66698073939599 0.32956915994208 0.28617066515654 18.998 > 7 8 F 0.66698073939599 0.66290249327541 0.28617066515654 18.998 > 7 9 F 0.66698073939599 0.99623582660875 0.28617066515654 18.998 > 7 10 F 0.83301926060401 0.16290249327541 0.21382933484346 18.998 > 10 11 F 0.83301926060401 0.49623582660875 0.21382933484346 18.998 > 10 12 F 0.83301926060401 0.82956915994208 0.21382933484346 18.998 > 10 13 F 0.93780313272569 0.04255883130640 0.86043646352318 18.998 > 13 14 F 0.93780313272569 0.37589216463973 0.86043646352318 18.998 > 13 15 F 0.93780313272569 0.70922549797307 0.86043646352318 18.998 > 13 16 F 0.06219686727431 0.04255883130640 0.63956353647682 18.998 > 16 17 F 0.06219686727431 0.37589216463973 0.63956353647682 18.998 > 16 18 F 0.06219686727431 0.70922549797307 0.63956353647682 18.998 > 16 19 F 0.06219686727431 0.29077450202693 0.13956353647682 18.998 > 19 20 F 0.06219686727431 0.62410783536027 0.13956353647682 18.998 > 19 21 F 0.06219686727431 0.95744116869360 0.13956353647682 18.998 > 19 22 F 0.93780313272569 0.29077450202693 0.36043646352318 18.998 > 22 23 F 0.93780313272569 0.62410783536027 0.36043646352318 18.998 > 22 24 F 0.93780313272569 0.95744116869360 0.36043646352318 18.998 > 22 25 F 0.15588438628958 0.29669114657165 0.39051913858681 18.998 > 25 26 F 0.15588438628958 0.63002447990499 0.39051913858681 18.998 > 25 27 F 0.15588438628958 0.96335781323832 0.39051913858681 18.998 > 25 28 F 0.84411561371042 0.29669114657165 0.10948086141319 18.998 > 28 29 F 0.84411561371042 0.63002447990499 0.10948086141319 18.998 > 28 30 F 0.84411561371042 0.96335781323832 0.10948086141319 18.998 > 28 31 F 0.84411561371042 0.03664218676168 0.60948086141319 18.998 > 31 32 F 0.84411561371042 0.36997552009501 0.60948086141319 18.998 > 31 33 F 0.84411561371042 0.70330885342835 0.60948086141319 18.998 > 31 34 F 0.15588438628958 0.03664218676168 0.89051913858681 18.998 > 34 35 F 0.15588438628958 0.36997552009501 0.89051913858681 18.998 > 34 36 F 0.15588438628958 0.70330885342835 0.89051913858681 18.998 > 34 37 F 0.05767600261779 0.15467928120476 0.41705597662836 18.998 > 37 38 F 0.05767600261779 0.48801261453809 0.41705597662836 18.998 > 37 39 F 0.05767600261779 0.82134594787142 0.41705597662836 18.998 > 37 40 F 0.94232399738221 0.15467928120476 0.08294402337164 18.998 > 40 41 F 0.94232399738221 0.48801261453809 0.08294402337164 18.998 > 40 42 F 0.94232399738221 0.82134594787142 0.08294402337164 18.998 > 40 43 F 0.94232399738221 0.17865405212858 0.58294402337164 18.998 > 43 44 F 0.94232399738221 0.51198738546191 0.58294402337164 18.998 > 43 45 F 0.94232399738221 0.84532071879524 0.58294402337164 18.998 > 43 46 F 0.05767600261779 0.17865405212858 0.91705597662836 18.998 > 46 47 F 0.05767600261779 0.51198738546191 0.91705597662836 18.998 > 46 48 F 0.05767600261779 0.84532071879524 0.91705597662836 18.998 > 46 49 F 0.83301926060401 0.17043084005792 0.71382933484346 18.998 > 1 50 F 0.83301926060401 0.50376417339125 0.71382933484346 18.998 > 1 51 F 0.83301926060401 0.83709750672459 0.71382933484346 18.998 > 1 52 F 0.66698073939599 0.00376417339125 0.78617066515654 18.998 > 4 53 F 0.66698073939599 0.33709750672459 0.78617066515654 18.998 > 4 54 F 0.66698073939599 0.67043084005792 0.78617066515654 18.998 > 4 55 F 0.16698073939599 0.16290249327541 0.28617066515654 18.998 > 7 56 F 0.16698073939599 0.49623582660875 0.28617066515654 18.998 > 7 57 F 0.16698073939599 0.82956915994208 0.28617066515654 18.998 > 7 58 F 0.33301926060401 0.32956915994208 0.21382933484346 18.998 > 10 59 F 0.33301926060401 0.66290249327541 0.21382933484346 18.998 > 10 60 F 0.33301926060401 0.99623582660875 0.21382933484346 18.998 > 10 61 F 0.43780313272569 0.20922549797307 0.86043646352318 18.998 > 13 62 F 0.43780313272569 0.54255883130640 0.86043646352318 18.998 > 13 63 F 0.43780313272569 0.87589216463973 0.86043646352318 18.998 > 13 64 F 0.56219686727431 0.20922549797307 0.63956353647682 18.998 > 16 65 F 0.56219686727431 0.54255883130640 0.63956353647682 18.998 > 16 66 F 0.56219686727431 0.87589216463973 0.63956353647682 18.998 > 16 67 F 0.56219686727431 0.12410783536027 0.13956353647682 18.998 > 19 68 F 0.56219686727431 0.45744116869360 0.13956353647682 18.998 > 19 69 F 0.56219686727431 0.79077450202693 0.13956353647682 18.998 > 19 70 F 0.43780313272569 0.12410783536027 0.36043646352318 18.998 > 22 71 F 0.43780313272569 0.45744116869360 0.36043646352318 18.998 > 22 72 F 0.43780313272569 0.79077450202693 0.36043646352318 18.998 > 22 73 F 0.65588438628958 0.13002447990499 0.39051913858681 18.998 > 25 74 F 0.65588438628958 0.46335781323832 0.39051913858681 18.998 > 25 75 F 0.65588438628958 0.79669114657165 0.39051913858681 18.998 > 25 76 F 0.34411561371042 0.13002447990499 0.10948086141319 18.998 > 28 77 F 0.34411561371042 0.46335781323832 0.10948086141319 18.998 > 28 78 F 0.34411561371042 0.79669114657165 0.10948086141319 18.998 > 28 79 F 0.34411561371042 0.20330885342835 0.60948086141319 18.998 > 31 80 F 0.34411561371042 0.53664218676168 0.60948086141319 18.998 > 31 81 F 0.34411561371042 0.86997552009501 0.60948086141319 18.998 > 31 82 F 0.65588438628958 0.20330885342835 0.89051913858681 18.998 > 34 83 F 0.65588438628958 0.53664218676168 0.89051913858681 18.998 > 34 84 F 0.65588438628958 0.86997552009501 0.89051913858681 18.998 > 34 85 F 0.55767600261779 0.32134594787142 0.41705597662836 18.998 > 37 86 F 0.55767600261779 0.65467928120476 0.41705597662836 18.998 > 37 87 F 0.55767600261779 0.98801261453809 0.41705597662836 18.998 > 37 88 F 0.44232399738222 0.32134594787142 0.08294402337164 18.998 > 40 89 F 0.44232399738222 0.65467928120476 0.08294402337164 18.998 > 40 90 F 0.44232399738222 0.98801261453809 0.08294402337164 18.998 > 40 91 F 0.44232399738222 0.01198738546191 0.58294402337164 18.998 > 43 92 F 0.44232399738222 0.34532071879524 0.58294402337164 18.998 > 43 93 F 0.44232399738222 0.67865405212858 0.58294402337164 18.998 > 43 94 F 0.55767600261779 0.01198738546191 0.91705597662836 18.998 > 46 95 F 0.55767600261779 0.34532071879524 0.91705597662836 18.998 > 46 96 F 0.55767600261779 0.67865405212858 0.91705597662836 18.998 > 46 97 Na 0.13490707825987 0.25240288738646 0.60186720320361 22.990 > 97 98 Na 0.13490707825987 0.58573622071979 0.60186720320361 22.990 > 97 99 Na 0.13490707825987 0.91906955405312 0.60186720320361 22.990 > 97 100 Na 0.36509292174013 0.08573622071979 0.89813279679639 22.990 > 100 101 Na 0.36509292174013 0.41906955405312 0.89813279679639 22.990 > 100 102 Na 0.36509292174013 0.75240288738646 0.89813279679639 22.990 > 100 103 Na 0.86509292174013 0.08093044594688 0.39813279679639 22.990 > 103 104 Na 0.86509292174013 0.41426377928021 0.39813279679639 22.990 > 103 105 Na 0.86509292174013 0.74759711261354 0.39813279679639 22.990 > 103 106 Na 0.63490707825987 0.24759711261354 0.10186720320361 22.990 > 106 107 Na 0.63490707825987 0.58093044594688 0.10186720320361 22.990 > 106 108 Na 0.63490707825987 0.91426377928021 0.10186720320361 22.990 > 106 109 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 109 110 Na 0.75000000000000 0.58333333333333 0.50000000000000 22.990 > 109 111 Na 0.75000000000000 0.91666666666667 0.50000000000000 22.990 > 109 112 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 112 113 Na 0.25000000000000 0.58333333333333 0.00000000000000 22.990 > 112 114 Na 0.25000000000000 0.91666666666667 0.00000000000000 22.990 > 112 115 Na 0.63490707825987 0.08573622071979 0.60186720320361 22.990 > 97 116 Na 0.63490707825987 0.41906955405312 0.60186720320361 22.990 > 97 117 Na 0.63490707825987 0.75240288738646 0.60186720320361 22.990 > 97 118 Na 0.86509292174013 0.25240288738646 0.89813279679639 22.990 > 100 119 Na 0.86509292174013 0.58573622071979 0.89813279679639 22.990 > 100 120 Na 0.86509292174013 0.91906955405312 0.89813279679639 22.990 > 100 121 Na 0.36509292174013 0.24759711261354 0.39813279679639 22.990 > 103 122 Na 0.36509292174013 0.58093044594688 0.39813279679639 22.990 > 103 123 Na 0.36509292174013 0.91426377928021 0.39813279679639 22.990 > 103 124 Na 0.13490707825987 0.08093044594688 0.10186720320361 22.990 > 106 125 Na 0.13490707825987 0.41426377928021 0.10186720320361 22.990 > 106 126 Na 0.13490707825987 0.74759711261354 0.10186720320361 22.990 > 106 127 Na 0.25000000000000 0.08333333333333 0.50000000000000 22.990 > 109 128 Na 0.25000000000000 0.41666666666667 0.50000000000000 22.990 > 109 129 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 109 130 Na 0.75000000000000 0.08333333333333 0.00000000000000 22.990 > 112 131 Na 0.75000000000000 0.41666666666667 0.00000000000000 22.990 > 112 132 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 112 133 Ta 0.00000000000000 0.10507225565248 0.75000000000000 180.948 > 133 134 Ta 0.00000000000000 0.43840558898581 0.75000000000000 180.948 > 133 135 Ta 0.00000000000000 0.77173892231915 0.75000000000000 180.948 > 133 136 Ta 0.00000000000000 0.22826107768085 0.25000000000000 180.948 > 136 137 Ta 0.00000000000000 0.56159441101419 0.25000000000000 180.948 > 136 138 Ta 0.00000000000000 0.89492774434752 0.25000000000000 180.948 > 136 139 Ta 0.50000000000000 0.27173892231915 0.75000000000000 180.948 > 133 140 Ta 0.50000000000000 0.60507225565248 0.75000000000000 180.948 > 133 141 Ta 0.50000000000000 0.93840558898581 0.75000000000000 180.948 > 133 142 Ta 0.50000000000000 0.06159441101419 0.25000000000000 180.948 > 136 143 Ta 0.50000000000000 0.39492774434752 0.25000000000000 180.948 > 136 144 Ta 0.50000000000000 0.72826107768085 0.25000000000000 180.948 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2189024 0.0000000 0.0017696 0.0000000 2.1273417 0.0000000 0.0017696 0.0000000 2.2315614 -------------------------- Born effective charges -------------------------- 1 F -1.3904875 0.4055199 -0.1668613 0.4667358 -0.9512275 0.0720960 -0.1523153 0.0609245 -0.7087149 2 F -1.3904875 -0.4055199 -0.1668613 -0.4667358 -0.9512275 -0.0720960 -0.1523153 -0.0609245 -0.7087149 3 F -1.3904875 0.4055199 -0.1668613 0.4667358 -0.9512275 0.0720960 -0.1523153 0.0609245 -0.7087149 4 F -1.3904875 -0.4055199 -0.1668613 -0.4667358 -0.9512275 -0.0720960 -0.1523153 -0.0609245 -0.7087149 5 F -1.1447847 -0.4118301 0.4205611 -0.4360569 -0.9666803 0.3186879 0.4176761 0.2948973 -0.9828236 6 F -1.1447847 0.4118301 0.4205611 0.4360569 -0.9666803 -0.3186879 0.4176761 -0.2948973 -0.9828236 7 F -1.1447847 -0.4118301 0.4205611 -0.4360569 -0.9666803 0.3186879 0.4176761 0.2948973 -0.9828236 8 F -1.1447847 0.4118301 0.4205611 0.4360569 -0.9666803 -0.3186879 0.4176761 -0.2948973 -0.9828236 9 F -0.9219504 -0.2963285 -0.4075128 -0.3004587 -0.9824904 -0.4207138 -0.4166280 -0.4106759 -1.1904504 10 F -0.9219504 0.2963285 -0.4075128 0.3004587 -0.9824904 0.4207138 -0.4166280 0.4106759 -1.1904504 11 F -0.9219504 -0.2963285 -0.4075128 -0.3004587 -0.9824904 -0.4207138 -0.4166280 -0.4106759 -1.1904504 12 F -0.9219504 0.2963285 -0.4075128 0.3004587 -0.9824904 0.4207138 -0.4166280 0.4106759 -1.1904504 13 F -0.6740571 -0.1008130 0.1284500 -0.1077150 -1.0212880 0.4930104 0.1185297 0.4470513 -1.3636918 14 F -0.6740571 0.1008130 0.1284500 0.1077150 -1.0212880 -0.4930104 0.1185297 -0.4470513 -1.3636918 15 F -0.6740571 -0.1008130 0.1284500 -0.1077150 -1.0212880 0.4930104 0.1185297 0.4470513 -1.3636918 16 F -0.6740571 0.1008130 0.1284500 0.1077150 -1.0212880 -0.4930104 0.1185297 -0.4470513 -1.3636918 17 Na 1.1840290 0.0266926 -0.0478206 0.0580313 1.0240610 -0.0013820 -0.0407175 0.0370462 1.1543745 18 Na 1.1840290 -0.0266926 -0.0478206 -0.0580313 1.0240610 0.0013820 -0.0407175 -0.0370462 1.1543745 19 Na 1.1840290 0.0266926 -0.0478206 0.0580313 1.0240610 -0.0013820 -0.0407175 0.0370462 1.1543745 20 Na 1.1840290 -0.0266926 -0.0478206 -0.0580313 1.0240610 0.0013820 -0.0407175 -0.0370462 1.1543745 21 Na 1.0111894 0.0139580 0.1528156 -0.0785849 1.2618237 -0.0735393 0.1474967 -0.0181353 1.1709565 22 Na 1.0111894 -0.0139580 0.1528156 0.0785849 1.2618237 0.0735393 0.1474967 0.0181353 1.1709565 23 Ta 4.8833119 0.0000000 -0.0064482 0.0000000 4.5334266 0.0000000 -0.0005866 0.0000000 5.0116560 24 Ta 4.8833119 0.0000000 -0.0064482 0.0000000 4.5334266 0.0000000 -0.0005866 0.0000000 5.0116560 ---------------------------------------------------------------------------- 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 ... [ 11 11 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: 0.62, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 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 0.619 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.307 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.468 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 14.065 ( 0.000 0.000 0.000) 0.000 14.319 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 17.939 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -1.584 -21.891 5.152) 22.545 0.428 ( 10.235 -19.140 1.681) 21.770 0.737 ( 12.857 -20.579 7.813) 25.492 0.876 ( 18.458 -23.057 10.102) 31.215 1.344 ( -0.068 -2.193 -3.358) 4.011 1.432 ( 11.588 -8.090 -9.149) 16.836 2.095 ( -1.147 3.117 -7.810) 8.487 2.312 ( 8.480 3.739 16.923) 19.295 2.645 ( -1.106 -2.556 1.048) 2.976 2.877 ( 0.071 0.782 -2.434) 2.557 2.897 ( 0.661 -1.520 0.654) 1.782 3.001 ( 1.228 1.404 1.755) 2.560 3.225 ( -4.602 -1.773 -0.546) 4.962 3.346 ( -4.747 4.448 4.544) 7.935 3.668 ( -0.473 6.557 -2.931) 7.198 3.860 ( -1.381 3.660 -4.559) 6.007 4.070 ( 0.706 0.871 1.770) 2.095 4.342 ( -2.587 0.956 3.486) 4.445 4.435 ( 8.875 -1.231 2.816) 9.392 4.529 ( 1.444 -1.993 0.949) 2.638 4.684 ( -0.575 -1.290 -0.155) 1.421 4.865 ( -0.539 1.948 0.220) 2.033 5.201 ( -1.169 4.959 -1.204) 5.236 5.278 ( -0.877 2.016 -0.646) 2.291 5.369 ( 2.045 8.125 1.360) 8.488 5.465 ( 4.672 -1.163 -2.953) 5.648 5.763 ( 1.378 -3.173 -4.885) 5.986 5.840 ( 0.513 2.020 -0.512) 2.146 5.876 ( 0.334 0.383 -1.048) 1.165 5.912 ( -1.838 -0.235 2.380) 3.016 6.410 ( -3.071 -0.629 -1.575) 3.509 6.570 ( 5.020 9.256 5.743) 11.994 6.670 ( 2.526 3.343 8.658) 9.619 7.079 ( -2.410 2.061 -1.444) 3.485 7.298 ( 5.143 1.086 6.122) 8.069 7.760 ( 0.775 3.252 2.217) 4.011 8.045 ( -1.648 -0.078 -1.782) 2.429 8.200 ( -0.113 -1.247 -0.907) 1.546 8.425 ( -0.813 -11.820 0.473) 11.857 8.463 ( -0.996 -1.967 0.765) 2.334 8.630 ( -1.348 -1.513 -0.822) 2.186 8.956 ( -20.382 -14.329 -14.890) 29.025 9.301 ( -1.029 -1.663 -0.604) 2.047 9.418 ( 1.780 0.180 -2.070) 2.736 9.676 ( -8.559 0.778 6.895) 11.018 9.980 ( 0.964 4.216 1.568) 4.600 10.293 ( -1.903 -1.877 5.434) 6.056 10.371 ( -1.657 -3.282 0.383) 3.696 10.553 ( -4.742 0.346 -0.175) 4.757 10.596 ( -1.052 0.610 2.499) 2.779 10.613 ( -1.478 0.062 0.893) 1.728 10.736 ( 4.361 2.127 0.816) 4.920 10.859 ( 0.242 2.982 0.509) 3.034 10.935 ( 25.770 5.369 -3.563) 26.564 11.928 ( -0.962 5.161 -1.107) 5.366 12.018 ( -0.948 0.488 -0.670) 1.259 12.159 ( -0.488 3.977 0.188) 4.012 12.407 ( -3.218 -6.827 -2.558) 7.970 12.984 ( 0.809 0.267 0.223) 0.881 13.041 ( 5.128 0.372 0.369) 5.155 13.485 ( 0.474 -1.831 -0.201) 1.902 13.578 ( -2.156 -3.799 -1.254) 4.544 13.706 ( 0.545 -1.022 -0.423) 1.234 13.824 ( 0.287 -0.806 0.462) 0.972 13.889 ( 2.755 -4.964 1.383) 5.843 14.275 ( -9.686 -6.679 -0.185) 11.767 14.649 ( 5.191 -2.044 -10.595) 11.974 14.906 ( 4.566 1.541 -1.376) 5.011 16.305 ( 7.923 13.690 15.820) 22.371 16.765 ( -3.718 8.515 0.741) 9.321 17.913 ( -0.035 -0.248 0.203) 0.322 18.031 ( -4.504 -1.179 -2.312) 5.199 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.679 -18.329 4.492) 18.883 0.809 ( 7.505 -16.638 0.992) 18.279 1.124 ( 6.854 -16.587 4.247) 18.443 1.382 ( 0.991 -5.581 -3.928) 6.897 1.448 ( 10.104 -17.958 4.369) 21.063 1.757 ( 17.413 -18.552 1.628) 25.496 2.012 ( -0.963 0.645 -6.078) 6.187 2.380 ( 0.203 -1.443 2.567) 2.952 2.644 ( -3.872 -0.033 -6.957) 7.962 2.849 ( 2.287 1.162 4.661) 5.321 2.926 ( 0.517 0.323 4.000) 4.046 3.057 ( 4.020 -3.483 0.420) 5.336 3.198 ( -5.402 1.912 3.611) 6.774 3.256 ( -1.505 3.395 1.133) 3.883 3.531 ( -0.386 5.845 -2.907) 6.540 3.767 ( -3.031 2.943 -3.873) 5.731 4.064 ( 1.122 0.366 -1.808) 2.159 4.306 ( 0.026 3.476 3.197) 4.723 4.485 ( 0.409 1.479 -0.286) 1.561 4.587 ( 1.245 -2.684 0.605) 3.020 4.722 ( -0.912 -2.919 -0.000) 3.058 4.817 ( 0.499 3.279 -0.377) 3.338 5.084 ( -0.371 6.517 -0.844) 6.582 5.175 ( -1.532 8.364 2.891) 8.982 5.298 ( 0.703 1.390 -1.191) 1.961 5.541 ( 3.778 -3.139 3.135) 5.827 5.719 ( -1.339 4.386 -3.903) 6.022 5.844 ( 2.242 1.988 0.654) 3.067 5.882 ( 0.559 -2.581 1.048) 2.841 5.908 ( -2.736 -0.126 1.812) 3.284 6.348 ( -4.876 5.085 2.123) 7.358 6.472 ( 1.447 5.522 -2.314) 6.159 6.669 ( 1.856 1.176 1.377) 2.593 7.006 ( -3.048 2.241 -4.756) 6.077 7.351 ( 5.939 2.119 7.428) 9.743 7.696 ( -0.934 4.754 0.496) 4.870 8.065 ( -0.060 -3.049 1.236) 3.291 8.228 ( 0.009 -2.962 -1.322) 3.243 8.454 ( -2.232 -0.470 0.508) 2.336 8.631 ( -2.060 -2.140 -2.548) 3.913 8.694 ( -0.035 -15.129 1.509) 15.204 8.977 ( -9.203 -7.858 -5.847) 13.440 9.320 ( -1.818 -2.205 -1.435) 3.198 9.423 ( 0.477 -0.104 1.172) 1.270 9.630 ( -3.995 0.374 0.272) 4.022 9.912 ( 0.786 5.272 1.808) 5.629 10.317 ( -4.991 -1.273 0.350) 5.163 10.389 ( -2.933 -0.685 1.228) 3.253 10.504 ( 0.924 2.524 -0.778) 2.798 10.578 ( -5.493 0.428 4.412) 7.059 10.643 ( 1.235 -2.202 0.869) 2.670 10.753 ( 2.155 0.322 0.484) 2.232 10.817 ( 3.622 2.238 -0.068) 4.259 11.032 ( 12.024 -0.782 -2.738) 12.356 11.787 ( -0.351 9.180 0.907) 9.231 11.962 ( -1.462 2.989 -3.515) 4.840 12.174 ( 1.603 -3.130 0.314) 3.531 12.458 ( -4.313 -4.613 -2.717) 6.875 12.998 ( 0.647 -0.899 0.206) 1.127 13.068 ( 3.287 0.571 0.266) 3.347 13.530 ( 0.705 -2.359 0.607) 2.536 13.621 ( -1.122 -2.828 -0.152) 3.046 13.739 ( 2.117 -2.025 -0.443) 2.963 13.853 ( 1.198 -1.824 -0.207) 2.192 14.041 ( 4.615 -7.850 1.984) 9.320 14.337 ( -2.567 -5.933 3.115) 7.176 14.689 ( 4.111 -1.750 -1.207) 4.629 14.908 ( 7.282 2.584 -2.880) 8.246 16.171 ( 0.338 11.026 2.849) 11.393 16.526 ( -6.213 15.014 1.003) 16.279 17.918 ( -0.145 -0.248 0.255) 0.384 17.997 ( -2.683 0.635 -1.382) 3.084 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 2.830 -10.267 3.503) 11.211 1.118 ( 3.457 -14.786 0.161) 15.185 1.408 ( 1.291 -11.267 -2.578) 11.630 1.503 ( 6.468 -9.032 -4.054) 11.826 1.803 ( 3.344 -16.478 5.976) 17.845 1.950 ( 1.915 -1.054 -4.235) 4.766 2.184 ( 5.612 -4.896 4.661) 8.786 2.404 ( 0.788 -6.831 -5.714) 8.940 2.577 ( -1.552 -0.464 -5.243) 5.488 2.910 ( -0.186 4.119 3.416) 5.354 2.934 ( 2.510 -3.527 8.725) 9.740 3.090 ( -1.097 1.534 -1.547) 2.440 3.189 ( 0.291 -4.172 -0.790) 4.256 3.221 ( 2.725 2.867 5.312) 6.623 3.473 ( 1.790 1.559 0.627) 2.455 3.680 ( -3.529 1.574 -5.483) 6.708 4.066 ( 0.958 -1.269 -3.421) 3.773 4.277 ( 1.954 2.484 4.542) 5.534 4.409 ( -2.673 5.213 -1.500) 6.047 4.615 ( -3.897 0.401 0.028) 3.918 4.704 ( -0.033 2.390 1.322) 2.732 4.795 ( 3.309 0.876 -2.600) 4.298 5.002 ( 1.080 2.659 -0.601) 2.933 5.046 ( -0.988 7.867 5.701) 9.765 5.295 ( -1.080 -1.233 -2.220) 2.760 5.598 ( -3.265 4.643 -1.716) 5.930 5.632 ( 2.831 -0.718 2.907) 4.121 5.829 ( 0.901 0.862 2.827) 3.090 5.883 ( -3.619 0.837 3.421) 5.050 5.960 ( 5.208 -3.089 -1.784) 6.313 6.206 ( -1.981 7.711 1.865) 8.177 6.394 ( -3.436 1.473 -4.259) 5.667 6.665 ( 1.275 1.209 -2.229) 2.839 6.913 ( -3.098 2.248 -6.801) 7.804 7.380 ( 4.743 3.802 7.724) 9.829 7.602 ( -3.062 3.810 -1.617) 5.149 8.140 ( 1.525 -2.945 4.844) 5.870 8.284 ( 0.597 -3.741 -1.045) 3.930 8.442 ( -1.941 0.172 0.348) 1.980 8.612 ( -3.050 -0.080 -3.303) 4.497 8.953 ( -1.247 -13.552 0.920) 13.641 9.032 ( -3.328 -7.306 -1.547) 8.176 9.328 ( -1.811 -1.394 -1.570) 2.773 9.440 ( -0.369 -0.484 3.757) 3.806 9.608 ( -2.268 -1.600 -3.664) 4.597 9.839 ( 0.826 5.006 2.053) 5.473 10.258 ( -6.686 1.684 -0.545) 6.916 10.362 ( -0.033 2.502 -0.847) 2.641 10.495 ( 1.357 -0.072 0.429) 1.425 10.541 ( -4.229 1.798 4.196) 6.223 10.640 ( -4.452 0.873 -0.370) 4.551 10.790 ( 6.758 -0.755 1.233) 6.911 10.850 ( 0.614 -3.077 -1.487) 3.472 11.126 ( 7.330 -2.515 -1.418) 7.878 11.661 ( 3.198 7.944 3.793) 9.366 11.870 ( -2.906 2.965 -5.802) 7.134 12.253 ( 2.486 -3.512 0.676) 4.355 12.478 ( -4.098 -3.157 -2.500) 5.746 13.021 ( 0.425 -1.033 0.202) 1.136 13.078 ( 1.820 0.584 0.024) 1.911 13.569 ( -0.321 -1.447 0.937) 1.753 13.650 ( -1.241 -1.929 -0.441) 2.335 13.802 ( 3.758 -2.399 0.183) 4.462 13.902 ( 1.491 -2.903 -0.834) 3.368 14.210 ( 3.964 -6.144 2.177) 7.629 14.482 ( 2.947 -8.545 5.807) 10.744 14.763 ( 2.934 -3.059 3.679) 5.613 14.906 ( 6.735 2.067 -4.555) 8.390 15.970 ( -2.615 11.343 -3.879) 12.270 16.197 ( -6.647 17.530 1.120) 18.782 17.921 ( -0.271 -0.123 0.163) 0.339 17.960 ( -1.844 0.899 -0.812) 2.206 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 1.148 -4.164 1.617) 4.612 1.359 ( 3.013 -10.223 -0.029) 10.658 1.537 ( 1.997 -5.243 -4.619) 7.267 1.699 ( 3.237 -10.531 -3.983) 11.715 1.982 ( 2.683 -2.867 -2.775) 4.808 2.111 ( 0.405 -12.532 8.129) 14.944 2.134 ( -2.897 5.665 0.156) 6.365 2.461 ( 0.620 2.085 -1.788) 2.816 2.671 ( -1.321 -10.565 -0.458) 10.657 2.842 ( -0.959 2.089 -1.962) 3.022 3.010 ( 1.835 2.052 5.100) 5.796 3.093 ( 3.746 -0.741 3.227) 5.000 3.220 ( 0.786 -1.071 1.730) 2.181 3.288 ( 2.403 -3.338 1.608) 4.416 3.474 ( 3.775 2.089 0.843) 4.396 3.606 ( -3.269 0.859 -6.212) 7.072 4.083 ( 0.708 -1.642 -4.508) 4.850 4.274 ( -3.681 5.332 -0.381) 6.490 4.310 ( 2.629 -0.352 4.924) 5.593 4.521 ( -3.718 4.371 0.969) 5.820 4.717 ( 0.256 -1.175 0.662) 1.373 4.780 ( 3.371 2.947 -1.657) 4.774 4.960 ( -1.188 3.342 4.398) 5.651 4.994 ( 1.892 -0.196 -1.371) 2.345 5.268 ( -1.854 1.661 -2.472) 3.508 5.484 ( -4.116 4.614 -1.743) 6.424 5.638 ( 0.583 2.052 1.402) 2.553 5.864 ( -1.952 -1.556 1.941) 3.162 5.888 ( 3.211 -1.476 6.471) 7.373 6.036 ( 7.108 -0.674 -1.482) 7.292 6.132 ( -0.161 0.613 1.872) 1.977 6.315 ( -6.950 0.705 -4.148) 8.124 6.605 ( -1.208 3.958 -5.188) 6.637 6.835 ( -1.267 1.388 -4.999) 5.340 7.368 ( 2.642 4.870 6.060) 8.211 7.523 ( -3.189 1.039 -2.052) 3.932 8.220 ( 2.554 -1.373 5.569) 6.279 8.346 ( 0.663 -3.349 -0.315) 3.428 8.424 ( -1.458 0.401 0.068) 1.513 8.558 ( -3.559 1.209 -4.043) 5.520 9.092 ( -0.577 -5.685 1.730) 5.970 9.182 ( -1.154 -9.267 -0.560) 9.356 9.332 ( -1.139 -1.700 -0.864) 2.221 9.467 ( 0.209 0.023 5.600) 5.604 9.602 ( -2.750 -2.498 -6.772) 7.724 9.780 ( 1.536 4.160 2.340) 5.014 10.176 ( -5.195 1.730 -0.601) 5.508 10.313 ( 1.674 2.991 -1.658) 3.808 10.480 ( -1.528 3.099 3.163) 4.684 10.514 ( -1.069 0.623 1.261) 1.767 10.596 ( -3.403 -0.796 -1.288) 3.724 10.862 ( 3.468 -1.670 0.907) 3.955 10.895 ( 0.341 -2.600 -1.464) 3.003 11.211 ( 4.116 -2.468 -0.753) 4.858 11.603 ( 5.057 5.652 5.450) 9.339 11.772 ( -3.725 1.782 -6.379) 7.599 12.330 ( 2.726 -2.476 1.071) 3.835 12.478 ( -3.554 -1.762 -2.227) 4.549 13.039 ( 0.044 -0.718 0.384) 0.816 13.080 ( 1.098 0.441 -0.332) 1.229 13.582 ( -0.939 -0.488 0.445) 1.148 13.666 ( -0.708 -1.114 -0.259) 1.345 13.867 ( 3.356 -1.353 0.737) 3.693 13.962 ( 0.987 -3.388 -1.293) 3.758 14.331 ( 3.030 -3.887 2.780) 5.659 14.682 ( 8.090 -4.234 4.625) 10.236 14.874 ( -0.325 -6.592 6.076) 8.971 14.922 ( 2.963 -3.178 -3.809) 5.778 15.707 ( -3.318 13.976 -6.085) 15.600 15.881 ( -4.990 13.640 -0.408) 14.530 17.920 ( -0.265 -0.058 0.044) 0.275 17.933 ( -1.106 0.617 -0.336) 1.310 ======================= Grid point 5 (6/168) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.194 -1.221 0.453) 1.317 1.501 ( 2.000 -3.939 0.522) 4.448 1.572 ( 0.063 -0.521 -2.887) 2.935 1.860 ( 0.902 -7.455 -1.912) 7.749 2.018 ( -0.360 0.955 -4.296) 4.416 2.041 ( 1.027 2.356 3.494) 4.337 2.299 ( -0.295 -6.341 4.914) 8.027 2.397 ( -1.008 4.175 -0.104) 4.296 2.791 ( -1.442 -5.007 -1.886) 5.542 2.825 ( -0.402 -0.240 0.007) 0.468 3.003 ( 0.837 0.528 0.905) 1.341 3.121 ( 2.027 2.333 3.344) 4.553 3.285 ( 3.210 -4.307 -2.380) 5.875 3.346 ( -0.454 -0.706 2.861) 2.981 3.464 ( 2.330 2.712 1.803) 4.004 3.538 ( -2.576 0.620 -4.485) 5.209 4.079 ( 0.111 0.202 -2.276) 2.287 4.174 ( -1.577 2.472 -0.928) 3.076 4.379 ( 0.653 -2.577 3.763) 4.607 4.453 ( -0.772 2.517 0.761) 2.740 4.702 ( -0.833 1.606 -1.519) 2.362 4.764 ( 1.591 0.586 0.294) 1.721 4.957 ( -0.032 -0.392 1.705) 1.750 5.014 ( 1.498 -1.077 -0.860) 2.036 5.222 ( -0.813 0.849 -1.015) 1.553 5.363 ( -2.531 4.072 -0.918) 4.881 5.623 ( 0.087 0.411 0.267) 0.498 5.889 ( -0.508 -1.327 0.344) 1.462 5.980 ( 2.635 -1.703 5.966) 6.741 6.104 ( 9.196 -0.021 1.028) 9.253 6.143 ( -1.405 -0.925 -1.919) 2.552 6.229 ( -8.732 -0.146 -1.896) 8.937 6.499 ( -0.859 3.290 -3.442) 4.838 6.795 ( -0.319 0.670 -1.871) 2.012 7.332 ( 0.449 2.260 1.987) 3.042 7.496 ( -0.958 -0.058 -0.522) 1.093 8.271 ( 1.533 -0.225 2.538) 2.974 8.408 ( 0.952 -2.225 0.026) 2.420 8.410 ( -0.139 -0.398 1.619) 1.673 8.484 ( -3.006 2.117 -3.694) 5.211 9.185 ( 1.912 -3.304 2.020) 4.319 9.239 ( -2.625 -0.507 -1.407) 3.021 9.381 ( 0.021 -3.471 -0.343) 3.488 9.489 ( 0.866 0.966 4.674) 4.850 9.582 ( -2.224 -1.268 -5.232) 5.825 9.748 ( 1.069 1.805 1.180) 2.407 10.123 ( -2.076 0.621 -0.312) 2.189 10.281 ( 1.049 1.236 -0.743) 1.783 10.442 ( 1.044 1.914 0.756) 2.308 10.488 ( -3.274 0.184 1.006) 3.430 10.599 ( -0.104 -0.827 -0.596) 1.025 10.900 ( 0.030 -0.902 0.331) 0.961 10.927 ( 1.102 -0.774 -0.562) 1.459 11.259 ( 1.276 -0.952 -0.305) 1.621 11.589 ( 2.928 2.420 3.252) 5.000 11.705 ( -2.234 0.234 -3.474) 4.137 12.384 ( 1.842 -0.973 0.918) 2.276 12.463 ( -2.107 -0.456 -1.323) 2.530 13.049 ( -0.096 -0.246 0.286) 0.389 13.079 ( 0.450 0.172 -0.289) 0.562 13.581 ( -0.445 -0.088 0.082) 0.461 13.674 ( -0.218 -0.351 -0.056) 0.417 13.902 ( 1.283 -0.349 0.370) 1.380 14.007 ( 0.297 -1.569 -0.612) 1.711 14.412 ( 1.513 -1.790 1.677) 2.882 14.740 ( 3.606 1.836 0.144) 4.049 15.013 ( 1.052 -4.050 0.874) 4.274 15.057 ( -0.316 -10.254 3.623) 10.880 15.429 ( -1.555 11.890 -3.101) 12.385 15.673 ( -2.226 5.945 -2.027) 6.664 17.917 ( -0.220 0.185 -0.110) 0.308 17.921 ( -0.260 0.000 0.035) 0.262 ======================= Grid point 12 (7/168) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 18.357 0.000 9.895) 20.854 0.454 ( 20.200 0.000 12.029) 23.511 0.836 ( 37.471 0.000 22.258) 43.583 0.845 ( 18.549 0.000 10.068) 21.105 1.306 ( 0.740 0.000 -5.709) 5.757 1.401 ( 12.583 0.000 -15.866) 20.250 2.083 ( -2.541 -0.000 -11.488) 11.765 2.540 ( -2.632 -0.000 -4.619) 5.316 2.619 ( -5.534 -0.000 12.861) 14.001 2.872 ( 1.557 0.000 -3.007) 3.386 2.897 ( -0.359 -0.000 2.158) 2.188 3.012 ( -0.748 -0.000 1.668) 1.828 3.157 ( -2.344 -0.000 6.864) 7.254 3.350 ( -8.762 -0.000 3.675) 9.501 3.716 ( 0.058 0.000 -4.697) 4.698 3.828 ( -1.675 -0.000 -12.157) 12.271 4.125 ( 1.234 0.000 7.007) 7.115 4.345 ( -5.236 -0.000 3.665) 6.391 4.522 ( -2.240 -0.000 1.957) 2.974 4.532 ( 1.753 0.000 1.802) 2.514 4.665 ( -1.185 -0.000 -0.214) 1.204 4.888 ( 0.694 0.000 -0.047) 0.695 5.181 ( -4.428 -0.000 1.078) 4.557 5.370 ( 7.182 0.000 2.661) 7.659 5.415 ( -1.179 -0.000 -7.014) 7.112 5.550 ( 7.193 0.000 -14.268) 15.978 5.648 ( 1.175 0.000 0.516) 1.283 5.857 ( -0.031 -0.000 -5.080) 5.080 5.857 ( -0.643 -0.000 0.931) 1.132 5.919 ( -0.353 -0.000 0.909) 0.975 6.380 ( -2.096 -0.000 -0.109) 2.099 6.612 ( -1.871 -0.000 -3.309) 3.801 7.044 ( -7.445 -0.000 10.793) 13.112 7.051 ( -0.327 -0.000 1.299) 1.340 7.438 ( 1.878 0.000 13.478) 13.608 7.884 ( -2.966 -0.000 9.813) 10.251 7.951 ( -2.774 -0.000 -3.961) 4.836 8.138 ( -4.114 -0.000 -3.214) 5.220 8.303 ( 0.627 0.000 0.193) 0.656 8.342 ( 1.315 0.000 0.175) 1.326 8.518 ( 2.989 0.000 -4.816) 5.668 8.597 ( -2.398 -0.000 -1.225) 2.692 9.276 ( -1.427 -0.000 -0.651) 1.569 9.426 ( 3.045 0.000 -3.161) 4.389 9.682 ( -8.262 -0.000 12.467) 14.956 9.990 ( -2.923 -0.000 0.193) 2.929 10.269 ( -6.198 -0.000 4.838) 7.863 10.309 ( -2.328 -0.000 -0.046) 2.329 10.552 ( -2.323 -0.000 4.886) 5.410 10.608 ( -1.838 -0.000 0.249) 1.855 10.614 ( 1.079 0.000 1.273) 1.669 10.838 ( 9.561 0.000 0.393) 9.569 10.853 ( -4.556 -0.000 0.837) 4.632 11.217 ( 8.638 0.000 -20.318) 22.078 11.966 ( -4.661 -0.000 -0.838) 4.735 11.992 ( 2.513 0.000 -0.640) 2.593 12.218 ( -2.076 -0.000 0.145) 2.081 12.288 ( -1.237 -0.000 -0.929) 1.547 13.012 ( -0.183 -0.000 -0.144) 0.233 13.074 ( -0.272 -0.000 -1.268) 1.297 13.479 ( 6.669 0.000 -0.063) 6.670 13.492 ( 0.884 0.000 2.592) 2.739 13.688 ( -0.710 -0.000 -0.247) 0.752 13.822 ( 0.309 0.000 0.289) 0.423 13.887 ( 4.714 0.000 2.330) 5.258 14.071 ( 1.392 0.000 -1.321) 1.919 14.631 ( 11.446 0.000 -11.846) 16.472 14.964 ( 8.941 0.000 -3.166) 9.485 16.694 ( -11.372 -0.000 14.919) 18.759 16.798 ( -7.544 -0.000 1.807) 7.757 17.912 ( -0.047 -0.000 0.483) 0.485 17.931 ( -0.789 -0.000 -0.310) 0.848 ======================= Grid point 13 (8/168) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 14.038 -6.603 12.107) 19.678 0.715 ( 18.241 -7.473 8.058) 21.296 1.041 ( 14.524 -4.472 10.519) 18.483 1.309 ( 7.037 -3.748 -2.053) 8.233 1.353 ( 17.267 -8.731 0.883) 19.369 1.602 ( 19.803 -17.592 2.874) 26.643 1.982 ( -1.009 1.996 -11.446) 11.663 2.436 ( -2.027 4.356 -1.162) 4.943 2.599 ( -3.736 1.668 -0.018) 4.092 2.888 ( -1.653 0.751 4.188) 4.565 2.915 ( 1.924 -3.650 -2.010) 4.589 3.038 ( 0.182 -1.989 4.665) 5.075 3.182 ( -5.198 -0.794 6.139) 8.083 3.280 ( -4.845 1.795 0.142) 5.168 3.604 ( -0.526 6.448 -8.109) 10.374 3.774 ( -1.372 1.382 -6.981) 7.248 4.100 ( 0.604 4.344 1.522) 4.642 4.350 ( -1.771 -0.805 5.609) 5.937 4.500 ( -1.130 0.687 -1.141) 1.747 4.566 ( 1.190 -1.367 1.031) 2.085 4.670 ( -1.237 -1.937 0.759) 2.421 4.869 ( 1.019 2.473 0.106) 2.677 5.143 ( -4.176 2.114 0.265) 4.688 5.298 ( 2.344 7.289 -4.311) 8.786 5.376 ( -0.173 5.019 0.738) 5.076 5.536 ( 4.973 -2.157 1.249) 5.563 5.727 ( 0.393 -2.220 -6.054) 6.460 5.830 ( -1.856 -1.663 0.037) 2.492 5.871 ( 0.569 -0.632 -1.114) 1.401 5.907 ( -2.274 1.293 4.454) 5.165 6.348 ( -4.695 1.264 -0.016) 4.862 6.560 ( -0.794 2.888 -3.870) 4.894 6.846 ( 1.905 14.338 8.295) 16.673 7.020 ( -2.361 3.370 -1.185) 4.282 7.494 ( 7.620 2.669 10.536) 13.274 7.778 ( -1.634 6.338 -0.043) 6.546 8.001 ( -1.244 -4.082 0.162) 4.270 8.159 ( -2.880 -3.938 -3.422) 5.959 8.385 ( -4.186 -6.331 0.589) 7.612 8.468 ( 0.487 -9.600 1.127) 9.678 8.567 ( -4.010 -2.871 -2.614) 5.582 8.666 ( -3.794 -13.639 -4.731) 14.926 9.270 ( -1.684 -1.194 -0.947) 2.271 9.434 ( 2.658 0.161 -1.922) 3.284 9.639 ( -5.255 3.055 6.331) 8.777 9.965 ( -4.015 0.928 1.825) 4.507 10.246 ( -4.591 -1.270 -0.685) 4.812 10.334 ( -3.821 -3.540 2.492) 5.774 10.544 ( -2.343 0.987 2.641) 3.666 10.579 ( -3.233 0.981 1.609) 3.743 10.614 ( 0.528 1.527 0.905) 1.852 10.801 ( -0.111 1.031 0.105) 1.042 10.903 ( 6.651 2.268 0.466) 7.042 11.126 ( 8.363 3.972 -10.065) 13.676 11.886 ( -2.110 4.150 -0.396) 4.672 12.001 ( 0.818 2.667 -1.295) 3.076 12.173 ( 2.544 1.066 0.479) 2.799 12.336 ( -1.990 -4.821 -1.749) 5.501 12.993 ( -0.357 0.312 0.391) 0.614 13.087 ( -0.342 -0.934 -0.043) 0.996 13.514 ( 1.721 -1.058 1.996) 2.840 13.571 ( 1.415 -2.858 -0.245) 3.198 13.709 ( 0.748 -2.535 0.275) 2.658 13.836 ( 1.379 -1.017 -0.805) 1.893 13.987 ( 6.785 -4.881 2.479) 8.718 14.178 ( -2.126 -9.690 -0.257) 9.924 14.687 ( 8.474 -1.673 -5.570) 10.277 15.006 ( 11.063 2.229 -5.418) 12.518 16.471 ( -1.850 18.120 9.057) 20.342 16.670 ( -9.806 8.171 2.773) 13.062 17.915 ( -0.170 -0.136 0.485) 0.532 17.952 ( -2.746 -2.059 -1.246) 3.652 ======================= Grid point 14 (9/168) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 10.202 -9.462 9.261) 16.715 1.010 ( 12.866 -7.656 7.083) 16.562 1.250 ( 5.061 -8.259 0.349) 9.693 1.435 ( 10.639 -5.158 -2.027) 11.996 1.634 ( 10.756 -11.998 4.149) 16.639 1.919 ( 1.197 -0.862 -10.185) 10.291 2.096 ( 13.727 -14.925 6.494) 21.293 2.346 ( -3.379 2.039 -3.300) 5.145 2.543 ( -1.264 0.619 -4.401) 4.621 2.910 ( -2.453 -3.033 6.306) 7.415 2.970 ( 0.683 -0.162 0.351) 0.785 3.102 ( 0.653 -0.319 4.231) 4.293 3.150 ( -0.350 0.198 -1.122) 1.192 3.257 ( -2.362 -1.836 2.962) 4.210 3.498 ( 0.859 1.642 -4.132) 4.529 3.678 ( -2.593 4.438 -3.741) 6.357 4.051 ( 0.488 1.260 -3.789) 4.022 4.358 ( 1.249 2.549 5.464) 6.157 4.444 ( -4.030 2.847 -2.387) 5.481 4.588 ( -1.427 -0.462 0.424) 1.558 4.705 ( -1.012 -1.758 0.330) 2.055 4.838 ( 2.109 2.184 -0.232) 3.045 5.059 ( -2.345 3.706 0.284) 4.395 5.190 ( 0.277 5.972 2.114) 6.341 5.298 ( 0.456 3.654 -1.242) 3.886 5.639 ( 3.354 -3.021 4.378) 6.288 5.657 ( -1.838 4.855 -3.890) 6.487 5.845 ( -0.719 -0.471 -1.417) 1.658 5.872 ( -3.990 -0.015 2.490) 4.703 5.931 ( 2.602 -3.024 2.074) 4.496 6.264 ( -7.200 3.129 1.465) 7.987 6.449 ( 1.017 7.344 -5.565) 9.271 6.718 ( 1.572 5.231 -0.220) 5.467 6.933 ( -1.332 4.197 -0.854) 4.485 7.535 ( 6.230 4.610 8.773) 11.706 7.638 ( -4.452 5.826 -3.961) 8.333 8.096 ( 0.601 -5.754 3.007) 6.520 8.207 ( -0.451 -4.732 -1.568) 5.005 8.415 ( -3.044 -1.650 0.612) 3.516 8.551 ( -3.703 -1.791 -3.294) 5.270 8.707 ( -0.346 -14.692 1.662) 14.789 8.833 ( -3.671 -11.622 -2.566) 12.455 9.278 ( -1.640 -1.748 -1.000) 2.597 9.447 ( 2.198 -0.365 -1.143) 2.505 9.580 ( -3.981 1.910 2.764) 5.209 9.911 ( -3.747 2.918 3.485) 5.890 10.214 ( -6.019 0.071 -1.053) 6.111 10.366 ( -3.706 -1.944 1.994) 4.636 10.509 ( 0.072 1.408 -1.878) 2.348 10.555 ( -1.382 1.173 2.916) 3.434 10.595 ( -3.696 -0.944 -0.603) 3.862 10.814 ( 0.592 -1.073 1.157) 1.685 10.878 ( 4.671 4.015 -2.604) 6.687 11.138 ( 6.209 -1.385 -3.354) 7.192 11.806 ( 1.463 5.219 1.091) 5.529 11.913 ( 0.164 6.045 -1.436) 6.216 12.233 ( 5.292 -2.678 0.449) 5.947 12.383 ( -1.992 -3.628 -1.661) 4.459 12.998 ( -1.023 -1.123 0.151) 1.527 13.091 ( -0.686 -0.142 0.060) 0.704 13.551 ( -0.348 -1.144 2.181) 2.487 13.610 ( 0.434 -1.973 -1.326) 2.416 13.781 ( 2.947 -3.438 1.140) 4.670 13.868 ( 1.707 -1.809 -1.538) 2.925 14.153 ( 5.730 -6.419 2.303) 8.907 14.351 ( 0.923 -11.144 3.780) 11.804 14.763 ( 6.508 -2.315 -1.390) 7.046 15.002 ( 9.681 4.337 -8.107) 13.351 16.193 ( -1.090 16.905 2.937) 17.192 16.413 ( -9.694 14.100 3.297) 17.425 17.917 ( -0.455 -0.111 0.284) 0.547 17.944 ( -2.239 -0.298 -0.864) 2.419 ======================= Grid point 15 (10/168) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.580 -4.217 3.806) 7.297 1.268 ( 10.792 -8.402 7.450) 15.575 1.437 ( 6.711 -8.365 -2.111) 10.930 1.587 ( 7.085 -5.308 -1.945) 9.064 1.922 ( 3.267 -5.368 -5.919) 8.633 1.959 ( 6.681 -10.037 6.045) 13.488 2.198 ( -3.587 3.212 1.651) 5.090 2.427 ( 1.404 -7.080 -0.736) 7.255 2.520 ( -2.628 -3.082 -1.609) 4.358 2.877 ( -3.052 5.122 -3.425) 6.876 3.034 ( 1.687 -7.083 2.681) 7.759 3.111 ( 1.900 2.588 5.068) 6.000 3.187 ( 0.134 -2.349 1.211) 2.646 3.315 ( 4.025 -1.706 0.694) 4.426 3.509 ( 2.796 -1.174 -1.010) 3.196 3.571 ( -3.520 2.626 -3.639) 5.704 4.029 ( -0.186 -1.110 -5.510) 5.624 4.328 ( -5.537 4.821 -0.661) 7.371 4.355 ( 1.786 1.538 3.463) 4.189 4.555 ( -2.684 2.453 1.154) 3.815 4.709 ( -0.582 -0.086 -0.518) 0.784 4.828 ( 2.669 1.211 -0.849) 3.051 5.004 ( -0.718 1.635 -0.297) 1.810 5.092 ( 0.159 7.879 5.588) 9.660 5.263 ( 0.410 0.271 -3.116) 3.154 5.533 ( -2.309 5.596 -1.769) 6.307 5.685 ( 0.817 1.357 0.777) 1.764 5.843 ( -4.089 0.578 3.788) 5.603 5.883 ( 0.570 -3.684 2.334) 4.398 6.020 ( 2.385 -3.875 0.834) 4.626 6.174 ( -3.623 1.927 2.055) 4.589 6.314 ( 1.389 6.049 -6.491) 8.980 6.643 ( -0.829 3.941 -3.821) 5.551 6.862 ( 0.660 3.410 0.196) 3.479 7.482 ( -4.573 5.311 -3.863) 8.003 7.535 ( 2.447 3.525 5.442) 6.930 8.201 ( -0.175 -4.412 0.736) 4.477 8.289 ( 1.443 -4.312 2.099) 5.008 8.414 ( -1.770 -0.333 0.528) 1.877 8.524 ( -3.345 -0.110 -2.859) 4.402 8.951 ( -0.228 -12.465 1.614) 12.571 8.992 ( -1.238 -10.838 -0.674) 10.929 9.291 ( -1.153 -1.539 -0.678) 2.039 9.474 ( 1.467 -1.826 -1.412) 2.735 9.539 ( -3.212 0.816 1.458) 3.620 9.851 ( -3.378 3.023 4.360) 6.290 10.146 ( -6.894 1.101 0.109) 6.982 10.348 ( -2.479 1.242 -0.949) 2.931 10.502 ( -1.452 -0.882 1.705) 2.407 10.540 ( 2.753 2.038 -0.823) 3.522 10.574 ( -2.344 0.131 -1.530) 2.802 10.823 ( -1.845 -0.597 0.823) 2.106 10.871 ( 1.934 -1.660 -3.625) 4.431 11.208 ( 4.914 -2.121 -0.390) 5.366 11.722 ( -0.308 5.175 -3.695) 6.366 11.825 ( 3.519 6.048 4.452) 8.294 12.323 ( 5.260 -2.415 0.466) 5.806 12.413 ( -1.361 -2.403 -1.205) 3.013 13.011 ( -1.712 -1.615 0.111) 2.356 13.084 ( -1.085 0.044 -0.060) 1.088 13.567 ( -1.259 -0.704 1.117) 1.824 13.640 ( 0.454 -1.750 -0.824) 1.987 13.868 ( 3.719 -2.321 0.731) 4.444 13.908 ( 1.144 -2.892 -1.434) 3.425 14.295 ( 2.715 -4.974 3.098) 6.458 14.607 ( 6.024 -12.557 5.593) 15.009 14.856 ( 4.976 -3.140 1.795) 6.152 14.934 ( 5.232 4.895 -10.738) 12.909 15.909 ( -1.336 15.858 -1.998) 16.039 16.100 ( -7.722 16.152 4.126) 18.372 17.915 ( -0.735 -0.189 0.036) 0.760 17.928 ( -1.302 0.190 -0.255) 1.340 ======================= Grid point 16 (11/168) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 1.958 -1.407 1.173) 2.681 1.499 ( 9.880 -4.483 6.945) 12.882 1.568 ( 5.686 -1.642 -1.779) 6.180 1.731 ( 3.582 -7.916 0.324) 8.695 1.977 ( 3.444 -2.777 -6.409) 7.788 2.129 ( -0.834 3.629 3.712) 5.258 2.189 ( -0.023 -7.910 5.941) 9.893 2.428 ( -4.059 1.710 -0.072) 4.405 2.645 ( -1.648 -10.014 1.005) 10.198 2.792 ( -0.880 -0.268 -3.880) 3.988 3.071 ( 0.990 4.631 2.412) 5.315 3.172 ( 2.732 -3.102 -0.195) 4.138 3.214 ( -1.790 -2.179 0.135) 2.824 3.358 ( 3.630 -0.233 0.937) 3.756 3.494 ( -4.259 1.813 -4.112) 6.192 3.540 ( 4.212 0.420 -0.065) 4.234 4.024 ( -1.701 -1.893 -5.890) 6.416 4.208 ( -3.318 3.601 -0.825) 4.966 4.371 ( -0.608 -0.556 3.805) 3.893 4.506 ( 0.191 2.777 2.061) 3.464 4.689 ( -3.272 0.648 -1.369) 3.606 4.817 ( 3.179 2.332 -2.146) 4.489 4.976 ( -0.957 0.736 2.649) 2.911 5.024 ( 1.847 2.762 1.147) 3.515 5.243 ( 1.589 1.145 -1.986) 2.789 5.414 ( -2.733 5.447 -1.124) 6.197 5.647 ( -0.237 2.391 0.185) 2.409 5.847 ( -1.087 -2.422 0.015) 2.654 5.958 ( -3.160 -3.152 3.789) 5.855 6.098 ( -2.717 -3.352 1.329) 4.515 6.180 ( 0.717 -0.646 2.723) 2.889 6.217 ( 7.733 4.063 -2.546) 9.098 6.538 ( -1.347 4.401 -4.262) 6.273 6.827 ( 1.449 2.426 1.772) 3.335 7.351 ( -5.002 2.743 -4.929) 7.539 7.525 ( 1.539 2.286 4.231) 5.049 8.236 ( -2.754 -2.310 -3.972) 5.357 8.392 ( 3.256 -3.388 5.117) 6.947 8.408 ( -0.871 0.030 0.559) 1.036 8.481 ( -2.092 1.202 -1.771) 2.993 9.125 ( 2.086 -7.126 1.582) 7.592 9.154 ( -1.084 -7.709 -0.791) 7.825 9.315 ( -0.393 -2.823 0.023) 2.851 9.493 ( -3.141 -1.652 -5.354) 6.424 9.534 ( 1.522 -0.652 4.622) 4.910 9.796 ( -3.632 2.796 4.433) 6.377 10.091 ( -5.803 -0.512 1.579) 6.036 10.295 ( -2.374 1.581 -1.368) 3.163 10.485 ( -1.480 2.328 -1.046) 2.950 10.523 ( 4.764 2.246 -0.119) 5.268 10.574 ( 1.043 -1.524 -1.147) 2.174 10.842 ( -2.898 -3.360 -0.450) 4.460 10.894 ( -1.137 -2.170 -2.484) 3.489 11.268 ( 3.287 -0.743 0.749) 3.452 11.604 ( -3.228 3.625 -6.509) 8.119 11.799 ( 5.472 5.165 7.516) 10.635 12.383 ( 1.856 -0.963 -1.021) 2.327 12.444 ( 2.174 -1.503 0.910) 2.795 13.025 ( -2.159 -1.630 0.347) 2.728 13.073 ( -1.556 -0.042 -0.393) 1.606 13.572 ( -0.771 -0.575 0.534) 1.100 13.666 ( 0.715 -1.081 -0.447) 1.371 13.900 ( 1.287 -0.359 -2.520) 2.852 13.980 ( 1.955 -2.990 1.739) 3.973 14.391 ( 0.047 -2.889 3.692) 4.689 14.806 ( -0.103 4.740 -10.301) 11.340 14.894 ( 9.116 -10.981 3.298) 14.649 14.993 ( 4.770 -5.636 3.516) 8.178 15.619 ( -1.087 15.050 -5.750) 16.148 15.812 ( -6.308 13.378 5.844) 15.903 17.914 ( -0.725 -0.365 0.027) 0.812 17.917 ( -0.467 0.135 0.016) 0.486 ======================= Grid point 17 (12/168) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.798 -0.025 0.009) 0.799 1.583 ( 3.640 3.260 2.229) 5.371 1.631 ( 7.341 0.992 6.476) 9.839 1.895 ( 3.043 -6.919 2.141) 7.856 1.987 ( 0.501 1.782 -1.945) 2.685 2.082 ( -0.156 3.500 3.696) 5.093 2.306 ( -1.607 -5.848 0.009) 6.065 2.347 ( -2.714 3.272 -3.719) 5.648 2.768 ( -0.194 -5.213 -1.288) 5.373 2.834 ( 0.284 -3.235 1.675) 3.654 3.014 ( 0.126 2.041 -0.203) 2.055 3.109 ( -3.657 5.199 -2.440) 6.808 3.295 ( 1.215 -3.549 -2.524) 4.521 3.379 ( 0.191 4.569 -0.659) 4.620 3.394 ( -4.506 -1.091 -0.789) 4.703 3.576 ( 4.398 -0.164 2.286) 4.959 4.017 ( -2.906 -3.285 -3.667) 5.717 4.171 ( 0.806 -0.355 0.075) 0.884 4.390 ( -1.661 0.044 0.844) 1.864 4.461 ( 1.370 3.177 -0.769) 3.544 4.654 ( -4.540 -1.915 0.923) 5.013 4.787 ( 2.514 2.431 -2.320) 4.197 4.974 ( -0.048 1.752 2.097) 2.732 5.018 ( -0.356 -0.131 -0.206) 0.431 5.243 ( 2.309 0.316 0.467) 2.377 5.336 ( 1.250 0.394 -0.432) 1.380 5.622 ( -0.332 0.530 -0.043) 0.627 5.881 ( 0.123 -2.013 -2.114) 2.921 5.945 ( -5.933 0.872 -1.286) 6.133 6.038 ( -8.505 1.697 -2.005) 8.901 6.219 ( 5.608 1.767 3.691) 6.942 6.304 ( 9.112 -1.080 2.484) 9.506 6.478 ( 0.495 -0.824 0.999) 1.386 6.826 ( 2.287 0.990 4.892) 5.490 7.271 ( -3.958 -0.447 -5.795) 7.032 7.523 ( 0.902 0.924 2.381) 2.709 8.213 ( -3.743 -1.273 -6.023) 7.205 8.405 ( -0.644 -0.063 -0.147) 0.663 8.438 ( -0.691 1.574 -0.305) 1.746 8.495 ( 3.703 -2.340 5.359) 6.921 9.195 ( -0.601 -0.041 -1.924) 2.016 9.245 ( 3.512 -3.110 1.150) 4.830 9.380 ( 0.151 -3.677 -0.268) 3.690 9.456 ( -2.647 0.511 -3.331) 4.285 9.599 ( 1.739 -2.940 2.548) 4.261 9.740 ( -4.225 2.472 4.446) 6.613 10.092 ( -3.861 -2.779 2.916) 5.580 10.257 ( -2.499 0.028 0.257) 2.512 10.436 ( 1.926 1.742 -3.104) 4.047 10.529 ( 5.118 1.139 -2.673) 5.885 10.606 ( 1.763 -0.888 0.878) 2.160 10.860 ( -4.566 -1.995 -1.905) 5.334 10.909 ( -1.395 -1.988 -0.496) 2.479 11.285 ( 0.978 1.402 1.284) 2.138 11.503 ( -4.821 0.620 -6.519) 8.131 11.802 ( 5.040 3.497 7.513) 9.699 12.382 ( -0.412 0.560 -1.561) 1.709 12.499 ( 4.572 -0.452 2.149) 5.072 13.035 ( -2.033 -1.173 0.501) 2.400 13.059 ( -2.242 -0.494 -0.613) 2.376 13.581 ( 0.147 -0.491 0.411) 0.657 13.683 ( 1.250 -0.275 -0.257) 1.306 13.889 ( -0.623 0.252 -2.836) 2.914 14.030 ( 0.788 -0.093 2.025) 2.175 14.415 ( -2.531 0.651 1.782) 3.163 14.693 ( -3.216 1.232 -7.899) 8.617 15.087 ( 10.477 1.282 -2.294) 10.802 15.175 ( 5.321 -7.879 7.987) 12.417 15.338 ( -1.788 10.539 -10.038) 14.664 15.652 ( -5.564 2.187 9.219) 10.988 17.915 ( -0.139 -0.262 0.167) 0.340 17.918 ( -0.137 -0.342 0.005) 0.368 ======================= Grid point 18 (13/168) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.432 2.237 -0.608) 2.358 1.532 ( 2.549 7.828 4.256) 9.268 1.652 ( 3.759 5.382 7.226) 9.763 1.885 ( -0.997 9.729 4.141) 10.621 1.996 ( 0.010 -0.064 -2.968) 2.968 2.086 ( 2.085 -3.159 6.355) 7.396 2.234 ( 0.313 6.050 -8.272) 10.253 2.386 ( -1.695 -5.752 -0.217) 6.001 2.824 ( 0.030 0.851 -1.998) 2.172 2.846 ( 1.649 1.528 2.966) 3.721 2.941 ( -6.874 3.465 -6.854) 10.307 3.033 ( -0.228 -2.143 -2.099) 3.009 3.239 ( -3.474 4.350 0.505) 5.590 3.341 ( 2.284 2.179 -3.285) 4.556 3.395 ( -4.238 -2.191 -0.033) 4.771 3.638 ( 3.208 -1.336 5.055) 6.134 4.064 ( -1.781 -4.406 -0.124) 4.754 4.221 ( 2.123 -3.744 0.827) 4.383 4.304 ( -3.421 4.324 -3.775) 6.682 4.473 ( 2.477 -2.316 -1.483) 3.701 4.693 ( -3.506 -4.723 1.725) 6.130 4.748 ( 0.846 2.758 -1.680) 3.339 4.943 ( -0.054 1.597 -1.125) 1.954 4.999 ( -1.386 0.847 1.054) 1.936 5.276 ( 2.584 -1.035 2.794) 3.944 5.427 ( 5.205 -6.363 0.122) 8.222 5.614 ( -0.595 -0.034 -0.369) 0.701 5.850 ( -3.761 1.320 -5.565) 6.845 5.898 ( 0.814 1.704 -1.828) 2.628 5.953 ( -8.700 -1.440 1.775) 8.995 6.182 ( 1.100 5.144 -2.386) 5.776 6.378 ( 6.000 -0.308 2.266) 6.421 6.582 ( 3.344 -4.108 6.758) 8.586 6.877 ( 3.852 -0.209 8.361) 9.208 7.246 ( -3.160 -3.253 -6.775) 8.153 7.532 ( 0.570 -0.629 0.421) 0.948 8.174 ( -2.831 -0.642 -5.947) 6.618 8.382 ( -1.047 1.715 -0.725) 2.136 8.428 ( 0.551 -0.098 0.704) 0.899 8.578 ( 2.909 -1.688 4.051) 5.265 9.160 ( 1.235 2.800 -1.580) 3.444 9.293 ( 2.958 1.348 0.231) 3.259 9.382 ( -1.224 3.619 1.108) 3.978 9.434 ( 1.341 -1.552 -4.587) 5.025 9.673 ( -2.676 -4.520 -0.606) 5.288 9.695 ( -0.847 2.652 6.607) 7.169 10.143 ( -2.384 -4.405 2.661) 5.672 10.270 ( -0.496 -2.331 2.841) 3.708 10.437 ( 4.330 -1.043 -4.696) 6.472 10.525 ( 1.175 1.081 -2.364) 2.853 10.644 ( 5.810 -0.054 -0.456) 5.828 10.818 ( -7.606 0.043 -1.557) 7.764 10.928 ( 0.406 -0.442 0.280) 0.663 11.244 ( -2.214 3.772 1.410) 4.595 11.454 ( -5.316 -3.171 -5.396) 8.211 11.832 ( 4.117 1.132 6.674) 7.923 12.350 ( -0.557 1.955 -1.166) 2.344 12.544 ( 4.774 0.805 2.364) 5.388 13.032 ( -1.751 -0.199 -0.229) 1.777 13.053 ( -2.591 -1.236 0.002) 2.871 13.593 ( 0.843 -0.065 0.267) 0.886 13.693 ( 1.921 0.489 -0.014) 1.982 13.856 ( -2.169 0.975 -2.064) 3.149 14.009 ( -1.691 2.662 0.851) 3.267 14.363 ( -1.828 3.215 0.122) 3.700 14.627 ( -5.303 0.044 -5.371) 7.548 15.020 ( 3.081 9.028 -1.656) 9.682 15.042 ( 0.401 13.497 -5.110) 14.438 15.497 ( 4.814 -16.562 2.233) 17.391 15.739 ( -0.963 -8.329 7.841) 11.480 17.921 ( 0.036 -0.197 0.097) 0.222 17.928 ( 0.488 -0.781 0.171) 0.937 ======================= Grid point 19 (14/168) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.114 6.471 -1.190) 6.581 1.389 ( 2.514 14.026 4.471) 14.935 1.586 ( 1.289 7.969 5.726) 9.897 1.687 ( -3.161 13.854 3.672) 14.677 1.942 ( -2.278 2.708 -1.463) 3.830 2.052 ( 3.718 11.556 -8.319) 14.716 2.178 ( -1.378 0.068 0.849) 1.620 2.482 ( -1.518 -3.673 10.495) 11.222 2.680 ( -0.178 8.851 -0.381) 8.861 2.841 ( -0.289 -0.971 -3.765) 3.899 2.892 ( -3.400 -1.882 -8.106) 8.990 3.070 ( 1.216 -2.287 0.750) 2.697 3.147 ( -3.784 2.050 -2.581) 5.018 3.277 ( 0.989 5.138 -0.628) 5.270 3.406 ( -3.051 -3.104 -1.439) 4.584 3.705 ( 2.170 -1.161 4.958) 5.535 4.093 ( -1.186 0.428 1.490) 1.952 4.210 ( -2.673 0.071 -4.422) 5.168 4.334 ( 1.821 -6.142 1.239) 6.525 4.569 ( 2.702 -7.505 -1.203) 8.067 4.690 ( -0.677 2.965 -1.262) 3.293 4.751 ( -2.506 -3.486 1.645) 4.598 4.940 ( 0.484 -2.396 -2.404) 3.428 4.983 ( -0.896 0.510 0.756) 1.278 5.330 ( 2.434 -0.498 2.518) 3.537 5.569 ( 3.920 -3.987 -0.887) 5.661 5.610 ( 0.046 -0.501 0.432) 0.663 5.788 ( -2.985 -0.229 -3.001) 4.239 5.872 ( 1.583 -0.394 -3.634) 3.983 5.950 ( -5.944 -0.928 3.744) 7.086 6.110 ( -0.081 -0.751 -3.535) 3.614 6.432 ( 3.703 -0.224 2.002) 4.215 6.665 ( 0.661 -0.509 4.329) 4.408 6.964 ( 5.024 -0.532 9.289) 10.574 7.255 ( -2.870 -3.774 -6.133) 7.752 7.560 ( -0.039 -2.832 -1.292) 3.113 8.135 ( -1.229 0.516 -4.200) 4.407 8.334 ( -0.840 2.686 -0.059) 2.815 8.444 ( 0.854 -0.714 0.099) 1.117 8.634 ( 1.624 -1.038 2.338) 3.030 9.119 ( 3.487 3.761 -0.042) 5.129 9.197 ( 0.330 10.619 0.162) 10.625 9.352 ( 0.079 -0.034 0.566) 0.572 9.447 ( 3.888 0.362 -3.580) 5.298 9.651 ( -5.592 0.098 3.186) 6.436 9.748 ( 1.199 -2.887 0.976) 3.275 10.229 ( 0.151 -5.587 1.937) 5.915 10.346 ( 2.732 -3.114 4.355) 6.011 10.483 ( 1.086 -1.546 -4.236) 4.638 10.494 ( 2.257 -0.103 -3.637) 4.281 10.682 ( 3.564 0.679 -1.828) 4.062 10.740 ( -6.060 0.764 -0.593) 6.137 10.924 ( 1.237 2.394 0.909) 2.844 11.140 ( -5.609 5.196 1.125) 7.728 11.481 ( -4.073 -7.058 -3.364) 8.816 11.888 ( 2.878 -0.989 5.061) 5.905 12.298 ( -0.435 3.238 -0.678) 3.337 12.567 ( 4.370 2.000 2.227) 5.297 13.017 ( -1.952 0.008 -0.468) 2.007 13.053 ( -2.004 -0.707 0.041) 2.126 13.593 ( 0.779 1.019 -0.053) 1.283 13.696 ( 2.707 1.354 0.170) 3.032 13.804 ( -3.428 1.710 -0.628) 3.882 13.940 ( -2.528 3.080 -0.367) 4.001 14.285 ( -0.450 5.525 0.567) 5.572 14.526 ( -5.135 3.865 -5.973) 8.774 14.831 ( 0.523 8.865 -4.238) 9.840 14.895 ( -2.604 4.409 0.897) 5.199 15.831 ( 4.908 -14.098 5.067) 15.765 15.944 ( 1.162 -14.026 1.406) 14.144 17.923 ( 0.121 0.001 -0.021) 0.123 17.953 ( 0.905 -1.387 0.413) 1.707 ======================= Grid point 20 (15/168) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.708 12.494 -1.620) 12.619 1.144 ( 2.165 19.131 3.627) 19.592 1.385 ( -2.052 18.409 -0.382) 18.527 1.496 ( -0.596 6.808 3.619) 7.733 1.742 ( 1.219 19.800 -3.750) 20.188 1.920 ( -5.271 10.499 0.063) 11.748 2.012 ( -5.070 3.830 -2.488) 6.823 2.493 ( 2.527 7.364 4.748) 9.119 2.696 ( 3.343 -2.885 10.503) 11.394 2.794 ( -3.182 2.674 -6.391) 7.624 2.863 ( -1.257 -4.151 -7.257) 8.455 3.073 ( -3.371 1.751 -1.563) 4.108 3.160 ( 1.679 -4.422 -1.019) 4.838 3.220 ( 0.890 0.568 0.087) 1.059 3.448 ( -0.536 -4.448 -0.469) 4.505 3.762 ( 1.446 -1.816 2.600) 3.486 4.070 ( -0.647 1.104 0.733) 1.475 4.222 ( -0.908 -4.093 -1.709) 4.527 4.444 ( 0.804 -4.270 0.345) 4.359 4.627 ( -0.794 3.223 -0.440) 3.348 4.721 ( 2.719 -6.997 -1.436) 7.643 4.775 ( -2.370 0.108 2.539) 3.475 4.994 ( -0.448 -3.265 0.297) 3.309 5.016 ( 0.319 -7.638 -2.414) 8.017 5.332 ( 1.076 2.635 1.268) 3.116 5.547 ( -2.120 2.098 -2.453) 3.862 5.693 ( 4.330 -2.915 3.257) 6.152 5.783 ( -2.663 -2.028 -2.468) 4.159 5.877 ( 0.035 -0.833 -3.272) 3.376 5.922 ( -1.343 0.593 1.987) 2.470 6.208 ( 0.420 -9.813 -0.985) 9.871 6.461 ( 1.494 0.198 0.919) 1.765 6.669 ( -0.422 1.001 1.589) 1.924 7.037 ( 2.902 0.053 5.171) 5.930 7.261 ( -2.339 -2.029 -3.788) 4.893 7.616 ( -0.304 -4.623 -1.294) 4.810 8.097 ( -0.128 1.714 -1.550) 2.315 8.280 ( -0.411 3.014 0.249) 3.052 8.462 ( 0.775 -0.573 -0.136) 0.973 8.662 ( 0.750 -0.197 1.014) 1.277 8.960 ( 0.303 15.444 -0.269) 15.450 9.114 ( 3.284 2.216 1.544) 4.252 9.360 ( 0.131 0.010 1.081) 1.089 9.441 ( 3.131 2.258 -2.222) 4.454 9.642 ( -1.675 -1.446 1.902) 2.918 9.807 ( -0.830 -3.881 -0.349) 3.984 10.341 ( 3.779 -3.465 1.752) 5.418 10.437 ( -3.464 -0.378 -3.103) 4.666 10.442 ( 5.546 -1.029 4.689) 7.335 10.554 ( 4.047 -3.493 -7.836) 9.486 10.613 ( -9.690 1.037 1.402) 9.846 10.754 ( 5.135 -0.940 -1.022) 5.319 10.864 ( 0.410 6.023 0.679) 6.075 11.007 ( -7.609 4.737 1.239) 9.048 11.600 ( -1.366 -10.623 -1.215) 10.779 11.950 ( 1.316 -1.891 2.607) 3.479 12.230 ( -0.246 4.006 -0.254) 4.021 12.564 ( 3.071 3.019 1.634) 4.606 12.999 ( -1.421 0.260 -0.318) 1.480 13.043 ( -1.548 0.167 -0.196) 1.569 13.568 ( 0.198 2.304 -0.111) 2.316 13.683 ( 2.245 2.900 -0.005) 3.668 13.749 ( -2.837 1.319 0.331) 3.146 13.877 ( -1.233 2.181 -0.437) 2.544 14.156 ( -1.262 8.951 -0.240) 9.043 14.405 ( -1.098 3.861 -3.065) 5.050 14.707 ( -0.750 4.092 -1.735) 4.508 14.848 ( -2.970 -0.473 1.051) 3.186 16.040 ( 1.576 -7.140 2.257) 7.652 16.263 ( 2.350 -19.212 -0.309) 19.358 17.922 ( 0.081 0.177 -0.065) 0.205 17.991 ( 0.958 -1.893 0.501) 2.179 ======================= Grid point 21 (16/168) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.000 18.161 -0.000) 18.161 0.818 ( -0.000 21.881 -0.000) 21.881 1.040 ( -0.000 20.204 -0.000) 20.204 1.271 ( -0.000 32.198 -0.000) 32.198 1.408 ( -0.000 4.441 -0.000) 4.441 1.615 ( -0.000 15.459 -0.000) 15.459 2.056 ( 0.000 -5.039 0.000) 5.039 2.344 ( -0.000 10.528 -0.000) 10.528 2.696 ( -0.000 3.096 -0.000) 3.096 2.855 ( 0.000 -6.297 0.000) 6.297 2.884 ( 0.000 -1.080 0.000) 1.080 2.992 ( -0.000 3.872 -0.000) 3.872 3.229 ( 0.000 -2.482 0.000) 2.482 3.270 ( 0.000 -4.666 0.000) 4.666 3.551 ( 0.000 -7.563 0.000) 7.563 3.815 ( 0.000 -3.000 0.000) 3.000 4.061 ( -0.000 0.008 -0.000) 0.008 4.292 ( 0.000 -4.484 0.000) 4.484 4.467 ( -0.000 2.296 -0.000) 2.296 4.567 ( -0.000 3.180 -0.000) 3.180 4.727 ( -0.000 3.537 -0.000) 3.537 4.820 ( 0.000 -3.738 0.000) 3.738 5.090 ( 0.000 -7.275 0.000) 7.275 5.176 ( 0.000 -10.787 0.000) 10.787 5.300 ( -0.000 1.164 -0.000) 1.164 5.489 ( -0.000 2.690 -0.000) 2.690 5.770 ( 0.000 -1.404 0.000) 1.404 5.791 ( 0.000 -3.096 0.000) 3.096 5.880 ( -0.000 0.125 -0.000) 0.125 5.920 ( -0.000 0.239 -0.000) 0.239 6.376 ( 0.000 -9.033 0.000) 9.033 6.457 ( -0.000 0.817 -0.000) 0.817 6.658 ( -0.000 0.498 -0.000) 0.498 7.064 ( 0.000 -1.011 0.000) 1.011 7.258 ( 0.000 -0.335 0.000) 0.335 7.691 ( 0.000 -4.332 0.000) 4.332 8.065 ( -0.000 1.496 -0.000) 1.496 8.233 ( -0.000 2.398 -0.000) 2.398 8.470 ( -0.000 0.020 -0.000) 0.020 8.661 ( -0.000 1.019 -0.000) 1.019 8.684 ( -0.000 16.488 -0.000) 16.488 9.114 ( -0.000 0.700 -0.000) 0.700 9.348 ( -0.000 2.267 -0.000) 2.267 9.415 ( -0.000 0.628 -0.000) 0.628 9.681 ( 0.000 -2.107 0.000) 2.107 9.873 ( 0.000 -4.997 0.000) 4.997 10.333 ( -0.000 3.689 -0.000) 3.689 10.454 ( -0.000 4.749 -0.000) 4.749 10.496 ( 0.000 -6.235 0.000) 6.235 10.566 ( 0.000 -2.628 0.000) 2.628 10.625 ( 0.000 -2.801 0.000) 2.801 10.754 ( -0.000 6.057 -0.000) 6.057 10.811 ( 0.000 -2.812 0.000) 2.812 10.882 ( -0.000 5.434 -0.000) 5.434 11.787 ( 0.000 -11.293 0.000) 11.293 11.994 ( 0.000 -2.096 0.000) 2.096 12.164 ( -0.000 3.182 -0.000) 3.182 12.521 ( -0.000 4.374 -0.000) 4.374 12.987 ( -0.000 0.417 -0.000) 0.417 13.026 ( -0.000 0.743 -0.000) 0.743 13.524 ( -0.000 2.679 -0.000) 2.679 13.638 ( -0.000 3.040 -0.000) 3.040 13.721 ( -0.000 1.101 -0.000) 1.101 13.841 ( -0.000 1.482 -0.000) 1.482 13.993 ( -0.000 8.610 -0.000) 8.610 14.349 ( -0.000 2.046 -0.000) 2.046 14.662 ( -0.000 0.708 -0.000) 0.708 14.861 ( 0.000 -1.917 0.000) 1.917 16.148 ( 0.000 -4.834 0.000) 4.834 16.572 ( 0.000 -15.441 0.000) 15.441 17.918 ( -0.000 0.314 -0.000) 0.314 18.031 ( 0.000 -1.981 0.000) 1.981 ======================= Grid point 24 (17/168) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 16.525 0.000 9.718) 19.171 0.853 ( 16.693 0.000 10.625) 19.788 1.226 ( 10.495 0.000 6.201) 12.190 1.369 ( 19.233 0.000 1.833) 19.321 1.416 ( 13.763 0.000 -4.757) 14.562 1.609 ( 23.470 0.000 12.670) 26.671 1.944 ( 1.814 0.000 -9.963) 10.127 2.402 ( -5.297 -0.000 -10.146) 11.446 2.619 ( -3.947 -0.000 1.773) 4.327 2.858 ( 1.478 0.000 -5.647) 5.837 2.884 ( -6.704 -0.000 6.319) 9.213 3.039 ( -1.666 -0.000 6.548) 6.757 3.171 ( -4.524 -0.000 7.416) 8.688 3.257 ( -3.078 -0.000 -0.763) 3.171 3.650 ( -0.399 -0.000 -8.447) 8.457 3.699 ( 0.556 0.000 -12.392) 12.404 4.222 ( 3.190 0.000 6.742) 7.459 4.290 ( -7.092 -0.000 5.562) 9.013 4.485 ( -1.886 -0.000 -2.530) 3.156 4.569 ( 0.613 0.000 1.924) 2.019 4.651 ( -0.795 -0.000 0.984) 1.265 4.905 ( 1.560 0.000 -0.457) 1.625 5.126 ( -4.230 -0.000 1.382) 4.451 5.318 ( -3.103 -0.000 -5.499) 6.314 5.498 ( -0.567 -0.000 -7.178) 7.201 5.511 ( 6.533 0.000 2.632) 7.044 5.662 ( -0.206 -0.000 0.041) 0.210 5.795 ( -1.833 -0.000 -4.625) 4.975 5.882 ( 1.677 0.000 4.039) 4.373 5.915 ( -2.743 -0.000 3.360) 4.337 6.328 ( -4.188 -0.000 -0.536) 4.223 6.550 ( -1.623 -0.000 -3.835) 4.164 7.024 ( -3.321 -0.000 3.380) 4.739 7.041 ( -2.401 -0.000 0.362) 2.429 7.627 ( 6.253 0.000 10.975) 12.631 7.845 ( -4.324 -0.000 -6.160) 7.526 7.949 ( -0.073 -0.000 8.703) 8.703 8.014 ( -6.015 -0.000 -5.581) 8.206 8.319 ( 1.157 0.000 0.135) 1.165 8.357 ( 0.775 0.000 -0.734) 1.067 8.522 ( 1.083 0.000 -0.978) 1.459 8.538 ( -3.091 -0.000 -1.218) 3.322 9.245 ( -0.983 -0.000 -1.138) 1.503 9.450 ( 3.096 0.000 -1.986) 3.679 9.667 ( -5.400 -0.000 7.193) 8.995 9.928 ( -4.642 -0.000 0.230) 4.648 10.203 ( -4.762 -0.000 0.035) 4.762 10.287 ( -1.420 -0.000 1.513) 2.075 10.516 ( -7.972 -0.000 3.964) 8.903 10.567 ( -3.836 -0.000 0.374) 3.854 10.675 ( 4.258 0.000 2.177) 4.782 10.763 ( -6.489 -0.000 -1.032) 6.570 10.995 ( 8.501 0.000 0.222) 8.503 11.133 ( 1.871 0.000 -14.619) 14.739 11.915 ( -0.030 -0.000 2.272) 2.272 12.045 ( 5.886 0.000 -1.880) 6.179 12.220 ( 1.327 0.000 1.417) 1.942 12.272 ( 0.626 0.000 -0.631) 0.889 13.001 ( -1.132 -0.000 0.265) 1.162 13.046 ( -3.781 -0.000 1.940) 4.249 13.530 ( -0.434 -0.000 4.371) 4.392 13.563 ( 3.282 0.000 -1.850) 3.768 13.696 ( 2.421 0.000 1.097) 2.658 13.834 ( 1.627 0.000 -1.117) 1.974 14.016 ( 8.098 0.000 2.707) 8.538 14.079 ( 1.878 0.000 -2.658) 3.255 14.724 ( 9.642 0.000 -4.080) 10.470 15.087 ( 12.051 0.000 -8.887) 14.973 16.641 ( -7.723 -0.000 5.855) 9.691 16.671 ( -11.462 -0.000 4.942) 12.482 17.910 ( -1.278 -0.000 -0.504) 1.374 17.917 ( -0.137 -0.000 0.771) 0.783 ======================= Grid point 25 (18/168) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 13.125 -3.822 9.565) 16.684 1.080 ( 16.068 -5.590 8.804) 19.156 1.271 ( 9.949 3.326 2.562) 10.799 1.483 ( 14.100 -0.772 -2.387) 14.322 1.615 ( 17.620 -5.499 7.151) 19.795 1.822 ( -0.112 -4.884 -7.226) 8.723 2.061 ( 15.969 -6.661 6.872) 18.617 2.307 ( -4.725 0.119 -8.999) 10.164 2.544 ( -2.694 2.975 -4.077) 5.721 2.849 ( -4.530 -2.142 0.302) 5.020 2.933 ( 1.442 -5.265 1.278) 5.607 3.086 ( -3.549 -4.122 8.058) 9.722 3.155 ( -3.283 1.657 2.891) 4.678 3.231 ( -0.962 1.123 0.469) 1.551 3.523 ( 0.603 4.493 -8.247) 9.410 3.697 ( 0.192 -0.555 -7.671) 7.694 4.115 ( -0.721 7.715 2.261) 8.072 4.389 ( -3.362 -3.417 6.610) 8.166 4.441 ( -0.444 1.984 -2.180) 2.981 4.586 ( 0.256 -0.325 1.525) 1.580 4.664 ( -0.532 -1.580 1.144) 2.023 4.890 ( 1.373 2.283 -0.258) 2.676 5.082 ( -4.111 2.000 0.524) 4.602 5.262 ( -1.281 1.820 -3.213) 3.909 5.368 ( -0.720 5.607 -2.082) 6.024 5.631 ( 2.851 -3.921 1.358) 5.034 5.668 ( -0.381 0.190 -2.963) 2.993 5.778 ( -3.323 -2.953 -1.965) 4.861 5.865 ( -2.912 2.290 3.594) 5.162 5.945 ( 2.177 -0.407 3.645) 4.265 6.266 ( -5.086 2.395 -0.212) 5.626 6.507 ( -1.210 1.990 -4.164) 4.771 6.865 ( -1.543 11.078 -2.326) 11.424 7.010 ( -1.075 3.790 3.750) 5.438 7.692 ( -4.714 7.176 -6.024) 10.489 7.699 ( 5.681 3.606 8.682) 10.985 7.986 ( -2.981 -5.929 -2.332) 7.034 8.094 ( -1.142 -7.895 3.060) 8.544 8.346 ( -1.315 -3.214 0.631) 3.530 8.482 ( 0.825 -9.323 -1.026) 9.415 8.500 ( -2.758 -2.376 -0.069) 3.641 8.616 ( -0.812 -8.791 -1.247) 8.917 9.243 ( -0.062 -0.877 -0.993) 1.327 9.461 ( 2.907 0.493 -2.077) 3.607 9.621 ( -4.021 3.480 5.462) 7.623 9.907 ( -5.404 -0.533 2.427) 5.948 10.167 ( -4.021 -0.079 -1.324) 4.234 10.302 ( -3.308 -2.104 1.353) 4.147 10.473 ( -7.198 -1.584 0.853) 7.420 10.527 ( -4.760 0.754 0.665) 4.865 10.651 ( 1.044 3.695 -0.862) 3.935 10.770 ( -1.414 -3.023 0.794) 3.431 10.979 ( 2.669 5.426 -4.626) 7.614 11.125 ( 3.793 -2.877 -5.294) 7.120 11.909 ( 4.112 4.507 2.087) 6.448 12.036 ( 4.658 5.255 1.144) 7.115 12.250 ( 6.314 -1.182 0.581) 6.450 12.316 ( 0.377 -3.024 -0.107) 3.049 12.979 ( -1.927 0.336 0.629) 2.055 13.055 ( -3.703 -2.177 1.105) 4.435 13.547 ( -1.103 -0.233 3.454) 3.633 13.578 ( 0.649 -1.329 -1.861) 2.377 13.757 ( 3.630 -2.812 1.861) 4.955 13.852 ( 1.883 -0.998 -1.341) 2.518 14.109 ( 4.195 -4.109 -0.073) 5.872 14.190 ( 4.655 -9.722 1.415) 10.872 14.787 ( 8.578 -0.628 -2.372) 8.922 15.096 ( 9.186 3.016 -12.678) 15.944 16.476 ( -4.401 13.862 4.297) 15.166 16.545 ( -10.189 7.877 6.501) 14.427 17.905 ( -1.556 -0.595 -0.570) 1.761 17.922 ( -0.506 -0.314 0.561) 0.818 ======================= Grid point 26 (19/168) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 8.600 -3.295 6.404) 11.217 1.326 ( 13.446 -1.000 9.558) 16.527 1.371 ( 12.112 -7.745 1.590) 14.465 1.598 ( 10.568 -1.493 -0.844) 10.706 1.838 ( 4.863 -5.179 -4.627) 8.478 1.922 ( 11.773 -6.528 6.650) 15.015 2.178 ( -4.035 -1.423 -1.742) 4.620 2.318 ( -0.012 -4.972 0.413) 4.990 2.467 ( -3.757 0.447 -5.133) 6.377 2.906 ( -0.483 -7.304 -3.086) 7.944 2.933 ( -3.369 5.797 -1.354) 6.840 3.153 ( -0.123 -2.126 4.498) 4.976 3.207 ( -0.904 1.616 1.862) 2.626 3.224 ( 3.352 -8.533 1.387) 9.272 3.487 ( 1.627 -1.704 -2.423) 3.380 3.632 ( 0.202 4.977 -2.626) 5.631 4.018 ( -0.420 3.339 -2.196) 4.019 4.327 ( -6.603 2.718 -3.181) 7.817 4.437 ( 1.332 3.207 5.962) 6.900 4.586 ( 0.260 1.532 1.726) 2.323 4.691 ( -0.586 -1.064 -0.581) 1.346 4.866 ( 1.135 1.559 0.494) 1.991 5.021 ( -2.734 1.844 0.230) 3.306 5.213 ( 0.638 2.890 0.574) 3.014 5.283 ( -0.296 3.413 -2.040) 3.988 5.595 ( -1.576 3.771 -2.816) 4.963 5.706 ( 1.019 0.375 1.810) 2.111 5.808 ( -1.887 -4.537 -1.267) 5.075 5.839 ( -3.934 -0.344 3.641) 5.371 5.976 ( -1.167 -0.996 2.819) 3.209 6.194 ( -1.667 2.157 1.200) 2.979 6.414 ( 1.733 5.678 -5.427) 8.043 6.695 ( -1.381 5.912 -3.604) 7.060 6.951 ( 0.431 4.658 4.115) 6.230 7.496 ( -6.203 6.381 -7.427) 11.591 7.676 ( 2.443 5.829 4.636) 7.838 8.084 ( -1.896 -7.307 -1.957) 7.799 8.236 ( 1.951 -6.148 5.097) 8.221 8.386 ( -1.301 -1.995 0.903) 2.547 8.482 ( -2.091 -0.664 -1.395) 2.600 8.714 ( -0.350 -14.683 0.973) 14.719 8.780 ( -1.556 -12.026 -1.319) 12.197 9.261 ( 0.685 -1.218 -0.506) 1.486 9.458 ( 1.560 0.577 -2.885) 3.330 9.568 ( -2.051 2.360 4.758) 5.694 9.871 ( -5.755 1.319 4.533) 7.444 10.114 ( -5.949 1.311 -0.556) 6.117 10.305 ( -4.351 -1.956 -1.315) 4.948 10.475 ( -2.704 -0.361 -0.566) 2.786 10.499 ( -4.008 -4.084 0.073) 5.723 10.606 ( 1.986 2.082 -1.934) 3.467 10.805 ( -1.527 -1.464 1.429) 2.553 10.875 ( -0.004 4.376 -4.965) 6.618 11.198 ( 4.156 -3.228 -0.958) 5.348 11.818 ( 2.031 8.275 -3.355) 9.158 12.006 ( 6.949 6.208 7.676) 12.073 12.331 ( 5.507 -1.771 -1.119) 5.892 12.372 ( 2.378 -2.596 1.230) 3.729 12.970 ( -2.674 -1.055 0.276) 2.888 13.059 ( -3.258 -1.139 0.490) 3.486 13.551 ( -1.511 -0.431 1.334) 2.061 13.606 ( 0.282 -2.004 -0.630) 2.120 13.850 ( 3.528 -3.657 2.227) 5.548 13.878 ( 1.836 -1.119 -2.067) 2.983 14.225 ( 1.427 -6.495 0.640) 6.681 14.449 ( 6.069 -13.492 3.997) 15.325 14.856 ( 6.745 -1.555 -1.565) 7.097 15.009 ( 4.303 5.286 -15.087) 16.555 16.194 ( -1.908 17.670 2.273) 17.917 16.325 ( -6.629 13.650 7.153) 16.776 17.899 ( -1.475 -0.507 -0.396) 1.609 17.922 ( -0.618 0.054 0.382) 0.728 ======================= Grid point 27 (20/168) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 4.968 0.507 2.194) 5.454 1.510 ( 9.422 -5.958 4.938) 12.193 1.614 ( 14.034 -4.069 5.578) 15.640 1.686 ( 5.429 -2.138 2.024) 6.176 1.924 ( 6.327 -3.995 -7.729) 10.758 2.129 ( 3.643 -4.028 8.634) 10.200 2.168 ( -2.114 -0.212 2.019) 2.931 2.387 ( -4.956 -2.244 -0.841) 5.505 2.463 ( -2.635 -8.687 0.762) 9.110 2.790 ( -2.217 4.115 -4.778) 6.684 3.035 ( 0.392 -9.499 -5.742) 11.107 3.156 ( -1.418 2.593 -0.277) 2.968 3.211 ( -1.350 0.219 6.534) 6.675 3.348 ( 1.962 -3.188 -4.286) 5.691 3.519 ( 3.064 2.643 -4.276) 5.887 3.560 ( 0.649 0.227 4.344) 4.398 3.968 ( -1.172 0.368 -4.252) 4.426 4.219 ( -5.644 2.327 -1.849) 6.379 4.406 ( -0.033 3.142 4.132) 5.191 4.564 ( 0.896 2.402 1.925) 3.206 4.674 ( -2.232 1.253 -1.761) 3.107 4.859 ( 1.875 1.117 0.008) 2.183 4.977 ( -1.273 0.850 -1.152) 1.916 5.144 ( -0.040 6.552 4.173) 7.768 5.249 ( 1.827 -0.066 -3.949) 4.352 5.497 ( -0.491 5.651 -0.880) 5.740 5.687 ( 0.524 2.199 -1.317) 2.617 5.818 ( -2.763 0.568 2.625) 3.853 5.875 ( -3.849 -4.819 1.611) 6.375 6.002 ( -5.427 -3.786 1.363) 6.756 6.206 ( 4.307 -0.994 2.371) 5.016 6.336 ( 6.582 4.224 -2.023) 8.079 6.582 ( -2.137 4.382 -3.458) 5.977 6.908 ( 1.509 3.639 4.404) 5.909 7.324 ( -6.595 3.628 -7.477) 10.610 7.612 ( 0.235 4.508 2.381) 5.104 8.145 ( -2.427 -3.276 -3.366) 5.287 8.376 ( 2.628 -4.675 6.132) 8.147 8.402 ( -0.313 -0.581 0.281) 0.717 8.469 ( -1.498 -0.143 -1.021) 1.819 8.961 ( -1.046 -13.201 -0.001) 13.243 8.978 ( 0.922 -12.508 0.483) 12.551 9.285 ( 0.753 -1.035 -0.049) 1.281 9.438 ( -1.049 0.242 -2.938) 3.129 9.559 ( 0.263 0.400 3.489) 3.522 9.821 ( -5.485 1.945 4.937) 7.632 10.045 ( -6.846 0.318 1.100) 6.941 10.284 ( -2.544 0.266 -2.367) 3.485 10.461 ( -4.395 -1.821 0.379) 4.772 10.553 ( 2.531 -2.247 -4.102) 5.318 10.594 ( 3.355 0.892 -0.164) 3.475 10.782 ( -3.730 0.766 0.370) 3.825 10.832 ( -1.146 -1.475 -3.002) 3.536 11.275 ( 3.157 -2.179 0.671) 3.894 11.660 ( -0.192 8.276 -5.021) 9.682 11.988 ( 6.720 6.982 8.393) 12.820 12.371 ( 1.244 -1.067 -1.581) 2.277 12.456 ( 6.109 -1.878 1.898) 6.667 12.973 ( -3.189 -1.853 0.103) 3.689 13.049 ( -3.089 -0.522 0.075) 3.133 13.556 ( -0.983 -0.800 0.819) 1.509 13.640 ( 0.198 -1.998 -0.541) 2.080 13.892 ( 1.479 -0.280 -2.813) 3.191 13.952 ( 2.923 -3.766 2.468) 5.369 14.340 ( -0.167 -5.281 2.325) 5.773 14.716 ( 0.487 -7.899 -1.829) 8.122 14.896 ( 6.785 -0.196 -8.053) 10.532 14.943 ( 5.360 -4.188 -2.031) 7.098 15.882 ( -1.184 18.266 0.019) 18.305 16.061 ( -3.914 16.429 7.078) 18.312 17.898 ( -1.026 -0.676 -0.067) 1.231 17.916 ( -0.534 0.190 0.207) 0.603 ======================= Grid point 28 (21/168) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 2.265 1.124 0.245) 2.540 1.656 ( 6.734 -0.473 -0.021) 6.750 1.745 ( 6.675 -1.506 9.670) 11.846 1.830 ( 7.523 -4.377 3.206) 9.275 1.996 ( 5.398 -2.196 -2.899) 6.509 2.150 ( -1.105 2.281 3.249) 4.120 2.218 ( -1.144 -2.757 3.278) 4.433 2.337 ( -5.630 0.750 -1.565) 5.892 2.646 ( -0.905 -8.947 1.867) 9.185 2.752 ( -0.040 -3.640 -3.103) 4.784 3.070 ( -1.465 3.836 -1.410) 4.341 3.160 ( -4.065 4.446 0.048) 6.025 3.183 ( 1.984 -7.735 -5.437) 9.660 3.336 ( -5.291 0.466 -3.586) 6.409 3.476 ( 4.405 3.592 1.129) 5.795 3.609 ( 3.050 -1.158 2.401) 4.050 3.934 ( -2.959 -0.996 -4.615) 5.572 4.164 ( -1.710 -0.085 -0.010) 1.712 4.391 ( -0.200 0.513 2.685) 2.741 4.529 ( 0.968 3.684 -1.058) 3.953 4.603 ( -5.422 1.236 -0.714) 5.607 4.842 ( 2.688 2.566 -2.017) 4.228 4.986 ( 0.082 -2.258 0.714) 2.369 5.059 ( 0.470 5.380 2.617) 6.001 5.245 ( -0.301 0.241 -2.590) 2.618 5.410 ( 3.192 4.466 0.904) 5.564 5.638 ( -0.255 2.077 -1.029) 2.332 5.827 ( -1.022 -2.005 -1.031) 2.475 5.903 ( -4.665 -1.264 1.010) 4.937 5.990 ( -6.626 -0.100 -0.723) 6.666 6.286 ( 4.481 -1.332 3.345) 5.748 6.372 ( 8.574 0.170 1.711) 8.744 6.495 ( 0.357 2.002 -0.381) 2.069 6.899 ( 2.564 1.898 6.124) 6.905 7.204 ( -5.569 0.737 -7.024) 8.995 7.556 ( -1.339 2.339 0.263) 2.708 8.138 ( -2.634 -1.070 -4.450) 5.281 8.398 ( -1.218 0.049 0.666) 1.389 8.448 ( -0.373 0.441 -0.332) 0.666 8.502 ( 3.006 -3.180 4.481) 6.263 9.133 ( 1.033 -7.540 -1.237) 7.711 9.189 ( 3.092 -8.520 1.242) 9.148 9.311 ( -0.760 -2.511 0.004) 2.623 9.413 ( -2.381 -0.530 -1.873) 3.075 9.577 ( -0.172 -0.814 1.109) 1.387 9.773 ( -3.735 1.895 4.860) 6.416 10.020 ( -6.009 -2.305 2.846) 7.038 10.246 ( -1.951 0.757 -0.709) 2.209 10.460 ( -0.751 -0.410 -0.892) 1.236 10.555 ( 3.975 1.037 -6.623) 7.794 10.629 ( 3.910 -0.296 1.748) 4.293 10.771 ( -4.782 -2.423 -0.761) 5.414 10.843 ( -2.232 -2.970 -1.127) 3.882 11.317 ( 1.525 0.129 1.177) 1.930 11.503 ( -2.073 6.125 -4.994) 8.171 11.958 ( 5.013 6.171 7.020) 10.606 12.380 ( 0.605 -0.089 -1.305) 1.441 12.538 ( 5.987 -0.983 2.032) 6.399 12.983 ( -3.293 -2.265 0.083) 3.998 13.031 ( -2.966 -0.260 -0.259) 2.988 13.572 ( -0.081 -0.992 0.894) 1.338 13.670 ( 0.258 -1.722 -0.624) 1.850 13.884 ( 0.899 0.661 -2.867) 3.077 14.031 ( 1.227 -1.783 1.881) 2.868 14.407 ( -1.312 -1.636 2.759) 3.465 14.647 ( -4.293 1.818 -10.280) 11.287 15.054 ( 3.673 -8.260 -0.393) 9.048 15.132 ( 13.565 -8.649 -0.578) 16.098 15.565 ( -1.133 17.449 -1.476) 17.548 15.788 ( -5.711 14.794 7.878) 17.707 17.905 ( -0.508 -0.750 0.131) 0.916 17.912 ( -0.286 -0.104 0.084) 0.316 ======================= Grid point 29 (22/168) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.741 0.850 -0.316) 1.171 1.670 ( 3.946 3.713 2.526) 5.978 1.837 ( 6.489 4.035 9.525) 12.212 1.927 ( 0.460 -2.206 -1.948) 2.979 2.060 ( 5.640 1.807 3.929) 7.107 2.114 ( -0.255 1.696 6.118) 6.353 2.264 ( -1.555 0.373 -2.957) 3.361 2.267 ( -1.708 -2.351 -2.894) 4.101 2.712 ( -3.673 -4.507 -7.563) 9.539 2.845 ( -0.382 -4.134 0.991) 4.268 2.992 ( -4.270 6.368 -3.850) 8.580 3.021 ( -0.546 2.210 0.770) 2.403 3.266 ( -3.938 0.319 1.529) 4.236 3.297 ( 1.025 -4.834 -5.798) 7.618 3.434 ( 1.521 6.016 2.103) 6.552 3.664 ( 3.014 -1.011 2.996) 4.368 3.950 ( -1.591 -5.499 -2.425) 6.217 4.185 ( 0.487 -2.329 0.585) 2.450 4.345 ( -2.849 5.090 -1.776) 6.097 4.484 ( 3.171 1.082 -2.153) 3.983 4.587 ( -5.290 -4.042 1.965) 6.942 4.802 ( 1.867 3.128 -1.745) 4.039 4.993 ( 0.181 4.197 1.363) 4.416 5.007 ( -1.052 0.593 0.485) 1.301 5.246 ( -0.903 -3.729 -0.484) 3.867 5.426 ( 7.346 -0.037 1.649) 7.529 5.610 ( -0.724 0.509 -1.066) 1.385 5.817 ( -3.363 0.630 -4.621) 5.750 5.881 ( -3.881 -0.700 4.068) 5.666 5.927 ( -2.762 1.659 -2.366) 3.997 6.274 ( 0.341 5.764 -1.482) 5.961 6.414 ( 3.594 -0.843 0.540) 3.731 6.585 ( 6.010 -3.839 7.019) 10.006 6.949 ( 4.307 -0.401 8.492) 9.530 7.143 ( -3.863 -1.783 -6.664) 7.907 7.515 ( -2.407 0.223 -2.078) 3.188 8.115 ( -1.749 -0.916 -3.958) 4.423 8.387 ( -1.027 0.454 -0.237) 1.147 8.436 ( -0.086 0.469 0.341) 0.586 8.584 ( 1.976 -2.000 3.062) 4.157 9.197 ( 2.598 0.526 -1.018) 2.839 9.309 ( 3.815 -2.031 -0.121) 4.324 9.372 ( -0.114 -5.334 -1.537) 5.552 9.404 ( -2.570 -0.513 0.849) 2.755 9.582 ( -3.945 -1.408 -0.681) 4.244 9.755 ( 0.068 1.135 4.589) 4.728 10.048 ( -4.722 -4.247 2.740) 6.917 10.241 ( -0.950 -1.634 1.938) 2.708 10.462 ( 4.081 0.450 -2.465) 4.789 10.535 ( 1.902 0.962 -4.331) 4.826 10.670 ( 2.402 -1.005 -0.677) 2.690 10.751 ( -4.808 -0.368 -0.712) 4.874 10.890 ( -0.861 -3.687 0.115) 3.788 11.302 ( -0.338 2.965 1.163) 3.202 11.386 ( -3.221 2.289 -3.843) 5.512 11.932 ( 3.238 3.947 5.058) 7.187 12.371 ( 0.435 1.067 -0.886) 1.454 12.600 ( 4.949 0.012 1.915) 5.307 12.998 ( -3.002 -2.367 -0.044) 3.823 13.012 ( -2.312 -0.213 -0.331) 2.345 13.595 ( 0.712 -0.770 0.920) 1.395 13.696 ( 0.423 -1.361 -0.504) 1.511 13.858 ( 0.382 1.543 -2.115) 2.646 14.032 ( -2.052 1.707 -0.106) 2.671 14.410 ( 0.539 1.655 2.221) 2.821 14.567 ( -3.803 0.021 -5.319) 6.539 15.193 ( -1.888 2.603 -8.247) 8.852 15.238 ( 7.909 6.851 -0.148) 10.465 15.355 ( 9.749 2.071 0.618) 9.986 15.635 ( -9.080 -3.046 10.209) 13.998 17.914 ( -0.142 -0.575 0.125) 0.605 17.918 ( 0.042 -0.649 0.080) 0.655 ======================= Grid point 30 (23/168) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.280 2.639 -0.321) 2.673 1.611 ( 2.006 7.713 2.480) 8.347 1.789 ( 3.086 9.954 6.324) 12.190 1.876 ( -1.701 7.040 0.123) 7.244 1.994 ( 0.430 6.446 0.231) 6.465 2.168 ( 1.713 2.047 -1.216) 2.933 2.183 ( 1.454 1.504 -3.200) 3.823 2.401 ( 0.813 -9.931 9.371) 13.679 2.684 ( -7.513 -2.955 -13.195) 15.469 2.807 ( -0.986 6.458 -1.304) 6.662 2.891 ( 0.507 0.105 1.377) 1.471 3.048 ( 0.857 -1.767 0.594) 2.052 3.221 ( 0.003 6.872 1.581) 7.051 3.318 ( -0.943 -2.729 -4.184) 5.084 3.358 ( -0.897 3.437 1.555) 3.878 3.718 ( 1.569 -1.358 2.647) 3.363 4.041 ( -0.695 -5.604 -0.276) 5.654 4.217 ( -1.470 3.886 -2.240) 4.720 4.256 ( -0.015 -3.959 0.538) 3.996 4.489 ( 1.044 -1.612 -0.963) 2.149 4.658 ( -1.559 -5.663 0.357) 5.885 4.747 ( 0.179 3.710 -0.442) 3.740 4.935 ( -0.059 2.119 -0.409) 2.159 4.991 ( -0.470 0.442 0.413) 0.766 5.325 ( 0.676 -3.807 1.597) 4.184 5.525 ( 6.278 -3.992 0.039) 7.440 5.594 ( -1.889 -0.770 -0.513) 2.103 5.755 ( -3.025 0.745 -2.001) 3.702 5.873 ( -2.078 1.128 1.070) 2.595 5.906 ( -0.214 -1.705 -0.048) 1.720 6.147 ( -0.847 6.431 -2.585) 6.983 6.453 ( 1.730 -0.649 0.870) 2.042 6.690 ( 2.255 -0.833 4.032) 4.694 7.039 ( 4.356 -0.532 7.604) 8.779 7.144 ( -1.915 -4.140 -4.640) 6.506 7.497 ( -2.156 -1.955 -2.827) 4.058 8.108 ( -0.584 -0.897 -2.152) 2.403 8.363 ( -0.530 1.486 -0.290) 1.604 8.437 ( 0.115 -0.402 0.282) 0.504 8.631 ( 0.713 -1.295 1.268) 1.948 9.184 ( 1.822 2.073 -0.252) 2.771 9.333 ( 2.938 2.098 -1.401) 3.873 9.362 ( -2.335 3.408 1.329) 4.340 9.459 ( 4.716 -2.874 -1.101) 5.632 9.561 ( -7.542 -2.020 0.105) 7.809 9.767 ( 1.429 0.479 2.186) 2.656 10.121 ( -2.037 -6.493 1.680) 7.009 10.304 ( 0.106 -4.494 2.700) 5.243 10.482 ( 2.729 0.264 -2.021) 3.406 10.515 ( 4.253 1.156 -3.330) 5.524 10.658 ( -6.965 0.345 -0.343) 6.982 10.739 ( 2.378 -0.194 -0.902) 2.550 10.937 ( 0.215 -1.595 0.464) 1.675 11.220 ( -1.506 6.110 0.712) 6.333 11.353 ( -2.581 -2.877 -1.905) 4.309 11.926 ( 1.619 1.229 2.731) 3.404 12.342 ( 0.213 2.312 -0.416) 2.359 12.631 ( 2.947 1.001 1.272) 3.363 12.996 ( -1.795 -0.410 -0.416) 1.888 13.019 ( -1.312 -1.705 0.068) 2.153 13.610 ( 0.705 0.151 0.459) 0.855 13.720 ( 0.967 -0.982 -0.041) 1.379 13.817 ( -0.545 2.556 -0.905) 2.766 13.965 ( -2.487 2.909 -0.867) 3.924 14.390 ( 2.528 4.147 3.087) 5.755 14.504 ( -4.026 1.430 -4.404) 6.136 14.970 ( -1.903 10.675 -2.275) 11.080 15.069 ( 2.902 14.531 -1.633) 14.908 15.590 ( 3.436 -16.967 1.067) 17.345 15.774 ( -1.636 -9.964 3.927) 10.834 17.921 ( 0.002 -0.270 0.029) 0.272 17.936 ( 0.237 -1.259 0.125) 1.287 ======================= Grid point 31 (24/168) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.000 7.264 -0.000) 7.264 1.447 ( -0.000 13.962 -0.000) 13.962 1.640 ( -0.000 9.566 -0.000) 9.566 1.673 ( -0.000 15.531 -0.000) 15.531 1.912 ( -0.000 3.134 -0.000) 3.134 2.074 ( -0.000 8.346 -0.000) 8.346 2.113 ( -0.000 8.838 -0.000) 8.838 2.589 ( -0.000 1.937 -0.000) 1.937 2.662 ( 0.000 -12.303 0.000) 12.303 2.751 ( -0.000 1.418 -0.000) 1.418 2.853 ( -0.000 5.300 -0.000) 5.300 3.094 ( -0.000 5.061 -0.000) 5.061 3.095 ( 0.000 -3.408 0.000) 3.408 3.284 ( -0.000 5.041 -0.000) 5.041 3.371 ( 0.000 -4.139 0.000) 4.139 3.750 ( 0.000 -1.072 0.000) 1.072 4.088 ( -0.000 0.087 -0.000) 0.087 4.164 ( 0.000 -0.609 0.000) 0.609 4.354 ( 0.000 -6.302 0.000) 6.302 4.580 ( 0.000 -8.355 0.000) 8.355 4.683 ( -0.000 3.464 -0.000) 3.464 4.736 ( 0.000 -3.951 0.000) 3.951 4.932 ( 0.000 -2.027 0.000) 2.027 4.979 ( -0.000 0.734 -0.000) 0.734 5.368 ( 0.000 -0.054 0.000) 0.054 5.558 ( -0.000 0.828 -0.000) 0.828 5.670 ( 0.000 -5.434 0.000) 5.434 5.735 ( 0.000 -0.319 0.000) 0.319 5.856 ( 0.000 -0.028 0.000) 0.028 5.927 ( 0.000 -0.164 0.000) 0.164 6.086 ( 0.000 -2.456 0.000) 2.456 6.469 ( 0.000 -0.237 0.000) 0.237 6.696 ( -0.000 1.394 -0.000) 1.394 7.075 ( -0.000 0.626 -0.000) 0.626 7.196 ( 0.000 -3.651 0.000) 3.651 7.533 ( 0.000 -4.087 0.000) 4.087 8.108 ( -0.000 0.160 -0.000) 0.160 8.326 ( -0.000 2.498 -0.000) 2.498 8.451 ( 0.000 -0.893 0.000) 0.893 8.656 ( 0.000 -0.969 0.000) 0.969 9.159 ( -0.000 1.793 -0.000) 1.793 9.197 ( -0.000 11.980 -0.000) 11.980 9.353 ( 0.000 -0.573 0.000) 0.573 9.493 ( -0.000 1.893 -0.000) 1.893 9.576 ( 0.000 -4.243 0.000) 4.243 9.776 ( 0.000 -0.477 0.000) 0.477 10.245 ( 0.000 -7.964 0.000) 7.964 10.404 ( 0.000 -5.983 0.000) 5.983 10.452 ( -0.000 2.720 -0.000) 2.720 10.542 ( 0.000 -1.075 0.000) 1.075 10.588 ( -0.000 2.756 -0.000) 2.756 10.758 ( 0.000 -0.786 0.000) 0.786 10.939 ( -0.000 1.926 -0.000) 1.926 11.093 ( -0.000 7.644 -0.000) 7.644 11.429 ( 0.000 -7.795 0.000) 7.795 11.938 ( 0.000 -0.841 0.000) 0.841 12.293 ( -0.000 3.429 -0.000) 3.429 12.621 ( -0.000 1.884 -0.000) 1.884 12.992 ( 0.000 -0.114 0.000) 0.114 13.035 ( 0.000 -0.701 0.000) 0.701 13.601 ( -0.000 1.397 -0.000) 1.397 13.740 ( 0.000 -0.370 0.000) 0.370 13.756 ( -0.000 3.604 -0.000) 3.604 13.907 ( -0.000 2.378 -0.000) 2.378 14.305 ( -0.000 8.156 -0.000) 8.156 14.440 ( -0.000 2.385 -0.000) 2.385 14.810 ( -0.000 7.887 -0.000) 7.887 14.880 ( -0.000 6.655 -0.000) 6.655 15.929 ( 0.000 -8.070 0.000) 8.070 15.930 ( 0.000 -20.354 0.000) 20.354 17.924 ( 0.000 -0.011 0.000) 0.011 17.963 ( 0.000 -1.780 0.000) 1.780 ======================= Grid point 36 (25/168) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 13.064 0.000 8.457) 15.562 1.179 ( 14.941 0.000 7.077) 16.532 1.430 ( 13.486 0.000 4.854) 14.333 1.545 ( 11.208 0.000 -4.837) 12.207 1.734 ( -0.983 -0.000 -6.102) 6.180 1.795 ( 20.112 0.000 11.326) 23.082 2.160 ( 10.315 0.000 7.585) 12.804 2.211 ( -4.719 -0.000 -11.778) 12.688 2.514 ( -5.358 -0.000 -8.386) 9.951 2.795 ( -1.719 -0.000 -7.854) 8.040 2.890 ( 2.086 0.000 9.965) 10.181 3.054 ( -5.336 -0.000 7.987) 9.606 3.170 ( -2.165 -0.000 3.590) 4.192 3.247 ( 0.292 0.000 1.736) 1.760 3.557 ( 0.044 0.000 -9.451) 9.451 3.608 ( 1.132 0.000 -10.091) 10.154 4.223 ( -8.430 -0.000 5.820) 10.244 4.361 ( 6.290 0.000 6.661) 9.162 4.435 ( -0.711 -0.000 -2.586) 2.682 4.585 ( -1.935 -0.000 2.794) 3.398 4.674 ( 2.497 0.000 2.514) 3.543 4.920 ( 1.143 0.000 -1.217) 1.669 5.069 ( -4.367 -0.000 0.804) 4.440 5.225 ( -3.430 -0.000 -2.719) 4.377 5.408 ( -2.684 -0.000 -5.714) 6.312 5.572 ( -1.603 -0.000 -0.219) 1.618 5.672 ( 2.575 0.000 0.525) 2.628 5.714 ( -3.091 -0.000 -4.086) 5.124 5.899 ( -2.872 -0.000 2.868) 4.059 5.983 ( 3.286 0.000 6.831) 7.580 6.248 ( -4.245 -0.000 -0.716) 4.305 6.485 ( -2.004 -0.000 -3.882) 4.369 6.975 ( -4.986 -0.000 -2.022) 5.381 7.012 ( -0.770 -0.000 1.039) 1.293 7.692 ( -6.455 -0.000 -8.712) 10.842 7.815 ( 5.276 0.000 8.667) 10.147 7.865 ( -5.142 -0.000 -5.728) 7.697 8.038 ( 0.875 0.000 8.083) 8.130 8.342 ( 1.331 0.000 0.577) 1.451 8.352 ( 0.189 0.000 -1.728) 1.738 8.489 ( -2.271 -0.000 -0.080) 2.273 8.534 ( 0.935 0.000 0.105) 0.941 9.240 ( 1.884 0.000 -0.716) 2.016 9.481 ( 2.795 0.000 -1.672) 3.257 9.652 ( -4.011 -0.000 5.518) 6.822 9.865 ( -3.883 -0.000 1.202) 4.065 10.134 ( -2.732 -0.000 -1.428) 3.083 10.257 ( -6.313 -0.000 0.306) 6.321 10.402 ( -6.420 -0.000 0.929) 6.487 10.494 ( -5.941 -0.000 0.674) 5.979 10.642 ( -5.597 -0.000 -3.710) 6.715 10.773 ( 4.537 0.000 3.093) 5.491 11.012 ( -1.846 -0.000 -9.866) 10.037 11.095 ( 4.688 0.000 -0.018) 4.688 12.023 ( 6.913 0.000 5.244) 8.677 12.137 ( 7.497 0.000 -1.777) 7.705 12.293 ( 4.793 0.000 5.414) 7.231 12.299 ( 4.002 0.000 -1.190) 4.175 12.986 ( -1.214 -0.000 0.637) 1.371 12.990 ( -6.036 -0.000 2.474) 6.523 13.556 ( -0.403 -0.000 -1.857) 1.900 13.558 ( -1.241 -0.000 4.152) 4.333 13.773 ( 4.395 0.000 1.947) 4.807 13.853 ( 1.869 0.000 -0.763) 2.018 14.075 ( 1.426 0.000 -3.850) 4.106 14.173 ( 8.026 0.000 2.694) 8.466 14.843 ( 8.470 0.000 -1.561) 8.613 15.108 ( 4.727 0.000 -17.161) 17.801 16.568 ( -6.419 -0.000 2.554) 6.909 16.579 ( -7.619 -0.000 9.169) 11.921 17.884 ( -1.317 -0.000 -0.512) 1.413 17.922 ( -0.231 -0.000 0.784) 0.817 ======================= Grid point 37 (26/168) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 10.017 -1.331 6.836) 12.200 1.381 ( 14.952 -5.433 5.408) 16.802 1.500 ( 12.411 4.108 5.189) 14.066 1.658 ( 11.195 -1.899 -0.488) 11.366 1.749 ( 1.392 -5.218 -4.590) 7.088 2.003 ( 12.571 -2.700 11.600) 17.317 2.120 ( -0.616 0.751 -6.494) 6.566 2.249 ( -2.106 -2.572 0.447) 3.354 2.414 ( -5.421 0.938 -7.837) 9.575 2.767 ( -2.901 -4.178 -7.677) 9.209 2.997 ( -0.755 2.921 3.385) 4.534 3.078 ( -1.365 -5.442 6.098) 8.286 3.158 ( 2.311 -0.649 -0.714) 2.504 3.262 ( 1.172 -0.043 4.019) 4.186 3.477 ( 1.263 1.390 -3.960) 4.383 3.629 ( 0.466 -2.743 -7.001) 7.534 4.121 ( -3.224 6.716 4.882) 8.907 4.324 ( -2.574 4.856 -2.657) 6.105 4.512 ( 2.432 -0.202 5.929) 6.412 4.592 ( -1.068 -2.006 0.959) 2.467 4.701 ( 3.258 1.380 2.752) 4.482 4.901 ( 0.330 1.724 -0.049) 1.756 5.025 ( -3.400 1.275 0.025) 3.632 5.213 ( -1.885 -1.501 -1.587) 2.885 5.319 ( -1.651 3.298 -3.446) 5.048 5.582 ( -2.947 -2.000 -2.510) 4.357 5.691 ( -3.846 -2.771 -1.919) 5.114 5.724 ( 2.434 -2.782 0.446) 3.724 5.852 ( -2.996 3.574 3.646) 5.919 6.006 ( -0.893 2.618 3.571) 4.517 6.218 ( 0.225 0.740 0.898) 1.185 6.448 ( -1.305 0.797 -3.332) 3.666 6.797 ( -3.017 9.583 -3.954) 10.797 7.028 ( -0.899 1.334 3.121) 3.511 7.526 ( -6.361 6.781 -9.588) 13.356 7.775 ( -2.079 3.575 -1.646) 4.451 7.948 ( 1.433 -6.572 3.293) 7.489 8.155 ( 1.107 -7.256 6.141) 9.570 8.351 ( 0.343 -1.789 1.658) 2.463 8.466 ( -0.822 0.400 -0.572) 1.078 8.480 ( -0.257 -11.845 -1.108) 11.899 8.600 ( -0.439 -6.600 -0.309) 6.622 9.262 ( 3.272 -0.315 -0.127) 3.289 9.482 ( 1.950 1.293 -1.674) 2.877 9.619 ( -2.210 2.719 4.413) 5.635 9.854 ( -4.431 -0.464 3.065) 5.407 10.092 ( -4.853 1.779 -1.322) 5.335 10.211 ( -6.620 -3.001 -2.553) 7.704 10.407 ( -1.490 -3.391 0.923) 3.817 10.444 ( -6.265 0.426 0.424) 6.294 10.588 ( -3.637 -0.655 -4.225) 5.613 10.817 ( 3.287 0.460 2.803) 4.344 10.918 ( -1.911 3.755 -5.926) 7.271 11.163 ( 3.394 -3.395 -0.288) 4.810 11.992 ( 4.379 9.427 -0.552) 10.409 12.187 ( 8.286 2.211 5.545) 10.213 12.334 ( 3.644 -0.447 -0.879) 3.775 12.389 ( 7.722 -1.571 4.435) 9.042 12.941 ( -4.503 0.306 1.362) 4.714 13.006 ( -3.147 -2.004 0.926) 3.844 13.542 ( -1.133 0.137 0.441) 1.223 13.578 ( -0.416 -1.286 1.347) 1.908 13.836 ( 3.628 -2.273 2.196) 4.811 13.871 ( 1.984 -0.708 -0.822) 2.261 14.117 ( 0.521 -5.609 -2.772) 6.278 14.322 ( 6.945 -8.793 2.938) 11.583 14.896 ( 6.921 0.299 -1.280) 7.045 15.012 ( -0.524 2.576 -19.045) 19.225 16.433 ( -4.414 10.958 1.970) 11.977 16.510 ( -3.703 7.928 9.274) 12.750 17.877 ( -1.271 -0.481 -0.429) 1.425 17.922 ( -0.337 0.111 0.615) 0.710 ======================= Grid point 38 (27/168) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 6.630 0.833 3.266) 7.438 1.557 ( 12.156 -0.541 3.310) 12.610 1.649 ( 10.982 -6.199 7.349) 14.596 1.741 ( 7.104 -0.358 1.980) 7.384 1.867 ( 6.361 -5.396 -3.678) 9.116 2.095 ( -3.260 -4.587 -2.364) 6.104 2.181 ( 1.556 0.079 7.694) 7.850 2.290 ( 2.484 -5.065 2.002) 5.986 2.349 ( -4.084 -1.879 -3.110) 5.467 2.815 ( -3.035 -6.844 -9.157) 11.828 2.860 ( -3.395 5.051 -2.788) 6.694 3.134 ( -2.808 -1.744 3.311) 4.678 3.232 ( 0.435 -1.749 1.494) 2.341 3.304 ( 3.214 -1.298 -3.159) 4.689 3.499 ( 1.288 -2.572 -0.638) 2.946 3.631 ( 1.679 1.293 0.284) 2.138 4.014 ( 0.211 6.511 1.914) 6.789 4.201 ( -4.928 3.174 -3.275) 6.715 4.491 ( -0.954 4.034 3.785) 5.613 4.614 ( 0.985 1.244 1.705) 2.329 4.695 ( 1.643 2.703 -0.047) 3.163 4.887 ( 0.257 0.689 2.100) 2.225 4.982 ( -1.317 1.412 -1.447) 2.413 5.212 ( -0.858 -0.136 -0.532) 1.018 5.254 ( -0.429 2.223 -2.623) 3.465 5.558 ( -0.278 2.066 -2.192) 3.025 5.720 ( -0.077 -2.105 -0.244) 2.121 5.767 ( -2.316 -1.545 1.450) 3.140 5.819 ( -2.696 -0.575 3.097) 4.146 5.941 ( -4.470 1.687 1.337) 4.961 6.234 ( 4.062 -0.047 0.279) 4.072 6.421 ( 2.574 1.338 -0.436) 2.934 6.627 ( -2.511 5.692 -3.296) 7.041 6.999 ( 0.230 3.316 4.664) 5.728 7.315 ( -6.192 6.169 -9.233) 12.714 7.681 ( -2.464 4.196 -1.894) 5.221 8.069 ( 0.492 -4.308 1.387) 4.553 8.321 ( 1.959 -7.364 4.814) 9.013 8.388 ( -0.303 -1.104 1.584) 1.954 8.454 ( -0.435 0.043 -0.687) 0.814 8.715 ( -0.308 -15.108 0.503) 15.119 8.747 ( -1.044 -12.505 -1.389) 12.626 9.292 ( 3.063 0.073 0.254) 3.075 9.453 ( 0.630 2.255 -1.143) 2.606 9.590 ( -0.228 1.542 2.787) 3.193 9.828 ( -4.605 1.164 3.933) 6.167 10.001 ( -7.897 1.122 -0.625) 8.001 10.233 ( -0.719 -3.262 -3.215) 4.636 10.394 ( -6.565 -0.746 0.850) 6.661 10.482 ( 1.080 -5.068 -1.596) 5.422 10.575 ( -1.679 -2.505 -2.667) 4.026 10.811 ( -2.076 4.246 -2.432) 5.315 10.831 ( 1.887 1.561 0.942) 2.624 11.249 ( 2.479 -3.651 0.573) 4.450 11.826 ( 2.411 11.716 -2.566) 12.234 12.208 ( 7.542 6.795 7.571) 12.664 12.358 ( 1.539 -0.622 -0.695) 1.800 12.492 ( 7.849 -1.405 2.261) 8.288 12.919 ( -4.501 -1.221 0.743) 4.723 13.011 ( -2.946 -1.054 0.216) 3.136 13.541 ( -0.893 -0.536 1.022) 1.459 13.605 ( -0.103 -1.728 -0.125) 1.736 13.888 ( 1.695 -0.468 -1.235) 2.149 13.925 ( 2.969 -3.321 1.974) 4.872 14.227 ( -0.574 -7.754 -0.560) 7.795 14.572 ( 4.156 -11.206 2.312) 12.174 14.859 ( -1.370 0.625 -15.385) 15.458 14.944 ( 4.842 -0.188 -1.912) 5.209 16.178 ( -2.100 16.528 1.618) 16.740 16.343 ( -0.981 14.272 7.230) 16.029 17.877 ( -0.981 -0.759 -0.172) 1.252 17.918 ( -0.429 0.311 0.351) 0.635 ======================= Grid point 39 (28/168) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 3.569 3.579 0.666) 5.098 1.683 ( 8.236 -2.299 2.596) 8.936 1.779 ( 2.648 -1.287 3.144) 4.307 1.868 ( 9.125 -3.095 4.212) 10.516 1.972 ( 5.852 -3.789 -3.044) 7.608 2.161 ( -0.872 -3.600 0.927) 3.818 2.196 ( -2.604 -2.212 4.320) 5.507 2.286 ( -4.871 -0.009 -0.613) 4.909 2.507 ( 3.068 -8.490 6.728) 11.258 2.720 ( -1.146 2.913 -5.008) 5.905 2.945 ( -2.647 -11.483 -7.100) 13.758 3.141 ( 0.100 0.982 1.101) 1.478 3.213 ( -2.451 3.671 0.509) 4.443 3.290 ( -2.797 0.423 -5.528) 6.210 3.540 ( 2.965 -1.033 -2.637) 4.100 3.634 ( 2.105 1.048 5.635) 6.106 3.915 ( -1.657 4.077 -2.457) 5.040 4.139 ( -2.629 -0.388 -0.654) 2.736 4.434 ( -0.526 2.919 2.631) 3.964 4.590 ( 0.850 3.005 -0.087) 3.125 4.622 ( -2.063 5.164 -0.940) 5.640 4.892 ( 1.622 1.364 1.232) 2.452 4.953 ( -0.008 -0.640 -1.824) 1.933 5.170 ( -0.719 4.761 3.175) 5.768 5.230 ( 0.291 -0.394 -3.893) 3.923 5.498 ( 1.355 3.425 -1.137) 3.855 5.693 ( 1.243 4.870 -0.458) 5.047 5.808 ( -0.337 -0.189 0.651) 0.757 5.823 ( -4.300 -4.797 2.732) 6.998 5.926 ( -4.495 -1.768 -0.175) 4.833 6.292 ( 4.587 -2.505 0.612) 5.262 6.437 ( 2.343 0.710 0.559) 2.511 6.538 ( 1.568 2.268 0.458) 2.795 6.977 ( 0.764 2.451 5.455) 6.029 7.153 ( -5.161 2.644 -7.687) 9.629 7.583 ( -2.803 3.596 -2.245) 5.082 8.105 ( -0.324 -0.234 -0.561) 0.689 8.395 ( -0.876 0.120 0.949) 1.297 8.449 ( -0.175 0.048 -0.451) 0.486 8.468 ( 2.146 -5.483 3.349) 6.774 8.944 ( -0.257 -13.542 -0.656) 13.561 9.003 ( 1.000 -15.290 0.715) 15.340 9.300 ( 0.651 0.892 -0.002) 1.104 9.414 ( 0.044 2.053 -0.356) 2.084 9.581 ( 0.031 0.753 0.685) 1.018 9.791 ( -2.861 1.264 3.097) 4.402 9.950 ( -6.282 -1.575 1.239) 6.594 10.242 ( -0.050 0.453 -1.855) 1.911 10.394 ( -4.171 -3.820 0.468) 5.676 10.547 ( 2.639 -2.758 -6.323) 7.386 10.630 ( 0.455 -3.583 2.617) 4.460 10.725 ( -2.437 1.503 -1.928) 3.452 10.813 ( 0.103 1.805 0.573) 1.897 11.318 ( 1.323 -2.005 0.990) 2.598 11.627 ( 0.559 11.136 -2.927) 11.527 12.153 ( 4.716 8.571 5.736) 11.340 12.375 ( 0.788 -0.620 -0.728) 1.239 12.579 ( 6.450 -1.030 1.606) 6.726 12.916 ( -4.060 -2.165 0.266) 4.609 13.001 ( -2.441 -0.477 -0.216) 2.496 13.557 ( -0.197 -1.168 1.318) 1.772 13.632 ( -0.280 -1.969 -1.030) 2.239 13.895 ( 1.599 0.429 -1.300) 2.105 14.008 ( 1.356 -2.944 1.355) 3.513 14.344 ( -0.861 -6.118 0.990) 6.257 14.598 ( -4.104 1.988 -8.512) 9.656 14.983 ( 2.737 -4.480 0.801) 5.311 15.002 ( 7.012 -12.993 -3.073) 15.080 15.871 ( -0.965 18.921 1.136) 18.980 16.087 ( -0.896 18.242 4.833) 18.893 17.885 ( -0.538 -1.000 0.040) 1.136 17.911 ( -0.332 0.203 0.142) 0.414 ======================= Grid point 40 (29/168) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.010 2.800 -0.079) 2.978 1.747 ( 3.793 1.104 0.133) 3.953 1.854 ( 0.214 -3.888 4.131) 5.677 1.959 ( 4.795 -0.442 1.405) 5.016 2.056 ( 0.848 -3.559 -3.429) 5.015 2.179 ( 0.729 1.192 4.708) 4.911 2.246 ( -2.031 -1.244 -0.864) 2.534 2.274 ( 2.300 0.371 5.226) 5.722 2.609 ( -2.481 -0.178 -3.820) 4.558 2.733 ( -0.074 -7.761 -0.699) 7.793 3.029 ( -1.276 0.814 -1.124) 1.886 3.089 ( -2.674 6.186 -1.143) 6.836 3.170 ( 1.592 -6.375 -3.022) 7.233 3.237 ( -3.458 -0.108 -0.572) 3.506 3.549 ( 2.831 3.031 0.018) 4.147 3.673 ( 1.184 -0.984 3.034) 3.402 3.859 ( -1.587 -1.599 -2.555) 3.406 4.151 ( -0.376 -2.052 0.340) 2.114 4.421 ( 0.959 2.885 2.656) 4.037 4.482 ( -2.178 2.511 -4.493) 5.589 4.557 ( -1.236 2.512 1.249) 3.065 4.863 ( 1.339 3.144 -0.697) 3.488 4.989 ( -0.040 -2.487 0.020) 2.487 5.094 ( 0.703 5.664 2.243) 6.133 5.199 ( -1.524 0.703 -1.950) 2.573 5.488 ( 3.649 0.042 0.765) 3.729 5.622 ( -0.243 2.978 -1.187) 3.215 5.797 ( -1.086 1.277 -0.924) 1.915 5.865 ( -2.587 -1.583 3.716) 4.796 5.904 ( -1.986 -0.157 -2.837) 3.467 6.353 ( 1.518 2.368 0.909) 2.956 6.411 ( 0.156 -0.849 -1.499) 1.730 6.603 ( 5.183 -2.846 4.398) 7.369 6.985 ( -0.030 -0.807 3.376) 3.471 7.079 ( -1.567 -0.019 -3.449) 3.788 7.500 ( -2.498 2.217 -2.363) 4.091 8.090 ( -0.412 0.510 -1.125) 1.302 8.386 ( -0.622 0.398 0.203) 0.766 8.443 ( -0.083 0.331 -0.028) 0.342 8.565 ( 1.068 -3.178 1.674) 3.748 9.162 ( 2.833 -10.608 -0.281) 10.984 9.241 ( 2.087 -10.238 0.335) 10.454 9.277 ( -2.747 0.027 -0.267) 2.760 9.382 ( -1.071 1.268 0.141) 1.666 9.563 ( -0.773 1.055 -0.430) 1.377 9.778 ( -0.436 0.214 1.972) 2.031 9.962 ( -3.324 -3.335 1.429) 4.921 10.226 ( -0.424 0.054 0.136) 0.449 10.439 ( -1.074 -3.355 -0.040) 3.523 10.570 ( 6.206 0.503 -6.310) 8.865 10.634 ( -5.750 0.316 2.839) 6.421 10.752 ( 3.178 -0.455 -0.343) 3.228 10.803 ( -2.638 -3.867 0.203) 4.686 11.340 ( 0.311 0.772 0.792) 1.149 11.447 ( -0.680 8.174 -2.039) 8.452 12.065 ( 2.007 7.030 2.830) 7.839 12.382 ( 0.432 0.125 -0.422) 0.617 12.639 ( 3.734 -0.392 1.081) 3.907 12.931 ( -2.622 -2.667 -0.067) 3.741 12.991 ( -1.341 -0.315 -0.210) 1.393 13.586 ( 0.396 -1.334 1.123) 1.788 13.658 ( -0.471 -2.128 -1.053) 2.421 13.887 ( 1.264 1.348 -0.679) 1.969 14.037 ( -0.949 0.293 -0.205) 1.014 14.424 ( 0.914 -2.599 1.979) 3.392 14.516 ( -2.967 0.265 -4.557) 5.444 15.067 ( 0.862 -6.396 -1.945) 6.740 15.309 ( 7.708 -13.966 -0.877) 15.976 15.549 ( -1.144 18.036 0.994) 18.099 15.771 ( -3.139 19.122 3.559) 19.702 17.900 ( -0.177 -0.965 0.064) 0.983 17.910 ( -0.104 -0.259 0.049) 0.283 ======================= Grid point 41 (30/168) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.000 1.182 -0.000) 1.182 1.720 ( -0.000 3.882 -0.000) 3.882 1.912 ( 0.000 -0.967 0.000) 0.967 1.958 ( -0.000 5.043 -0.000) 5.043 2.082 ( -0.000 0.250 -0.000) 0.250 2.184 ( -0.000 0.365 -0.000) 0.365 2.206 ( -0.000 2.161 -0.000) 2.161 2.319 ( 0.000 -2.089 0.000) 2.089 2.571 ( 0.000 -1.249 0.000) 1.249 2.851 ( 0.000 -4.939 0.000) 4.939 2.928 ( -0.000 7.669 -0.000) 7.669 3.028 ( 0.000 -0.311 0.000) 0.311 3.246 ( 0.000 -2.410 0.000) 2.410 3.276 ( 0.000 -3.593 0.000) 3.593 3.458 ( -0.000 7.935 -0.000) 7.935 3.706 ( 0.000 -1.452 0.000) 1.452 3.925 ( 0.000 -6.552 0.000) 6.552 4.195 ( 0.000 -2.958 0.000) 2.958 4.304 ( -0.000 7.147 -0.000) 7.147 4.509 ( -0.000 2.477 -0.000) 2.477 4.543 ( 0.000 -6.673 0.000) 6.673 4.809 ( -0.000 3.538 -0.000) 3.538 4.999 ( -0.000 0.648 -0.000) 0.648 5.002 ( -0.000 5.613 -0.000) 5.613 5.234 ( 0.000 -5.749 0.000) 5.749 5.527 ( 0.000 -1.287 0.000) 1.287 5.577 ( -0.000 1.335 -0.000) 1.335 5.756 ( -0.000 1.648 -0.000) 1.648 5.882 ( -0.000 0.264 -0.000) 0.264 5.886 ( 0.000 -0.374 0.000) 0.374 6.260 ( -0.000 7.131 -0.000) 7.131 6.445 ( 0.000 -1.479 0.000) 1.479 6.687 ( 0.000 -2.430 0.000) 2.430 7.040 ( 0.000 -4.440 0.000) 4.440 7.076 ( 0.000 -0.341 0.000) 0.341 7.461 ( -0.000 0.132 -0.000) 0.132 8.085 ( 0.000 -0.588 0.000) 0.588 8.376 ( -0.000 0.577 -0.000) 0.577 8.437 ( -0.000 0.243 -0.000) 0.243 8.613 ( 0.000 -1.732 0.000) 1.732 9.225 ( -0.000 2.104 -0.000) 2.104 9.354 ( -0.000 0.875 -0.000) 0.875 9.361 ( 0.000 -9.211 0.000) 9.211 9.374 ( 0.000 -3.063 0.000) 3.063 9.536 ( -0.000 1.248 -0.000) 1.248 9.783 ( -0.000 0.057 -0.000) 0.057 10.019 ( 0.000 -4.676 0.000) 4.676 10.247 ( 0.000 -2.613 0.000) 2.613 10.478 ( 0.000 -1.459 0.000) 1.459 10.559 ( -0.000 2.178 -0.000) 2.178 10.619 ( 0.000 -0.987 0.000) 0.987 10.748 ( -0.000 0.588 -0.000) 0.588 10.884 ( 0.000 -4.653 0.000) 4.653 11.304 ( -0.000 3.818 -0.000) 3.818 11.340 ( -0.000 3.088 -0.000) 3.088 11.984 ( -0.000 4.123 -0.000) 4.123 12.372 ( -0.000 1.176 -0.000) 1.176 12.657 ( -0.000 0.291 -0.000) 0.291 12.964 ( 0.000 -2.318 0.000) 2.318 12.992 ( 0.000 -0.627 0.000) 0.627 13.610 ( 0.000 -0.763 0.000) 0.763 13.690 ( 0.000 -2.195 0.000) 2.195 13.859 ( -0.000 2.316 -0.000) 2.316 14.000 ( -0.000 2.646 -0.000) 2.646 14.463 ( -0.000 0.604 -0.000) 0.604 14.481 ( -0.000 0.430 -0.000) 0.430 15.131 ( -0.000 4.859 -0.000) 4.859 15.302 ( -0.000 8.341 -0.000) 8.341 15.471 ( -0.000 9.187 -0.000) 9.187 15.581 ( 0.000 -12.932 0.000) 12.932 17.914 ( 0.000 -0.652 0.000) 0.652 17.919 ( 0.000 -0.817 0.000) 0.817 ======================= Grid point 48 (31/168) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 8.399 0.000 5.177) 9.866 1.482 ( 15.320 0.000 6.343) 16.582 1.641 ( 3.781 0.000 -5.761) 6.891 1.704 ( 12.335 0.000 6.782) 14.077 1.719 ( 5.439 0.000 1.618) 5.674 2.008 ( -4.340 -0.000 -3.760) 5.742 2.200 ( -6.129 -0.000 0.146) 6.130 2.200 ( 13.606 0.000 4.750) 14.411 2.339 ( -5.190 -0.000 -7.617) 9.217 2.664 ( -4.388 -0.000 -7.647) 8.816 3.033 ( -6.279 -0.000 6.872) 9.309 3.089 ( 8.956 0.000 3.494) 9.614 3.153 ( -0.346 -0.000 -3.380) 3.398 3.277 ( 0.746 0.000 1.257) 1.462 3.510 ( 2.499 0.000 -1.676) 3.009 3.546 ( 0.425 0.000 -5.151) 5.168 4.145 ( -6.646 -0.000 3.856) 7.684 4.418 ( 0.147 0.000 -0.780) 0.793 4.528 ( 7.606 0.000 4.197) 8.686 4.566 ( -2.715 -0.000 2.082) 3.422 4.772 ( 4.131 0.000 5.499) 6.878 4.919 ( 0.471 0.000 -1.339) 1.419 5.003 ( -4.292 -0.000 -0.463) 4.317 5.171 ( -1.911 -0.000 0.596) 2.002 5.317 ( -2.150 -0.000 -5.067) 5.504 5.509 ( -4.001 -0.000 -1.347) 4.222 5.621 ( -3.788 -0.000 -3.835) 5.390 5.720 ( 1.944 0.000 0.918) 2.150 5.883 ( -2.008 -0.000 1.916) 2.775 6.038 ( -3.622 -0.000 3.106) 4.772 6.247 ( 4.065 0.000 3.002) 5.053 6.417 ( -2.140 -0.000 -3.125) 3.788 6.855 ( -6.599 -0.000 -3.323) 7.389 7.018 ( 0.417 0.000 0.397) 0.576 7.493 ( -6.200 -0.000 -10.040) 11.800 7.756 ( -3.156 -0.000 -3.597) 4.785 7.946 ( 2.931 0.000 5.325) 6.078 8.119 ( 0.923 0.000 5.576) 5.651 8.336 ( -0.040 -0.000 -1.704) 1.704 8.371 ( 0.845 0.000 1.682) 1.882 8.465 ( -1.218 -0.000 0.521) 1.325 8.550 ( 1.086 0.000 -0.275) 1.120 9.296 ( 5.272 0.000 0.474) 5.293 9.502 ( 1.486 0.000 -1.132) 1.868 9.647 ( -2.152 -0.000 3.700) 4.280 9.833 ( -2.697 -0.000 2.730) 3.837 10.073 ( -11.659 -0.000 -4.426) 12.470 10.101 ( 0.338 0.000 -1.290) 1.333 10.377 ( -0.248 -0.000 1.515) 1.535 10.398 ( -6.935 -0.000 0.826) 6.984 10.529 ( -3.506 -0.000 -4.219) 5.486 10.864 ( 3.286 0.000 2.734) 4.275 10.905 ( -2.154 -0.000 -5.539) 5.943 11.157 ( 2.956 0.000 0.617) 3.020 12.142 ( 3.567 0.000 1.375) 3.822 12.220 ( 3.592 0.000 -0.056) 3.593 12.382 ( 8.832 0.000 -2.884) 9.291 12.490 ( 8.666 0.000 11.157) 14.127 12.906 ( -7.390 -0.000 2.447) 7.784 12.976 ( -0.786 -0.000 0.478) 0.920 13.543 ( 0.140 0.000 0.309) 0.339 13.570 ( -1.194 -0.000 2.581) 2.844 13.856 ( 3.414 0.000 2.431) 4.192 13.878 ( 1.621 0.000 0.054) 1.622 14.052 ( 0.777 0.000 -4.230) 4.301 14.305 ( 5.590 0.000 1.994) 5.935 14.914 ( -5.025 -0.000 -20.134) 20.752 14.948 ( 5.874 0.000 -0.652) 5.910 16.496 ( -4.597 -0.000 1.004) 4.706 16.605 ( -1.202 -0.000 8.926) 9.007 17.862 ( -0.960 -0.000 -0.359) 1.025 17.924 ( -0.232 -0.000 0.562) 0.608 ======================= Grid point 49 (32/168) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.604 0.037 2.904) 6.312 1.653 ( 8.440 -3.685 4.809) 10.390 1.675 ( 10.227 -1.882 -2.057) 10.600 1.773 ( 4.100 -0.955 5.599) 7.005 1.842 ( 6.851 -2.529 2.679) 7.778 1.979 ( -3.366 -2.947 -4.429) 6.296 2.148 ( -6.048 -0.824 -1.692) 6.334 2.273 ( -3.630 -0.203 -3.747) 5.221 2.343 ( 9.249 -2.761 5.938) 11.332 2.627 ( -4.146 -3.555 -6.800) 8.722 2.951 ( -4.109 6.753 0.026) 7.905 3.118 ( -0.113 -0.366 2.406) 2.437 3.194 ( 2.137 -2.909 -1.688) 3.985 3.291 ( 0.989 -0.935 -3.514) 3.768 3.488 ( 1.040 0.812 0.446) 1.392 3.615 ( 2.045 -3.969 0.658) 4.513 4.106 ( -3.260 1.588 3.676) 5.164 4.292 ( 0.598 10.993 -1.653) 11.133 4.541 ( -2.169 1.822 1.450) 3.182 4.637 ( 3.844 -1.462 2.234) 4.680 4.786 ( 3.070 4.149 2.674) 5.813 4.907 ( -0.695 0.610 2.218) 2.403 4.977 ( -1.483 -0.302 -1.682) 2.263 5.177 ( -1.479 -1.146 -0.256) 1.889 5.263 ( -1.168 1.341 -3.141) 3.609 5.521 ( -2.112 -3.969 -1.410) 4.712 5.609 ( -3.202 -4.070 -1.831) 5.493 5.761 ( 1.191 -2.492 0.587) 2.824 5.845 ( -1.343 3.261 2.307) 4.214 5.978 ( -3.775 4.141 1.245) 5.740 6.283 ( 4.893 1.640 0.901) 5.239 6.412 ( -1.294 -1.932 -0.063) 2.326 6.704 ( -3.822 7.180 -3.066) 8.693 7.044 ( -0.285 -0.532 2.087) 2.173 7.342 ( -4.709 6.608 -8.692) 11.890 7.702 ( -2.482 2.265 -2.689) 4.304 8.017 ( 1.584 -3.729 3.188) 5.155 8.218 ( 0.838 -7.294 3.506) 8.136 8.380 ( 0.579 -1.250 2.343) 2.718 8.455 ( -0.578 0.077 0.493) 0.764 8.462 ( -0.056 -12.072 -1.851) 12.213 8.593 ( -0.039 -4.663 -0.546) 4.695 9.336 ( 5.048 0.870 0.731) 5.174 9.492 ( 0.896 1.630 -0.580) 1.948 9.630 ( -0.676 1.860 2.250) 2.996 9.827 ( -3.051 0.267 3.640) 4.757 9.947 ( -8.572 1.277 -3.893) 9.500 10.150 ( 1.389 -4.504 -1.957) 5.104 10.345 ( -6.474 0.394 0.786) 6.533 10.412 ( 0.424 -3.177 0.272) 3.217 10.503 ( -2.227 -1.845 -2.838) 4.052 10.843 ( -1.525 2.804 -3.218) 4.532 10.887 ( 2.164 1.347 1.951) 3.210 11.209 ( 1.956 -3.043 0.596) 3.667 12.039 ( 2.370 11.099 -0.630) 11.367 12.297 ( 1.831 -2.747 1.072) 3.471 12.426 ( 7.455 2.511 -0.287) 7.872 12.576 ( 7.422 2.261 6.982) 10.437 12.866 ( -6.248 -0.730 1.758) 6.532 12.979 ( -1.183 -0.681 0.081) 1.368 13.542 ( -0.014 0.556 1.713) 1.801 13.582 ( -0.366 -0.945 0.528) 1.143 13.893 ( 1.666 -0.317 0.316) 1.725 13.908 ( 2.263 -1.951 1.501) 3.343 14.094 ( 0.055 -5.983 -2.374) 6.437 14.438 ( 4.295 -9.408 2.525) 10.646 14.764 ( -6.048 1.123 -16.816) 17.906 14.979 ( 3.943 0.580 -0.590) 4.029 16.388 ( -2.686 9.242 0.817) 9.659 16.568 ( 0.215 8.239 6.221) 10.327 17.858 ( -0.690 -0.483 -0.205) 0.867 17.922 ( -0.234 0.293 0.351) 0.514 ======================= Grid point 50 (33/168) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 2.592 2.474 0.711) 3.653 1.759 ( 2.098 -0.367 6.665) 6.997 1.769 ( 8.501 -1.211 -3.532) 9.284 1.894 ( 5.268 -3.483 4.487) 7.747 1.936 ( 2.317 -4.099 0.526) 4.738 2.010 ( -4.346 -7.776 -3.649) 9.626 2.147 ( -1.866 -2.823 0.366) 3.404 2.239 ( -3.026 -0.834 -1.471) 3.467 2.499 ( 6.544 -3.190 7.793) 10.664 2.667 ( -4.299 -9.851 -7.603) 13.165 2.801 ( -1.169 6.413 -1.458) 6.680 3.154 ( 0.560 -1.509 3.424) 3.783 3.219 ( -1.789 -0.433 -0.577) 1.929 3.271 ( -0.191 1.551 -5.278) 5.505 3.506 ( 0.422 -2.058 -0.427) 2.144 3.674 ( 1.121 -0.873 1.800) 2.293 4.049 ( 0.687 10.322 2.859) 10.733 4.118 ( -1.938 2.083 -2.769) 3.970 4.489 ( -1.082 3.158 0.792) 3.430 4.644 ( 0.823 2.549 0.647) 2.755 4.721 ( 0.960 6.299 0.408) 6.385 4.910 ( -0.614 -0.331 2.408) 2.507 4.961 ( 0.849 1.376 -1.858) 2.463 5.183 ( -1.057 -1.833 -1.091) 2.381 5.229 ( -0.394 1.419 -0.785) 1.669 5.541 ( 0.121 0.941 -1.108) 1.459 5.692 ( -1.757 -7.290 0.228) 7.503 5.791 ( 1.713 2.363 -0.023) 2.919 5.819 ( 0.163 0.060 2.881) 2.887 5.881 ( -3.738 2.289 -0.248) 4.390 6.299 ( 3.955 -0.137 -0.385) 3.976 6.430 ( -2.337 -0.981 0.086) 2.536 6.594 ( 0.785 2.832 -0.029) 2.939 7.047 ( 0.445 1.682 4.567) 4.887 7.152 ( -3.508 6.435 -7.322) 10.360 7.620 ( -1.651 3.954 -1.684) 4.604 8.095 ( 0.547 -2.155 1.096) 2.479 8.372 ( 0.717 -7.746 1.270) 7.882 8.397 ( -0.325 -0.105 1.170) 1.218 8.452 ( 0.346 -0.007 0.035) 0.348 8.713 ( -0.302 -13.087 0.038) 13.090 8.727 ( -0.175 -15.475 -0.585) 15.487 9.340 ( 1.840 2.230 0.249) 2.902 9.461 ( 0.809 2.629 0.066) 2.752 9.606 ( 0.117 1.536 0.680) 1.683 9.806 ( -1.699 1.343 1.823) 2.831 9.881 ( -4.766 -1.280 -0.922) 5.020 10.235 ( 3.855 -2.923 -2.212) 5.320 10.300 ( -6.254 -1.572 1.332) 6.585 10.475 ( 0.322 -3.825 -1.962) 4.310 10.546 ( -0.478 -5.528 0.248) 5.554 10.763 ( -0.938 4.143 -1.390) 4.470 10.870 ( 0.978 2.820 0.885) 3.113 11.281 ( 0.843 -3.525 0.485) 3.657 11.838 ( 1.049 13.274 -0.940) 13.348 12.332 ( 1.852 2.209 1.590) 3.292 12.388 ( 1.995 4.920 0.950) 5.393 12.623 ( 5.073 0.251 1.562) 5.314 12.852 ( -3.895 -1.770 0.655) 4.328 12.978 ( -1.032 -0.431 -0.192) 1.134 13.547 ( -0.016 -0.404 1.368) 1.426 13.597 ( -0.219 -1.323 -0.770) 1.546 13.908 ( 1.265 0.080 -0.048) 1.268 13.970 ( 0.885 -2.999 0.744) 3.214 14.212 ( -0.387 -8.276 -0.406) 8.295 14.576 ( -1.692 1.383 -3.309) 3.965 14.757 ( 0.915 -15.096 -3.393) 15.500 14.988 ( 1.863 0.458 -0.546) 1.995 16.166 ( -0.808 15.496 0.637) 15.530 16.392 ( 0.300 15.054 2.837) 15.322 17.865 ( -0.335 -0.902 -0.037) 0.963 17.915 ( -0.176 0.435 0.129) 0.487 ======================= Grid point 51 (34/168) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.000 4.611 -0.000) 4.611 1.778 ( -0.000 0.906 -0.000) 0.906 1.814 ( 0.000 -2.377 0.000) 2.377 1.963 ( 0.000 -1.712 0.000) 1.712 1.999 ( 0.000 -2.434 0.000) 2.434 2.147 ( 0.000 -8.524 0.000) 8.524 2.185 ( 0.000 -1.806 0.000) 1.806 2.263 ( 0.000 -3.343 0.000) 3.343 2.608 ( 0.000 -5.405 0.000) 5.405 2.658 ( -0.000 5.361 -0.000) 5.361 2.879 ( 0.000 -13.312 0.000) 13.312 3.175 ( -0.000 2.880 -0.000) 2.880 3.184 ( -0.000 5.749 -0.000) 5.749 3.206 ( 0.000 -1.214 0.000) 1.214 3.551 ( 0.000 -2.645 0.000) 2.645 3.689 ( -0.000 0.250 -0.000) 0.250 3.883 ( -0.000 6.715 -0.000) 6.715 4.118 ( 0.000 -1.465 0.000) 1.465 4.441 ( -0.000 1.614 -0.000) 1.614 4.584 ( -0.000 6.940 -0.000) 6.940 4.610 ( -0.000 4.584 -0.000) 4.584 4.920 ( -0.000 2.973 -0.000) 2.973 4.940 ( 0.000 -2.565 0.000) 2.565 5.185 ( -0.000 3.641 -0.000) 3.641 5.203 ( 0.000 -0.171 0.000) 0.171 5.504 ( -0.000 1.623 -0.000) 1.623 5.703 ( -0.000 6.196 -0.000) 6.196 5.798 ( 0.000 -5.111 0.000) 5.111 5.827 ( -0.000 1.225 -0.000) 1.225 5.874 ( 0.000 -1.910 0.000) 1.910 6.350 ( 0.000 -3.286 0.000) 3.286 6.412 ( -0.000 1.512 -0.000) 1.512 6.598 ( 0.000 -1.309 0.000) 1.309 7.008 ( -0.000 3.919 -0.000) 3.919 7.066 ( 0.000 -0.064 0.000) 0.064 7.539 ( -0.000 3.977 -0.000) 3.977 8.104 ( -0.000 0.952 -0.000) 0.952 8.392 ( -0.000 0.448 -0.000) 0.448 8.445 ( 0.000 -0.204 0.000) 0.204 8.502 ( 0.000 -5.261 0.000) 5.261 8.940 ( 0.000 -14.530 0.000) 14.530 9.015 ( 0.000 -16.248 0.000) 16.248 9.303 ( -0.000 2.540 -0.000) 2.540 9.417 ( -0.000 2.736 -0.000) 2.736 9.583 ( -0.000 1.402 -0.000) 1.402 9.785 ( -0.000 0.645 -0.000) 0.645 9.899 ( 0.000 -2.804 0.000) 2.804 10.238 ( -0.000 1.344 -0.000) 1.344 10.358 ( 0.000 -5.309 0.000) 5.309 10.533 ( 0.000 -3.638 0.000) 3.638 10.663 ( 0.000 -7.482 0.000) 7.482 10.680 ( -0.000 4.504 -0.000) 4.504 10.821 ( -0.000 3.365 -0.000) 3.365 11.334 ( 0.000 -1.870 0.000) 1.870 11.618 ( -0.000 12.261 -0.000) 12.261 12.221 ( -0.000 9.264 -0.000) 9.264 12.379 ( 0.000 -0.532 0.000) 0.532 12.650 ( 0.000 -0.417 0.000) 0.417 12.875 ( 0.000 -2.498 0.000) 2.498 12.980 ( 0.000 -0.341 0.000) 0.341 13.567 ( 0.000 -1.352 0.000) 1.352 13.620 ( 0.000 -1.764 0.000) 1.764 13.907 ( -0.000 0.608 -0.000) 0.608 14.020 ( 0.000 -1.986 0.000) 1.986 14.344 ( 0.000 -7.070 0.000) 7.070 14.513 ( -0.000 2.178 -0.000) 2.178 15.001 ( 0.000 -1.743 0.000) 1.743 15.053 ( 0.000 -17.683 0.000) 17.683 15.870 ( -0.000 18.938 -0.000) 18.938 16.105 ( -0.000 19.272 -0.000) 19.272 17.882 ( 0.000 -1.109 0.000) 1.109 17.909 ( -0.000 0.197 -0.000) 0.197 ======================= Grid point 61 (35/168) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 3.104 0.000 1.478) 3.438 1.630 ( 0.573 0.000 -1.762) 1.852 1.743 ( 9.352 0.000 4.295) 10.291 1.830 ( 3.532 0.000 2.241) 4.183 1.881 ( 2.321 0.000 -0.443) 2.363 1.925 ( -0.512 -0.000 0.989) 1.113 2.090 ( -3.756 -0.000 -2.039) 4.274 2.232 ( -2.303 -0.000 -2.485) 3.388 2.353 ( 1.255 0.000 -0.394) 1.315 2.589 ( 0.918 0.000 0.112) 0.925 2.983 ( -4.028 -0.000 1.085) 4.172 3.117 ( 0.236 0.000 -2.691) 2.701 3.181 ( 1.589 0.000 1.093) 1.928 3.268 ( 0.583 0.000 -3.522) 3.570 3.525 ( 0.183 0.000 -0.925) 0.943 3.584 ( 2.381 0.000 3.186) 3.978 4.103 ( -2.003 -0.000 1.535) 2.524 4.416 ( 0.021 0.000 -0.059) 0.063 4.544 ( -1.015 -0.000 0.409) 1.095 4.662 ( 4.471 0.000 1.796) 4.819 4.871 ( 1.255 0.000 4.670) 4.836 4.914 ( 0.124 0.000 -0.522) 0.537 4.933 ( -2.302 -0.000 -2.272) 3.235 5.175 ( -0.103 -0.000 2.700) 2.702 5.251 ( -0.638 -0.000 -3.809) 3.862 5.447 ( -1.923 -0.000 -0.708) 2.049 5.539 ( -2.265 -0.000 -1.992) 3.016 5.746 ( 0.543 0.000 0.475) 0.722 5.874 ( -0.710 -0.000 0.682) 0.984 5.996 ( -2.305 -0.000 0.712) 2.412 6.359 ( 4.059 0.000 2.621) 4.832 6.370 ( -0.948 -0.000 -1.194) 1.524 6.729 ( -4.611 -0.000 -2.229) 5.121 7.027 ( 0.302 0.000 0.124) 0.326 7.349 ( -2.310 -0.000 -4.693) 5.230 7.699 ( -1.159 -0.000 -1.247) 1.702 8.009 ( 0.893 0.000 1.754) 1.968 8.165 ( 0.380 0.000 1.869) 1.907 8.323 ( -0.038 -0.000 -0.676) 0.677 8.395 ( 0.212 0.000 1.210) 1.228 8.457 ( -0.367 -0.000 0.262) 0.451 8.560 ( 0.523 0.000 -0.418) 0.669 9.391 ( 4.458 0.000 0.788) 4.527 9.508 ( 0.323 0.000 -0.343) 0.471 9.651 ( -0.565 -0.000 1.249) 1.370 9.826 ( -3.292 -0.000 5.592) 6.489 9.877 ( -4.299 -0.000 -6.979) 8.197 10.115 ( 1.702 0.000 -0.464) 1.764 10.309 ( -4.123 -0.000 0.354) 4.138 10.389 ( 0.132 0.000 0.640) 0.653 10.462 ( -1.196 -0.000 -1.773) 2.139 10.846 ( -0.818 -0.000 -1.789) 1.967 10.919 ( 1.185 0.000 1.082) 1.605 11.196 ( 1.102 0.000 0.401) 1.173 12.181 ( 0.952 0.000 0.114) 0.958 12.253 ( 0.798 0.000 0.189) 0.820 12.490 ( 6.113 0.000 -1.896) 6.400 12.690 ( 4.142 0.000 5.859) 7.175 12.820 ( -4.927 -0.000 1.495) 5.149 12.969 ( -0.346 -0.000 -0.076) 0.354 13.567 ( 0.849 0.000 1.738) 1.934 13.572 ( -0.485 -0.000 0.828) 0.959 13.898 ( 0.663 0.000 0.179) 0.687 13.912 ( 1.030 0.000 0.884) 1.357 14.036 ( 0.978 0.000 -1.408) 1.714 14.379 ( 1.983 0.000 0.735) 2.115 14.663 ( -4.719 -0.000 -10.494) 11.506 15.008 ( 2.102 0.000 -0.203) 2.111 16.450 ( -1.709 -0.000 0.253) 1.728 16.665 ( 0.367 0.000 3.492) 3.511 17.849 ( -0.350 -0.000 -0.127) 0.372 17.925 ( -0.099 -0.000 0.202) 0.225 ======================= Grid point 62 (36/168) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.000 0.514 -0.000) 0.514 1.686 ( 0.000 -5.820 0.000) 5.820 1.837 ( 0.000 -4.775 0.000) 4.775 1.875 ( 0.000 -3.205 0.000) 3.205 1.886 ( -0.000 3.211 -0.000) 3.211 1.900 ( 0.000 -0.825 0.000) 0.825 2.091 ( 0.000 -2.351 0.000) 2.351 2.217 ( 0.000 -0.067 0.000) 0.067 2.429 ( 0.000 -8.500 0.000) 8.500 2.576 ( -0.000 1.996 -0.000) 1.996 2.910 ( -0.000 6.112 -0.000) 6.112 3.128 ( 0.000 -1.883 0.000) 1.883 3.201 ( 0.000 -0.963 0.000) 0.963 3.267 ( 0.000 -0.359 0.000) 0.359 3.497 ( -0.000 1.088 -0.000) 1.088 3.647 ( 0.000 -3.177 0.000) 3.177 4.098 ( -0.000 0.008 -0.000) 0.008 4.291 ( -0.000 12.464 -0.000) 12.464 4.528 ( -0.000 1.667 -0.000) 1.667 4.685 ( -0.000 1.002 -0.000) 1.002 4.825 ( -0.000 4.921 -0.000) 4.921 4.913 ( -0.000 0.284 -0.000) 0.284 4.958 ( 0.000 -1.978 0.000) 1.978 5.163 ( -0.000 0.910 -0.000) 0.910 5.236 ( -0.000 0.243 -0.000) 0.243 5.497 ( 0.000 -4.930 0.000) 4.930 5.573 ( 0.000 -5.348 0.000) 5.348 5.773 ( 0.000 -2.334 0.000) 2.334 5.848 ( -0.000 2.172 -0.000) 2.172 5.950 ( -0.000 4.526 -0.000) 4.526 6.340 ( -0.000 2.180 -0.000) 2.180 6.396 ( 0.000 -1.356 0.000) 1.356 6.653 ( -0.000 4.282 -0.000) 4.282 7.054 ( 0.000 -1.664 0.000) 1.664 7.255 ( -0.000 7.597 -0.000) 7.597 7.668 ( -0.000 2.622 -0.000) 2.622 8.045 ( 0.000 -3.399 0.000) 3.399 8.242 ( 0.000 -7.326 0.000) 7.326 8.399 ( 0.000 -0.055 0.000) 0.055 8.450 ( 0.000 -13.468 0.000) 13.468 8.455 ( -0.000 0.106 -0.000) 0.106 8.589 ( 0.000 -3.897 0.000) 3.897 9.391 ( -0.000 2.209 -0.000) 2.209 9.499 ( -0.000 1.227 -0.000) 1.227 9.636 ( -0.000 1.592 -0.000) 1.592 9.827 ( -0.000 1.264 -0.000) 1.264 9.836 ( 0.000 -0.878 0.000) 0.878 10.166 ( 0.000 -4.715 0.000) 4.715 10.285 ( -0.000 0.932 -0.000) 0.932 10.416 ( 0.000 -2.675 0.000) 2.675 10.473 ( 0.000 -2.528 0.000) 2.528 10.815 ( -0.000 2.652 -0.000) 2.652 10.914 ( -0.000 1.487 -0.000) 1.487 11.228 ( 0.000 -2.923 0.000) 2.923 12.054 ( -0.000 11.336 -0.000) 11.336 12.312 ( 0.000 -3.051 0.000) 3.051 12.494 ( -0.000 2.794 -0.000) 2.794 12.684 ( -0.000 3.342 -0.000) 3.342 12.812 ( 0.000 -1.036 0.000) 1.036 12.969 ( 0.000 -0.221 0.000) 0.221 13.559 ( -0.000 1.211 -0.000) 1.211 13.578 ( 0.000 -0.658 0.000) 0.658 13.911 ( 0.000 -0.492 0.000) 0.492 13.933 ( 0.000 -1.857 0.000) 1.857 14.084 ( 0.000 -5.650 0.000) 5.650 14.499 ( 0.000 -12.049 0.000) 12.049 14.600 ( -0.000 1.899 -0.000) 1.899 15.008 ( -0.000 0.791 -0.000) 0.791 16.370 ( -0.000 8.612 -0.000) 8.612 16.603 ( -0.000 8.428 -0.000) 8.428 17.852 ( 0.000 -0.508 0.000) 0.508 17.922 ( -0.000 0.361 -0.000) 0.361 ======================= Grid point 125 (37/168) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 4.963 0.000 18.909) 19.549 0.497 ( 1.374 0.000 23.418) 23.458 0.822 ( 2.455 0.000 15.667) 15.858 0.824 ( 5.524 0.000 37.922) 38.323 1.268 ( -4.395 -0.000 -6.194) 7.595 1.438 ( -20.999 -0.000 -3.111) 21.229 1.906 ( 0.341 0.000 -17.884) 17.887 2.515 ( -3.165 -0.000 -7.791) 8.409 2.689 ( 9.756 0.000 13.033) 16.280 2.752 ( 4.617 0.000 -7.984) 9.223 2.835 ( 2.565 0.000 -3.689) 4.493 3.012 ( 3.221 0.000 1.587) 3.591 3.255 ( 1.218 0.000 7.602) 7.699 3.631 ( -6.559 -0.000 -7.492) 9.958 3.691 ( -4.799 -0.000 -4.793) 6.783 3.700 ( -3.244 -0.000 -14.157) 14.524 4.212 ( -0.578 -0.000 6.898) 6.922 4.353 ( 6.800 0.000 -0.991) 6.872 4.447 ( 4.045 0.000 2.915) 4.986 4.545 ( 0.936 0.000 3.221) 3.355 4.681 ( -0.775 -0.000 0.771) 1.093 4.886 ( 0.198 0.000 -0.332) 0.386 5.245 ( -1.055 -0.000 0.040) 1.055 5.272 ( 5.758 0.000 1.186) 5.879 5.305 ( -7.697 -0.000 -1.259) 7.799 5.442 ( -0.711 -0.000 -2.419) 2.521 5.692 ( -2.473 -0.000 4.985) 5.565 5.857 ( -0.511 -0.000 -1.853) 1.922 5.864 ( 1.011 0.000 0.506) 1.131 6.115 ( -11.189 -0.000 0.544) 11.202 6.406 ( -0.569 -0.000 0.810) 0.989 6.570 ( 0.307 0.000 -6.117) 6.125 7.063 ( 1.012 0.000 1.670) 1.953 7.144 ( 1.275 0.000 0.028) 1.276 7.554 ( 3.240 0.000 5.991) 6.811 7.941 ( 10.455 0.000 2.706) 10.800 7.950 ( -2.914 -0.000 -3.972) 4.927 8.177 ( -4.029 -0.000 -1.572) 4.325 8.315 ( 1.937 0.000 1.561) 2.488 8.338 ( 0.090 0.000 1.126) 1.130 8.500 ( -8.240 -0.000 0.800) 8.279 8.599 ( -0.182 -0.000 -2.094) 2.102 9.201 ( 10.880 0.000 0.362) 10.886 9.277 ( -0.105 -0.000 -1.302) 1.306 9.936 ( -4.371 -0.000 -1.205) 4.535 9.989 ( 1.589 0.000 -1.960) 2.523 10.335 ( -0.131 -0.000 0.553) 0.568 10.571 ( -1.137 -0.000 -3.964) 4.124 10.572 ( 2.198 0.000 2.149) 3.074 10.652 ( 5.991 0.000 -0.597) 6.020 10.654 ( 3.550 0.000 4.596) 5.807 10.700 ( -4.534 -0.000 1.696) 4.840 10.758 ( -1.860 -0.000 1.215) 2.222 10.901 ( 1.076 0.000 1.163) 1.584 11.947 ( -0.937 -0.000 -2.388) 2.566 11.990 ( -0.269 -0.000 -2.103) 2.120 12.232 ( 0.475 0.000 -1.143) 1.237 12.284 ( 0.088 0.000 -1.855) 1.857 12.985 ( 1.966 0.000 0.651) 2.070 13.012 ( -0.552 -0.000 -0.033) 0.553 13.426 ( -0.139 -0.000 0.919) 0.930 13.472 ( 1.158 0.000 0.188) 1.173 13.716 ( -1.711 -0.000 1.739) 2.440 13.823 ( 1.828 0.000 -0.727) 1.967 13.918 ( -1.751 -0.000 0.993) 2.013 14.048 ( -0.600 -0.000 -1.616) 1.723 14.388 ( 3.214 0.000 5.919) 6.735 14.856 ( -0.741 -0.000 -4.515) 4.576 16.868 ( 1.098 0.000 1.522) 1.877 17.010 ( -3.643 -0.000 -1.581) 3.971 17.915 ( 0.405 0.000 0.412) 0.578 17.938 ( -0.373 -0.000 -0.102) 0.386 ======================= Grid point 126 (38/168) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 7.463 -8.707 14.107) 18.180 0.654 ( 7.711 -5.121 19.606) 21.682 1.038 ( 6.943 -9.312 14.704) 18.738 1.213 ( -1.932 -3.697 -4.344) 6.023 1.270 ( 4.982 -15.029 15.882) 22.426 1.451 ( 4.967 -13.015 7.447) 15.796 1.821 ( -0.367 -0.654 -16.580) 16.597 2.428 ( -3.451 1.105 -8.185) 8.951 2.649 ( -3.415 5.497 -0.633) 6.503 2.804 ( 5.566 -3.368 -5.304) 8.394 2.886 ( 7.339 0.397 4.471) 8.603 3.078 ( 3.152 -1.918 5.622) 6.725 3.297 ( -0.411 -0.035 5.682) 5.697 3.449 ( -10.951 8.320 -0.575) 13.765 3.514 ( -2.620 3.900 -9.783) 10.853 3.690 ( -1.202 -1.615 -9.684) 9.891 4.152 ( -2.171 6.504 4.139) 8.010 4.359 ( 3.957 2.582 -1.114) 4.855 4.505 ( 0.801 -1.687 2.569) 3.176 4.576 ( 1.138 -0.886 3.167) 3.480 4.684 ( 0.031 -0.339 0.713) 0.790 4.871 ( -0.766 1.409 -0.565) 1.700 5.194 ( -1.620 4.544 0.830) 4.895 5.262 ( -4.331 -0.598 0.014) 4.372 5.376 ( 3.066 5.529 -1.378) 6.471 5.420 ( 6.049 -7.481 -0.670) 9.644 5.674 ( -1.012 2.285 0.782) 2.619 5.830 ( 1.951 3.041 -1.791) 4.033 5.879 ( -1.762 -2.121 2.751) 3.895 6.078 ( -6.546 -1.725 4.158) 7.944 6.405 ( -2.280 -0.391 0.030) 2.313 6.504 ( 0.316 4.425 -5.536) 7.094 6.928 ( 0.991 17.269 7.583) 18.886 7.040 ( -2.737 5.581 -1.684) 6.440 7.502 ( 6.910 5.381 11.106) 14.144 7.797 ( -1.315 6.359 -0.858) 6.550 8.023 ( -0.113 -3.436 1.314) 3.681 8.162 ( -2.528 -2.197 -2.809) 4.371 8.445 ( -1.546 -9.599 0.911) 9.765 8.481 ( 1.190 -2.724 0.861) 3.095 8.590 ( -2.702 -4.939 -2.521) 6.168 8.671 ( -6.520 -19.601 -7.470) 21.966 9.266 ( 3.295 -0.248 -1.945) 3.834 9.296 ( 4.600 -2.138 -2.798) 5.793 9.822 ( -7.679 5.391 2.303) 9.661 9.986 ( 2.550 1.795 -1.302) 3.379 10.312 ( -3.859 1.270 -0.089) 4.064 10.493 ( -9.540 -1.905 4.531) 10.732 10.509 ( 2.994 5.346 -2.264) 6.532 10.661 ( -5.028 -1.433 2.732) 5.899 10.689 ( 1.878 0.839 5.079) 5.480 10.752 ( 0.215 0.403 -0.034) 0.459 10.838 ( 13.970 -1.226 -2.550) 14.254 10.888 ( 1.283 1.305 1.082) 2.126 11.890 ( -1.408 4.247 -2.151) 4.964 11.965 ( 0.382 1.929 -3.791) 4.270 12.178 ( -0.543 2.311 1.633) 2.881 12.340 ( -1.615 -5.257 -3.408) 6.470 12.995 ( 0.590 0.242 0.611) 0.883 13.035 ( 3.613 -0.656 -0.532) 3.711 13.484 ( 1.470 -2.924 0.275) 3.284 13.540 ( 3.160 -4.571 -1.159) 5.676 13.719 ( -1.492 -1.116 1.579) 2.442 13.836 ( -0.403 -0.548 -0.272) 0.733 13.943 ( 2.503 -4.683 3.501) 6.360 14.208 ( -3.061 -14.915 -6.786) 16.669 14.475 ( 9.301 -1.771 2.781) 9.868 14.831 ( 3.099 1.276 -5.666) 6.583 16.683 ( -6.679 23.276 9.572) 26.038 16.790 ( -2.221 9.774 1.508) 10.136 17.921 ( 0.175 -0.174 0.515) 0.571 17.966 ( -1.324 -2.014 -2.289) 3.324 ======================= Grid point 127 (39/168) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 5.743 -9.660 8.510) 14.097 0.943 ( 9.978 -10.173 13.527) 19.648 1.225 ( -2.263 -5.424 -6.169) 8.520 1.283 ( 5.607 -7.963 3.296) 10.282 1.616 ( 3.555 -17.923 9.874) 20.769 1.742 ( 3.128 -3.389 -11.242) 12.151 1.963 ( 12.866 -18.207 9.053) 24.063 2.345 ( -3.921 1.304 -7.613) 8.662 2.552 ( -2.835 1.672 0.201) 3.298 2.882 ( 4.424 -3.208 -6.283) 8.327 2.968 ( 4.152 -2.005 5.894) 7.483 3.118 ( 1.111 2.977 2.301) 3.923 3.244 ( -6.260 3.008 2.159) 7.273 3.320 ( -2.616 1.799 1.565) 3.540 3.437 ( 0.757 0.130 -3.296) 3.385 3.638 ( -0.785 1.609 -7.668) 7.874 4.056 ( -3.526 2.984 0.909) 4.708 4.331 ( 4.292 3.293 -1.132) 5.527 4.508 ( -2.989 2.033 2.396) 4.337 4.616 ( 0.185 -1.407 2.039) 2.484 4.700 ( 1.067 -0.796 -0.787) 1.547 4.813 ( -0.247 4.494 -1.357) 4.701 5.096 ( -1.339 5.440 1.710) 5.857 5.262 ( -4.627 -1.732 4.355) 6.586 5.278 ( 1.828 6.602 -0.517) 6.870 5.592 ( 5.368 -4.367 -1.905) 7.178 5.624 ( 0.505 1.089 0.057) 1.202 5.774 ( 2.880 3.149 -3.943) 5.810 5.926 ( -0.095 -1.656 4.575) 4.867 6.075 ( -7.125 -0.803 6.740) 9.841 6.354 ( -0.564 7.305 -7.761) 10.673 6.380 ( -4.041 3.223 0.687) 5.214 6.718 ( -0.780 8.427 1.970) 8.689 6.918 ( 1.091 6.916 -2.059) 7.298 7.534 ( 6.331 4.046 8.751) 11.534 7.664 ( -4.240 5.173 -3.923) 7.754 8.122 ( 0.617 -5.569 3.156) 6.431 8.198 ( -0.336 -4.395 -1.040) 4.529 8.470 ( -1.924 -0.314 1.107) 2.242 8.555 ( -2.542 -2.278 -4.137) 5.363 8.750 ( -0.834 -14.413 3.645) 14.890 8.867 ( -5.587 -13.063 -4.089) 14.784 9.281 ( 0.232 -1.341 -1.782) 2.242 9.356 ( 3.858 -2.659 -3.956) 6.132 9.699 ( -5.957 4.021 3.043) 7.804 9.955 ( 2.984 4.163 1.242) 5.271 10.257 ( -3.545 1.082 -2.902) 4.708 10.412 ( 1.810 6.321 -1.441) 6.731 10.508 ( -5.091 -2.895 2.057) 6.207 10.640 ( -6.927 -0.702 1.375) 7.097 10.698 ( -3.934 0.367 2.627) 4.745 10.763 ( 1.994 -1.331 -0.460) 2.441 10.848 ( 3.335 2.904 3.588) 5.695 10.987 ( 9.357 -3.529 -1.244) 10.077 11.790 ( 0.008 5.386 -0.850) 5.452 11.889 ( 0.720 5.088 -2.580) 5.750 12.196 ( 0.581 -2.715 2.084) 3.472 12.386 ( -2.041 -4.060 -3.891) 5.982 13.005 ( 0.377 -0.705 0.453) 0.919 13.061 ( 2.711 0.171 -0.739) 2.815 13.554 ( 1.956 -2.834 1.476) 3.747 13.609 ( -0.094 -2.871 -1.009) 3.044 13.752 ( 1.055 -2.131 1.681) 2.912 13.851 ( -0.598 -1.891 -0.332) 2.011 14.107 ( 4.449 -7.987 4.274) 10.092 14.387 ( -1.852 -11.645 -1.462) 11.882 14.608 ( 9.551 -4.311 -1.141) 10.541 14.805 ( 4.501 1.853 -6.744) 8.317 16.308 ( -5.471 20.486 7.178) 22.386 16.542 ( -3.837 16.390 0.354) 16.836 17.926 ( -0.158 -0.089 0.475) 0.508 17.960 ( -1.443 -0.132 -1.641) 2.189 ======================= Grid point 128 (40/168) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 4.300 -6.510 4.829) 9.175 1.229 ( 6.456 -8.401 9.486) 14.221 1.310 ( 3.242 -8.180 -5.383) 10.315 1.460 ( 6.417 -7.589 -1.506) 10.052 1.781 ( 0.916 -6.266 -7.858) 10.092 2.006 ( 2.962 -16.770 10.652) 20.087 2.251 ( -1.785 3.381 -4.184) 5.668 2.336 ( 7.803 -10.534 3.808) 13.652 2.563 ( -2.435 -4.739 2.034) 5.703 2.854 ( -1.026 4.239 -6.888) 8.153 3.052 ( -0.990 -3.259 1.494) 3.720 3.105 ( 4.045 0.531 1.704) 4.421 3.217 ( -0.692 -1.623 3.400) 3.830 3.294 ( 0.593 1.057 0.457) 1.295 3.427 ( 1.013 1.396 -4.318) 4.650 3.582 ( 0.075 1.151 -1.696) 2.051 4.009 ( -3.709 -0.756 -1.730) 4.162 4.324 ( 3.079 0.710 -0.481) 3.196 4.425 ( -3.157 5.280 3.221) 6.944 4.622 ( -3.822 1.329 0.297) 4.057 4.701 ( 0.374 0.493 -0.567) 0.839 4.742 ( 4.698 3.341 -2.760) 6.391 5.026 ( -1.124 2.779 2.058) 3.636 5.160 ( 1.079 8.273 3.224) 8.944 5.285 ( -5.243 -1.642 2.182) 5.912 5.530 ( -1.541 3.583 -3.440) 5.201 5.665 ( 1.674 2.371 -0.391) 2.928 5.824 ( 5.687 -6.382 -2.986) 9.055 5.956 ( -1.486 1.698 4.792) 5.297 6.056 ( -2.177 2.161 8.036) 8.602 6.171 ( 0.948 5.627 -5.461) 7.899 6.318 ( -6.799 -0.109 -1.779) 7.029 6.622 ( -0.747 4.282 -1.717) 4.673 6.820 ( 3.751 5.433 -1.368) 6.742 7.511 ( -2.729 5.281 -1.253) 6.076 7.552 ( 0.952 2.870 2.341) 3.824 8.216 ( -1.323 -4.354 0.049) 4.551 8.285 ( 2.283 -4.071 2.273) 5.192 8.461 ( -1.858 0.256 1.861) 2.642 8.531 ( -2.519 0.125 -3.804) 4.564 8.994 ( -2.382 -12.165 2.293) 12.607 9.016 ( -2.091 -10.608 0.392) 10.820 9.298 ( -0.369 -1.545 -1.237) 2.014 9.410 ( 1.740 -3.526 -4.571) 6.029 9.623 ( -3.827 2.322 3.287) 5.553 9.912 ( 2.950 4.945 4.070) 7.052 10.184 ( -2.602 2.343 -5.005) 6.108 10.316 ( 2.675 5.539 -2.977) 6.834 10.531 ( -2.431 -2.181 2.395) 4.050 10.594 ( -7.571 -0.296 0.065) 7.577 10.636 ( -5.211 2.811 0.409) 5.935 10.811 ( 1.256 -2.898 -1.433) 3.468 10.873 ( 1.039 -1.111 4.927) 5.157 11.107 ( 7.184 -3.252 -0.480) 7.900 11.697 ( -1.367 4.426 -2.819) 5.423 11.812 ( 3.833 5.423 2.917) 7.253 12.272 ( 1.904 -3.607 1.560) 4.367 12.411 ( -1.752 -2.791 -3.684) 4.943 13.025 ( 0.353 -0.991 0.290) 1.091 13.067 ( 1.584 0.525 -0.951) 1.921 13.604 ( -0.281 -0.938 2.046) 2.269 13.642 ( -1.498 -2.688 -0.436) 3.108 13.820 ( 2.962 -2.584 1.570) 4.232 13.888 ( 0.005 -3.191 -0.429) 3.219 14.284 ( 4.094 -5.825 4.374) 8.356 14.578 ( 2.823 -10.227 1.437) 10.707 14.746 ( 6.395 -3.676 -5.221) 9.037 14.784 ( 3.460 -1.682 -4.747) 6.110 15.959 ( -5.336 18.690 2.528) 19.601 16.219 ( -3.340 17.631 0.891) 17.967 17.926 ( -0.410 0.041 0.311) 0.517 17.942 ( -1.076 0.363 -0.764) 1.369 ======================= Grid point 129 (41/168) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.085 -2.871 2.610) 3.881 1.428 ( 5.866 -7.278 1.070) 9.409 1.468 ( 6.036 -4.748 2.834) 8.186 1.644 ( 7.363 -8.157 -0.201) 10.990 1.869 ( 0.445 -6.256 -4.305) 7.607 2.159 ( 0.734 5.022 -0.598) 5.110 2.276 ( -1.736 -8.671 5.449) 10.387 2.476 ( -0.382 -0.200 2.141) 2.184 2.684 ( -0.892 -8.666 2.147) 8.972 2.757 ( -1.273 -0.515 -4.625) 4.824 3.085 ( 0.976 3.638 2.352) 4.441 3.116 ( 1.095 -3.921 -1.555) 4.358 3.254 ( -0.115 5.100 -0.097) 5.102 3.294 ( 3.785 -2.571 -1.280) 4.751 3.414 ( 0.239 -4.120 -5.873) 7.178 3.566 ( 0.489 2.386 3.649) 4.387 4.001 ( -3.097 -2.826 -3.026) 5.171 4.265 ( -3.858 5.152 0.439) 6.451 4.406 ( 2.128 -0.466 2.777) 3.530 4.535 ( -2.196 4.278 0.181) 4.812 4.709 ( 3.429 3.159 -3.433) 5.790 4.718 ( 0.523 -1.705 -0.963) 2.027 4.992 ( -0.745 1.134 0.200) 1.371 5.061 ( -0.055 5.435 4.041) 6.773 5.261 ( -3.662 0.118 2.707) 4.556 5.445 ( -3.163 3.592 -1.856) 5.134 5.625 ( 0.831 2.111 -1.980) 3.011 5.876 ( -3.048 0.236 -1.277) 3.313 5.984 ( 6.273 -4.797 -1.474) 8.033 6.065 ( 5.564 4.960 3.052) 8.055 6.145 ( -0.428 -1.996 3.976) 4.469 6.265 ( -6.877 -0.747 -0.760) 6.959 6.527 ( -1.876 3.748 -1.583) 4.480 6.787 ( 5.266 2.807 0.843) 6.027 7.381 ( -5.611 3.471 -4.723) 8.114 7.537 ( 2.082 2.647 3.060) 4.551 8.245 ( -3.538 -2.296 -3.291) 5.350 8.371 ( 2.426 -2.251 1.384) 3.587 8.459 ( -0.451 0.005 3.795) 3.821 8.486 ( -1.444 1.345 -2.063) 2.854 9.129 ( -0.538 -6.341 1.432) 6.523 9.181 ( -2.608 -7.289 0.480) 7.757 9.322 ( -0.178 -2.628 -0.347) 2.657 9.454 ( -0.236 -3.387 -5.239) 6.243 9.593 ( -1.546 0.841 4.941) 5.245 9.872 ( 2.482 5.239 5.841) 8.230 10.104 ( 0.079 2.344 -5.743) 6.204 10.248 ( 3.575 3.378 -3.412) 5.986 10.528 ( -4.057 2.257 1.410) 4.852 10.538 ( -6.650 0.377 -1.685) 6.871 10.580 ( -1.346 -1.123 1.897) 2.583 10.857 ( -0.618 -3.126 -2.247) 3.899 10.931 ( -1.104 -2.574 4.896) 5.640 11.201 ( 5.322 -2.135 -0.330) 5.744 11.596 ( -3.513 2.696 -4.716) 6.469 11.793 ( 5.717 4.443 6.982) 10.058 12.349 ( 1.619 -2.706 0.895) 3.278 12.421 ( -0.498 -1.589 -2.853) 3.304 13.043 ( 0.621 -0.309 0.040) 0.695 13.064 ( 0.661 0.044 -0.991) 1.192 13.611 ( -1.726 -0.175 1.746) 2.461 13.670 ( -1.182 -1.602 0.606) 2.081 13.875 ( -0.215 -2.086 -0.156) 2.103 13.962 ( 2.701 -3.526 1.820) 4.800 14.402 ( 3.907 -2.075 3.110) 5.408 14.700 ( 0.425 -0.366 -4.200) 4.237 14.797 ( 3.279 -7.905 -5.490) 10.168 14.927 ( 5.493 -8.542 -2.608) 10.485 15.619 ( -4.726 17.386 0.126) 18.018 15.944 ( -1.871 13.003 4.817) 13.992 17.922 ( -0.325 0.176 0.151) 0.399 17.926 ( -0.686 0.240 -0.206) 0.755 ======================= Grid point 130 (42/168) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.450 -0.714 2.278) 2.793 1.548 ( 2.965 -1.865 -0.042) 3.503 1.593 ( 6.516 -1.682 6.589) 9.418 1.823 ( 6.529 -5.459 0.278) 8.515 1.941 ( 0.385 -3.296 -2.353) 4.068 2.094 ( 2.476 3.624 1.153) 4.538 2.344 ( -3.384 -0.661 -2.287) 4.138 2.393 ( -4.770 3.867 0.519) 6.163 2.769 ( -1.176 -4.269 -0.379) 4.445 2.844 ( 1.095 -4.056 1.863) 4.595 3.023 ( -0.469 3.316 1.274) 3.583 3.131 ( -2.906 6.408 -2.886) 7.605 3.213 ( 2.877 -4.528 -4.276) 6.860 3.343 ( 3.715 -1.821 -2.181) 4.677 3.444 ( -4.211 -1.664 -2.687) 5.265 3.564 ( 2.148 0.590 5.269) 5.720 4.032 ( -2.707 -5.184 -1.443) 6.023 4.184 ( -1.065 1.539 1.855) 2.635 4.401 ( 0.260 3.371 -1.630) 3.753 4.455 ( -1.616 3.260 -0.095) 3.640 4.687 ( 4.028 0.726 -2.331) 4.710 4.739 ( -2.556 -1.928 -0.185) 3.207 4.978 ( 1.186 1.118 -1.061) 1.945 5.020 ( -0.075 0.998 2.060) 2.291 5.271 ( -1.209 -0.330 5.403) 5.547 5.359 ( -3.480 0.830 0.804) 3.667 5.601 ( 0.841 0.610 -2.230) 2.460 5.862 ( -1.840 -1.205 -3.161) 3.851 5.981 ( 2.088 6.507 -3.809) 7.824 6.088 ( -1.236 -4.178 -1.951) 4.774 6.211 ( -2.488 2.191 2.332) 4.053 6.220 ( 5.027 -0.132 3.816) 6.313 6.506 ( -0.173 -2.620 3.978) 4.766 6.811 ( 5.647 0.685 3.994) 6.950 7.274 ( -4.907 1.036 -5.937) 7.772 7.523 ( 1.606 1.813 1.489) 2.843 8.213 ( -4.680 -0.738 -6.004) 7.648 8.399 ( 0.408 -0.012 -0.538) 0.675 8.448 ( -0.742 1.169 -0.082) 1.387 8.507 ( 3.084 -1.025 5.566) 6.445 9.200 ( -2.828 -0.493 -2.266) 3.657 9.223 ( 0.910 -2.407 1.663) 3.064 9.370 ( -0.525 -2.578 -1.907) 3.250 9.464 ( -1.219 -0.179 -1.438) 1.893 9.620 ( 0.423 -1.648 4.789) 5.082 9.828 ( 1.172 4.680 5.193) 7.089 10.065 ( 4.385 1.356 -5.101) 6.862 10.231 ( 3.671 0.343 -2.359) 4.377 10.462 ( -6.228 0.308 -0.351) 6.245 10.485 ( -2.722 0.748 0.209) 2.830 10.601 ( 0.139 -0.598 0.205) 0.647 10.882 ( -0.462 -1.680 -2.426) 2.987 10.977 ( -3.937 -2.191 4.946) 6.691 11.258 ( 3.370 -0.629 0.113) 3.430 11.518 ( -4.379 0.154 -4.567) 6.329 11.810 ( 4.987 2.792 7.765) 9.642 12.377 ( -1.562 -0.742 -1.579) 2.342 12.447 ( 3.270 -0.931 -0.024) 3.400 13.041 ( 0.950 0.715 -0.865) 1.470 13.072 ( -0.124 -0.801 -0.280) 0.858 13.608 ( -1.299 0.104 1.835) 2.251 13.684 ( -0.982 -0.650 0.976) 1.529 13.892 ( -2.335 -1.575 -1.009) 2.992 14.040 ( 2.317 -1.110 3.738) 4.536 14.432 ( 1.400 1.883 -0.401) 2.381 14.685 ( -4.041 -3.054 -4.654) 6.879 14.888 ( 4.296 -1.539 -7.124) 8.460 15.106 ( 5.495 -8.908 -9.999) 14.475 15.323 ( -3.184 12.421 5.070) 13.789 15.822 ( -0.632 4.113 9.811) 10.657 17.917 ( -0.037 0.147 0.015) 0.152 17.922 ( -0.214 0.024 0.077) 0.229 ======================= Grid point 131 (43/168) ======================= q-point: (-0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -1.743 2.314 1.968) 3.502 1.543 ( 1.762 5.582 2.654) 6.427 1.658 ( 3.607 2.304 3.621) 5.606 1.890 ( 4.833 3.866 1.952) 6.490 1.959 ( -2.245 -1.007 -2.658) 3.622 2.113 ( 2.998 -2.281 3.475) 5.125 2.206 ( -4.719 7.500 -2.546) 9.220 2.404 ( 0.229 -4.595 1.144) 4.741 2.816 ( -1.157 -1.625 -0.732) 2.125 2.844 ( 2.319 5.474 2.201) 6.339 2.967 ( -5.932 4.728 -7.022) 10.337 3.016 ( -0.526 -1.701 -1.634) 2.416 3.243 ( 1.404 -1.239 -5.836) 6.129 3.325 ( -4.784 4.114 1.787) 6.558 3.455 ( -2.008 -2.367 0.005) 3.104 3.622 ( 4.153 -2.274 2.643) 5.423 4.121 ( -1.986 -6.469 1.458) 6.923 4.216 ( 0.615 -2.802 2.971) 4.130 4.291 ( -0.216 5.602 -3.024) 6.370 4.430 ( -0.213 -1.185 -1.082) 1.618 4.685 ( 1.693 0.786 -4.822) 5.171 4.761 ( -2.262 -2.774 1.419) 3.851 4.942 ( -0.523 2.953 -0.051) 3.000 5.030 ( 0.005 -1.017 0.562) 1.162 5.290 ( 1.645 -0.019 4.427) 4.723 5.410 ( -1.343 -6.096 4.133) 7.486 5.586 ( 1.286 0.882 -2.911) 3.303 5.837 ( -2.038 0.298 -3.881) 4.394 5.879 ( 0.674 4.192 -3.643) 5.594 6.076 ( -6.275 -1.034 -0.928) 6.428 6.148 ( -0.752 3.595 -0.867) 3.773 6.308 ( 6.507 -1.531 3.670) 7.625 6.617 ( 2.140 -4.525 6.411) 8.134 6.884 ( 5.873 -0.504 6.578) 8.833 7.220 ( -3.493 -2.289 -7.053) 8.196 7.519 ( 1.276 0.296 0.137) 1.317 8.153 ( -3.400 0.191 -6.414) 7.261 8.387 ( -0.684 0.814 -0.482) 1.167 8.432 ( 0.184 0.801 1.203) 1.457 8.576 ( 3.445 -1.007 4.111) 5.458 9.141 ( -1.482 3.059 -1.829) 3.860 9.262 ( 1.706 0.631 0.775) 1.977 9.376 ( -0.080 -0.411 -3.302) 3.329 9.418 ( -1.248 4.281 1.513) 4.709 9.685 ( 1.160 -2.403 3.766) 4.615 9.785 ( -0.023 3.248 3.495) 4.772 10.076 ( 7.379 0.122 -4.790) 8.798 10.269 ( 3.056 -2.105 0.057) 3.711 10.421 ( -4.918 -1.248 -1.636) 5.331 10.478 ( -0.328 -0.936 0.485) 1.105 10.601 ( 0.472 0.440 -0.872) 1.085 10.885 ( 0.419 0.060 -2.038) 2.081 10.983 ( -6.504 -0.596 4.729) 8.064 11.272 ( 0.602 1.278 0.903) 1.677 11.482 ( -4.434 -2.691 -4.105) 6.615 11.851 ( 3.608 0.511 7.306) 8.164 12.352 ( -2.043 0.827 -1.820) 2.858 12.485 ( 4.159 0.266 0.507) 4.198 13.032 ( 0.677 0.478 -1.036) 1.327 13.080 ( -0.371 -0.406 -0.214) 0.590 13.604 ( -0.502 0.556 1.646) 1.808 13.688 ( -0.609 0.035 1.249) 1.390 13.883 ( -2.949 -0.449 -0.946) 3.130 14.059 ( -0.423 2.092 4.100) 4.622 14.379 ( -1.569 2.953 -1.183) 3.547 14.673 ( -5.987 -1.673 -5.204) 8.107 14.832 ( 2.059 6.432 -10.655) 12.615 15.035 ( -0.879 5.597 -3.814) 6.830 15.432 ( 6.007 -13.694 2.559) 15.171 15.865 ( 0.224 -2.712 9.850) 10.219 17.920 ( 0.535 -0.252 0.006) 0.591 17.921 ( 0.127 0.033 0.136) 0.189 ======================= Grid point 132 (44/168) ======================= q-point: (-0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -1.901 7.132 -0.046) 7.381 1.413 ( 0.703 12.381 3.659) 12.929 1.595 ( 1.407 7.903 -0.731) 8.060 1.805 ( -3.294 9.216 5.894) 11.425 1.934 ( -1.882 -0.976 -2.350) 3.165 2.010 ( -4.690 10.167 -1.137) 11.254 2.215 ( 1.616 -3.229 4.760) 5.974 2.557 ( 5.007 -7.518 6.548) 11.157 2.706 ( -1.868 10.813 1.830) 11.125 2.786 ( -0.086 2.184 -6.596) 6.949 2.861 ( -5.130 -0.279 -7.836) 9.370 3.053 ( 1.264 -2.655 0.603) 3.002 3.192 ( -5.693 4.441 -2.039) 7.503 3.254 ( 0.623 -0.101 -0.971) 1.158 3.445 ( -3.081 0.459 -1.711) 3.554 3.698 ( 3.345 -1.266 1.909) 4.054 4.162 ( 0.179 1.994 -5.458) 5.814 4.192 ( -3.754 -0.822 4.828) 6.170 4.343 ( 0.744 -5.924 3.686) 7.017 4.498 ( 2.935 -6.395 -1.272) 7.150 4.657 ( 0.415 0.629 -4.253) 4.319 4.799 ( -1.928 -3.160 -0.040) 3.702 4.909 ( 0.567 -0.239 -0.219) 0.653 5.045 ( -2.264 -0.578 2.640) 3.526 5.337 ( 2.908 -0.457 3.484) 4.561 5.528 ( -0.021 -5.323 1.802) 5.620 5.570 ( 2.555 0.632 -2.481) 3.617 5.785 ( -1.165 2.425 -3.807) 4.662 5.833 ( -0.635 -1.002 -1.654) 2.035 6.070 ( 0.178 -1.271 -2.425) 2.744 6.082 ( -4.913 0.079 2.685) 5.600 6.391 ( 4.161 -1.539 2.167) 4.937 6.701 ( 0.292 -0.988 2.962) 3.136 6.969 ( 5.523 -0.418 6.299) 8.388 7.227 ( -2.088 -4.295 -5.846) 7.548 7.542 ( 0.811 -2.384 -0.641) 2.598 8.101 ( -0.809 0.809 -4.336) 4.484 8.357 ( -1.604 1.788 0.486) 2.450 8.431 ( 1.021 0.432 0.606) 1.264 8.627 ( 2.491 -0.483 2.004) 3.234 9.076 ( 2.068 4.445 0.445) 4.923 9.198 ( 0.462 8.960 0.722) 9.001 9.355 ( -1.192 1.106 -1.440) 2.172 9.362 ( 2.263 1.636 -1.192) 3.037 9.729 ( 2.273 2.766 4.648) 5.867 9.771 ( -1.807 -2.766 1.230) 3.526 10.129 ( 8.856 -1.411 -4.794) 10.169 10.337 ( 2.437 -2.241 2.206) 3.978 10.415 ( -0.505 -1.847 -2.657) 3.275 10.490 ( -2.225 -1.157 -1.933) 3.166 10.606 ( 2.165 -0.733 0.167) 2.292 10.865 ( -0.590 1.723 -0.620) 1.924 10.946 ( -6.755 1.008 4.013) 7.921 11.230 ( -3.383 2.545 0.780) 4.304 11.506 ( -2.923 -5.538 -2.933) 6.915 11.915 ( 1.856 -1.531 5.989) 6.454 12.303 ( -1.961 2.153 -1.243) 3.167 12.504 ( 4.403 1.596 0.077) 4.684 13.026 ( 0.120 0.262 -0.788) 0.839 13.077 ( -0.588 0.052 -0.475) 0.758 13.593 ( 0.066 1.348 1.085) 1.732 13.684 ( -0.252 0.814 1.325) 1.575 13.853 ( -2.558 1.041 -0.268) 2.775 14.009 ( -3.344 3.639 3.187) 5.880 14.309 ( -2.262 3.734 1.005) 4.480 14.549 ( -6.971 6.418 -7.278) 11.948 14.697 ( 3.638 4.381 -8.444) 10.185 14.975 ( -6.361 -1.153 0.529) 6.486 15.763 ( 8.331 -17.170 0.336) 19.088 15.984 ( 0.556 -6.094 6.481) 8.913 17.920 ( 0.250 0.159 0.049) 0.301 17.937 ( 1.287 -0.821 0.062) 1.528 ======================= Grid point 133 (45/168) ======================= q-point: (-0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.685 13.857 -2.619) 14.202 1.184 ( -1.257 16.598 5.001) 17.381 1.423 ( -1.192 11.946 -2.098) 12.187 1.609 ( -8.104 10.144 5.780) 14.212 1.779 ( -6.424 12.506 3.048) 14.386 1.957 ( -1.286 -2.850 -0.989) 3.279 2.174 ( -10.400 9.362 3.308) 14.379 2.531 ( 0.284 8.198 5.576) 9.919 2.723 ( 1.248 1.746 -7.582) 7.879 2.744 ( -1.286 2.669 -2.195) 3.687 2.779 ( 4.564 -6.336 0.497) 7.824 3.079 ( -3.241 3.121 -6.559) 7.954 3.122 ( 0.941 -3.171 0.867) 3.420 3.252 ( -0.228 0.093 4.062) 4.069 3.436 ( 0.229 -3.734 -2.080) 4.280 3.739 ( 2.160 -1.023 -0.145) 2.395 4.136 ( -1.312 -0.325 1.441) 1.976 4.193 ( -1.103 -1.451 -1.519) 2.373 4.459 ( -0.040 -4.823 3.096) 5.731 4.614 ( 2.345 -0.160 -0.313) 2.372 4.648 ( 0.964 -4.145 -2.977) 5.193 4.833 ( -2.043 -2.439 -0.126) 3.184 4.974 ( 2.135 -6.528 -0.210) 6.872 5.052 ( -2.935 -2.023 3.446) 4.958 5.356 ( 1.351 2.214 2.975) 3.947 5.549 ( -2.620 0.018 -2.728) 3.783 5.607 ( 4.553 -0.824 -1.865) 4.989 5.757 ( -0.292 -2.599 -2.432) 3.571 5.860 ( -0.465 -2.575 0.129) 2.620 6.040 ( -3.366 0.717 4.860) 5.955 6.163 ( 3.500 -6.374 -1.073) 7.351 6.446 ( 1.195 -1.624 0.510) 2.080 6.695 ( -1.462 0.946 -0.164) 1.749 7.029 ( 3.180 0.113 2.256) 3.900 7.256 ( -1.651 -3.041 -3.040) 4.606 7.605 ( 0.525 -4.468 -0.347) 4.512 8.075 ( 0.949 0.952 -0.832) 1.581 8.306 ( -1.820 2.863 1.009) 3.539 8.438 ( 1.806 0.303 -0.027) 1.831 8.649 ( 1.656 0.335 0.072) 1.691 8.958 ( 0.830 14.252 1.097) 14.319 9.078 ( 4.563 4.707 2.702) 7.091 9.318 ( 0.426 1.517 -6.122) 6.321 9.350 ( 2.539 2.027 0.126) 3.252 9.715 ( 1.375 1.869 4.851) 5.377 9.829 ( -1.137 -4.023 0.857) 4.268 10.211 ( 9.526 -1.886 -3.893) 10.462 10.380 ( 2.582 0.951 1.520) 3.143 10.445 ( 1.307 -1.904 -4.043) 4.656 10.479 ( -1.702 -2.410 -1.108) 3.152 10.656 ( 3.162 -1.547 0.934) 3.642 10.808 ( -4.574 2.362 1.128) 5.270 10.887 ( -5.065 2.269 2.648) 6.149 11.157 ( -7.133 1.427 0.995) 7.342 11.598 ( -0.236 -8.308 -1.921) 8.530 11.977 ( -0.388 -2.144 3.509) 4.130 12.240 ( -1.701 3.058 -0.302) 3.513 12.502 ( 4.378 2.637 -0.628) 5.149 13.016 ( -0.563 0.489 -0.203) 0.773 13.066 ( -1.102 0.043 -0.940) 1.449 13.568 ( 0.156 2.168 0.655) 2.270 13.664 ( -0.203 2.015 0.787) 2.173 13.808 ( -2.109 2.170 0.710) 3.108 13.932 ( -3.678 3.174 2.246) 5.353 14.199 ( -4.408 7.491 0.843) 8.732 14.378 ( -0.270 5.591 -2.970) 6.337 14.634 ( 0.738 1.473 -6.893) 7.087 14.950 ( -9.245 -2.793 -0.306) 9.662 16.082 ( 2.285 -10.184 5.086) 11.611 16.176 ( 5.828 -15.397 -0.553) 16.473 17.919 ( 0.288 0.274 0.030) 0.399 17.967 ( 1.943 -1.140 -0.234) 2.264 ======================= Grid point 134 (46/168) ======================= q-point: (-0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -1.229 17.760 -0.549) 17.811 0.886 ( -4.655 18.806 5.880) 20.246 1.153 ( -6.228 15.541 2.643) 16.950 1.412 ( -9.129 14.297 7.182) 18.421 1.486 ( -10.235 12.625 3.048) 16.536 1.828 ( -14.812 8.536 3.403) 17.431 2.049 ( -2.623 -2.429 -1.963) 4.078 2.375 ( -0.636 9.940 3.934) 10.709 2.657 ( 2.240 2.637 -3.244) 4.743 2.789 ( 1.410 -6.032 -6.700) 9.125 2.864 ( 2.734 1.971 -2.653) 4.289 2.970 ( 0.823 2.941 -0.410) 3.082 3.187 ( 2.968 -1.572 1.286) 3.596 3.327 ( 1.486 -5.484 6.004) 8.266 3.537 ( 0.435 -7.430 -1.919) 7.686 3.778 ( 1.214 -2.780 -2.816) 4.139 4.129 ( -3.936 0.126 3.904) 5.546 4.234 ( 3.351 -3.094 -3.264) 5.608 4.510 ( -2.011 -0.297 2.321) 3.085 4.585 ( -1.541 2.160 0.330) 2.674 4.693 ( 1.212 0.096 -1.503) 1.933 4.851 ( -1.150 -1.383 1.343) 2.245 5.120 ( -0.558 -5.696 2.115) 6.102 5.145 ( 2.398 -10.081 -0.093) 10.363 5.333 ( -0.385 1.626 1.952) 2.570 5.500 ( -3.118 1.308 -0.733) 3.460 5.637 ( 4.302 -1.391 -6.131) 7.618 5.808 ( -3.090 -3.937 -1.277) 5.165 5.895 ( -0.343 -0.959 1.765) 2.038 6.062 ( -1.315 -2.253 9.347) 9.705 6.320 ( 6.165 -7.762 -0.027) 9.913 6.462 ( -1.770 -0.728 -2.225) 2.935 6.676 ( -0.915 -0.382 1.165) 1.530 7.047 ( 0.656 -1.094 -1.152) 1.718 7.272 ( -0.967 -0.883 0.361) 1.358 7.687 ( 0.902 -4.213 0.601) 4.350 8.068 ( 0.302 0.935 0.900) 1.332 8.250 ( -1.435 2.519 0.764) 2.998 8.446 ( 2.491 0.853 -0.306) 2.651 8.641 ( 1.179 2.036 -1.420) 2.748 8.697 ( -0.064 15.804 1.474) 15.872 9.078 ( 10.154 4.685 3.121) 11.610 9.229 ( -0.492 5.184 -11.733) 12.837 9.326 ( 1.788 2.547 -0.851) 3.226 9.755 ( 3.311 -1.651 6.488) 7.469 9.890 ( -1.763 -4.285 -0.411) 4.651 10.284 ( 7.323 0.667 0.729) 7.389 10.381 ( 2.811 0.903 -0.825) 3.065 10.461 ( 2.370 -2.024 -3.797) 4.913 10.537 ( 1.603 -2.873 1.168) 3.491 10.665 ( 1.588 3.965 1.258) 4.453 10.773 ( -4.281 -1.698 1.974) 5.011 10.828 ( -4.299 0.145 1.269) 4.484 11.072 ( -12.371 0.479 0.411) 12.388 11.759 ( 2.804 -9.949 -1.547) 10.452 12.006 ( -2.131 -1.325 0.057) 2.510 12.180 ( -1.339 2.419 1.122) 2.983 12.474 ( 3.170 3.723 -1.873) 5.236 12.999 ( -0.794 0.700 0.424) 1.140 13.049 ( -2.298 -0.153 -1.205) 2.599 13.531 ( -0.271 2.493 0.543) 2.566 13.617 ( -0.291 3.435 -0.500) 3.483 13.760 ( -1.916 2.018 1.352) 3.094 13.875 ( -1.935 1.925 1.501) 3.115 14.023 ( -3.681 8.511 0.646) 9.295 14.317 ( 4.047 4.110 1.434) 5.944 14.573 ( -0.637 2.363 -9.218) 9.537 14.919 ( -8.525 -2.518 -1.857) 9.081 16.271 ( -3.267 -11.537 10.015) 15.623 16.504 ( 7.435 -15.179 -1.053) 16.935 17.916 ( 0.308 0.387 0.058) 0.497 17.998 ( 2.360 -0.657 -1.246) 2.748 ======================= Grid point 135 (47/168) ======================= q-point: (-0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -2.574 9.542 13.857) 17.020 0.544 ( -8.070 18.042 9.042) 21.735 0.885 ( -4.929 12.335 9.709) 16.453 0.984 ( -10.705 25.908 24.625) 37.313 1.345 ( -4.835 2.357 -3.018) 6.168 1.650 ( -22.529 -1.088 -2.221) 22.664 1.987 ( -3.270 0.790 -13.649) 14.057 2.387 ( 6.641 -3.779 16.727) 18.389 2.622 ( 3.256 2.859 -0.807) 4.407 2.783 ( 2.483 2.455 -9.395) 10.023 2.841 ( 1.299 -1.252 -4.578) 4.921 2.989 ( 3.051 0.235 2.278) 3.814 3.224 ( 2.728 0.996 3.823) 4.802 3.523 ( 3.213 -12.290 4.117) 13.353 3.635 ( -2.801 -6.465 -4.118) 8.162 3.794 ( -0.645 -0.667 -8.436) 8.486 4.138 ( -2.288 -2.554 5.424) 6.417 4.290 ( 4.989 -0.585 -0.543) 5.053 4.469 ( -3.982 3.300 4.799) 7.055 4.541 ( -0.494 1.688 1.897) 2.587 4.685 ( -0.365 0.241 0.157) 0.465 4.875 ( 0.377 -0.923 0.516) 1.123 5.210 ( 1.315 -3.233 -0.194) 3.496 5.277 ( 3.150 0.096 -0.366) 3.172 5.345 ( -2.026 -4.617 -0.789) 5.103 5.448 ( -6.030 -0.220 -2.637) 6.585 5.677 ( 0.257 -2.235 -0.123) 2.253 5.820 ( 0.686 -1.129 -1.201) 1.785 5.893 ( -1.387 0.995 0.583) 1.804 6.160 ( -8.477 -6.523 3.364) 11.213 6.425 ( -1.345 1.504 -1.678) 2.624 6.519 ( 4.920 -8.073 -0.539) 9.469 6.771 ( 3.577 -12.185 13.368) 18.439 7.092 ( -0.487 -4.032 0.174) 4.065 7.303 ( 4.135 -1.966 7.369) 8.676 7.765 ( 1.962 -3.124 2.376) 4.388 8.050 ( -1.140 0.843 -1.441) 2.022 8.208 ( -1.692 1.146 -0.149) 2.050 8.432 ( 2.422 9.925 0.812) 10.249 8.448 ( 1.165 5.720 -0.278) 5.844 8.620 ( 0.854 1.613 -1.783) 2.551 8.921 ( 2.208 23.659 -20.498) 31.381 9.128 ( 5.571 0.709 3.212) 6.470 9.294 ( 0.792 1.637 -1.080) 2.115 9.881 ( 4.113 -5.151 4.408) 7.930 9.944 ( 0.034 -3.921 -1.683) 4.267 10.353 ( 6.332 1.786 3.708) 7.552 10.363 ( 3.252 -1.460 3.851) 5.247 10.544 ( 9.559 -2.526 -0.114) 9.888 10.594 ( 1.277 -1.182 1.319) 2.183 10.622 ( 0.294 1.437 1.383) 2.016 10.750 ( -7.345 -0.968 2.292) 7.755 10.855 ( 0.743 -2.512 -0.032) 2.620 10.932 ( -18.729 1.487 -2.279) 18.925 11.922 ( 1.213 -6.254 -1.541) 6.554 11.996 ( -0.923 -0.236 -2.716) 2.878 12.169 ( -0.280 -2.188 1.205) 2.513 12.393 ( -0.054 6.152 -3.669) 7.163 12.988 ( -0.984 0.197 0.480) 1.113 13.024 ( -2.285 0.256 -0.519) 2.357 13.489 ( -0.867 1.926 0.169) 2.119 13.533 ( -0.296 5.947 -2.732) 6.551 13.728 ( -1.405 1.049 1.764) 2.487 13.844 ( -0.472 1.603 -0.689) 1.808 13.902 ( -0.992 3.217 3.389) 4.777 14.271 ( 10.953 12.105 -4.770) 17.007 14.416 ( -8.969 4.653 -6.409) 11.965 14.886 ( -5.210 -1.421 -3.288) 6.323 16.611 ( -1.629 -25.490 18.949) 31.803 16.761 ( 4.856 -8.986 0.315) 10.219 17.913 ( 0.350 0.297 0.192) 0.498 17.997 ( 1.853 2.316 -3.239) 4.392 ======================= Grid point 137 (48/168) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 9.963 0.000 16.378) 19.170 0.816 ( 9.410 0.000 19.200) 21.382 1.144 ( 16.358 0.000 16.136) 22.977 1.154 ( 1.922 0.000 -7.791) 8.025 1.244 ( 4.945 0.000 2.689) 5.629 1.474 ( 19.109 0.000 25.496) 31.862 1.746 ( 2.303 0.000 -17.835) 17.983 2.337 ( -4.623 -0.000 -15.226) 15.912 2.671 ( -5.561 -0.000 -4.968) 7.457 2.758 ( 3.406 0.000 -5.122) 6.151 2.999 ( 5.266 0.000 8.237) 9.777 3.097 ( 2.577 0.000 5.178) 5.784 3.311 ( -3.502 -0.000 5.500) 6.520 3.387 ( -13.240 -0.000 -2.855) 13.545 3.534 ( 0.369 0.000 -12.605) 12.610 3.580 ( -2.827 -0.000 -7.077) 7.620 4.257 ( 0.319 0.000 4.048) 4.060 4.385 ( 0.163 0.000 0.848) 0.863 4.495 ( -0.442 -0.000 -1.762) 1.817 4.593 ( 1.164 0.000 3.332) 3.529 4.683 ( -1.008 -0.000 2.238) 2.454 4.877 ( 0.285 0.000 -1.357) 1.387 5.211 ( -3.601 -0.000 2.214) 4.227 5.243 ( 0.437 0.000 -4.550) 4.571 5.412 ( 8.744 0.000 1.421) 8.858 5.419 ( 0.707 0.000 -3.722) 3.788 5.698 ( -2.437 -0.000 3.147) 3.980 5.812 ( -3.363 -0.000 -0.544) 3.407 5.901 ( 1.953 0.000 3.938) 4.396 6.026 ( -4.388 -0.000 1.693) 4.704 6.386 ( -2.914 -0.000 0.642) 2.983 6.511 ( -0.553 -0.000 -5.013) 5.044 7.082 ( -1.232 -0.000 1.367) 1.840 7.110 ( -4.300 -0.000 -0.123) 4.301 7.663 ( 4.007 0.000 9.211) 10.045 7.842 ( -4.233 -0.000 -6.045) 7.380 8.037 ( 1.172 0.000 5.624) 5.745 8.060 ( -6.906 -0.000 -4.450) 8.215 8.330 ( -1.478 -0.000 2.072) 2.545 8.347 ( -0.131 -0.000 -0.014) 0.132 8.485 ( 2.033 0.000 0.416) 2.075 8.564 ( -1.729 -0.000 -1.362) 2.201 9.250 ( -1.250 -0.000 -1.797) 2.190 9.325 ( 7.088 0.000 -3.215) 7.783 9.836 ( -6.873 -0.000 2.227) 7.224 9.971 ( -1.642 -0.000 -1.675) 2.346 10.330 ( -1.792 -0.000 1.990) 2.678 10.353 ( -11.747 -0.000 1.770) 11.880 10.609 ( -3.214 -0.000 -0.476) 3.249 10.620 ( 2.260 0.000 1.839) 2.914 10.698 ( -4.683 -0.000 5.415) 7.159 10.825 ( 0.690 0.000 -8.092) 8.122 10.857 ( 9.962 0.000 1.428) 10.064 10.927 ( 5.293 0.000 -0.783) 5.350 11.932 ( 1.845 0.000 -4.113) 4.508 11.938 ( -2.027 -0.000 -1.431) 2.482 12.220 ( 0.052 0.000 0.331) 0.335 12.266 ( -0.334 -0.000 -1.519) 1.556 13.010 ( 0.141 0.000 -0.115) 0.182 13.052 ( 3.616 0.000 -0.523) 3.653 13.481 ( 4.795 0.000 0.185) 4.798 13.532 ( 5.395 0.000 0.827) 5.458 13.702 ( -1.283 -0.000 1.519) 1.988 13.827 ( -1.570 -0.000 -0.328) 1.604 13.942 ( 4.293 0.000 2.863) 5.160 14.031 ( 0.672 0.000 -2.317) 2.413 14.552 ( 9.321 0.000 3.979) 10.135 14.849 ( 6.056 0.000 -7.565) 9.691 16.851 ( -5.525 -0.000 3.000) 6.287 16.861 ( -11.445 -0.000 1.768) 11.581 17.924 ( -1.050 -0.000 -0.340) 1.103 17.925 ( 0.186 0.000 0.644) 0.671 ======================= Grid point 138 (49/168) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 10.140 -4.612 12.136) 16.473 0.997 ( 9.654 -4.459 12.423) 16.353 1.157 ( 6.127 0.614 -0.385) 6.170 1.281 ( 10.027 -1.698 1.682) 10.308 1.477 ( 14.091 -11.170 12.653) 21.987 1.679 ( 2.346 -0.634 -14.958) 15.154 1.889 ( 20.092 -11.492 17.785) 29.191 2.248 ( -4.091 -2.171 -13.986) 14.733 2.559 ( -5.081 3.044 -4.112) 7.211 2.805 ( 1.784 -4.652 -5.778) 7.629 3.022 ( 0.399 1.691 6.570) 6.796 3.162 ( 0.967 0.510 -0.787) 1.347 3.247 ( -7.797 1.773 1.658) 8.167 3.293 ( -5.110 0.805 -0.509) 5.198 3.451 ( 0.944 1.631 -0.473) 1.943 3.586 ( -0.159 -2.829 -9.073) 9.505 4.156 ( -0.980 9.365 2.812) 9.827 4.402 ( 2.612 1.967 -1.607) 3.643 4.497 ( -3.076 -2.219 1.613) 4.122 4.621 ( 0.556 0.079 3.899) 3.939 4.689 ( -1.185 -0.646 1.144) 1.770 4.858 ( 0.878 1.825 -1.629) 2.599 5.174 ( -3.514 2.948 2.549) 5.247 5.212 ( -0.787 0.469 -2.651) 2.805 5.372 ( -0.519 2.928 -1.568) 3.362 5.540 ( 7.862 -5.407 -0.753) 9.571 5.653 ( -1.817 2.724 -0.587) 3.327 5.816 ( -2.253 -1.078 -0.816) 2.627 5.925 ( 2.284 0.813 5.732) 6.224 6.020 ( -5.158 -1.778 2.804) 6.134 6.341 ( -4.352 1.788 -0.742) 4.763 6.463 ( -0.496 3.380 -4.078) 5.320 6.893 ( -5.007 13.439 -1.435) 14.413 7.056 ( 0.756 5.609 3.267) 6.535 7.695 ( 0.710 5.034 1.157) 5.214 7.710 ( 0.148 5.867 0.974) 5.949 8.018 ( -4.174 -5.085 -1.840) 6.831 8.128 ( 1.398 -4.667 2.806) 5.622 8.399 ( -3.774 -5.684 0.525) 6.843 8.477 ( -1.950 -6.690 -0.323) 6.976 8.525 ( -1.047 -8.240 -1.228) 8.396 8.616 ( -0.258 -8.754 0.204) 8.761 9.242 ( -1.133 -1.218 -1.719) 2.392 9.359 ( 5.354 -0.009 -3.261) 6.269 9.744 ( -5.365 4.632 2.715) 7.590 9.981 ( -1.513 -2.003 -0.990) 2.699 10.246 ( -5.690 2.196 1.478) 6.275 10.377 ( -6.067 -4.418 0.929) 7.562 10.528 ( -0.076 5.223 -2.690) 5.875 10.627 ( -3.776 -0.001 1.495) 4.062 10.658 ( -5.157 2.502 2.199) 6.139 10.784 ( 0.784 -0.394 -2.278) 2.441 10.926 ( 2.308 1.922 2.319) 3.794 10.989 ( 8.193 -3.165 -1.724) 8.950 11.861 ( 1.010 4.766 -2.402) 5.432 11.957 ( 3.409 0.682 -1.467) 3.773 12.202 ( 1.898 1.115 2.322) 3.200 12.301 ( 0.271 -3.228 -1.843) 3.727 13.003 ( -0.293 0.258 0.455) 0.600 13.074 ( 1.300 -0.338 -0.960) 1.651 13.535 ( 3.029 -2.222 -0.332) 3.772 13.584 ( 2.196 -0.530 1.223) 2.569 13.733 ( 1.823 -2.343 1.831) 3.488 13.820 ( -0.727 -0.913 -0.818) 1.425 14.047 ( 5.726 -5.483 3.127) 8.522 14.141 ( 0.589 -12.035 -3.432) 12.529 14.652 ( 9.162 -0.809 4.004) 10.032 14.844 ( 6.365 1.738 -9.562) 11.618 16.624 ( -8.008 16.594 3.986) 18.852 16.733 ( -6.755 9.667 2.810) 12.124 17.921 ( -1.053 -0.473 -0.266) 1.185 17.934 ( -0.584 -0.634 -0.046) 0.863 ======================= Grid point 139 (50/168) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 7.470 -4.502 6.765) 11.038 1.195 ( 7.159 -6.111 -4.691) 10.517 1.261 ( 11.647 -3.609 13.110) 17.904 1.432 ( 11.599 -4.546 2.128) 12.639 1.670 ( 3.832 -3.309 -10.047) 11.250 1.861 ( 11.441 -13.170 13.834) 22.265 2.210 ( -3.603 -3.395 -6.038) 7.808 2.246 ( 9.792 -8.371 3.923) 13.466 2.491 ( -4.433 -1.365 -1.307) 4.820 2.853 ( 0.171 -2.069 -7.123) 7.419 3.000 ( -6.246 3.206 -2.517) 7.458 3.097 ( 3.440 -3.585 -0.940) 5.057 3.242 ( -2.904 -0.776 -3.183) 4.378 3.273 ( 0.093 0.698 6.809) 6.845 3.462 ( 1.127 0.601 1.354) 1.862 3.579 ( 0.916 -0.666 -3.451) 3.632 4.020 ( -1.637 5.862 0.815) 6.141 4.352 ( -0.875 2.453 -3.287) 4.194 4.499 ( -0.727 2.579 4.620) 5.341 4.624 ( -0.926 1.245 2.674) 3.091 4.691 ( -1.338 -0.555 -1.038) 1.781 4.821 ( 2.798 3.022 -1.788) 4.490 5.089 ( -2.148 4.669 1.631) 5.392 5.213 ( -3.020 -2.375 -0.121) 3.844 5.300 ( -0.485 5.096 1.263) 5.273 5.569 ( -0.798 3.376 -3.311) 4.795 5.701 ( 4.043 -4.081 1.046) 5.839 5.768 ( 0.804 2.039 -3.471) 4.105 5.965 ( -3.285 -1.217 5.834) 6.804 6.042 ( -2.400 -3.137 4.604) 6.066 6.276 ( -4.221 1.533 -0.504) 4.519 6.308 ( -0.498 10.264 -5.272) 11.550 6.691 ( -1.749 6.270 -1.483) 6.676 6.969 ( 2.777 7.276 3.093) 8.380 7.519 ( -6.888 5.294 -7.106) 11.224 7.681 ( 3.245 5.597 4.294) 7.765 8.099 ( -2.426 -6.733 -1.456) 7.303 8.246 ( 3.036 -4.850 3.611) 6.766 8.435 ( -2.988 -2.117 0.982) 3.792 8.492 ( -1.711 -0.886 -1.435) 2.403 8.746 ( -2.035 -15.475 0.968) 15.638 8.801 ( -1.955 -12.383 0.497) 12.546 9.256 ( -0.676 -1.942 -1.246) 2.404 9.380 ( 3.516 -0.319 -3.271) 4.813 9.654 ( -3.547 3.154 2.924) 5.575 9.985 ( -1.184 0.432 1.497) 1.957 10.175 ( -4.972 1.953 -0.746) 5.394 10.372 ( -5.316 0.920 -1.846) 5.702 10.457 ( -0.059 -0.347 -2.415) 2.440 10.593 ( -7.656 -1.401 -0.297) 7.788 10.596 ( -1.006 2.563 1.458) 3.115 10.795 ( 1.148 -0.518 -1.707) 2.122 10.904 ( -0.956 2.247 4.067) 4.744 11.103 ( 6.850 -3.614 -0.354) 7.753 11.756 ( -0.127 6.219 -3.866) 7.324 11.962 ( 6.961 4.083 3.966) 8.992 12.250 ( 3.699 -2.250 1.764) 4.675 12.345 ( 0.841 -2.596 -1.930) 3.342 13.005 ( -1.113 -0.855 0.491) 1.487 13.076 ( 0.228 0.062 -1.312) 1.333 13.584 ( -0.992 -2.303 -1.181) 2.771 13.607 ( 1.148 -0.527 2.656) 2.941 13.809 ( 3.549 -2.445 1.243) 4.485 13.838 ( 0.308 -2.439 -0.690) 2.553 14.214 ( 3.048 -7.812 2.604) 8.781 14.378 ( 4.425 -14.509 -2.055) 15.307 14.757 ( 7.899 -1.338 3.100) 8.591 14.795 ( 3.592 2.848 -10.519) 11.474 16.275 ( -5.017 20.018 3.483) 20.929 16.475 ( -5.310 15.501 2.177) 16.529 17.918 ( -1.291 -0.403 -0.295) 1.385 17.934 ( -0.599 0.020 0.063) 0.602 ======================= Grid point 140 (51/168) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.605 -1.682 0.872) 3.221 1.358 ( 9.897 -6.828 -2.401) 12.261 1.492 ( 12.353 -5.231 7.116) 15.185 1.617 ( 9.375 -4.753 5.757) 11.984 1.753 ( 4.383 -6.080 -3.581) 8.307 2.160 ( 3.479 -6.504 3.716) 8.259 2.212 ( -0.241 -1.051 3.354) 3.523 2.423 ( 0.207 -6.508 0.556) 6.535 2.531 ( -3.163 -7.880 2.611) 8.884 2.758 ( -2.000 4.785 -6.751) 8.513 2.992 ( -3.102 -7.027 -5.081) 9.209 3.166 ( 1.328 2.626 0.237) 2.952 3.256 ( 1.856 -5.550 -2.330) 6.299 3.287 ( -0.050 0.250 1.121) 1.149 3.404 ( 2.096 5.177 -4.787) 7.356 3.613 ( 0.986 -0.300 4.965) 5.071 3.948 ( -1.712 1.003 -1.510) 2.493 4.286 ( -4.670 1.584 -1.707) 5.219 4.457 ( 0.365 3.891 4.623) 6.054 4.587 ( -0.997 3.177 1.127) 3.516 4.686 ( -1.416 -0.999 -1.098) 2.051 4.786 ( 4.298 3.547 -2.648) 6.170 5.012 ( -2.492 2.731 0.302) 3.709 5.184 ( 0.157 5.422 -0.765) 5.478 5.241 ( -3.279 0.020 4.320) 5.424 5.486 ( -0.640 4.011 -2.327) 4.681 5.660 ( -0.095 3.384 -1.905) 3.884 5.849 ( 0.368 -3.353 -2.272) 4.067 5.942 ( -2.170 0.624 2.112) 3.092 6.109 ( -1.530 -2.771 0.262) 3.176 6.183 ( -2.045 -0.583 1.372) 2.531 6.233 ( 4.377 3.659 2.745) 6.331 6.582 ( -1.732 4.922 -1.620) 5.463 6.908 ( 4.540 5.028 3.806) 7.771 7.355 ( -7.541 3.402 -6.812) 10.717 7.625 ( 0.993 4.387 1.684) 4.802 8.152 ( -3.116 -3.087 -3.048) 5.341 8.356 ( 3.195 -3.210 1.608) 4.806 8.450 ( -1.403 -1.193 1.290) 2.248 8.485 ( -1.398 -0.324 1.157) 1.843 8.977 ( -0.927 -11.444 -0.163) 11.483 8.999 ( -2.090 -12.629 2.113) 12.974 9.281 ( -0.201 -1.910 -0.573) 2.004 9.397 ( 1.503 -1.134 -3.153) 3.672 9.612 ( -2.033 1.047 3.323) 4.034 9.961 ( -3.347 2.167 4.299) 5.863 10.099 ( -2.299 1.415 -4.109) 4.916 10.294 ( -2.040 2.356 -2.368) 3.914 10.475 ( -1.073 -2.187 -2.655) 3.603 10.535 ( -4.647 1.903 -1.256) 5.176 10.582 ( -0.263 0.062 2.569) 2.584 10.800 ( -0.473 -1.134 -1.770) 2.155 10.897 ( -3.472 -1.137 4.318) 5.656 11.208 ( 6.011 -2.589 0.077) 6.546 11.625 ( -1.741 5.939 -3.781) 7.252 11.962 ( 7.198 5.469 6.354) 11.050 12.322 ( 2.247 -2.274 -0.321) 3.213 12.391 ( 3.114 -2.091 -0.697) 3.815 13.017 ( -1.861 -1.618 0.362) 2.493 13.066 ( -0.341 0.254 -1.494) 1.554 13.594 ( -1.849 -1.020 0.501) 2.170 13.643 ( 0.184 -1.490 1.619) 2.207 13.842 ( 0.321 -1.107 -1.900) 2.222 13.931 ( 3.623 -4.395 2.770) 6.334 14.366 ( 1.182 -6.468 1.907) 6.846 14.645 ( 5.228 -10.897 -4.099) 12.762 14.702 ( 3.180 1.938 -9.609) 10.306 14.867 ( 5.557 -3.267 2.682) 6.982 15.915 ( -3.196 19.946 1.760) 20.277 16.184 ( -3.440 15.521 3.303) 16.237 17.914 ( -1.063 -0.449 -0.059) 1.156 17.926 ( -0.565 0.346 0.101) 0.670 ======================= Grid point 141 (52/168) ======================= q-point: ( 0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.518 -1.401 0.716) 1.657 1.520 ( 8.039 -4.794 -2.671) 9.733 1.680 ( 11.293 -2.126 5.682) 12.820 1.781 ( 4.586 -5.591 3.276) 7.939 1.888 ( 5.930 -4.507 2.922) 8.001 2.173 ( 1.224 2.419 0.014) 2.711 2.274 ( -1.658 -2.379 1.365) 3.205 2.416 ( -6.179 2.848 -1.718) 7.017 2.690 ( -2.142 -2.593 -0.508) 3.401 2.733 ( 0.406 -9.610 2.350) 9.902 3.076 ( -1.232 -2.483 -4.254) 5.078 3.110 ( 0.824 -1.446 -0.788) 1.841 3.206 ( -3.502 5.820 -2.947) 7.405 3.349 ( 0.287 -0.503 -6.430) 6.456 3.368 ( 4.631 -2.661 0.218) 5.345 3.628 ( 1.307 1.729 5.443) 5.859 3.936 ( -2.377 -2.178 -1.865) 3.725 4.213 ( -3.300 2.084 1.300) 4.114 4.426 ( -0.942 1.846 1.629) 2.636 4.519 ( -0.790 4.582 -0.850) 4.726 4.685 ( -3.679 -1.380 0.309) 3.941 4.743 ( 4.856 3.314 -3.482) 6.833 4.978 ( -0.016 -0.508 -1.253) 1.352 5.090 ( -0.052 5.345 2.156) 5.764 5.261 ( -1.866 -2.029 4.237) 5.055 5.396 ( -0.670 4.795 -0.434) 4.861 5.607 ( 0.246 1.547 -3.156) 3.524 5.825 ( -1.575 0.276 -1.844) 2.440 5.989 ( -2.871 -3.235 0.882) 4.414 6.062 ( -3.030 3.167 -5.148) 6.761 6.236 ( 3.905 -3.273 0.803) 5.159 6.283 ( 5.660 1.748 6.216) 8.586 6.507 ( -0.288 1.166 2.782) 3.030 6.906 ( 5.178 2.362 5.790) 8.119 7.223 ( -6.690 1.772 -6.618) 9.576 7.569 ( -0.560 2.696 -0.451) 2.790 8.135 ( -3.743 -0.849 -4.679) 6.052 8.403 ( 1.045 -0.163 -0.237) 1.083 8.451 ( -0.563 0.068 -0.480) 0.743 8.524 ( 1.166 -2.102 5.120) 5.656 9.120 ( -1.177 -6.385 -1.342) 6.630 9.170 ( 0.924 -6.612 1.442) 6.830 9.314 ( -0.106 -2.468 -0.719) 2.573 9.419 ( -0.287 -2.464 -1.052) 2.695 9.614 ( -1.538 -0.904 3.305) 3.756 9.897 ( -5.545 2.786 3.257) 7.009 10.071 ( 1.559 -0.440 -4.644) 4.918 10.252 ( -0.470 0.674 0.180) 0.842 10.441 ( -2.813 2.865 -2.529) 4.745 10.491 ( -0.228 -0.312 -1.272) 1.330 10.598 ( 1.327 0.161 1.577) 2.067 10.819 ( -1.543 -2.900 -2.129) 3.915 10.919 ( -5.180 -2.693 4.523) 7.386 11.279 ( 4.488 -0.806 0.173) 4.563 11.504 ( -3.161 3.984 -2.572) 5.698 11.951 ( 5.350 5.078 6.108) 9.577 12.351 ( 0.378 -0.837 -1.699) 1.931 12.458 ( 5.169 -1.676 0.314) 5.443 13.032 ( -2.434 -1.950 0.220) 3.126 13.049 ( -0.724 0.297 -1.517) 1.707 13.600 ( -1.263 -0.717 1.324) 1.965 13.673 ( 0.050 -1.099 1.462) 1.829 13.847 ( -0.877 -0.933 -1.982) 2.359 14.040 ( 2.454 -3.197 4.020) 5.692 14.444 ( -0.667 -1.263 -1.104) 1.805 14.602 ( -2.894 -0.565 -6.548) 7.181 14.873 ( 12.403 -5.333 -6.979) 15.198 14.988 ( 4.643 -5.556 -0.245) 7.245 15.579 ( -2.077 17.665 1.605) 17.859 15.957 ( -3.927 9.893 6.485) 12.464 17.916 ( -0.642 -0.447 0.099) 0.789 17.918 ( -0.367 0.194 0.041) 0.417 ======================= Grid point 142 (53/168) ======================= q-point: (-0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.817 -0.318 1.925) 2.115 1.610 ( 5.104 -0.534 -0.956) 5.220 1.784 ( 8.390 2.233 4.365) 9.717 1.895 ( 1.609 -3.521 -1.221) 4.059 1.997 ( 5.936 0.414 4.387) 7.392 2.145 ( 2.385 1.856 1.347) 3.308 2.263 ( -3.741 4.622 -2.553) 6.471 2.324 ( -2.892 -2.689 2.283) 4.561 2.707 ( -4.743 -3.962 -4.889) 7.880 2.862 ( -0.985 -3.633 -0.322) 3.778 3.015 ( -2.063 2.804 0.073) 3.482 3.047 ( -2.226 6.889 -1.214) 7.341 3.193 ( 1.835 -3.156 -7.616) 8.446 3.335 ( -2.300 -0.651 1.440) 2.791 3.429 ( 2.120 -0.434 1.239) 2.493 3.639 ( 2.605 0.281 1.621) 3.081 3.983 ( -2.815 -6.597 1.190) 7.270 4.205 ( 0.137 -1.180 3.108) 3.328 4.362 ( -2.013 5.346 -2.519) 6.243 4.433 ( -0.319 2.178 -1.071) 2.448 4.676 ( -2.511 -0.683 -2.709) 3.756 4.733 ( 2.216 0.310 0.339) 2.263 4.983 ( 0.868 1.227 -1.491) 2.117 5.034 ( -0.382 1.925 1.371) 2.394 5.308 ( -4.052 -4.520 3.838) 7.182 5.356 ( 4.204 1.844 3.672) 5.879 5.583 ( 0.362 -0.016 -3.166) 3.186 5.805 ( -1.425 -0.121 -2.865) 3.202 5.934 ( -2.961 4.640 -3.072) 6.303 6.008 ( -4.550 -1.445 0.603) 4.812 6.239 ( 1.707 6.551 -1.070) 6.854 6.336 ( 5.943 -2.577 0.670) 6.512 6.595 ( 3.431 -4.458 7.830) 9.641 6.962 ( 5.642 0.067 7.336) 9.255 7.133 ( -4.665 -0.459 -6.600) 8.095 7.522 ( -1.694 0.951 -2.403) 3.090 8.097 ( -2.406 -0.553 -4.350) 5.002 8.395 ( -0.279 0.835 -0.474) 1.000 8.446 ( -0.139 0.262 0.723) 0.781 8.591 ( 1.571 -1.695 3.206) 3.952 9.155 ( 0.473 -0.046 -1.569) 1.640 9.265 ( 2.305 -2.278 0.819) 3.342 9.344 ( 0.433 -1.911 -2.063) 2.845 9.453 ( -1.223 -0.772 1.697) 2.230 9.644 ( -2.599 -2.762 2.482) 4.532 9.830 ( -4.301 1.895 2.146) 5.166 10.081 ( 2.836 -1.581 -5.504) 6.390 10.270 ( 0.275 -1.767 3.337) 3.786 10.369 ( -1.681 1.688 -2.313) 3.320 10.492 ( 1.743 0.424 -0.779) 1.956 10.608 ( 2.156 0.416 -0.713) 2.309 10.843 ( -1.910 -2.548 -2.088) 3.808 10.939 ( -5.564 -1.802 5.016) 7.705 11.305 ( 1.703 0.936 0.593) 2.032 11.421 ( -4.059 1.242 -1.344) 4.453 11.939 ( 3.128 3.200 4.830) 6.584 12.348 ( 0.250 0.455 -1.505) 1.592 12.521 ( 5.323 -0.605 -0.167) 5.360 13.032 ( -1.051 0.098 -1.338) 1.704 13.045 ( -2.652 -1.841 0.080) 3.229 13.610 ( -0.465 -0.335 1.533) 1.636 13.696 ( 0.731 -0.357 1.711) 1.894 13.842 ( -2.008 -0.773 -1.345) 2.538 14.091 ( -1.564 0.367 3.777) 4.105 14.411 ( -0.082 1.963 -1.409) 2.418 14.588 ( -4.308 -1.668 -2.704) 5.352 14.940 ( 13.010 4.363 -11.410) 17.846 15.085 ( 3.920 0.085 -6.475) 7.570 15.368 ( -0.043 3.420 5.957) 6.869 15.866 ( -5.392 0.698 8.505) 10.094 17.917 ( 0.033 -0.292 -0.025) 0.295 17.919 ( -0.240 -0.315 0.125) 0.416 ======================= Grid point 143 (54/168) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.888 3.060 2.194) 3.868 1.596 ( 2.426 5.718 0.217) 6.215 1.753 ( 3.885 8.486 -1.119) 9.400 1.898 ( -2.089 1.688 -2.079) 3.396 1.989 ( 4.048 6.491 4.772) 9.016 2.107 ( -2.529 5.737 -3.292) 7.082 2.208 ( 2.145 -1.737 5.280) 5.958 2.445 ( 0.813 -9.662 2.014) 9.903 2.688 ( -7.511 -2.286 -8.104) 11.283 2.817 ( -1.231 4.601 -0.430) 4.783 2.912 ( -0.126 5.104 2.567) 5.714 3.036 ( 1.443 -1.312 0.596) 2.039 3.208 ( 1.809 -0.946 -4.271) 4.734 3.278 ( -3.277 5.820 -0.235) 6.683 3.427 ( -1.919 0.312 1.526) 2.472 3.693 ( 2.789 -2.394 -0.275) 3.686 4.093 ( -2.701 -6.060 1.418) 6.785 4.225 ( -1.948 4.058 1.013) 4.614 4.282 ( -0.183 -3.305 2.005) 3.870 4.426 ( 1.975 -1.805 -2.699) 3.801 4.655 ( 0.955 0.073 -4.326) 4.431 4.750 ( -1.190 -1.060 1.391) 2.115 4.934 ( -0.309 2.759 0.053) 2.776 5.028 ( -1.390 -0.683 1.352) 2.055 5.385 ( -0.056 -0.946 6.443) 6.512 5.423 ( 3.784 -5.822 -0.113) 6.945 5.581 ( 0.815 -0.856 -1.575) 1.969 5.779 ( -2.176 0.481 -1.327) 2.594 5.829 ( -1.197 2.656 -5.499) 6.223 6.018 ( -3.234 -2.204 4.227) 5.760 6.122 ( -0.350 6.151 -1.732) 6.400 6.411 ( 4.264 -1.275 0.100) 4.451 6.701 ( 1.115 -1.507 2.953) 3.498 7.035 ( 4.356 0.096 3.747) 5.747 7.124 ( -0.960 -4.072 -2.764) 5.014 7.497 ( -1.609 -1.422 -2.351) 3.184 8.083 ( 0.128 -0.664 -2.209) 2.310 8.372 ( -0.784 1.222 -0.127) 1.458 8.446 ( 0.056 0.237 0.880) 0.913 8.632 ( 0.609 -1.073 0.809) 1.476 9.146 ( 2.702 1.811 0.435) 3.282 9.286 ( 1.248 1.325 -0.709) 1.953 9.369 ( 2.511 0.313 -1.547) 2.966 9.421 ( -0.802 3.543 1.875) 4.088 9.683 ( -5.502 -4.152 1.665) 7.091 9.788 ( -1.705 1.417 1.947) 2.951 10.122 ( 4.124 -3.271 -5.506) 7.618 10.326 ( -4.093 -4.163 -1.456) 6.017 10.354 ( 4.801 0.084 2.596) 5.459 10.489 ( 1.033 1.151 -0.764) 1.725 10.622 ( 4.328 0.100 -1.153) 4.480 10.846 ( -4.514 -0.794 0.729) 4.641 10.941 ( -2.627 -0.192 3.216) 4.157 11.266 ( -2.373 3.784 0.388) 4.483 11.399 ( -3.527 -2.748 0.020) 4.471 11.941 ( 0.922 0.703 3.068) 3.280 12.326 ( 0.366 1.763 -0.908) 2.016 12.558 ( 4.973 0.627 -1.255) 5.167 13.018 ( -1.285 -0.145 -0.842) 1.543 13.052 ( -2.426 -1.335 -0.142) 2.773 13.615 ( 0.068 0.429 1.243) 1.317 13.712 ( 1.704 0.656 1.806) 2.569 13.829 ( -2.999 -0.470 -0.249) 3.046 14.047 ( -4.876 2.949 3.068) 6.472 14.383 ( 2.178 3.401 2.583) 4.794 14.531 ( -5.534 1.882 -4.403) 7.318 14.843 ( 9.845 10.012 -10.135) 17.317 14.986 ( -0.500 6.256 -2.370) 6.708 15.541 ( 4.628 -14.716 1.570) 15.506 15.906 ( -4.748 -5.056 5.989) 9.164 17.922 ( 0.005 -0.148 0.021) 0.150 17.930 ( 0.512 -0.874 -0.030) 1.014 ======================= Grid point 144 (55/168) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.089 8.946 0.706) 8.975 1.454 ( -0.546 12.647 1.101) 12.707 1.585 ( 0.785 9.793 -6.446) 11.750 1.757 ( -6.265 10.635 1.670) 12.456 1.931 ( -1.799 4.730 1.559) 5.295 1.989 ( 4.850 7.425 3.272) 9.453 2.248 ( -3.807 3.431 6.101) 7.968 2.520 ( -5.920 -4.985 -16.316) 18.058 2.689 ( 1.342 -0.943 4.088) 4.404 2.789 ( 1.762 -0.085 7.224) 7.436 2.837 ( 2.080 5.835 1.298) 6.329 3.076 ( -0.103 -1.018 -1.935) 2.189 3.106 ( -1.307 4.436 0.015) 4.624 3.259 ( 1.311 -1.639 -1.110) 2.374 3.403 ( -1.544 0.815 1.059) 2.042 3.726 ( 0.338 -0.900 -2.666) 2.834 4.125 ( 1.501 -1.091 -3.329) 3.811 4.171 ( -4.685 1.292 5.281) 7.176 4.380 ( -0.425 -5.881 2.957) 6.596 4.524 ( 3.052 -8.266 -2.894) 9.275 4.642 ( 1.950 1.149 -2.566) 3.422 4.767 ( -2.050 -2.251 -0.160) 3.048 4.926 ( 1.022 -1.617 1.308) 2.318 5.030 ( -2.755 -0.266 2.849) 3.972 5.412 ( -0.543 0.675 4.127) 4.217 5.515 ( 2.631 -1.527 -1.980) 3.629 5.631 ( 4.123 -2.313 0.860) 4.805 5.721 ( -2.297 1.184 -4.517) 5.204 5.812 ( 0.333 -2.200 -1.274) 2.564 6.032 ( -4.363 0.574 2.782) 5.206 6.084 ( 1.104 -3.519 2.670) 4.553 6.450 ( 2.236 -0.437 -0.519) 2.337 6.693 ( -1.740 1.048 -2.603) 3.302 7.052 ( 0.337 0.460 -2.954) 3.009 7.196 ( 1.349 -3.704 1.274) 4.143 7.535 ( 0.341 -3.945 0.705) 4.022 8.095 ( 1.853 0.014 0.532) 1.928 8.338 ( -1.119 2.032 0.417) 2.357 8.449 ( 0.531 -0.129 0.418) 0.688 8.649 ( 0.129 -0.756 -0.939) 1.213 9.143 ( 3.532 2.952 2.047) 5.038 9.204 ( -0.337 8.993 0.396) 9.008 9.329 ( 0.549 2.200 -1.858) 2.931 9.407 ( 4.204 1.484 -1.173) 4.610 9.705 ( -7.638 -3.553 2.647) 8.830 9.779 ( 0.126 -0.371 1.172) 1.236 10.205 ( 5.915 -4.670 -5.173) 9.141 10.344 ( -2.384 -3.898 -6.117) 7.635 10.437 ( 4.303 -2.218 4.964) 6.934 10.464 ( 0.898 2.224 0.675) 2.491 10.663 ( 4.985 -0.855 -0.423) 5.075 10.805 ( -6.501 1.537 4.266) 7.926 10.931 ( -0.011 1.989 0.638) 2.089 11.161 ( -5.579 4.661 0.482) 7.286 11.456 ( -2.078 -6.437 0.734) 6.803 11.953 ( -1.330 -1.090 0.650) 1.838 12.286 ( 0.364 2.956 -0.076) 2.979 12.565 ( 4.063 1.714 -2.699) 5.171 13.008 ( -1.350 -0.160 -0.154) 1.369 13.050 ( -1.779 -0.482 -0.313) 1.869 13.605 ( 0.133 1.480 0.923) 1.749 13.712 ( 2.192 2.113 1.049) 3.220 13.806 ( -3.814 0.229 0.853) 3.915 13.968 ( -4.310 3.349 3.359) 6.409 14.315 ( -0.823 7.340 1.306) 7.501 14.439 ( -0.139 3.165 -0.713) 3.248 14.713 ( 6.547 7.850 -6.324) 12.020 14.887 ( -3.528 2.463 -1.311) 4.498 15.876 ( 5.586 -18.807 -0.639) 19.630 15.997 ( -4.305 -7.379 2.426) 8.881 17.924 ( 0.094 0.021 0.077) 0.123 17.954 ( 0.819 -1.399 -0.380) 1.665 ======================= Grid point 145 (56/168) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.401 14.818 0.024) 15.012 1.178 ( -5.071 16.982 0.083) 17.723 1.389 ( 1.030 12.168 -3.234) 12.632 1.522 ( -7.744 10.031 2.318) 12.883 1.773 ( 1.048 14.367 4.631) 15.131 1.923 ( -1.783 8.987 -0.178) 9.164 2.075 ( -6.453 9.476 7.276) 13.579 2.488 ( -4.155 2.172 -6.850) 8.301 2.628 ( -2.054 -1.117 -7.603) 7.954 2.778 ( 6.280 4.725 5.289) 9.473 2.886 ( 2.112 -1.477 1.070) 2.790 3.036 ( 1.789 2.497 0.819) 3.179 3.162 ( 2.327 -4.729 1.647) 5.522 3.280 ( -1.605 -1.843 3.598) 4.349 3.434 ( 0.865 -3.949 -0.853) 4.131 3.723 ( -0.609 -1.726 -5.244) 5.554 4.125 ( -3.617 1.226 3.507) 5.185 4.185 ( 2.752 -3.704 -1.756) 4.938 4.477 ( -1.222 -4.134 2.767) 5.122 4.611 ( 0.610 1.449 -0.968) 1.846 4.669 ( 3.259 -4.195 -2.644) 5.933 4.791 ( -2.450 -3.417 -1.213) 4.376 5.025 ( 2.537 -7.148 2.748) 8.068 5.038 ( -2.937 -2.498 3.344) 5.104 5.383 ( -2.892 2.920 3.108) 5.153 5.526 ( 2.499 1.663 0.382) 3.026 5.645 ( 3.434 1.447 -5.859) 6.944 5.725 ( 0.315 -3.027 -1.676) 3.474 5.867 ( 0.556 -2.830 1.442) 3.225 6.048 ( -3.738 -2.829 8.067) 9.330 6.203 ( 1.729 -8.215 0.216) 8.398 6.457 ( 0.715 0.458 -1.472) 1.700 6.653 ( -1.663 -0.301 -2.732) 3.212 7.008 ( -2.900 -0.270 -7.232) 7.797 7.272 ( 2.573 -1.835 4.457) 5.464 7.623 ( 1.018 -4.613 1.624) 4.995 8.104 ( 1.589 1.579 2.165) 3.116 8.289 ( -1.201 2.905 0.472) 3.178 8.462 ( 0.954 -0.336 0.132) 1.020 8.650 ( -0.053 -0.089 -2.078) 2.081 8.975 ( -0.048 15.224 1.589) 15.307 9.150 ( -0.841 1.492 1.838) 2.513 9.286 ( 3.610 3.227 -5.849) 7.593 9.392 ( 3.827 3.295 -2.376) 5.581 9.732 ( -5.256 -4.066 4.438) 7.991 9.806 ( -0.591 -2.699 0.081) 2.764 10.308 ( 6.484 -3.417 -6.001) 9.473 10.357 ( -3.520 -4.279 -4.717) 7.277 10.456 ( 3.807 1.514 3.097) 5.136 10.532 ( 3.986 -2.423 4.250) 6.310 10.711 ( 0.103 -0.682 2.694) 2.781 10.760 ( 0.415 1.302 3.175) 3.457 10.864 ( -1.438 4.985 -0.241) 5.194 11.034 ( -8.678 4.227 0.891) 9.693 11.594 ( 0.780 -9.879 0.679) 9.933 11.956 ( -2.906 -1.619 -2.175) 3.974 12.234 ( -0.007 3.570 0.948) 3.694 12.536 ( 2.105 2.761 -4.215) 5.461 13.000 ( -0.904 0.095 0.503) 1.039 13.038 ( -0.862 0.390 -0.278) 0.986 13.576 ( -0.125 2.496 0.821) 2.631 13.679 ( 1.163 3.603 -0.430) 3.811 13.773 ( -3.141 1.009 1.807) 3.762 13.906 ( -2.150 2.681 2.229) 4.096 14.164 ( -1.421 9.105 1.724) 9.375 14.410 ( 3.241 3.075 3.569) 5.718 14.621 ( 4.855 5.433 -5.748) 9.280 14.834 ( -3.598 -0.386 -2.220) 4.246 16.106 ( -4.342 -9.217 3.376) 10.733 16.242 ( 3.825 -19.549 -1.736) 19.995 17.923 ( 0.117 0.181 0.179) 0.280 17.982 ( 0.672 -1.551 -1.186) 2.065 ======================= Grid point 146 (57/168) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 5.699 16.183 5.461) 18.005 0.838 ( -5.386 17.465 4.274) 18.769 1.170 ( 1.748 14.735 7.183) 16.486 1.341 ( -5.449 5.344 -3.402) 8.356 1.508 ( 1.940 22.997 15.874) 28.010 1.663 ( -4.682 13.769 1.691) 14.641 1.942 ( -2.453 4.531 -8.926) 10.307 2.421 ( -0.878 -0.346 2.469) 2.643 2.619 ( -2.969 -2.858 -5.958) 7.244 2.797 ( 7.518 2.293 0.853) 7.906 2.883 ( 3.844 2.976 -2.774) 5.597 3.042 ( 2.543 0.107 4.843) 5.471 3.258 ( 2.620 -1.779 3.344) 4.606 3.351 ( -4.599 -7.255 2.869) 9.056 3.499 ( -1.421 -4.710 -4.419) 6.613 3.727 ( -0.826 -2.307 -7.327) 7.726 4.100 ( -4.024 -0.906 2.831) 5.003 4.274 ( 4.474 -3.895 -1.813) 6.203 4.514 ( -1.517 0.155 3.692) 3.994 4.583 ( 0.702 2.084 1.507) 2.666 4.691 ( 1.072 0.734 -1.754) 2.183 4.840 ( -1.347 -3.565 -0.251) 3.819 5.107 ( -2.164 -6.012 1.814) 6.642 5.211 ( 3.303 -9.397 2.237) 10.209 5.319 ( -4.138 2.329 2.120) 5.200 5.500 ( 4.025 5.178 0.411) 6.572 5.642 ( 2.092 -1.541 -4.413) 5.121 5.769 ( 0.872 -3.167 -2.549) 4.158 5.902 ( -0.842 -0.016 2.384) 2.529 6.102 ( -5.064 -1.405 8.837) 10.282 6.379 ( 1.716 -9.802 -1.613) 10.081 6.438 ( -0.350 0.269 -1.772) 1.827 6.680 ( 0.111 -5.365 3.026) 6.161 6.987 ( -2.870 -4.279 -5.767) 7.734 7.353 ( 5.129 -1.408 8.082) 9.675 7.711 ( 0.023 -4.718 0.682) 4.767 8.080 ( 0.401 3.372 1.729) 3.811 8.228 ( -1.447 2.946 -0.609) 3.338 8.472 ( 0.732 0.107 0.259) 0.784 8.621 ( -0.954 2.540 -3.140) 4.149 8.720 ( 0.300 14.809 2.800) 15.074 9.042 ( -8.046 8.256 -7.276) 13.633 9.248 ( 8.034 2.781 -3.964) 9.380 9.341 ( 2.141 3.685 -2.550) 4.966 9.782 ( -7.376 -4.957 3.211) 9.449 9.884 ( 4.069 -4.924 0.587) 6.415 10.332 ( -0.983 -1.165 -3.679) 3.982 10.405 ( 0.283 -3.118 -0.515) 3.173 10.509 ( 3.246 -1.819 3.075) 4.827 10.617 ( 3.034 -1.750 4.092) 5.386 10.721 ( 3.160 1.407 5.134) 6.191 10.749 ( -1.731 3.877 -0.027) 4.245 10.822 ( 1.276 -2.505 0.711) 2.899 10.888 ( -6.582 5.350 0.287) 8.487 11.781 ( 1.224 -9.872 -0.378) 9.954 11.947 ( -2.250 -1.957 -4.169) 5.126 12.182 ( -0.686 2.645 1.889) 3.322 12.459 ( -0.751 4.405 -4.999) 6.705 12.995 ( -0.111 0.446 0.667) 0.810 13.027 ( 0.973 0.648 -0.009) 1.169 13.530 ( -0.133 3.051 0.665) 3.126 13.612 ( 0.850 4.360 -1.617) 4.727 13.744 ( -1.722 1.294 1.966) 2.917 13.862 ( -1.019 1.772 0.445) 2.092 14.024 ( 0.976 8.338 3.545) 9.113 14.409 ( 0.297 2.173 5.190) 5.634 14.510 ( 6.606 9.456 -10.367) 15.509 14.819 ( -0.797 -1.504 -3.887) 4.244 16.306 ( -4.791 -16.629 10.217) 20.097 16.566 ( 1.407 -16.327 -0.626) 16.399 17.922 ( 0.147 0.271 0.346) 0.463 17.997 ( -0.211 -0.611 -2.459) 2.542 ======================= Grid point 149 (58/168) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 10.619 0.000 11.078) 15.346 1.039 ( 9.224 0.000 1.026) 9.281 1.294 ( 13.499 0.000 10.704) 17.228 1.341 ( 9.505 0.000 -2.899) 9.938 1.606 ( 21.627 0.000 14.209) 25.877 1.629 ( 3.028 0.000 -9.785) 10.243 2.047 ( 18.911 0.000 17.153) 25.532 2.117 ( -3.106 -0.000 -16.661) 16.948 2.511 ( -6.448 -0.000 -7.821) 10.136 2.737 ( -0.661 -0.000 -5.045) 5.088 3.030 ( -7.415 -0.000 1.894) 7.653 3.161 ( 0.363 0.000 1.428) 1.473 3.240 ( -4.681 -0.000 -2.146) 5.150 3.266 ( -0.659 -0.000 2.028) 2.132 3.485 ( -1.341 -0.000 -3.859) 4.085 3.491 ( 0.912 0.000 -2.110) 2.299 4.318 ( 4.302 0.000 1.864) 4.689 4.394 ( -1.448 -0.000 3.224) 3.534 4.424 ( -5.193 -0.000 -2.501) 5.764 4.660 ( 2.813 0.000 4.995) 5.732 4.677 ( -2.736 -0.000 2.216) 3.521 4.875 ( 1.613 0.000 -2.465) 2.946 5.171 ( -4.861 -0.000 3.150) 5.792 5.201 ( -0.031 -0.000 -4.745) 4.745 5.381 ( -0.877 -0.000 -4.118) 4.210 5.554 ( 6.633 0.000 1.962) 6.918 5.663 ( -3.404 -0.000 -0.277) 3.415 5.745 ( -4.569 -0.000 -0.450) 4.591 5.978 ( -3.071 -0.000 0.276) 3.083 6.008 ( 4.017 0.000 7.749) 8.729 6.328 ( -5.148 -0.000 0.636) 5.187 6.457 ( -1.011 -0.000 -4.105) 4.227 7.037 ( -4.714 -0.000 -0.758) 4.775 7.046 ( -2.962 -0.000 -0.200) 2.968 7.698 ( -6.426 -0.000 -8.102) 10.341 7.827 ( 5.225 0.000 8.010) 9.563 7.894 ( -6.863 -0.000 -5.599) 8.857 8.113 ( 0.648 0.000 6.555) 6.587 8.334 ( -0.322 -0.000 -1.509) 1.543 8.338 ( 0.522 0.000 1.831) 1.904 8.515 ( 1.248 0.000 -0.100) 1.252 8.530 ( -2.176 -0.000 0.620) 2.262 9.218 ( -0.214 -0.000 -1.365) 1.382 9.388 ( 5.150 0.000 -3.062) 5.991 9.768 ( -4.839 -0.000 2.467) 5.432 9.917 ( -2.987 -0.000 -1.191) 3.216 10.217 ( -7.715 -0.000 0.801) 7.757 10.319 ( -1.820 -0.000 0.971) 2.063 10.535 ( -3.924 -0.000 -3.370) 5.173 10.563 ( -10.986 -0.000 0.321) 10.991 10.713 ( -5.096 -0.000 -4.163) 6.580 10.738 ( 4.244 0.000 3.797) 5.695 10.976 ( 0.291 0.000 0.545) 0.617 11.006 ( 7.178 0.000 0.759) 7.218 11.934 ( 6.187 0.000 -7.389) 9.638 11.976 ( 5.685 0.000 3.736) 6.803 12.261 ( 1.169 0.000 -0.856) 1.449 12.267 ( 4.504 0.000 3.346) 5.611 13.007 ( -0.624 -0.000 0.196) 0.654 13.064 ( -1.266 -0.000 -0.215) 1.284 13.530 ( 1.605 0.000 -1.267) 2.045 13.620 ( 2.185 0.000 3.168) 3.848 13.735 ( 3.165 0.000 2.552) 4.066 13.804 ( 0.710 0.000 -1.710) 1.852 14.018 ( 0.729 0.000 -3.050) 3.136 14.071 ( 7.850 0.000 2.569) 8.260 14.743 ( 8.607 0.000 6.313) 10.674 14.857 ( 5.343 0.000 -12.347) 13.454 16.706 ( -9.534 -0.000 0.060) 9.534 16.777 ( -7.437 -0.000 4.554) 8.721 17.901 ( -1.370 -0.000 -0.356) 1.416 17.932 ( -0.073 -0.000 0.553) 0.558 ======================= Grid point 150 (59/168) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 9.071 -1.837 5.750) 10.896 1.175 ( 13.776 -4.269 -0.640) 14.437 1.379 ( 10.673 1.139 2.322) 10.982 1.494 ( 13.618 -3.000 8.221) 16.187 1.636 ( 5.573 -1.096 -4.713) 7.381 1.886 ( 18.307 -5.722 13.271) 23.324 2.065 ( -2.474 -4.736 -11.163) 12.376 2.250 ( 7.090 -2.444 6.458) 9.897 2.424 ( -5.799 -0.298 -4.742) 7.497 2.736 ( -3.232 -4.248 -6.368) 8.309 3.023 ( -1.474 -3.270 1.131) 3.761 3.057 ( -1.896 7.082 -10.999) 13.219 3.204 ( -1.520 -0.167 3.145) 3.496 3.304 ( -0.914 -1.277 3.124) 3.497 3.471 ( -0.711 -0.268 3.583) 3.663 3.534 ( 1.872 -3.585 -2.800) 4.919 4.186 ( 1.079 11.531 3.132) 11.997 4.352 ( -4.891 2.065 -3.863) 6.566 4.513 ( 2.317 -4.448 2.749) 5.720 4.659 ( -3.744 0.096 1.355) 3.983 4.688 ( 2.744 2.533 4.369) 5.748 4.866 ( 2.143 1.150 -1.985) 3.139 5.130 ( -5.640 1.758 3.729) 6.986 5.178 ( 0.260 0.489 -3.965) 4.004 5.336 ( -1.914 1.348 -1.509) 2.785 5.588 ( -1.948 1.382 -1.512) 2.827 5.658 ( 5.020 -2.952 -1.171) 5.940 5.757 ( -4.759 -3.685 0.835) 6.076 5.964 ( -4.919 0.163 3.080) 5.806 6.030 ( 3.026 3.023 4.316) 6.077 6.273 ( -4.628 1.570 1.063) 5.002 6.410 ( -0.302 3.470 -3.689) 5.073 6.811 ( -3.282 11.411 -2.049) 12.049 7.078 ( -1.181 1.382 2.256) 2.897 7.528 ( -7.390 6.365 -9.376) 13.530 7.787 ( -1.638 3.857 -1.302) 4.388 7.967 ( 0.719 -6.623 2.941) 7.283 8.197 ( 1.367 -5.254 4.428) 7.006 8.377 ( -0.407 -2.634 2.179) 3.442 8.441 ( -0.856 -7.557 -1.826) 7.822 8.507 ( -1.180 -5.300 0.094) 5.431 8.613 ( -1.211 -8.024 0.833) 8.158 9.226 ( 1.077 -0.980 -0.695) 1.614 9.405 ( 4.290 0.775 -2.829) 5.197 9.700 ( -3.394 3.793 2.220) 5.553 9.933 ( -3.170 -3.457 -0.634) 4.733 10.157 ( -6.172 1.070 0.329) 6.273 10.309 ( -4.983 -1.031 -0.785) 5.149 10.452 ( -4.949 1.519 -3.073) 6.020 10.501 ( -6.873 -1.554 -1.747) 7.260 10.635 ( -3.009 2.169 -0.769) 3.788 10.794 ( 2.787 -0.220 1.760) 3.304 10.951 ( -3.030 2.257 3.072) 4.869 11.092 ( 5.806 -3.253 0.467) 6.672 11.875 ( 5.520 7.406 -5.311) 10.655 12.073 ( 8.884 -0.812 2.420) 9.243 12.271 ( 3.021 -0.241 0.586) 3.087 12.338 ( 5.816 -0.364 3.335) 6.714 12.993 ( -1.520 0.471 0.555) 1.686 13.057 ( -1.986 -0.765 -0.849) 2.291 13.543 ( 0.145 -1.222 -1.128) 1.669 13.631 ( -0.251 0.823 3.538) 3.641 13.803 ( 3.601 -2.641 2.462) 5.099 13.813 ( 2.293 -0.533 -2.133) 3.176 14.086 ( 0.167 -7.924 -2.513) 8.315 14.222 ( 8.450 -8.881 1.691) 12.375 14.805 ( 2.060 2.059 -14.022) 14.321 14.837 ( 7.154 0.257 7.642) 10.471 16.522 ( -6.893 12.349 -0.313) 14.146 16.663 ( -5.584 9.396 4.062) 11.661 17.895 ( -1.452 -0.579 -0.342) 1.600 17.933 ( -0.301 0.023 0.387) 0.491 ======================= Grid point 151 (60/168) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.018 0.603 0.303) 7.051 1.347 ( 13.374 -3.845 -1.729) 14.022 1.516 ( 12.617 -5.389 -1.227) 13.775 1.672 ( 9.571 -1.506 7.466) 12.232 1.728 ( 8.867 -3.907 4.828) 10.826 2.086 ( 0.377 -6.022 -4.814) 7.719 2.211 ( 9.171 -6.123 13.330) 17.300 2.306 ( -2.554 -4.105 -1.763) 5.146 2.406 ( -5.076 -4.059 0.465) 6.516 2.764 ( -2.609 -4.469 -7.315) 8.960 2.853 ( -4.138 4.843 -7.883) 10.135 3.141 ( 3.772 -6.818 -4.622) 9.059 3.205 ( -0.374 0.815 1.707) 1.928 3.305 ( -1.652 0.685 1.401) 2.272 3.465 ( 0.685 1.788 -2.563) 3.200 3.621 ( 2.235 -2.947 5.146) 6.337 4.026 ( 0.525 8.995 1.830) 9.194 4.258 ( -5.659 1.614 -2.677) 6.465 4.550 ( -0.018 3.381 3.805) 5.090 4.645 ( -2.187 -0.680 1.051) 2.520 4.661 ( 1.894 3.455 0.681) 3.999 4.857 ( 3.523 1.945 -0.957) 4.137 5.047 ( -4.781 4.036 1.221) 6.375 5.171 ( -0.652 -1.429 -2.780) 3.193 5.291 ( -1.755 2.547 1.130) 3.294 5.530 ( -0.343 2.779 -2.718) 3.903 5.737 ( -1.285 4.181 1.315) 4.567 5.760 ( 2.250 -5.287 -1.881) 6.046 5.938 ( -5.387 -1.211 4.703) 7.252 6.040 ( -3.530 -1.413 1.165) 3.977 6.182 ( -1.632 3.813 -3.585) 5.482 6.357 ( 5.553 3.118 2.808) 6.960 6.644 ( -2.524 5.559 -1.300) 6.242 7.035 ( 1.431 4.230 3.491) 5.669 7.329 ( -7.606 4.926 -7.875) 12.005 7.696 ( -2.115 4.160 -1.839) 5.016 8.076 ( 0.072 -3.816 0.871) 3.915 8.320 ( 2.553 -5.050 1.940) 5.982 8.421 ( 0.028 -1.802 0.957) 2.040 8.462 ( -2.167 -1.088 1.089) 2.658 8.729 ( -0.550 -16.314 -0.202) 16.324 8.771 ( -2.938 -11.803 0.989) 12.203 9.256 ( 1.745 -1.264 -0.080) 2.156 9.405 ( 2.880 1.066 -2.186) 3.769 9.636 ( -2.060 2.301 2.079) 3.723 9.939 ( -5.664 -0.895 -0.021) 5.735 10.086 ( -3.867 1.535 -1.925) 4.584 10.267 ( -6.654 -0.656 -0.753) 6.728 10.417 ( -1.574 -1.684 -3.112) 3.873 10.491 ( -3.251 -2.173 -1.168) 4.082 10.593 ( -1.328 0.261 0.374) 1.404 10.805 ( 1.577 1.600 0.509) 2.303 10.895 ( -4.887 2.036 4.505) 6.951 11.200 ( 5.032 -3.740 0.805) 6.321 11.741 ( 3.111 9.289 -3.834) 10.519 12.137 ( 8.935 3.752 3.645) 10.353 12.308 ( 2.517 -1.281 -0.826) 2.943 12.403 ( 6.290 -0.445 2.254) 6.697 12.980 ( -2.570 -0.595 0.483) 2.682 13.047 ( -1.974 -0.519 -1.401) 2.475 13.559 ( -0.689 -1.416 -0.598) 1.685 13.637 ( -1.072 -0.392 3.050) 3.256 13.827 ( 2.101 -0.480 -2.488) 3.291 13.902 ( 3.733 -3.891 2.803) 6.077 14.227 ( -0.459 -9.397 -1.937) 9.606 14.489 ( 8.267 -12.517 0.568) 15.011 14.701 ( 0.093 2.391 -13.093) 13.310 14.917 ( 4.995 0.369 8.134) 9.552 16.218 ( -3.817 17.597 -0.674) 18.019 16.434 ( -2.957 14.796 2.828) 15.351 17.894 ( -1.284 -0.737 -0.109) 1.485 17.928 ( -0.543 0.294 0.192) 0.647 ======================= Grid point 152 (61/168) ======================= q-point: ( 0.45 0.18 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 4.782 1.425 -1.056) 5.100 1.502 ( 11.312 -4.193 -3.393) 12.532 1.679 ( 8.443 -5.333 -5.760) 11.528 1.805 ( 8.760 -1.562 8.984) 12.645 1.902 ( 6.879 -4.304 7.775) 11.238 2.161 ( 0.438 -4.175 -2.723) 5.004 2.278 ( -1.420 0.393 4.595) 4.825 2.362 ( -5.136 -2.240 -0.774) 5.656 2.570 ( 0.557 -10.910 8.174) 13.644 2.678 ( -1.385 3.672 -4.791) 6.193 2.883 ( -1.552 -10.817 -7.977) 13.529 3.169 ( -0.653 3.871 1.291) 4.133 3.209 ( -0.414 -0.899 -6.786) 6.858 3.296 ( -2.357 -1.049 1.107) 2.808 3.423 ( 5.746 2.421 -4.061) 7.442 3.679 ( 0.636 0.231 4.968) 5.014 3.922 ( -1.282 3.460 0.194) 3.695 4.198 ( -4.634 -0.070 -0.033) 4.634 4.483 ( -1.669 4.043 2.444) 5.010 4.594 ( -0.172 5.101 1.196) 5.242 4.650 ( -1.704 0.100 -0.340) 1.741 4.833 ( 4.250 4.030 -1.574) 6.065 4.967 ( -2.312 1.029 -0.400) 2.562 5.168 ( 0.405 1.414 -2.707) 3.081 5.244 ( -2.114 1.218 3.814) 4.528 5.464 ( 0.432 3.515 -2.015) 4.075 5.656 ( 1.475 5.077 -0.309) 5.296 5.814 ( -1.480 -0.760 -1.971) 2.579 5.930 ( -2.764 -1.363 2.634) 4.055 6.020 ( -6.915 -1.204 -1.065) 7.100 6.197 ( 5.122 -4.128 -1.908) 6.850 6.390 ( 5.531 1.883 4.310) 7.261 6.552 ( -0.937 2.910 1.852) 3.574 7.012 ( 2.960 2.806 4.931) 6.399 7.171 ( -7.442 2.702 -6.351) 10.150 7.601 ( -2.703 3.558 -2.325) 5.037 8.097 ( -0.691 0.201 -1.741) 1.883 8.402 ( 1.540 -1.397 0.155) 2.085 8.439 ( -0.014 -0.648 -1.015) 1.204 8.500 ( -0.920 -3.470 4.095) 5.446 8.949 ( -1.381 -11.676 -0.649) 11.775 9.003 ( 0.153 -14.248 1.337) 14.311 9.287 ( 1.097 -0.938 0.056) 1.445 9.399 ( 1.160 0.361 -0.818) 1.465 9.606 ( -1.868 0.603 1.460) 2.447 9.877 ( -7.369 0.914 -1.060) 7.501 10.048 ( -1.094 -0.235 -2.236) 2.501 10.230 ( -4.981 -0.652 -0.208) 5.028 10.436 ( -1.576 -3.185 -2.366) 4.269 10.478 ( 0.505 1.988 -0.792) 2.199 10.619 ( 1.816 -2.098 0.670) 2.855 10.778 ( -1.144 1.291 0.484) 1.792 10.866 ( -5.186 -0.714 4.681) 7.023 11.292 ( 3.814 -2.247 0.672) 4.477 11.588 ( 0.740 8.594 -1.929) 8.839 12.120 ( 5.951 6.718 3.402) 9.598 12.339 ( 1.825 -0.860 -1.336) 2.420 12.476 ( 6.328 -1.496 0.204) 6.505 12.977 ( -3.230 -1.557 0.068) 3.587 13.032 ( -2.047 -0.315 -1.322) 2.457 13.576 ( -0.757 -1.480 0.136) 1.668 13.656 ( -1.298 -1.358 2.548) 3.165 13.836 ( 2.063 0.087 -2.210) 3.025 14.013 ( 2.319 -4.208 3.424) 5.900 14.355 ( -1.027 -7.028 -2.546) 7.545 14.559 ( -2.380 1.661 -6.970) 7.550 14.810 ( 11.867 -10.733 -4.202) 16.543 14.987 ( 3.400 -0.965 7.303) 8.113 15.880 ( -1.777 18.840 -1.232) 18.964 16.166 ( -2.952 15.166 2.715) 15.687 17.898 ( -0.924 -0.837 0.096) 1.250 17.919 ( -0.552 0.318 0.012) 0.637 ======================= Grid point 153 (62/168) ======================= q-point: ( 0.55 0.18 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 1.689 0.408 0.315) 1.766 1.623 ( 8.444 -2.625 -3.779) 9.616 1.784 ( 4.092 -4.735 -6.119) 8.752 1.924 ( 6.753 -0.071 7.035) 9.752 2.028 ( 2.595 -2.999 2.858) 4.889 2.192 ( 0.858 0.614 -0.350) 1.112 2.272 ( -2.539 0.643 -1.882) 3.225 2.338 ( -0.693 1.212 6.757) 6.899 2.613 ( -3.805 0.191 -3.944) 5.484 2.744 ( -1.228 -8.165 1.074) 8.327 3.021 ( -0.573 -3.650 -4.148) 5.555 3.101 ( -1.064 1.027 -2.991) 3.336 3.134 ( -0.804 3.304 0.535) 3.443 3.295 ( -2.601 -1.820 0.525) 3.217 3.463 ( 6.825 -0.919 -0.706) 6.922 3.679 ( 0.189 1.940 0.647) 2.054 3.895 ( -2.368 -1.957 2.242) 3.803 4.188 ( -2.226 -1.498 1.847) 3.258 4.431 ( 0.269 2.857 0.957) 3.025 4.479 ( -2.437 6.363 -1.199) 6.919 4.626 ( -3.863 -0.329 0.830) 3.965 4.793 ( 4.482 3.341 -1.833) 5.883 4.972 ( 0.804 -1.682 -1.563) 2.432 5.104 ( 0.216 4.690 0.099) 4.696 5.244 ( -3.687 -0.912 2.570) 4.586 5.431 ( 3.575 0.982 0.847) 3.802 5.591 ( 1.140 2.933 -1.668) 3.561 5.794 ( -0.394 0.665 -1.018) 1.279 5.938 ( -5.623 1.137 -4.405) 7.233 5.965 ( -3.146 -0.884 3.489) 4.781 6.317 ( 5.102 -4.261 -0.474) 6.664 6.357 ( 1.845 5.301 -1.368) 5.777 6.596 ( 3.424 -2.924 6.894) 8.234 7.031 ( 2.266 0.608 5.588) 6.060 7.065 ( -4.747 0.363 -5.867) 7.556 7.516 ( -2.846 2.397 -2.492) 4.478 8.071 ( -0.204 0.634 -2.259) 2.355 8.405 ( -0.370 0.725 0.136) 0.826 8.446 ( -0.204 -0.345 0.255) 0.475 8.570 ( 0.137 -2.944 1.584) 3.345 9.112 ( 2.101 -6.913 -0.703) 7.260 9.209 ( 2.244 -8.009 0.642) 8.342 9.305 ( -0.705 -1.305 -0.325) 1.519 9.413 ( -0.980 -2.014 1.196) 2.540 9.592 ( -3.384 -0.653 0.658) 3.509 9.811 ( -4.739 0.226 -1.450) 4.961 10.041 ( -0.646 -1.144 -3.256) 3.511 10.212 ( -4.696 -2.026 -0.558) 5.145 10.443 ( 3.529 3.397 0.853) 4.972 10.470 ( -0.191 -2.276 -1.287) 2.622 10.660 ( 4.835 1.180 0.313) 4.986 10.770 ( -3.011 -2.317 -0.182) 3.804 10.878 ( -5.754 -2.799 5.429) 8.392 11.335 ( 1.826 0.176 0.303) 1.859 11.456 ( -1.216 6.091 0.258) 6.216 12.054 ( 2.516 5.973 1.561) 6.667 12.354 ( 1.640 -0.034 -1.030) 1.937 12.546 ( 5.861 -1.171 -1.301) 6.117 12.981 ( -3.375 -2.046 -0.545) 3.984 13.016 ( -2.012 -0.345 -0.600) 2.128 13.598 ( -0.441 -1.340 0.557) 1.516 13.685 ( -1.265 -1.816 2.655) 3.456 13.835 ( 2.016 0.780 -1.702) 2.752 14.086 ( -1.500 -1.395 3.341) 3.919 14.415 ( 0.808 -1.997 -0.964) 2.360 14.515 ( -2.478 -1.447 -3.388) 4.440 14.997 ( 9.786 -3.285 -5.444) 11.670 15.099 ( 8.997 -3.556 1.221) 9.751 15.559 ( -1.464 16.149 -0.976) 16.245 15.925 ( -7.043 9.748 4.586) 12.871 17.907 ( -0.540 -0.754 0.082) 0.931 17.912 ( -0.284 -0.098 -0.063) 0.307 ======================= Grid point 154 (63/168) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.393 0.120 2.188) 2.226 1.671 ( 4.513 1.635 -3.154) 5.743 1.833 ( 1.491 -1.241 -7.697) 7.937 1.939 ( 2.002 4.796 0.240) 5.203 2.092 ( 0.696 -0.952 1.953) 2.282 2.150 ( 1.126 2.465 -1.919) 3.321 2.231 ( -0.243 0.893 -0.402) 1.009 2.351 ( -3.170 0.153 1.820) 3.658 2.602 ( 0.399 -2.440 5.189) 5.747 2.843 ( 0.126 -2.973 -0.587) 3.033 2.954 ( -3.442 3.701 -1.211) 5.198 3.041 ( -0.623 1.140 1.034) 1.660 3.164 ( 2.632 -2.462 -5.308) 6.416 3.334 ( -1.406 -0.644 3.870) 4.168 3.467 ( 0.399 4.888 1.034) 5.012 3.668 ( 1.864 -1.790 -2.575) 3.648 3.971 ( -1.960 -6.383 3.795) 7.680 4.225 ( -1.528 -3.184 1.989) 4.053 4.320 ( -1.153 7.497 1.195) 7.679 4.430 ( 2.186 0.619 -2.588) 3.444 4.617 ( -2.881 -1.765 0.029) 3.378 4.770 ( 2.584 2.246 -0.696) 3.494 4.979 ( 0.560 1.534 -1.516) 2.228 5.029 ( -1.348 2.626 0.493) 2.993 5.280 ( -2.933 -5.695 3.098) 7.116 5.476 ( 5.604 -0.198 2.407) 6.103 5.563 ( 0.522 0.392 -1.517) 1.652 5.774 ( -0.784 0.960 0.323) 1.280 5.831 ( -3.358 2.759 -6.236) 7.601 5.987 ( -2.744 -1.471 5.018) 5.905 6.246 ( 1.232 7.529 -0.450) 7.642 6.409 ( 3.604 -2.280 -1.320) 4.465 6.686 ( 0.173 -2.161 0.799) 2.311 7.030 ( -1.766 -2.159 -4.224) 5.062 7.078 ( 1.758 -1.407 2.967) 3.725 7.467 ( -0.876 0.273 -0.193) 0.938 8.068 ( 1.257 -0.761 -0.466) 1.541 8.387 ( -0.502 1.062 0.309) 1.214 8.448 ( -0.642 -0.055 0.668) 0.928 8.610 ( -0.394 -1.693 -0.742) 1.890 9.190 ( 3.924 0.067 0.486) 3.955 9.303 ( 2.089 -0.434 -0.164) 2.140 9.350 ( 1.458 -4.883 -0.461) 5.117 9.444 ( -2.182 -1.074 1.687) 2.960 9.581 ( -5.911 -2.021 0.719) 6.288 9.781 ( -2.118 -0.404 -1.400) 2.571 10.050 ( -0.689 -2.940 -4.006) 5.016 10.216 ( -3.439 -3.292 -3.578) 5.956 10.437 ( 5.336 2.266 2.320) 6.244 10.496 ( 0.618 -0.897 0.410) 1.164 10.674 ( 5.447 1.547 0.442) 5.679 10.791 ( -3.606 -2.356 1.720) 4.638 10.910 ( -4.267 -2.613 4.021) 6.419 11.313 ( -0.935 2.963 -0.496) 3.146 11.377 ( -1.706 2.320 2.601) 3.880 11.984 ( -0.263 3.462 -0.451) 3.501 12.355 ( 1.473 1.016 -0.464) 1.849 12.590 ( 4.665 -0.185 -2.784) 5.436 12.986 ( -2.433 -1.653 -0.816) 3.053 13.010 ( -1.939 -0.962 0.181) 2.172 13.616 ( -0.296 -0.796 0.632) 1.059 13.721 ( -0.929 -1.791 3.138) 3.730 13.824 ( 1.630 1.466 -1.425) 2.615 14.069 ( -4.021 2.056 3.923) 5.983 14.451 ( 2.005 0.261 1.800) 2.707 14.496 ( -2.387 0.082 -1.606) 2.878 15.034 ( 10.900 5.804 -8.339) 14.901 15.146 ( 8.371 9.100 -3.040) 12.733 15.398 ( -0.314 -3.032 0.638) 3.115 15.805 ( -10.679 -1.496 5.185) 11.965 17.915 ( -0.146 -0.561 -0.073) 0.584 17.918 ( -0.038 -0.660 -0.047) 0.662 ======================= Grid point 155 (64/168) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.721 3.065 2.888) 4.272 1.601 ( -0.382 6.761 -3.324) 7.544 1.712 ( -0.863 9.219 -9.971) 13.608 1.861 ( -0.831 6.027 -1.401) 6.243 2.020 ( -2.690 5.511 0.226) 6.136 2.151 ( 3.588 2.353 3.570) 5.581 2.265 ( 1.015 -6.414 -9.709) 11.681 2.319 ( -4.014 1.451 3.666) 5.627 2.738 ( 5.248 -2.909 12.010) 13.425 2.819 ( 0.115 3.147 2.299) 3.899 2.902 ( -2.277 0.405 -0.250) 2.326 3.051 ( -0.013 -1.056 0.010) 1.056 3.204 ( 0.342 -0.966 -4.127) 4.253 3.244 ( 2.016 7.285 -0.323) 7.566 3.424 ( -1.425 1.054 2.984) 3.471 3.692 ( -0.547 -1.010 -3.810) 3.980 4.076 ( -1.198 -4.861 2.115) 5.435 4.220 ( -0.241 4.379 2.634) 5.116 4.291 ( -2.011 -4.563 2.766) 5.702 4.443 ( 3.766 -2.129 -3.141) 5.346 4.643 ( 1.008 -2.126 -1.471) 2.775 4.745 ( -0.513 1.438 0.332) 1.563 4.937 ( 0.282 1.521 0.700) 1.698 5.016 ( -1.744 -0.589 1.424) 2.327 5.371 ( -3.489 -4.438 2.057) 6.008 5.542 ( 5.485 -0.850 1.598) 5.776 5.577 ( -0.555 -3.716 -0.373) 3.776 5.723 ( -0.476 2.800 -4.229) 5.094 5.786 ( 1.075 -0.591 -1.052) 1.616 6.010 ( -4.418 -0.902 4.593) 6.437 6.143 ( 3.125 5.728 2.265) 6.907 6.447 ( 1.123 -0.942 -1.315) 1.969 6.672 ( -2.593 0.335 -5.382) 5.983 7.007 ( -3.938 -0.639 -8.985) 9.831 7.162 ( 2.934 -3.940 4.811) 6.876 7.497 ( 1.610 -2.312 2.461) 3.741 8.108 ( 2.500 -1.254 2.395) 3.682 8.365 ( -0.219 1.489 0.456) 1.572 8.447 ( -0.703 -0.255 0.532) 0.918 8.622 ( -0.666 -1.259 -2.187) 2.610 9.201 ( 1.475 1.501 1.829) 2.788 9.305 ( 2.537 2.209 -0.870) 3.475 9.386 ( -1.391 3.464 0.648) 3.789 9.451 ( 4.968 -0.470 -0.768) 5.049 9.581 ( -7.796 -3.949 2.318) 9.041 9.768 ( -1.804 -0.554 -1.438) 2.373 10.100 ( -0.639 -5.918 -4.134) 7.248 10.236 ( -0.406 -3.824 -7.146) 8.115 10.462 ( 2.968 0.371 1.992) 3.594 10.521 ( 3.009 0.123 3.001) 4.251 10.700 ( 3.857 0.688 1.825) 4.323 10.802 ( -3.297 -0.200 5.535) 6.446 10.930 ( -2.061 -1.300 0.183) 2.444 11.222 ( -2.317 5.612 -0.808) 6.125 11.379 ( -0.897 -2.020 3.976) 4.549 11.930 ( -2.519 0.854 -2.524) 3.666 12.337 ( 1.054 2.193 0.205) 2.442 12.597 ( 2.641 0.890 -4.164) 5.011 12.991 ( -0.858 -0.736 0.037) 1.131 13.018 ( -1.305 -1.439 -0.087) 1.944 13.623 ( -0.393 0.136 0.881) 0.975 13.756 ( -0.760 -1.144 3.178) 3.462 13.795 ( 0.825 2.392 -1.349) 2.867 14.013 ( -3.286 3.264 4.809) 6.677 14.395 ( -3.019 3.874 -2.880) 5.694 14.506 ( 3.396 1.688 5.861) 6.981 14.914 ( 8.554 11.443 -5.305) 15.241 14.986 ( 3.207 10.551 -3.558) 11.587 15.597 ( 1.835 -16.116 -0.461) 16.226 15.831 ( -8.571 -7.519 0.896) 11.437 17.922 ( -0.040 -0.310 -0.009) 0.312 17.934 ( 0.156 -1.164 -0.302) 1.212 ======================= Grid point 156 (65/168) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.669 8.300 2.538) 8.705 1.388 ( -4.320 13.600 -4.017) 14.824 1.516 ( 0.077 7.659 -8.124) 11.165 1.672 ( -4.418 11.379 -1.660) 12.319 1.923 ( -0.166 5.540 0.041) 5.543 2.144 ( 6.200 8.763 4.859) 11.783 2.233 ( -4.972 4.041 4.746) 7.973 2.333 ( -0.036 -3.874 -7.465) 8.411 2.697 ( -0.988 8.540 0.680) 8.624 2.858 ( -0.418 -0.914 -0.308) 1.051 2.925 ( 4.105 -0.174 7.245) 8.329 3.067 ( 0.477 -0.657 0.268) 0.855 3.127 ( 2.203 0.560 2.124) 3.111 3.273 ( 1.299 -0.720 -1.059) 1.824 3.411 ( 0.029 0.156 2.702) 2.707 3.664 ( -1.938 -0.596 -6.444) 6.755 4.133 ( -3.326 -0.717 2.654) 4.315 4.175 ( 4.113 1.493 1.189) 4.534 4.379 ( -2.772 -6.317 2.114) 7.215 4.553 ( 3.830 -7.824 -2.375) 9.029 4.662 ( 2.573 1.350 -1.099) 3.107 4.730 ( -2.120 -1.122 -0.961) 2.583 4.964 ( 0.925 -3.168 2.930) 4.413 5.016 ( -2.235 -0.341 2.592) 3.439 5.384 ( -4.375 -0.615 1.435) 4.645 5.575 ( 2.472 -0.068 0.047) 2.473 5.628 ( -3.689 -0.764 -3.046) 4.845 5.718 ( 7.898 -1.344 -1.150) 8.094 5.834 ( 2.383 -3.241 1.320) 4.234 5.992 ( -4.582 -1.333 3.411) 5.865 6.144 ( 1.207 -0.614 4.459) 4.660 6.451 ( -0.873 -0.277 -1.707) 1.937 6.621 ( -1.164 -0.051 -5.478) 5.601 6.924 ( -5.280 -0.420 -11.396) 12.567 7.278 ( 3.478 -3.392 6.355) 7.999 7.568 ( 0.687 -3.473 1.110) 3.710 8.155 ( 2.583 0.391 4.452) 5.162 8.333 ( -0.189 2.565 0.494) 2.619 8.454 ( -0.330 -0.841 0.311) 0.955 8.623 ( -0.945 -1.085 -3.090) 3.409 9.177 ( -2.260 2.360 1.753) 3.708 9.205 ( 0.155 10.891 0.786) 10.921 9.329 ( 1.111 1.825 -1.619) 2.681 9.465 ( 4.849 2.813 -2.737) 6.239 9.626 ( -4.944 -5.028 3.828) 8.024 9.764 ( -1.779 -1.897 -0.620) 2.674 10.194 ( -0.392 -7.510 -4.053) 8.543 10.265 ( 1.790 -3.287 -9.096) 9.836 10.486 ( 0.795 -0.266 3.607) 3.703 10.572 ( 3.338 -1.058 3.490) 4.944 10.720 ( 0.447 0.747 5.288) 5.359 10.808 ( -1.238 0.787 5.355) 5.553 10.908 ( -1.144 1.817 -2.633) 3.397 11.091 ( -1.986 6.900 -0.483) 7.197 11.475 ( 2.066 -6.363 4.247) 7.925 11.889 ( -4.024 -0.995 -4.568) 6.168 12.299 ( 0.416 3.266 0.902) 3.414 12.562 ( 0.168 1.939 -5.007) 5.372 12.999 ( 0.347 -0.242 0.529) 0.677 13.032 ( 0.155 -0.727 -0.255) 0.786 13.613 ( -0.440 1.336 1.338) 1.941 13.742 ( -1.466 2.703 -1.113) 3.270 13.774 ( 0.638 0.814 2.823) 3.006 13.955 ( -1.664 3.477 2.734) 4.726 14.288 ( -1.524 5.587 0.830) 5.850 14.524 ( 4.451 3.535 6.548) 8.671 14.773 ( 7.517 9.531 -4.422) 12.919 14.846 ( 0.250 5.262 -2.419) 5.797 15.886 ( -6.408 -14.274 -1.986) 15.772 15.938 ( 0.394 -14.858 -0.962) 14.895 17.925 ( -0.033 -0.103 0.114) 0.157 17.954 ( -0.063 -1.394 -0.759) 1.588 ======================= Grid point 157 (66/168) ======================= q-point: (-0.09 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 3.596 11.418 3.811) 12.563 1.099 ( -1.100 15.565 1.645) 15.691 1.363 ( 0.756 6.564 -7.381) 9.906 1.439 ( -3.524 11.555 1.577) 12.183 1.811 ( 1.573 8.083 -1.526) 8.375 1.932 ( -1.096 16.942 3.200) 17.277 2.143 ( 6.873 14.632 7.581) 17.855 2.346 ( -3.679 -4.895 -7.256) 9.495 2.573 ( -1.303 3.296 0.574) 3.590 2.898 ( 2.003 -1.381 -4.149) 4.810 2.947 ( 6.205 3.162 7.082) 9.933 3.070 ( 0.848 0.345 0.495) 1.040 3.218 ( 0.519 -4.061 2.370) 4.730 3.269 ( -2.417 -1.427 3.617) 4.578 3.439 ( 1.066 -1.042 -1.711) 2.270 3.642 ( -1.309 -2.261 -7.124) 7.588 4.081 ( -4.512 1.554 0.907) 4.857 4.246 ( 5.242 -2.610 0.233) 5.860 4.463 ( -3.468 -4.962 2.085) 6.403 4.637 ( 1.863 2.314 0.693) 3.050 4.698 ( 3.857 -3.305 -2.678) 5.742 4.730 ( -3.154 -4.158 -1.738) 5.501 5.026 ( -2.125 -2.805 2.803) 4.499 5.098 ( 2.238 -7.993 4.012) 9.220 5.342 ( -4.738 2.395 2.402) 5.827 5.594 ( -0.709 -2.275 -4.056) 4.704 5.607 ( 3.435 1.387 1.475) 3.987 5.758 ( 5.545 1.735 -2.987) 6.533 5.903 ( 1.455 -1.337 2.850) 3.468 6.060 ( -5.617 -5.044 8.905) 11.675 6.208 ( 0.047 -7.019 -2.426) 7.426 6.424 ( -3.265 0.431 -2.368) 4.056 6.624 ( 1.018 -2.538 -1.310) 3.032 6.865 ( -2.784 -3.119 -8.999) 9.922 7.394 ( 4.639 -2.950 7.727) 9.483 7.626 ( -1.999 -4.006 -1.469) 4.712 8.166 ( 2.080 3.178 4.598) 5.964 8.277 ( -0.580 3.763 -0.276) 3.818 8.469 ( -0.488 -0.746 0.659) 1.109 8.608 ( -1.756 -0.105 -3.915) 4.292 8.990 ( -0.633 14.418 2.585) 14.662 9.086 ( -5.389 5.928 -1.131) 8.091 9.303 ( 2.242 1.663 -2.588) 3.807 9.416 ( 2.751 4.274 -3.725) 6.302 9.672 ( -5.725 -3.392 2.848) 7.239 9.831 ( 2.751 -5.202 1.839) 6.165 10.270 ( -1.318 -2.964 -6.206) 7.002 10.307 ( 1.870 -5.730 -4.343) 7.429 10.518 ( -0.689 -0.693 4.491) 4.596 10.638 ( 1.700 -2.370 3.580) 4.618 10.747 ( -2.564 1.237 7.001) 7.558 10.766 ( -4.131 0.459 -0.449) 4.180 10.845 ( -0.416 4.248 -0.211) 4.274 10.990 ( 6.035 5.183 -0.422) 7.966 11.646 ( 3.314 -8.295 3.133) 9.465 11.861 ( -3.742 -2.486 -5.456) 7.068 12.245 ( -0.012 3.823 1.521) 4.115 12.488 ( -1.919 3.159 -5.018) 6.232 13.008 ( 0.996 0.304 0.471) 1.143 13.043 ( 1.611 -0.053 -0.257) 1.632 13.585 ( 0.081 2.447 1.576) 2.912 13.674 ( -0.992 3.394 -0.997) 3.673 13.769 ( 0.432 1.603 2.223) 2.775 13.897 ( -0.745 2.967 0.372) 3.082 14.194 ( 1.714 7.203 3.956) 8.395 14.508 ( 2.274 5.390 5.780) 8.224 14.669 ( 7.683 7.597 -5.332) 12.049 14.792 ( 1.515 0.433 -4.071) 4.366 16.036 ( -6.709 -14.087 1.961) 15.726 16.255 ( -0.475 -19.313 -1.140) 19.352 17.926 ( -0.081 0.031 0.309) 0.321 17.968 ( -0.717 -1.052 -1.395) 1.888 ======================= Grid point 161 (67/168) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.622 0.000 3.149) 9.179 1.265 ( 17.861 0.000 1.478) 17.922 1.453 ( 9.507 0.000 -7.300) 11.987 1.621 ( 11.876 0.000 12.697) 17.385 1.676 ( 6.782 0.000 4.243) 8.000 1.942 ( 0.399 0.000 -13.297) 13.303 2.052 ( 17.244 0.000 11.262) 20.596 2.282 ( -2.159 -0.000 0.234) 2.172 2.356 ( -5.135 -0.000 -1.838) 5.454 2.641 ( -3.619 -0.000 -6.294) 7.260 2.984 ( 3.655 0.000 -1.371) 3.903 3.083 ( -2.861 -0.000 -10.580) 10.960 3.214 ( -2.696 -0.000 5.790) 6.387 3.267 ( -0.070 -0.000 -2.092) 2.093 3.483 ( -0.329 -0.000 -0.873) 0.933 3.513 ( 1.900 0.000 7.733) 7.963 4.295 ( -7.996 -0.000 -0.612) 8.019 4.412 ( 0.167 0.000 1.474) 1.483 4.423 ( 7.432 0.000 -0.103) 7.433 4.640 ( -3.512 -0.000 0.893) 3.623 4.772 ( 3.924 0.000 6.018) 7.184 4.877 ( 1.742 0.000 -2.609) 3.137 5.119 ( -5.973 -0.000 4.041) 7.211 5.163 ( 0.339 0.000 -3.249) 3.267 5.323 ( -2.291 -0.000 -2.017) 3.052 5.571 ( -5.269 -0.000 -0.046) 5.270 5.662 ( -5.179 -0.000 -0.710) 5.227 5.673 ( 4.582 0.000 0.215) 4.587 5.934 ( -2.475 -0.000 -0.418) 2.510 6.133 ( 0.015 0.000 6.994) 6.994 6.261 ( -2.371 -0.000 2.257) 3.273 6.402 ( -1.293 -0.000 -3.429) 3.665 6.932 ( -6.755 -0.000 -2.027) 7.053 7.019 ( -0.506 -0.000 -0.002) 0.506 7.483 ( -7.660 -0.000 -10.776) 13.221 7.771 ( -3.635 -0.000 -3.234) 4.865 7.954 ( 3.077 0.000 4.368) 5.343 8.168 ( -0.150 -0.000 4.002) 4.005 8.318 ( 0.100 0.000 -1.263) 1.267 8.383 ( 1.485 0.000 3.406) 3.716 8.504 ( -2.277 -0.000 1.294) 2.619 8.522 ( 0.806 0.000 -1.557) 1.754 9.234 ( 3.168 0.000 0.138) 3.171 9.434 ( 4.200 0.000 -2.834) 5.067 9.724 ( -3.554 -0.000 1.902) 4.031 9.867 ( -1.829 -0.000 -1.431) 2.322 10.126 ( -4.388 -0.000 0.419) 4.408 10.235 ( -10.450 -0.000 -2.039) 10.647 10.411 ( -4.667 -0.000 0.071) 4.667 10.428 ( -4.056 -0.000 -5.359) 6.721 10.613 ( -4.959 -0.000 -0.040) 4.959 10.840 ( 3.892 0.000 3.092) 4.970 10.952 ( -5.025 -0.000 3.448) 6.094 11.107 ( 4.745 0.000 1.158) 4.885 12.000 ( 12.197 0.000 -9.560) 15.497 12.107 ( 4.597 0.000 3.161) 5.579 12.283 ( 2.475 0.000 -0.772) 2.593 12.445 ( 10.387 0.000 7.751) 12.960 12.994 ( -1.091 -0.000 0.021) 1.091 13.020 ( -4.078 -0.000 0.086) 4.079 13.536 ( 0.969 0.000 0.027) 0.970 13.645 ( -2.677 -0.000 3.380) 4.312 13.825 ( 3.689 0.000 -1.977) 4.185 13.826 ( 4.280 0.000 2.960) 5.204 13.996 ( 0.615 0.000 -3.527) 3.580 14.216 ( 7.588 0.000 1.432) 7.722 14.757 ( -0.966 -0.000 -14.918) 14.949 14.934 ( 5.384 0.000 10.265) 11.592 16.561 ( -6.822 -0.000 -3.327) 7.590 16.726 ( -4.362 -0.000 4.340) 6.153 17.877 ( -1.291 -0.000 -0.150) 1.300 17.933 ( -0.266 -0.000 0.216) 0.343 ======================= Grid point 162 (68/168) ======================= q-point: ( 0.36 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.285 -0.217 -0.106) 7.289 1.428 ( 17.001 -0.472 -1.185) 17.049 1.515 ( 10.897 -3.523 -4.962) 12.481 1.767 ( 7.839 -0.548 8.359) 11.473 1.780 ( 8.680 -2.224 9.189) 12.834 1.940 ( -0.157 -5.420 -7.837) 9.529 2.219 ( -0.807 -1.505 -0.780) 1.877 2.283 ( 7.402 -4.105 9.201) 12.502 2.318 ( -6.049 -1.149 -0.658) 6.193 2.613 ( -3.345 -3.076 -5.434) 7.084 2.922 ( -2.425 7.737 -10.314) 13.119 3.057 ( 5.787 -4.414 -4.408) 8.509 3.221 ( -2.100 0.073 5.561) 5.945 3.283 ( -0.968 -1.423 -1.056) 2.020 3.470 ( 0.034 0.325 -1.423) 1.460 3.606 ( 2.237 -3.593 6.293) 7.584 4.216 ( -5.410 3.028 2.128) 6.555 4.252 ( 1.382 10.841 -2.209) 11.150 4.584 ( 3.710 -5.172 -0.161) 6.367 4.601 ( -3.434 1.831 0.445) 3.917 4.771 ( 2.048 4.851 3.060) 6.090 4.895 ( 3.083 -0.443 -0.006) 3.115 5.070 ( -6.274 2.507 3.568) 7.641 5.147 ( 0.353 0.484 -3.590) 3.639 5.297 ( -2.127 0.304 0.611) 2.233 5.534 ( -2.309 -0.327 -1.669) 2.868 5.661 ( -3.474 -4.235 -0.940) 5.558 5.739 ( 1.004 -3.572 1.344) 3.946 5.915 ( -3.926 0.220 1.503) 4.209 6.067 ( -3.427 5.889 2.407) 7.226 6.233 ( 0.677 4.164 -0.474) 4.245 6.413 ( 1.498 -1.666 1.180) 2.533 6.739 ( -3.844 9.219 -1.791) 10.148 7.071 ( -1.305 -1.768 0.452) 2.243 7.331 ( -5.400 5.413 -7.269) 10.550 7.716 ( -2.888 2.164 -2.374) 4.320 8.025 ( 1.345 -3.808 2.396) 4.696 8.239 ( 0.336 -6.133 1.643) 6.358 8.412 ( -0.122 -2.363 3.716) 4.405 8.421 ( 0.911 -4.761 -1.884) 5.201 8.486 ( -1.246 -5.833 -0.122) 5.965 8.595 ( -1.205 -6.814 0.059) 6.920 9.269 ( 4.253 -0.190 0.705) 4.315 9.441 ( 3.422 1.170 -2.417) 4.350 9.674 ( -2.237 2.881 1.359) 3.893 9.870 ( -3.331 -1.785 -2.519) 4.542 10.073 ( -5.061 1.783 -0.303) 5.375 10.169 ( -8.666 -2.890 -0.389) 9.143 10.366 ( -2.915 -0.217 -4.195) 5.113 10.421 ( -1.314 -2.930 -0.941) 3.346 10.576 ( -4.068 0.184 1.501) 4.340 10.864 ( 2.492 1.832 2.045) 3.708 10.912 ( -5.203 1.821 4.264) 6.969 11.176 ( 3.571 -3.227 1.304) 4.987 11.934 ( 7.937 10.110 -5.136) 13.842 12.213 ( 7.434 -3.354 -0.795) 8.194 12.307 ( 2.927 -0.679 -1.081) 3.193 12.521 ( 8.721 3.993 5.391) 11.003 12.964 ( -3.109 0.860 0.567) 3.275 13.007 ( -2.801 -1.152 -0.822) 3.138 13.544 ( 0.725 0.095 0.050) 0.733 13.635 ( -2.711 0.002 2.956) 4.011 13.838 ( 3.549 0.359 -1.918) 4.050 13.889 ( 3.311 -2.232 2.427) 4.673 14.063 ( 0.565 -7.642 -2.507) 8.063 14.364 ( 7.345 -9.626 1.349) 12.183 14.662 ( -2.405 1.503 -12.257) 12.581 15.011 ( 2.854 1.015 11.811) 12.193 16.410 ( -4.239 9.721 -4.415) 11.488 16.635 ( -2.437 9.109 2.311) 9.709 17.872 ( -1.157 -0.535 -0.002) 1.274 17.929 ( -0.403 0.194 0.023) 0.448 ======================= Grid point 163 (69/168) ======================= q-point: ( 0.45 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 6.117 1.967 -1.648) 6.634 1.532 ( 13.040 -1.161 -6.463) 14.600 1.658 ( 11.191 -3.031 -3.343) 12.066 1.895 ( 7.487 -1.535 9.969) 12.562 1.912 ( 4.077 -3.406 5.197) 7.432 2.026 ( -1.307 -7.964 -4.134) 9.067 2.217 ( -5.529 -3.131 0.425) 6.368 2.298 ( -5.409 -2.408 1.125) 6.027 2.508 ( 6.754 -6.245 11.177) 14.475 2.643 ( -3.060 -7.808 -6.651) 10.703 2.744 ( -0.309 5.960 -7.401) 9.508 3.142 ( 3.310 -3.670 -6.027) 7.795 3.228 ( -0.856 0.917 4.444) 4.618 3.272 ( -2.122 0.789 0.149) 2.269 3.462 ( 2.364 0.307 -2.996) 3.829 3.688 ( 0.156 -1.792 3.069) 3.557 4.052 ( 0.592 11.404 0.325) 11.424 4.162 ( -4.349 0.293 0.435) 4.381 4.530 ( -3.366 3.112 -0.011) 4.584 4.647 ( 1.013 0.068 0.566) 1.163 4.706 ( 1.358 5.343 1.530) 5.722 4.915 ( 3.503 2.062 0.233) 4.071 4.978 ( -4.439 3.207 1.386) 5.649 5.137 ( 0.240 -1.452 -3.540) 3.834 5.275 ( -1.792 1.314 1.715) 2.807 5.512 ( 0.836 2.126 -1.575) 2.774 5.726 ( -1.042 -4.748 -0.036) 4.861 5.770 ( 0.055 2.183 0.181) 2.191 5.891 ( -4.855 -1.273 2.831) 5.763 5.963 ( -5.720 2.122 0.247) 6.106 6.193 ( 6.082 0.575 -3.029) 6.819 6.451 ( 1.096 0.177 1.775) 2.094 6.605 ( -1.155 3.727 1.378) 4.138 7.066 ( -0.373 0.600 -1.253) 1.438 7.173 ( -4.417 6.116 -0.495) 7.560 7.633 ( -2.287 3.799 -1.469) 4.671 8.090 ( 0.518 -1.481 -0.175) 1.578 8.360 ( 1.441 -5.849 -0.018) 6.024 8.427 ( 0.132 -0.100 -1.613) 1.621 8.448 ( -1.719 -2.145 2.485) 3.706 8.721 ( -0.032 -15.121 -0.600) 15.133 8.740 ( -1.938 -13.360 1.401) 13.573 9.302 ( 3.226 0.486 0.584) 3.315 9.429 ( 2.350 1.686 -1.328) 3.182 9.623 ( -1.328 2.070 0.646) 2.543 9.823 ( -5.364 0.514 -4.266) 6.873 10.021 ( -5.242 -0.094 1.524) 5.460 10.167 ( -2.701 -1.903 -1.807) 3.766 10.353 ( -2.876 -2.882 -2.452) 4.752 10.477 ( 0.988 -3.315 0.274) 3.470 10.571 ( -1.892 -2.068 1.058) 2.996 10.831 ( -2.342 3.451 4.353) 6.028 10.868 ( -1.465 2.009 2.142) 3.281 11.266 ( 2.165 -3.684 0.785) 4.344 11.778 ( 4.735 11.666 -2.033) 12.754 12.274 ( 6.414 3.421 -1.006) 7.339 12.335 ( 2.350 -0.739 -1.174) 2.729 12.526 ( 6.034 2.191 0.068) 6.419 12.935 ( -3.803 -0.382 0.443) 3.848 12.999 ( -2.203 -0.719 -1.004) 2.525 13.549 ( -0.143 -0.802 -0.745) 1.104 13.636 ( -2.187 -0.856 2.913) 3.742 13.853 ( 3.440 0.233 -1.724) 3.855 13.973 ( 1.751 -3.804 2.234) 4.746 14.199 ( 0.219 -8.754 -2.155) 9.019 14.556 ( -0.287 2.014 -2.611) 3.310 14.652 ( 6.856 -13.941 -3.265) 15.875 15.057 ( 0.311 1.476 12.048) 12.142 16.149 ( -1.376 15.414 -4.816) 16.207 16.418 ( -1.548 14.807 -0.138) 14.889 17.876 ( -0.920 -0.873 0.143) 1.276 17.920 ( -0.496 0.389 -0.140) 0.646 ======================= Grid point 164 (70/168) ======================= q-point: ( 0.55 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 3.902 3.271 -1.236) 5.240 1.616 ( 8.832 -2.924 -8.441) 12.562 1.751 ( 7.218 -0.905 -2.254) 7.616 1.985 ( 0.444 -1.904 2.214) 2.954 2.016 ( 4.703 -1.268 6.785) 8.352 2.132 ( -0.411 -7.397 -4.199) 8.516 2.218 ( -5.164 -1.322 -0.946) 5.413 2.324 ( -4.878 -3.278 3.366) 6.773 2.591 ( -1.592 -1.070 -4.740) 5.113 2.669 ( 1.751 0.382 4.029) 4.410 2.844 ( 2.775 -13.444 -0.882) 13.756 3.163 ( 0.741 1.492 -1.812) 2.461 3.190 ( 0.984 5.181 2.986) 6.060 3.247 ( -3.703 -0.928 0.760) 3.893 3.487 ( 5.795 -1.433 -2.362) 6.419 3.697 ( -1.508 0.822 -1.020) 1.998 3.912 ( -1.382 4.596 2.929) 5.623 4.148 ( -2.576 -1.266 1.043) 3.054 4.458 ( -2.265 2.271 -0.159) 3.212 4.604 ( -0.356 7.834 2.076) 8.112 4.627 ( -1.460 2.096 0.533) 2.609 4.875 ( 2.483 3.062 -2.036) 4.437 4.952 ( 0.424 -0.021 1.119) 1.197 5.145 ( 0.353 0.337 -3.467) 3.501 5.248 ( -1.329 1.518 3.298) 3.866 5.469 ( 2.388 2.312 -1.136) 3.513 5.683 ( 1.127 6.101 -0.447) 6.221 5.791 ( 0.612 -2.090 -0.551) 2.246 5.875 ( -5.836 -0.417 -1.065) 5.947 5.929 ( -3.901 -1.809 1.837) 4.676 6.277 ( 6.416 -4.460 -1.730) 8.003 6.425 ( -1.013 2.623 -0.430) 2.844 6.606 ( 0.999 -1.020 3.440) 3.725 7.017 ( -3.868 1.469 -5.175) 6.625 7.090 ( 0.444 2.759 5.578) 6.239 7.548 ( -1.132 3.967 -0.102) 4.127 8.085 ( 0.761 1.253 -1.558) 2.139 8.411 ( -0.647 0.071 0.630) 0.906 8.436 ( 0.486 -0.951 -0.564) 1.208 8.504 ( -1.182 -4.811 -0.422) 4.972 8.939 ( 0.284 -13.238 0.231) 13.243 9.016 ( 0.166 -15.608 0.430) 15.615 9.303 ( 0.435 1.252 0.295) 1.357 9.412 ( 0.736 1.322 -0.114) 1.517 9.587 ( -0.864 1.426 -0.045) 1.668 9.761 ( -3.453 -0.217 -4.440) 5.629 9.998 ( -5.064 -1.010 1.439) 5.361 10.161 ( 0.201 -0.228 -3.919) 3.931 10.389 ( -2.059 -4.127 -0.457) 4.635 10.528 ( 3.265 0.335 3.182) 4.571 10.631 ( 0.690 -5.496 -2.620) 6.128 10.780 ( -2.407 2.884 6.085) 7.151 10.835 ( -3.184 0.695 2.529) 4.125 11.328 ( 0.652 -1.971 -0.276) 2.094 11.611 ( 2.287 10.678 1.207) 10.987 12.190 ( 1.973 7.965 -2.443) 8.562 12.359 ( 1.780 -0.618 -0.585) 1.973 12.561 ( 5.536 -1.085 -3.133) 6.453 12.922 ( -3.623 -1.468 0.128) 3.911 12.990 ( -1.607 -0.529 -0.557) 1.781 13.565 ( -0.525 -1.753 -0.595) 1.924 13.656 ( -1.691 -1.607 2.973) 3.779 13.864 ( 3.121 0.630 -1.676) 3.598 14.051 ( -0.817 -3.230 2.295) 4.046 14.329 ( 0.479 -7.031 -1.364) 7.178 14.511 ( 1.156 1.974 1.013) 2.502 14.934 ( 8.072 -11.589 -3.673) 14.593 15.099 ( -0.186 -1.519 10.043) 10.159 15.836 ( 0.055 17.954 -4.933) 18.619 16.127 ( -3.286 16.467 -1.016) 16.823 17.887 ( -0.607 -1.009 0.132) 1.185 17.910 ( -0.347 0.204 -0.215) 0.456 ======================= Grid point 165 (71/168) ======================= q-point: ( 0.64 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.865 1.591 0.640) 1.921 1.691 ( 5.976 -3.046 -7.675) 10.193 1.772 ( 1.295 0.293 -4.485) 4.678 2.000 ( -0.982 0.267 -0.189) 1.035 2.086 ( 2.514 0.280 3.118) 4.015 2.165 ( -2.743 0.390 -2.116) 3.486 2.212 ( -1.035 -1.473 -5.063) 5.373 2.308 ( -6.151 -1.655 -1.561) 6.558 2.617 ( 1.835 -4.024 3.646) 5.732 2.751 ( 0.500 -5.406 2.896) 6.153 2.998 ( 2.576 -0.832 -1.487) 3.089 3.076 ( 0.502 5.558 0.478) 5.601 3.166 ( 2.464 1.827 2.108) 3.722 3.282 ( -2.502 -4.973 4.834) 7.373 3.549 ( 3.065 1.346 -0.115) 3.350 3.639 ( -1.151 0.171 -4.670) 4.813 3.907 ( -1.134 -2.014 5.162) 5.656 4.167 ( -1.780 -2.475 0.559) 3.100 4.421 ( -2.058 1.079 -1.211) 2.620 4.472 ( 1.795 6.924 1.657) 7.342 4.592 ( -2.272 1.191 2.737) 3.751 4.840 ( 3.091 3.107 -1.423) 4.608 4.973 ( 0.984 -1.204 -1.108) 1.909 5.083 ( -1.267 4.110 -2.585) 5.018 5.234 ( -1.167 0.354 4.155) 4.330 5.485 ( 2.642 -1.306 -1.010) 3.115 5.609 ( 1.455 3.188 0.146) 3.507 5.803 ( -4.142 1.816 -2.971) 5.411 5.810 ( 1.804 0.694 -0.499) 1.996 5.959 ( -2.576 -2.313 3.749) 5.103 6.356 ( -0.101 3.209 -1.326) 3.473 6.385 ( 3.967 -1.959 0.026) 4.424 6.635 ( -3.209 -1.895 -1.654) 4.077 6.961 ( -2.701 -0.699 -4.862) 5.605 7.095 ( 1.693 0.506 4.335) 4.681 7.495 ( 0.995 2.318 1.570) 2.971 8.076 ( 1.976 0.138 0.317) 2.007 8.399 ( -1.064 0.656 0.850) 1.512 8.443 ( -0.314 -0.149 0.004) 0.348 8.557 ( -1.030 -3.132 -2.524) 4.152 9.163 ( 3.354 -10.680 0.383) 11.201 9.241 ( 1.205 -9.240 -0.294) 9.323 9.280 ( -2.109 -0.063 0.604) 2.194 9.397 ( -2.201 -0.167 0.817) 2.354 9.560 ( -0.086 1.305 0.027) 1.308 9.734 ( -1.726 -1.202 -4.602) 5.060 9.988 ( -3.834 -1.581 0.006) 4.147 10.150 ( 1.566 -0.513 -5.263) 5.515 10.442 ( -0.666 -3.055 0.545) 3.174 10.550 ( 4.721 2.219 2.367) 5.729 10.717 ( 1.345 -4.671 -1.688) 5.145 10.754 ( 0.528 2.271 4.634) 5.188 10.835 ( -6.410 -2.853 5.394) 8.850 11.335 ( -0.523 0.796 -1.331) 1.637 11.479 ( 0.854 7.651 4.439) 8.887 12.051 ( -1.287 6.391 -4.132) 7.719 12.375 ( 1.388 0.098 -0.065) 1.393 12.597 ( 3.512 -0.780 -4.437) 5.712 12.931 ( -1.966 -2.216 0.140) 2.965 12.987 ( -0.869 -0.526 -0.189) 1.033 13.590 ( -0.755 -1.802 0.118) 1.957 13.690 ( -1.350 -2.070 2.776) 3.717 13.864 ( 2.730 1.256 -1.372) 3.303 14.081 ( -2.443 -0.325 3.293) 4.113 14.411 ( -1.091 -3.058 -1.843) 3.733 14.526 ( 3.713 0.446 6.083) 7.141 15.082 ( 4.524 -3.536 -0.918) 5.815 15.247 ( 7.819 -7.260 -0.661) 10.690 15.510 ( -0.592 17.049 -4.938) 17.759 15.824 ( -8.698 12.746 0.831) 15.453 17.901 ( -0.283 -0.903 -0.010) 0.947 17.908 ( -0.101 -0.306 -0.194) 0.376 ======================= Grid point 166 (72/168) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -1.064 0.243 2.592) 2.812 1.677 ( -0.165 4.815 -3.171) 5.768 1.747 ( 0.127 0.851 -11.765) 11.796 1.953 ( 0.557 4.198 0.921) 4.333 2.044 ( -2.919 -0.410 -9.126) 9.590 2.077 ( -5.785 4.060 -6.020) 9.284 2.233 ( 3.774 -3.167 3.101) 5.822 2.351 ( -0.884 -2.483 6.044) 6.594 2.756 ( 2.616 -5.859 7.718) 10.037 2.843 ( -1.289 -3.751 0.283) 3.976 2.948 ( 4.689 7.131 1.927) 8.750 3.037 ( -0.896 0.351 1.769) 2.014 3.178 ( 4.139 -0.209 -2.153) 4.671 3.354 ( -0.586 0.690 2.606) 2.758 3.451 ( -2.261 4.354 -0.345) 4.918 3.656 ( -0.251 -0.912 -2.689) 2.851 3.988 ( -0.761 -5.255 4.464) 6.937 4.208 ( -1.342 -3.490 0.802) 3.824 4.337 ( -0.252 5.562 2.214) 5.992 4.455 ( 4.354 0.677 -3.195) 5.442 4.591 ( -2.475 -2.109 3.159) 4.533 4.800 ( 2.237 3.557 -0.903) 4.298 4.973 ( 0.243 1.744 -1.290) 2.182 5.006 ( -1.255 1.112 -0.243) 1.695 5.281 ( -1.269 -4.101 4.068) 5.914 5.499 ( -2.871 -1.371 -1.659) 3.588 5.592 ( 1.300 1.232 0.131) 1.796 5.746 ( 2.756 0.778 -5.545) 6.241 5.818 ( 3.257 1.590 4.150) 5.510 5.985 ( -3.271 -0.976 3.722) 5.050 6.279 ( 1.669 5.585 1.080) 5.928 6.429 ( 0.614 -0.949 -0.775) 1.371 6.603 ( -5.452 -1.312 -6.094) 8.281 6.912 ( -4.570 -0.351 -9.877) 10.889 7.160 ( 3.769 -2.403 6.685) 8.042 7.498 ( 1.743 -0.283 0.940) 2.000 8.121 ( 3.297 -1.517 4.054) 5.441 8.385 ( -0.373 0.692 0.615) 0.998 8.440 ( -0.709 0.044 0.123) 0.721 8.573 ( -1.447 -1.926 -3.701) 4.416 9.242 ( -0.321 1.694 1.538) 2.311 9.331 ( 2.351 -2.585 -0.705) 3.564 9.370 ( 0.634 -4.625 0.075) 4.669 9.408 ( -3.117 -4.600 1.870) 5.863 9.544 ( 1.303 1.247 0.817) 1.980 9.718 ( -2.496 -1.220 -4.846) 5.586 9.999 ( -1.498 -3.125 -1.856) 3.931 10.157 ( 2.404 -1.807 -6.460) 7.126 10.482 ( 0.661 -1.256 1.112) 1.803 10.558 ( 2.722 1.192 1.247) 3.222 10.757 ( 2.104 0.887 3.030) 3.794 10.790 ( -2.097 -2.285 7.151) 7.795 10.865 ( -3.065 -3.273 0.354) 4.498 11.285 ( -0.520 3.585 -1.799) 4.044 11.418 ( 1.079 3.305 6.706) 7.554 11.924 ( -3.376 3.585 -5.456) 7.349 12.375 ( 0.854 1.116 0.485) 1.486 12.596 ( 0.591 0.135 -5.007) 5.043 12.966 ( 0.616 -2.195 0.174) 2.287 12.993 ( -0.115 -0.711 -0.136) 0.733 13.612 ( -1.027 -1.196 1.061) 1.901 13.724 ( -1.569 -1.834 1.719) 2.963 13.853 ( 2.712 2.013 0.075) 3.378 14.062 ( -2.387 2.050 3.509) 4.713 14.401 ( -2.097 1.172 -1.488) 2.826 14.586 ( 3.950 0.761 8.340) 9.260 15.140 ( 10.422 4.212 -7.304) 13.405 15.207 ( 1.558 15.116 -3.605) 15.618 15.408 ( 4.000 -6.232 -0.914) 7.461 15.636 ( -14.379 -3.068 1.755) 14.807 17.913 ( -0.061 -0.665 -0.088) 0.674 17.916 ( -0.012 -0.767 -0.215) 0.796 ======================= Grid point 167 (73/168) ======================= q-point: (-0.18 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.740 2.464 3.329) 4.492 1.530 ( -3.065 8.980 -3.725) 10.194 1.601 ( -0.786 7.001 -8.478) 11.023 1.816 ( -0.517 10.335 -6.534) 12.238 1.993 ( -0.234 3.407 -1.268) 3.643 2.060 ( -2.369 -8.447 -5.278) 10.238 2.311 ( 3.466 1.358 4.391) 5.757 2.399 ( 0.266 0.711 7.840) 7.876 2.828 ( -1.152 2.823 -2.908) 4.213 2.850 ( -0.245 3.436 0.373) 3.465 2.937 ( 3.768 -2.709 8.132) 9.363 3.055 ( 0.271 -1.274 2.575) 2.886 3.195 ( 1.759 2.098 -0.437) 2.773 3.277 ( 3.695 2.160 -3.912) 5.799 3.441 ( -0.658 0.542 4.517) 4.597 3.619 ( -2.524 0.892 -5.033) 5.701 4.088 ( -1.403 -3.973 3.454) 5.448 4.264 ( -2.119 0.211 0.911) 2.316 4.275 ( 2.721 -0.482 2.231) 3.551 4.478 ( 3.140 -2.545 -1.840) 4.441 4.647 ( 0.010 -3.909 -0.079) 3.910 4.745 ( 1.044 3.751 -0.883) 3.992 4.955 ( 0.403 -0.201 1.584) 1.647 5.002 ( -1.318 -0.543 0.985) 1.733 5.332 ( -4.261 -1.598 2.344) 5.119 5.509 ( -5.500 -4.938 -1.949) 7.644 5.586 ( 1.356 -0.237 -0.919) 1.655 5.772 ( 9.211 -0.890 -3.891) 10.039 5.850 ( 4.299 1.167 6.163) 7.604 5.971 ( -4.262 0.553 2.246) 4.850 6.215 ( 0.761 4.219 2.824) 5.133 6.426 ( -2.176 -0.025 -1.125) 2.450 6.562 ( -3.172 -1.996 -6.085) 7.146 6.824 ( -4.158 0.079 -11.012) 11.772 7.275 ( 3.284 -3.612 6.887) 8.442 7.525 ( 0.008 -1.887 -1.400) 2.350 8.198 ( 3.237 -0.968 6.301) 7.150 8.373 ( 0.651 1.527 0.390) 1.705 8.436 ( -0.994 -0.587 0.089) 1.158 8.570 ( -2.020 -1.697 -4.372) 5.106 9.209 ( -2.136 2.217 1.984) 3.663 9.343 ( 2.700 2.663 -0.520) 3.828 9.347 ( -3.673 2.846 0.142) 4.649 9.525 ( -3.118 -4.457 4.835) 7.278 9.544 ( 7.311 1.090 -2.570) 7.826 9.699 ( -3.449 -2.489 -2.580) 4.974 10.061 ( 0.977 -5.852 -3.414) 6.845 10.186 ( 2.729 -2.813 -7.225) 8.220 10.508 ( 0.880 -0.389 2.033) 2.249 10.566 ( -0.895 -0.462 1.964) 2.207 10.770 ( -2.513 -0.472 1.315) 2.875 10.816 ( -2.623 1.420 10.421) 10.839 10.900 ( 2.125 -1.518 -2.454) 3.584 11.196 ( 0.919 5.726 -1.738) 6.054 11.458 ( 3.510 -1.797 7.562) 8.528 11.826 ( -4.583 0.948 -6.501) 8.011 12.355 ( 0.425 2.284 1.003) 2.531 12.558 ( -1.652 1.056 -5.011) 5.381 13.002 ( 1.672 -0.527 0.081) 1.754 13.015 ( 1.295 -1.691 -0.239) 2.144 13.622 ( -1.327 -0.246 1.835) 2.278 13.732 ( -2.391 -0.155 0.242) 2.408 13.843 ( 3.015 2.471 2.127) 4.441 14.013 ( -1.594 3.191 1.303) 3.798 14.348 ( -0.977 2.783 1.116) 3.154 14.635 ( 3.879 1.795 7.872) 8.957 14.981 ( 0.987 10.410 -4.462) 11.369 15.013 ( 8.940 13.097 -5.459) 16.771 15.577 ( -6.657 -13.484 0.528) 15.047 15.701 ( -3.126 -11.644 -2.195) 12.254 17.921 ( -0.069 -0.387 -0.034) 0.394 17.930 ( -0.152 -0.996 -0.353) 1.068 ======================= Grid point 168 (74/168) ======================= q-point: (-0.09 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.650 5.986 2.877) 6.673 1.338 ( 1.153 10.717 1.651) 10.905 1.452 ( 0.916 7.129 -5.895) 9.296 1.604 ( 1.214 10.602 -5.363) 11.943 1.909 ( -0.001 5.486 -3.355) 6.430 2.173 ( -0.904 -7.111 -2.970) 7.759 2.230 ( -1.503 12.050 8.483) 14.812 2.403 ( 5.173 5.001 3.614) 8.052 2.688 ( -0.737 9.114 0.438) 9.154 2.826 ( -1.334 -2.433 -3.729) 4.648 3.032 ( 2.265 -2.281 3.929) 5.076 3.084 ( 1.150 1.354 2.226) 2.847 3.205 ( 3.789 -1.900 2.232) 4.790 3.276 ( 0.811 1.485 -1.068) 2.001 3.439 ( 0.478 1.015 0.763) 1.357 3.574 ( -1.135 -1.068 -5.316) 5.539 4.080 ( -4.238 2.104 -0.565) 4.765 4.279 ( 4.703 -0.582 1.632) 5.012 4.346 ( -2.482 -5.003 2.401) 6.079 4.574 ( -0.587 -6.832 -0.733) 6.896 4.694 ( 1.826 1.837 -1.920) 3.224 4.699 ( 1.846 -1.168 -1.320) 2.552 4.993 ( -0.906 -1.643 2.348) 3.006 5.023 ( -0.072 -3.757 3.539) 5.162 5.320 ( -5.383 -1.103 1.439) 5.681 5.520 ( -3.255 -2.157 -3.371) 5.159 5.619 ( 1.159 -2.125 -0.305) 2.440 5.856 ( 9.838 1.600 -0.961) 10.014 5.912 ( 3.226 -1.416 3.932) 5.279 5.950 ( -3.198 -3.253 2.902) 5.406 6.170 ( -2.248 1.641 1.902) 3.371 6.385 ( -5.119 0.490 -2.316) 5.640 6.573 ( -0.607 -3.263 -2.991) 4.468 6.767 ( -0.213 -1.641 -7.924) 8.095 7.396 ( 2.736 -4.304 6.251) 8.067 7.541 ( -2.496 -2.300 -2.931) 4.485 8.246 ( 1.952 1.343 5.215) 5.728 8.336 ( 0.396 3.345 -0.009) 3.368 8.449 ( -0.814 -1.290 0.897) 1.770 8.558 ( -2.566 -1.359 -4.497) 5.353 9.142 ( -3.123 4.696 1.742) 5.903 9.206 ( -1.402 10.073 1.185) 10.239 9.327 ( 0.478 1.327 -1.244) 1.881 9.490 ( 1.705 4.392 -3.100) 5.640 9.599 ( -3.289 -2.718 1.849) 4.650 9.772 ( 2.906 -5.708 3.016) 7.080 10.157 ( 0.475 -5.736 -5.043) 7.653 10.227 ( 3.158 -3.570 -5.744) 7.464 10.531 ( 0.559 -0.085 2.913) 2.968 10.585 ( -3.843 -2.869 3.350) 5.851 10.713 ( -10.209 0.952 -0.974) 10.299 10.830 ( 3.868 2.429 5.852) 7.423 10.899 ( -0.358 2.295 0.045) 2.324 11.120 ( 5.446 4.638 -0.878) 7.207 11.588 ( 4.674 -5.065 6.038) 9.162 11.765 ( -3.924 -1.660 -5.859) 7.244 12.316 ( 0.603 3.304 1.394) 3.637 12.491 ( -2.599 2.045 -4.629) 5.689 13.022 ( 1.718 -0.164 0.062) 1.727 13.048 ( 1.831 -0.676 -0.429) 1.998 13.617 ( -1.243 0.711 2.044) 2.496 13.698 ( -2.477 1.724 -0.071) 3.019 13.833 ( 2.830 2.723 2.333) 4.568 13.949 ( -0.552 3.448 -0.345) 3.509 14.314 ( 2.104 3.333 3.514) 5.280 14.649 ( 3.474 4.017 5.134) 7.387 14.827 ( 2.559 6.493 -6.181) 9.322 14.858 ( 5.910 9.263 -2.054) 11.178 15.734 ( -8.211 -14.386 -2.333) 16.728 15.937 ( -0.519 -16.545 0.588) 16.563 17.925 ( -0.170 -0.184 0.151) 0.293 17.941 ( -0.610 -0.871 -0.617) 1.230 ======================= Grid point 173 (75/168) ======================= q-point: ( 0.36 0.36 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 6.664 0.000 -2.005) 6.959 1.516 ( 7.451 0.000 -6.273) 9.740 1.572 ( 16.873 0.000 1.732) 16.961 1.840 ( 3.515 0.000 -1.059) 3.671 1.852 ( 4.520 0.000 9.027) 10.096 1.892 ( 4.447 0.000 2.179) 4.952 2.179 ( -5.964 -0.000 0.285) 5.971 2.258 ( -5.787 -0.000 -0.854) 5.850 2.307 ( 4.996 0.000 0.579) 5.029 2.590 ( 2.752 0.000 2.813) 3.936 2.910 ( -3.526 -0.000 -13.830) 14.272 3.045 ( 6.444 0.000 -5.905) 8.741 3.234 ( -3.264 -0.000 8.244) 8.867 3.273 ( 1.775 0.000 1.675) 2.441 3.468 ( 1.318 0.000 -3.492) 3.732 3.612 ( 0.375 0.000 5.802) 5.814 4.178 ( -5.863 -0.000 -0.598) 5.894 4.425 ( -0.291 -0.000 1.259) 1.292 4.522 ( 5.562 0.000 -2.963) 6.302 4.600 ( -0.795 -0.000 -0.281) 0.843 4.861 ( 1.341 0.000 2.046) 2.446 4.883 ( 1.764 0.000 -2.019) 2.681 5.070 ( -6.039 -0.000 6.270) 8.706 5.147 ( 0.944 0.000 -3.182) 3.319 5.293 ( -1.524 -0.000 3.329) 3.661 5.485 ( -4.308 -0.000 -0.790) 4.380 5.578 ( -4.469 -0.000 0.036) 4.469 5.724 ( 1.935 0.000 -0.637) 2.037 5.893 ( -1.747 -0.000 -1.132) 2.081 6.090 ( -7.045 -0.000 2.137) 7.362 6.344 ( 3.963 0.000 6.078) 7.256 6.359 ( -0.468 -0.000 -2.149) 2.200 6.789 ( -7.200 -0.000 -4.023) 8.248 7.021 ( 0.432 0.000 0.027) 0.433 7.331 ( -1.462 -0.000 -3.556) 3.845 7.710 ( -1.721 -0.000 -0.850) 1.920 8.006 ( 0.896 0.000 0.359) 0.965 8.184 ( -0.759 -0.000 0.738) 1.058 8.315 ( 0.417 0.000 -0.170) 0.451 8.418 ( -1.027 -0.000 1.722) 2.005 8.483 ( -1.838 -0.000 1.032) 2.108 8.527 ( 2.194 0.000 -1.365) 2.584 9.315 ( 5.802 0.000 1.185) 5.922 9.466 ( 3.106 0.000 -2.523) 4.002 9.689 ( -2.765 -0.000 0.837) 2.889 9.819 ( -1.455 -0.000 -4.818) 5.033 10.033 ( -11.626 -0.000 1.973) 11.792 10.093 ( -0.308 -0.000 0.512) 0.597 10.318 ( -3.400 -0.000 -4.998) 6.045 10.383 ( -0.108 -0.000 -1.055) 1.061 10.555 ( -4.338 -0.000 3.489) 5.567 10.906 ( 1.935 0.000 0.909) 2.138 10.910 ( -4.920 -0.000 5.388) 7.297 11.176 ( 2.416 0.000 1.310) 2.748 12.110 ( 12.166 0.000 -9.409) 15.380 12.178 ( 1.594 0.000 2.276) 2.779 12.326 ( 4.793 0.000 -1.675) 5.078 12.646 ( 6.545 0.000 1.622) 6.743 12.945 ( -5.671 -0.000 0.781) 5.725 12.975 ( -0.835 -0.000 -0.478) 0.962 13.563 ( 1.145 0.000 0.281) 1.179 13.620 ( -3.078 -0.000 1.776) 3.553 13.863 ( 2.876 0.000 -1.432) 3.213 13.898 ( 1.805 0.000 0.701) 1.936 14.000 ( 2.845 0.000 0.449) 2.880 14.323 ( 5.045 0.000 -0.169) 5.048 14.614 ( -1.163 -0.000 -5.896) 6.010 15.094 ( -0.191 -0.000 14.120) 14.121 16.436 ( -2.639 -0.000 -6.863) 7.353 16.702 ( -2.291 -0.000 0.265) 2.306 17.860 ( -0.920 -0.000 0.155) 0.933 17.928 ( -0.286 -0.000 -0.226) 0.365 ======================= Grid point 174 (76/168) ======================= q-point: ( 0.45 0.36 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 5.170 0.059 -2.738) 5.851 1.568 ( 8.759 -1.763 -6.404) 10.993 1.710 ( 12.496 -1.877 -1.753) 12.757 1.865 ( 0.034 -2.696 -2.742) 3.846 1.940 ( 1.764 -3.084 8.474) 9.188 1.940 ( -0.204 -1.109 3.028) 3.231 2.148 ( -4.410 -0.889 2.526) 5.159 2.230 ( -2.946 -1.094 0.629) 3.205 2.408 ( 2.335 -8.864 -0.493) 9.180 2.616 ( 0.270 2.181 5.420) 5.849 2.793 ( 1.557 3.598 -11.620) 12.264 3.090 ( 5.104 -2.766 -6.126) 8.440 3.236 ( -3.610 0.733 7.113) 8.010 3.302 ( 1.574 0.438 3.420) 3.790 3.461 ( 2.017 0.014 -3.357) 3.917 3.656 ( -1.102 -2.641 1.737) 3.348 4.127 ( -4.225 0.823 -1.656) 4.612 4.285 ( 1.349 12.210 0.886) 12.316 4.539 ( -2.270 1.030 -1.292) 2.808 4.644 ( 3.229 -2.493 -2.007) 4.546 4.800 ( 0.361 4.459 -0.041) 4.474 4.933 ( 0.407 -1.674 -1.631) 2.372 5.021 ( -4.229 3.382 5.945) 8.041 5.121 ( 0.669 1.016 -3.044) 3.278 5.292 ( -1.203 1.253 4.055) 4.412 5.497 ( -0.793 -3.389 -0.439) 3.508 5.608 ( -2.875 -5.820 1.459) 6.654 5.751 ( 0.642 -2.007 -1.624) 2.660 5.872 ( -2.450 0.167 -0.002) 2.456 5.999 ( -5.299 5.168 0.494) 7.418 6.281 ( 4.720 4.753 -0.432) 6.713 6.436 ( -1.662 -1.967 1.805) 3.145 6.668 ( -2.304 4.534 -0.744) 5.140 7.043 ( -0.642 -0.890 -2.342) 2.586 7.275 ( 0.457 5.583 3.580) 6.648 7.676 ( -0.722 2.618 0.349) 2.738 8.040 ( -0.227 -3.489 -1.053) 3.651 8.239 ( -0.608 -6.955 -1.455) 7.132 8.410 ( -0.912 -0.936 -0.370) 1.358 8.423 ( -0.158 -4.982 -1.096) 5.104 8.482 ( -0.154 -6.586 1.523) 6.761 8.589 ( 0.079 -5.312 0.556) 5.341 9.354 ( 4.583 1.289 0.859) 4.837 9.467 ( 2.624 1.114 -1.954) 3.456 9.650 ( -1.764 1.985 0.004) 2.656 9.773 ( -3.209 0.358 -6.347) 7.121 9.977 ( -7.403 -0.298 4.738) 8.795 10.123 ( 1.917 -2.193 -0.597) 2.973 10.280 ( -2.981 -1.239 -3.353) 4.654 10.409 ( 0.429 -3.646 -1.690) 4.041 10.547 ( -3.051 -0.443 4.670) 5.596 10.881 ( -3.673 2.469 6.422) 7.800 10.906 ( 0.709 1.484 -0.324) 1.676 11.223 ( 1.052 -2.927 0.831) 3.220 12.007 ( 5.646 11.096 -3.040) 12.815 12.284 ( 2.971 -4.179 -1.741) 5.415 12.362 ( 6.641 0.103 -3.214) 7.379 12.626 ( 2.598 4.831 -4.097) 6.847 12.902 ( -5.296 0.123 1.183) 5.428 12.972 ( -0.773 -0.414 -0.487) 1.003 13.546 ( -0.143 1.121 -1.505) 1.882 13.616 ( -2.332 -0.921 1.803) 3.089 13.875 ( 2.704 0.186 -1.583) 3.138 13.934 ( 0.660 -2.630 0.199) 2.719 14.076 ( 1.838 -5.448 1.179) 5.869 14.455 ( 3.196 -10.810 -2.512) 11.549 14.601 ( 3.440 1.371 4.727) 6.005 15.137 ( -3.349 1.385 14.795) 15.233 16.317 ( 0.181 8.372 -7.680) 11.362 16.603 ( -2.067 8.719 -2.869) 9.409 17.859 ( -0.672 -0.509 0.285) 0.890 17.922 ( -0.283 0.293 -0.402) 0.572 ======================= Grid point 175 (77/168) ======================= q-point: ( 0.55 0.36 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 2.873 1.881 -2.339) 4.155 1.609 ( 7.461 0.232 -9.459) 12.049 1.819 ( 8.776 -0.084 -0.198) 8.778 1.902 ( -4.321 -6.432 -3.430) 8.474 1.969 ( -3.207 -4.573 -1.336) 5.743 2.051 ( 0.548 -3.458 7.478) 8.257 2.154 ( -3.046 -1.933 -0.008) 3.607 2.248 ( -2.121 -1.832 3.129) 4.200 2.537 ( -6.036 -0.616 -3.507) 7.008 2.656 ( 6.371 -10.185 0.862) 12.044 2.738 ( 3.943 1.968 1.100) 4.542 3.138 ( 0.970 -2.367 -3.160) 4.065 3.228 ( -2.443 0.333 3.137) 3.990 3.307 ( 2.601 3.015 4.382) 5.921 3.481 ( 3.082 -1.732 -2.016) 4.069 3.678 ( -2.006 -0.687 -0.904) 2.305 4.031 ( -1.464 7.215 -2.085) 7.652 4.145 ( -0.470 3.728 2.864) 4.725 4.483 ( -1.733 2.719 -0.901) 3.348 4.654 ( -0.395 1.365 -1.077) 1.783 4.726 ( -0.062 5.340 0.823) 5.403 4.897 ( -1.730 1.554 -2.417) 3.354 4.995 ( 0.140 1.752 3.564) 3.974 5.125 ( 2.313 -1.117 -2.416) 3.526 5.279 ( -0.544 1.337 3.785) 4.051 5.528 ( 1.925 1.161 0.069) 2.249 5.702 ( -1.971 -6.025 0.330) 6.348 5.757 ( 0.014 1.113 -2.895) 3.101 5.864 ( -0.440 2.185 0.991) 2.440 5.872 ( -5.640 0.377 -0.455) 5.670 6.278 ( 5.771 0.160 -1.223) 5.901 6.428 ( -2.680 -0.173 -0.215) 2.695 6.620 ( -0.504 1.618 2.282) 2.842 7.004 ( -1.273 2.075 -4.779) 5.364 7.208 ( 1.548 6.168 8.590) 10.688 7.621 ( 0.640 4.141 1.643) 4.500 8.081 ( -0.188 -1.826 -2.173) 2.844 8.359 ( -0.734 -8.004 -2.641) 8.460 8.402 ( -1.430 -0.477 -0.341) 1.546 8.441 ( 0.319 -0.503 -1.168) 1.311 8.725 ( 0.326 -11.764 0.849) 11.799 8.732 ( -0.835 -16.277 1.006) 16.329 9.346 ( 1.197 2.447 0.345) 2.746 9.450 ( 1.438 2.059 -1.248) 2.804 9.608 ( -0.706 1.536 -0.368) 1.730 9.718 ( -1.011 0.264 -6.092) 6.181 9.953 ( -5.506 -0.224 4.218) 6.939 10.164 ( 4.710 -0.049 -3.631) 5.948 10.297 ( -2.496 -4.421 0.204) 5.081 10.493 ( 0.896 -6.334 -1.627) 6.600 10.571 ( -0.777 -1.387 4.584) 4.852 10.838 ( -3.388 3.178 8.171) 9.399 10.868 ( -0.089 2.777 -1.141) 3.004 11.284 ( -0.034 -3.211 -0.259) 3.222 11.835 ( 2.977 12.042 0.336) 12.409 12.306 ( 1.086 4.772 -5.343) 7.246 12.359 ( 1.911 0.538 -1.471) 2.471 12.566 ( 3.207 0.169 -6.264) 7.039 12.877 ( -3.840 -0.838 1.329) 4.149 12.972 ( -0.383 -0.377 -0.498) 0.733 13.535 ( -0.343 -0.811 -0.853) 1.226 13.630 ( -1.648 -1.494 1.841) 2.888 13.883 ( 2.145 0.120 -1.900) 2.868 13.989 ( -0.962 -3.708 -0.045) 3.831 14.207 ( 1.119 -7.474 1.412) 7.688 14.571 ( 2.536 -1.060 1.216) 3.006 14.758 ( 6.162 -10.727 5.117) 13.387 15.140 ( -5.577 1.598 13.453) 14.651 16.095 ( 2.164 14.569 -7.362) 16.466 16.364 ( -2.246 14.616 -5.331) 15.719 17.868 ( -0.406 -0.851 0.280) 0.984 17.912 ( -0.181 0.375 -0.452) 0.614 ======================= Grid point 176 (78/168) ======================= q-point: (-0.36 -0.64 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.244 3.386 -1.228) 3.611 1.619 ( 3.450 -2.544 -10.142) 11.010 1.814 ( -0.767 2.586 -0.128) 2.701 1.951 ( -3.731 -3.444 -0.618) 5.115 2.084 ( 0.316 -9.886 -3.348) 10.442 2.108 ( -3.092 -0.675 0.388) 3.188 2.144 ( -0.093 1.115 -0.678) 1.309 2.253 ( -1.793 0.742 -0.714) 2.067 2.509 ( -3.585 -5.613 -2.719) 7.194 2.730 ( 2.586 -0.676 0.979) 2.847 2.936 ( 5.858 -9.225 4.495) 11.816 3.176 ( -1.626 -3.157 3.286) 4.838 3.194 ( -1.551 2.621 -0.101) 3.047 3.289 ( 4.477 4.584 5.008) 8.132 3.550 ( 3.525 -3.417 -0.314) 4.919 3.622 ( -3.523 2.887 -4.659) 6.515 3.935 ( -0.015 2.867 3.908) 4.846 4.133 ( -0.280 -0.543 0.826) 1.027 4.421 ( -1.775 2.267 -0.853) 3.003 4.587 ( -0.652 4.687 -2.193) 5.216 4.649 ( -0.334 4.189 4.971) 6.510 4.871 ( 0.516 0.018 -2.758) 2.806 4.982 ( 0.362 1.359 2.162) 2.579 5.119 ( 0.743 2.530 -3.455) 4.346 5.277 ( 0.516 1.529 4.580) 4.856 5.508 ( 1.973 2.279 0.345) 3.034 5.677 ( 0.621 4.701 -2.504) 5.362 5.746 ( -2.612 -1.656 -5.002) 5.881 5.844 ( 0.366 -1.602 2.656) 3.123 5.901 ( -1.294 -2.985 1.293) 3.501 6.322 ( -0.089 -2.135 -1.546) 2.638 6.423 ( 1.693 0.095 -0.206) 1.708 6.590 ( -3.518 1.362 0.949) 3.890 6.931 ( -1.594 2.039 -5.466) 6.048 7.179 ( 3.097 3.893 8.283) 9.662 7.567 ( 1.687 4.045 1.249) 4.557 8.093 ( 1.559 -0.547 0.101) 1.655 8.392 ( -2.096 -0.536 -0.733) 2.285 8.441 ( 0.712 -0.548 -0.402) 0.984 8.461 ( -1.315 -4.898 -3.290) 6.045 8.952 ( 0.246 -14.200 1.045) 14.241 9.011 ( -0.761 -15.745 -0.368) 15.768 9.309 ( -0.097 2.269 0.593) 2.347 9.413 ( 0.026 2.044 -0.556) 2.119 9.583 ( -0.312 0.851 -0.096) 0.911 9.690 ( 1.191 -0.088 -6.248) 6.361 9.941 ( -3.302 -0.643 2.417) 4.142 10.168 ( 5.173 1.494 -4.568) 7.061 10.374 ( -0.347 -4.891 1.554) 5.143 10.598 ( -0.292 -3.724 -3.291) 4.979 10.622 ( 2.896 -3.588 4.592) 6.508 10.799 ( -4.179 1.916 2.168) 5.082 10.824 ( -0.612 2.001 7.395) 7.685 11.319 ( -0.487 -1.477 -1.370) 2.073 11.667 ( 1.220 10.516 4.029) 11.327 12.133 ( -2.662 8.254 -7.822) 11.679 12.378 ( 0.813 -0.772 0.132) 1.129 12.576 ( 1.487 -1.238 -5.851) 6.163 12.888 ( -0.668 -1.958 1.156) 2.370 12.976 ( 0.385 -0.426 -0.591) 0.824 13.555 ( -0.438 -1.760 0.462) 1.872 13.657 ( -1.141 -1.994 1.503) 2.745 13.889 ( 1.965 0.212 -1.057) 2.241 14.035 ( -2.437 -3.316 -0.682) 4.172 14.338 ( 0.102 -5.531 2.333) 6.003 14.619 ( 5.359 1.127 7.856) 9.576 14.992 ( 2.952 -9.668 -1.373) 10.202 15.150 ( -5.451 -3.165 8.825) 10.845 15.803 ( 2.842 17.979 -5.690) 19.071 16.042 ( -3.194 17.307 -5.880) 18.555 17.883 ( -0.127 -0.978 0.116) 0.994 17.905 ( 0.048 0.084 -0.360) 0.372 ======================= Grid point 177 (79/168) ======================= q-point: (-0.27 -0.64 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -1.534 1.170 0.780) 2.081 1.655 ( 1.361 -4.578 -10.567) 11.596 1.738 ( -2.976 4.308 -0.603) 5.271 1.942 ( -10.594 -0.543 -3.359) 11.127 2.023 ( 1.151 2.874 -4.584) 5.531 2.114 ( -0.119 3.408 -1.859) 3.883 2.200 ( -0.186 -4.730 1.653) 5.014 2.282 ( 2.263 -4.957 -0.117) 5.450 2.636 ( -0.658 -10.131 0.233) 10.155 2.780 ( 0.127 -2.765 1.414) 3.109 3.064 ( 3.647 -0.156 2.289) 4.309 3.104 ( 0.962 5.743 0.018) 5.823 3.266 ( 4.457 2.317 5.287) 7.293 3.300 ( -0.405 -4.666 4.613) 6.574 3.496 ( -3.784 4.374 -4.466) 7.307 3.629 ( 0.525 -1.985 -0.400) 2.092 3.955 ( 1.211 -1.459 5.284) 5.614 4.155 ( 0.223 -2.035 0.063) 2.048 4.374 ( -2.108 1.024 -1.361) 2.710 4.512 ( 2.459 3.374 -1.869) 4.574 4.610 ( -0.970 2.956 6.041) 6.795 4.860 ( 1.235 1.421 -1.149) 2.205 4.977 ( -0.016 0.231 -0.581) 0.625 5.038 ( -0.447 3.950 -2.522) 4.708 5.280 ( 1.078 0.981 5.360) 5.555 5.466 ( -4.094 1.856 -1.271) 4.671 5.619 ( 0.547 2.015 -1.787) 2.748 5.741 ( 3.865 -1.363 -5.069) 6.519 5.894 ( 3.299 -0.121 4.967) 5.964 5.948 ( -1.227 -2.472 1.052) 2.954 6.317 ( -3.219 -0.067 -1.907) 3.742 6.431 ( -0.298 0.153 -1.099) 1.149 6.532 ( -3.991 1.686 0.389) 4.351 6.855 ( -2.035 1.823 -7.493) 7.976 7.210 ( 4.369 0.603 7.631) 8.814 7.523 ( 1.111 2.290 -1.791) 3.113 8.145 ( 3.571 -1.701 4.883) 6.284 8.382 ( -1.165 -0.423 -1.013) 1.601 8.443 ( 0.466 0.324 -0.039) 0.569 8.498 ( -2.213 -2.952 -4.143) 5.547 9.174 ( -2.044 -10.248 0.912) 10.490 9.226 ( -2.618 -10.993 -0.988) 11.343 9.292 ( 2.056 -0.106 1.216) 2.391 9.392 ( 1.732 0.514 0.611) 1.907 9.575 ( 0.113 0.009 0.472) 0.486 9.670 ( 1.025 0.372 -6.096) 6.193 9.947 ( -0.518 -1.338 -0.332) 1.472 10.162 ( 5.306 1.362 -4.569) 7.133 10.454 ( 0.695 -3.104 1.707) 3.610 10.600 ( 0.757 0.989 -1.039) 1.622 10.742 ( -5.544 -0.139 1.168) 5.668 10.750 ( 2.407 -5.249 1.345) 5.929 10.851 ( -0.137 0.007 9.692) 9.693 11.312 ( -0.273 0.931 -2.011) 2.233 11.552 ( 1.209 6.981 7.216) 10.113 11.945 ( -4.252 6.048 -7.991) 10.886 12.392 ( 0.443 -0.021 0.688) 0.818 12.564 ( -1.592 -0.581 -5.187) 5.457 12.938 ( 2.098 -2.450 0.631) 3.287 12.987 ( 1.366 -0.458 -0.766) 1.632 13.585 ( -0.912 -1.666 1.544) 2.448 13.689 ( -0.843 -1.981 0.864) 2.320 13.897 ( 2.159 0.621 0.881) 2.413 14.051 ( -2.949 -1.599 -1.522) 3.684 14.398 ( -1.424 -0.740 2.951) 3.360 14.690 ( 5.828 1.423 10.939) 12.476 15.094 ( -1.049 -4.949 -3.355) 6.070 15.250 ( -5.012 -8.303 -5.777) 11.289 15.527 ( 6.460 14.417 1.763) 15.896 15.693 ( -5.001 16.775 -4.085) 17.975 17.899 ( 0.076 -0.875 -0.065) 0.881 17.907 ( 0.186 -0.327 -0.211) 0.431 ======================= Grid point 178 (80/168) ======================= q-point: (-0.18 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -2.366 -0.170 2.423) 3.391 1.611 ( -3.754 5.114 -4.555) 7.810 1.642 ( -1.748 3.125 -4.591) 5.822 1.865 ( -2.266 -1.597 -9.120) 9.532 1.986 ( 1.803 2.935 1.681) 3.833 2.037 ( 0.316 3.312 -2.267) 4.026 2.306 ( 1.244 -5.718 2.871) 6.518 2.378 ( -0.854 -4.067 2.490) 4.844 2.793 ( -1.275 -7.653 1.026) 7.826 2.820 ( -0.135 -1.128 -0.689) 1.329 3.023 ( 0.155 3.495 0.705) 3.569 3.083 ( 3.043 1.896 3.016) 4.685 3.267 ( 6.385 3.919 1.939) 7.738 3.332 ( -0.743 3.254 -4.815) 5.859 3.437 ( -1.634 -2.326 4.843) 5.616 3.612 ( -2.389 1.994 -1.627) 3.512 4.034 ( 0.859 -3.383 4.734) 5.881 4.204 ( -1.147 -2.475 2.058) 3.417 4.336 ( 0.979 0.988 -3.266) 3.550 4.480 ( 0.813 1.160 -1.856) 2.335 4.608 ( 0.956 -0.283 3.637) 3.771 4.818 ( 0.565 3.841 -0.567) 3.923 4.958 ( -0.411 0.098 -1.101) 1.179 5.001 ( 0.787 0.685 -0.228) 1.068 5.309 ( -1.627 -0.107 5.379) 5.621 5.398 ( -5.986 -0.979 -1.154) 6.175 5.594 ( 1.081 0.524 -2.037) 2.365 5.794 ( 7.714 -1.863 -4.267) 9.010 5.948 ( 0.299 -0.625 4.572) 4.625 5.963 ( 3.443 1.588 2.897) 4.772 6.265 ( -3.866 1.935 -1.214) 4.491 6.393 ( -6.057 -0.561 -4.073) 7.321 6.497 ( -0.955 0.820 2.118) 2.464 6.774 ( -0.670 1.682 -7.536) 7.751 7.284 ( 3.115 -1.532 6.274) 7.171 7.494 ( -0.145 -0.109 -3.901) 3.905 8.234 ( 3.231 -1.588 6.824) 7.715 8.385 ( 0.756 -0.894 -0.860) 1.453 8.434 ( -0.047 1.113 -0.000) 1.114 8.496 ( -3.010 -2.065 -4.532) 5.819 9.226 ( -1.943 0.058 1.622) 2.532 9.303 ( -5.063 -2.894 -0.725) 5.877 9.370 ( 1.620 -3.252 -0.286) 3.645 9.457 ( 3.052 -3.689 3.277) 5.802 9.604 ( 0.884 -3.280 0.669) 3.462 9.627 ( 1.387 2.675 -4.695) 5.579 9.983 ( 2.457 -3.193 -3.120) 5.096 10.166 ( 4.985 0.295 -4.547) 6.754 10.497 ( -0.885 -1.067 1.928) 2.375 10.585 ( 0.567 1.129 0.721) 1.454 10.696 ( -8.596 -1.195 -0.445) 8.690 10.863 ( 2.342 -3.988 1.037) 4.739 10.896 ( 1.648 0.834 8.747) 8.940 11.267 ( 0.512 3.039 -2.227) 3.802 11.529 ( 3.088 2.164 8.827) 9.598 11.792 ( -4.705 3.349 -7.690) 9.617 12.391 ( 0.404 1.038 1.176) 1.619 12.526 ( -3.066 0.096 -4.634) 5.558 12.996 ( 1.846 -1.720 -0.242) 2.534 13.009 ( 3.256 -0.916 -0.405) 3.406 13.607 ( -1.578 -1.071 2.090) 2.830 13.711 ( -1.172 -0.900 0.528) 1.569 13.908 ( 2.145 1.282 2.811) 3.761 14.030 ( -2.087 0.469 -2.150) 3.033 14.387 ( -1.066 1.556 2.717) 3.307 14.746 ( 4.054 3.021 10.543) 11.693 15.074 ( -3.020 3.637 -12.255) 13.135 15.232 ( 5.192 1.297 -10.212) 11.529 15.395 ( -11.843 6.759 1.474) 13.716 15.548 ( 5.649 -4.392 6.735) 9.826 17.911 ( 0.032 -0.587 -0.155) 0.608 17.916 ( 0.149 -0.600 -0.087) 0.624 ======================= Grid point 179 (81/168) ======================= q-point: (-0.09 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -2.151 1.787 2.616) 3.829 1.491 ( 0.544 5.697 1.535) 5.925 1.541 ( 0.188 5.130 -2.949) 5.920 1.767 ( 3.644 8.416 -6.352) 11.156 1.967 ( -0.157 3.193 -3.005) 4.387 2.050 ( 1.695 -5.433 0.823) 5.751 2.381 ( -1.304 2.721 4.888) 5.744 2.430 ( -1.645 -4.379 1.526) 4.920 2.784 ( -0.601 3.409 -1.421) 3.742 2.837 ( -0.939 3.278 -0.572) 3.458 3.008 ( 0.471 -1.990 2.230) 3.026 3.124 ( 2.521 -1.557 3.569) 4.638 3.219 ( 1.359 3.053 -2.258) 4.033 3.299 ( 4.660 0.619 -3.831) 6.064 3.489 ( 0.503 0.528 5.588) 5.636 3.535 ( -2.710 1.433 -4.017) 5.053 4.079 ( -2.211 0.929 0.376) 2.427 4.212 ( -3.554 -2.662 0.474) 4.466 4.365 ( 4.554 -1.249 0.880) 4.804 4.485 ( -1.301 -2.704 -0.196) 3.007 4.652 ( 2.332 -2.353 -1.677) 3.714 4.757 ( 0.686 3.143 -0.522) 3.259 4.970 ( 0.223 -1.467 0.487) 1.562 5.002 ( -0.192 -0.326 1.760) 1.800 5.282 ( -4.755 0.794 3.119) 5.741 5.416 ( -4.294 -4.289 -0.439) 6.084 5.598 ( 1.532 -0.722 -1.457) 2.234 5.894 ( 9.602 -3.837 -2.421) 10.620 5.919 ( -2.413 1.430 -0.885) 2.941 6.013 ( 6.553 2.682 6.758) 9.788 6.189 ( -4.403 2.343 0.489) 5.012 6.332 ( -7.176 -0.571 -3.583) 8.041 6.501 ( -1.377 -1.318 0.777) 2.058 6.737 ( 2.875 -0.030 -4.195) 5.086 7.356 ( -0.634 -3.081 2.003) 3.729 7.491 ( 0.126 -1.307 -1.666) 2.121 8.286 ( 0.087 0.157 2.384) 2.391 8.395 ( 1.328 2.549 0.224) 2.883 8.426 ( 0.193 -1.674 1.510) 2.262 8.488 ( -2.546 -1.865 -3.372) 4.618 9.200 ( -0.893 2.744 1.998) 3.510 9.279 ( -4.213 1.031 -1.048) 4.462 9.373 ( 1.201 3.114 -0.029) 3.338 9.531 ( -1.974 -1.439 -4.368) 5.005 9.563 ( 0.253 1.902 3.831) 4.284 9.722 ( 5.073 -5.440 3.727) 8.320 10.057 ( 3.112 -4.540 -5.076) 7.488 10.190 ( 4.674 -1.307 -4.279) 6.470 10.508 ( -3.404 -1.532 2.577) 4.536 10.574 ( -1.065 1.009 2.094) 2.557 10.635 ( -8.584 -0.280 -1.798) 8.775 10.902 ( 0.995 0.662 -1.526) 1.938 10.936 ( 1.097 1.170 7.694) 7.860 11.214 ( 2.889 3.144 -1.388) 4.490 11.589 ( 2.063 -1.320 4.096) 4.773 11.704 ( -1.509 -0.299 -2.453) 2.895 12.375 ( 0.866 2.126 1.423) 2.701 12.473 ( -2.785 0.831 -4.093) 5.020 13.025 ( 1.772 -0.870 -0.693) 2.092 13.052 ( 2.580 -0.648 -0.126) 2.663 13.615 ( -1.881 -0.334 2.063) 2.812 13.702 ( -2.009 0.755 0.639) 2.239 13.906 ( 1.034 2.195 2.376) 3.396 13.993 ( 0.349 1.988 -0.787) 2.166 14.381 ( 2.267 0.892 2.391) 3.413 14.741 ( 0.269 3.540 3.907) 5.279 14.923 ( 0.908 5.780 -8.536) 10.349 15.081 ( 5.900 12.611 -4.988) 14.789 15.416 ( -8.963 -13.571 -2.475) 16.451 15.728 ( 1.693 -9.379 6.253) 11.399 17.918 ( -0.129 -0.420 -0.080) 0.446 17.925 ( -0.179 -0.465 -0.080) 0.504 ======================= Grid point 185 (82/168) ======================= q-point: ( 0.45 0.45 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 3.183 0.000 -3.187) 4.504 1.576 ( 5.820 0.000 -3.015) 6.555 1.759 ( 6.253 0.000 -4.070) 7.461 1.833 ( -0.101 -0.000 -4.315) 4.316 1.923 ( -4.270 -0.000 5.858) 7.249 1.944 ( -1.847 -0.000 2.311) 2.958 2.126 ( -2.860 -0.000 1.778) 3.367 2.234 ( 1.244 0.000 5.526) 5.664 2.354 ( 3.604 0.000 2.320) 4.286 2.635 ( -5.093 -0.000 -0.939) 5.179 2.807 ( 7.482 0.000 -7.423) 10.540 3.080 ( 5.594 0.000 -5.498) 7.844 3.254 ( -4.941 -0.000 8.084) 9.475 3.331 ( 1.249 0.000 2.508) 2.802 3.474 ( 4.375 0.000 -3.074) 5.347 3.615 ( -3.261 -0.000 1.590) 3.628 4.095 ( -3.403 -0.000 -2.000) 3.948 4.428 ( -0.590 -0.000 0.995) 1.156 4.525 ( 0.174 0.000 -2.588) 2.594 4.609 ( 2.903 0.000 -6.334) 6.968 4.845 ( -2.738 -0.000 -1.268) 3.017 4.894 ( 1.840 0.000 -1.482) 2.363 5.048 ( -5.079 -0.000 6.736) 8.436 5.125 ( 0.478 0.000 -3.196) 3.231 5.333 ( -0.984 -0.000 7.241) 7.307 5.440 ( -0.685 -0.000 0.345) 0.767 5.547 ( -0.216 -0.000 2.423) 2.432 5.728 ( 0.700 0.000 -2.233) 2.340 5.860 ( -0.686 -0.000 -1.741) 1.871 6.009 ( -4.033 -0.000 0.127) 4.035 6.354 ( 1.494 0.000 -0.504) 1.576 6.407 ( -3.052 -0.000 1.200) 3.279 6.702 ( 1.114 0.000 0.986) 1.487 7.026 ( 0.148 0.000 -0.295) 0.330 7.366 ( 3.310 0.000 6.029) 6.878 7.703 ( 0.425 0.000 1.664) 1.717 7.993 ( -0.768 -0.000 -3.096) 3.189 8.153 ( -1.740 -0.000 -3.173) 3.619 8.327 ( 0.637 0.000 0.998) 1.184 8.395 ( -1.367 -0.000 -0.964) 1.673 8.467 ( -1.210 -0.000 0.662) 1.379 8.553 ( 1.364 0.000 -0.246) 1.386 9.405 ( 2.800 0.000 0.483) 2.842 9.485 ( 2.198 0.000 -1.902) 2.907 9.649 ( -2.274 -0.000 -0.964) 2.470 9.725 ( -1.170 -0.000 -6.615) 6.718 9.960 ( -3.493 -0.000 6.403) 7.294 10.118 ( 2.108 0.000 0.764) 2.242 10.236 ( -1.201 -0.000 -3.789) 3.975 10.369 ( 0.304 0.000 -2.527) 2.545 10.547 ( -2.478 -0.000 6.124) 6.606 10.914 ( -2.301 -0.000 7.720) 8.056 10.916 ( -0.208 -0.000 -1.594) 1.608 11.204 ( -0.083 -0.000 0.697) 0.702 12.178 ( 6.414 0.000 -7.462) 9.839 12.207 ( -0.572 -0.000 2.156) 2.230 12.401 ( 7.336 0.000 -4.038) 8.373 12.641 ( -1.518 -0.000 -10.118) 10.231 12.868 ( -5.354 -0.000 2.094) 5.749 12.965 ( -0.043 -0.000 -0.384) 0.386 13.551 ( -0.460 -0.000 -2.593) 2.634 13.588 ( -2.280 -0.000 0.424) 2.320 13.883 ( 1.317 0.000 -1.407) 1.928 13.910 ( -0.088 -0.000 -0.904) 0.908 14.059 ( 1.502 0.000 3.142) 3.483 14.366 ( 1.495 0.000 -1.855) 2.382 14.701 ( 7.911 0.000 13.460) 15.612 15.181 ( -6.924 -0.000 15.509) 16.985 16.361 ( 2.820 0.000 -8.719) 9.164 16.636 ( -2.976 -0.000 -6.147) 6.830 17.852 ( -0.346 -0.000 0.453) 0.570 17.920 ( -0.123 -0.000 -0.641) 0.652 ======================= Grid point 186 (83/168) ======================= q-point: (-0.45 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.201 0.064 -3.102) 3.110 1.629 ( 4.957 -1.152 -4.438) 6.753 1.773 ( -1.347 -4.714 -4.976) 6.985 1.789 ( -5.114 0.343 -5.247) 7.335 1.927 ( -3.154 0.886 3.428) 4.742 1.984 ( -1.543 -6.124 4.141) 7.552 2.122 ( -0.577 -0.326 0.617) 0.905 2.275 ( 2.796 0.766 6.873) 7.459 2.435 ( -5.240 -3.696 0.975) 6.486 2.604 ( 4.773 -2.728 -1.326) 5.655 2.820 ( 6.270 2.476 -1.764) 6.968 3.104 ( 2.054 -0.612 -3.510) 4.112 3.232 ( -3.558 0.749 2.654) 4.502 3.346 ( -0.337 -1.061 -0.047) 1.114 3.488 ( 2.958 0.818 1.292) 3.330 3.638 ( -1.521 -2.586 2.198) 3.719 4.054 ( -1.852 1.050 -3.128) 3.784 4.305 ( 0.507 10.463 0.347) 10.481 4.505 ( -0.238 1.388 -1.943) 2.400 4.631 ( -0.413 -2.417 -5.487) 6.010 4.787 ( -1.700 2.777 -0.759) 3.344 4.897 ( -0.811 1.117 -1.701) 2.190 5.025 ( -2.431 1.119 4.021) 4.830 5.125 ( 2.244 -0.800 -1.198) 2.667 5.331 ( -0.602 2.157 6.678) 7.043 5.502 ( 1.234 -4.724 0.809) 4.949 5.607 ( 0.350 -3.948 2.248) 4.557 5.739 ( 0.967 -1.488 -2.928) 3.424 5.833 ( -1.839 1.121 -1.209) 2.470 5.943 ( -0.997 4.643 -0.783) 4.813 6.336 ( 0.249 2.569 -0.495) 2.628 6.386 ( -1.872 -1.415 -1.077) 2.582 6.696 ( 2.935 4.264 4.718) 7.003 7.015 ( -0.148 1.530 -2.642) 3.057 7.381 ( 3.916 5.599 9.744) 11.901 7.700 ( 1.719 2.535 2.865) 4.194 8.001 ( -1.580 -3.961 -3.877) 5.763 8.188 ( -1.760 -7.560 -5.166) 9.324 8.376 ( -1.462 -0.915 -1.215) 2.110 8.423 ( 1.025 -3.247 -1.339) 3.659 8.499 ( -0.156 -8.464 2.627) 8.863 8.597 ( 0.036 -4.721 0.355) 4.734 9.390 ( -1.396 2.019 -0.015) 2.454 9.483 ( 1.419 1.321 -1.566) 2.492 9.615 ( -1.971 1.003 -1.700) 2.789 9.701 ( 2.894 0.264 -5.728) 6.423 9.960 ( -1.213 1.439 5.691) 5.994 10.174 ( 3.732 -3.322 0.155) 4.999 10.224 ( 0.128 -0.801 -2.212) 2.356 10.394 ( 0.426 -4.068 -2.960) 5.049 10.571 ( -1.043 -0.968 6.877) 7.023 10.889 ( -1.180 1.477 -2.303) 2.980 10.915 ( -1.272 2.747 8.802) 9.308 11.227 ( -0.930 -2.698 0.180) 2.860 12.045 ( 1.884 10.349 -1.535) 10.631 12.287 ( -0.075 -3.258 -2.673) 4.215 12.410 ( 2.875 3.221 -5.885) 7.299 12.546 ( -1.400 0.742 -10.645) 10.762 12.847 ( -3.008 -0.485 2.429) 3.896 12.965 ( 0.205 -0.179 -0.697) 0.748 13.527 ( -0.115 0.498 -0.878) 1.016 13.593 ( -1.615 -1.761 0.018) 2.389 13.884 ( 0.759 -0.160 -1.648) 1.821 13.921 ( -1.325 -2.465 -1.562) 3.204 14.124 ( 0.930 -4.533 3.960) 6.090 14.439 ( -0.651 -8.484 -3.733) 9.292 14.844 ( 10.143 1.078 18.855) 21.438 15.174 ( -9.381 1.377 13.899) 16.825 16.280 ( 4.743 8.280 -8.066) 12.495 16.504 ( -3.127 8.010 -9.143) 12.551 17.857 ( -0.040 -0.421 0.515) 0.666 17.914 ( 0.006 0.273 -0.734) 0.783 ======================= Grid point 187 (84/168) ======================= q-point: (-0.36 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -3.359 0.936 -3.194) 4.729 1.593 ( -0.093 2.867 -7.792) 8.303 1.736 ( -9.401 -4.882 -4.143) 11.374 1.869 ( -7.392 -5.143 -0.065) 9.005 1.922 ( 2.164 -4.027 0.383) 4.587 2.092 ( 0.512 -3.499 2.857) 4.546 2.118 ( -0.621 -0.326 -2.613) 2.705 2.300 ( 2.135 2.141 2.534) 3.945 2.388 ( -6.543 -1.963 -0.105) 6.832 2.760 ( 8.142 -1.399 -4.143) 9.242 2.866 ( 4.914 -6.231 9.898) 12.686 3.102 ( -2.559 -2.041 -1.433) 3.573 3.213 ( -0.991 0.265 -1.635) 1.930 3.366 ( -0.224 -1.140 0.687) 1.350 3.520 ( 1.551 -1.747 1.885) 3.002 3.641 ( -1.029 2.771 -0.537) 3.004 4.000 ( -0.263 2.692 -0.085) 2.706 4.180 ( 2.041 5.002 1.736) 5.675 4.455 ( -0.789 3.042 -1.785) 3.614 4.614 ( -1.083 0.969 -3.038) 3.367 4.722 ( -1.998 3.006 1.086) 3.769 4.861 ( -0.103 0.787 -1.859) 2.021 5.012 ( -0.945 0.939 2.535) 2.864 5.151 ( 2.982 0.716 -2.114) 3.725 5.330 ( -0.241 1.439 6.828) 6.982 5.562 ( 1.313 0.828 0.745) 1.722 5.674 ( 0.957 -3.257 -2.745) 4.366 5.743 ( 1.939 2.084 -3.934) 4.856 5.786 ( -3.961 -0.515 0.507) 4.026 5.890 ( 2.138 0.319 0.461) 2.210 6.293 ( -3.434 0.293 -0.492) 3.481 6.413 ( 2.125 -1.265 -1.383) 2.833 6.653 ( 0.840 5.066 5.385) 7.441 6.947 ( -0.412 3.447 -4.921) 6.022 7.347 ( 4.014 7.003 10.143) 12.963 7.663 ( 1.818 4.855 0.980) 5.276 8.058 ( 0.068 -4.661 -0.985) 4.765 8.284 ( -2.356 -7.451 -6.354) 10.072 8.386 ( -0.719 -1.942 -0.092) 2.073 8.441 ( 0.916 -0.429 -1.002) 1.424 8.724 ( -0.975 -13.500 0.920) 13.566 8.748 ( 0.943 -13.426 1.137) 13.507 9.339 ( -2.360 1.785 0.281) 2.972 9.450 ( 0.833 2.411 -1.035) 2.753 9.575 ( -2.230 0.486 -2.136) 3.126 9.697 ( 4.727 0.937 -5.238) 7.117 9.953 ( 0.696 1.614 3.723) 4.117 10.220 ( 5.800 1.357 -3.528) 6.923 10.290 ( 0.824 -5.945 2.006) 6.328 10.475 ( 0.485 -6.406 -3.278) 7.212 10.627 ( 0.381 -1.979 6.591) 6.892 10.827 ( -2.018 3.002 -2.098) 4.181 10.896 ( -1.086 3.088 9.768) 10.301 11.269 ( -0.979 -2.917 -0.601) 3.135 11.871 ( 0.293 10.762 2.016) 10.954 12.197 ( -4.572 7.268 -10.686) 13.709 12.365 ( 0.224 -0.978 -0.418) 1.087 12.524 ( -0.847 -1.714 -6.355) 6.636 12.866 ( 0.889 -1.574 1.755) 2.519 12.971 ( 1.114 -0.485 -1.000) 1.573 13.533 ( 0.071 -0.991 0.859) 1.313 13.617 ( -0.970 -2.167 0.116) 2.377 13.892 ( 0.960 -0.692 -0.701) 1.375 13.947 ( -2.498 -3.307 -2.410) 4.794 14.249 ( 0.131 -6.640 4.345) 7.937 14.575 ( -1.106 -10.160 -3.927) 10.948 14.983 ( 7.578 1.378 17.307) 18.944 15.129 ( -9.862 1.330 9.881) 14.024 16.085 ( 4.638 14.812 -5.994) 16.639 16.249 ( -2.339 13.549 -10.568) 17.341 17.870 ( 0.259 -0.687 0.393) 0.833 17.907 ( 0.230 0.238 -0.625) 0.707 ======================= Grid point 188 (85/168) ======================= q-point: (-0.27 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -4.268 1.207 -1.773) 4.776 1.532 ( -3.404 -3.054 -8.894) 10.001 1.747 ( -5.423 -3.384 -0.474) 6.410 1.800 ( -12.736 0.584 -0.933) 12.784 2.058 ( -1.878 -6.769 0.830) 7.074 2.067 ( 1.775 0.564 -5.036) 5.369 2.140 ( -1.189 0.174 0.352) 1.252 2.301 ( 5.796 0.908 0.123) 5.868 2.458 ( -1.493 -8.399 2.204) 8.811 2.778 ( 3.570 0.751 -0.288) 3.659 3.081 ( 5.441 -4.970 4.889) 8.843 3.127 ( -3.513 -3.206 -4.208) 6.350 3.189 ( -2.255 -1.159 3.304) 4.165 3.387 ( 2.137 0.246 2.382) 3.210 3.532 ( -2.552 5.446 -3.288) 6.855 3.583 ( 0.271 -3.046 0.701) 3.137 3.991 ( 2.104 0.520 4.712) 5.186 4.161 ( 3.312 1.399 0.171) 3.599 4.385 ( -1.612 2.738 -0.616) 3.236 4.564 ( -0.300 2.837 -1.623) 3.282 4.676 ( -0.767 2.061 2.528) 3.351 4.855 ( 0.251 -0.765 -1.554) 1.750 4.997 ( -0.499 1.560 1.763) 2.406 5.102 ( 0.674 4.790 -2.924) 5.652 5.335 ( -0.922 1.096 5.954) 6.124 5.498 ( -1.587 5.330 -1.418) 5.739 5.666 ( 1.467 4.053 -3.484) 5.542 5.720 ( 4.857 -2.254 -3.861) 6.602 5.840 ( -1.835 -5.163 1.090) 5.586 5.943 ( 3.611 -2.418 1.827) 4.715 6.261 ( -5.236 -0.773 -1.301) 5.450 6.416 ( -1.604 1.231 -0.867) 2.200 6.602 ( 1.098 4.467 5.412) 7.103 6.862 ( -0.176 3.201 -5.410) 6.288 7.325 ( 4.625 4.418 8.381) 10.543 7.577 ( 0.106 5.003 -3.830) 6.301 8.150 ( 2.742 -3.777 4.460) 6.456 8.326 ( -1.733 -3.546 -6.024) 7.202 8.419 ( -1.485 -2.352 -0.654) 2.857 8.452 ( 1.221 -0.255 -0.135) 1.255 8.961 ( -0.282 -14.142 0.837) 14.170 8.992 ( -1.115 -13.499 -0.260) 13.547 9.307 ( -1.144 0.452 0.760) 1.446 9.424 ( 2.414 1.209 0.002) 2.700 9.547 ( -2.520 -0.597 -2.394) 3.527 9.692 ( 4.696 1.417 -3.854) 6.238 9.953 ( 2.510 1.128 0.870) 2.886 10.221 ( 5.842 1.988 -3.115) 6.912 10.405 ( 1.923 -4.855 1.724) 5.499 10.559 ( 0.046 -4.169 -3.285) 5.308 10.695 ( -1.695 -2.488 3.632) 4.717 10.749 ( -0.381 2.660 -0.451) 2.724 10.903 ( -0.732 0.769 10.824) 10.876 11.295 ( -0.812 -1.326 -1.447) 2.124 11.724 ( 0.191 8.614 5.944) 10.468 11.979 ( -5.415 7.186 -9.955) 13.419 12.388 ( 0.149 -1.094 0.600) 1.257 12.505 ( -3.421 -1.190 -4.727) 5.956 12.923 ( 3.076 -2.189 0.941) 3.891 12.988 ( 2.414 -0.588 -1.366) 2.836 13.560 ( -0.514 -1.472 1.706) 2.312 13.651 ( -0.282 -2.297 0.369) 2.344 13.915 ( 1.384 -0.748 1.119) 1.930 13.967 ( -3.048 -3.301 -3.606) 5.761 14.361 ( -1.987 -4.239 4.613) 6.572 14.720 ( 0.364 -8.707 -1.376) 8.822 15.057 ( 1.043 2.949 11.045) 11.479 15.083 ( -9.121 -2.100 1.661) 9.506 15.834 ( 4.992 15.708 -0.725) 16.498 15.931 ( -0.648 16.405 -9.823) 19.133 17.887 ( 0.500 -0.753 0.174) 0.921 17.905 ( 0.421 -0.018 -0.372) 0.563 ======================= Grid point 189 (86/168) ======================= q-point: (-0.18 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -3.460 -0.892 0.622) 3.627 1.542 ( -4.230 -4.528 -8.150) 10.238 1.670 ( -6.116 2.680 0.218) 6.681 1.770 ( -3.760 -3.292 -0.606) 5.035 2.050 ( 1.168 1.407 1.532) 2.386 2.087 ( -0.264 3.133 -2.359) 3.931 2.177 ( -3.125 -8.072 -0.252) 8.659 2.351 ( 5.550 -0.964 -0.021) 5.633 2.630 ( -0.135 -10.548 1.300) 10.629 2.800 ( 1.620 -0.825 0.305) 1.844 3.066 ( -2.572 2.730 -2.889) 4.734 3.139 ( 2.416 1.079 -0.158) 2.651 3.276 ( -3.850 -5.467 1.611) 6.878 3.390 ( -0.399 3.018 0.729) 3.131 3.442 ( 3.243 2.156 1.230) 4.083 3.609 ( -2.194 -0.175 -0.178) 2.208 4.048 ( 3.672 -0.838 5.709) 6.840 4.177 ( 2.307 -1.218 -0.241) 2.619 4.335 ( -1.130 1.976 -1.207) 2.577 4.502 ( -1.347 2.610 -1.500) 3.298 4.661 ( 1.794 1.621 2.203) 3.271 4.861 ( -0.656 0.813 -0.096) 1.049 4.948 ( -1.453 2.019 -2.062) 3.231 5.034 ( 0.948 2.135 -0.192) 2.343 5.331 ( -4.138 1.067 4.007) 5.858 5.398 ( 0.659 4.006 1.134) 4.215 5.607 ( 1.324 2.035 -3.581) 4.326 5.789 ( 5.792 -2.690 -3.831) 7.447 5.899 ( -1.971 -3.129 -0.779) 3.779 6.034 ( 5.927 -2.222 3.584) 7.274 6.222 ( -6.079 -0.785 -1.379) 6.283 6.338 ( -6.022 3.356 -0.876) 6.950 6.572 ( 1.614 3.837 5.538) 6.928 6.792 ( 1.466 2.748 -3.808) 4.919 7.342 ( 3.552 2.208 5.434) 6.857 7.485 ( -0.571 2.024 -5.611) 5.992 8.248 ( 1.338 -2.466 3.687) 4.633 8.348 ( 0.609 -2.966 -2.939) 4.220 8.428 ( -2.264 -1.147 -1.284) 2.845 8.461 ( 1.896 0.742 0.595) 2.121 9.155 ( -3.355 -8.000 -0.944) 8.726 9.164 ( -1.238 -8.769 0.740) 8.887 9.318 ( 0.098 -2.221 0.949) 2.418 9.460 ( 3.937 -1.327 -0.287) 4.164 9.539 ( -1.447 -2.192 -0.384) 2.654 9.689 ( 4.755 1.756 -1.664) 5.335 9.967 ( 4.367 -0.214 -2.203) 4.895 10.217 ( 5.794 2.154 -2.808) 6.790 10.485 ( 0.632 -1.866 1.814) 2.678 10.580 ( -1.409 -1.230 -2.079) 2.796 10.640 ( -6.045 2.196 -0.053) 6.432 10.812 ( 2.635 -4.268 1.042) 5.123 10.952 ( 0.008 -0.389 10.157) 10.165 11.286 ( -0.783 0.574 -1.979) 2.205 11.649 ( 1.449 4.937 7.637) 9.209 11.791 ( -4.559 5.043 -7.652) 10.235 12.407 ( 0.440 -0.272 1.278) 1.379 12.471 ( -4.054 -0.816 -4.023) 5.769 12.984 ( 2.517 -1.714 0.156) 3.049 13.018 ( 3.831 -0.922 -1.192) 4.117 13.586 ( -1.183 -1.277 1.909) 2.584 13.687 ( -0.410 -1.590 0.927) 1.886 13.942 ( 0.335 -0.168 2.048) 2.082 13.980 ( -1.434 -2.577 -3.135) 4.304 14.396 ( -3.228 -0.591 3.590) 4.863 14.851 ( 2.090 -3.985 1.849) 4.865 15.018 ( -3.369 2.480 0.546) 4.219 15.042 ( -11.358 -4.021 -7.140) 14.005 15.611 ( 1.731 16.696 -6.588) 18.032 15.691 ( 7.080 7.809 7.612) 13.001 17.903 ( 0.542 -0.563 -0.011) 0.781 17.910 ( 0.399 -0.274 -0.104) 0.495 ======================= Grid point 190 (87/168) ======================= q-point: (-0.09 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -2.610 -1.011 2.052) 3.471 1.527 ( -1.755 -1.133 -0.999) 2.316 1.612 ( -0.831 2.874 1.826) 3.505 1.821 ( 3.353 -2.445 -2.852) 5.035 2.008 ( -0.732 3.690 -2.035) 4.277 2.044 ( 2.288 1.223 2.035) 3.297 2.294 ( -3.405 -8.173 -1.205) 8.936 2.395 ( 0.578 -0.377 0.813) 1.066 2.792 ( 0.697 -6.589 1.685) 6.837 2.822 ( 0.165 0.140 0.271) 0.347 3.011 ( -1.201 0.660 -0.529) 1.469 3.109 ( -0.927 0.898 -2.936) 3.207 3.268 ( 0.666 1.854 -5.065) 5.434 3.365 ( 0.352 1.553 1.953) 2.520 3.465 ( 0.131 -0.997 2.325) 2.534 3.566 ( -1.249 2.723 0.555) 3.046 4.096 ( 1.965 0.952 3.098) 3.790 4.201 ( -2.171 2.418 2.827) 4.307 4.318 ( 1.733 -4.461 -4.978) 6.906 4.454 ( -1.742 0.693 -0.580) 1.962 4.667 ( 3.098 0.765 0.221) 3.198 4.798 ( -2.132 3.003 -0.683) 3.746 4.948 ( -0.065 -1.878 -0.373) 1.915 5.017 ( 1.244 1.111 -0.157) 1.675 5.278 ( -4.351 0.975 2.665) 5.194 5.380 ( -0.502 1.960 4.665) 5.086 5.592 ( 1.422 -0.472 -2.714) 3.100 5.869 ( 5.655 -4.033 -4.092) 8.062 5.904 ( -1.817 -0.554 -3.284) 3.794 6.133 ( 7.497 -0.179 4.249) 8.620 6.182 ( -4.774 0.547 1.018) 4.912 6.230 ( -7.816 0.571 -2.351) 8.182 6.542 ( 0.544 3.802 5.128) 6.407 6.768 ( 4.124 1.415 0.028) 4.360 7.324 ( -1.937 1.099 -2.777) 3.560 7.476 ( 2.090 -1.155 0.222) 2.399 8.268 ( -2.496 -0.851 -3.968) 4.764 8.400 ( -0.423 -1.340 0.399) 1.461 8.422 ( -0.240 -1.181 0.228) 1.227 8.474 ( 3.253 0.944 2.987) 4.516 9.211 ( -4.161 -3.524 -2.079) 5.836 9.231 ( 0.222 -0.330 1.558) 1.608 9.387 ( 0.332 -2.857 0.511) 2.922 9.465 ( -2.088 -1.216 -3.915) 4.601 9.608 ( 1.952 -0.688 5.324) 5.712 9.714 ( 5.392 -1.772 1.335) 5.831 10.012 ( 5.692 -2.073 -4.325) 7.443 10.216 ( 5.315 1.422 -2.679) 6.120 10.490 ( -2.382 0.801 2.369) 3.454 10.543 ( -8.515 0.261 -1.668) 8.681 10.599 ( 0.572 -0.204 -0.030) 0.608 10.886 ( 1.177 -2.092 -1.073) 2.630 10.993 ( -1.189 0.583 7.772) 7.885 11.258 ( 0.681 1.161 -1.184) 1.792 11.599 ( -3.243 2.854 -3.829) 5.773 11.719 ( 2.653 0.561 5.753) 6.359 12.408 ( -1.261 0.694 0.373) 1.487 12.443 ( -0.506 -0.356 -2.356) 2.436 13.020 ( 1.902 -0.941 -0.909) 2.308 13.061 ( 2.844 -0.802 -0.229) 2.964 13.602 ( -1.384 -0.753 1.915) 2.479 13.698 ( -1.638 -0.008 1.136) 1.994 13.933 ( -1.908 0.703 -0.355) 2.064 14.010 ( 1.534 -0.994 1.686) 2.486 14.398 ( -0.508 -0.804 1.220) 1.547 14.810 ( -4.158 4.826 -3.585) 7.310 14.942 ( -2.397 2.215 -4.229) 5.342 15.097 ( -3.894 -12.541 -7.917) 15.334 15.345 ( 3.376 14.425 -1.545) 14.895 15.725 ( 4.372 0.349 11.058) 11.896 17.913 ( 0.318 -0.229 -0.036) 0.394 17.918 ( 0.172 -0.362 0.031) 0.402 ======================= Grid point 197 (88/168) ======================= q-point: (-0.45 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -4.285 -0.000 -2.677) 5.052 1.616 ( -11.587 -0.000 -6.755) 13.412 1.646 ( 4.926 0.000 0.264) 4.933 1.783 ( -4.630 -0.000 -9.156) 10.260 1.878 ( -8.207 -0.000 6.677) 10.580 1.959 ( 2.638 0.000 3.579) 4.446 2.130 ( 2.442 0.000 0.148) 2.446 2.353 ( -8.784 -0.000 0.358) 8.792 2.356 ( 4.351 0.000 8.977) 9.976 2.621 ( 8.779 0.000 -0.785) 8.814 2.877 ( 4.541 0.000 -1.456) 4.769 3.107 ( 1.330 0.000 -4.166) 4.374 3.211 ( -4.763 -0.000 -0.572) 4.798 3.281 ( -4.796 -0.000 -6.768) 8.295 3.563 ( 5.137 0.000 4.893) 7.095 3.610 ( -2.205 -0.000 7.991) 8.290 4.042 ( 0.580 0.000 -3.025) 3.080 4.431 ( -0.190 -0.000 1.190) 1.205 4.494 ( -0.470 -0.000 -7.972) 7.986 4.543 ( -0.905 -0.000 -5.402) 5.478 4.783 ( -3.463 -0.000 -1.278) 3.691 4.912 ( 1.807 0.000 -0.880) 2.010 5.034 ( -3.200 -0.000 4.560) 5.571 5.121 ( 2.019 0.000 -1.013) 2.259 5.381 ( -1.003 -0.000 6.964) 7.036 5.471 ( 2.836 0.000 1.885) 3.405 5.608 ( 3.334 0.000 3.037) 4.510 5.710 ( 0.235 0.000 -2.952) 2.961 5.844 ( 0.586 0.000 -1.149) 1.290 5.976 ( 0.426 0.000 -1.758) 1.808 6.305 ( -6.478 -0.000 -1.890) 6.748 6.396 ( 3.465 0.000 0.935) 3.589 6.809 ( 5.527 0.000 5.619) 7.881 7.017 ( -0.452 -0.000 -1.092) 1.181 7.517 ( 5.387 0.000 9.924) 11.292 7.755 ( 2.623 0.000 4.156) 4.914 7.923 ( -2.592 -0.000 -6.220) 6.738 8.071 ( -2.270 -0.000 -6.964) 7.325 8.351 ( 0.598 0.000 1.616) 1.723 8.371 ( -0.733 -0.000 -0.495) 0.885 8.459 ( -0.414 -0.000 0.677) 0.793 8.556 ( -0.168 -0.000 -0.985) 0.999 9.378 ( -4.937 -0.000 -0.206) 4.942 9.504 ( 1.909 0.000 -0.846) 2.088 9.596 ( -1.922 -0.000 -3.310) 3.828 9.713 ( 5.352 0.000 -4.711) 7.131 10.019 ( 3.227 0.000 5.794) 6.632 10.139 ( -1.208 -0.000 1.881) 2.235 10.242 ( 6.374 0.000 -3.328) 7.190 10.346 ( 0.419 0.000 -3.277) 3.304 10.590 ( -0.290 -0.000 7.235) 7.240 10.874 ( -2.033 -0.000 -3.315) 3.889 10.985 ( 0.273 0.000 10.632) 10.635 11.191 ( -1.922 -0.000 0.249) 1.938 12.181 ( 2.643 0.000 -6.270) 6.804 12.193 ( -3.384 -0.000 0.296) 3.397 12.441 ( 1.957 0.000 -4.300) 4.724 12.457 ( -5.364 -0.000 -13.576) 14.597 12.839 ( -0.579 -0.000 2.618) 2.681 12.960 ( 0.228 0.000 -0.960) 0.987 13.535 ( 0.615 0.000 -0.312) 0.690 13.557 ( -1.502 -0.000 -0.767) 1.687 13.876 ( -2.163 -0.000 -1.850) 2.846 13.881 ( 0.131 0.000 -1.041) 1.049 14.110 ( 0.177 0.000 4.784) 4.787 14.335 ( -2.176 -0.000 -3.223) 3.889 15.041 ( 10.534 0.000 22.734) 25.056 15.165 ( -11.767 -0.000 12.217) 16.962 16.363 ( 6.825 0.000 -7.116) 9.860 16.494 ( -3.232 -0.000 -12.541) 12.950 17.858 ( 0.308 0.000 0.692) 0.758 17.913 ( 0.118 0.000 -0.930) 0.938 ======================= Grid point 198 (89/168) ======================= q-point: (-0.36 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -7.968 0.049 -3.163) 8.573 1.528 ( -11.478 -4.674 -5.180) 13.432 1.622 ( -9.296 5.375 -7.137) 12.893 1.739 ( 2.641 -5.221 0.881) 5.917 1.879 ( -8.560 -2.506 6.095) 10.803 2.014 ( -0.569 -3.404 -0.616) 3.505 2.141 ( 2.355 1.434 -1.067) 2.957 2.282 ( -6.648 0.031 0.565) 6.672 2.422 ( 4.764 1.473 8.074) 9.489 2.748 ( 10.196 -5.208 -0.720) 11.472 2.896 ( 2.418 0.198 1.832) 3.040 3.055 ( -4.087 -0.300 -5.421) 6.796 3.184 ( -1.924 -1.367 -3.154) 3.939 3.263 ( -4.245 -4.219 -4.529) 7.506 3.560 ( 0.227 3.263 6.941) 7.673 3.677 ( 1.491 -0.240 3.844) 4.130 4.033 ( 2.129 1.260 -0.667) 2.562 4.308 ( 0.691 7.283 -2.264) 7.658 4.474 ( -0.995 0.836 -3.742) 3.961 4.570 ( 0.169 -3.337 -3.271) 4.676 4.735 ( -3.891 1.492 -0.335) 4.181 4.890 ( 0.844 2.713 -0.534) 2.891 5.030 ( -0.830 0.591 2.923) 3.096 5.159 ( 3.450 -1.591 -0.900) 3.904 5.384 ( -1.174 2.007 6.981) 7.358 5.552 ( 3.146 -3.634 1.666) 5.087 5.649 ( 3.417 -0.612 -0.132) 3.474 5.723 ( 0.118 -2.349 -3.217) 3.985 5.810 ( 0.156 3.648 0.667) 3.712 5.944 ( 1.911 2.810 -2.145) 4.019 6.255 ( -4.975 -0.014 -0.747) 5.031 6.429 ( 4.014 0.149 0.799) 4.096 6.804 ( 3.300 6.786 5.901) 9.579 6.983 ( -0.155 2.981 -3.804) 4.835 7.550 ( 4.809 6.353 9.988) 12.777 7.760 ( 1.514 4.249 0.702) 4.565 7.936 ( -1.064 -7.207 -2.245) 7.623 8.097 ( -1.643 -8.031 -7.377) 11.028 8.351 ( -0.922 -1.015 -0.284) 1.400 8.428 ( 1.490 -2.061 -1.425) 2.915 8.521 ( -0.750 -8.857 2.707) 9.291 8.597 ( 0.215 -6.097 -0.123) 6.102 9.331 ( -4.732 0.643 0.374) 4.790 9.497 ( 1.880 2.062 -0.442) 2.825 9.555 ( -2.103 0.787 -3.907) 4.507 9.731 ( 5.650 0.657 -4.147) 7.039 10.034 ( 4.052 3.295 3.556) 6.318 10.201 ( 0.051 -4.933 2.739) 5.642 10.280 ( 8.261 0.154 -3.628) 9.024 10.374 ( 1.066 -4.259 -2.978) 5.305 10.635 ( 0.369 -1.069 6.983) 7.074 10.830 ( -2.537 1.063 -3.431) 4.398 11.004 ( 0.249 3.955 10.769) 11.475 11.207 ( -1.622 -3.020 0.760) 3.511 12.038 ( -1.434 8.634 -0.760) 8.785 12.191 ( -5.010 2.296 -10.157) 11.556 12.345 ( -1.551 -0.013 -3.731) 4.041 12.449 ( -2.658 -2.047 -4.764) 5.826 12.866 ( 2.388 -0.982 1.710) 3.097 12.965 ( 1.058 -0.672 -1.120) 1.681 13.530 ( 0.066 0.088 0.515) 0.526 13.573 ( -0.167 -2.128 -0.315) 2.158 13.863 ( -2.444 -1.650 -1.638) 3.373 13.887 ( -0.307 -1.111 -0.829) 1.420 14.172 ( -0.543 -4.457 4.880) 6.631 14.364 ( -3.876 -7.776 -4.451) 9.762 15.106 ( -11.921 1.444 8.839) 14.911 15.200 ( 6.883 2.987 22.554) 23.769 16.307 ( 6.081 9.245 -5.861) 12.522 16.351 ( -0.683 6.944 -13.706) 15.380 17.868 ( 0.641 -0.322 0.691) 0.996 17.909 ( 0.289 0.116 -0.904) 0.956 ======================= Grid point 199 (90/168) ======================= q-point: (-0.27 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -8.749 -1.425 -4.033) 9.739 1.433 ( -10.416 2.381 -6.892) 12.714 1.536 ( -11.676 -8.391 -2.134) 14.536 1.772 ( -7.845 1.538 3.084) 8.569 1.913 ( -2.429 -5.887 -1.703) 6.592 2.029 ( -6.963 -4.079 -0.923) 8.122 2.155 ( 3.471 0.250 3.470) 4.915 2.286 ( 1.183 -2.936 -0.078) 3.166 2.462 ( 4.845 2.142 6.046) 8.039 2.840 ( 7.125 1.187 -4.540) 8.532 2.959 ( -4.620 -6.757 -1.474) 8.317 3.078 ( 3.054 -3.314 2.150) 4.993 3.185 ( -0.339 -0.574 -0.315) 0.737 3.299 ( -5.423 -7.328 -3.007) 9.600 3.546 ( -1.552 0.903 2.610) 3.168 3.631 ( 0.769 5.898 -1.135) 6.055 4.038 ( 1.946 0.844 4.592) 5.058 4.239 ( 4.854 3.070 -1.831) 6.028 4.420 ( -1.220 2.614 -0.552) 2.937 4.589 ( -0.088 0.777 -0.979) 1.253 4.688 ( -1.821 0.374 -0.197) 1.869 4.856 ( 0.620 1.433 -0.464) 1.629 5.024 ( -0.417 1.016 2.286) 2.536 5.171 ( 2.295 3.083 -2.598) 4.640 5.363 ( -3.425 1.885 5.283) 6.572 5.574 ( 1.431 3.163 -1.138) 3.653 5.707 ( -0.628 1.418 -3.431) 3.766 5.717 ( 5.584 -2.342 -1.493) 6.237 5.790 ( 1.811 -0.046 1.401) 2.290 5.936 ( 2.833 -1.123 0.889) 3.174 6.210 ( -4.673 0.499 -1.137) 4.835 6.448 ( 2.168 1.716 1.043) 2.955 6.731 ( 1.186 6.380 5.913) 8.779 6.898 ( 0.376 3.717 -4.854) 6.125 7.502 ( 4.214 7.328 8.103) 11.710 7.649 ( -1.590 6.394 -5.562) 8.623 8.085 ( 1.281 -7.758 2.698) 8.313 8.195 ( -0.545 -7.075 -5.223) 8.811 8.375 ( -0.414 -2.245 -0.100) 2.285 8.454 ( 1.978 -0.780 -0.447) 2.173 8.716 ( -0.862 -13.725 0.401) 13.758 8.775 ( 1.106 -12.241 1.067) 12.338 9.297 ( -2.812 -0.013 0.879) 2.946 9.470 ( 2.728 2.165 -1.836) 3.937 9.512 ( -2.468 0.186 -1.745) 3.029 9.740 ( 5.502 1.366 -3.242) 6.531 10.025 ( 4.694 3.028 1.275) 5.729 10.268 ( 3.066 -0.597 -0.521) 3.167 10.356 ( 6.104 -3.488 -1.420) 7.172 10.464 ( 1.801 -5.932 -2.029) 6.523 10.676 ( -1.909 -0.089 3.663) 4.132 10.779 ( -0.373 1.083 -1.330) 1.755 10.980 ( -1.242 3.493 10.448) 11.087 11.250 ( -1.149 -2.350 0.499) 2.663 11.885 ( -1.843 8.012 2.816) 8.690 12.004 ( -5.627 6.659 -9.868) 13.168 12.362 ( -0.086 -2.183 -0.375) 2.217 12.429 ( -4.822 -1.506 -3.297) 6.032 12.920 ( 3.489 -1.728 0.941) 4.006 12.989 ( 2.820 -1.046 -1.551) 3.384 13.541 ( -0.498 -1.096 0.753) 1.420 13.614 ( 0.561 -2.338 0.766) 2.524 13.872 ( -2.926 -2.939 -2.741) 4.971 13.907 ( 0.125 -1.549 0.562) 1.653 14.277 ( -2.355 -5.811 4.706) 7.840 14.477 ( -4.668 -12.015 -6.026) 14.229 15.018 ( -10.732 1.397 2.705) 11.155 15.247 ( 0.297 6.752 19.220) 20.374 16.113 ( 5.054 12.989 -8.399) 16.273 16.137 ( 2.747 13.716 -6.457) 15.407 17.884 ( 1.002 -0.465 0.529) 1.225 17.907 ( 0.540 -0.000 -0.636) 0.835 ======================= Grid point 200 (91/168) ======================= q-point: (-0.18 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -6.349 -2.998 -2.303) 7.389 1.357 ( -8.669 -6.113 -6.034) 12.204 1.570 ( -10.291 -5.759 -0.828) 11.821 1.715 ( -4.614 -1.549 3.885) 6.227 1.986 ( -4.974 -7.998 -2.518) 9.749 2.045 ( -3.258 -1.291 0.478) 3.537 2.163 ( 1.978 3.318 4.026) 5.579 2.394 ( 5.175 -4.168 0.681) 6.679 2.505 ( 2.846 -2.709 3.679) 5.383 2.836 ( 4.394 2.237 -2.054) 5.342 3.000 ( -4.040 -4.693 -7.999) 10.116 3.142 ( -3.303 -3.095 0.843) 4.604 3.188 ( -0.349 0.166 3.006) 3.031 3.381 ( -4.417 -3.355 -1.368) 5.712 3.491 ( 1.279 1.380 -2.668) 3.265 3.592 ( 0.600 0.240 2.273) 2.363 4.078 ( 2.192 -1.001 5.188) 5.721 4.221 ( 4.973 2.721 -3.425) 6.622 4.377 ( -0.622 2.765 3.359) 4.394 4.537 ( -1.401 3.365 -0.179) 3.649 4.687 ( 1.224 0.023 -1.099) 1.645 4.849 ( -0.205 -0.296 0.133) 0.384 4.998 ( -0.595 3.792 -0.430) 3.863 5.080 ( -0.891 4.274 -1.066) 4.494 5.330 ( -3.397 0.838 2.496) 4.298 5.503 ( 2.445 5.537 0.584) 6.081 5.652 ( 1.261 3.272 -4.362) 5.596 5.764 ( 2.764 -1.931 -1.959) 3.900 5.844 ( 1.735 -2.289 0.002) 2.872 6.022 ( 3.730 -4.125 2.118) 5.951 6.158 ( -5.124 -0.035 -1.649) 5.382 6.397 ( -1.465 5.443 2.434) 6.139 6.679 ( 1.081 4.022 4.963) 6.479 6.838 ( 2.157 2.455 -1.546) 3.615 7.464 ( 3.293 5.921 4.006) 7.871 7.500 ( -1.464 4.032 -5.950) 7.335 8.185 ( -1.647 -4.290 -4.180) 6.212 8.290 ( 1.330 -4.735 2.567) 5.547 8.402 ( -0.303 -1.037 -0.035) 1.081 8.490 ( 3.681 -0.532 1.136) 3.889 8.948 ( -1.273 -12.852 -0.644) 12.931 8.989 ( 0.356 -11.696 0.989) 11.743 9.297 ( -0.768 -0.979 1.133) 1.683 9.451 ( 0.242 -0.028 -5.552) 5.557 9.518 ( 2.095 -1.519 3.826) 4.619 9.745 ( 5.013 1.491 -1.766) 5.520 10.020 ( 5.869 2.334 -1.301) 6.449 10.284 ( 5.000 1.534 -1.796) 5.530 10.445 ( 1.933 -3.460 -1.065) 4.103 10.553 ( 1.818 -2.213 -0.379) 2.889 10.626 ( -5.359 1.749 -0.824) 5.698 10.792 ( 2.174 -1.039 1.216) 2.699 10.985 ( -2.379 0.124 9.824) 10.109 11.264 ( -1.859 -0.786 -0.690) 2.133 11.760 ( -3.291 5.987 -2.324) 7.216 11.835 ( -1.029 5.825 1.003) 6.000 12.397 ( -4.121 -1.827 -3.363) 5.624 12.401 ( -0.214 -1.328 1.336) 1.896 12.978 ( 2.574 -1.630 0.550) 3.096 13.026 ( 4.107 -1.000 -1.782) 4.587 13.562 ( -0.730 -1.450 0.937) 1.874 13.662 ( 0.107 -1.942 1.724) 2.599 13.886 ( -2.302 -3.094 -4.007) 5.561 13.946 ( 0.047 -2.055 2.546) 3.272 14.348 ( -4.909 -3.250 3.789) 7.001 14.623 ( -5.091 -13.124 -7.616) 16.005 14.915 ( -8.610 1.200 -5.755) 10.426 15.164 ( -5.733 8.772 13.339) 16.963 15.878 ( 6.126 15.383 -8.088) 18.428 15.936 ( 5.599 11.471 3.962) 13.365 17.902 ( 1.022 -0.381 0.257) 1.121 17.911 ( 0.794 -0.080 -0.226) 0.829 ======================= Grid point 201 (92/168) ======================= q-point: (-0.09 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -3.580 -3.767 0.244) 5.202 1.418 ( -3.953 -8.237 -1.052) 9.197 1.597 ( -2.113 -4.026 -0.111) 4.548 1.776 ( -0.668 -4.597 5.066) 6.873 2.011 ( -3.130 0.582 -3.176) 4.497 2.099 ( -3.696 -9.183 -1.083) 9.958 2.134 ( 1.310 3.350 4.196) 5.527 2.441 ( 5.104 2.983 1.646) 6.136 2.664 ( 1.589 -10.142 2.739) 10.625 2.824 ( 1.502 0.325 -2.316) 2.780 2.989 ( -2.428 -0.890 -3.667) 4.487 3.106 ( -3.702 2.360 -5.191) 6.799 3.239 ( -1.567 -4.273 1.521) 4.798 3.317 ( -5.106 0.689 -2.625) 5.782 3.503 ( -0.770 0.479 -1.078) 1.409 3.610 ( 3.024 1.093 3.016) 4.408 4.154 ( 1.686 -1.714 5.699) 6.186 4.201 ( 2.721 -0.012 -4.285) 5.076 4.316 ( -1.609 5.180 2.157) 5.837 4.475 ( 0.203 3.147 -0.544) 3.200 4.686 ( 1.146 0.019 -2.692) 2.925 4.833 ( -2.324 2.896 -0.114) 3.715 4.914 ( -0.290 0.442 -1.573) 1.659 5.047 ( -0.524 1.094 1.635) 2.036 5.294 ( -1.263 2.059 1.951) 3.105 5.466 ( 1.934 3.229 4.900) 6.179 5.590 ( 1.461 1.792 -4.879) 5.400 5.818 ( 2.173 -3.434 -3.862) 5.606 5.863 ( -1.154 -0.481 -1.708) 2.116 6.105 ( 0.124 -1.780 -2.616) 3.167 6.135 ( -4.238 -2.241 1.503) 5.024 6.302 ( 1.062 5.435 4.233) 6.971 6.647 ( 1.259 3.816 5.085) 6.481 6.835 ( 4.354 1.447 3.166) 5.574 7.336 ( -2.620 4.752 -6.909) 8.785 7.495 ( 3.335 0.624 2.306) 4.103 8.192 ( -2.756 -2.105 -6.907) 7.729 8.369 ( -0.770 -2.479 1.974) 3.261 8.412 ( 0.357 -0.451 0.580) 0.817 8.536 ( 4.757 0.416 3.342) 5.828 9.086 ( -2.327 -6.576 -1.601) 7.157 9.178 ( 0.684 -8.225 1.222) 8.343 9.331 ( 0.368 -2.743 1.523) 3.159 9.420 ( -1.740 -0.144 -5.074) 5.366 9.622 ( 4.334 -3.548 5.865) 8.110 9.749 ( 3.406 1.287 -0.207) 3.647 10.035 ( 7.551 0.617 -3.508) 8.349 10.282 ( 4.726 2.354 -1.361) 5.453 10.472 ( -3.405 -0.745 -1.965) 4.001 10.527 ( -2.260 3.099 1.089) 3.987 10.593 ( -0.290 -0.398 -0.619) 0.791 10.851 ( 1.912 -2.942 -0.182) 3.514 11.005 ( -4.748 -0.380 6.917) 8.398 11.256 ( -1.187 -0.590 -0.294) 1.358 11.608 ( -4.183 4.940 -6.429) 9.123 11.803 ( 2.812 2.501 8.122) 8.952 12.370 ( -4.189 -1.108 -2.096) 4.813 12.443 ( 2.520 -1.169 0.778) 2.885 13.016 ( 1.812 -0.842 -0.605) 2.087 13.066 ( 2.705 -0.930 -0.732) 2.953 13.586 ( -0.609 -1.212 1.315) 1.889 13.687 ( -1.394 -0.619 1.695) 2.280 13.899 ( -1.745 -1.842 -2.741) 3.736 14.000 ( -0.161 -2.541 3.703) 4.494 14.360 ( -4.217 -1.904 1.251) 4.793 14.754 ( -5.546 -11.676 -9.752) 16.193 14.789 ( -6.826 1.731 -9.618) 11.920 15.038 ( -4.593 5.074 6.676) 9.561 15.639 ( 7.714 16.188 -3.043) 18.188 15.867 ( 4.556 5.762 8.878) 11.523 17.914 ( 0.581 -0.288 0.043) 0.650 17.918 ( 0.877 0.107 0.081) 0.887 ======================= Grid point 209 (93/168) ======================= q-point: (-0.36 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -11.764 -0.000 -1.621) 11.875 1.346 ( -14.821 -0.000 -5.308) 15.743 1.560 ( -11.130 -0.000 -8.088) 13.758 1.739 ( 4.658 0.000 2.876) 5.475 1.803 ( -10.638 -0.000 9.910) 14.539 1.950 ( -9.582 -0.000 -3.268) 10.124 2.166 ( 1.030 0.000 -2.603) 2.799 2.267 ( 0.244 0.000 5.409) 5.414 2.520 ( 5.520 0.000 7.434) 9.259 2.779 ( 10.647 0.000 -1.930) 10.820 2.906 ( -13.318 -0.000 -11.350) 17.498 2.915 ( 0.525 0.000 1.022) 1.149 3.119 ( -2.392 -0.000 -5.403) 5.909 3.227 ( 1.437 0.000 -0.540) 1.535 3.658 ( -0.576 -0.000 5.447) 5.477 3.695 ( 3.135 0.000 7.813) 8.419 4.071 ( 4.555 0.000 -0.040) 4.555 4.339 ( -3.986 -0.000 -11.452) 12.126 4.449 ( 0.776 0.000 2.000) 2.145 4.534 ( 1.882 0.000 -1.788) 2.596 4.715 ( -4.267 -0.000 0.373) 4.283 4.928 ( 0.877 0.000 -0.527) 1.023 5.040 ( -0.006 -0.000 1.983) 1.983 5.175 ( 4.594 0.000 1.310) 4.778 5.446 ( 1.086 0.000 6.641) 6.730 5.544 ( 3.223 0.000 2.097) 3.846 5.679 ( -0.626 -0.000 -3.167) 3.228 5.680 ( 4.152 0.000 -0.962) 4.262 5.867 ( 1.650 0.000 2.969) 3.397 5.949 ( -1.018 -0.000 -5.063) 5.165 6.234 ( -1.119 -0.000 1.398) 1.791 6.469 ( 3.976 0.000 1.467) 4.238 6.935 ( 4.178 0.000 3.803) 5.649 6.990 ( -0.576 -0.000 -2.940) 2.995 7.698 ( 5.565 0.000 9.002) 10.583 7.793 ( -4.794 -0.000 -9.106) 10.290 7.860 ( 4.332 0.000 6.310) 7.654 7.963 ( -1.843 -0.000 -8.510) 8.707 8.358 ( -0.907 -0.000 0.067) 0.909 8.372 ( 0.217 0.000 1.312) 1.330 8.470 ( 0.763 0.000 1.250) 1.464 8.538 ( -0.436 -0.000 -1.138) 1.218 9.301 ( -4.516 -0.000 0.968) 4.619 9.523 ( -2.454 -0.000 -1.330) 2.791 9.537 ( 2.928 0.000 -3.645) 4.675 9.764 ( 5.584 0.000 -3.115) 6.394 10.146 ( 7.023 0.000 1.909) 7.278 10.147 ( -0.307 -0.000 2.965) 2.980 10.328 ( 1.618 0.000 -2.900) 3.321 10.335 ( 8.793 0.000 -3.472) 9.454 10.664 ( 0.954 0.000 6.638) 6.706 10.797 ( -3.201 -0.000 -3.672) 4.872 11.118 ( 2.191 0.000 12.606) 12.795 11.156 ( -2.795 -0.000 0.604) 2.860 12.071 ( -7.788 -0.000 -7.137) 10.564 12.150 ( 0.288 0.000 -4.839) 4.847 12.294 ( -3.191 -0.000 -4.785) 5.751 12.390 ( -3.774 -0.000 -1.572) 4.088 12.887 ( 3.611 0.000 1.013) 3.750 12.960 ( 0.963 0.000 -0.887) 1.310 13.526 ( -1.007 -0.000 -1.628) 1.914 13.562 ( 1.529 0.000 1.831) 2.385 13.817 ( -3.377 -0.000 -1.171) 3.574 13.872 ( -0.439 -0.000 -0.136) 0.460 14.147 ( -1.367 -0.000 4.565) 4.766 14.241 ( -5.293 -0.000 -3.916) 6.584 15.055 ( -12.600 -0.000 5.912) 13.918 15.373 ( 1.133 0.000 22.468) 22.497 16.341 ( 3.425 0.000 -15.879) 16.244 16.427 ( 7.329 0.000 -3.665) 8.195 17.874 ( 0.861 0.000 0.823) 1.191 17.907 ( 0.309 0.000 -1.027) 1.072 ======================= Grid point 210 (94/168) ======================= q-point: (-0.27 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -13.872 -0.289 -2.957) 14.186 1.274 ( -15.788 -6.484 -2.398) 17.235 1.391 ( -10.740 3.712 -6.180) 12.936 1.748 ( -11.884 1.957 5.463) 13.225 1.805 ( -7.499 -1.973 -1.354) 7.872 1.881 ( -4.573 -6.294 4.952) 9.223 2.162 ( -2.604 -2.638 -1.627) 4.048 2.307 ( 4.727 1.456 4.088) 6.417 2.560 ( 2.439 1.460 4.213) 5.082 2.796 ( -4.785 -3.214 -5.048) 7.662 2.872 ( 7.236 -1.299 -9.937) 12.361 3.006 ( -0.929 -10.035 3.307) 10.606 3.091 ( -1.740 -1.195 -3.965) 4.492 3.233 ( 0.362 0.540 1.106) 1.283 3.612 ( -0.226 5.405 4.497) 7.035 3.728 ( 1.970 3.850 1.317) 4.521 4.095 ( 2.369 1.278 4.094) 4.900 4.271 ( 1.124 -0.422 -7.790) 7.882 4.454 ( 0.723 1.524 1.890) 2.533 4.571 ( 1.518 -2.530 -1.308) 3.227 4.678 ( -3.274 0.767 1.186) 3.565 4.899 ( 0.283 2.720 -0.136) 2.738 5.052 ( 0.747 0.611 1.734) 1.985 5.218 ( 4.575 0.808 -0.284) 4.654 5.423 ( -1.397 5.060 5.093) 7.314 5.604 ( 2.110 -0.802 -1.645) 2.793 5.675 ( -0.671 -1.183 -3.164) 3.444 5.714 ( 4.754 -2.224 -0.702) 5.295 5.858 ( 1.895 3.142 5.546) 6.650 5.936 ( -0.264 -1.105 -2.477) 2.725 6.219 ( 0.729 2.767 0.685) 2.942 6.501 ( 3.538 0.820 1.451) 3.911 6.879 ( -0.175 7.704 0.926) 7.761 6.950 ( 1.667 3.633 -2.504) 4.717 7.681 ( -4.134 3.969 -7.712) 9.608 7.697 ( 2.664 6.722 4.653) 8.599 7.973 ( 1.314 -6.190 0.988) 6.404 8.037 ( 2.804 -10.131 -0.521) 10.524 8.341 ( -0.443 -0.928 0.489) 1.138 8.448 ( 2.608 -3.024 -0.924) 4.098 8.516 ( -1.612 -7.099 0.853) 7.329 8.613 ( 1.203 -8.383 0.998) 8.528 9.277 ( -2.815 -0.192 1.347) 3.126 9.478 ( -1.509 0.843 -6.286) 6.520 9.535 ( 2.131 1.856 1.739) 3.318 9.790 ( 5.809 0.746 -2.456) 6.351 10.122 ( 3.993 3.113 1.154) 5.193 10.244 ( 2.296 -3.270 0.798) 4.075 10.366 ( 5.802 -2.751 -3.051) 7.109 10.398 ( 6.406 -1.887 -2.412) 7.100 10.692 ( -1.018 1.222 3.376) 3.732 10.765 ( -1.286 -1.127 -1.067) 2.016 11.085 ( -2.201 4.546 6.216) 8.010 11.220 ( 0.276 -1.705 5.938) 6.184 11.942 ( -6.448 3.609 -6.743) 10.004 12.059 ( -1.612 6.322 -1.835) 6.777 12.300 ( -1.809 -3.504 -2.351) 4.591 12.362 ( -4.301 -0.906 -0.214) 4.400 12.929 ( 3.612 -0.909 0.474) 3.755 12.981 ( 2.533 -1.570 -1.113) 3.181 13.518 ( -0.719 -0.877 -1.145) 1.611 13.596 ( 1.313 -1.386 2.195) 2.909 13.797 ( -3.698 -1.585 -1.484) 4.289 13.881 ( -0.592 -1.375 0.474) 1.570 14.189 ( -3.225 -4.046 3.561) 6.281 14.242 ( -5.414 -7.399 -4.030) 10.015 14.968 ( -11.186 1.288 1.743) 11.394 15.406 ( -7.765 4.260 17.173) 19.322 16.269 ( 10.297 6.484 -12.774) 17.642 16.375 ( 5.057 10.387 -1.460) 11.645 17.890 ( 1.226 -0.358 0.756) 1.484 17.906 ( 0.492 -0.155 -0.845) 0.990 ======================= Grid point 211 (95/168) ======================= q-point: (-0.18 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -12.326 -5.430 -4.850) 14.316 1.179 ( -14.395 -2.063 -3.003) 14.849 1.360 ( -8.836 -8.734 -0.054) 12.424 1.640 ( -11.602 -1.824 2.482) 12.004 1.809 ( -9.459 -5.667 2.341) 11.273 1.995 ( -0.267 -3.190 3.863) 5.017 2.208 ( -3.529 -5.540 0.912) 6.632 2.328 ( 3.126 -0.037 2.900) 4.264 2.582 ( 2.787 0.939 5.310) 6.070 2.818 ( -2.807 -5.811 -7.896) 10.198 2.875 ( 3.819 0.577 -8.822) 9.630 3.091 ( -1.022 -0.961 0.032) 1.403 3.194 ( -3.259 -10.963 -1.573) 11.545 3.223 ( 0.045 1.604 2.492) 2.964 3.530 ( -0.193 4.947 -1.145) 5.082 3.662 ( 2.564 4.310 2.291) 5.514 4.114 ( 0.645 0.701 5.423) 5.506 4.259 ( 2.924 0.687 -7.035) 7.649 4.447 ( 1.697 2.314 4.720) 5.524 4.581 ( -0.265 1.760 0.757) 1.934 4.677 ( 0.659 -1.398 -1.018) 1.851 4.864 ( -0.193 1.463 0.943) 1.751 5.042 ( 0.476 2.048 1.616) 2.652 5.170 ( 0.623 7.025 -2.483) 7.477 5.341 ( -2.546 2.734 1.532) 4.037 5.596 ( 2.220 1.691 -1.795) 3.318 5.652 ( -1.249 0.653 -3.779) 4.034 5.795 ( 3.881 1.425 1.010) 4.256 5.845 ( 2.242 0.674 2.454) 3.392 5.980 ( 0.087 -4.462 2.220) 4.985 6.163 ( 1.703 3.995 -1.974) 4.771 6.491 ( 1.204 4.141 1.872) 4.701 6.753 ( -2.358 4.146 -0.710) 4.822 6.906 ( 3.390 3.094 1.770) 4.919 7.521 ( -4.779 5.332 -8.891) 11.416 7.623 ( 3.211 6.522 4.121) 8.356 8.071 ( -0.829 -5.232 -3.329) 6.257 8.221 ( 1.713 -6.501 3.808) 7.726 8.377 ( 1.014 -2.226 -0.132) 2.450 8.509 ( 4.707 -1.830 1.301) 5.215 8.704 ( -0.857 -14.322 0.035) 14.348 8.807 ( 2.194 -11.329 1.055) 11.588 9.280 ( -0.686 -1.008 1.235) 1.735 9.423 ( -0.977 0.551 -6.711) 6.804 9.545 ( 2.692 0.134 3.908) 4.747 9.805 ( 5.517 1.614 -1.588) 5.964 10.109 ( 5.786 2.986 -1.090) 6.602 10.305 ( 2.268 -1.960 -0.609) 3.059 10.431 ( 6.017 -0.406 -3.399) 6.922 10.499 ( 3.449 -5.588 -0.424) 6.581 10.632 ( -3.805 3.048 -0.037) 4.876 10.798 ( 1.188 -0.997 0.973) 1.830 11.020 ( -5.105 2.814 6.632) 8.830 11.243 ( -1.946 0.323 2.575) 3.244 11.796 ( -3.565 5.158 -6.871) 9.302 11.953 ( -0.277 5.659 5.086) 7.614 12.311 ( -5.162 -2.262 -2.373) 6.115 12.376 ( 0.307 -2.439 1.353) 2.806 12.974 ( 2.175 -1.381 0.609) 2.648 13.031 ( 4.284 -1.400 -1.798) 4.853 13.532 ( -0.406 -1.685 -0.435) 1.787 13.642 ( 0.120 -1.684 2.682) 3.169 13.800 ( -2.513 -2.898 -2.661) 4.668 13.912 ( -1.098 -2.440 1.520) 3.077 14.247 ( -6.548 -5.540 1.971) 8.801 14.346 ( -3.970 -10.417 -4.437) 11.998 14.856 ( -8.373 2.047 -4.140) 9.563 15.285 ( -12.760 7.031 9.829) 17.575 16.151 ( 9.453 13.181 -5.227) 17.042 16.197 ( 6.112 12.368 0.861) 13.823 17.905 ( 0.746 -0.221 -0.092) 0.783 17.918 ( 1.729 -0.324 0.205) 1.771 ======================= Grid point 212 (96/168) ======================= q-point: (-0.09 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -6.182 -9.184 -3.596) 11.640 1.206 ( -6.299 -11.068 1.303) 12.801 1.462 ( -3.546 -8.792 -0.037) 9.481 1.672 ( -7.043 -7.468 6.007) 11.894 1.875 ( -7.745 -9.463 1.240) 12.291 1.995 ( -2.228 1.563 -1.271) 3.004 2.234 ( -0.394 1.825 4.316) 4.703 2.464 ( 0.892 -10.440 4.568) 11.431 2.607 ( 4.722 3.050 5.827) 8.097 2.822 ( 0.646 0.396 -10.436) 10.463 2.874 ( -3.406 -5.601 -6.570) 9.281 3.092 ( -0.894 0.895 0.689) 1.440 3.201 ( -1.280 1.068 0.142) 1.673 3.261 ( -5.816 -3.083 -2.552) 7.060 3.468 ( -0.446 0.450 -3.469) 3.526 3.668 ( 3.977 0.663 3.552) 5.374 4.133 ( -0.089 -0.745 2.543) 2.652 4.228 ( 0.648 1.273 -3.875) 4.130 4.418 ( 0.229 5.055 4.730) 6.926 4.554 ( 3.214 3.200 0.861) 4.616 4.679 ( 0.106 0.652 -3.023) 3.094 4.850 ( -0.931 1.056 1.487) 2.047 4.972 ( 0.313 6.498 -3.181) 7.241 5.064 ( -2.118 1.918 2.455) 3.767 5.320 ( 0.001 0.078 1.563) 1.565 5.554 ( 2.959 3.818 0.624) 4.871 5.615 ( -0.995 1.419 -4.128) 4.477 5.771 ( 1.127 0.102 -2.254) 2.522 5.865 ( -0.004 1.008 0.567) 1.157 6.063 ( -3.466 -3.643 2.910) 5.809 6.116 ( 4.299 2.693 -2.918) 5.852 6.415 ( 0.243 5.152 2.901) 5.917 6.706 ( -0.863 0.927 1.413) 1.898 6.917 ( 4.783 1.550 4.995) 7.087 7.360 ( -3.745 4.847 -7.952) 10.038 7.575 ( 3.029 4.055 2.271) 5.547 8.105 ( -1.248 -2.515 -4.934) 5.677 8.319 ( -1.319 -3.671 2.299) 4.528 8.411 ( 1.427 -0.737 0.011) 1.606 8.585 ( 4.752 -0.871 2.551) 5.463 8.934 ( 0.476 -11.550 0.138) 11.560 9.012 ( 1.432 -10.464 1.287) 10.640 9.311 ( 1.231 -1.738 0.994) 2.351 9.382 ( -1.125 -0.053 -5.528) 5.642 9.621 ( 3.982 -3.115 5.061) 7.154 9.805 ( 3.313 2.227 -0.119) 3.994 10.108 ( 8.022 2.211 -3.273) 8.942 10.338 ( 3.006 0.399 -0.427) 3.062 10.444 ( 1.147 0.482 -2.968) 3.218 10.544 ( -3.415 0.905 -1.554) 3.860 10.599 ( 2.778 0.160 1.327) 3.083 10.821 ( 0.811 -1.764 0.126) 1.945 10.978 ( -8.013 -0.089 5.329) 9.624 11.227 ( -3.261 -0.518 1.004) 3.451 11.647 ( -2.092 6.191 -5.657) 8.644 11.911 ( 1.444 3.568 7.366) 8.311 12.299 ( -4.425 -2.153 -1.558) 5.162 12.438 ( 2.839 -2.416 1.014) 3.863 13.011 ( 1.267 -1.056 -0.001) 1.650 13.067 ( 2.459 -0.627 -1.393) 2.895 13.561 ( -0.030 -1.845 0.379) 1.884 13.671 ( -1.610 -1.057 2.086) 2.839 13.831 ( -0.755 -3.304 -2.163) 4.020 13.957 ( -2.130 -3.113 2.799) 4.697 14.281 ( -6.648 -3.724 1.700) 7.807 14.468 ( -4.470 -10.878 -6.984) 13.678 14.737 ( -4.539 1.816 -8.362) 9.686 15.103 ( -11.361 6.228 4.545) 13.731 15.965 ( 7.932 14.586 0.433) 16.609 16.067 ( 6.041 10.287 3.466) 12.422 17.913 ( 0.478 -0.281 -0.066) 0.558 17.934 ( 1.938 0.354 0.252) 1.986 ======================= Grid point 221 (97/168) ======================= q-point: (-0.27 -0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -17.258 -0.000 1.092) 17.292 1.057 ( -17.325 -0.000 -2.558) 17.513 1.316 ( -10.506 -0.000 -7.248) 12.764 1.677 ( -19.273 -0.000 0.738) 19.288 1.707 ( -12.951 -0.000 4.885) 13.842 1.817 ( -5.881 -0.000 6.577) 8.823 2.054 ( -7.102 -0.000 -1.405) 7.240 2.397 ( 6.877 0.000 4.954) 8.475 2.539 ( -3.330 -0.000 -7.900) 8.573 2.773 ( 4.493 0.000 2.136) 4.975 2.871 ( 4.669 0.000 -9.810) 10.865 2.921 ( 2.551 0.000 0.521) 2.604 3.067 ( -0.218 -0.000 -0.432) 0.484 3.250 ( 0.861 0.000 1.706) 1.911 3.699 ( 2.275 0.000 0.672) 2.372 3.796 ( 1.561 0.000 5.924) 6.126 4.154 ( 3.996 0.000 1.769) 4.371 4.199 ( -2.675 -0.000 -6.314) 6.857 4.493 ( 1.570 0.000 2.872) 3.273 4.546 ( 1.551 0.000 -1.897) 2.450 4.669 ( -2.796 -0.000 2.305) 3.623 4.924 ( -0.749 -0.000 -0.626) 0.976 5.066 ( 1.925 0.000 0.073) 1.926 5.279 ( 6.014 0.000 2.214) 6.408 5.533 ( 2.205 0.000 5.547) 5.969 5.553 ( -3.385 -0.000 -3.424) 4.815 5.662 ( 1.436 0.000 0.908) 1.699 5.721 ( 5.033 0.000 -4.778) 6.940 5.868 ( -2.291 -0.000 -3.948) 4.565 5.963 ( 2.586 0.000 10.896) 11.199 6.278 ( 3.349 0.000 1.831) 3.817 6.541 ( 3.273 0.000 1.440) 3.575 6.940 ( -0.091 -0.000 -7.107) 7.107 7.007 ( 2.207 0.000 0.913) 2.388 7.604 ( -6.689 -0.000 -11.027) 12.897 7.848 ( 4.202 0.000 6.329) 7.597 7.862 ( -0.980 -0.000 -7.603) 7.666 8.000 ( 4.915 0.000 6.840) 8.423 8.340 ( -1.335 -0.000 -0.157) 1.344 8.381 ( -0.553 -0.000 1.117) 1.247 8.506 ( 2.261 0.000 1.097) 2.513 8.533 ( 0.515 0.000 0.288) 0.590 9.264 ( -1.803 -0.000 1.567) 2.389 9.440 ( -1.614 -0.000 -7.316) 7.492 9.581 ( 2.459 0.000 2.131) 3.254 9.831 ( 5.869 0.000 -1.752) 6.125 10.181 ( 0.986 0.000 2.536) 2.720 10.234 ( 3.646 0.000 -1.444) 3.922 10.360 ( 5.816 0.000 -3.028) 6.557 10.442 ( 8.581 0.000 -3.060) 9.110 10.712 ( -3.517 -0.000 -2.763) 4.472 10.738 ( 1.444 0.000 4.868) 5.078 11.110 ( -4.929 -0.000 1.308) 5.100 11.270 ( 2.504 0.000 9.915) 10.226 11.893 ( -4.014 -0.000 -6.635) 7.755 12.105 ( -2.399 -0.000 -0.785) 2.525 12.233 ( -2.130 -0.000 -0.843) 2.291 12.325 ( -3.382 -0.000 1.246) 3.604 12.953 ( 4.111 0.000 -0.491) 4.140 12.975 ( 1.612 0.000 -0.228) 1.628 13.498 ( -0.585 -0.000 -1.392) 1.510 13.607 ( 0.990 0.000 2.804) 2.973 13.746 ( -4.619 -0.000 -0.661) 4.666 13.865 ( -0.906 -0.000 0.534) 1.051 14.104 ( -7.210 -0.000 -3.792) 8.147 14.151 ( -2.814 -0.000 3.305) 4.340 14.898 ( -10.050 -0.000 -0.767) 10.080 15.417 ( -15.099 -0.000 10.683) 18.496 16.380 ( 15.823 0.000 -8.321) 17.877 16.510 ( 5.367 0.000 -0.258) 5.373 17.898 ( 1.124 0.000 0.795) 1.377 17.903 ( 0.397 0.000 -0.885) 0.970 ======================= Grid point 222 (98/168) ======================= q-point: (-0.18 -0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -18.270 -0.357 -1.417) 18.329 0.983 ( -19.715 -4.939 0.209) 20.325 1.180 ( -10.774 -1.902 -3.686) 11.545 1.514 ( -15.714 -0.921 1.848) 15.849 1.649 ( -16.191 -5.582 2.459) 17.302 1.902 ( -10.628 -11.377 8.981) 17.973 2.050 ( -1.607 -0.654 1.939) 2.602 2.397 ( 1.123 3.431 -2.980) 4.681 2.553 ( 1.662 -4.422 -0.068) 4.724 2.802 ( 4.727 2.062 -1.150) 5.284 2.854 ( 2.644 -0.572 -8.987) 9.385 2.994 ( 2.344 -5.429 -5.958) 8.394 3.097 ( -0.033 -2.477 4.158) 4.840 3.261 ( 1.253 1.155 2.648) 3.149 3.648 ( 1.942 7.068 0.366) 7.339 3.778 ( 2.600 5.297 2.149) 6.280 4.145 ( -1.693 0.307 3.971) 4.327 4.234 ( 2.917 -2.336 -5.254) 6.447 4.505 ( 1.495 0.746 2.883) 3.332 4.575 ( 0.063 -2.099 -0.689) 2.210 4.662 ( -0.786 -0.104 2.109) 2.253 4.890 ( -1.298 1.951 0.007) 2.343 5.087 ( 2.480 0.372 0.376) 2.536 5.289 ( 4.260 5.143 -0.167) 6.680 5.416 ( -3.318 7.559 -0.225) 8.259 5.569 ( -1.853 -0.702 -1.027) 2.232 5.670 ( 3.194 1.407 -4.440) 5.648 5.787 ( 3.263 -4.741 1.548) 5.960 5.898 ( -0.909 -4.854 -0.442) 4.958 5.981 ( 2.322 7.159 11.712) 13.922 6.270 ( 4.600 4.619 0.014) 6.519 6.563 ( 2.506 1.550 1.545) 3.327 6.798 ( -3.649 7.385 -8.600) 11.909 6.996 ( 2.595 2.868 1.795) 4.264 7.493 ( -6.805 1.458 -9.886) 12.090 7.754 ( 0.873 5.383 -0.783) 5.509 7.984 ( 1.887 -4.700 1.384) 5.250 8.145 ( 4.242 -7.314 4.464) 9.562 8.346 ( 0.602 -1.994 0.567) 2.159 8.468 ( -0.299 -10.076 -0.994) 10.129 8.528 ( 3.244 -1.725 1.371) 3.922 8.652 ( 2.546 -9.880 1.591) 10.326 9.267 ( -0.353 -0.642 1.188) 1.396 9.386 ( -1.393 0.285 -8.502) 8.620 9.599 ( 2.451 1.335 4.354) 5.172 9.865 ( 5.778 0.811 -1.443) 6.010 10.185 ( 3.623 1.600 -0.478) 3.989 10.277 ( 2.117 -2.445 -0.064) 3.235 10.425 ( 5.366 -3.579 -3.588) 7.381 10.489 ( 6.781 0.383 -1.838) 7.036 10.651 ( -3.142 2.313 -0.846) 3.992 10.789 ( 1.137 -1.568 2.360) 3.053 11.042 ( -7.764 2.749 2.015) 8.479 11.285 ( -0.956 3.615 4.611) 5.936 11.827 ( 0.804 3.205 -5.000) 5.993 12.048 ( -2.065 3.602 3.653) 5.530 12.229 ( -4.157 -1.509 -0.996) 4.533 12.341 ( -0.072 -2.665 2.512) 3.663 12.975 ( 1.758 -0.411 0.268) 1.825 13.025 ( 4.218 -2.483 -1.237) 5.049 13.500 ( -0.293 -1.279 -0.724) 1.498 13.630 ( -1.427 -0.926 2.933) 3.390 13.726 ( -2.756 -2.108 -1.059) 3.628 13.872 ( -1.400 -1.514 0.769) 2.200 14.077 ( -7.656 -5.430 -3.126) 9.893 14.193 ( -2.449 -5.544 1.872) 6.343 14.803 ( -7.552 1.374 -4.916) 9.115 15.291 ( -16.917 3.536 4.876) 17.957 16.410 ( 10.740 9.639 -2.075) 14.580 16.443 ( 6.912 9.607 0.684) 11.854 17.904 ( 0.463 -0.194 -0.546) 0.742 17.924 ( 1.949 -1.093 0.603) 2.315 ======================= Grid point 223 (99/168) ======================= q-point: (-0.09 -0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -10.813 -11.940 -3.534) 16.492 0.966 ( -11.697 -10.522 2.742) 15.970 1.247 ( -6.960 -11.971 0.959) 13.880 1.503 ( -9.507 -6.808 4.845) 12.657 1.665 ( -13.388 -8.497 3.565) 16.253 2.025 ( -4.777 0.365 -0.978) 4.890 2.062 ( -9.829 -10.855 5.759) 15.736 2.382 ( -0.704 -4.299 1.456) 4.593 2.652 ( 1.654 -4.507 2.063) 5.226 2.772 ( 3.764 3.078 -4.977) 6.958 2.838 ( 3.121 1.522 -6.077) 6.999 3.057 ( -0.960 -5.637 -8.887) 10.568 3.150 ( -1.312 -0.740 2.996) 3.353 3.250 ( 1.191 2.535 3.352) 4.368 3.532 ( 1.397 7.136 -1.029) 7.343 3.739 ( 3.521 2.875 2.066) 4.994 4.146 ( -2.553 0.372 4.364) 5.069 4.232 ( 2.145 1.361 -5.422) 5.987 4.508 ( 0.180 2.311 3.006) 3.796 4.595 ( 0.364 -0.719 0.462) 0.929 4.681 ( 1.239 -0.320 -0.928) 1.581 4.861 ( -1.755 0.518 1.720) 2.511 5.075 ( 2.198 4.241 1.104) 4.902 5.151 ( -0.553 9.900 -1.100) 9.976 5.325 ( -0.572 0.900 0.554) 1.202 5.564 ( -3.237 -1.747 -1.377) 3.927 5.633 ( 3.432 2.887 -5.496) 7.093 5.850 ( -0.193 7.430 2.060) 7.712 5.876 ( -0.174 -1.156 1.237) 1.702 5.998 ( -0.809 -3.011 5.650) 6.453 6.222 ( 7.063 5.369 -2.100) 9.117 6.506 ( -0.992 5.150 -0.119) 5.246 6.693 ( -2.303 -0.426 -1.125) 2.598 6.996 ( 3.658 1.303 3.190) 5.025 7.360 ( -5.094 3.248 -6.836) 9.123 7.676 ( 1.217 4.718 -0.060) 4.873 8.052 ( 0.572 -1.941 -0.105) 2.027 8.256 ( -0.789 -3.572 2.196) 4.267 8.406 ( 2.680 -1.826 -0.325) 3.259 8.602 ( 4.197 -2.234 1.098) 4.879 8.694 ( -0.562 -15.454 0.367) 15.468 8.892 ( 7.406 -10.280 2.719) 12.959 9.292 ( 1.183 -1.775 -0.454) 2.181 9.342 ( -0.828 -0.668 -6.970) 7.051 9.639 ( 3.351 -0.810 5.801) 6.748 9.872 ( 3.688 2.431 -0.317) 4.429 10.189 ( 6.923 1.621 -3.064) 7.743 10.336 ( 2.328 -2.001 0.090) 3.071 10.470 ( 2.799 0.802 -4.123) 5.047 10.524 ( 0.637 0.110 -0.710) 0.960 10.618 ( 1.764 -1.140 1.220) 2.429 10.808 ( -0.896 0.216 0.378) 0.996 10.937 ( -10.019 1.659 2.767) 10.525 11.210 ( -5.948 2.252 1.707) 6.585 11.736 ( 2.268 6.823 -3.837) 8.149 12.003 ( -0.708 2.999 5.151) 6.003 12.219 ( -4.198 -2.243 -0.514) 4.788 12.418 ( 3.005 -3.323 1.544) 4.739 13.000 ( 0.546 -1.130 0.326) 1.297 13.071 ( 2.049 -0.313 -1.666) 2.659 13.528 ( 0.127 -2.173 -0.065) 2.177 13.641 ( -2.881 -1.601 1.530) 3.634 13.764 ( -0.027 -3.297 -0.240) 3.306 13.898 ( -2.373 -2.592 1.423) 3.792 14.121 ( -7.667 -7.715 -1.359) 10.961 14.290 ( -0.676 -6.286 -0.821) 6.375 14.694 ( -4.376 1.659 -8.084) 9.341 15.108 ( -14.225 4.636 1.527) 15.039 16.224 ( -0.207 12.075 6.004) 13.487 16.358 ( 12.213 13.060 -1.487) 17.943 17.911 ( 0.430 -0.358 -0.221) 0.602 17.958 ( 2.799 -0.084 0.229) 2.809 ======================= Grid point 233 (100/168) ======================= q-point: (-0.18 -0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -20.763 -0.000 6.603) 21.787 0.748 ( -21.183 -0.000 1.706) 21.251 1.060 ( -15.445 -0.000 -4.448) 16.073 1.264 ( -34.666 -0.000 -8.614) 35.720 1.455 ( -11.392 -0.000 5.311) 12.570 1.814 ( -7.186 -0.000 21.757) 22.913 2.092 ( 4.399 0.000 2.935) 5.288 2.401 ( -2.650 -0.000 -14.094) 14.341 2.529 ( 4.663 0.000 2.361) 5.226 2.807 ( 2.689 0.000 -11.404) 11.717 2.859 ( 2.714 0.000 0.482) 2.757 2.970 ( 3.717 0.000 -3.173) 4.888 3.089 ( 0.716 0.000 3.825) 3.891 3.314 ( 4.459 0.000 5.140) 6.805 3.738 ( 2.605 0.000 -1.069) 2.816 3.864 ( 2.642 0.000 0.864) 2.779 4.132 ( -2.736 -0.000 0.973) 2.904 4.216 ( 2.722 0.000 0.057) 2.723 4.532 ( -0.739 -0.000 2.237) 2.356 4.540 ( -0.295 -0.000 -1.486) 1.515 4.669 ( -0.694 -0.000 2.751) 2.837 4.897 ( -1.326 -0.000 -1.012) 1.668 5.102 ( 3.351 0.000 -0.916) 3.474 5.383 ( 4.961 0.000 0.196) 4.965 5.426 ( -5.726 -0.000 -5.106) 7.672 5.593 ( 0.871 0.000 0.369) 0.946 5.694 ( -1.049 -0.000 3.349) 3.510 5.770 ( 5.978 0.000 -2.310) 6.409 5.827 ( 0.647 0.000 -1.725) 1.843 6.183 ( 6.604 0.000 23.431) 24.344 6.345 ( 3.096 0.000 1.058) 3.271 6.602 ( 2.602 0.000 1.855) 3.195 6.832 ( -1.403 -0.000 -15.057) 15.122 7.029 ( 0.865 0.000 -0.572) 1.037 7.392 ( -6.742 -0.000 -9.798) 11.893 7.792 ( -0.316 -0.000 -4.922) 4.932 7.951 ( 2.701 0.000 3.724) 4.600 8.126 ( 3.553 0.000 5.096) 6.212 8.317 ( -1.130 -0.000 -0.477) 1.227 8.372 ( -1.824 -0.000 0.896) 2.032 8.558 ( 3.300 0.000 0.095) 3.301 8.562 ( 1.684 0.000 2.301) 2.852 9.265 ( 0.218 0.000 0.877) 0.904 9.326 ( -2.529 -0.000 -10.879) 11.170 9.659 ( 2.825 0.000 6.542) 7.125 9.907 ( 5.496 0.000 -1.731) 5.762 10.217 ( 1.243 0.000 1.052) 1.629 10.268 ( 2.760 0.000 -0.412) 2.790 10.423 ( 6.027 0.000 -4.009) 7.239 10.541 ( 6.435 0.000 -1.342) 6.573 10.643 ( -2.713 -0.000 -0.978) 2.884 10.800 ( 2.015 0.000 2.405) 3.138 11.003 ( -10.096 -0.000 1.057) 10.151 11.341 ( -0.079 -0.000 -1.523) 1.525 11.865 ( 5.884 0.000 -2.848) 6.537 12.062 ( -4.457 -0.000 2.979) 5.361 12.203 ( -0.910 -0.000 -0.179) 0.928 12.325 ( -0.867 -0.000 5.116) 5.189 13.001 ( 1.412 0.000 0.426) 1.474 13.007 ( 3.853 0.000 -1.116) 4.011 13.485 ( -0.386 -0.000 0.321) 0.502 13.603 ( -6.549 -0.000 1.877) 6.813 13.691 ( -0.210 -0.000 0.708) 0.739 13.851 ( -1.415 -0.000 0.485) 1.496 13.957 ( -6.901 -0.000 -2.909) 7.489 14.124 ( -3.347 -0.000 1.532) 3.681 14.731 ( -5.951 -0.000 -8.521) 10.393 15.199 ( -16.833 -0.000 1.269) 16.881 16.595 ( 15.210 0.000 -1.837) 15.320 16.597 ( 3.240 0.000 5.893) 6.724 17.903 ( 0.419 0.000 -0.524) 0.671 17.922 ( 0.965 0.000 0.587) 1.129 ======================= Grid point 234 (101/168) ======================= q-point: (-0.09 -0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -19.374 -2.008 3.680) 19.822 0.692 ( -18.405 -9.455 4.701) 21.219 0.983 ( -13.392 -9.952 4.582) 17.303 1.207 ( -25.570 -19.403 -0.568) 32.103 1.435 ( -8.486 -3.791 3.326) 9.871 1.852 ( -9.996 1.006 14.072) 17.290 2.122 ( 2.598 2.911 5.631) 6.851 2.267 ( -6.487 -1.874 -11.123) 13.012 2.606 ( 2.056 -3.422 -0.402) 4.012 2.802 ( 4.717 -1.833 -8.886) 10.226 2.866 ( 1.793 0.655 -1.393) 2.363 2.964 ( 1.044 0.839 -4.715) 4.902 3.150 ( 2.272 -2.205 3.360) 4.617 3.355 ( 5.633 4.122 7.110) 9.964 3.671 ( 1.110 7.477 -1.536) 7.713 3.832 ( 2.350 4.185 -1.351) 4.986 4.135 ( -3.024 -0.580 3.800) 4.891 4.249 ( 2.782 -0.470 -2.283) 3.629 4.515 ( -2.701 -0.494 0.837) 2.871 4.560 ( -2.068 -2.192 0.469) 3.050 4.679 ( 0.162 -0.365 1.533) 1.584 4.870 ( -0.841 1.185 0.307) 1.486 5.142 ( 4.574 -0.213 -0.183) 4.582 5.314 ( -1.999 7.602 -2.475) 8.241 5.354 ( 0.264 3.599 -1.205) 3.804 5.546 ( -2.942 3.192 0.653) 4.390 5.671 ( 2.553 2.425 -4.117) 5.418 5.823 ( -0.078 -3.967 0.734) 4.035 5.897 ( 0.247 -2.584 0.664) 2.679 6.155 ( 1.194 16.201 14.639) 21.868 6.361 ( 6.508 4.102 2.918) 8.227 6.558 ( -4.632 5.169 -8.839) 11.239 6.670 ( -1.348 0.356 1.891) 2.349 7.050 ( 2.773 0.946 1.136) 3.143 7.317 ( -5.042 -0.206 -5.162) 7.219 7.743 ( 0.293 2.866 -1.298) 3.160 8.041 ( 1.792 -1.663 2.145) 3.252 8.214 ( 0.515 -2.676 1.821) 3.278 8.378 ( 3.237 -5.284 -0.109) 6.197 8.449 ( -0.621 -10.704 -0.412) 10.730 8.598 ( 3.265 -1.946 -0.095) 3.803 8.766 ( 11.359 -16.000 2.285) 19.754 9.251 ( -3.123 -1.005 -9.883) 10.413 9.287 ( 0.390 -1.582 -1.369) 2.128 9.709 ( 4.430 1.449 8.640) 9.817 9.932 ( 3.940 1.231 -1.217) 4.304 10.229 ( 3.385 -0.157 -0.910) 3.509 10.327 ( 3.414 -2.725 1.206) 4.532 10.459 ( 3.926 -0.881 -3.682) 5.454 10.565 ( 3.723 1.664 -0.196) 4.083 10.615 ( -0.985 0.282 0.615) 1.195 10.817 ( -0.213 0.936 1.392) 1.691 10.902 ( -9.805 2.167 0.660) 10.063 11.221 ( -9.278 6.092 -3.524) 11.645 11.865 ( 6.646 5.300 -2.302) 8.807 12.037 ( -3.178 0.667 2.170) 3.906 12.177 ( -2.163 0.910 0.816) 2.484 12.386 ( 1.569 -3.875 2.342) 4.792 12.992 ( 0.121 0.128 0.439) 0.473 13.066 ( 1.332 -1.199 -1.854) 2.578 13.495 ( -0.341 -1.466 0.348) 1.545 13.580 ( -4.666 -2.739 0.531) 5.437 13.723 ( 0.403 -2.166 1.396) 2.608 13.855 ( -1.367 -1.281 0.898) 2.077 13.943 ( -5.728 -5.331 -1.506) 7.969 14.185 ( 0.936 -7.189 0.762) 7.289 14.633 ( -4.818 0.208 -11.828) 12.773 15.057 ( -13.524 2.265 -0.787) 13.734 16.481 ( -2.187 15.917 11.761) 19.911 16.631 ( 11.635 7.967 -0.693) 14.119 17.907 ( 0.409 -0.306 -0.239) 0.564 17.966 ( 3.094 -2.194 -0.229) 3.800 ======================= Grid point 245 (102/168) ======================= q-point: (-0.09 -0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -23.314 -0.000 6.831) 24.294 0.468 ( -19.826 -0.000 12.716) 23.554 0.714 ( -29.690 -0.000 18.268) 34.860 0.813 ( -14.299 -0.000 7.013) 15.926 1.370 ( -4.939 -0.000 0.196) 4.943 1.917 ( -4.388 -0.000 -7.115) 8.359 2.102 ( -12.749 -0.000 -19.061) 22.931 2.256 ( 9.730 0.000 23.166) 25.127 2.575 ( 0.182 0.000 -0.705) 0.728 2.765 ( 4.870 0.000 -10.270) 11.366 2.871 ( 0.067 0.000 -2.033) 2.034 2.981 ( 2.230 0.000 -3.152) 3.861 3.160 ( 2.132 0.000 5.903) 6.276 3.533 ( 15.115 0.000 8.588) 17.384 3.747 ( 0.306 0.000 -1.993) 2.016 3.851 ( -0.618 -0.000 -8.834) 8.855 4.145 ( -0.862 -0.000 7.739) 7.787 4.243 ( 1.813 0.000 -0.462) 1.871 4.481 ( -7.416 -0.000 1.199) 7.513 4.522 ( -0.791 -0.000 0.804) 1.128 4.683 ( -0.383 -0.000 1.316) 1.370 4.879 ( 0.213 0.000 -0.423) 0.474 5.162 ( 5.413 0.000 -0.593) 5.445 5.311 ( -4.033 -0.000 -2.303) 4.644 5.419 ( 1.515 0.000 -4.217) 4.480 5.546 ( -5.692 -0.000 -4.010) 6.963 5.693 ( -3.233 -0.000 4.476) 5.522 5.842 ( 1.899 0.000 -0.592) 1.989 5.844 ( 4.184 0.000 -1.129) 4.334 6.391 ( 1.485 0.000 0.839) 1.705 6.464 ( -12.090 -0.000 -19.251) 22.732 6.573 ( 6.591 0.000 -2.397) 7.013 6.881 ( 20.860 0.000 31.002) 37.366 7.038 ( 0.879 0.000 0.158) 0.893 7.277 ( 1.868 0.000 3.601) 4.057 7.767 ( 1.085 0.000 0.571) 1.227 7.993 ( 0.049 0.000 -0.030) 0.057 8.200 ( 0.803 0.000 2.400) 2.530 8.298 ( -0.466 -0.000 -0.409) 0.620 8.345 ( -2.004 -0.000 0.464) 2.057 8.599 ( 2.223 0.000 -1.146) 2.501 8.617 ( 1.253 0.000 -0.032) 1.253 9.149 ( -6.580 -0.000 -6.544) 9.280 9.278 ( 0.791 0.000 -0.333) 0.859 9.833 ( 9.606 0.000 10.653) 14.345 9.964 ( 3.948 0.000 -2.093) 4.468 10.261 ( 4.346 0.000 5.041) 6.656 10.313 ( 2.731 0.000 -0.189) 2.738 10.487 ( 5.445 0.000 -0.400) 5.459 10.612 ( 2.651 0.000 0.781) 2.763 10.615 ( -0.800 -0.000 1.042) 1.314 10.846 ( -9.829 -0.000 1.316) 9.917 10.852 ( 3.046 0.000 0.511) 3.088 11.171 ( -13.471 -0.000 -17.896) 22.400 11.960 ( 6.326 0.000 -1.628) 6.532 12.016 ( -4.288 -0.000 0.644) 4.336 12.209 ( 2.151 0.000 -0.508) 2.210 12.336 ( -3.405 -0.000 0.383) 3.426 13.019 ( -0.067 -0.000 0.532) 0.536 13.028 ( -0.870 -0.000 -3.215) 3.331 13.481 ( -1.214 -0.000 0.349) 1.263 13.486 ( -7.668 -0.000 0.689) 7.699 13.712 ( 0.003 0.000 1.964) 1.964 13.836 ( -1.644 -0.000 -1.354) 2.130 13.874 ( 0.426 0.000 3.164) 3.193 14.082 ( -2.476 -0.000 -0.300) 2.494 14.504 ( -10.429 -0.000 -12.823) 16.528 14.973 ( -10.056 -0.000 -2.319) 10.320 16.781 ( 8.826 0.000 0.232) 8.829 16.810 ( 12.982 0.000 16.009) 20.611 17.907 ( 0.409 0.000 -0.069) 0.415 17.937 ( 0.400 0.000 0.250) 0.471 ======================= Grid point 246 (103/168) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 5.132 0.000 15.847) 16.657 0.963 ( 1.998 0.000 19.578) 19.680 1.047 ( 0.393 0.000 -5.691) 5.705 1.194 ( -1.972 -0.000 10.358) 10.544 1.283 ( -9.370 -0.000 -6.940) 11.661 1.497 ( 0.163 0.000 -12.967) 12.968 1.629 ( 4.241 0.000 25.335) 25.688 2.197 ( -5.517 -0.000 -22.474) 23.142 2.639 ( 6.205 0.000 -1.539) 6.393 2.693 ( -4.946 -0.000 -5.512) 7.406 2.991 ( 7.702 0.000 11.730) 14.033 3.092 ( 3.392 0.000 3.630) 4.968 3.410 ( 3.422 0.000 7.238) 8.006 3.429 ( -5.472 -0.000 -9.347) 10.831 3.446 ( -2.393 -0.000 -8.542) 8.871 3.562 ( -3.778 -0.000 -7.003) 7.957 4.306 ( -1.848 -0.000 2.465) 3.081 4.336 ( 3.941 0.000 -0.830) 4.027 4.516 ( -2.645 -0.000 3.402) 4.309 4.571 ( 2.738 0.000 -1.305) 3.033 4.746 ( -1.140 -0.000 5.153) 5.278 4.846 ( 0.599 0.000 -3.650) 3.699 5.275 ( 4.782 0.000 2.467) 5.381 5.290 ( -7.195 -0.000 -0.156) 7.197 5.294 ( 1.662 0.000 1.236) 2.071 5.368 ( 0.163 0.000 -4.342) 4.345 5.794 ( -3.588 -0.000 3.059) 4.715 5.826 ( 1.351 0.000 -1.083) 1.732 5.912 ( 2.811 0.000 5.439) 6.122 6.057 ( -3.606 -0.000 -6.239) 7.207 6.428 ( -0.858 -0.000 1.217) 1.489 6.466 ( 0.672 0.000 -3.021) 3.095 7.104 ( 1.016 0.000 1.969) 2.215 7.136 ( 0.172 0.000 -0.927) 0.943 7.697 ( 3.883 0.000 7.154) 8.139 7.840 ( -4.383 -0.000 -6.279) 7.658 8.021 ( 7.202 0.000 4.664) 8.580 8.117 ( -6.135 -0.000 -4.092) 7.375 8.350 ( 2.253 0.000 1.400) 2.653 8.360 ( -0.926 -0.000 0.523) 1.063 8.520 ( -3.873 -0.000 1.130) 4.034 8.552 ( 0.918 0.000 -2.036) 2.234 9.216 ( 4.240 0.000 1.037) 4.365 9.244 ( -1.278 -0.000 -1.621) 2.065 9.919 ( -2.652 -0.000 0.036) 2.652 9.943 ( 2.282 0.000 -2.041) 3.062 10.379 ( 0.783 0.000 3.585) 3.669 10.473 ( -0.895 -0.000 -4.986) 5.065 10.610 ( 0.781 0.000 1.488) 1.680 10.636 ( 1.051 0.000 -1.008) 1.456 10.724 ( 8.070 0.000 1.161) 8.153 10.726 ( -6.503 -0.000 0.694) 6.540 10.828 ( -3.887 -0.000 5.124) 6.432 10.905 ( 1.978 0.000 -1.495) 2.479 11.905 ( -1.118 -0.000 -0.768) 1.357 11.930 ( 0.424 0.000 -2.852) 2.883 12.222 ( 0.119 0.000 0.398) 0.415 12.245 ( 0.163 0.000 -1.628) 1.636 12.999 ( 1.502 0.000 0.613) 1.623 13.009 ( -1.096 -0.000 -0.307) 1.139 13.450 ( -0.579 -0.000 1.180) 1.315 13.469 ( 1.177 0.000 -0.547) 1.298 13.760 ( -2.693 -0.000 2.184) 3.467 13.800 ( 2.801 0.000 -1.536) 3.195 13.951 ( -0.261 -0.000 2.170) 2.186 14.003 ( -0.615 -0.000 -2.533) 2.607 14.547 ( 1.682 0.000 8.621) 8.784 14.724 ( -1.239 -0.000 -7.804) 7.901 16.911 ( 1.906 0.000 2.485) 3.132 16.965 ( -2.473 -0.000 -2.519) 3.530 17.925 ( 0.633 0.000 0.503) 0.809 17.934 ( -0.614 -0.000 -0.313) 0.689 ======================= Grid point 247 (104/168) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 5.024 -3.546 12.269) 13.724 1.000 ( -2.534 -4.121 -8.751) 9.999 1.108 ( 8.635 0.136 18.141) 20.091 1.203 ( -1.042 -1.620 -6.647) 6.921 1.422 ( 8.333 -12.991 7.776) 17.282 1.464 ( 1.462 -4.389 -12.206) 13.054 1.911 ( 8.541 -8.970 24.614) 27.555 2.102 ( -3.097 -5.768 -21.140) 22.130 2.611 ( -5.937 0.899 -1.869) 6.289 2.702 ( 4.898 -2.156 -2.408) 5.869 3.050 ( 4.444 2.171 7.669) 9.125 3.093 ( -1.792 1.838 -8.876) 9.239 3.373 ( -2.917 -1.097 5.297) 6.146 3.384 ( -8.819 0.716 -4.788) 10.060 3.447 ( 4.339 2.598 5.134) 7.206 3.499 ( 0.619 0.040 -7.090) 7.117 4.223 ( -3.689 6.688 2.519) 8.043 4.319 ( 4.511 3.921 -2.474) 6.468 4.546 ( -2.039 -2.483 1.628) 3.602 4.604 ( 2.886 -1.370 -0.855) 3.308 4.752 ( -1.247 1.248 5.189) 5.480 4.820 ( 0.318 1.596 -4.148) 4.456 5.219 ( -4.290 2.954 0.883) 5.283 5.290 ( -2.857 -0.124 1.561) 3.258 5.327 ( 1.824 0.872 -1.635) 2.600 5.409 ( 6.766 -5.380 -0.857) 8.687 5.714 ( -4.337 5.153 1.634) 6.930 5.795 ( 3.030 4.587 -1.244) 5.637 5.984 ( -0.331 -2.770 6.563) 7.131 6.057 ( -0.687 -4.071 -4.723) 6.273 6.396 ( -3.933 3.022 -0.342) 4.972 6.440 ( 1.161 2.014 -0.545) 2.388 6.978 ( -7.004 12.452 -1.503) 14.365 7.050 ( 4.324 8.859 2.320) 10.127 7.701 ( 1.523 5.392 2.928) 6.322 7.711 ( -1.062 5.894 -2.115) 6.352 8.070 ( -4.681 -3.873 -1.752) 6.323 8.115 ( 3.697 -3.407 2.236) 5.502 8.446 ( -3.025 -6.536 -0.812) 7.248 8.487 ( 2.553 -3.667 0.194) 4.472 8.565 ( -6.023 -12.949 -0.793) 14.303 8.618 ( 2.078 -9.300 1.469) 9.642 9.233 ( -0.968 -0.942 -2.071) 2.473 9.256 ( 3.892 -0.656 -0.472) 3.975 9.852 ( -5.369 3.899 1.426) 6.786 9.942 ( 3.116 1.177 -2.185) 3.984 10.344 ( -4.018 3.295 2.440) 5.741 10.431 ( 2.151 1.972 -3.024) 4.202 10.566 ( -8.766 0.356 1.499) 8.901 10.689 ( -2.178 1.085 -0.994) 2.629 10.701 ( 0.420 -3.220 -1.538) 3.593 10.807 ( -4.494 0.243 2.944) 5.378 10.831 ( 10.484 -2.272 1.386) 10.816 10.900 ( 3.501 1.409 -0.407) 3.795 11.857 ( -2.365 3.709 -0.446) 4.421 11.901 ( 2.106 2.426 -1.405) 3.507 12.227 ( -0.571 -0.708 2.992) 3.127 12.269 ( 0.053 -2.878 -3.188) 4.296 13.004 ( 0.097 -0.201 0.174) 0.283 13.025 ( 2.648 -0.404 -0.356) 2.702 13.495 ( 1.404 -3.474 0.531) 3.785 13.520 ( 3.522 -3.309 -0.938) 4.923 13.762 ( -2.082 -1.458 2.208) 3.367 13.817 ( 1.071 -0.821 -1.486) 2.008 14.026 ( 1.777 -6.722 4.426) 8.242 14.079 ( 0.556 -9.794 -5.288) 11.144 14.611 ( 4.749 0.071 8.121) 9.408 14.681 ( 1.450 0.732 -8.300) 8.457 16.774 ( -5.871 15.570 1.199) 16.683 16.816 ( -0.984 12.393 0.684) 12.451 17.932 ( -0.435 -0.410 0.131) 0.612 17.937 ( -0.128 -0.592 -0.345) 0.697 ======================= Grid point 248 (105/168) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 1.895 -6.611 -8.095) 10.622 1.085 ( 4.291 -5.248 6.148) 9.152 1.204 ( 3.456 -4.251 -7.724) 9.469 1.313 ( 11.700 -4.237 13.623) 18.451 1.568 ( 0.083 -9.643 -0.453) 9.654 1.791 ( 12.360 -14.962 4.418) 19.903 2.134 ( -0.304 -8.357 -9.079) 12.343 2.208 ( 5.970 -7.689 10.094) 14.023 2.575 ( -5.644 -2.457 2.191) 6.533 2.744 ( 3.569 0.121 -5.905) 6.901 2.996 ( -4.693 -1.899 -10.792) 11.920 3.085 ( 1.658 -0.194 3.615) 3.981 3.272 ( -6.029 2.292 -2.741) 7.008 3.362 ( -1.585 4.238 5.633) 7.226 3.443 ( 1.113 1.736 -1.763) 2.713 3.534 ( 4.647 -1.966 2.811) 5.776 4.097 ( -5.081 4.865 2.811) 7.575 4.283 ( 4.529 2.290 -3.011) 5.901 4.557 ( -2.037 0.715 1.768) 2.790 4.633 ( 1.277 -0.166 -0.893) 1.567 4.732 ( -1.478 2.244 3.360) 4.302 4.758 ( 1.419 4.112 -2.990) 5.278 5.133 ( -2.664 4.208 1.516) 5.206 5.236 ( 1.091 4.115 -2.532) 4.953 5.351 ( -4.541 -3.210 2.477) 6.087 5.543 ( 3.977 -0.723 -1.562) 4.333 5.619 ( -0.048 -1.487 -2.505) 2.913 5.726 ( 3.126 5.987 0.332) 6.762 6.042 ( -1.251 -1.065 0.480) 1.711 6.102 ( 0.411 -2.458 1.123) 2.734 6.282 ( -4.452 5.545 2.273) 7.465 6.378 ( -3.351 4.514 -0.643) 5.658 6.725 ( -4.636 8.521 -0.999) 9.751 6.930 ( 6.039 10.238 2.382) 12.123 7.539 ( -6.138 4.279 -7.655) 10.704 7.678 ( 3.316 5.282 4.358) 7.608 8.123 ( -2.985 -6.028 -1.947) 7.003 8.228 ( 3.487 -4.350 2.424) 6.079 8.475 ( -2.804 -1.855 -2.109) 3.969 8.518 ( -0.376 -0.501 2.563) 2.638 8.789 ( -3.752 -16.055 -2.090) 16.619 8.856 ( -0.706 -13.682 4.765) 14.505 9.241 ( -0.479 -1.989 -2.645) 3.344 9.295 ( 3.086 -1.174 -1.233) 3.524 9.753 ( -5.144 3.269 2.420) 6.558 9.934 ( 4.472 1.873 -2.485) 5.449 10.270 ( -3.104 4.412 3.695) 6.538 10.361 ( 2.421 6.788 -2.428) 7.605 10.521 ( -10.684 -4.367 -2.312) 11.771 10.640 ( -3.038 1.570 -0.325) 3.435 10.710 ( -6.654 -1.773 -2.480) 7.320 10.767 ( 1.046 1.581 1.826) 2.632 10.918 ( 3.836 0.013 1.108) 3.993 10.983 ( 8.726 -3.903 1.595) 9.691 11.749 ( -3.228 5.374 -2.128) 6.620 11.890 ( 6.333 2.985 2.525) 7.442 12.267 ( -0.907 -2.529 4.172) 4.962 12.304 ( 0.398 -2.830 -3.355) 4.407 13.015 ( 0.328 -0.681 0.441) 0.875 13.042 ( 1.756 0.054 -0.974) 2.009 13.574 ( 0.512 -4.121 -0.634) 4.201 13.590 ( 2.558 -2.375 0.252) 3.500 13.799 ( 0.186 -2.420 2.210) 3.283 13.838 ( 0.050 -2.088 -0.529) 2.154 14.207 ( 1.347 -9.007 4.045) 9.965 14.263 ( 3.328 -12.974 -6.692) 14.973 14.638 ( 1.574 0.904 -7.935) 8.140 14.700 ( 7.091 -0.641 6.362) 9.549 16.421 ( -7.074 20.318 3.694) 21.830 16.532 ( -1.163 18.111 -1.617) 18.221 17.931 ( -0.938 -0.359 -0.519) 1.130 17.942 ( -0.155 0.038 0.500) 0.525 ======================= Grid point 249 (106/168) ======================= q-point: ( 0.27 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 1.580 -7.981 -8.414) 11.704 1.236 ( 4.193 -5.505 4.618) 8.319 1.348 ( 8.640 -8.831 -2.360) 12.578 1.547 ( 10.721 -5.436 10.477) 15.946 1.744 ( -0.651 -9.138 5.832) 10.860 2.052 ( 7.000 -5.967 -6.281) 11.138 2.269 ( 0.740 -4.337 5.125) 6.755 2.392 ( 4.490 -9.236 0.330) 10.275 2.626 ( -3.866 -5.599 4.075) 7.931 2.698 ( -0.265 0.904 -5.931) 6.005 2.989 ( -4.072 -4.644 -7.426) 9.659 3.117 ( 2.559 -0.692 -1.232) 2.923 3.208 ( -1.527 -0.552 -4.339) 4.633 3.293 ( 0.474 4.837 2.551) 5.489 3.395 ( -2.230 2.657 -0.055) 3.469 3.612 ( 4.866 -0.621 3.606) 6.088 4.012 ( -5.424 1.764 2.147) 6.095 4.293 ( 1.805 -1.331 -2.107) 3.077 4.500 ( -0.764 5.491 3.254) 6.428 4.613 ( -2.082 2.020 -0.899) 3.037 4.663 ( 2.544 4.890 -3.475) 6.516 4.727 ( 0.801 0.782 1.991) 2.284 5.051 ( -2.500 3.743 -0.262) 4.509 5.165 ( 1.014 4.071 -1.407) 4.425 5.359 ( -4.931 -0.943 2.857) 5.776 5.484 ( -1.873 2.553 -0.601) 3.223 5.646 ( 0.756 4.651 -0.372) 4.727 5.749 ( 6.163 -6.794 -4.222) 10.098 5.953 ( -2.031 6.648 -4.663) 8.371 6.133 ( -1.362 0.798 2.242) 2.742 6.230 ( 0.370 1.952 4.082) 4.540 6.290 ( -4.359 -0.509 1.865) 4.768 6.601 ( -1.575 4.386 0.167) 4.664 6.859 ( 7.241 5.875 4.755) 10.467 7.393 ( -6.738 3.168 -6.764) 10.059 7.626 ( 1.096 4.359 1.682) 4.799 8.169 ( -3.473 -3.234 -3.400) 5.837 8.324 ( 2.539 -3.130 0.692) 4.089 8.464 ( -1.707 -0.433 -1.736) 2.473 8.537 ( -0.280 -0.248 4.234) 4.251 9.002 ( -2.360 -12.176 -0.397) 12.409 9.075 ( -3.206 -11.220 3.612) 12.216 9.263 ( 0.364 -2.041 -2.706) 3.409 9.335 ( 2.126 -2.062 -1.467) 3.305 9.698 ( -3.435 0.866 3.714) 5.133 9.928 ( 5.084 1.734 -2.979) 6.143 10.157 ( -4.042 7.145 2.220) 8.504 10.266 ( 2.409 4.890 -0.627) 5.487 10.505 ( -7.604 -3.746 -4.284) 9.497 10.586 ( -3.280 1.699 -1.017) 3.831 10.662 ( -4.954 0.833 1.042) 5.131 10.785 ( 0.663 -1.722 -0.368) 1.882 10.964 ( 1.418 -1.943 2.587) 3.533 11.106 ( 6.355 -3.022 0.820) 7.084 11.622 ( -2.570 5.040 -3.028) 6.417 11.912 ( 7.240 3.335 5.012) 9.416 12.319 ( -1.013 -2.708 -0.852) 3.014 12.346 ( 1.212 -2.424 1.481) 3.089 13.034 ( 0.478 -0.743 0.472) 1.002 13.044 ( 0.659 0.207 -1.169) 1.358 13.614 ( -0.969 -1.998 -1.141) 2.497 13.655 ( 0.634 -2.551 1.430) 2.993 13.842 ( -0.743 -2.092 -0.266) 2.236 13.909 ( 2.971 -4.405 2.966) 6.085 14.358 ( 0.274 -6.342 0.950) 6.419 14.471 ( 6.239 -10.097 -7.720) 14.159 14.597 ( -0.922 -0.408 -7.348) 7.417 14.805 ( 7.440 -1.658 4.559) 8.882 16.037 ( -7.160 20.219 4.025) 21.824 16.229 ( 0.300 15.456 -0.062) 15.459 17.927 ( -0.726 -0.201 -0.315) 0.816 17.937 ( -0.503 0.472 0.533) 0.872 ======================= Grid point 250 (107/168) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.915 -6.856 -1.912) 7.176 1.383 ( 4.846 -6.087 0.151) 7.782 1.559 ( 8.674 -7.165 1.688) 11.377 1.747 ( 6.247 -5.353 5.838) 10.088 1.903 ( 1.547 -4.677 9.332) 10.552 2.109 ( 4.230 0.301 -3.383) 5.424 2.285 ( -0.512 0.882 -2.258) 2.478 2.465 ( -3.669 1.177 -4.390) 5.841 2.701 ( -1.379 -5.687 -0.886) 5.919 2.788 ( 0.806 -6.190 6.746) 9.191 3.015 ( -0.953 -6.181 -7.412) 9.698 3.117 ( -0.016 1.945 -0.381) 1.982 3.188 ( 0.720 0.248 -6.231) 6.278 3.226 ( 1.727 4.445 -1.349) 4.956 3.382 ( -1.398 -3.436 1.457) 3.985 3.653 ( 2.323 1.265 3.313) 4.240 3.982 ( -3.784 -2.029 1.527) 4.557 4.284 ( -3.375 1.904 0.965) 3.993 4.432 ( 2.194 4.304 0.288) 4.840 4.537 ( -1.571 3.895 0.476) 4.227 4.596 ( 3.566 3.083 -5.665) 7.370 4.744 ( -0.294 -1.190 1.840) 2.211 4.974 ( -1.621 2.113 -1.777) 3.201 5.101 ( 0.175 3.684 0.167) 3.692 5.368 ( -2.017 -1.377 5.004) 5.569 5.426 ( -4.169 1.624 0.681) 4.526 5.584 ( -0.495 2.175 -0.516) 2.289 5.829 ( -1.737 0.946 -2.659) 3.314 5.878 ( 7.803 -1.261 -7.194) 10.688 6.076 ( -2.128 2.580 -0.312) 3.359 6.215 ( -0.044 0.158 -1.961) 1.968 6.319 ( -0.627 0.465 5.683) 5.736 6.559 ( 0.153 0.256 5.013) 5.022 6.881 ( 6.930 2.054 7.508) 10.422 7.258 ( -6.644 2.966 -6.074) 9.478 7.568 ( -0.193 3.158 -0.500) 3.203 8.146 ( -4.525 -0.646 -5.048) 6.809 8.376 ( 1.556 -1.068 -0.352) 1.920 8.455 ( -0.711 -0.262 -0.578) 0.953 8.565 ( 0.979 -0.344 4.572) 4.688 9.138 ( -2.674 -5.808 -0.720) 6.435 9.199 ( -2.783 -5.225 0.978) 6.000 9.297 ( 0.555 -2.609 -1.592) 3.106 9.395 ( 1.895 -4.063 -0.625) 4.527 9.699 ( -2.366 -0.946 5.184) 5.776 9.922 ( 4.880 1.844 -4.081) 6.624 10.017 ( -3.229 5.811 -0.426) 6.661 10.231 ( 4.167 2.987 3.105) 5.994 10.478 ( -5.265 -0.674 -2.861) 6.030 10.525 ( -4.863 0.199 -2.438) 5.444 10.622 ( -1.423 1.593 1.128) 2.415 10.815 ( -0.925 -2.026 -1.015) 2.447 11.025 ( -0.961 -3.163 3.059) 4.504 11.197 ( 5.049 -2.265 0.357) 5.545 11.520 ( -1.867 3.339 -2.458) 4.547 11.931 ( 5.413 3.148 5.283) 8.192 12.337 ( -0.829 -1.563 -2.529) 3.086 12.409 ( 1.664 -2.073 2.491) 3.643 13.033 ( 0.543 0.642 -1.015) 1.318 13.054 ( 0.059 -0.950 0.256) 0.986 13.627 ( -1.147 -1.096 -0.236) 1.604 13.694 ( -0.574 -1.408 1.272) 1.983 13.865 ( -1.637 -1.989 -0.520) 2.628 14.039 ( 4.158 -4.659 4.630) 7.774 14.418 ( -0.919 -1.377 -2.139) 2.705 14.583 ( 0.073 -2.096 -3.631) 4.193 14.614 ( 4.693 -6.548 -11.699) 14.205 14.905 ( 6.170 -1.895 1.538) 6.635 15.683 ( -6.200 16.962 4.156) 18.531 16.040 ( 0.982 8.427 3.627) 9.227 17.923 ( -0.367 0.115 -0.077) 0.392 17.927 ( -0.568 0.293 0.302) 0.707 ======================= Grid point 251 (108/168) ======================= q-point: ( 0.45 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -2.431 -2.524 2.928) 4.566 1.496 ( 4.187 -3.328 -3.503) 6.394 1.715 ( 6.115 -1.956 3.907) 7.516 1.863 ( 1.429 -2.926 0.378) 3.278 2.004 ( 2.274 0.158 7.803) 8.129 2.106 ( 3.550 1.689 1.002) 4.057 2.256 ( -0.051 0.446 -3.861) 3.887 2.394 ( -3.162 0.210 0.108) 3.171 2.738 ( -5.113 -3.045 -3.880) 7.104 2.866 ( -0.364 -1.211 -0.973) 1.595 3.042 ( -1.068 3.853 -1.189) 4.171 3.063 ( -0.748 1.933 -3.695) 4.236 3.085 ( 0.621 1.065 -2.492) 2.781 3.335 ( 4.561 -7.683 1.383) 9.041 3.425 ( -1.205 -1.538 0.325) 1.981 3.637 ( -0.010 2.846 1.364) 3.156 4.042 ( -1.754 -6.063 2.229) 6.693 4.244 ( -0.666 0.736 3.393) 3.535 4.347 ( 0.101 5.654 -2.832) 6.325 4.473 ( -2.873 2.414 2.176) 4.338 4.571 ( 3.698 0.523 -7.131) 8.050 4.770 ( -0.920 -1.240 1.424) 2.100 4.949 ( 0.653 -0.083 -1.176) 1.348 5.048 ( -0.266 2.431 0.337) 2.469 5.364 ( -0.444 1.780 2.926) 3.453 5.429 ( -3.348 -3.259 2.554) 5.325 5.570 ( -1.056 -0.848 2.821) 3.129 5.799 ( -1.291 -0.205 -2.482) 2.805 5.845 ( 5.019 5.716 -8.544) 11.439 6.069 ( -3.079 -2.488 -0.159) 3.962 6.206 ( 2.801 1.526 -1.044) 3.356 6.300 ( -1.233 1.210 2.110) 2.727 6.638 ( 2.805 -3.148 7.197) 8.341 6.952 ( 5.704 0.305 7.398) 9.346 7.141 ( -5.030 1.547 -5.550) 7.648 7.515 ( -0.907 1.629 -2.166) 2.858 8.092 ( -3.165 0.214 -4.387) 5.413 8.388 ( 0.331 0.052 -0.416) 0.534 8.454 ( -0.221 -0.057 0.303) 0.380 8.603 ( 1.714 -0.471 3.203) 3.663 9.150 ( -2.421 -0.254 -2.147) 3.245 9.258 ( 0.136 -2.078 1.426) 2.524 9.322 ( -0.455 -1.183 -1.519) 1.978 9.470 ( 0.822 -2.179 0.589) 2.402 9.730 ( -2.048 -1.474 5.638) 6.177 9.887 ( 1.187 4.100 -1.021) 4.389 9.936 ( 2.447 0.845 -5.156) 5.769 10.258 ( 5.420 0.648 5.083) 7.458 10.422 ( -5.298 0.232 -2.721) 5.960 10.489 ( -3.056 -0.427 -1.343) 3.366 10.595 ( -0.350 0.885 -0.258) 0.986 10.827 ( -0.571 -1.130 -1.888) 2.273 11.071 ( -2.761 -1.963 2.796) 4.392 11.267 ( 3.320 -1.507 0.955) 3.769 11.455 ( -1.911 1.437 -1.778) 2.979 11.944 ( 2.922 1.761 4.230) 5.435 12.337 ( -0.845 -0.469 -1.718) 1.971 12.458 ( 2.035 -0.973 1.032) 2.481 13.022 ( 0.367 0.512 -0.764) 0.991 13.069 ( -0.012 -0.590 0.006) 0.590 13.632 ( -0.697 -0.294 0.363) 0.839 13.710 ( -0.664 -0.563 1.067) 1.377 13.878 ( -1.616 -1.201 -0.178) 2.021 14.144 ( 1.596 -1.559 4.473) 4.999 14.407 ( -1.729 -0.206 0.520) 1.817 14.606 ( 1.312 -0.871 -2.039) 2.576 14.654 ( 1.548 -1.970 -14.226) 14.445 14.970 ( 3.613 -0.880 -1.301) 3.939 15.450 ( -2.454 7.103 4.438) 8.727 15.982 ( 0.457 2.067 4.693) 5.148 17.918 ( -0.104 0.164 0.074) 0.208 17.924 ( -0.178 0.021 0.056) 0.188 ======================= Grid point 252 (109/168) ======================= q-point: (-0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -2.559 3.818 3.537) 5.800 1.514 ( 3.219 2.339 -4.452) 5.971 1.718 ( 1.247 7.011 2.697) 7.615 1.900 ( -1.779 -2.340 -2.313) 3.740 2.006 ( 0.903 3.520 5.489) 6.583 2.124 ( -1.076 0.385 -0.684) 1.332 2.225 ( 0.838 0.402 2.045) 2.247 2.447 ( 0.581 -5.338 0.206) 5.374 2.697 ( -4.225 -0.205 -7.274) 8.414 2.831 ( 0.097 2.131 1.279) 2.487 2.949 ( 0.522 8.184 4.410) 9.311 3.028 ( 0.229 -1.428 0.703) 1.608 3.136 ( 1.062 -4.750 -3.976) 6.285 3.354 ( -5.312 6.059 0.406) 8.068 3.444 ( -0.149 -0.386 -1.134) 1.207 3.644 ( 2.804 -2.995 0.121) 4.105 4.101 ( 0.088 1.069 -2.820) 3.017 4.278 ( 0.942 0.402 0.712) 1.248 4.294 ( -0.384 -5.338 2.854) 6.066 4.439 ( -3.864 -0.473 3.418) 5.181 4.562 ( 2.719 -0.506 -5.852) 6.473 4.782 ( -0.794 -0.500 0.290) 0.982 4.939 ( -0.218 1.490 -0.129) 1.512 5.042 ( 0.508 -1.550 0.625) 1.747 5.374 ( 2.310 0.121 3.552) 4.239 5.445 ( -0.657 -1.053 -2.959) 3.209 5.623 ( -1.629 -2.655 8.033) 8.616 5.745 ( 1.606 3.385 -8.113) 8.937 5.793 ( -1.099 -0.938 -0.652) 1.585 6.068 ( -1.003 0.585 -0.032) 1.162 6.165 ( -3.760 1.842 2.266) 4.761 6.335 ( 4.084 -2.364 -0.870) 4.799 6.717 ( 0.578 -0.713 1.446) 1.712 7.006 ( 2.942 0.197 2.226) 3.694 7.107 ( -0.151 -2.339 -1.878) 3.003 7.492 ( -0.381 -0.976 -1.295) 1.666 8.061 ( -0.158 0.091 -1.653) 1.663 8.383 ( -0.643 0.254 0.044) 0.692 8.452 ( 0.036 0.509 0.569) 0.764 8.630 ( 0.956 -0.164 0.758) 1.231 9.123 ( 0.449 1.557 0.236) 1.638 9.271 ( 0.358 1.441 0.089) 1.488 9.323 ( 0.459 0.167 -1.467) 1.546 9.461 ( -0.950 3.627 1.594) 4.074 9.772 ( -1.947 -2.467 4.571) 5.547 9.826 ( 0.878 3.556 -0.086) 3.664 9.953 ( 5.520 -1.663 -5.226) 7.781 10.333 ( 5.224 -1.285 5.165) 7.458 10.372 ( -4.751 -0.921 -3.872) 6.198 10.471 ( -0.949 0.309 -0.744) 1.245 10.589 ( 0.361 -0.408 0.290) 0.617 10.832 ( 0.738 -0.493 -2.152) 2.328 11.071 ( -4.256 0.198 2.648) 5.016 11.285 ( -0.278 1.644 -0.134) 1.673 11.437 ( -1.079 -1.792 -0.366) 2.124 11.962 ( 0.559 -0.477 2.594) 2.696 12.323 ( -0.940 0.698 -0.545) 1.291 12.481 ( 2.187 0.338 -0.837) 2.366 13.016 ( 0.334 0.184 -0.308) 0.490 13.073 ( -0.154 -0.049 -0.347) 0.383 13.629 ( -0.129 0.628 0.630) 0.899 13.714 ( -0.367 0.137 0.738) 0.835 13.876 ( -0.868 0.246 0.130) 0.911 14.150 ( -2.384 2.052 3.208) 4.493 14.411 ( -0.985 1.012 6.160) 6.320 14.558 ( -5.101 3.350 -10.208) 11.893 14.608 ( 4.367 2.206 -3.682) 6.123 14.980 ( -2.061 -0.652 -1.465) 2.611 15.485 ( 4.274 -8.129 1.029) 9.241 16.002 ( -0.311 -1.960 2.887) 3.503 17.919 ( 0.315 -0.187 -0.063) 0.372 17.924 ( 0.222 -0.031 0.069) 0.235 ======================= Grid point 253 (110/168) ======================= q-point: (-0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -2.362 10.068 2.526) 10.646 1.437 ( 1.681 6.732 -2.623) 7.418 1.560 ( -3.637 10.570 0.234) 11.181 1.843 ( -5.982 4.085 -3.328) 7.972 1.985 ( 1.261 3.326 4.820) 5.990 2.034 ( -5.685 5.515 2.773) 8.392 2.315 ( 3.002 -4.723 4.051) 6.908 2.451 ( -7.644 -2.216 -13.748) 15.886 2.681 ( 3.568 2.735 1.530) 4.748 2.829 ( 3.765 3.678 4.066) 6.651 2.853 ( -0.189 4.211 6.805) 8.005 3.070 ( -0.381 -1.319 0.479) 1.454 3.147 ( -4.310 5.760 -0.850) 7.244 3.231 ( -0.137 -4.294 -1.312) 4.492 3.414 ( 0.059 2.751 -1.293) 3.040 3.698 ( 0.173 -1.394 -1.282) 1.902 4.051 ( 1.828 0.823 -4.576) 4.996 4.278 ( -0.286 1.711 2.172) 2.780 4.425 ( -1.418 -7.320 2.379) 7.827 4.487 ( -1.225 -6.470 2.164) 6.931 4.578 ( 2.162 -1.267 -2.790) 3.750 4.781 ( -0.912 -0.728 -1.470) 1.877 4.933 ( 0.797 -1.001 1.894) 2.286 5.086 ( -0.579 -2.403 1.350) 2.817 5.398 ( 4.300 2.384 2.093) 5.344 5.460 ( 1.433 -2.329 -3.540) 4.474 5.661 ( 1.725 -0.393 -2.830) 3.338 5.698 ( -4.509 0.593 4.666) 6.515 5.812 ( -1.029 -2.573 0.172) 2.776 6.058 ( 0.995 -1.065 0.884) 1.704 6.151 ( -2.247 -0.796 3.547) 4.274 6.394 ( 2.586 -1.858 -1.742) 3.630 6.686 ( -2.168 1.212 -4.780) 5.387 7.016 ( -0.608 -0.042 -2.755) 2.822 7.172 ( 3.308 -3.637 0.845) 4.989 7.536 ( 1.054 -3.502 1.254) 3.866 8.071 ( 2.402 -0.101 1.464) 2.814 8.366 ( -1.660 0.983 0.486) 1.990 8.445 ( 0.635 0.861 0.550) 1.203 8.632 ( 0.282 0.149 -1.565) 1.597 9.106 ( 3.560 3.704 1.998) 5.512 9.206 ( 0.724 6.930 0.142) 6.969 9.299 ( 0.166 2.509 -1.679) 3.024 9.385 ( -1.165 3.617 0.820) 3.887 9.778 ( 1.431 2.639 -0.956) 3.150 9.822 ( -2.146 -2.734 3.935) 5.250 10.030 ( 7.080 -3.818 -2.855) 8.536 10.343 ( -3.623 -2.184 -5.336) 6.809 10.425 ( 4.836 -1.934 4.927) 7.170 10.450 ( 0.640 1.921 0.283) 2.045 10.621 ( 1.267 -2.025 0.908) 2.555 10.830 ( 1.176 0.765 -1.987) 2.433 11.026 ( -5.320 1.915 2.689) 6.260 11.224 ( -3.010 2.731 -1.475) 4.324 11.486 ( -0.291 -4.231 0.716) 4.301 11.987 ( -2.118 -2.058 0.388) 2.979 12.295 ( -0.957 1.779 0.860) 2.195 12.474 ( 2.192 1.423 -2.846) 3.864 13.017 ( 0.120 -0.077 0.228) 0.269 13.065 ( -0.283 0.498 -0.623) 0.847 13.614 ( 0.284 1.578 0.846) 1.813 13.705 ( -0.228 1.067 0.321) 1.138 13.857 ( -0.217 1.574 0.333) 1.624 14.079 ( -4.387 4.574 2.114) 6.681 14.391 ( -4.310 5.162 5.575) 8.735 14.416 ( 0.332 3.624 -2.126) 4.214 14.578 ( 1.323 2.286 -2.578) 3.690 14.953 ( -6.970 -1.479 -2.233) 7.467 15.749 ( 7.989 -16.254 -1.866) 18.207 16.069 ( -1.203 -5.759 1.237) 6.012 17.922 ( 0.266 0.113 0.082) 0.300 17.934 ( 0.978 -0.662 -0.316) 1.223 ======================= Grid point 254 (111/168) ======================= q-point: (-0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.795 12.745 4.955) 13.957 1.280 ( -3.808 12.732 3.171) 13.663 1.341 ( -3.420 8.638 -4.088) 10.150 1.668 ( -8.703 7.505 -1.737) 11.622 1.896 ( -6.186 8.198 7.664) 12.814 1.919 ( -2.614 4.795 -5.102) 7.474 2.284 ( -7.880 9.397 5.176) 13.311 2.440 ( -1.953 -4.234 -9.036) 10.168 2.604 ( -0.526 3.006 -1.029) 3.220 2.747 ( 3.731 9.101 3.019) 10.289 2.841 ( 2.696 2.394 -0.253) 3.614 3.051 ( 0.562 2.144 4.530) 5.043 3.143 ( 1.626 -3.083 1.695) 3.875 3.315 ( 0.393 -4.169 1.039) 4.314 3.403 ( 1.790 -2.504 -0.959) 3.224 3.693 ( -2.257 -0.979 -3.566) 4.332 4.081 ( 3.924 -3.468 -3.883) 6.520 4.240 ( -2.686 2.391 2.992) 4.678 4.524 ( -0.716 -4.088 1.974) 4.595 4.601 ( -0.073 -1.301 -0.197) 1.318 4.615 ( 0.887 -6.099 0.020) 6.163 4.788 ( -0.872 -2.662 -3.284) 4.316 5.014 ( 2.718 -5.345 2.705) 6.578 5.122 ( -2.034 -2.279 2.790) 4.137 5.387 ( 4.700 3.306 -0.112) 5.747 5.495 ( 1.372 -2.058 -1.766) 3.039 5.631 ( -5.149 4.130 3.548) 7.494 5.701 ( 0.027 -4.419 -2.448) 5.052 5.880 ( 0.502 -4.655 2.015) 5.098 6.150 ( 2.195 -6.395 3.636) 7.677 6.167 ( 2.045 0.406 2.070) 2.938 6.411 ( 0.180 -0.400 -4.108) 4.131 6.646 ( -1.164 -1.353 -3.630) 4.046 6.984 ( -3.978 -1.617 -5.716) 7.149 7.269 ( 4.322 -2.481 4.089) 6.446 7.621 ( 1.411 -4.330 1.453) 4.781 8.100 ( 2.426 0.764 2.697) 3.707 8.323 ( -2.229 2.591 0.529) 3.459 8.443 ( 1.561 0.683 0.511) 1.779 8.618 ( 0.505 0.607 -2.943) 3.047 8.985 ( 1.174 13.925 1.210) 14.027 9.124 ( 6.496 6.247 0.417) 9.022 9.226 ( -2.823 3.464 -1.409) 4.686 9.338 ( 0.106 2.045 -0.925) 2.247 9.758 ( 2.719 0.652 -1.106) 3.007 9.865 ( -2.921 -2.824 2.328) 4.683 10.164 ( 7.590 -5.918 0.108) 9.625 10.339 ( -1.747 -2.922 -5.607) 6.560 10.425 ( 3.043 3.338 2.668) 5.246 10.518 ( 4.050 -2.183 4.244) 6.259 10.671 ( 2.796 -1.087 0.226) 3.009 10.800 ( -0.665 1.726 -1.231) 2.222 10.955 ( -6.224 2.416 2.827) 7.250 11.146 ( -5.004 1.939 -2.017) 5.733 11.584 ( 1.432 -6.621 0.568) 6.797 11.992 ( -4.815 -2.034 -2.083) 5.626 12.259 ( -0.875 2.362 2.328) 3.430 12.442 ( 1.833 2.115 -4.715) 5.483 13.020 ( -0.439 -0.050 0.761) 0.880 13.048 ( -0.408 0.740 -0.750) 1.130 13.588 ( 0.271 2.361 1.138) 2.635 13.673 ( -0.841 2.443 -0.184) 2.590 13.826 ( -0.377 2.079 0.905) 2.299 13.964 ( -3.695 4.835 -0.742) 6.131 14.253 ( -3.338 8.891 5.552) 11.001 14.393 ( 1.254 2.775 3.423) 4.582 14.529 ( 0.012 2.719 -2.223) 3.512 14.901 ( -8.834 -1.632 -3.969) 9.821 16.105 ( 8.546 -18.354 -2.155) 20.360 16.206 ( -1.775 -11.605 2.247) 11.953 17.922 ( 0.412 0.303 0.199) 0.549 17.953 ( 1.189 -0.774 -0.879) 1.669 ======================= Grid point 255 (112/168) ======================= q-point: (-0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -2.713 8.740 12.242) 15.285 1.007 ( -8.259 13.977 6.465) 17.474 1.184 ( -0.947 7.479 -0.625) 7.565 1.458 ( -10.027 7.426 -0.844) 12.506 1.718 ( -7.171 11.536 7.588) 15.559 1.746 ( -6.550 6.743 -5.885) 11.091 1.985 ( -11.446 15.266 -0.667) 19.092 2.423 ( -1.712 -1.345 -6.578) 6.929 2.630 ( 2.334 -1.947 4.382) 5.333 2.665 ( 2.840 3.189 -5.103) 6.653 2.807 ( 5.313 5.287 3.440) 8.247 3.062 ( 2.097 0.702 4.924) 5.398 3.226 ( 4.722 -2.240 2.020) 5.604 3.396 ( 1.067 -3.736 0.323) 3.899 3.477 ( -0.942 -6.315 -3.347) 7.209 3.667 ( -3.148 -0.847 -7.049) 7.766 4.162 ( 4.360 -3.117 -3.041) 6.162 4.214 ( -3.651 -1.960 3.376) 5.345 4.564 ( 0.494 0.011 1.539) 1.617 4.604 ( -1.399 0.650 1.427) 2.102 4.690 ( -1.250 -2.715 1.709) 3.443 4.824 ( 0.313 -3.179 -3.687) 4.879 5.150 ( 3.950 -4.723 0.088) 6.158 5.176 ( -1.420 -5.276 2.999) 6.233 5.364 ( 3.530 3.432 0.772) 4.983 5.510 ( -6.210 2.637 1.593) 6.932 5.576 ( 3.241 -3.200 0.167) 4.558 5.764 ( -3.021 -4.981 -2.498) 6.339 5.949 ( -0.374 -0.679 3.843) 3.920 6.178 ( 2.336 1.124 0.457) 2.632 6.327 ( 2.728 -8.326 -0.307) 8.767 6.396 ( 1.889 -1.063 -3.442) 4.068 6.698 ( 1.552 -6.417 1.158) 6.703 6.992 ( -4.568 -6.654 -3.262) 8.706 7.366 ( 5.164 -1.908 7.789) 9.538 7.712 ( 0.821 -4.689 0.689) 4.810 8.089 ( 0.661 3.337 1.184) 3.602 8.256 ( -2.540 2.984 -0.337) 3.933 8.446 ( 2.486 1.284 0.540) 2.850 8.589 ( 0.379 1.595 -3.410) 3.783 8.739 ( 1.356 16.224 2.396) 16.455 8.987 ( 3.411 13.469 -7.769) 15.919 9.175 ( -0.230 1.386 3.141) 3.440 9.300 ( -0.105 1.773 -1.190) 2.138 9.798 ( 4.875 -2.459 -1.301) 5.613 9.894 ( -3.473 -2.828 0.925) 4.574 10.323 ( 0.084 -5.159 0.739) 5.212 10.372 ( 3.738 -5.177 -4.627) 7.886 10.421 ( 8.900 3.590 5.597) 11.110 10.600 ( 3.960 -1.509 3.913) 5.769 10.675 ( 3.092 3.461 0.149) 4.643 10.792 ( -0.798 -2.468 -0.285) 2.610 10.883 ( -6.476 1.757 3.190) 7.429 11.043 ( -8.958 2.847 -2.817) 9.813 11.733 ( 3.873 -7.986 -0.592) 8.895 11.963 ( -5.828 -1.297 -3.560) 6.951 12.226 ( -1.010 2.142 3.075) 3.881 12.385 ( 0.832 3.009 -5.717) 6.514 13.015 ( -0.931 0.571 0.811) 1.360 13.031 ( -0.844 0.182 -0.375) 0.942 13.548 ( -0.408 2.915 1.162) 3.165 13.604 ( -2.248 3.862 -0.668) 4.518 13.793 ( -0.827 1.784 1.667) 2.578 13.869 ( -1.331 3.226 -2.067) 4.056 14.099 ( -2.402 9.432 6.295) 11.591 14.323 ( 2.365 8.499 -3.919) 9.653 14.487 ( -1.523 1.034 4.076) 4.473 14.837 ( -7.921 -1.432 -5.722) 9.876 16.449 ( 1.153 -18.117 4.852) 18.791 16.482 ( 5.445 -17.125 -0.438) 17.975 17.921 ( 0.561 0.422 0.380) 0.798 17.965 ( 0.879 -0.093 -1.503) 1.744 ======================= Grid point 256 (113/168) ======================= q-point: (-0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.360 6.844 13.469) 15.113 0.858 ( -3.000 1.723 20.232) 20.526 1.076 ( 0.313 4.752 2.396) 5.331 1.272 ( -9.046 4.723 -0.378) 10.211 1.480 ( -9.945 9.772 -0.633) 13.957 1.568 ( -6.194 7.955 9.780) 14.047 1.689 ( -4.712 8.353 -6.646) 11.669 2.351 ( -4.462 1.164 -15.737) 16.399 2.622 ( 6.110 2.407 -4.216) 7.804 2.724 ( -3.178 -3.809 -1.841) 5.291 2.831 ( 9.233 -0.149 12.239) 15.332 3.077 ( 3.815 2.951 4.669) 6.713 3.321 ( 5.363 -2.421 4.197) 7.227 3.437 ( -1.469 -3.189 -5.822) 6.798 3.559 ( -4.461 -5.713 -4.623) 8.598 3.584 ( -1.769 2.383 -10.693) 11.097 4.235 ( 0.249 -4.616 2.996) 5.509 4.278 ( 0.795 -4.190 -0.201) 4.270 4.555 ( -1.064 2.259 2.441) 3.492 4.575 ( 0.234 1.806 0.702) 1.951 4.724 ( -1.440 -1.192 4.049) 4.459 4.849 ( 0.867 -1.073 -3.317) 3.592 5.219 ( 4.253 -1.036 0.797) 4.449 5.274 ( 0.604 -2.705 0.533) 2.822 5.342 ( 0.727 1.243 -0.015) 1.441 5.406 ( -6.722 1.876 -1.412) 7.120 5.710 ( 2.390 -7.196 1.872) 7.810 5.795 ( -1.943 -2.618 -1.066) 3.430 5.934 ( -0.060 3.743 4.018) 5.491 6.138 ( -2.587 2.068 -4.980) 5.981 6.406 ( 2.343 -2.148 -0.926) 3.311 6.453 ( -0.088 -2.564 -2.279) 3.432 6.927 ( 6.273 -13.012 3.485) 14.859 7.085 ( -3.726 -7.397 -0.962) 8.337 7.524 ( 6.492 -6.768 10.624) 14.171 7.801 ( -0.446 -5.739 -0.798) 5.811 8.022 ( 1.496 4.977 0.287) 5.205 8.183 ( -3.719 1.751 -2.452) 4.786 8.432 ( 3.728 4.343 0.131) 5.725 8.477 ( -0.509 12.092 1.674) 12.218 8.571 ( 1.985 3.163 -2.019) 4.245 8.689 ( -3.503 15.278 -5.287) 16.542 9.183 ( 3.013 0.712 2.411) 3.924 9.268 ( -0.819 0.957 -1.175) 1.723 9.890 ( 5.109 -3.491 -1.726) 6.424 9.916 ( -2.546 -2.370 -0.100) 3.480 10.349 ( 0.809 -0.435 0.960) 1.329 10.437 ( 2.344 -2.559 -1.799) 3.909 10.561 ( 11.518 -3.023 1.913) 12.061 10.639 ( -0.761 2.152 2.354) 3.279 10.667 ( 4.222 -0.605 2.562) 4.976 10.814 ( -8.245 0.917 2.900) 8.788 10.845 ( 1.229 -0.614 -0.886) 1.635 10.899 ( -7.863 1.916 -0.788) 8.131 11.879 ( 3.025 -5.607 -2.119) 6.714 11.923 ( -3.636 -0.881 -3.208) 4.928 12.208 ( -0.491 0.408 2.447) 2.529 12.304 ( -0.048 3.803 -4.209) 5.673 13.000 ( -0.605 0.646 0.523) 1.028 13.021 ( -1.489 -0.008 0.063) 1.491 13.496 ( -1.272 2.706 0.527) 3.036 13.509 ( -2.370 4.438 -0.194) 5.035 13.772 ( -1.183 0.854 2.086) 2.546 13.811 ( 0.701 2.142 -1.864) 2.924 13.982 ( -0.801 5.243 4.130) 6.722 14.129 ( -0.087 10.456 -5.647) 11.884 14.503 ( -0.763 -0.077 8.030) 8.066 14.776 ( -4.927 -0.886 -6.985) 8.594 16.773 ( 5.324 -11.144 0.696) 12.370 16.803 ( 0.517 -17.918 2.828) 18.147 17.921 ( 0.651 0.350 0.527) 0.908 17.953 ( 0.034 1.057 -1.223) 1.617 ======================= Grid point 258 (114/168) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.230 0.000 -10.661) 10.732 0.997 ( 5.804 0.000 9.920) 11.493 1.160 ( 4.090 0.000 -10.696) 11.451 1.280 ( 10.295 0.000 18.432) 21.112 1.413 ( 7.956 0.000 -11.219) 13.754 1.463 ( 16.148 0.000 13.945) 21.336 1.909 ( -0.991 -0.000 -25.110) 25.129 2.044 ( 11.618 0.000 24.797) 27.383 2.547 ( -6.992 -0.000 -4.036) 8.073 2.706 ( 1.424 0.000 0.500) 1.509 3.062 ( -1.161 -0.000 -12.556) 12.610 3.090 ( -2.710 -0.000 -3.525) 4.447 3.334 ( -5.255 -0.000 0.635) 5.293 3.335 ( -3.854 -0.000 5.771) 6.939 3.481 ( 1.092 0.000 -0.223) 1.114 3.525 ( 1.287 0.000 6.494) 6.620 4.294 ( -0.278 -0.000 0.191) 0.338 4.366 ( 1.639 0.000 -2.572) 3.049 4.505 ( -2.739 -0.000 2.061) 3.428 4.610 ( 4.196 0.000 -1.701) 4.528 4.774 ( -1.920 -0.000 5.343) 5.678 4.818 ( 0.996 0.000 -4.122) 4.240 5.187 ( -4.184 -0.000 -1.638) 4.493 5.277 ( -3.385 -0.000 3.571) 4.920 5.343 ( 0.450 0.000 -3.315) 3.346 5.438 ( 9.651 0.000 1.496) 9.767 5.750 ( -5.084 -0.000 1.972) 5.453 5.813 ( -2.721 -0.000 0.418) 2.753 5.967 ( -0.273 -0.000 -6.203) 6.209 6.033 ( 4.275 0.000 8.070) 9.132 6.409 ( -3.217 -0.000 1.765) 3.669 6.441 ( -1.031 -0.000 -1.857) 2.124 7.090 ( -3.310 -0.000 -1.518) 3.642 7.099 ( -3.321 -0.000 0.166) 3.325 7.705 ( -5.367 -0.000 -7.202) 8.982 7.835 ( 4.728 0.000 7.074) 8.509 7.952 ( -8.485 -0.000 -5.694) 10.219 8.147 ( 3.540 0.000 4.686) 5.873 8.332 ( -1.594 -0.000 -1.383) 2.110 8.365 ( -0.816 -0.000 0.861) 1.186 8.510 ( -0.193 -0.000 1.776) 1.786 8.557 ( 0.241 0.000 0.699) 0.740 9.204 ( -0.901 -0.000 -2.469) 2.628 9.281 ( 4.187 0.000 -1.192) 4.354 9.865 ( -4.624 -0.000 1.531) 4.871 9.936 ( -1.234 -0.000 -1.360) 1.836 10.346 ( -7.557 -0.000 -1.766) 7.760 10.376 ( -4.152 -0.000 1.821) 4.534 10.578 ( -5.862 -0.000 -2.483) 6.366 10.649 ( 1.313 0.000 0.746) 1.510 10.695 ( 0.084 0.000 -3.456) 3.457 10.785 ( -4.002 -0.000 3.000) 5.002 10.892 ( 8.057 0.000 1.568) 8.208 10.939 ( 5.325 0.000 -0.619) 5.361 11.871 ( -3.396 -0.000 -0.756) 3.479 11.931 ( 3.458 0.000 1.250) 3.677 12.233 ( 0.330 0.000 -1.475) 1.511 12.241 ( 2.211 0.000 1.759) 2.825 13.006 ( 0.651 0.000 -0.243) 0.695 13.043 ( 2.501 0.000 -0.436) 2.539 13.483 ( 2.704 0.000 -0.021) 2.704 13.530 ( 7.335 0.000 -0.841) 7.383 13.744 ( -0.798 -0.000 2.301) 2.435 13.805 ( -0.647 -0.000 -1.672) 1.793 13.981 ( 0.234 0.000 -2.410) 2.421 14.005 ( 4.225 0.000 2.961) 5.159 14.665 ( 3.085 0.000 -9.492) 9.981 14.701 ( 7.421 0.000 8.696) 11.432 16.849 ( -8.824 -0.000 -1.914) 9.029 16.913 ( -4.500 -0.000 2.664) 5.229 17.917 ( -1.072 -0.000 -0.388) 1.140 17.936 ( 0.198 0.000 0.387) 0.435 ======================= Grid point 259 (115/168) ======================= q-point: ( 0.18 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 8.299 -4.802 -7.978) 12.474 1.094 ( 5.693 -2.146 4.328) 7.467 1.156 ( 8.125 -0.664 -13.146) 15.469 1.429 ( 12.396 -0.455 8.369) 14.963 1.505 ( 8.810 -4.007 7.291) 12.117 1.739 ( 16.979 -7.994 9.467) 21.020 1.897 ( 2.574 -10.321 -18.076) 20.973 2.249 ( 7.071 -2.254 15.248) 16.958 2.494 ( -6.452 -1.717 -0.055) 6.676 2.725 ( -1.454 -2.554 -1.554) 3.324 2.919 ( -1.770 4.834 -15.119) 15.971 3.068 ( -3.893 -2.291 -3.527) 5.731 3.256 ( -3.945 2.695 0.310) 4.788 3.369 ( -3.715 -1.866 2.201) 4.704 3.511 ( 0.715 2.812 4.221) 5.122 3.555 ( 2.529 -1.820 7.490) 8.112 4.200 ( -0.928 8.238 1.229) 8.381 4.339 ( 0.993 2.769 -3.671) 4.704 4.531 ( -1.258 -2.980 1.227) 3.459 4.639 ( 2.748 -0.206 -1.617) 3.196 4.769 ( -2.167 1.710 4.236) 5.056 4.802 ( 2.086 1.147 -2.408) 3.386 5.156 ( -2.626 0.201 -1.594) 3.078 5.255 ( -4.428 1.346 2.818) 5.418 5.324 ( 0.340 0.621 -2.052) 2.171 5.534 ( 8.225 -2.685 -0.123) 8.653 5.645 ( -4.780 5.450 -0.115) 7.250 5.819 ( -0.256 0.144 1.250) 1.284 5.979 ( -0.002 -3.720 -3.958) 5.432 6.088 ( 0.156 1.035 6.920) 6.999 6.344 ( -2.493 3.388 1.797) 4.574 6.418 ( -3.411 2.564 -0.640) 4.315 6.857 ( -5.358 12.645 -1.697) 13.838 7.106 ( 0.520 3.772 1.322) 4.030 7.534 ( -7.132 6.254 -9.813) 13.648 7.796 ( -0.577 4.849 -0.223) 4.888 7.994 ( -0.783 -6.493 1.584) 6.729 8.207 ( 2.885 -2.723 3.050) 5.004 8.395 ( -1.670 -3.956 -0.807) 4.370 8.479 ( -3.532 -13.244 -0.088) 13.707 8.515 ( -0.129 -1.693 1.098) 2.022 8.656 ( -0.987 -10.169 2.926) 10.627 9.200 ( 0.273 -1.136 -2.253) 2.538 9.307 ( 3.809 -0.095 -1.741) 4.189 9.786 ( -4.813 4.059 1.778) 6.543 9.943 ( -0.528 -1.570 -1.781) 2.433 10.286 ( -6.745 0.036 1.388) 6.886 10.369 ( -6.246 -2.529 -1.591) 6.924 10.464 ( -2.923 5.351 -2.830) 6.722 10.624 ( -6.943 0.079 -2.031) 7.235 10.656 ( -1.798 1.576 -1.326) 2.734 10.789 ( -0.081 0.008 2.503) 2.505 10.965 ( 7.074 0.301 0.078) 7.081 11.003 ( 6.280 -2.189 2.531) 7.116 11.800 ( -3.235 3.991 -1.813) 5.448 11.982 ( 7.147 0.516 3.026) 7.778 12.242 ( 0.845 -1.263 -0.918) 1.775 12.287 ( 4.167 -0.724 3.083) 5.234 13.010 ( 0.021 -0.216 0.240) 0.323 13.051 ( 0.814 0.200 -1.172) 1.440 13.520 ( 1.214 -2.247 -0.804) 2.678 13.597 ( 6.268 -0.811 0.003) 6.320 13.779 ( 1.513 -1.741 1.830) 2.944 13.801 ( -0.946 -1.620 -0.444) 1.927 14.043 ( 0.509 -8.264 -4.141) 9.257 14.127 ( 5.939 -7.586 3.089) 10.117 14.632 ( 2.435 1.143 -9.898) 10.257 14.805 ( 9.265 0.630 8.896) 12.860 16.653 ( -9.558 12.440 -0.445) 15.695 16.771 ( -4.717 12.245 0.307) 13.126 17.912 ( -1.177 -0.545 -0.410) 1.360 17.942 ( -0.212 -0.251 0.468) 0.571 ======================= Grid point 260 (116/168) ======================= q-point: ( 0.27 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 9.524 -2.991 -9.586) 13.840 1.206 ( 5.255 -4.264 1.398) 6.910 1.255 ( 11.669 -8.096 -7.024) 15.844 1.591 ( 10.882 -3.395 5.701) 12.745 1.706 ( 8.289 -5.039 13.397) 16.540 1.956 ( 6.049 -7.908 -8.829) 13.307 2.159 ( 10.881 -14.016 3.732) 18.132 2.350 ( 0.394 -0.522 7.172) 7.201 2.511 ( -5.400 -5.335 3.568) 8.387 2.717 ( 0.241 3.420 -5.291) 6.305 2.809 ( -5.042 -4.933 -10.960) 13.034 3.081 ( -1.540 -3.547 -3.434) 5.172 3.197 ( -0.048 2.113 -1.073) 2.370 3.354 ( -2.814 1.180 0.874) 3.174 3.452 ( -0.487 4.799 0.780) 4.886 3.652 ( 3.350 -1.440 6.294) 7.274 4.065 ( -2.443 6.660 3.078) 7.733 4.282 ( -0.853 1.295 -3.185) 3.542 4.565 ( 1.115 0.243 1.351) 1.768 4.632 ( -0.042 1.319 -1.607) 2.079 4.718 ( -1.771 3.678 1.388) 4.311 4.790 ( 3.102 2.516 1.092) 4.141 5.100 ( -2.404 3.993 -0.393) 4.677 5.196 ( -3.206 1.421 -1.443) 3.792 5.317 ( -1.454 -0.551 0.088) 1.557 5.527 ( -2.156 4.254 -0.819) 4.839 5.658 ( 5.974 -5.834 -3.554) 9.075 5.773 ( 1.146 7.118 2.867) 7.759 6.006 ( 0.709 0.826 -4.516) 4.645 6.084 ( -5.708 -2.222 3.305) 6.960 6.258 ( -8.479 5.432 -2.157) 10.298 6.336 ( 3.658 2.238 6.777) 8.020 6.672 ( -2.009 5.704 -0.071) 6.048 7.030 ( 3.326 6.177 2.173) 7.345 7.359 ( -6.763 3.353 -7.272) 10.481 7.705 ( -1.341 4.505 -1.220) 4.857 8.086 ( -0.556 -3.488 -0.058) 3.532 8.293 ( 2.767 -3.390 0.760) 4.442 8.423 ( -1.550 -1.926 -1.265) 2.777 8.530 ( -1.884 -1.760 3.603) 4.431 8.735 ( -1.333 -16.306 -1.144) 16.400 8.856 ( -4.437 -12.888 3.504) 14.074 9.224 ( 1.486 -1.836 -1.614) 2.861 9.330 ( 3.066 -0.452 -1.517) 3.450 9.706 ( -3.817 2.133 2.120) 4.859 9.948 ( 0.570 -0.323 -3.108) 3.176 10.196 ( -11.280 3.320 -0.361) 11.764 10.329 ( -1.269 1.488 -0.111) 1.959 10.408 ( -0.845 -1.212 -2.177) 2.631 10.561 ( -6.814 -0.316 -2.467) 7.254 10.624 ( -1.971 0.011 0.945) 2.186 10.791 ( 0.912 0.943 0.966) 1.629 10.990 ( 2.204 1.386 3.163) 4.096 11.110 ( 6.207 -2.955 1.260) 6.989 11.686 ( -1.767 5.646 -2.257) 6.332 12.038 ( 7.990 2.037 2.951) 8.758 12.273 ( 1.018 -1.860 -1.591) 2.651 12.349 ( 4.027 -0.626 3.847) 5.605 13.017 ( -1.159 -0.808 0.613) 1.540 13.043 ( -0.112 0.082 -1.635) 1.641 13.559 ( -0.608 -2.497 -1.111) 2.799 13.650 ( 3.272 -0.740 1.283) 3.592 13.799 ( -1.238 -1.613 -1.189) 2.356 13.875 ( 3.416 -3.986 2.942) 6.018 14.191 ( 0.168 -10.359 -4.938) 11.477 14.353 ( 8.335 -10.074 0.844) 13.102 14.573 ( 0.404 1.701 -8.583) 8.759 14.904 ( 9.520 1.335 8.512) 12.839 16.318 ( -8.730 17.828 0.734) 19.864 16.487 ( -2.326 15.993 -1.432) 16.225 17.911 ( -1.078 -0.632 -0.226) 1.270 17.941 ( -0.702 0.189 0.488) 0.876 ======================= Grid point 261 (117/168) ======================= q-point: ( 0.36 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 6.339 -5.218 -6.098) 10.227 1.331 ( 5.323 -5.288 -0.366) 7.512 1.473 ( 9.318 -9.329 -4.163) 13.828 1.757 ( 9.026 -3.240 6.772) 11.740 1.902 ( 5.717 -4.568 8.948) 11.559 2.071 ( 4.120 -5.481 -6.715) 9.597 2.350 ( 1.732 2.753 7.853) 8.500 2.402 ( -1.789 -4.572 -2.817) 5.660 2.610 ( -0.569 -2.288 -1.723) 2.920 2.699 ( 0.729 -8.327 7.020) 10.916 2.832 ( -5.077 -7.269 -9.355) 12.889 3.115 ( 0.967 -2.586 -6.054) 6.653 3.171 ( 1.758 1.460 -1.386) 2.672 3.320 ( 1.625 2.694 -0.076) 3.147 3.356 ( -2.792 3.180 0.247) 4.239 3.700 ( 2.012 0.588 2.290) 3.105 3.978 ( -2.804 2.987 4.009) 5.732 4.258 ( -2.947 -0.957 -1.037) 3.268 4.532 ( -0.670 4.561 1.930) 4.998 4.593 ( 0.936 3.329 -0.121) 3.460 4.649 ( 0.075 2.888 -2.764) 3.999 4.772 ( 2.474 2.962 2.122) 4.404 4.997 ( -2.748 3.889 -1.638) 5.036 5.149 ( -0.847 1.898 -1.564) 2.601 5.322 ( -2.810 -1.972 1.583) 3.781 5.454 ( -1.434 3.038 -0.048) 3.360 5.656 ( -0.012 6.520 2.210) 6.885 5.781 ( 2.683 -4.684 -4.558) 7.065 5.915 ( 2.228 4.842 -3.087) 6.160 6.087 ( -4.588 0.573 -0.321) 4.635 6.174 ( -2.832 -2.658 -1.949) 4.345 6.377 ( 3.267 1.616 5.658) 6.731 6.601 ( -0.655 2.066 4.040) 4.584 7.000 ( 4.315 2.798 3.761) 6.371 7.227 ( -6.706 3.019 -4.204) 8.471 7.614 ( -1.920 3.913 -1.807) 4.718 8.094 ( -2.006 -0.001 -2.538) 3.235 8.366 ( 2.569 -2.205 -0.187) 3.391 8.432 ( -0.797 -1.158 -1.054) 1.757 8.566 ( -1.272 -1.811 3.714) 4.323 8.969 ( -1.793 -11.963 -0.584) 12.111 9.039 ( -3.099 -11.270 1.185) 11.749 9.263 ( 1.650 -1.801 -0.652) 2.528 9.361 ( 2.238 -1.566 -0.720) 2.824 9.676 ( -3.725 -0.605 2.689) 4.633 9.932 ( -0.444 0.058 -5.070) 5.089 10.044 ( -7.821 3.899 -1.875) 8.938 10.312 ( 0.404 1.327 3.702) 3.953 10.426 ( -0.497 -2.426 -1.835) 3.082 10.489 ( -4.462 2.049 -2.684) 5.596 10.627 ( -1.452 -0.497 1.186) 1.939 10.787 ( -0.261 0.061 0.577) 0.637 11.002 ( -1.501 -0.589 5.072) 5.322 11.205 ( 6.276 -2.115 -0.229) 6.627 11.572 ( -1.183 5.262 -1.409) 5.574 12.055 ( 5.921 3.945 2.093) 7.416 12.301 ( 1.044 -1.470 -1.640) 2.437 12.408 ( 3.253 -1.325 2.245) 4.169 13.021 ( -2.178 -0.907 -0.380) 2.390 13.037 ( -0.530 -0.511 -0.613) 0.958 13.587 ( -1.038 -2.191 -0.684) 2.519 13.688 ( 1.511 -0.717 1.876) 2.513 13.812 ( -1.738 -1.847 -0.959) 2.711 14.002 ( 4.018 -5.409 3.328) 7.515 14.322 ( -0.573 -7.461 -4.543) 8.754 14.512 ( 0.439 0.072 -6.913) 6.928 14.571 ( 10.023 -6.042 -2.401) 11.947 14.985 ( 8.411 1.883 7.044) 11.131 15.947 ( -7.499 18.339 0.868) 19.832 16.221 ( -1.616 12.534 -0.015) 12.637 17.913 ( -0.818 -0.580 -0.028) 1.003 17.930 ( -0.869 0.456 0.250) 1.013 ======================= Grid point 262 (118/168) ======================= q-point: ( 0.45 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 1.567 -5.480 -0.361) 5.711 1.453 ( 5.477 -4.561 -2.912) 7.699 1.654 ( 4.586 -7.671 -3.984) 9.785 1.890 ( 7.029 -0.581 6.131) 9.346 2.016 ( 1.743 -2.988 0.455) 3.489 2.143 ( 3.547 -1.670 -2.311) 4.551 2.291 ( -2.752 4.860 -1.521) 5.789 2.413 ( 2.069 1.070 7.592) 7.942 2.639 ( -4.310 -2.873 -2.659) 5.822 2.791 ( -3.728 -4.348 -0.385) 5.740 2.947 ( 1.019 -7.196 -6.921) 10.036 3.089 ( -0.706 2.870 -2.477) 3.856 3.162 ( -0.505 2.949 1.673) 3.428 3.282 ( 5.748 -2.610 0.121) 6.314 3.391 ( 0.762 -3.283 1.624) 3.741 3.686 ( -0.596 2.507 -0.008) 2.577 3.969 ( -1.908 -1.964 4.456) 5.230 4.247 ( -2.759 -0.663 1.247) 3.100 4.443 ( -0.494 6.085 0.003) 6.105 4.518 ( -1.984 4.633 1.654) 5.304 4.601 ( 3.604 2.370 -5.993) 7.384 4.761 ( 0.043 0.616 2.690) 2.760 4.944 ( -0.020 0.161 -1.655) 1.663 5.095 ( -0.299 3.133 -1.075) 3.326 5.349 ( -4.402 -2.410 2.216) 5.486 5.408 ( 0.256 0.852 1.023) 1.355 5.585 ( -0.402 2.829 2.938) 4.099 5.787 ( -0.612 0.571 -2.229) 2.381 5.898 ( 2.652 1.693 -7.149) 7.811 6.035 ( -2.191 -0.161 1.006) 2.416 6.220 ( 3.451 -2.540 -1.979) 4.720 6.349 ( -0.243 4.423 1.538) 4.689 6.643 ( 1.484 -2.306 7.116) 7.626 7.018 ( 2.413 0.553 1.471) 2.880 7.116 ( -4.863 2.553 -1.039) 5.590 7.529 ( -2.078 2.905 -1.953) 4.071 8.059 ( -1.659 0.323 -2.199) 2.773 8.395 ( 1.146 0.125 -0.402) 1.221 8.446 ( 0.193 -0.975 -0.216) 1.017 8.601 ( -1.000 -1.632 1.906) 2.701 9.089 ( -0.830 -4.982 -1.395) 5.240 9.195 ( 0.390 -7.020 0.757) 7.072 9.299 ( 0.799 -1.294 0.010) 1.521 9.418 ( 1.168 -3.752 -0.300) 3.941 9.686 ( -5.021 -2.751 3.293) 6.605 9.885 ( -5.450 0.067 -4.351) 6.974 9.947 ( 0.395 2.259 -3.914) 4.537 10.322 ( -2.154 -0.735 3.279) 3.991 10.408 ( -0.078 3.692 -0.599) 3.741 10.459 ( 0.670 -1.872 -0.709) 2.111 10.614 ( 0.292 1.527 -0.231) 1.572 10.794 ( -1.240 -1.179 0.440) 1.767 11.036 ( -2.943 -2.099 5.632) 6.692 11.275 ( 4.799 -1.153 -0.594) 4.971 11.480 ( -1.476 3.807 -0.205) 4.089 12.025 ( 2.523 3.915 0.429) 4.677 12.322 ( 1.032 -0.676 -0.797) 1.469 12.462 ( 3.065 -1.271 0.099) 3.319 13.012 ( -1.724 -0.592 -1.209) 2.187 13.044 ( -1.795 -1.198 0.389) 2.193 13.611 ( -0.736 -1.627 -0.056) 1.787 13.717 ( 1.636 -0.221 1.985) 2.582 13.824 ( -2.696 -2.086 -0.321) 3.424 14.126 ( 1.560 -3.842 2.460) 4.822 14.393 ( 1.140 -2.888 0.864) 3.223 14.506 ( -1.680 -2.873 -4.871) 5.899 14.694 ( 13.083 -0.017 -7.376) 15.019 15.036 ( 7.248 2.610 3.885) 8.628 15.614 ( -6.141 14.154 0.737) 15.446 16.049 ( -3.478 6.040 1.798) 7.198 17.917 ( -0.455 -0.382 -0.003) 0.594 17.919 ( -0.693 0.154 0.052) 0.712 ======================= Grid point 263 (119/168) ======================= q-point: ( 0.55 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -1.252 -2.291 3.513) 4.377 1.527 ( 4.862 -1.219 -5.371) 7.346 1.752 ( -0.228 -3.506 -4.972) 6.088 1.911 ( 2.410 4.216 1.444) 5.066 2.070 ( 3.612 -1.444 -0.587) 3.934 2.125 ( -1.613 2.473 -2.387) 3.797 2.228 ( -1.003 0.333 -1.274) 1.655 2.420 ( -1.921 1.978 1.872) 3.332 2.658 ( 1.608 -2.460 6.896) 7.496 2.838 ( -0.613 -2.066 -1.060) 2.402 2.982 ( -2.898 -2.418 -4.127) 5.593 3.049 ( 0.823 -0.655 -1.495) 1.828 3.092 ( 0.709 4.053 1.184) 4.282 3.395 ( -0.379 -0.242 3.210) 3.241 3.447 ( 3.071 -0.437 0.331) 3.120 3.625 ( -0.513 0.638 -1.833) 2.007 4.046 ( -1.707 -5.212 3.741) 6.639 4.260 ( -1.172 -1.965 0.294) 2.307 4.327 ( 0.983 6.120 -0.868) 6.259 4.449 ( -3.304 2.610 3.933) 5.761 4.567 ( 3.782 1.331 -5.458) 6.773 4.772 ( -0.681 -0.431 1.756) 1.932 4.950 ( 0.735 -0.228 -1.183) 1.411 5.042 ( -0.424 1.577 -0.510) 1.711 5.360 ( -2.571 -2.555 1.584) 3.956 5.436 ( 2.135 -0.986 0.690) 2.451 5.587 ( -2.084 -1.639 5.685) 6.273 5.762 ( 0.243 1.462 -4.711) 4.939 5.808 ( -0.775 3.646 -3.625) 5.199 6.061 ( -0.187 -1.654 3.091) 3.511 6.227 ( 0.632 5.695 -0.586) 5.760 6.321 ( 3.673 -2.161 -1.403) 4.486 6.706 ( -1.140 -0.988 0.640) 1.639 7.006 ( -1.514 -0.383 -3.784) 4.093 7.089 ( 0.798 -0.279 2.428) 2.571 7.481 ( -0.675 0.586 0.278) 0.936 8.053 ( 0.555 -0.747 0.533) 1.072 8.390 ( 0.244 0.729 0.052) 0.770 8.458 ( 0.236 -0.160 0.186) 0.341 8.617 ( -1.579 -1.084 -0.794) 2.073 9.140 ( 2.542 -1.128 0.226) 2.790 9.277 ( 1.228 -1.585 0.154) 2.011 9.322 ( 1.255 -0.868 0.116) 1.530 9.474 ( -0.746 -1.713 -0.151) 1.875 9.712 ( -6.425 -3.535 3.510) 8.130 9.828 ( -4.860 -0.252 -1.510) 5.095 9.927 ( 3.524 -0.977 -6.688) 7.622 10.291 ( -7.365 -0.768 -3.849) 8.345 10.402 ( 5.551 1.470 5.280) 7.801 10.491 ( 2.136 -0.448 1.284) 2.532 10.596 ( 2.011 0.980 -0.527) 2.299 10.810 ( -0.409 -1.377 0.009) 1.436 11.062 ( -3.503 -0.540 5.399) 6.458 11.302 ( 0.805 0.683 -1.426) 1.775 11.425 ( -0.999 1.401 1.543) 2.311 11.979 ( -0.346 2.001 -1.397) 2.465 12.332 ( 0.979 0.342 0.288) 1.077 12.495 ( 2.907 -0.300 -1.990) 3.536 13.006 ( -1.331 -0.708 -0.778) 1.697 13.049 ( -2.331 -1.180 0.254) 2.625 13.628 ( -0.237 -0.778 0.438) 0.924 13.738 ( 2.617 0.801 1.423) 3.085 13.836 ( -3.772 -2.231 0.648) 4.430 14.162 ( -1.976 0.099 1.940) 2.771 14.465 ( 1.306 -0.795 6.473) 6.651 14.503 ( -1.048 -0.587 -3.711) 3.901 14.713 ( 11.903 4.616 -7.811) 14.966 15.034 ( 5.569 5.323 -0.116) 7.704 15.433 ( -2.876 1.347 0.187) 3.182 15.972 ( -5.462 0.163 1.278) 5.612 17.915 ( -0.157 -0.246 -0.109) 0.312 17.921 ( -0.224 -0.344 -0.000) 0.411 ======================= Grid point 264 (120/168) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.226 4.381 4.364) 6.304 1.511 ( 2.863 3.328 -6.454) 7.806 1.676 ( -4.790 6.789 -4.608) 9.501 1.858 ( -1.112 3.408 -1.849) 4.034 2.059 ( -2.410 2.136 -1.653) 3.619 2.100 ( 3.067 1.197 -3.895) 5.100 2.202 ( -3.535 -1.989 -1.362) 4.279 2.402 ( 0.493 0.441 4.206) 4.258 2.764 ( 5.041 0.833 6.391) 8.182 2.849 ( -0.062 -1.006 2.344) 2.551 2.963 ( -3.065 1.775 3.521) 4.994 3.050 ( 1.277 -0.247 1.586) 2.051 3.128 ( 2.126 -5.459 -2.900) 6.537 3.272 ( -4.157 10.237 -0.759) 11.075 3.445 ( 0.721 1.181 0.309) 1.418 3.660 ( 0.225 -2.132 -2.131) 3.023 4.081 ( 0.655 1.522 -1.149) 2.017 4.287 ( -1.796 -1.953 2.514) 3.655 4.316 ( 2.529 -3.730 -1.244) 4.675 4.416 ( -4.114 -0.653 4.054) 5.812 4.574 ( 3.946 -0.399 -2.507) 4.692 4.771 ( -1.181 0.311 0.364) 1.274 4.941 ( 0.368 0.510 0.645) 0.901 5.047 ( -0.565 -1.952 0.438) 2.079 5.405 ( 0.024 -2.877 -2.021) 3.516 5.475 ( 5.040 0.070 2.456) 5.608 5.645 ( -3.583 -3.833 4.733) 7.066 5.669 ( -2.323 2.643 -6.094) 7.037 5.790 ( 0.518 -0.205 2.011) 2.087 6.109 ( 4.071 2.824 2.554) 5.574 6.123 ( -4.361 0.399 2.572) 5.079 6.382 ( 3.898 -1.708 -2.560) 4.966 6.659 ( -3.723 1.402 -5.850) 7.074 6.966 ( -4.163 -0.282 -8.664) 9.616 7.158 ( 4.394 -3.288 4.760) 7.265 7.504 ( 0.825 -2.156 2.064) 3.097 8.096 ( 3.117 -1.158 3.576) 4.883 8.377 ( -0.424 1.043 0.530) 1.244 8.459 ( 0.088 0.243 0.281) 0.382 8.610 ( -1.622 -0.820 -2.847) 3.377 9.177 ( 3.977 0.563 2.359) 4.659 9.278 ( 0.802 1.979 -0.155) 2.141 9.342 ( 3.136 1.026 -1.041) 3.460 9.446 ( -2.050 3.503 0.305) 4.070 9.734 ( -6.757 -3.555 1.992) 7.891 9.802 ( -3.034 -0.561 0.369) 3.107 9.976 ( 4.441 -4.587 -6.162) 8.873 10.235 ( -5.898 -1.945 -5.684) 8.419 10.459 ( 4.006 -0.550 4.673) 6.180 10.519 ( 3.133 0.800 3.457) 4.733 10.614 ( 4.153 -0.358 -0.042) 4.169 10.830 ( 0.720 -0.716 -0.290) 1.056 11.046 ( -3.931 1.756 4.758) 6.417 11.245 ( -2.633 3.342 -2.488) 4.928 11.437 ( -0.508 -1.722 3.122) 3.602 11.941 ( -2.852 -0.213 -3.206) 4.296 12.328 ( 0.880 1.426 1.458) 2.221 12.498 ( 2.692 0.904 -3.919) 4.839 13.008 ( -0.987 -0.775 -0.077) 1.257 13.049 ( -2.220 -0.823 -0.107) 2.370 13.636 ( 0.247 0.284 0.892) 0.969 13.742 ( 2.670 1.791 0.311) 3.230 13.844 ( -3.739 -1.435 1.655) 4.334 14.119 ( -4.073 3.153 1.208) 5.291 14.438 ( -3.162 2.189 1.122) 4.006 14.517 ( 4.922 3.848 6.491) 9.010 14.667 ( 7.487 5.799 -5.005) 10.711 14.949 ( -0.044 5.763 -1.342) 5.917 15.537 ( 3.505 -12.364 -2.133) 13.027 15.960 ( -6.195 -4.002 -0.898) 7.430 17.921 ( 0.090 -0.362 -0.107) 0.388 17.927 ( 0.200 -0.578 -0.160) 0.632 ======================= Grid point 265 (121/168) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.245 10.679 4.642) 11.647 1.410 ( 0.493 6.196 -6.190) 8.772 1.455 ( -7.062 10.776 -2.786) 13.181 1.719 ( -6.131 6.871 -5.773) 10.868 1.984 ( -4.414 4.046 3.358) 6.865 2.032 ( 4.748 7.775 -6.016) 10.917 2.258 ( -1.903 -6.116 -0.660) 6.440 2.416 ( -0.800 3.375 8.145) 8.852 2.710 ( -0.192 8.073 -0.340) 8.082 2.845 ( -0.751 1.480 -4.645) 4.933 2.946 ( 2.249 4.512 7.547) 9.076 3.087 ( 0.088 -0.615 3.646) 3.698 3.129 ( 0.437 0.818 2.399) 2.573 3.235 ( 1.383 -5.436 -1.077) 5.712 3.420 ( 1.430 1.932 0.002) 2.404 3.644 ( -3.355 0.178 -4.193) 5.373 4.075 ( 5.306 0.126 -1.425) 5.495 4.268 ( -4.887 2.383 3.245) 6.332 4.432 ( 1.792 -6.891 -0.276) 7.126 4.480 ( -1.802 -7.369 1.110) 7.667 4.605 ( 3.234 -0.634 -0.711) 3.371 4.751 ( -1.557 0.236 -1.247) 2.009 4.976 ( 1.732 -2.889 2.852) 4.413 5.079 ( -1.971 -2.128 1.499) 3.265 5.424 ( 0.438 -0.752 -1.841) 2.036 5.528 ( 7.357 1.505 0.562) 7.530 5.596 ( -3.235 -0.874 -4.377) 5.513 5.694 ( -3.392 -0.975 4.310) 5.571 5.833 ( 1.786 -2.706 2.803) 4.286 6.072 ( -1.697 -2.142 1.185) 2.978 6.182 ( 1.145 -1.508 5.268) 5.598 6.404 ( 2.141 0.218 -4.270) 4.782 6.594 ( -2.292 -0.596 -4.639) 5.209 6.882 ( -6.069 -0.729 -10.741) 12.359 7.283 ( 5.135 -3.377 6.100) 8.659 7.567 ( 0.498 -3.584 0.572) 3.664 8.157 ( 4.032 0.321 5.000) 6.431 8.350 ( -1.096 1.929 0.571) 2.291 8.459 ( 0.409 0.026 0.468) 0.622 8.597 ( -0.951 -0.799 -3.846) 4.042 9.181 ( 3.192 6.023 0.713) 6.854 9.232 ( 0.306 2.921 3.030) 4.220 9.295 ( 1.422 6.334 -1.759) 6.725 9.373 ( 0.610 2.588 -1.493) 3.050 9.747 ( -3.231 -2.478 -0.213) 4.077 9.801 ( -4.123 -1.814 1.759) 4.835 10.083 ( 4.242 -6.724 -4.294) 9.036 10.218 ( -4.171 -4.103 -5.625) 8.116 10.518 ( 3.114 -0.231 4.550) 5.518 10.556 ( 4.271 0.104 4.373) 6.113 10.666 ( 5.271 -1.091 0.425) 5.400 10.831 ( 1.148 1.589 -0.471) 2.016 10.987 ( -4.523 3.498 3.413) 6.659 11.144 ( -4.774 3.611 -2.197) 6.376 11.503 ( 0.724 -4.404 3.660) 5.772 11.906 ( -5.025 -1.485 -4.935) 7.198 12.311 ( 0.486 2.361 2.648) 3.581 12.471 ( 2.395 1.964 -5.413) 6.237 13.013 ( -0.844 -0.541 0.545) 1.141 13.042 ( -1.539 -0.258 -0.396) 1.610 13.630 ( 0.475 1.530 1.421) 2.141 13.719 ( 1.246 2.708 -0.643) 3.049 13.840 ( -2.573 0.164 2.319) 3.467 14.013 ( -3.849 4.878 -1.566) 6.408 14.380 ( -3.468 4.911 7.829) 9.871 14.505 ( 6.831 5.175 2.852) 9.032 14.601 ( 3.817 5.127 -1.842) 6.652 14.848 ( -3.659 3.301 -2.312) 5.444 15.831 ( 5.897 -18.319 -3.345) 19.533 16.009 ( -6.074 -8.669 -1.193) 10.652 17.926 ( 0.128 -0.136 0.152) 0.241 17.941 ( 0.483 -0.904 -0.657) 1.218 ======================= Grid point 266 (122/168) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 2.353 11.853 7.985) 14.485 1.194 ( -6.543 12.153 2.578) 14.041 1.276 ( -0.243 6.485 -6.271) 9.025 1.510 ( -7.519 7.199 -6.891) 12.484 1.844 ( -2.060 11.246 0.136) 11.434 1.883 ( 0.729 10.022 -0.660) 10.070 2.236 ( -4.340 15.412 6.092) 17.131 2.337 ( -3.030 -2.719 -3.762) 5.543 2.619 ( -0.539 1.705 4.425) 4.773 2.772 ( 4.166 4.437 -7.085) 9.340 2.952 ( 4.126 3.223 8.432) 9.925 3.080 ( -0.171 0.167 1.647) 1.664 3.215 ( 2.721 -4.121 2.201) 5.406 3.315 ( -0.515 -5.248 -1.044) 5.376 3.420 ( 0.797 0.498 0.496) 1.063 3.592 ( -3.532 -0.844 -6.496) 7.442 4.136 ( 6.437 -2.184 -2.015) 7.089 4.195 ( -6.176 1.794 2.231) 6.807 4.543 ( -0.636 -4.418 2.582) 5.156 4.586 ( 0.580 -3.738 -1.267) 3.989 4.644 ( 2.191 -2.082 0.755) 3.116 4.744 ( -1.534 -2.687 -2.726) 4.124 5.083 ( 3.040 -5.705 1.836) 6.720 5.107 ( -3.046 -2.779 2.754) 4.959 5.433 ( 0.244 0.149 1.371) 1.400 5.532 ( 3.507 2.103 -2.052) 4.575 5.585 ( -1.802 0.157 2.049) 2.733 5.683 ( -0.049 -0.146 -1.725) 1.731 5.927 ( 1.605 -3.835 4.711) 6.283 6.163 ( -1.480 -7.788 -3.534) 8.680 6.225 ( -0.261 -0.986 6.492) 6.572 6.387 ( 2.327 0.139 -5.129) 5.634 6.617 ( 0.155 -4.437 0.479) 4.466 6.823 ( -5.803 -4.223 -8.502) 11.126 7.406 ( 5.167 -2.767 7.352) 9.403 7.630 ( -1.060 -4.278 -1.764) 4.747 8.177 ( 3.016 3.316 4.220) 6.156 8.294 ( -1.847 3.495 -0.225) 3.960 8.472 ( 1.166 -0.289 1.089) 1.621 8.581 ( -0.764 -0.128 -4.172) 4.243 9.019 ( 1.151 13.678 2.366) 13.929 9.146 ( -2.867 8.699 -3.667) 9.866 9.233 ( 3.494 2.383 2.394) 4.860 9.332 ( 1.357 2.516 -2.893) 4.067 9.781 ( 1.564 -2.819 -0.567) 3.274 9.810 ( -4.844 -2.754 1.247) 5.710 10.212 ( 1.068 -6.857 -1.974) 7.215 10.257 ( -1.318 -6.003 -4.435) 7.579 10.562 ( 4.422 1.001 5.749) 7.322 10.621 ( 3.672 -1.633 2.627) 4.801 10.733 ( 5.008 -1.307 0.990) 5.270 10.796 ( 2.957 3.410 -0.471) 4.539 10.900 ( -5.357 3.557 3.071) 7.126 11.023 ( -7.570 4.041 -2.114) 8.838 11.632 ( 3.045 -6.832 3.091) 8.094 11.867 ( -5.671 -2.097 -5.705) 8.313 12.282 ( -0.385 2.923 3.620) 4.668 12.419 ( 1.717 2.850 -6.088) 6.938 13.016 ( -0.806 -0.048 0.820) 1.151 13.031 ( -0.493 0.312 -0.438) 0.729 13.603 ( 0.136 2.880 1.714) 3.354 13.662 ( -0.177 3.932 -1.228) 4.123 13.821 ( -1.574 1.418 2.558) 3.321 13.906 ( -1.556 3.723 -2.306) 4.648 14.277 ( -2.930 8.713 8.727) 12.675 14.465 ( 6.959 6.817 -5.303) 11.091 14.546 ( 1.191 3.755 4.902) 6.289 14.762 ( -3.909 1.289 -4.463) 6.071 16.168 ( -4.391 -15.437 2.407) 16.229 16.189 ( 4.528 -20.162 -3.214) 20.913 17.930 ( 0.207 0.026 0.433) 0.481 17.955 ( 0.279 -0.703 -1.203) 1.421 ======================= Grid point 267 (123/168) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.854 8.203 10.675) 13.762 1.025 ( 1.619 7.407 14.697) 16.537 1.138 ( -0.965 5.472 -7.525) 9.354 1.316 ( -5.248 5.412 -6.131) 9.717 1.617 ( 1.994 14.197 -1.517) 14.416 1.664 ( -4.649 11.852 -3.658) 13.247 1.986 ( 1.838 15.581 15.313) 21.924 2.287 ( -2.993 2.608 -11.895) 12.540 2.626 ( -3.790 -1.111 3.253) 5.117 2.720 ( 6.201 2.841 -5.809) 8.960 2.964 ( 5.613 2.723 8.417) 10.477 3.106 ( 0.106 -1.403 -2.111) 2.537 3.316 ( 1.498 -4.844 3.029) 5.906 3.394 ( -3.146 -4.564 0.749) 5.594 3.405 ( -0.742 0.065 -1.024) 1.266 3.547 ( -1.166 0.283 -8.989) 9.069 4.161 ( -5.865 -2.699 2.917) 7.084 4.222 ( 5.882 -3.641 -2.898) 7.501 4.580 ( -2.403 -0.036 2.144) 3.220 4.607 ( 2.109 0.811 -0.244) 2.273 4.703 ( -0.032 -2.405 3.441) 4.199 4.790 ( -0.224 -4.175 -3.912) 5.726 5.159 ( -3.135 -4.709 2.837) 6.328 5.214 ( 4.033 -5.773 -1.916) 7.298 5.399 ( -4.688 3.981 4.669) 7.722 5.477 ( 4.600 5.995 -2.486) 7.955 5.634 ( 1.412 -4.427 2.522) 5.287 5.703 ( -0.484 -4.263 -3.558) 5.574 5.993 ( -0.030 0.549 6.618) 6.641 6.150 ( -1.302 2.394 -5.790) 6.399 6.342 ( -1.449 -7.383 1.494) 7.671 6.395 ( 0.444 -1.504 -2.465) 2.921 6.773 ( 2.092 -11.412 4.889) 12.590 6.873 ( -3.081 -9.444 -4.897) 11.075 7.538 ( 5.751 -3.783 8.444) 10.895 7.676 ( -3.404 -4.967 -4.328) 7.415 8.139 ( 2.571 5.395 3.495) 6.923 8.201 ( -2.735 4.513 -2.128) 5.689 8.488 ( 1.369 0.529 1.529) 2.119 8.544 ( -1.658 1.528 -3.671) 4.308 8.796 ( 1.498 15.142 4.300) 15.812 8.897 ( -4.103 14.620 -5.636) 16.196 9.236 ( 2.983 1.336 1.404) 3.557 9.283 ( 0.329 2.282 -2.790) 3.620 9.823 ( -6.042 -3.768 1.844) 7.356 9.868 ( 5.774 -3.464 -2.027) 7.031 10.294 ( -2.742 -4.685 0.855) 5.495 10.349 ( 1.610 -5.862 -3.598) 7.064 10.607 ( 0.408 -0.111 4.447) 4.467 10.669 ( 2.744 0.076 -0.887) 2.885 10.762 ( 2.179 0.563 2.885) 3.659 10.802 ( 1.012 2.353 0.588) 2.628 10.840 ( -0.682 -0.805 1.767) 2.058 10.879 ( -4.437 4.626 -1.287) 6.538 11.785 ( 2.220 -6.415 1.295) 6.911 11.848 ( -2.735 -3.088 -4.496) 6.101 12.246 ( -1.168 2.545 4.089) 4.956 12.346 ( 0.513 3.506 -5.365) 6.429 13.010 ( -0.496 0.459 0.707) 0.978 13.022 ( 0.835 0.533 -0.426) 1.078 13.552 ( -0.015 3.872 1.360) 4.104 13.582 ( 0.433 4.556 -1.402) 4.786 13.793 ( -1.716 1.727 2.558) 3.531 13.842 ( 0.467 2.209 -1.936) 2.975 14.139 ( -0.613 9.717 6.945) 11.959 14.303 ( 2.718 12.049 -8.722) 15.121 14.553 ( 2.475 1.045 7.498) 7.965 14.706 ( -1.575 -0.334 -6.716) 6.906 16.468 ( -4.138 -20.762 5.170) 21.792 16.540 ( 2.758 -18.687 -2.073) 19.003 17.932 ( 0.237 0.178 0.717) 0.776 17.954 ( -0.260 0.086 -1.471) 1.497 ======================= Grid point 270 (124/168) ======================= q-point: ( 0.18 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 16.985 0.000 -4.496) 17.570 1.132 ( 5.888 0.000 0.560) 5.914 1.174 ( 11.274 0.000 -12.743) 17.014 1.549 ( 13.640 0.000 0.790) 13.663 1.614 ( 10.749 0.000 15.890) 19.184 1.715 ( 4.640 0.000 -19.972) 20.504 1.886 ( 19.330 0.000 11.369) 22.425 2.326 ( -0.350 -0.000 7.519) 7.527 2.445 ( -3.469 -0.000 4.434) 5.630 2.647 ( -5.687 -0.000 -5.354) 7.810 2.942 ( 1.958 0.000 -12.010) 12.169 2.957 ( -3.930 -0.000 -5.069) 6.414 3.257 ( -2.604 -0.000 -2.505) 3.614 3.326 ( -4.851 -0.000 5.489) 7.325 3.559 ( -3.820 -0.000 4.953) 6.255 3.586 ( 2.980 0.000 9.898) 10.337 4.320 ( 4.112 0.000 -1.282) 4.307 4.330 ( -1.864 -0.000 -4.699) 5.055 4.474 ( -3.242 -0.000 2.646) 4.185 4.650 ( 1.990 0.000 -2.264) 3.015 4.803 ( 0.183 0.000 5.190) 5.193 4.809 ( 2.370 0.000 -3.516) 4.240 5.126 ( -1.157 -0.000 -2.524) 2.776 5.250 ( -4.424 -0.000 4.019) 5.976 5.321 ( -0.022 -0.000 -1.398) 1.398 5.588 ( 6.504 0.000 0.653) 6.537 5.678 ( -5.967 -0.000 2.620) 6.517 5.754 ( -5.310 -0.000 1.016) 5.407 5.921 ( 0.662 0.000 -4.929) 4.973 6.187 ( 4.483 0.000 9.183) 10.219 6.361 ( -5.621 -0.000 2.670) 6.223 6.398 ( -2.089 -0.000 -1.736) 2.716 7.015 ( -6.265 -0.000 -1.566) 6.458 7.035 ( -1.888 -0.000 -0.657) 1.999 7.490 ( -9.694 -0.000 -11.829) 15.294 7.796 ( -4.505 -0.000 -3.529) 5.722 7.953 ( 2.970 0.000 3.936) 4.931 8.210 ( -0.096 -0.000 2.453) 2.455 8.305 ( -0.142 -0.000 -0.894) 0.905 8.388 ( 2.432 0.000 2.239) 3.306 8.511 ( -1.257 -0.000 -0.031) 1.257 8.557 ( -1.934 -0.000 1.647) 2.541 9.190 ( 1.923 0.000 -1.137) 2.234 9.328 ( 4.156 0.000 -2.541) 4.872 9.810 ( -4.556 -0.000 2.154) 5.040 9.881 ( -3.214 -0.000 -2.330) 3.969 10.227 ( -6.665 -0.000 0.413) 6.678 10.308 ( -4.047 -0.000 -2.148) 4.581 10.451 ( -5.831 -0.000 -3.897) 7.013 10.545 ( -10.586 -0.000 -1.271) 10.662 10.649 ( -1.775 -0.000 -1.639) 2.415 10.820 ( 2.831 0.000 3.302) 4.350 11.031 ( 3.703 0.000 2.204) 4.309 11.037 ( 7.221 0.000 2.950) 7.801 11.804 ( -0.818 -0.000 -3.626) 3.717 12.058 ( 6.738 0.000 3.481) 7.584 12.237 ( 1.814 0.000 -1.282) 2.222 12.360 ( 9.058 0.000 4.971) 10.333 13.008 ( -0.553 -0.000 -0.132) 0.569 13.047 ( -0.867 -0.000 -1.249) 1.520 13.513 ( 1.750 0.000 -0.234) 1.766 13.651 ( 7.046 0.000 0.034) 7.046 13.765 ( -1.460 -0.000 -2.009) 2.484 13.796 ( 3.598 0.000 3.172) 4.796 13.955 ( -0.147 -0.000 -2.958) 2.962 14.118 ( 6.656 0.000 1.783) 6.890 14.611 ( 1.495 0.000 -9.771) 9.885 14.937 ( 10.489 0.000 10.689) 14.975 16.666 ( -11.177 -0.000 -3.176) 11.620 16.839 ( -6.305 -0.000 0.793) 6.355 17.896 ( -1.183 -0.000 -0.156) 1.194 17.938 ( -0.231 -0.000 0.021) 0.232 ======================= Grid point 271 (125/168) ======================= q-point: ( 0.27 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 17.387 1.310 -5.497) 18.283 1.196 ( 6.891 -1.883 -2.478) 7.562 1.220 ( 14.136 -3.410 -8.801) 16.997 1.670 ( 13.371 -1.494 3.357) 13.867 1.770 ( 5.643 -5.815 -0.379) 8.112 1.794 ( 8.793 -5.796 1.071) 10.586 2.124 ( 14.745 -5.567 7.118) 17.294 2.353 ( -3.875 -3.562 6.804) 8.602 2.434 ( -4.887 0.240 2.837) 5.656 2.609 ( -5.124 -4.267 -7.191) 9.807 2.814 ( 0.634 6.660 -8.031) 10.453 2.979 ( -1.166 -3.945 -3.907) 5.673 3.235 ( 1.607 0.903 -0.970) 2.083 3.321 ( -3.972 -1.012 1.653) 4.420 3.514 ( -4.087 3.064 2.648) 5.754 3.673 ( 1.333 -2.055 8.267) 8.622 4.209 ( 0.956 8.895 -1.453) 9.064 4.288 ( -2.554 2.716 -1.598) 4.057 4.539 ( 1.239 -4.692 0.125) 4.855 4.636 ( -1.271 0.959 -1.965) 2.529 4.777 ( 0.803 3.006 -0.189) 3.117 4.848 ( 3.263 -0.067 2.439) 4.074 5.111 ( -0.841 0.036 -2.134) 2.294 5.204 ( -5.202 3.378 2.724) 6.774 5.315 ( 0.053 0.478 0.140) 0.501 5.571 ( -3.653 3.562 -0.673) 5.147 5.630 ( 3.547 -0.485 -0.803) 3.669 5.811 ( -3.687 -5.411 3.443) 7.398 5.947 ( 0.134 -4.436 -3.418) 5.602 6.127 ( -1.379 10.503 4.350) 11.452 6.291 ( -7.302 4.996 0.097) 8.848 6.407 ( 2.316 -0.802 3.441) 4.225 6.778 ( -3.564 10.192 -1.655) 10.923 7.093 ( -2.255 -0.517 -1.622) 2.825 7.335 ( -4.946 3.023 -6.737) 8.888 7.736 ( -2.849 2.282 -2.117) 4.220 8.033 ( 0.806 -3.997 2.034) 4.557 8.246 ( 0.171 -4.193 0.321) 4.209 8.386 ( 1.041 -1.948 -0.996) 2.423 8.458 ( -0.265 -9.773 2.003) 9.980 8.503 ( -2.133 -2.802 0.242) 3.530 8.640 ( -3.156 -9.218 1.515) 9.860 9.216 ( 3.264 -0.760 -0.041) 3.351 9.346 ( 3.931 0.139 -2.632) 4.733 9.733 ( -3.672 3.642 0.967) 5.261 9.890 ( -3.614 -3.114 -2.930) 5.598 10.155 ( -7.202 2.459 -0.634) 7.637 10.293 ( -4.505 -2.614 0.065) 5.209 10.380 ( -3.789 0.486 -3.050) 4.888 10.474 ( -7.748 -1.325 -0.891) 7.911 10.624 ( -1.506 0.779 -0.079) 1.698 10.840 ( 2.689 1.627 1.584) 3.520 11.046 ( -0.645 1.615 4.541) 4.863 11.123 ( 5.959 -2.053 2.759) 6.880 11.757 ( 2.559 4.139 -4.119) 6.375 12.122 ( 6.267 -0.151 1.976) 6.573 12.256 ( 2.227 -0.920 -1.393) 2.783 12.435 ( 8.171 2.409 3.711) 9.292 13.000 ( -1.621 -0.133 0.010) 1.626 13.029 ( -1.602 -0.035 -1.534) 2.218 13.529 ( 0.953 -0.485 -0.418) 1.148 13.684 ( 2.380 0.633 1.502) 2.885 13.762 ( 0.773 -1.028 -2.508) 2.818 13.862 ( 3.589 -2.331 2.576) 4.996 14.017 ( 1.148 -7.717 -3.019) 8.366 14.257 ( 7.433 -8.513 1.094) 11.354 14.567 ( 0.598 1.314 -6.753) 6.906 15.060 ( 10.191 1.644 11.957) 15.797 16.473 ( -10.606 9.790 -3.769) 14.918 16.692 ( -4.170 10.993 -1.720) 11.883 17.891 ( -1.142 -0.524 -0.002) 1.256 17.937 ( -0.629 -0.139 0.004) 0.644 ======================= Grid point 272 (126/168) ======================= q-point: ( 0.36 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 13.416 1.483 -7.543) 15.463 1.285 ( 7.030 -4.057 -4.597) 9.328 1.408 ( 13.691 -6.314 -3.448) 15.466 1.827 ( 11.962 -2.208 4.851) 13.096 1.914 ( 3.587 -5.391 2.012) 6.781 1.946 ( 4.514 -5.726 -2.168) 7.607 2.295 ( -0.784 -4.804 1.843) 5.204 2.418 ( -1.943 -0.542 6.600) 6.901 2.519 ( 3.337 -11.739 4.297) 12.938 2.634 ( -4.172 -4.191 -2.788) 6.537 2.678 ( -1.291 3.529 -4.907) 6.180 3.029 ( 1.638 -4.454 -5.160) 7.011 3.232 ( 3.945 2.353 0.630) 4.637 3.311 ( -2.055 -0.708 -0.206) 2.183 3.429 ( -2.498 4.518 -0.365) 5.175 3.726 ( 0.058 -0.025 2.641) 2.642 4.066 ( -1.211 7.191 2.139) 7.599 4.226 ( -3.007 0.939 -0.655) 3.217 4.579 ( -2.593 2.647 -0.626) 3.758 4.608 ( 1.763 -1.841 -1.627) 3.024 4.718 ( 0.279 4.476 0.608) 4.526 4.867 ( 3.718 2.786 2.462) 5.258 5.051 ( -3.058 5.523 -0.390) 6.325 5.132 ( -3.075 -0.315 -0.932) 3.229 5.302 ( -0.470 0.663 0.015) 0.813 5.500 ( -0.659 3.046 0.327) 3.134 5.695 ( 2.716 -4.484 -2.910) 5.995 5.808 ( -1.603 6.343 3.125) 7.250 5.986 ( -0.586 3.475 -2.361) 4.242 6.026 ( -3.450 -4.979 0.734) 6.102 6.117 ( -4.304 4.795 -1.918) 6.723 6.451 ( 2.700 1.086 3.891) 4.859 6.649 ( -1.703 3.154 1.798) 4.011 7.051 ( -0.965 1.265 -2.931) 3.335 7.241 ( -2.808 4.104 1.387) 5.163 7.655 ( -2.235 3.797 -1.125) 4.547 8.081 ( -0.171 -0.587 -0.936) 1.118 8.330 ( 1.857 -4.388 -0.626) 4.806 8.400 ( 0.067 -1.131 -1.425) 1.821 8.521 ( -3.249 -2.781 2.335) 4.873 8.716 ( -0.198 -15.776 -0.604) 15.789 8.804 ( -4.136 -12.659 1.493) 13.401 9.258 ( 3.146 -0.828 0.506) 3.292 9.363 ( 3.147 -0.148 -1.911) 3.684 9.664 ( -3.201 1.741 0.376) 3.663 9.869 ( -6.030 -0.988 -4.823) 7.785 10.054 ( -3.511 3.357 -0.654) 4.902 10.294 ( -7.175 -1.552 2.437) 7.735 10.364 ( -1.800 -2.444 -2.312) 3.816 10.467 ( -1.747 -2.292 -0.486) 2.923 10.607 ( -1.207 -0.066 0.840) 1.472 10.827 ( 2.027 2.575 0.677) 3.346 11.021 ( -4.113 1.671 6.973) 8.266 11.216 ( 5.580 -2.396 0.488) 6.092 11.671 ( 3.218 6.647 -2.215) 7.710 12.163 ( 5.899 2.329 -0.639) 6.374 12.287 ( 2.399 -1.254 -1.184) 2.955 12.448 ( 4.129 1.977 0.552) 4.611 12.987 ( -2.928 -0.423 0.243) 2.968 13.015 ( -1.443 -0.582 -1.418) 2.105 13.544 ( -0.282 -1.504 -0.774) 1.715 13.697 ( -0.425 -0.505 2.462) 2.549 13.779 ( 2.026 -0.806 -2.431) 3.266 13.957 ( 3.137 -4.537 1.704) 5.773 14.162 ( 1.299 -8.942 -2.047) 9.265 14.479 ( 6.910 -7.265 -5.812) 11.589 14.537 ( 3.439 -1.196 2.613) 4.481 15.149 ( 8.579 3.480 12.265) 15.367 16.163 ( -8.773 14.940 -4.191) 17.825 16.431 ( -2.290 14.342 -3.214) 14.875 17.894 ( -1.017 -0.773 0.134) 1.284 17.930 ( -0.964 0.240 -0.066) 0.996 ======================= Grid point 273 (127/168) ======================= q-point: ( 0.45 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 7.828 -1.371 -2.977) 8.486 1.393 ( 6.405 -5.207 -6.024) 10.219 1.582 ( 9.590 -4.665 -2.449) 10.942 1.963 ( 7.294 -2.695 0.615) 7.800 1.988 ( 2.774 -0.128 2.500) 3.737 2.066 ( 2.318 -7.313 -4.803) 9.051 2.303 ( -5.985 1.214 -1.301) 6.244 2.468 ( -3.461 -1.344 8.627) 9.392 2.572 ( -2.045 0.304 -2.106) 2.951 2.673 ( -1.755 -5.749 -4.484) 7.499 2.798 ( 3.783 -9.816 2.692) 10.859 3.112 ( 3.520 -2.315 -0.467) 4.239 3.205 ( 1.993 2.817 1.864) 3.921 3.319 ( -2.953 2.169 1.710) 4.043 3.357 ( 5.100 -1.381 -2.213) 5.728 3.706 ( -1.622 1.573 -1.861) 2.928 3.986 ( -1.991 2.655 4.948) 5.958 4.205 ( -3.269 -1.173 0.197) 3.479 4.503 ( -3.057 3.119 0.194) 4.372 4.613 ( 0.781 3.001 -1.502) 3.446 4.639 ( 0.952 4.489 0.129) 4.591 4.832 ( 1.912 4.448 1.769) 5.155 4.953 ( -0.521 2.585 -0.662) 2.719 5.117 ( -1.090 0.436 -1.939) 2.266 5.301 ( -1.250 -1.121 1.182) 2.053 5.442 ( -0.234 3.352 0.965) 3.496 5.682 ( -0.394 6.783 1.561) 6.971 5.763 ( 1.107 -2.464 -3.020) 4.052 5.917 ( -1.237 2.532 -3.364) 4.388 6.006 ( -3.688 -0.775 0.833) 3.860 6.166 ( 3.520 -5.429 -1.222) 6.585 6.431 ( 0.320 3.708 0.748) 3.796 6.648 ( -0.137 -1.006 4.663) 4.773 7.009 ( -2.656 0.381 -4.635) 5.356 7.165 ( -1.190 4.486 5.238) 6.999 7.568 ( -1.596 4.043 -0.174) 4.351 8.060 ( 0.007 1.202 -1.449) 1.883 8.399 ( 1.816 -1.117 -0.448) 2.179 8.419 ( 0.456 -2.243 -0.912) 2.464 8.549 ( -3.919 -2.887 0.361) 4.881 8.940 ( -0.549 -11.391 -0.244) 11.407 9.021 ( -0.408 -13.592 0.191) 13.600 9.292 ( 1.627 -0.596 0.770) 1.896 9.385 ( 1.836 -1.122 -1.062) 2.399 9.625 ( -4.124 -0.255 -0.030) 4.132 9.803 ( -7.054 -0.635 -4.308) 8.289 9.985 ( 0.709 3.020 -1.810) 3.591 10.256 ( -9.119 -0.960 0.704) 9.196 10.402 ( -0.395 -3.594 -0.871) 3.719 10.496 ( 3.899 0.835 2.499) 4.705 10.613 ( -0.951 -1.393 -0.923) 1.922 10.800 ( 0.702 2.019 0.970) 2.347 11.011 ( -5.025 -0.680 8.447) 9.852 11.287 ( 4.059 -1.548 -1.516) 4.601 11.574 ( 2.700 6.847 0.532) 7.379 12.117 ( 2.493 5.358 -3.577) 6.908 12.321 ( 2.295 -0.888 -0.222) 2.471 12.465 ( 2.946 -0.865 -1.380) 3.367 12.973 ( -3.170 -0.878 -0.132) 3.292 13.011 ( -1.807 -0.960 -0.635) 2.143 13.570 ( -0.548 -2.229 -0.241) 2.308 13.721 ( -1.493 -1.626 3.116) 3.819 13.793 ( 2.326 -0.126 -2.440) 3.373 14.066 ( 1.216 -5.081 0.085) 5.225 14.312 ( 1.673 -7.578 1.723) 7.950 14.494 ( 2.621 1.179 0.293) 2.889 14.719 ( 11.580 -5.822 -3.896) 13.534 15.193 ( 6.789 4.739 10.881) 13.673 15.813 ( -6.963 15.954 -4.913) 18.088 16.168 ( -3.849 11.825 -2.565) 12.697 17.901 ( -0.823 -0.785 0.137) 1.146 17.916 ( -0.846 0.268 -0.200) 0.910 ======================= Grid point 274 (128/168) ======================= q-point: ( 0.55 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 2.109 -2.953 1.703) 4.009 1.493 ( 5.541 -4.450 -7.368) 10.237 1.681 ( 4.332 -1.978 -3.180) 5.726 1.983 ( 0.376 0.721 -3.174) 3.276 2.054 ( 4.874 0.050 0.561) 4.906 2.170 ( 1.406 -2.850 -0.316) 3.194 2.190 ( -3.920 2.768 -4.337) 6.468 2.405 ( -8.652 0.999 -2.628) 9.098 2.641 ( 0.797 -6.490 4.523) 7.951 2.775 ( 0.974 -6.285 2.759) 6.932 2.926 ( 3.621 -1.352 -1.702) 4.224 3.067 ( 0.640 4.550 -0.342) 4.607 3.183 ( -0.066 4.636 3.215) 5.642 3.369 ( 0.380 -5.190 5.511) 7.580 3.454 ( 6.691 -3.489 -0.451) 7.559 3.631 ( -3.654 2.866 -3.625) 5.891 3.991 ( -1.667 -1.886 5.393) 5.952 4.205 ( -3.078 -1.880 -0.842) 3.704 4.429 ( -0.419 4.214 -0.835) 4.317 4.511 ( -2.617 5.652 2.730) 6.800 4.607 ( 3.245 2.068 -1.612) 4.172 4.794 ( 0.969 2.324 1.855) 3.128 4.940 ( 1.171 -0.485 -1.233) 1.769 5.071 ( -0.878 2.546 -2.262) 3.517 5.314 ( -2.712 -1.012 2.982) 4.156 5.429 ( 2.113 -0.912 0.208) 2.310 5.608 ( -0.373 2.357 1.523) 2.832 5.769 ( 0.262 1.051 -3.978) 4.123 5.838 ( -2.008 2.687 -1.166) 3.551 6.032 ( -1.431 -2.737 2.505) 3.977 6.275 ( 5.609 -3.420 -2.408) 6.997 6.357 ( 0.622 5.096 0.281) 5.142 6.675 ( -2.780 -0.786 0.295) 2.904 6.950 ( -4.125 -0.006 -6.479) 7.681 7.131 ( 1.135 2.246 5.821) 6.342 7.504 ( -0.490 2.386 0.630) 2.516 8.056 ( 1.617 -0.414 1.715) 2.393 8.406 ( 0.691 0.507 0.089) 0.862 8.452 ( 0.324 -0.862 -0.009) 0.921 8.559 ( -3.679 -2.493 -2.670) 5.185 9.107 ( 3.511 -6.905 0.292) 7.752 9.212 ( 1.424 -8.057 -0.389) 8.191 9.313 ( -0.309 -0.816 1.191) 1.476 9.422 ( 0.033 -2.813 -0.860) 2.942 9.605 ( -6.070 -2.222 0.212) 6.467 9.754 ( -5.592 -1.621 -3.099) 6.596 9.942 ( 3.025 2.184 -3.395) 5.044 10.197 ( -8.855 -0.844 -1.734) 9.063 10.459 ( 0.354 -2.696 1.188) 2.967 10.518 ( 4.599 2.353 4.219) 6.670 10.629 ( 3.001 -0.800 -2.701) 4.116 10.791 ( -0.522 -0.329 1.781) 1.885 11.036 ( -5.378 -1.787 8.510) 10.224 11.309 ( 1.169 0.211 -3.147) 3.364 11.498 ( 2.430 5.327 3.459) 6.800 12.013 ( -0.875 4.552 -5.200) 6.966 12.349 ( 2.021 -0.201 0.718) 2.155 12.496 ( 2.815 -0.965 -2.971) 4.205 12.968 ( -2.549 -1.334 -0.223) 2.886 13.011 ( -2.270 -1.129 -0.168) 2.540 13.604 ( -0.261 -1.993 0.547) 2.083 13.757 ( -2.675 -2.592 3.164) 4.887 13.796 ( 3.061 0.869 -1.878) 3.695 14.131 ( -1.395 -2.799 -1.359) 3.410 14.439 ( -0.219 -3.070 4.758) 5.667 14.529 ( 5.227 -1.080 6.048) 8.066 14.831 ( 13.249 0.810 -8.711) 15.877 15.207 ( 8.097 5.484 6.600) 11.798 15.492 ( -6.858 11.576 -5.059) 14.375 15.961 ( -7.797 5.845 -1.397) 9.845 17.908 ( -0.589 -0.455 -0.052) 0.746 17.910 ( -0.404 -0.373 -0.150) 0.570 ======================= Grid point 275 (129/168) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.988 -1.681 4.558) 4.957 1.542 ( 4.688 -0.133 -7.948) 9.229 1.681 ( -1.253 1.600 -4.950) 5.351 1.922 ( -0.374 4.736 -4.660) 6.654 2.015 ( -3.328 1.376 -5.243) 6.361 2.086 ( -1.962 3.634 -4.714) 6.267 2.233 ( 1.866 -1.833 5.292) 5.903 2.403 ( -0.159 -4.146 1.550) 4.429 2.789 ( 0.216 -6.954 2.437) 7.371 2.897 ( 3.541 -1.090 9.704) 10.387 2.902 ( -0.546 1.465 -3.088) 3.461 3.049 ( 1.256 -1.349 -0.762) 1.995 3.124 ( 1.350 3.746 2.270) 4.583 3.391 ( -2.548 5.855 -0.290) 6.392 3.480 ( 0.189 1.780 1.754) 2.507 3.614 ( 1.588 -2.858 -2.152) 3.914 4.055 ( -1.333 -3.821 3.902) 5.622 4.225 ( -1.736 -3.734 -1.109) 4.265 4.353 ( 3.526 4.433 -1.985) 6.003 4.426 ( -4.597 3.013 2.850) 6.191 4.608 ( 4.085 1.176 0.953) 4.356 4.774 ( -0.697 1.209 0.555) 1.502 4.952 ( 0.922 -0.055 -0.747) 1.188 5.023 ( -1.252 0.281 -0.925) 1.582 5.347 ( -0.951 -3.159 2.432) 4.098 5.482 ( 2.118 -2.714 0.646) 3.503 5.601 ( -0.611 -0.514 1.507) 1.705 5.676 ( -2.993 3.722 -6.760) 8.277 5.826 ( 2.233 1.095 4.394) 5.049 6.077 ( -3.000 -2.488 2.937) 4.880 6.247 ( 3.132 6.369 0.320) 7.105 6.372 ( 4.356 -1.940 -2.085) 5.205 6.623 ( -4.821 1.402 -4.314) 6.620 6.875 ( -5.608 0.020 -10.150) 11.596 7.177 ( 4.073 -1.589 7.082) 8.323 7.489 ( -0.127 -0.537 -0.036) 0.553 8.116 ( 3.735 -1.911 5.400) 6.838 8.398 ( 0.133 1.111 0.711) 1.326 8.457 ( -0.745 -0.198 0.134) 0.782 8.552 ( -2.598 -1.895 -4.636) 5.642 9.217 ( 5.009 -1.325 2.014) 5.559 9.301 ( 2.066 -0.554 -0.496) 2.196 9.346 ( 0.691 -3.388 0.321) 3.472 9.452 ( -1.192 -0.819 -0.663) 1.591 9.611 ( -7.394 -4.256 1.617) 8.683 9.735 ( -4.671 -2.395 -3.008) 6.050 9.937 ( 4.444 -0.495 -3.978) 5.984 10.136 ( -6.934 -1.130 -3.827) 8.000 10.500 ( 0.769 -0.471 3.348) 3.467 10.541 ( 2.145 -0.181 2.446) 3.258 10.669 ( 7.525 -0.163 -1.097) 7.606 10.817 ( -0.083 -1.730 1.659) 2.399 11.048 ( -6.016 -0.106 7.439) 9.568 11.267 ( -1.066 2.641 -4.104) 4.996 11.470 ( 2.119 2.622 5.787) 6.698 11.911 ( -3.291 2.324 -6.247) 7.434 12.365 ( 1.630 0.690 1.673) 2.436 12.507 ( 2.347 0.057 -4.394) 4.982 12.977 ( -1.432 -1.558 -0.065) 2.117 13.012 ( -2.286 -1.174 -0.062) 2.570 13.636 ( 0.212 -1.148 1.332) 1.771 13.775 ( -2.470 -1.115 -1.975) 3.353 13.811 ( 2.556 0.252 3.941) 4.704 14.122 ( -3.352 0.524 -2.651) 4.305 14.466 ( -1.070 1.331 7.440) 7.634 14.629 ( 4.474 0.228 9.361) 10.378 14.820 ( 11.740 6.366 -9.895) 16.621 15.125 ( 4.890 12.664 -2.141) 13.743 15.385 ( -0.307 -5.995 -0.564) 6.029 15.838 ( -10.714 -0.849 -2.019) 10.936 17.912 ( -0.055 -0.567 -0.174) 0.596 17.916 ( -0.261 -0.612 -0.101) 0.673 ======================= Grid point 276 (130/168) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.232 3.508 5.433) 6.584 1.488 ( 2.489 5.165 -6.970) 9.026 1.552 ( -4.108 8.106 -3.064) 9.590 1.759 ( -4.527 7.294 -9.920) 13.119 2.000 ( -1.932 -0.969 -1.669) 2.731 2.020 ( 0.133 -1.532 -4.045) 4.328 2.303 ( 4.792 1.450 8.104) 9.526 2.475 ( 0.552 -1.046 4.352) 4.510 2.818 ( -1.251 3.751 -2.093) 4.474 2.842 ( 0.276 2.920 -1.254) 3.190 3.003 ( -0.022 -2.714 7.932) 8.384 3.081 ( 0.618 -0.977 2.393) 2.657 3.150 ( 2.700 -4.517 -0.857) 5.332 3.221 ( -1.207 7.993 -1.753) 8.271 3.471 ( 1.327 2.018 2.083) 3.189 3.612 ( -2.516 1.096 -3.646) 4.564 4.123 ( 3.535 -1.148 2.851) 4.685 4.264 ( -2.900 -0.482 0.487) 2.980 4.353 ( 0.545 -2.862 0.790) 3.018 4.379 ( -0.573 -2.110 -0.855) 2.347 4.631 ( 3.814 0.373 0.924) 3.942 4.742 ( -2.354 1.092 -1.021) 2.789 4.966 ( 1.158 -1.141 1.915) 2.512 5.032 ( -1.488 -2.141 -0.119) 2.610 5.402 ( 0.345 -1.801 1.068) 2.122 5.542 ( -3.246 -1.233 -2.767) 4.440 5.594 ( 5.353 -0.463 -3.223) 6.266 5.619 ( -3.421 -2.503 2.578) 4.961 5.857 ( 3.460 0.707 5.444) 6.489 6.058 ( -4.953 1.353 -0.429) 5.152 6.223 ( 3.959 1.499 4.947) 6.511 6.402 ( 1.932 -0.099 -3.818) 4.280 6.552 ( -2.585 0.262 -3.005) 3.973 6.773 ( -6.068 0.085 -11.444) 12.954 7.293 ( 4.671 -3.454 6.974) 9.077 7.509 ( -0.944 -2.656 -2.063) 3.493 8.211 ( 4.603 -1.236 6.848) 8.343 8.377 ( -0.521 1.586 0.404) 1.718 8.455 ( -0.829 -0.368 0.297) 0.954 8.543 ( -1.678 -1.771 -5.082) 5.637 9.256 ( 1.407 1.030 3.003) 3.473 9.295 ( 1.543 2.391 -0.297) 2.861 9.387 ( 2.402 2.128 -0.739) 3.293 9.419 ( 0.585 2.557 -1.084) 2.838 9.646 ( -5.698 -4.840 2.885) 8.014 9.732 ( -4.247 -2.912 -2.258) 5.623 9.997 ( 4.439 -4.411 -3.553) 7.196 10.102 ( -4.155 -2.718 -4.954) 7.014 10.533 ( 0.499 -0.982 3.864) 4.018 10.575 ( 1.174 -1.262 1.330) 2.177 10.735 ( 8.409 0.217 1.156) 8.491 10.849 ( 0.716 -0.906 0.016) 1.155 11.012 ( -6.422 2.251 6.286) 9.264 11.173 ( -1.904 4.513 -4.121) 6.401 11.500 ( 2.732 -0.460 7.193) 7.708 11.824 ( -5.102 0.240 -7.216) 8.841 12.365 ( 0.823 1.705 2.657) 3.263 12.489 ( 1.662 1.159 -5.341) 5.713 12.995 ( -0.329 -1.249 0.227) 1.312 13.015 ( -1.547 -1.111 -0.228) 1.918 13.657 ( 0.521 0.077 2.138) 2.202 13.751 ( -1.088 0.818 -2.457) 2.809 13.843 ( 0.873 0.365 4.839) 4.931 14.043 ( -3.480 3.249 -3.937) 6.178 14.456 ( -3.476 3.055 10.556) 11.526 14.667 ( 6.234 4.116 5.555) 9.310 14.733 ( 7.881 7.436 -7.065) 12.935 14.935 ( 0.108 9.408 -3.368) 9.993 15.584 ( 5.075 -13.643 -0.316) 14.560 15.803 ( -10.477 -6.572 -3.334) 12.809 17.921 ( 0.024 -0.495 -0.011) 0.496 17.926 ( 0.010 -0.816 -0.307) 0.872 ======================= Grid point 277 (131/168) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.845 8.289 4.954) 9.694 1.361 ( -0.031 10.113 0.990) 10.162 1.367 ( 0.514 7.442 -3.199) 8.117 1.541 ( -4.431 8.040 -10.201) 13.724 1.945 ( -4.636 4.345 3.053) 7.049 2.052 ( 6.084 1.405 -7.228) 9.551 2.324 ( 2.267 3.895 8.534) 9.651 2.431 ( -2.850 7.690 1.437) 8.326 2.705 ( 0.051 5.792 1.754) 6.052 2.794 ( -0.440 1.070 -4.925) 5.059 3.042 ( 1.875 0.492 4.807) 5.183 3.096 ( -0.167 1.779 0.475) 1.849 3.185 ( 1.768 -2.604 2.682) 4.135 3.235 ( 0.765 -3.802 -2.337) 4.528 3.460 ( 1.632 2.037 2.337) 3.504 3.536 ( -3.230 1.110 -5.179) 6.203 4.176 ( 0.114 0.398 1.598) 1.650 4.194 ( 0.362 3.056 0.060) 3.078 4.431 ( -4.399 -6.787 2.765) 8.548 4.493 ( 5.186 -7.320 -3.060) 9.479 4.662 ( 3.454 0.150 1.171) 3.650 4.698 ( -3.330 0.237 -1.883) 3.833 5.032 ( 1.351 -3.776 2.818) 4.901 5.056 ( -1.903 -2.194 0.676) 2.982 5.423 ( -1.999 -0.960 2.463) 3.315 5.500 ( -1.462 -0.871 -4.793) 5.086 5.633 ( -0.485 0.199 2.231) 2.292 5.685 ( 5.157 -1.881 -2.224) 5.923 5.919 ( 3.937 -1.872 5.735) 7.204 6.017 ( -4.346 -3.094 -2.158) 5.755 6.249 ( -1.142 0.662 5.878) 6.024 6.380 ( 0.673 0.492 -5.664) 5.725 6.564 ( 0.600 -2.617 1.900) 3.290 6.691 ( -3.778 -1.740 -9.479) 10.352 7.420 ( 3.936 -3.639 6.659) 8.548 7.536 ( -2.311 -3.540 -3.984) 5.809 8.270 ( 3.143 1.760 5.369) 6.465 8.335 ( -1.040 2.767 -0.811) 3.065 8.469 ( 0.049 -1.237 1.503) 1.947 8.536 ( -1.450 -1.482 -4.602) 5.048 9.219 ( -2.743 5.052 1.529) 5.948 9.228 ( 0.880 7.581 0.944) 7.690 9.314 ( -0.379 3.742 1.147) 3.932 9.384 ( 4.012 3.582 -4.497) 7.011 9.706 ( -4.512 -3.951 3.513) 6.951 9.755 ( 0.779 -3.435 -0.893) 3.634 10.110 ( 4.003 -6.277 -2.909) 7.993 10.120 ( -2.690 -5.220 -3.862) 7.028 10.574 ( -0.638 -1.639 3.930) 4.306 10.618 ( 1.371 -2.259 0.202) 2.650 10.789 ( 4.235 0.938 2.379) 4.947 10.843 ( -1.244 1.159 -2.977) 3.428 10.949 ( -2.816 3.546 6.519) 7.937 11.055 ( -1.022 5.499 -3.346) 6.518 11.598 ( 4.260 -3.500 7.213) 9.079 11.758 ( -5.284 -1.609 -7.515) 9.327 12.345 ( -0.339 2.663 3.575) 4.471 12.444 ( 0.728 2.141 -5.653) 6.089 13.011 ( -0.011 -0.527 0.599) 0.798 13.024 ( 0.199 -0.712 -0.559) 0.926 13.656 ( 0.069 1.733 2.530) 3.068 13.707 ( -0.571 2.365 -2.143) 3.242 13.852 ( -0.004 1.651 4.442) 4.739 13.944 ( -1.292 3.492 -3.567) 5.157 14.404 ( -4.458 4.866 9.439) 11.518 14.616 ( 9.140 7.431 -9.517) 15.143 14.672 ( 2.763 5.114 6.491) 8.713 14.785 ( -0.808 6.009 -3.981) 7.253 15.867 ( -5.724 -15.046 0.441) 16.104 15.899 ( 1.931 -15.342 -2.232) 15.623 17.929 ( -0.026 -0.354 0.288) 0.457 17.938 ( -0.027 -0.773 -0.629) 0.997 ======================= Grid point 278 (132/168) ======================= q-point: (-0.09 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.883 8.161 5.719) 10.004 1.212 ( 0.710 7.944 -6.451) 10.258 1.261 ( 5.075 8.289 11.587) 15.124 1.346 ( 0.463 6.878 -8.853) 11.220 1.784 ( -6.168 10.740 1.729) 12.505 1.958 ( 9.336 13.259 -3.115) 16.513 2.245 ( -2.251 6.889 3.723) 8.148 2.312 ( 2.888 6.929 1.047) 7.580 2.641 ( -2.687 3.527 4.754) 6.501 2.755 ( 2.176 0.475 -7.716) 8.031 3.068 ( 2.171 1.919 3.239) 4.346 3.078 ( -0.484 0.212 -1.541) 1.629 3.253 ( 0.206 -3.415 2.315) 4.131 3.278 ( -1.081 -3.394 -3.624) 5.082 3.433 ( -2.847 -0.069 2.163) 3.576 3.521 ( 3.589 0.117 -2.932) 4.636 4.100 ( -7.214 0.369 1.207) 7.323 4.232 ( 6.881 0.188 -1.323) 7.009 4.518 ( -4.286 -5.358 2.845) 7.428 4.620 ( 4.267 -2.407 -2.535) 5.516 4.681 ( -2.222 -4.127 -1.394) 4.890 4.695 ( 1.195 -0.911 1.014) 1.813 5.081 ( -2.724 -3.101 1.869) 4.531 5.140 ( 2.859 -5.307 -0.111) 6.029 5.421 ( -5.778 0.413 3.885) 6.975 5.511 ( 0.307 -2.534 -2.607) 3.649 5.636 ( 1.263 -1.269 0.422) 1.839 5.683 ( 5.358 4.717 -3.424) 7.916 6.015 ( 0.426 -2.757 5.594) 6.251 6.079 ( 0.253 -6.376 -5.655) 8.526 6.244 ( -5.980 -0.820 6.749) 9.055 6.357 ( -0.719 -1.011 -4.089) 4.273 6.641 ( -2.582 -5.266 1.282) 6.003 6.726 ( 4.844 -6.555 -2.291) 8.467 7.538 ( -0.772 -4.424 1.041) 4.610 7.555 ( 0.032 -3.321 -0.653) 3.385 8.243 ( -2.051 4.389 -0.234) 4.850 8.269 ( 2.264 4.208 1.248) 4.939 8.501 ( 0.203 -0.665 2.701) 2.789 8.521 ( -1.700 -0.369 -3.603) 4.001 9.060 ( -1.328 11.376 1.852) 11.602 9.062 ( -2.772 11.906 0.618) 12.240 9.279 ( 0.388 1.678 0.101) 1.725 9.325 ( 2.337 3.367 -4.057) 5.767 9.732 ( -5.309 -2.690 2.944) 6.640 9.848 ( 6.120 -3.591 -1.017) 7.168 10.186 ( -2.141 -5.990 -0.242) 6.366 10.239 ( 2.619 -6.902 -2.450) 7.778 10.605 ( -2.350 -0.793 3.126) 3.990 10.666 ( 0.127 -1.502 -2.655) 3.053 10.740 ( -8.374 0.534 0.225) 8.394 10.804 ( -1.298 2.224 -0.980) 2.755 10.907 ( 0.709 3.287 3.923) 5.166 10.983 ( 7.594 4.469 0.020) 8.812 11.708 ( -3.057 -4.157 -0.974) 5.251 11.765 ( 4.500 -4.255 0.581) 6.221 12.306 ( -1.277 3.200 4.347) 5.547 12.377 ( -0.172 2.896 -5.205) 5.959 13.018 ( 0.435 0.202 0.530) 0.715 13.033 ( 1.303 -0.074 -0.651) 1.458 13.624 ( -0.002 2.922 1.588) 3.326 13.645 ( 0.127 3.703 -1.402) 3.961 13.831 ( -0.695 2.431 3.211) 4.087 13.879 ( 0.665 2.670 -1.682) 3.225 14.317 ( -1.486 7.209 7.158) 10.267 14.482 ( 4.893 10.471 -9.494) 14.957 14.646 ( 2.822 2.714 3.655) 5.356 14.688 ( 1.491 2.959 -4.399) 5.507 16.105 ( -6.704 -19.497 4.110) 21.023 16.219 ( 2.384 -18.836 -2.151) 19.108 17.935 ( -0.156 -0.212 0.616) 0.670 17.943 ( -0.351 -0.349 -0.871) 1.002 ======================= Grid point 282 (133/168) ======================= q-point: ( 0.27 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 6.369 0.000 -2.412) 6.811 1.264 ( 13.042 0.000 -9.361) 16.054 1.268 ( 20.891 0.000 -2.157) 21.002 1.679 ( 9.304 0.000 -9.375) 13.208 1.788 ( 13.328 0.000 2.084) 13.490 1.889 ( 6.850 0.000 10.942) 12.909 2.213 ( 9.524 0.000 3.789) 10.251 2.297 ( -6.978 -0.000 6.374) 9.450 2.402 ( -7.857 -0.000 3.434) 8.574 2.522 ( 2.358 0.000 -7.724) 8.076 2.845 ( -3.745 -0.000 -7.388) 8.283 2.919 ( 2.103 0.000 -3.027) 3.686 3.237 ( 2.398 0.000 -1.129) 2.650 3.314 ( -0.609 -0.000 2.859) 2.923 3.510 ( -6.684 -0.000 2.795) 7.245 3.694 ( -0.558 -0.000 7.171) 7.193 4.239 ( -4.061 -0.000 -3.473) 5.344 4.382 ( 5.958 0.000 -3.691) 7.008 4.460 ( -1.715 -0.000 2.134) 2.738 4.621 ( -2.121 -0.000 -2.341) 3.159 4.819 ( 2.613 0.000 -3.020) 3.993 4.867 ( 1.783 0.000 2.776) 3.299 5.100 ( 0.545 0.000 -2.401) 2.462 5.220 ( -4.721 -0.000 4.946) 6.838 5.332 ( 1.058 0.000 2.998) 3.179 5.565 ( -5.541 -0.000 -0.079) 5.542 5.675 ( -5.924 -0.000 1.524) 6.117 5.686 ( 1.450 0.000 0.211) 1.466 5.886 ( -0.138 -0.000 -3.549) 3.552 6.247 ( -8.675 -0.000 2.977) 9.172 6.350 ( -1.618 -0.000 -1.742) 2.378 6.372 ( 3.876 0.000 9.160) 9.947 6.852 ( -8.759 -0.000 -7.336) 11.425 7.018 ( -0.152 -0.000 -0.079) 0.172 7.313 ( -0.778 -0.000 -2.777) 2.884 7.731 ( -1.868 -0.000 -0.582) 1.957 7.996 ( 0.364 0.000 -0.176) 0.404 8.203 ( -1.530 -0.000 -0.707) 1.685 8.308 ( 0.615 0.000 0.319) 0.693 8.462 ( 2.870 0.000 2.748) 3.973 8.469 ( -2.029 -0.000 -2.417) 3.156 8.532 ( -2.644 -0.000 1.089) 2.859 9.246 ( 4.743 0.000 1.183) 4.888 9.366 ( 4.259 0.000 -3.303) 5.390 9.760 ( -4.397 -0.000 1.736) 4.727 9.796 ( -3.091 -0.000 -5.141) 5.999 10.150 ( -4.503 -0.000 1.979) 4.918 10.206 ( -6.986 -0.000 -0.182) 6.988 10.333 ( -4.576 -0.000 -3.242) 5.608 10.404 ( -5.569 -0.000 -0.700) 5.613 10.622 ( -1.263 -0.000 1.075) 1.659 10.878 ( 2.215 0.000 -0.128) 2.219 11.069 ( -3.281 -0.000 5.620) 6.508 11.160 ( 3.564 0.000 4.533) 5.766 11.817 ( 8.520 0.000 -6.316) 10.606 12.165 ( 3.839 0.000 2.249) 4.449 12.261 ( 2.636 0.000 -1.214) 2.902 12.538 ( 7.260 0.000 -0.706) 7.295 12.984 ( -1.439 -0.000 -0.930) 1.714 13.004 ( -2.746 -0.000 -1.204) 2.998 13.540 ( 1.298 0.000 -0.706) 1.477 13.685 ( -2.927 -0.000 0.496) 2.969 13.776 ( 5.392 0.000 -2.332) 5.875 13.874 ( 2.168 0.000 0.812) 2.315 13.958 ( 3.681 0.000 1.155) 3.858 14.230 ( 6.142 0.000 -0.151) 6.144 14.568 ( 2.013 0.000 -1.007) 2.251 15.217 ( 9.041 0.000 14.908) 17.436 16.444 ( -10.593 -0.000 -7.191) 12.803 16.742 ( -4.743 -0.000 -3.009) 5.617 17.878 ( -1.056 -0.000 0.239) 1.082 17.930 ( -0.480 -0.000 -0.453) 0.660 ======================= Grid point 283 (134/168) ======================= q-point: ( 0.36 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 7.131 0.239 -2.174) 7.459 1.295 ( 13.816 1.983 -9.117) 16.671 1.434 ( 16.925 -3.439 -4.373) 17.816 1.792 ( 6.323 -6.307 -3.211) 9.490 1.903 ( 10.478 -1.007 1.239) 10.599 1.978 ( 2.918 -0.929 6.645) 7.317 2.259 ( -4.147 -0.662 4.748) 6.339 2.339 ( 0.347 -7.228 -0.093) 7.237 2.382 ( -6.429 -2.412 3.090) 7.530 2.582 ( 8.019 -3.978 -1.079) 9.016 2.725 ( -4.823 5.078 -2.954) 7.601 2.957 ( 3.006 -3.455 -3.979) 6.067 3.268 ( 2.260 -0.818 -1.530) 2.849 3.323 ( 3.341 1.091 2.530) 4.331 3.448 ( -6.147 1.960 0.890) 6.513 3.723 ( -2.162 -0.950 4.025) 4.667 4.163 ( -3.124 3.690 -3.036) 5.709 4.276 ( 0.623 7.827 0.221) 7.855 4.550 ( -0.132 -4.152 -1.647) 4.468 4.588 ( -0.942 -0.005 -2.236) 2.427 4.787 ( 1.413 3.276 -1.229) 3.773 4.909 ( 1.366 -1.229 0.248) 1.855 5.089 ( 0.094 0.421 -1.496) 1.557 5.154 ( -4.789 5.610 4.107) 8.442 5.336 ( 0.737 2.562 3.130) 4.111 5.524 ( -2.213 -0.009 1.169) 2.502 5.644 ( 0.319 -1.721 -1.113) 2.074 5.764 ( -4.413 -5.777 0.389) 7.280 5.906 ( -2.213 -4.401 -1.631) 5.189 6.102 ( -6.656 9.103 -0.289) 11.280 6.223 ( 1.136 8.489 0.265) 8.569 6.479 ( 0.457 -1.374 4.300) 4.537 6.698 ( -3.107 4.343 -1.993) 5.700 7.029 ( -1.497 -0.061 -2.887) 3.253 7.310 ( 1.589 2.149 4.905) 5.586 7.696 ( -1.082 2.616 0.618) 2.897 8.033 ( -0.951 -3.647 -1.584) 4.088 8.229 ( -1.094 -5.971 -2.465) 6.552 8.391 ( 0.837 -1.749 -1.261) 2.313 8.454 ( -3.237 -3.796 -1.066) 5.101 8.488 ( 0.985 -6.289 1.837) 6.626 8.611 ( -1.642 -7.773 1.186) 8.033 9.291 ( 4.785 0.264 1.482) 5.016 9.381 ( 3.957 0.256 -3.058) 5.007 9.682 ( -2.835 3.129 -1.274) 4.411 9.780 ( -5.356 -1.570 -3.905) 6.812 10.087 ( -2.579 2.950 1.496) 4.195 10.200 ( -8.275 -2.972 3.018) 9.296 10.299 ( -3.036 -1.583 -2.120) 4.027 10.391 ( -2.051 -3.123 -1.716) 4.111 10.617 ( -0.676 0.558 2.386) 2.541 10.877 ( 1.533 1.363 -1.240) 2.398 11.050 ( -4.885 1.718 7.479) 9.097 11.217 ( 2.351 -1.711 2.687) 3.960 11.813 ( 9.149 5.534 -4.660) 11.664 12.213 ( 4.097 -0.641 0.145) 4.149 12.283 ( 2.739 -0.748 -1.084) 3.039 12.523 ( 2.783 3.740 -5.737) 7.392 12.964 ( -2.462 0.277 -0.397) 2.509 12.984 ( -1.966 -0.655 -1.086) 2.340 13.530 ( 0.053 0.402 -1.497) 1.551 13.674 ( -3.057 -1.181 0.389) 3.300 13.798 ( 4.565 0.593 -1.820) 4.950 13.916 ( 1.585 -2.920 -0.154) 3.326 14.053 ( 3.724 -5.543 2.353) 7.080 14.355 ( 5.343 -8.664 -2.759) 10.546 14.599 ( 5.503 1.014 7.358) 9.244 15.332 ( 6.178 2.585 16.999) 18.271 16.257 ( -8.306 7.916 -9.519) 14.908 16.601 ( -3.595 9.611 -5.422) 11.605 17.876 ( -0.938 -0.488 0.390) 1.127 17.923 ( -0.693 0.032 -0.555) 0.888 ======================= Grid point 284 (135/168) ======================= q-point: ( 0.45 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 8.962 2.538 -2.709) 9.700 1.352 ( 9.337 -2.095 -7.757) 12.318 1.606 ( 14.213 -3.885 -2.408) 14.930 1.906 ( 1.117 -6.275 -4.549) 7.830 1.947 ( 0.739 -0.638 -3.018) 3.172 2.067 ( 6.260 -1.302 4.786) 7.987 2.252 ( -6.131 -0.934 2.012) 6.520 2.387 ( -8.296 -3.335 3.534) 9.614 2.519 ( 4.476 -9.400 -3.533) 10.994 2.594 ( -4.618 3.174 -1.548) 5.813 2.728 ( 4.710 -5.200 5.986) 9.223 3.064 ( 5.474 -6.445 0.276) 8.460 3.269 ( 0.722 1.061 -0.913) 1.575 3.350 ( 0.228 2.881 6.631) 7.234 3.376 ( 1.975 0.295 -5.196) 5.567 3.709 ( -2.362 1.682 -0.889) 3.033 4.056 ( -2.248 4.740 1.368) 5.421 4.186 ( -2.001 2.361 0.465) 3.129 4.519 ( -3.335 1.887 -0.550) 3.871 4.617 ( 1.156 -1.082 -3.292) 3.653 4.733 ( 1.215 4.038 0.303) 4.228 4.897 ( -1.361 2.344 -1.652) 3.174 5.039 ( 0.152 5.877 3.737) 6.966 5.090 ( -0.933 -0.918 -0.937) 1.609 5.311 ( 0.855 1.794 2.138) 2.919 5.514 ( 0.745 2.715 2.065) 3.491 5.696 ( 0.887 -3.522 -2.887) 4.640 5.772 ( -3.792 1.341 -0.869) 4.114 5.907 ( -4.568 4.067 -1.975) 6.427 5.958 ( -5.366 -2.728 0.157) 6.022 6.156 ( 7.158 1.580 -0.002) 7.331 6.471 ( -2.255 1.511 0.296) 2.730 6.659 ( -0.270 0.711 3.437) 3.520 6.981 ( -2.271 1.613 -4.264) 5.093 7.285 ( 1.308 5.604 8.276) 10.080 7.636 ( -0.331 4.333 1.194) 4.507 8.059 ( -0.393 -1.129 -2.189) 2.494 8.333 ( 0.040 -7.208 -2.816) 7.738 8.396 ( 0.923 -0.816 -1.120) 1.665 8.463 ( -4.435 -2.172 -0.741) 4.993 8.719 ( 0.787 -14.427 0.306) 14.451 8.770 ( -1.914 -12.908 1.215) 13.106 9.318 ( 2.978 0.931 1.131) 3.319 9.392 ( 2.987 0.314 -2.220) 3.735 9.614 ( -1.951 1.837 -1.946) 3.312 9.726 ( -6.033 -0.092 -3.287) 6.871 10.035 ( -0.082 2.762 0.436) 2.798 10.176 ( -8.448 -0.753 1.773) 8.664 10.326 ( -1.182 -4.021 -0.213) 4.196 10.458 ( -0.031 -6.034 -1.417) 6.198 10.616 ( 0.587 1.066 2.843) 3.093 10.848 ( 0.683 2.238 -1.373) 2.713 11.022 ( -5.017 1.428 9.711) 11.023 11.271 ( 1.495 -1.972 -0.734) 2.581 11.744 ( 6.979 8.061 -0.603) 10.679 12.201 ( 2.545 4.602 -5.979) 7.963 12.321 ( 2.421 -1.353 -0.045) 2.774 12.464 ( 1.289 0.408 -4.778) 4.965 12.940 ( -3.060 -0.182 0.329) 3.083 12.979 ( -1.513 -0.753 -1.005) 1.966 13.534 ( -0.110 -1.444 -0.217) 1.464 13.679 ( -2.796 -1.901 0.481) 3.415 13.814 ( 3.785 0.347 -1.576) 4.115 13.985 ( 0.312 -4.435 -1.533) 4.703 14.209 ( 2.919 -7.853 4.099) 9.327 14.507 ( 4.302 -5.544 -3.555) 7.867 14.709 ( 9.457 -2.227 9.159) 13.352 15.382 ( 1.935 4.906 17.451) 18.230 15.977 ( -4.474 12.941 -11.305) 17.757 16.342 ( -3.469 13.520 -6.668) 15.469 17.882 ( -0.810 -0.740 0.392) 1.165 17.912 ( -0.746 0.217 -0.567) 0.961 ======================= Grid point 285 (136/168) ======================= q-point: ( 0.55 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 4.776 1.058 -0.049) 4.892 1.424 ( 6.099 -3.500 -7.908) 10.583 1.732 ( 10.188 0.813 0.081) 10.221 1.951 ( 1.170 -1.679 -4.852) 5.265 2.010 ( -1.766 -9.081 -4.619) 10.340 2.129 ( 3.746 1.120 1.051) 4.049 2.203 ( -5.251 0.937 -0.290) 5.341 2.334 ( -10.122 1.625 -2.455) 10.542 2.552 ( -2.079 -3.510 2.420) 4.743 2.673 ( 2.204 -6.584 -2.445) 7.361 2.902 ( 5.029 -6.324 4.616) 9.305 3.184 ( 2.926 3.169 1.621) 4.608 3.269 ( 0.484 -2.765 5.744) 6.393 3.296 ( -1.337 1.011 2.311) 2.855 3.443 ( 7.404 -3.226 -1.199) 8.165 3.629 ( -3.609 3.130 -3.916) 6.177 4.002 ( -1.845 1.543 4.858) 5.420 4.155 ( -2.514 -0.402 -0.970) 2.725 4.461 ( -2.448 1.939 0.704) 3.202 4.577 ( -2.026 3.638 -3.387) 5.368 4.686 ( 3.029 3.462 2.600) 5.284 4.842 ( -0.862 1.594 -0.750) 1.961 4.982 ( 2.364 3.998 1.680) 4.939 5.081 ( -0.734 0.958 -2.240) 2.545 5.316 ( 0.867 0.437 3.443) 3.577 5.472 ( 2.216 3.334 1.682) 4.342 5.652 ( -1.530 3.771 -3.055) 5.088 5.746 ( -2.594 -0.503 -4.421) 5.150 5.852 ( -0.466 -0.142 0.483) 0.686 5.971 ( -3.696 -3.151 1.394) 5.053 6.246 ( 6.637 -3.718 -0.592) 7.630 6.422 ( -1.368 2.320 -0.533) 2.746 6.657 ( -2.302 0.869 2.510) 3.515 6.903 ( -3.380 1.919 -6.298) 7.400 7.241 ( 1.834 5.213 8.820) 10.409 7.559 ( -0.115 4.456 -0.470) 4.482 8.072 ( 1.898 -0.822 1.516) 2.564 8.413 ( 0.406 -0.923 -0.461) 1.109 8.425 ( 1.100 -3.805 -2.011) 4.442 8.454 ( -5.359 -2.342 -2.612) 6.405 8.952 ( 1.208 -12.809 0.871) 12.895 9.015 ( -0.333 -14.838 -0.559) 14.852 9.319 ( 0.360 1.067 1.357) 1.763 9.395 ( 0.856 0.011 -1.673) 1.880 9.572 ( -0.602 0.870 -1.512) 1.845 9.675 ( -5.116 -0.862 -2.742) 5.868 9.995 ( 1.761 2.528 -0.696) 3.158 10.121 ( -7.014 0.214 -0.309) 7.024 10.400 ( -0.139 -4.509 1.616) 4.792 10.559 ( 0.025 -6.166 -3.047) 6.878 10.613 ( 3.268 2.291 3.428) 5.261 10.808 ( -0.386 1.673 -0.763) 1.879 11.023 ( -4.807 -0.188 11.288) 12.270 11.294 ( 0.579 -0.871 -3.546) 3.697 11.660 ( 4.925 7.827 3.418) 9.859 12.067 ( -1.176 6.426 -8.460) 10.689 12.359 ( 2.045 -0.912 0.822) 2.385 12.477 ( 2.071 -1.630 -3.905) 4.711 12.929 ( -2.465 -0.916 0.755) 2.736 12.976 ( -1.475 -0.882 -0.960) 1.969 13.569 ( 0.102 -2.291 1.147) 2.564 13.696 ( -2.698 -2.401 -0.045) 3.612 13.833 ( 3.625 0.264 -0.235) 3.642 14.043 ( -1.615 -4.149 -3.484) 5.654 14.389 ( 1.564 -7.259 7.725) 10.715 14.597 ( 6.228 -1.336 3.197) 7.127 14.862 ( 10.286 -2.799 -0.153) 10.661 15.369 ( -2.829 4.782 14.431) 15.463 15.662 ( 0.530 15.495 -11.433) 19.264 16.050 ( -5.893 12.542 -6.040) 15.117 17.891 ( -0.627 -0.780 0.223) 1.025 17.903 ( -0.436 -0.003 -0.458) 0.632 ======================= Grid point 286 (137/168) ======================= q-point: ( 0.64 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.129 -1.365 3.282) 3.557 1.487 ( 3.942 -3.899 -9.194) 10.737 1.737 ( 3.715 4.525 0.412) 5.869 1.938 ( -0.344 2.808 -7.543) 8.056 2.048 ( -3.842 2.614 -0.703) 4.700 2.096 ( -2.334 0.844 -3.148) 4.008 2.210 ( 1.937 -2.752 1.755) 3.795 2.280 ( -3.619 -6.599 -1.404) 7.656 2.661 ( -0.355 -8.071 2.343) 8.412 2.775 ( -0.652 -6.224 -2.737) 6.830 3.023 ( 4.633 -0.843 3.700) 5.989 3.111 ( 1.261 5.741 1.876) 6.170 3.237 ( 3.461 5.543 4.299) 7.822 3.395 ( -3.043 -3.531 3.282) 5.701 3.515 ( -2.104 2.770 -0.905) 3.595 3.570 ( 3.836 -3.690 -2.214) 5.765 4.015 ( -1.177 -1.704 4.998) 5.410 4.148 ( -1.565 -2.176 -2.588) 3.726 4.420 ( -0.948 1.989 0.437) 2.246 4.470 ( -1.822 4.827 -1.446) 5.359 4.683 ( 2.726 2.404 4.843) 6.055 4.808 ( 0.299 2.048 -1.231) 2.408 4.960 ( 2.035 1.062 -0.050) 2.296 5.027 ( -1.723 2.319 -2.321) 3.705 5.331 ( 0.340 -0.028 4.968) 4.980 5.470 ( 1.607 0.108 -0.267) 1.633 5.601 ( 0.556 0.317 -1.782) 1.893 5.671 ( -3.955 2.053 -5.481) 7.064 5.884 ( 3.573 -0.064 3.997) 5.362 6.010 ( -3.614 -3.545 0.846) 5.133 6.326 ( 1.780 -0.144 -0.404) 1.831 6.382 ( 2.784 0.903 -1.666) 3.368 6.608 ( -4.005 2.590 1.177) 4.913 6.805 ( -3.942 1.950 -8.690) 9.740 7.242 ( 3.341 1.611 8.495) 9.270 7.489 ( -0.710 2.159 -3.194) 3.920 8.142 ( 4.345 -2.212 6.114) 7.820 8.411 ( -2.498 0.073 -0.415) 2.534 8.438 ( -1.353 -0.861 -0.949) 1.863 8.470 ( -0.553 -2.650 -4.451) 5.209 9.178 ( 3.397 -10.653 1.009) 11.227 9.227 ( 0.962 -9.847 -1.099) 9.955 9.307 ( -1.452 0.491 1.974) 2.499 9.392 ( -2.290 -1.411 -1.564) 3.112 9.560 ( 1.016 0.305 -0.016) 1.061 9.647 ( -4.429 -1.701 -2.920) 5.571 9.973 ( 2.660 1.722 -0.720) 3.250 10.063 ( -4.469 0.260 -2.604) 5.179 10.478 ( -0.025 -3.160 2.920) 4.303 10.577 ( 0.450 0.630 -1.401) 1.600 10.684 ( 5.764 -3.241 0.440) 6.627 10.788 ( -1.909 -0.770 -0.103) 2.061 11.045 ( -4.686 -0.035 11.194) 12.135 11.274 ( 0.190 1.105 -5.069) 5.192 11.600 ( 3.545 5.907 6.701) 9.610 11.911 ( -3.423 4.891 -8.463) 10.357 12.390 ( 1.456 -0.226 1.713) 2.260 12.494 ( 1.500 -0.867 -4.615) 4.929 12.941 ( -0.981 -1.574 0.787) 2.015 12.977 ( -1.204 -1.007 -0.840) 1.781 13.617 ( 0.234 -2.086 2.220) 3.055 13.713 ( -2.439 -2.230 -1.246) 3.532 13.862 ( 3.702 0.256 2.284) 4.358 14.059 ( -3.109 -2.264 -5.250) 6.508 14.517 ( -1.230 -1.506 11.750) 11.910 14.700 ( 7.001 -1.608 6.594) 9.751 14.934 ( 9.668 2.201 -6.749) 11.995 15.294 ( -9.283 4.873 -6.572) 12.373 15.423 ( 10.575 10.118 4.760) 15.391 15.787 ( -10.263 7.496 -4.394) 13.447 17.900 ( -0.266 -0.689 -0.013) 0.738 17.903 ( -0.162 -0.492 -0.228) 0.566 ======================= Grid point 287 (138/168) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -2.574 -1.396 5.323) 6.076 1.515 ( 2.781 -0.584 -8.934) 9.375 1.659 ( 0.059 6.829 1.884) 7.085 1.787 ( -3.002 5.557 -10.112) 11.923 1.992 ( 0.326 2.556 1.601) 3.033 2.026 ( -1.312 2.626 -1.647) 3.366 2.321 ( 2.252 -5.602 4.639) 7.614 2.399 ( -1.018 -7.633 -1.640) 7.873 2.803 ( 0.781 -5.427 0.990) 5.572 2.837 ( -2.389 -3.531 -1.776) 4.618 3.032 ( 1.284 3.524 3.797) 5.337 3.072 ( 1.586 0.016 0.066) 1.587 3.203 ( 4.930 4.810 4.435) 8.192 3.310 ( -3.540 6.045 -5.015) 8.615 3.512 ( -0.392 -0.253 5.155) 5.176 3.605 ( -0.063 0.827 -3.092) 3.201 4.092 ( -0.198 -4.698 5.499) 7.236 4.194 ( 0.749 -5.007 -3.089) 5.931 4.361 ( -5.355 3.261 0.936) 6.339 4.400 ( 4.871 2.699 -2.260) 6.010 4.677 ( -0.635 1.794 4.813) 5.176 4.763 ( 1.747 3.143 -2.944) 4.647 4.966 ( 0.133 -0.358 0.725) 0.819 4.991 ( -0.667 -0.842 -1.204) 1.614 5.385 ( 1.053 -2.188 5.273) 5.805 5.466 ( -4.189 -1.291 -2.068) 4.846 5.583 ( -3.151 0.941 -0.132) 3.292 5.629 ( 6.058 -0.246 -4.609) 7.617 5.937 ( 5.130 0.725 5.716) 7.715 6.017 ( -4.878 -0.920 -1.242) 5.117 6.302 ( 0.598 2.358 2.379) 3.402 6.390 ( 0.015 -0.109 -4.605) 4.607 6.551 ( -1.328 1.929 3.521) 4.228 6.699 ( -3.070 1.846 -9.468) 10.123 7.313 ( 3.522 -1.805 7.397) 8.389 7.450 ( -1.466 -0.871 -5.121) 5.398 8.255 ( 5.017 -2.140 7.768) 9.492 8.381 ( -2.853 -0.137 -2.380) 3.718 8.441 ( -0.592 -0.288 0.210) 0.691 8.476 ( -0.909 -1.603 -4.224) 4.609 9.286 ( -1.723 0.676 2.400) 3.031 9.320 ( 2.450 -1.416 -0.702) 2.916 9.375 ( 0.656 -4.860 0.622) 4.944 9.407 ( -0.280 -4.328 -1.898) 4.734 9.579 ( 1.144 -0.839 2.424) 2.809 9.633 ( -3.805 -2.630 -2.941) 5.481 9.973 ( -0.528 -0.781 0.342) 1.002 10.031 ( 1.783 -0.402 -4.957) 5.283 10.529 ( -0.203 -1.520 2.862) 3.247 10.572 ( 0.862 -0.176 -0.616) 1.074 10.777 ( 3.676 -1.700 0.523) 4.084 10.798 ( -1.922 -3.160 -1.558) 4.013 11.048 ( -3.558 1.877 10.291) 11.049 11.215 ( 0.716 3.235 -5.435) 6.365 11.588 ( 3.382 2.926 8.914) 9.973 11.773 ( -4.651 2.772 -8.497) 10.075 12.404 ( 0.531 0.727 2.518) 2.674 12.484 ( 0.454 0.196 -5.038) 5.062 12.972 ( 0.822 -1.747 0.464) 1.985 12.984 ( -0.600 -1.145 -0.607) 1.428 13.659 ( -0.335 -1.278 3.094) 3.364 13.720 ( -1.251 -1.285 -2.113) 2.772 13.900 ( 3.336 0.751 4.568) 5.706 14.022 ( -3.134 0.267 -6.069) 6.836 14.536 ( -4.700 3.025 13.076) 14.221 14.788 ( 5.946 1.369 4.604) 7.644 14.881 ( 7.371 6.854 -8.059) 12.894 15.066 ( -2.372 8.590 -10.522) 13.789 15.499 ( 8.747 -3.412 6.822) 11.605 15.616 ( -12.854 -1.138 -3.656) 13.412 17.911 ( -0.086 -0.682 -0.040) 0.689 17.912 ( 0.042 -0.701 -0.144) 0.717 ======================= Grid point 288 (139/168) ======================= q-point: (-0.18 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -3.867 3.095 4.409) 6.631 1.465 ( 2.763 4.512 -4.133) 6.714 1.539 ( -1.053 7.935 3.912) 8.910 1.634 ( 2.944 8.080 -6.711) 10.908 1.971 ( -1.810 1.757 0.523) 2.576 2.015 ( 1.927 -3.081 -1.292) 3.856 2.435 ( 1.140 -0.578 4.728) 4.898 2.455 ( -1.791 -2.317 -2.498) 3.849 2.794 ( -0.675 3.975 1.463) 4.289 2.826 ( 0.188 4.381 -2.187) 4.900 3.050 ( -1.209 -2.900 4.001) 5.087 3.116 ( 1.954 -1.669 -0.671) 2.656 3.186 ( -0.532 2.066 -2.623) 3.381 3.193 ( 3.386 1.322 -0.554) 3.677 3.527 ( -0.078 3.471 1.411) 3.747 3.534 ( -0.605 1.629 -0.804) 1.915 4.155 ( -5.515 -0.168 1.594) 5.743 4.263 ( 4.438 -0.203 -0.818) 4.517 4.309 ( -3.622 -4.243 1.996) 5.925 4.427 ( 5.512 -2.771 -2.743) 6.752 4.659 ( -3.644 0.293 -0.035) 3.656 4.720 ( 3.221 2.340 -0.333) 3.995 4.990 ( -1.632 -2.430 0.708) 3.011 5.016 ( 0.909 -1.959 0.645) 2.254 5.406 ( -4.832 0.799 3.187) 5.843 5.463 ( -0.906 -2.014 -0.429) 2.250 5.576 ( -1.944 -2.043 -0.010) 2.821 5.696 ( 9.031 -3.115 -3.695) 10.243 5.958 ( -4.239 1.143 -2.497) 5.051 5.991 ( 5.171 1.419 4.826) 7.214 6.279 ( -3.136 1.637 4.187) 5.482 6.353 ( -1.819 -0.207 -5.389) 5.692 6.553 ( -1.567 -0.123 3.720) 4.038 6.634 ( 2.866 0.247 -4.628) 5.449 7.400 ( -1.618 -3.308 2.396) 4.393 7.454 ( 1.431 -2.667 -2.444) 3.890 8.320 ( -1.687 0.257 1.279) 2.132 8.363 ( 2.548 1.036 -0.121) 2.754 8.450 ( -0.484 -1.620 2.153) 2.738 8.479 ( -0.802 -1.508 -2.945) 3.404 9.256 ( -2.989 2.104 2.169) 4.250 9.323 ( 1.189 1.073 -1.691) 2.329 9.359 ( -3.309 3.289 1.110) 4.796 9.454 ( 3.437 2.244 -4.182) 5.859 9.637 ( -0.944 -3.138 4.884) 5.882 9.688 ( 2.542 -5.760 0.490) 6.315 9.997 ( -2.263 -4.175 -2.548) 5.389 10.066 ( 5.439 -2.262 -2.487) 6.395 10.560 ( -0.798 -1.345 2.030) 2.563 10.589 ( 0.592 -1.320 -0.359) 1.490 10.762 ( -8.705 -0.815 -1.653) 8.897 10.854 ( 3.631 -0.609 -0.847) 3.778 11.030 ( -0.934 3.300 8.345) 9.022 11.137 ( 3.211 4.373 -3.924) 6.695 11.627 ( -0.623 -0.036 4.254) 4.300 11.683 ( 0.410 -0.057 -3.059) 3.087 12.396 ( -0.341 1.807 3.200) 3.691 12.448 ( -0.594 1.197 -4.980) 5.157 13.000 ( 0.371 -1.106 -0.234) 1.189 13.012 ( 1.908 -1.283 -0.005) 2.299 13.674 ( -2.229 -0.009 2.146) 3.094 13.718 ( 0.506 0.380 -0.820) 1.035 13.918 ( 1.085 2.241 3.926) 4.649 13.963 ( 0.359 1.604 -3.763) 4.106 14.482 ( -6.102 4.145 10.226) 12.609 14.741 ( 5.082 5.586 -13.544) 15.508 14.806 ( 1.456 6.432 5.531) 8.607 14.893 ( 3.302 7.244 -6.960) 10.574 15.588 ( -11.352 -9.995 -0.284) 15.128 15.717 ( 7.341 -9.521 3.736) 12.589 17.921 ( -0.174 -0.617 0.050) 0.643 17.924 ( 0.078 -0.652 -0.138) 0.671 ======================= Grid point 289 (140/168) ======================= q-point: (-0.09 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -1.381 5.135 4.119) 6.726 1.339 ( 1.385 9.748 -5.214) 11.141 1.435 ( 3.587 6.923 0.789) 7.837 1.534 ( 8.804 8.095 6.683) 13.700 1.896 ( -4.750 5.991 2.840) 8.156 2.078 ( 4.677 -1.273 -4.943) 6.923 2.342 ( -3.145 5.428 -1.713) 6.503 2.478 ( 3.933 4.363 3.077) 6.631 2.725 ( -1.226 4.982 -1.446) 5.331 2.737 ( -0.796 3.082 1.747) 3.631 3.079 ( -0.084 2.142 -2.466) 3.267 3.101 ( 1.101 -0.673 0.705) 1.471 3.205 ( 0.952 -2.914 -2.281) 3.821 3.235 ( 1.365 -2.446 -1.990) 3.436 3.419 ( -3.919 3.320 -0.819) 5.201 3.565 ( 4.386 0.142 3.101) 5.373 4.066 ( -7.092 2.211 -0.435) 7.441 4.298 ( 3.697 0.683 0.114) 3.761 4.393 ( -1.511 -6.038 2.001) 6.537 4.539 ( 3.381 -6.762 -2.610) 7.998 4.624 ( -2.498 -0.570 -2.627) 3.670 4.720 ( 1.739 1.108 1.579) 2.597 5.018 ( -2.211 -2.730 -0.505) 3.549 5.082 ( 1.364 -3.937 1.451) 4.412 5.378 ( -4.855 -0.572 3.222) 5.855 5.476 ( -1.831 -0.905 0.542) 2.113 5.599 ( -0.859 -2.269 -1.462) 2.832 5.790 ( 9.248 1.102 -4.104) 10.178 5.911 ( -4.020 -2.576 -3.857) 6.138 6.048 ( 4.280 -2.129 4.039) 6.258 6.240 ( -4.641 1.189 3.805) 6.118 6.323 ( -2.225 0.093 -1.961) 2.968 6.557 ( -2.373 -2.337 -0.169) 3.335 6.704 ( 7.402 -2.757 3.871) 8.796 7.414 ( -5.597 -3.650 -5.428) 8.609 7.534 ( 2.607 -3.358 3.214) 5.329 8.265 ( -3.958 2.088 -3.892) 5.930 8.350 ( 1.884 2.481 0.891) 3.240 8.481 ( -1.175 -0.897 -2.191) 2.643 8.503 ( 0.906 -1.420 4.384) 4.696 9.174 ( -3.040 6.119 1.093) 6.920 9.247 ( -3.021 7.735 2.463) 8.661 9.300 ( 0.762 1.509 -1.996) 2.616 9.388 ( 1.701 4.225 -3.842) 5.958 9.684 ( -2.375 -1.433 4.535) 5.316 9.831 ( 6.923 -4.641 0.865) 8.380 10.057 ( -1.589 -6.243 -2.273) 6.831 10.157 ( 4.053 -4.647 -0.563) 6.192 10.581 ( -1.919 -1.462 0.864) 2.562 10.616 ( -1.292 -1.340 -2.069) 2.783 10.669 ( -10.276 0.348 -0.799) 10.313 10.842 ( -0.551 2.673 -1.419) 3.076 10.994 ( 0.599 3.956 4.209) 5.808 11.105 ( 6.470 3.224 0.020) 7.229 11.600 ( -4.097 -2.584 -5.034) 6.985 11.774 ( 6.610 -2.858 6.658) 9.808 12.369 ( -0.874 2.802 3.753) 4.764 12.391 ( -0.805 1.962 -4.506) 4.980 13.022 ( 1.086 -0.784 -0.125) 1.345 13.039 ( 1.665 -0.171 -0.253) 1.693 13.651 ( -1.833 1.148 0.190) 2.171 13.696 ( -0.399 2.303 0.710) 2.443 13.883 ( -0.242 2.311 -0.129) 2.327 13.941 ( 3.032 3.366 2.262) 5.064 14.419 ( -2.528 3.515 5.765) 7.210 14.625 ( 5.118 6.073 -12.192) 14.551 14.688 ( -2.359 5.869 -3.657) 7.306 14.807 ( 5.488 5.569 0.252) 7.823 15.753 ( -7.927 -17.043 3.318) 19.087 15.968 ( 3.973 -12.856 2.149) 13.627 17.930 ( -0.292 -0.581 0.175) 0.673 17.931 ( -0.257 -0.307 -0.124) 0.419 ======================= Grid point 294 (141/168) ======================= q-point: ( 0.36 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.371 0.000 -1.040) 6.455 1.392 ( 11.500 0.000 -4.853) 12.482 1.491 ( 14.602 0.000 -9.297) 17.310 1.799 ( 5.394 0.000 0.869) 5.463 1.977 ( 8.340 0.000 1.642) 8.500 1.998 ( -0.462 -0.000 3.685) 3.713 2.199 ( -9.389 -0.000 1.901) 9.580 2.286 ( 5.299 0.000 -1.547) 5.520 2.383 ( -4.577 -0.000 12.516) 13.327 2.576 ( 6.087 0.000 -10.866) 12.455 2.734 ( -2.453 -0.000 3.404) 4.196 2.934 ( 4.599 0.000 -3.932) 6.051 3.278 ( 3.672 0.000 -3.312) 4.945 3.360 ( 3.465 0.000 -3.788) 5.133 3.429 ( -5.979 -0.000 7.395) 9.510 3.713 ( -3.080 -0.000 5.267) 6.101 4.143 ( -4.805 -0.000 -2.245) 5.304 4.414 ( 4.430 0.000 -7.539) 8.744 4.455 ( -1.170 -0.000 1.530) 1.926 4.560 ( -2.140 -0.000 -2.984) 3.672 4.831 ( 2.701 0.000 -3.001) 4.037 4.884 ( -1.712 -0.000 0.766) 1.876 5.089 ( 0.581 0.000 -1.824) 1.914 5.191 ( -4.745 -0.000 3.903) 6.144 5.412 ( 2.009 0.000 7.137) 7.415 5.493 ( -4.244 -0.000 2.206) 4.783 5.608 ( -4.231 -0.000 1.925) 4.648 5.682 ( 0.610 0.000 -3.547) 3.599 5.852 ( -0.656 -0.000 -1.974) 2.080 6.105 ( -8.553 -0.000 -1.740) 8.728 6.322 ( 0.382 0.000 -1.712) 1.754 6.481 ( -2.360 -0.000 4.076) 4.710 6.710 ( -0.570 -0.000 0.803) 0.985 7.018 ( 0.159 0.000 -0.407) 0.437 7.381 ( 4.534 0.000 7.314) 8.606 7.722 ( -0.078 -0.000 2.114) 2.116 7.969 ( -1.257 -0.000 -3.630) 3.842 8.145 ( -2.780 -0.000 -4.562) 5.343 8.328 ( 0.925 0.000 1.225) 1.535 8.412 ( -2.210 -0.000 -1.441) 2.639 8.502 ( -2.057 -0.000 0.776) 2.198 8.520 ( 2.297 0.000 0.105) 2.300 9.345 ( 5.326 0.000 1.836) 5.633 9.400 ( 4.129 0.000 -3.382) 5.337 9.690 ( -3.094 -0.000 -6.227) 6.953 9.701 ( -4.493 -0.000 0.514) 4.522 10.116 ( -6.831 -0.000 4.851) 8.378 10.122 ( -1.592 -0.000 1.987) 2.546 10.249 ( -3.296 -0.000 -1.315) 3.548 10.337 ( -1.326 -0.000 -3.112) 3.382 10.630 ( -0.694 -0.000 3.764) 3.827 10.885 ( 0.729 0.000 -3.006) 3.093 11.066 ( -3.965 -0.000 7.584) 8.557 11.227 ( -0.006 -0.000 3.684) 3.684 11.923 ( 11.398 0.000 -6.369) 13.057 12.228 ( 1.621 0.000 1.806) 2.426 12.297 ( 3.471 0.000 -1.337) 3.719 12.525 ( -0.420 -0.000 -11.758) 11.766 12.947 ( -3.387 -0.000 -0.243) 3.395 12.959 ( -0.413 -0.000 -1.122) 1.196 13.526 ( -0.133 -0.000 -2.466) 2.470 13.634 ( -3.120 -0.000 -0.490) 3.158 13.829 ( 3.350 0.000 -1.523) 3.680 13.896 ( 0.713 0.000 -0.630) 0.951 14.057 ( 4.069 0.000 4.007) 5.710 14.299 ( 3.789 0.000 -2.154) 4.359 14.720 ( 9.638 0.000 14.051) 17.038 15.476 ( 1.027 0.000 20.702) 20.728 16.215 ( -4.559 -0.000 -13.882) 14.612 16.620 ( -4.917 -0.000 -7.637) 9.083 17.868 ( -0.749 -0.000 0.627) 0.977 17.916 ( -0.450 -0.000 -0.876) 0.985 ======================= Grid point 295 (142/168) ======================= q-point: ( 0.45 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 4.978 0.006 0.282) 4.986 1.429 ( 11.682 3.001 -6.154) 13.541 1.598 ( 10.957 -5.296 -6.970) 14.025 1.824 ( -3.163 -2.559 -2.294) 4.671 1.969 ( 2.463 3.192 0.170) 4.036 2.079 ( 1.904 -2.940 4.811) 5.951 2.172 ( -7.823 -2.850 1.574) 8.473 2.363 ( 2.108 1.569 -0.324) 2.648 2.410 ( 3.795 -5.972 4.484) 8.376 2.557 ( -6.175 -1.168 -2.892) 6.918 2.757 ( 5.510 0.358 4.643) 7.214 3.005 ( 5.657 -4.887 -1.285) 7.585 3.273 ( 0.571 0.361 -4.714) 4.762 3.334 ( -3.358 -0.549 -5.334) 6.327 3.449 ( 4.175 1.614 7.582) 8.804 3.717 ( -2.419 0.627 3.926) 4.653 4.082 ( -4.067 1.572 -1.054) 4.486 4.279 ( 0.919 8.256 -2.829) 8.776 4.508 ( -2.220 -0.384 -1.030) 2.477 4.560 ( 0.490 -3.715 -5.057) 6.294 4.801 ( 1.326 3.013 -0.354) 3.311 4.887 ( -1.971 -0.508 -2.036) 2.879 5.079 ( -0.048 0.562 -0.343) 0.661 5.133 ( -2.807 3.616 2.850) 5.392 5.397 ( 1.558 4.292 5.782) 7.368 5.523 ( -0.993 -2.844 3.232) 4.419 5.636 ( -0.735 -3.406 -0.177) 3.489 5.694 ( -1.898 -2.706 -3.451) 4.778 5.859 ( -2.373 -2.440 -0.215) 3.411 5.979 ( -5.284 6.157 -2.804) 8.584 6.273 ( 4.257 4.735 -0.477) 6.385 6.451 ( -5.418 0.062 -0.710) 5.465 6.717 ( 2.393 2.614 6.160) 7.107 6.992 ( -0.720 2.596 -2.456) 3.645 7.433 ( 4.048 3.570 10.007) 11.370 7.712 ( 0.855 3.087 2.667) 4.168 7.982 ( -1.813 -4.408 -3.832) 6.116 8.159 ( -2.715 -7.600 -5.957) 10.031 8.388 ( -0.003 -0.017 -1.151) 1.151 8.401 ( -1.580 -3.179 -0.850) 3.650 8.519 ( 0.941 -7.561 1.800) 7.829 8.605 ( -0.625 -6.775 0.486) 6.821 9.374 ( 3.432 1.674 1.137) 3.984 9.415 ( 3.717 0.426 -2.612) 4.563 9.621 ( -1.424 1.743 -3.652) 4.290 9.671 ( -4.951 -0.076 -1.715) 5.240 10.074 ( -3.013 1.883 3.568) 5.036 10.128 ( -2.707 -0.242 1.433) 3.073 10.252 ( -1.916 -3.218 0.489) 3.777 10.350 ( -0.414 -4.221 -3.341) 5.399 10.647 ( 0.142 0.005 4.682) 4.684 10.864 ( -0.109 0.908 -3.519) 3.636 11.063 ( -3.001 1.633 9.023) 9.648 11.247 ( -0.655 -1.134 1.168) 1.755 11.922 ( 8.442 6.056 -3.050) 10.828 12.243 ( 1.160 1.231 -4.300) 4.620 12.320 ( 2.786 -0.476 -0.707) 2.913 12.442 ( -1.139 0.558 -9.482) 9.566 12.919 ( -2.958 0.140 0.645) 3.031 12.955 ( -0.600 -0.364 -1.330) 1.503 13.518 ( 0.331 -0.378 -0.452) 0.676 13.624 ( -2.705 -1.695 -0.942) 3.329 13.840 ( 2.661 0.364 -1.179) 2.933 13.916 ( -0.364 -2.543 -1.554) 3.002 14.146 ( 3.038 -4.716 4.909) 7.454 14.380 ( 2.238 -7.416 -4.152) 8.788 14.871 ( 12.508 1.665 17.181) 21.317 15.528 ( -6.949 3.121 20.910) 22.255 16.073 ( 2.501 7.064 -15.337) 17.070 16.463 ( -5.223 8.340 -9.594) 13.743 17.870 ( -0.568 -0.376 0.713) 0.986 17.907 ( -0.416 0.127 -0.937) 1.033 ======================= Grid point 296 (143/168) ======================= q-point: ( 0.55 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 1.650 1.650 0.765) 2.456 1.429 ( 8.442 2.091 -7.016) 11.174 1.769 ( 9.200 -8.062 -4.485) 13.029 1.834 ( -6.648 -4.845 -1.922) 8.448 1.942 ( 3.301 2.297 -0.008) 4.021 2.130 ( -5.455 -0.136 -2.290) 5.918 2.165 ( -1.631 -2.316 4.009) 4.909 2.313 ( -2.235 3.421 -1.944) 4.525 2.503 ( -5.758 -1.555 3.490) 6.910 2.583 ( 5.563 -5.339 -3.519) 8.476 2.871 ( 6.693 -5.043 7.028) 10.937 3.145 ( -0.566 -7.435 3.205) 8.116 3.224 ( -3.038 0.661 -3.544) 4.714 3.333 ( 1.849 -1.924 -3.218) 4.180 3.487 ( 5.462 1.681 4.367) 7.193 3.661 ( -2.160 4.451 -1.461) 5.159 4.037 ( -2.060 1.374 3.395) 4.202 4.165 ( -0.163 3.998 -1.697) 4.346 4.476 ( -2.079 1.398 0.697) 2.600 4.572 ( -0.774 -0.269 -5.524) 5.585 4.765 ( 1.063 2.557 1.892) 3.354 4.845 ( -1.723 1.399 -2.218) 3.138 5.058 ( -1.422 1.950 2.352) 3.370 5.094 ( 1.723 1.536 -1.020) 2.523 5.385 ( 3.271 2.801 6.385) 7.701 5.552 ( 1.156 1.715 2.363) 3.140 5.661 ( -1.985 -0.602 -5.005) 5.417 5.684 ( -2.641 0.053 -3.711) 4.555 5.854 ( -0.972 1.679 -0.328) 1.967 5.883 ( -3.567 -2.982 0.289) 4.658 6.272 ( 6.342 0.464 0.877) 6.419 6.407 ( -4.424 -0.261 -1.643) 4.726 6.706 ( 0.748 3.474 5.724) 6.737 6.906 ( -1.675 3.821 -5.004) 6.515 7.412 ( 2.867 7.076 10.196) 12.738 7.646 ( 0.409 5.846 -0.981) 5.942 8.048 ( 0.824 -4.637 0.607) 4.749 8.258 ( -3.533 -8.731 -6.608) 11.505 8.400 ( -0.249 -1.724 0.021) 1.742 8.413 ( -0.152 -0.980 -1.074) 1.462 8.740 ( 1.230 -13.810 0.512) 13.874 8.756 ( -1.422 -12.529 0.995) 12.649 9.360 ( 0.779 2.212 1.205) 2.636 9.410 ( 1.746 1.328 -2.331) 3.201 9.584 ( 1.361 0.949 -2.260) 2.804 9.621 ( -4.257 0.184 -1.973) 4.696 10.035 ( -2.833 1.869 3.488) 4.867 10.104 ( 0.499 1.523 -2.058) 2.609 10.324 ( -0.386 -5.212 2.237) 5.685 10.427 ( -0.442 -6.577 -3.511) 7.469 10.674 ( 1.794 0.389 4.486) 4.847 10.821 ( -1.209 1.654 -3.018) 3.648 11.059 ( -2.817 1.468 11.001) 11.451 11.262 ( -0.131 -1.222 -2.616) 2.890 11.850 ( 5.061 7.860 1.922) 9.544 12.122 ( -2.009 6.523 -10.650) 12.649 12.356 ( 1.378 -1.520 0.958) 2.264 12.437 ( 1.305 -2.239 -4.598) 5.278 12.906 ( -2.055 -0.415 1.508) 2.582 12.951 ( -0.418 -0.498 -1.537) 1.669 13.544 ( 0.668 -1.733 1.616) 2.462 13.634 ( -2.164 -2.278 -1.430) 3.452 13.857 ( 2.674 -0.323 -0.025) 2.694 13.949 ( -1.763 -3.287 -2.899) 4.724 14.304 ( 1.779 -7.956 6.867) 10.659 14.517 ( 1.703 -9.300 -5.438) 10.907 15.007 ( 12.953 3.662 15.240) 20.333 15.453 ( -14.024 5.276 12.615) 19.587 15.890 ( 8.832 12.364 -9.412) 17.873 16.190 ( -5.643 12.558 -10.280) 17.182 17.877 ( -0.400 -0.556 0.583) 0.899 17.898 ( -0.214 0.090 -0.785) 0.819 ======================= Grid point 297 (144/168) ======================= q-point: ( 0.64 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -1.282 1.034 1.584) 2.285 1.430 ( 3.283 -0.891 -7.166) 7.932 1.832 ( -2.058 0.960 2.611) 3.460 1.937 ( 1.480 -3.057 -7.052) 7.827 1.968 ( -0.025 -3.121 2.276) 3.863 2.041 ( -3.695 -1.601 -4.181) 5.805 2.193 ( -2.348 0.005 1.960) 3.059 2.233 ( 1.376 2.385 -1.599) 3.184 2.549 ( -3.520 -5.702 5.566) 8.711 2.676 ( 3.892 -4.196 -5.353) 7.836 3.044 ( 6.234 -3.729 5.650) 9.202 3.153 ( -4.772 0.037 -4.077) 6.277 3.292 ( -2.590 -6.261 5.888) 8.977 3.356 ( 3.196 1.308 0.487) 3.487 3.536 ( 4.649 -1.803 -0.679) 5.032 3.547 ( -3.044 4.375 -2.045) 5.709 4.029 ( -0.177 0.809 4.879) 4.949 4.117 ( 0.181 0.897 -2.830) 2.975 4.440 ( -2.734 1.723 2.907) 4.346 4.521 ( 0.787 2.765 -3.995) 4.922 4.749 ( -1.196 1.538 4.054) 4.498 4.815 ( 1.039 0.253 -2.613) 2.823 5.020 ( 0.098 2.941 1.539) 3.321 5.057 ( 0.607 3.363 -2.299) 4.118 5.396 ( 2.419 2.714 6.669) 7.596 5.508 ( -0.804 3.949 -1.728) 4.385 5.608 ( 1.428 1.077 -2.835) 3.352 5.635 ( -2.527 0.243 -4.240) 4.942 5.898 ( 1.533 -3.524 1.913) 4.293 5.916 ( -2.213 -3.501 0.059) 4.142 6.322 ( 0.065 -0.822 1.814) 1.993 6.382 ( 0.128 -0.599 -3.160) 3.219 6.667 ( -0.598 4.243 5.714) 7.142 6.801 ( -1.177 3.794 -6.642) 7.739 7.368 ( 2.834 5.440 9.026) 10.913 7.528 ( -0.800 5.480 -5.418) 7.748 8.156 ( 4.080 -3.931 5.994) 8.248 8.304 ( -4.849 -4.729 -7.005) 9.743 8.428 ( -0.258 -1.517 -0.131) 1.544 8.431 ( 0.757 -0.970 -0.383) 1.288 8.977 ( 0.356 -13.985 1.233) 14.044 8.999 ( -0.671 -14.655 -0.824) 14.693 9.334 ( -0.396 1.632 1.929) 2.557 9.384 ( 0.711 1.256 -2.343) 2.752 9.577 ( -1.867 -0.253 -0.308) 1.909 9.593 ( 1.586 0.055 -2.400) 2.877 9.997 ( -3.830 1.588 3.222) 5.251 10.076 ( 4.898 2.239 -4.176) 6.815 10.427 ( 0.168 -4.924 3.435) 6.006 10.511 ( -0.254 -5.304 -4.388) 6.888 10.707 ( 3.440 -0.082 3.417) 4.849 10.767 ( -2.777 1.209 -2.322) 3.817 11.076 ( -2.830 0.475 11.909) 12.250 11.259 ( 0.748 -0.329 -5.231) 5.294 11.770 ( 3.113 7.192 6.104) 9.934 11.937 ( -3.830 6.424 -9.657) 12.215 12.394 ( 0.568 -1.193 1.698) 2.152 12.459 ( 0.758 -1.631 -4.583) 4.923 12.918 ( -0.274 -1.208 1.621) 2.040 12.952 ( 0.169 -0.708 -1.534) 1.697 13.594 ( 0.229 -2.196 2.900) 3.645 13.652 ( -1.176 -2.399 -1.950) 3.308 13.894 ( 3.024 -0.864 1.940) 3.695 13.966 ( -2.931 -2.803 -4.451) 6.022 14.480 ( -1.226 -6.970 9.544) 11.882 14.661 ( 2.397 -8.728 -5.702) 10.697 15.084 ( 11.198 6.078 10.852) 16.736 15.268 ( -13.918 5.761 -1.984) 15.193 15.723 ( 9.482 13.073 1.828) 16.253 15.874 ( -6.726 12.926 -9.421) 17.352 17.887 ( -0.162 -0.637 0.319) 0.731 17.896 ( 0.113 -0.228 -0.471) 0.535 ======================= Grid point 299 (145/168) ======================= q-point: (-0.27 -0.64 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -3.350 -1.691 3.916) 5.423 1.452 ( 2.055 -3.428 -7.771) 8.738 1.768 ( -4.665 5.837 1.688) 7.660 1.823 ( -2.448 3.894 -2.483) 5.227 2.034 ( 1.314 -0.223 2.560) 2.886 2.069 ( 0.642 1.962 -1.616) 2.622 2.224 ( -2.226 -6.268 0.024) 6.652 2.268 ( 3.957 -5.064 -0.390) 6.438 2.676 ( -1.896 -8.575 3.309) 9.385 2.749 ( 2.162 -4.463 -3.225) 5.916 3.089 ( -3.200 1.880 -1.757) 4.106 3.113 ( 2.402 1.746 1.647) 3.396 3.324 ( -3.971 1.809 -3.346) 5.499 3.356 ( 5.704 3.969 3.697) 7.871 3.494 ( -3.593 -2.142 4.325) 6.017 3.590 ( 1.466 -1.546 -3.927) 4.467 4.064 ( 1.424 -1.495 4.792) 5.218 4.116 ( 1.510 -2.665 -3.844) 4.915 4.389 ( -3.560 3.342 2.598) 5.531 4.473 ( 3.060 3.075 -1.676) 4.650 4.714 ( -4.375 1.867 2.785) 5.512 4.820 ( 4.033 1.359 -2.298) 4.837 4.967 ( -2.495 2.236 -0.563) 3.397 5.003 ( 2.005 2.123 -0.365) 2.943 5.411 ( 2.221 0.739 6.078) 6.513 5.424 ( -4.142 1.230 -3.015) 5.269 5.569 ( -2.484 1.083 -1.744) 3.222 5.651 ( 5.932 -0.569 -2.507) 6.465 5.943 ( -4.083 -2.853 -1.346) 5.160 5.989 ( 4.910 -2.187 2.942) 6.127 6.313 ( -4.471 -0.384 1.646) 4.780 6.373 ( -0.791 1.382 -2.667) 3.106 6.622 ( -0.006 3.801 6.093) 7.181 6.708 ( 2.043 3.524 -5.395) 6.760 7.366 ( 1.739 2.034 6.042) 6.608 7.422 ( -0.433 1.961 -6.272) 6.586 8.275 ( -1.026 -2.829 1.395) 3.317 8.310 ( 1.984 -3.224 -0.402) 3.807 8.439 ( -1.084 -0.516 -1.190) 1.690 8.444 ( 0.705 -0.249 0.190) 0.771 9.198 ( -1.743 -9.490 0.977) 9.699 9.203 ( -2.734 -11.451 -0.849) 11.803 9.327 ( 0.247 0.082 1.640) 1.661 9.377 ( 4.087 -1.044 -1.792) 4.583 9.564 ( -2.824 -1.319 -0.784) 3.214 9.613 ( 4.244 0.222 0.458) 4.274 9.953 ( -3.535 1.131 1.006) 3.845 10.072 ( 7.230 1.798 -3.257) 8.132 10.511 ( -0.019 -2.706 3.284) 4.256 10.553 ( 0.267 -1.988 -3.257) 3.825 10.718 ( -5.297 -0.296 -1.764) 5.591 10.773 ( 3.767 -2.764 1.034) 4.786 11.101 ( -2.185 0.825 10.955) 11.201 11.235 ( 1.762 1.145 -5.957) 6.317 11.718 ( 0.761 5.183 6.735) 8.533 11.768 ( -2.712 4.809 -6.591) 8.598 12.419 ( -0.169 -0.475 1.967) 2.031 12.457 ( -0.509 -0.575 -4.215) 4.284 12.956 ( 1.640 -1.695 1.016) 2.568 12.963 ( 0.925 -0.951 -1.259) 1.829 13.637 ( -1.858 -1.852 2.307) 3.494 13.683 ( 1.315 -2.110 -0.714) 2.587 13.944 ( 0.858 -0.734 1.399) 1.798 13.959 ( -0.709 -1.663 -2.976) 3.482 14.574 ( -6.250 -1.084 11.504) 13.137 14.779 ( 2.726 -5.708 -9.089) 11.074 15.050 ( -5.776 5.319 -5.712) 9.710 15.079 ( 4.001 7.422 3.336) 9.068 15.577 ( -8.205 9.467 -6.663) 14.189 15.653 ( 9.827 6.499 7.509) 13.971 17.899 ( 0.038 -0.646 0.085) 0.652 17.903 ( 0.314 -0.532 -0.142) 0.634 ======================= Grid point 300 (146/168) ======================= q-point: (-0.18 -0.64 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -4.443 -1.072 4.658) 6.526 1.491 ( 2.648 -1.862 -4.612) 5.635 1.640 ( -2.727 4.715 -0.273) 5.454 1.767 ( 3.847 4.719 3.645) 7.096 2.004 ( -0.242 2.966 -1.159) 3.194 2.026 ( 1.717 2.856 2.023) 3.898 2.332 ( -2.982 -7.009 -2.874) 8.142 2.390 ( 1.115 -5.644 1.544) 5.957 2.800 ( -0.552 -5.172 -0.304) 5.210 2.833 ( 0.634 -3.031 2.464) 3.957 3.031 ( -1.897 1.175 -0.176) 2.238 3.080 ( -0.163 0.558 -3.781) 3.825 3.213 ( -1.656 4.117 -5.508) 7.074 3.331 ( 5.473 6.678 3.741) 9.410 3.533 ( -3.206 -1.200 1.338) 3.675 3.571 ( -0.021 1.121 -0.706) 1.325 4.109 ( -0.879 -1.639 0.804) 2.026 4.216 ( 4.098 -6.781 -1.714) 8.106 4.296 ( -4.377 4.701 2.366) 6.845 4.451 ( 2.882 1.318 -0.796) 3.268 4.656 ( -3.031 2.060 -0.672) 3.726 4.788 ( 2.329 3.193 -1.341) 4.174 4.948 ( -1.124 -1.191 -0.110) 1.641 5.003 ( 1.128 -0.528 0.587) 1.377 5.370 ( -4.596 -0.348 -0.573) 4.645 5.466 ( 0.580 0.099 8.091) 8.113 5.540 ( -0.738 -1.117 -2.933) 3.224 5.698 ( 7.233 -1.440 -4.310) 8.542 5.921 ( -3.849 0.130 -3.636) 5.297 6.075 ( 5.909 -0.797 3.394) 6.861 6.277 ( -5.681 2.100 -1.018) 6.141 6.313 ( -4.301 -0.051 1.052) 4.428 6.582 ( 0.137 3.215 1.694) 3.637 6.694 ( 6.414 1.628 3.603) 7.535 7.327 ( -4.082 -0.375 -5.436) 6.808 7.444 ( 3.446 -1.599 2.676) 4.647 8.260 ( -4.335 -1.886 -6.475) 8.017 8.410 ( 2.830 0.563 1.381) 3.199 8.432 ( 0.181 -1.974 3.989) 4.454 8.456 ( 1.014 -0.497 0.251) 1.156 9.254 ( -3.314 -1.463 -0.024) 3.623 9.283 ( -5.014 -2.139 -0.196) 5.455 9.366 ( 2.116 -1.989 -0.780) 3.007 9.450 ( 0.749 -2.290 -1.553) 2.867 9.619 ( 4.686 -5.902 1.767) 7.740 9.649 ( 3.210 0.202 3.589) 4.820 9.927 ( -1.132 -0.968 -1.959) 2.461 10.096 ( 6.849 0.734 -0.941) 6.952 10.543 ( -1.092 -0.327 1.605) 1.969 10.571 ( 0.738 -1.655 -2.166) 2.824 10.667 ( -8.709 -0.606 -1.308) 8.828 10.846 ( 2.240 -2.295 -0.984) 3.355 11.109 ( -1.230 2.167 7.732) 8.124 11.201 ( 3.454 2.083 -3.491) 5.335 11.606 ( -5.059 2.936 -6.456) 8.712 11.747 ( 4.201 1.673 8.199) 9.364 12.423 ( -0.743 0.129 -1.330) 1.529 12.435 ( -1.185 0.761 -0.150) 1.416 12.984 ( 1.246 -1.160 -0.686) 1.836 13.008 ( 2.982 -1.573 0.198) 3.377 13.651 ( -2.312 -1.062 0.816) 2.672 13.724 ( 0.960 -0.725 1.539) 1.954 13.920 ( -1.576 -0.386 -5.383) 5.622 14.008 ( 3.511 0.121 5.241) 6.309 14.538 ( -8.793 3.221 9.807) 13.559 14.747 ( -1.410 2.280 -14.357) 14.605 14.938 ( 0.549 2.548 -13.979) 14.220 14.998 ( 2.570 7.516 8.382) 11.548 15.399 ( -8.268 -0.183 -1.039) 8.335 15.729 ( 9.319 -1.076 7.958) 12.302 17.909 ( 0.040 -0.568 0.032) 0.570 17.915 ( 0.274 -0.597 0.020) 0.657 ======================= Grid point 301 (147/168) ======================= q-point: (-0.09 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -3.343 2.209 3.875) 5.574 1.474 ( 2.774 5.397 -3.941) 7.236 1.576 ( 4.091 3.982 4.389) 7.201 1.750 ( 7.204 5.509 7.070) 11.499 1.948 ( -1.891 2.756 1.628) 3.718 2.048 ( 3.171 -2.517 -0.332) 4.062 2.338 ( -2.947 0.101 -7.112) 7.699 2.468 ( -3.215 -3.424 0.104) 4.698 2.796 ( -1.413 4.114 1.217) 4.517 2.839 ( 1.795 3.506 1.512) 4.219 3.055 ( -0.997 -4.513 1.642) 4.905 3.113 ( 1.668 -0.555 -5.958) 6.212 3.135 ( -2.093 -3.325 -3.980) 5.592 3.255 ( 4.484 7.369 0.176) 8.628 3.464 ( -2.267 3.803 -2.130) 4.913 3.599 ( 1.192 -1.128 4.118) 4.434 4.073 ( -3.760 4.059 -0.356) 5.545 4.249 ( -3.678 -2.496 2.780) 5.243 4.345 ( 3.451 -5.117 -1.937) 6.469 4.475 ( 2.107 -2.320 -0.701) 3.212 4.596 ( -0.786 1.277 -3.742) 4.031 4.763 ( 0.917 1.630 0.939) 2.093 4.961 ( -0.937 -1.484 -1.036) 2.038 5.041 ( 0.409 -2.516 1.203) 2.819 5.358 ( -2.899 -1.086 2.534) 4.001 5.458 ( -4.292 1.662 5.168) 6.921 5.564 ( 0.912 -1.290 -1.234) 2.004 5.797 ( 9.034 -5.025 -6.218) 12.063 5.862 ( -2.584 0.877 -4.056) 4.888 6.103 ( 2.093 4.085 2.004) 5.008 6.207 ( -3.219 -1.916 -3.216) 4.937 6.306 ( -3.499 -0.582 4.238) 5.526 6.550 ( 0.670 1.952 3.137) 3.755 6.767 ( 7.324 -0.316 7.600) 10.559 7.287 ( -5.525 -2.521 -6.360) 8.794 7.512 ( 1.837 -2.485 1.547) 3.456 8.215 ( -4.705 -0.537 -6.641) 8.156 8.389 ( 0.179 1.158 -0.556) 1.297 8.459 ( -0.520 -0.418 0.061) 0.670 8.520 ( 3.055 -1.059 5.369) 6.267 9.225 ( -3.058 1.595 -1.039) 3.601 9.262 ( -3.376 0.610 0.640) 3.490 9.352 ( -0.343 2.517 -1.899) 3.171 9.450 ( 1.193 2.327 -0.985) 2.794 9.687 ( 0.325 -0.179 5.508) 5.521 9.800 ( 7.253 -6.676 2.396) 10.145 9.952 ( 0.690 -3.518 -3.877) 5.281 10.146 ( 5.188 -1.107 1.262) 5.453 10.535 ( -3.529 -0.650 -1.471) 3.878 10.580 ( -5.882 -0.163 -2.417) 6.362 10.602 ( -2.891 -0.746 0.822) 3.096 10.858 ( -0.351 0.753 -2.331) 2.474 11.078 ( -1.020 3.444 3.584) 5.074 11.194 ( 4.722 2.107 0.452) 5.190 11.522 ( -3.162 -0.404 -4.998) 5.927 11.820 ( 5.072 -1.245 7.644) 9.258 12.385 ( -1.755 1.053 -3.580) 4.124 12.422 ( 0.184 1.623 2.822) 3.261 13.012 ( 1.328 -1.170 -0.455) 1.827 13.049 ( 2.336 -0.497 -0.121) 2.391 13.647 ( -1.729 0.014 0.321) 1.758 13.723 ( -1.524 1.226 1.469) 2.446 13.898 ( 0.225 0.406 -2.865) 2.902 14.043 ( 3.872 2.403 5.552) 7.182 14.460 ( -5.386 2.313 4.134) 7.173 14.638 ( -0.083 1.829 -10.629) 10.785 14.786 ( -0.244 7.777 -9.694) 12.431 14.931 ( 3.658 5.074 -1.468) 6.425 15.462 ( -6.134 -11.522 4.421) 13.782 15.878 ( 5.485 -5.020 6.415) 9.821 17.918 ( -0.144 -0.501 0.090) 0.529 17.925 ( -0.024 -0.366 0.060) 0.371 ======================= Grid point 307 (148/168) ======================= q-point: ( 0.45 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.651 0.000 2.566) 3.690 1.528 ( 9.184 0.000 -0.867) 9.225 1.579 ( 7.768 0.000 -10.622) 13.160 1.738 ( -7.088 -0.000 -4.459) 8.374 2.028 ( -2.197 -0.000 4.569) 5.070 2.084 ( -1.292 -0.000 7.999) 8.102 2.097 ( -2.461 -0.000 -1.060) 2.679 2.385 ( 9.987 0.000 -11.465) 15.205 2.439 ( -2.169 -0.000 9.980) 10.213 2.479 ( -4.807 -0.000 2.381) 5.364 2.834 ( 5.820 0.000 4.679) 7.468 2.998 ( 6.292 0.000 -2.184) 6.661 3.239 ( -1.345 -0.000 -8.873) 8.975 3.263 ( -5.531 -0.000 -5.561) 7.843 3.541 ( 5.504 0.000 8.450) 10.084 3.730 ( -2.290 -0.000 5.769) 6.207 4.060 ( -3.476 -0.000 1.198) 3.677 4.365 ( 1.064 0.000 -12.344) 12.390 4.453 ( -0.791 -0.000 1.387) 1.597 4.506 ( -0.820 -0.000 -2.680) 2.803 4.845 ( -3.727 -0.000 1.073) 3.878 4.850 ( 3.140 0.000 -2.555) 4.048 5.091 ( 1.255 0.000 -0.234) 1.277 5.140 ( -4.607 -0.000 1.502) 4.846 5.484 ( -0.768 -0.000 4.167) 4.237 5.488 ( -1.514 -0.000 7.131) 7.290 5.590 ( 0.516 0.000 -0.073) 0.521 5.653 ( 1.015 0.000 -4.875) 4.980 5.840 ( 0.070 0.000 1.150) 1.152 5.979 ( -3.963 -0.000 -3.349) 5.189 6.337 ( 3.380 0.000 -1.332) 3.633 6.396 ( -6.645 -0.000 -0.803) 6.693 6.814 ( 3.935 0.000 8.091) 8.997 7.007 ( -0.498 -0.000 -1.898) 1.962 7.549 ( 5.326 0.000 10.223) 11.527 7.770 ( 1.973 0.000 4.836) 5.223 7.890 ( -2.675 -0.000 -6.607) 7.128 8.034 ( -3.591 -0.000 -7.608) 8.413 8.355 ( 0.856 0.000 1.295) 1.552 8.380 ( -0.890 -0.000 -0.311) 0.943 8.485 ( -1.182 -0.000 1.262) 1.729 8.535 ( 0.751 0.000 -1.641) 1.805 9.418 ( 0.896 0.000 1.149) 1.457 9.434 ( 3.805 0.000 -2.647) 4.636 9.611 ( 0.607 0.000 -4.083) 4.128 9.629 ( -4.511 -0.000 -0.585) 4.549 10.085 ( -3.292 -0.000 5.191) 6.147 10.132 ( 1.591 0.000 -0.121) 1.596 10.207 ( -2.037 -0.000 1.328) 2.432 10.294 ( 0.290 0.000 -4.225) 4.235 10.670 ( -0.013 -0.000 5.673) 5.673 10.848 ( -0.620 -0.000 -4.728) 4.769 11.106 ( -0.542 -0.000 8.459) 8.477 11.233 ( -2.207 -0.000 1.577) 2.712 12.025 ( 7.553 0.000 -3.980) 8.538 12.229 ( -1.988 -0.000 -3.576) 4.091 12.342 ( 4.025 0.000 -2.105) 4.542 12.378 ( -2.722 -0.000 -8.859) 9.268 12.903 ( -2.654 -0.000 1.451) 3.025 12.943 ( 0.027 0.000 -1.732) 1.732 13.519 ( 1.026 0.000 -0.087) 1.030 13.582 ( -2.549 -0.000 -1.023) 2.747 13.855 ( 1.655 0.000 -0.939) 1.903 13.882 ( -0.973 -0.000 -1.244) 1.579 14.149 ( 2.190 0.000 4.943) 5.406 14.306 ( 0.669 0.000 -3.764) 3.823 15.085 ( 14.778 0.000 19.398) 24.385 15.555 ( -15.746 -0.000 16.218) 22.604 16.118 ( 10.221 0.000 -11.871) 15.665 16.434 ( -7.087 -0.000 -11.821) 13.783 17.867 ( -0.279 -0.000 0.937) 0.978 17.901 ( -0.182 -0.000 -1.134) 1.149 ======================= Grid point 308 (149/168) ======================= q-point: ( 0.55 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -2.401 1.425 3.195) 4.243 1.514 ( 5.005 3.630 -6.815) 9.202 1.670 ( 5.317 -5.833 -2.818) 8.381 1.684 ( -8.323 -3.904 -3.555) 9.857 2.016 ( -0.447 1.604 4.203) 4.521 2.088 ( -0.954 0.040 -1.873) 2.103 2.124 ( -4.079 -2.580 8.498) 9.773 2.339 ( -1.627 2.127 -8.619) 9.025 2.469 ( -0.865 -0.175 6.110) 6.174 2.544 ( 6.787 -3.809 -1.178) 7.872 2.908 ( 6.037 -1.402 7.173) 9.480 3.044 ( -1.999 -2.572 -3.870) 5.059 3.180 ( -1.759 -1.017 -2.644) 3.335 3.248 ( -2.144 -4.476 -6.477) 8.160 3.597 ( 4.772 2.916 7.277) 9.178 3.705 ( -2.602 2.780 -0.753) 3.882 4.057 ( -0.791 0.363 5.941) 6.004 4.239 ( 0.273 5.605 -7.822) 9.627 4.474 ( -1.586 -0.407 0.074) 1.639 4.517 ( 0.654 -2.590 -3.908) 4.734 4.806 ( -2.807 1.619 1.933) 3.772 4.852 ( 1.582 1.304 -2.349) 3.118 5.084 ( -0.943 1.544 2.044) 2.730 5.115 ( 0.295 0.224 -0.678) 0.772 5.483 ( 0.603 1.772 7.160) 7.401 5.549 ( 0.150 -3.222 3.967) 5.113 5.599 ( -0.758 -0.616 -3.578) 3.708 5.658 ( 1.453 -1.624 -5.158) 5.599 5.839 ( -0.986 1.153 2.583) 2.996 5.906 ( -0.575 3.343 -2.865) 4.440 6.333 ( -1.327 1.231 0.719) 1.947 6.360 ( 0.569 -0.080 -1.423) 1.534 6.828 ( 2.836 4.920 6.798) 8.858 6.947 ( -1.154 4.302 -4.279) 6.177 7.597 ( 3.936 5.175 9.934) 11.872 7.742 ( 0.097 5.463 -1.772) 5.744 7.934 ( -0.180 -8.148 0.484) 8.164 8.045 ( -2.794 -8.321 -7.605) 11.614 8.369 ( -1.208 -0.916 0.530) 1.607 8.392 ( 0.968 -1.168 -1.468) 2.111 8.554 ( 0.628 -8.459 2.412) 8.818 8.591 ( -0.616 -6.741 -1.042) 6.849 9.399 ( -2.114 1.662 1.126) 2.915 9.438 ( 2.565 1.385 -2.405) 3.779 9.586 ( -4.050 0.558 -0.495) 4.118 9.609 ( 3.844 0.501 -2.814) 4.790 10.065 ( -2.134 2.169 4.317) 5.282 10.138 ( 4.164 1.102 -2.721) 5.095 10.245 ( -1.183 -4.439 2.829) 5.395 10.317 ( 0.788 -4.240 -3.862) 5.789 10.704 ( 0.548 -0.471 5.775) 5.820 10.813 ( -1.246 0.648 -4.614) 4.823 11.126 ( -0.344 2.126 9.060) 9.313 11.229 ( -1.190 -0.971 -1.028) 1.848 12.008 ( 4.146 5.547 0.563) 6.948 12.141 ( -3.870 4.013 -10.620) 11.994 12.340 ( -0.644 -1.294 0.390) 1.497 12.386 ( 1.827 -2.273 -3.920) 4.886 12.896 ( -1.532 -0.203 2.184) 2.675 12.938 ( 0.433 -0.175 -1.762) 1.823 13.537 ( 1.099 -0.808 1.576) 2.085 13.575 ( -1.738 -1.788 -1.620) 2.974 13.865 ( 1.326 -0.485 -0.036) 1.412 13.883 ( -1.604 -1.612 -1.619) 2.792 14.231 ( 1.115 -5.129 5.687) 7.739 14.346 ( -0.917 -6.800 -5.120) 8.561 15.268 ( 15.016 3.469 18.756) 24.275 15.443 ( -18.094 3.242 6.017) 19.342 16.110 ( 11.624 7.204 -3.771) 14.185 16.252 ( -7.590 6.983 -13.304) 16.834 17.873 ( -0.042 -0.207 0.936) 0.960 17.894 ( 0.020 0.053 -1.075) 1.077 ======================= Grid point 310 (150/168) ======================= q-point: (-0.36 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -6.388 1.397 1.502) 6.709 1.440 ( -0.155 3.345 -6.318) 7.151 1.698 ( -9.285 -7.701 1.132) 12.116 1.831 ( 4.208 -8.258 -1.702) 9.423 1.957 ( -7.871 4.272 0.220) 8.958 2.078 ( 5.709 1.754 1.029) 6.060 2.173 ( -4.030 -1.599 4.852) 6.507 2.272 ( 1.015 0.317 -2.696) 2.898 2.491 ( -1.267 -0.533 5.791) 5.952 2.640 ( 7.736 -2.722 -6.862) 10.693 3.015 ( -7.756 -4.984 -5.752) 10.867 3.064 ( 7.098 -3.656 6.893) 10.548 3.227 ( -1.858 -3.706 4.123) 5.846 3.298 ( -1.024 -5.862 -5.612) 8.180 3.585 ( -1.358 3.751 0.326) 4.003 3.605 ( 0.976 4.946 -0.494) 5.065 4.074 ( 0.815 1.328 5.867) 6.070 4.146 ( 1.826 2.829 -5.012) 6.038 4.460 ( -2.068 0.977 2.770) 3.592 4.536 ( 2.521 -0.351 -3.366) 4.220 4.761 ( -4.283 1.629 2.096) 5.039 4.832 ( 2.075 1.213 -0.933) 2.578 5.061 ( -0.945 1.574 2.062) 2.760 5.107 ( 2.014 1.999 -2.204) 3.593 5.479 ( -3.465 2.227 4.582) 6.162 5.546 ( 0.100 3.121 -1.937) 3.674 5.624 ( 4.406 -1.234 0.992) 4.682 5.642 ( 1.075 2.100 -4.872) 5.413 5.827 ( -2.447 -1.001 2.285) 3.494 5.892 ( 3.401 -1.778 -0.328) 3.852 6.292 ( -6.208 -0.147 -0.193) 6.212 6.387 ( 5.285 0.023 -0.410) 5.301 6.782 ( 0.939 5.493 5.817) 8.055 6.837 ( -0.162 4.268 -5.308) 6.813 7.545 ( 2.414 7.674 8.026) 11.364 7.601 ( -1.524 7.218 -6.935) 10.125 8.105 ( 0.627 -7.972 3.455) 8.712 8.144 ( -0.175 -7.724 -4.319) 8.851 8.390 ( -1.034 -2.035 0.477) 2.332 8.418 ( 1.432 -1.382 -0.996) 2.225 8.741 ( -1.403 -13.029 0.481) 13.113 8.764 ( 1.284 -12.715 0.277) 12.782 9.358 ( -2.616 1.381 1.566) 3.347 9.410 ( 1.349 2.029 -2.531) 3.513 9.548 ( -3.019 0.298 0.348) 3.053 9.624 ( 5.113 0.659 -1.806) 5.462 10.027 ( -1.646 2.749 3.190) 4.522 10.139 ( 6.639 1.785 -4.020) 7.963 10.343 ( -1.040 -5.971 2.394) 6.516 10.402 ( 2.141 -5.992 -2.891) 6.989 10.735 ( -0.917 0.286 2.685) 2.852 10.767 ( -0.138 1.209 -1.947) 2.296 11.127 ( -1.874 1.584 9.623) 9.931 11.233 ( 1.146 -0.693 -3.973) 4.193 11.935 ( 0.457 6.716 3.966) 7.813 11.970 ( -3.425 6.229 -7.877) 10.610 12.370 ( -1.091 -2.215 0.856) 2.613 12.414 ( 0.660 -1.816 -3.429) 3.936 12.909 ( 0.234 -0.887 2.085) 2.278 12.941 ( 1.302 -0.414 -1.603) 2.106 13.570 ( -1.243 -1.829 1.308) 2.570 13.601 ( 1.230 -2.370 -0.507) 2.717 13.885 ( -2.672 -1.937 -2.416) 4.089 13.900 ( 1.796 -1.578 1.287) 2.715 14.379 ( -1.028 -7.965 7.151) 10.754 14.455 ( -1.894 -10.351 -6.970) 12.622 15.236 ( -15.915 5.444 -2.994) 17.085 15.372 ( 12.727 7.539 16.864) 22.433 15.970 ( -6.158 10.989 -12.539) 17.774 16.026 ( 8.284 11.878 1.424) 14.551 17.882 ( 0.224 -0.310 0.717) 0.812 17.892 ( 0.329 -0.139 -0.767) 0.846 ======================= Grid point 311 (151/168) ======================= q-point: (-0.27 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -6.587 -1.485 1.488) 6.914 1.379 ( -2.343 -1.409 -4.586) 5.339 1.747 ( -12.281 -2.689 -0.808) 12.598 1.825 ( -3.818 1.041 4.466) 5.967 1.984 ( 2.092 -7.567 -1.189) 7.941 2.094 ( 0.630 1.744 2.447) 3.070 2.177 ( 0.718 0.213 2.186) 2.311 2.298 ( 7.092 1.117 0.305) 7.186 2.548 ( -2.205 -5.601 4.788) 7.691 2.702 ( 5.274 -2.438 -5.858) 8.251 3.010 ( -6.090 -4.298 -5.613) 9.331 3.166 ( 2.057 0.945 3.210) 3.927 3.283 ( -4.076 -2.757 3.391) 5.976 3.383 ( 1.440 -5.940 -3.030) 6.822 3.469 ( -3.983 2.967 -2.926) 5.765 3.580 ( 2.280 1.521 0.228) 2.750 4.087 ( 1.713 0.237 1.831) 2.518 4.114 ( 3.589 1.423 -2.014) 4.354 4.436 ( -1.201 2.327 4.015) 4.794 4.535 ( 2.751 2.071 -0.766) 3.527 4.704 ( -4.785 1.443 0.355) 5.011 4.840 ( 1.941 -0.344 -0.159) 1.977 5.012 ( -1.707 4.754 -0.649) 5.093 5.062 ( 1.541 2.603 -0.515) 3.069 5.399 ( -4.975 1.594 -3.395) 6.230 5.492 ( 1.391 4.181 2.911) 5.281 5.588 ( 1.057 2.904 -1.464) 3.420 5.684 ( 5.616 -0.373 0.745) 5.678 5.857 ( -2.322 -3.292 0.372) 4.046 5.978 ( 4.060 -3.538 0.841) 5.450 6.249 ( -6.959 -1.469 -0.361) 7.122 6.406 ( 2.043 2.092 0.304) 2.940 6.714 ( -0.254 4.163 0.834) 4.253 6.779 ( 3.884 3.210 1.578) 5.280 7.433 ( -2.101 6.123 -8.542) 10.718 7.486 ( 2.561 4.936 5.959) 8.150 8.165 ( -3.584 -3.903 -6.228) 8.177 8.301 ( 4.391 -5.511 6.801) 9.794 8.413 ( -1.062 -1.253 -0.124) 1.647 8.447 ( 1.976 -0.796 -0.278) 2.149 8.967 ( -1.673 -13.497 -0.407) 13.606 8.998 ( 0.188 -13.371 0.861) 13.400 9.334 ( -1.506 0.316 1.392) 2.075 9.385 ( 1.591 0.254 -2.541) 3.009 9.536 ( -0.878 -0.376 1.406) 1.700 9.652 ( 5.256 0.152 -0.350) 5.270 9.977 ( -0.927 3.045 1.203) 3.403 10.149 ( 7.822 1.770 -2.973) 8.553 10.437 ( -1.233 -5.489 -0.330) 5.636 10.508 ( 2.838 -4.204 0.137) 5.075 10.681 ( -4.477 1.594 -2.798) 5.515 10.779 ( 2.017 -0.129 1.977) 2.827 11.139 ( -2.477 0.231 8.571) 8.924 11.231 ( 2.164 -0.018 -4.695) 5.170 11.772 ( -5.766 6.207 -7.208) 11.123 11.883 ( 2.024 5.819 7.753) 9.903 12.394 ( -1.535 -1.733 -1.373) 2.692 12.428 ( -0.562 -1.086 -0.426) 1.295 12.949 ( 2.256 -1.659 1.110) 3.012 12.955 ( 1.921 -0.517 -1.269) 2.360 13.593 ( -1.811 -2.143 -0.003) 2.806 13.662 ( 2.307 -2.452 1.675) 3.760 13.877 ( -3.078 -1.643 -3.956) 5.275 13.961 ( 2.068 -2.354 3.377) 4.607 14.513 ( -5.551 -5.514 8.007) 11.195 14.585 ( -2.144 -10.833 -9.135) 14.332 14.999 ( -12.428 5.411 -8.763) 16.141 15.364 ( 5.339 11.370 15.517) 19.964 15.676 ( -1.971 11.345 -13.475) 17.725 15.906 ( 7.403 10.793 6.472) 14.601 17.893 ( 0.488 -0.371 0.419) 0.743 17.897 ( 0.554 -0.391 -0.357) 0.767 ======================= Grid point 312 (152/168) ======================= q-point: (-0.18 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -5.472 -3.730 2.154) 6.963 1.417 ( 0.347 -5.451 -2.612) 6.055 1.652 ( -6.013 0.817 -0.418) 6.082 1.855 ( -0.285 0.122 7.103) 7.110 2.044 ( -2.676 1.908 -0.044) 3.287 2.114 ( 3.816 0.503 3.072) 4.925 2.178 ( -3.453 -4.153 -0.047) 5.401 2.358 ( 6.935 -0.637 1.116) 7.053 2.679 ( 0.403 -8.048 1.328) 8.166 2.770 ( 1.541 -5.040 -0.724) 5.320 3.001 ( -3.856 -1.483 -3.607) 5.484 3.105 ( -2.857 4.796 -3.505) 6.592 3.250 ( -1.003 3.656 -2.809) 4.718 3.413 ( -5.932 -3.223 1.330) 6.881 3.478 ( 1.232 -1.494 -0.647) 2.042 3.579 ( 2.636 1.005 -0.460) 2.859 4.102 ( 2.588 -1.028 -4.909) 5.644 4.155 ( 3.610 -2.211 3.552) 5.526 4.384 ( -1.031 5.622 3.791) 6.859 4.499 ( -0.289 3.046 1.449) 3.386 4.649 ( -2.430 0.960 -3.175) 4.112 4.841 ( 0.399 2.486 -1.903) 3.156 4.925 ( -1.775 0.350 0.027) 1.809 5.038 ( 1.919 2.357 0.676) 3.114 5.342 ( -2.894 0.367 -0.532) 2.965 5.482 ( 2.098 -1.188 -1.674) 2.936 5.549 ( -0.195 2.891 4.232) 5.129 5.723 ( 4.464 0.203 -1.500) 4.713 5.874 ( -2.228 -0.774 -2.009) 3.098 6.066 ( 2.430 -3.608 -0.614) 4.393 6.236 ( -6.110 -2.326 1.578) 6.726 6.342 ( -1.416 5.416 1.277) 5.741 6.663 ( 2.115 3.345 1.248) 4.150 6.796 ( 5.986 1.663 6.002) 8.638 7.292 ( -2.847 3.410 -8.320) 9.432 7.478 ( 2.664 1.318 3.296) 4.438 8.157 ( -3.341 -2.416 -7.056) 8.172 8.410 ( -1.530 -0.537 0.565) 1.717 8.425 ( 0.189 -2.087 3.110) 3.750 8.486 ( 5.663 -0.650 2.536) 6.239 9.124 ( -4.304 -7.760 -1.302) 8.969 9.193 ( -0.793 -8.161 1.353) 8.310 9.341 ( 0.475 -1.468 -0.034) 1.543 9.403 ( -0.495 -2.151 -1.178) 2.502 9.587 ( 5.269 -3.695 2.188) 6.797 9.696 ( 4.533 -0.056 1.996) 4.953 9.929 ( 0.790 2.118 -1.285) 2.600 10.173 ( 7.515 1.605 -0.450) 7.698 10.502 ( -1.698 -4.030 -1.957) 4.791 10.556 ( 0.286 1.123 1.383) 1.804 10.609 ( -5.079 0.439 -2.200) 5.553 10.817 ( 1.691 -2.047 -0.480) 2.698 11.146 ( -2.524 0.560 4.005) 4.767 11.232 ( 2.445 0.162 -0.879) 2.603 11.601 ( -4.880 4.732 -6.542) 9.435 11.860 ( 2.612 3.617 8.667) 9.748 12.389 ( -2.155 -0.789 -3.109) 3.864 12.442 ( -0.448 -0.450 1.997) 2.095 12.977 ( 2.071 -0.742 -0.858) 2.361 13.005 ( 3.351 -1.824 0.181) 3.819 13.615 ( -1.401 -1.805 0.145) 2.289 13.723 ( 0.980 -1.405 2.818) 3.298 13.862 ( -1.378 -1.726 -5.292) 5.734 14.038 ( 1.993 -2.281 5.257) 6.067 14.530 ( -9.868 0.091 6.130) 11.617 14.668 ( -1.900 -4.776 -11.597) 12.685 14.816 ( -8.589 -0.648 -9.673) 12.952 15.214 ( -5.546 11.889 8.468) 15.614 15.468 ( 6.292 9.704 -5.305) 12.724 15.868 ( 7.809 4.608 7.220) 11.591 17.905 ( 0.569 -0.306 0.161) 0.666 17.909 ( 0.498 -0.513 -0.014) 0.715 ======================= Grid point 313 (153/168) ======================= q-point: (-0.09 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -3.972 -2.264 3.577) 5.805 1.501 ( 2.743 -2.680 -2.974) 4.853 1.647 ( 1.578 -1.316 3.766) 4.290 1.881 ( 2.600 1.712 6.196) 6.934 1.986 ( -1.910 2.050 1.391) 3.128 2.084 ( 3.265 3.469 1.641) 5.038 2.253 ( -2.916 -4.595 -2.600) 6.032 2.407 ( 0.559 -0.496 0.843) 1.127 2.813 ( 1.458 -5.265 0.068) 5.463 2.857 ( -1.782 0.726 1.238) 2.288 2.955 ( -3.854 -5.464 -8.552) 10.856 3.019 ( -0.773 0.353 0.489) 0.980 3.164 ( 0.725 4.098 -4.583) 6.190 3.409 ( -0.862 2.558 1.801) 3.245 3.467 ( -2.278 1.012 -1.431) 2.874 3.591 ( 1.877 -0.459 1.446) 2.414 4.112 ( 1.485 0.719 -1.905) 2.520 4.251 ( 1.842 -3.677 -0.395) 4.131 4.278 ( -1.716 4.642 3.663) 6.157 4.464 ( -1.944 0.563 2.071) 2.896 4.597 ( 0.291 1.234 -6.334) 6.459 4.792 ( -0.437 1.515 -0.187) 1.588 4.942 ( 0.171 -1.197 -0.261) 1.238 5.024 ( 0.691 0.393 0.866) 1.176 5.334 ( -1.284 -0.648 2.715) 3.073 5.489 ( -1.645 1.158 -1.766) 2.677 5.557 ( 0.974 -0.315 6.204) 6.288 5.754 ( 5.270 -2.476 -5.410) 7.948 5.838 ( -2.102 0.746 -3.635) 4.265 6.124 ( -2.166 -3.039 -2.875) 4.711 6.196 ( -2.632 3.373 1.762) 4.627 6.287 ( -0.510 0.378 2.849) 2.919 6.641 ( 3.193 3.412 4.504) 6.490 6.864 ( 6.572 0.438 8.247) 10.554 7.196 ( -3.936 0.463 -7.262) 8.273 7.500 ( 1.273 -0.638 0.210) 1.440 8.131 ( -3.290 -1.439 -6.524) 7.447 8.395 ( -0.845 0.395 -0.376) 1.006 8.450 ( -0.626 -0.614 0.989) 1.322 8.561 ( 4.378 -0.550 4.233) 6.115 9.165 ( -4.141 -2.763 -1.996) 5.363 9.263 ( -0.468 -0.999 1.351) 1.745 9.353 ( -1.057 0.057 -2.659) 2.862 9.449 ( 0.039 -3.133 1.658) 3.545 9.729 ( 1.154 1.051 5.187) 5.417 9.749 ( 7.192 -6.723 1.664) 9.985 9.919 ( 3.701 -0.348 -4.157) 5.576 10.206 ( 6.018 1.365 2.512) 6.662 10.489 ( -6.302 0.498 -3.202) 7.087 10.527 ( -3.412 0.055 -0.030) 3.413 10.585 ( -0.113 -0.467 -0.453) 0.660 10.846 ( 0.537 -0.647 -2.547) 2.682 11.117 ( -3.222 1.602 1.737) 3.996 11.253 ( 2.840 0.419 1.693) 3.333 11.488 ( -2.721 1.765 -4.490) 5.539 11.883 ( 3.084 0.817 7.185) 7.861 12.364 ( -2.096 -0.012 -2.596) 3.337 12.452 ( 0.624 0.315 1.792) 1.924 13.003 ( 1.603 -0.916 -0.459) 1.903 13.055 ( 2.617 -1.001 -0.299) 2.817 13.630 ( -0.947 -0.908 0.465) 1.392 13.731 ( -2.277 0.739 1.722) 2.949 13.877 ( 1.523 -1.768 -3.213) 3.971 14.110 ( 1.798 -0.896 5.990) 6.317 14.453 ( -8.000 1.536 2.241) 8.449 14.619 ( -0.059 0.945 -7.048) 7.111 14.765 ( -5.513 -2.134 -13.324) 14.577 15.029 ( -3.090 6.648 0.991) 7.397 15.391 ( 3.622 3.279 3.454) 5.984 15.917 ( 5.320 0.319 6.329) 8.274 17.913 ( 0.328 -0.217 0.085) 0.402 17.920 ( 0.229 -0.363 0.082) 0.437 ======================= Grid point 321 (154/168) ======================= q-point: (-0.45 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -6.780 -0.000 5.627) 8.811 1.489 ( -7.955 -0.000 -5.674) 9.771 1.584 ( -6.004 -0.000 -7.433) 9.555 1.666 ( 7.735 0.000 2.109) 8.017 2.032 ( -1.914 -0.000 3.227) 3.752 2.081 ( -3.723 -0.000 8.435) 9.220 2.114 ( -1.902 -0.000 2.236) 2.936 2.293 ( -2.042 -0.000 -8.098) 8.352 2.513 ( 3.139 0.000 3.597) 4.774 2.562 ( 8.421 0.000 -2.446) 8.769 2.954 ( 1.247 0.000 4.963) 5.117 2.967 ( -7.481 -0.000 -8.404) 11.251 3.130 ( -4.500 -0.000 -2.401) 5.101 3.184 ( 3.637 0.000 0.199) 3.643 3.692 ( -3.551 -0.000 -3.635) 5.082 3.706 ( 5.325 0.000 6.508) 8.409 4.101 ( 0.657 0.000 10.435) 10.455 4.233 ( -0.974 -0.000 -13.112) 13.148 4.462 ( 0.234 0.000 1.763) 1.778 4.487 ( 0.957 0.000 -1.950) 2.172 4.798 ( -4.031 -0.000 2.090) 4.541 4.880 ( 3.144 0.000 -1.935) 3.692 5.089 ( -2.913 -0.000 0.776) 3.015 5.131 ( 3.146 0.000 1.360) 3.428 5.523 ( -1.080 -0.000 6.057) 6.152 5.535 ( 1.747 0.000 3.860) 4.237 5.595 ( 2.020 0.000 -3.769) 4.277 5.622 ( 1.154 0.000 -5.450) 5.571 5.884 ( 2.100 0.000 4.673) 5.123 5.909 ( -1.000 -0.000 -4.244) 4.360 6.303 ( -4.917 -0.000 1.401) 5.113 6.399 ( 5.334 0.000 -0.541) 5.362 6.933 ( 2.733 0.000 5.226) 5.898 6.960 ( -1.454 -0.000 -4.912) 5.122 7.723 ( 4.666 0.000 9.230) 10.342 7.759 ( -4.410 -0.000 -9.314) 10.305 7.873 ( 3.753 0.000 7.046) 7.983 7.906 ( -2.892 -0.000 -7.899) 8.412 8.369 ( -0.542 -0.000 -0.081) 0.548 8.374 ( 0.558 0.000 0.510) 0.756 8.491 ( -0.398 -0.000 2.228) 2.263 8.522 ( 0.179 0.000 -2.033) 2.041 9.390 ( -4.478 -0.000 1.376) 4.685 9.461 ( 1.872 0.000 -2.788) 3.358 9.561 ( -2.873 -0.000 0.514) 2.918 9.641 ( 5.493 0.000 -2.000) 5.845 10.106 ( 1.094 0.000 2.507) 2.735 10.166 ( 3.630 0.000 -2.017) 4.153 10.212 ( 0.612 0.000 2.590) 2.662 10.268 ( 1.264 0.000 -3.775) 3.981 10.731 ( 0.376 0.000 6.239) 6.250 10.784 ( -1.432 -0.000 -5.084) 5.282 11.198 ( 2.399 0.000 6.798) 7.208 11.199 ( -2.339 -0.000 -0.586) 2.412 12.089 ( -6.120 -0.000 -8.898) 10.799 12.093 ( 3.124 0.000 1.500) 3.465 12.309 ( -2.616 -0.000 0.227) 2.626 12.368 ( 1.888 0.000 -2.659) 3.262 12.897 ( -0.556 -0.000 2.599) 2.658 12.933 ( 0.856 0.000 -1.468) 1.699 13.536 ( -1.931 -0.000 -1.203) 2.275 13.552 ( 2.038 0.000 1.519) 2.542 13.850 ( -1.997 -0.000 -0.502) 2.059 13.869 ( 0.738 0.000 0.001) 0.738 14.214 ( -0.026 -0.000 4.867) 4.867 14.251 ( -2.359 -0.000 -4.648) 5.212 15.339 ( -18.020 -0.000 -0.882) 18.042 15.510 ( 14.981 0.000 19.241) 24.385 16.176 ( -8.658 -0.000 -15.777) 17.997 16.260 ( 11.196 0.000 1.216) 11.262 17.877 ( 0.249 0.000 1.100) 1.128 17.890 ( 0.184 0.000 -1.172) 1.186 ======================= Grid point 322 (155/168) ======================= q-point: (-0.36 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -11.440 2.607 3.246) 12.174 1.439 ( -5.231 1.038 -6.220) 8.193 1.499 ( -12.327 -4.847 0.638) 13.261 1.769 ( 5.927 -3.840 2.260) 7.415 1.969 ( -8.147 4.321 0.314) 9.227 2.107 ( -7.450 -1.465 8.077) 11.085 2.138 ( 2.201 -3.048 3.451) 5.103 2.256 ( 2.170 0.185 -3.764) 4.349 2.543 ( 3.767 0.907 1.469) 4.143 2.629 ( 8.565 -1.868 -7.564) 11.579 2.857 ( -9.070 -1.595 -6.327) 11.173 3.037 ( -1.541 -8.208 -0.981) 8.409 3.134 ( -1.978 -2.260 4.061) 5.051 3.233 ( 2.276 -1.140 2.583) 3.626 3.612 ( -2.535 3.481 -5.974) 7.364 3.721 ( 2.796 4.752 3.841) 6.719 4.144 ( 1.077 1.712 8.638) 8.871 4.162 ( 1.148 1.164 -8.258) 8.419 4.471 ( 0.045 0.137 2.635) 2.639 4.518 ( 2.299 -2.407 -1.610) 3.697 4.766 ( -4.085 1.367 2.488) 4.974 4.875 ( 2.328 1.849 -0.616) 3.037 5.076 ( -1.135 0.115 0.868) 1.434 5.149 ( 3.564 1.776 0.069) 3.982 5.497 ( -2.838 3.635 -0.206) 4.616 5.579 ( -0.009 -0.280 2.130) 2.148 5.616 ( 1.886 -2.257 -3.287) 4.411 5.638 ( 4.423 -2.598 -0.535) 5.158 5.879 ( 1.536 1.602 1.705) 2.798 5.899 ( 2.478 1.810 0.785) 3.167 6.260 ( -4.281 1.928 0.729) 4.752 6.437 ( 5.520 0.406 0.280) 5.542 6.867 ( -2.109 4.931 -6.242) 8.230 6.925 ( 2.291 4.650 3.895) 6.484 7.647 ( -4.059 4.038 -9.411) 11.016 7.717 ( 1.653 6.560 4.504) 8.127 7.954 ( -0.430 -7.871 -2.989) 8.430 8.016 ( 3.951 -9.108 6.315) 11.767 8.362 ( -0.846 -0.345 1.177) 1.490 8.402 ( 1.873 -1.696 -0.873) 2.674 8.548 ( -1.917 -7.358 -0.516) 7.621 8.601 ( 1.473 -8.169 0.664) 8.328 9.355 ( -4.175 0.650 1.913) 4.639 9.432 ( -0.929 1.573 -3.703) 4.129 9.550 ( -0.271 0.796 2.310) 2.458 9.672 ( 5.879 0.616 -1.441) 6.085 10.088 ( 1.246 3.225 1.421) 3.738 10.199 ( 7.467 0.716 -4.154) 8.575 10.254 ( -0.792 -4.002 1.863) 4.485 10.317 ( 2.796 -4.956 -1.583) 5.906 10.736 ( -2.173 1.105 -2.326) 3.369 10.775 ( 0.711 -0.840 3.383) 3.557 11.168 ( -1.863 1.111 1.293) 2.525 11.239 ( 2.734 0.706 2.024) 3.474 11.963 ( -6.911 3.877 -7.190) 10.700 12.081 ( 1.177 4.710 5.699) 7.487 12.317 ( -2.287 -2.461 0.226) 3.367 12.378 ( 0.193 -1.328 -1.770) 2.221 12.912 ( 0.686 -0.417 2.150) 2.295 12.941 ( 1.673 -0.429 -0.925) 1.959 13.528 ( -1.591 -1.298 -0.893) 2.239 13.590 ( 2.311 -1.396 1.860) 3.279 13.836 ( -2.737 -0.593 -0.703) 2.887 13.887 ( 0.644 -1.481 0.896) 1.846 14.258 ( -3.720 -6.022 -5.258) 8.817 14.281 ( -1.406 -5.618 4.989) 7.644 15.160 ( -15.807 2.931 -6.672) 17.406 15.664 ( 9.295 5.114 20.143) 22.766 15.987 ( -4.359 5.491 -18.853) 20.115 16.283 ( 8.349 8.035 4.695) 12.502 17.885 ( 0.480 -0.080 0.704) 0.856 17.888 ( 0.488 -0.164 -0.686) 0.857 ======================= Grid point 323 (156/168) ======================= q-point: (-0.27 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -12.187 -0.301 2.274) 12.401 1.321 ( -7.384 1.075 -3.192) 8.116 1.547 ( -12.686 -8.333 2.624) 15.403 1.830 ( -8.093 2.396 2.499) 8.802 1.887 ( 1.739 -4.957 1.440) 5.447 2.094 ( -5.750 0.114 2.763) 6.380 2.227 ( 3.632 -1.554 3.437) 5.236 2.310 ( 3.801 -4.237 3.613) 6.742 2.559 ( 4.301 2.077 2.459) 5.372 2.671 ( 5.204 -1.828 -10.464) 11.829 2.836 ( -6.152 -5.924 -5.452) 10.132 3.142 ( -6.999 -7.310 -3.959) 10.867 3.216 ( 2.150 -5.091 3.925) 6.778 3.269 ( -0.804 -0.740 3.436) 3.605 3.491 ( -1.915 4.816 -6.289) 8.150 3.664 ( 1.751 4.756 3.122) 5.953 4.129 ( 2.519 2.134 -3.940) 5.140 4.152 ( 2.452 0.803 2.423) 3.540 4.482 ( 0.731 1.036 4.168) 4.356 4.565 ( 2.286 -0.830 -0.358) 2.458 4.712 ( -3.628 2.546 1.923) 4.831 4.865 ( 1.752 1.333 1.140) 2.479 5.065 ( -0.718 1.811 1.283) 2.333 5.115 ( 1.988 3.883 -2.729) 5.146 5.382 ( -4.051 3.482 -3.767) 6.537 5.574 ( 0.266 3.059 -0.472) 3.106 5.625 ( 0.118 -0.643 0.065) 0.657 5.732 ( 5.933 -0.647 2.150) 6.344 5.846 ( 1.862 3.271 3.123) 4.891 5.957 ( 4.270 -3.740 0.649) 5.713 6.182 ( -5.821 1.504 -1.720) 6.254 6.464 ( 3.701 1.618 0.723) 4.104 6.753 ( -1.481 2.849 -4.785) 5.763 6.888 ( 3.208 3.915 4.607) 6.844 7.479 ( -3.278 6.339 -9.548) 11.920 7.629 ( 1.402 6.570 3.153) 7.421 8.051 ( -0.982 -4.713 -2.484) 5.417 8.239 ( 3.010 -8.613 5.779) 10.800 8.379 ( -0.793 -1.755 0.500) 1.989 8.448 ( 3.658 -1.615 0.174) 4.002 8.723 ( -1.202 -13.895 0.095) 13.947 8.785 ( 1.423 -11.869 -0.126) 11.955 9.328 ( -2.786 0.232 1.631) 3.237 9.381 ( -1.510 0.771 -3.286) 3.697 9.552 ( 1.379 0.721 3.122) 3.489 9.702 ( 5.986 0.688 -0.449) 6.043 10.043 ( 1.440 3.804 0.105) 4.069 10.223 ( 7.756 1.259 -2.700) 8.308 10.337 ( 0.438 -5.127 -0.904) 5.224 10.439 ( 3.227 -6.455 0.030) 7.217 10.674 ( -3.189 2.237 -2.419) 4.585 10.804 ( 0.828 0.191 2.496) 2.637 11.148 ( -2.272 0.254 2.059) 3.076 11.243 ( 1.951 1.141 -0.463) 2.308 11.794 ( -6.403 5.730 -6.012) 10.487 12.030 ( 0.468 5.617 8.418) 10.130 12.337 ( -2.389 -2.176 -1.523) 3.572 12.400 ( -0.668 -1.705 0.875) 2.030 12.946 ( 2.426 -1.367 0.816) 2.902 12.961 ( 2.288 -0.405 -0.482) 2.373 13.542 ( -1.177 -2.059 -0.673) 2.465 13.651 ( 2.482 -2.260 2.445) 4.153 13.817 ( -3.330 -0.792 -1.838) 3.885 13.938 ( 0.476 -2.988 2.232) 3.760 14.334 ( -4.698 -9.740 -6.474) 12.604 14.403 ( -4.027 -7.096 5.612) 9.903 14.943 ( -12.572 4.379 -9.826) 16.547 15.605 ( -12.610 9.695 10.109) 18.847 15.826 ( 15.692 9.185 -10.418) 20.956 16.183 ( 5.271 12.126 6.753) 14.846 17.892 ( 0.602 -0.386 -0.456) 0.849 17.899 ( 1.036 -0.127 0.571) 1.190 ======================= Grid point 324 (157/168) ======================= q-point: (-0.18 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -9.468 -5.121 0.465) 10.774 1.306 ( -4.099 -5.296 1.330) 6.828 1.561 ( -9.699 -4.234 0.012) 10.583 1.837 ( -3.577 -4.127 7.564) 9.330 1.982 ( -2.213 -5.781 1.489) 6.366 2.049 ( -6.006 -0.352 0.282) 6.023 2.256 ( 3.724 3.581 3.345) 6.154 2.458 ( 8.970 -1.953 5.322) 10.611 2.581 ( 1.958 -2.453 2.681) 4.128 2.691 ( 1.125 -3.275 -8.313) 9.006 2.880 ( -4.753 -6.189 -4.969) 9.251 3.136 ( -4.390 1.587 -1.020) 4.779 3.268 ( -4.299 -1.573 3.257) 5.618 3.295 ( -3.847 -1.250 -5.035) 6.459 3.413 ( 0.731 -1.729 -4.727) 5.086 3.646 ( 3.579 1.759 3.141) 5.077 4.091 ( 2.043 1.494 -4.606) 5.256 4.188 ( 3.519 -0.729 1.764) 4.003 4.479 ( 1.104 2.993 3.891) 5.031 4.556 ( -1.063 3.020 2.062) 3.808 4.651 ( -1.003 2.587 -1.274) 3.053 4.862 ( 0.709 1.107 0.140) 1.322 4.961 ( -2.215 6.013 -1.848) 6.669 5.089 ( 1.409 1.291 0.969) 2.143 5.322 ( -1.277 -0.081 -1.652) 2.090 5.504 ( 1.512 3.323 -3.494) 5.053 5.628 ( 0.573 2.651 4.781) 5.496 5.740 ( 0.654 0.673 -0.571) 1.099 5.866 ( 1.658 0.436 1.593) 2.340 6.033 ( 2.926 -1.215 -1.234) 3.400 6.145 ( -4.928 -3.420 0.507) 6.020 6.432 ( 0.506 4.432 0.876) 4.546 6.709 ( 0.759 0.635 -1.553) 1.842 6.897 ( 4.886 1.737 5.816) 7.792 7.311 ( -2.190 5.515 -8.546) 10.404 7.561 ( 1.876 4.443 2.001) 5.222 8.075 ( -1.435 -1.631 -3.635) 4.235 8.373 ( -1.521 -3.781 2.926) 5.017 8.402 ( -0.013 -1.294 0.274) 1.323 8.524 ( 6.062 -1.824 2.014) 6.643 8.939 ( -0.928 -11.354 -0.187) 11.393 9.011 ( 0.454 -12.771 0.958) 12.815 9.320 ( -1.125 -0.778 -0.441) 1.437 9.363 ( -1.461 -1.140 -0.931) 2.074 9.593 ( 4.592 -1.671 2.834) 5.649 9.743 ( 5.514 0.151 1.368) 5.683 9.988 ( 2.459 3.778 -1.509) 4.753 10.255 ( 7.430 1.172 -0.265) 7.527 10.413 ( -0.337 -4.123 -1.622) 4.443 10.549 ( -0.141 -3.364 -1.349) 3.627 10.597 ( -1.417 2.719 -0.293) 3.080 10.809 ( 0.612 0.007 0.200) 0.644 11.134 ( -3.481 -0.106 0.733) 3.559 11.241 ( 0.428 -0.139 0.385) 0.592 11.626 ( -4.187 5.685 -5.050) 8.680 11.986 ( 0.723 4.709 8.167) 9.455 12.338 ( -2.941 -1.476 -1.955) 3.827 12.430 ( -0.168 -1.452 1.569) 2.145 12.983 ( 2.521 -0.288 -0.755) 2.647 13.000 ( 3.167 -1.913 0.142) 3.703 13.571 ( -0.602 -2.319 -0.133) 2.400 13.719 ( 1.063 -1.803 3.419) 4.008 13.799 ( -1.714 -1.606 -3.800) 4.467 14.013 ( -0.113 -3.937 3.680) 5.390 14.431 ( -6.143 -8.640 -5.021) 11.730 14.474 ( -6.600 -4.474 1.462) 8.106 14.746 ( -8.889 3.292 -7.609) 12.155 15.342 ( -13.803 9.844 0.399) 16.959 15.741 ( 15.016 13.096 -1.338) 19.969 16.067 ( 4.913 9.102 6.559) 12.247 17.904 ( 0.627 -0.518 -0.111) 0.821 17.911 ( 1.264 0.038 0.264) 1.292 ======================= Grid point 325 (158/168) ======================= q-point: (-0.09 -0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -4.859 -7.212 1.283) 8.790 1.420 ( 0.962 -7.412 0.559) 7.495 1.592 ( -2.627 -5.627 1.162) 6.318 1.917 ( -0.975 -2.819 7.200) 7.793 1.972 ( -5.310 0.741 -1.514) 5.571 2.105 ( -5.420 -6.900 1.225) 8.859 2.217 ( 4.181 5.141 3.686) 7.583 2.504 ( 7.952 5.381 3.507) 10.221 2.701 ( 0.965 -5.609 -5.687) 8.046 2.762 ( -1.599 -10.008 1.921) 10.316 2.872 ( -5.300 0.791 -4.969) 7.308 3.053 ( -0.022 3.395 0.932) 3.521 3.222 ( -0.196 3.931 -3.141) 5.035 3.296 ( -7.825 -6.331 0.150) 10.066 3.446 ( -0.945 -2.599 -3.645) 4.575 3.660 ( 3.863 2.233 1.984) 4.883 4.080 ( 1.413 -1.667 -5.813) 6.211 4.239 ( 2.867 -1.082 2.205) 3.775 4.412 ( -0.745 7.428 4.043) 8.490 4.491 ( -2.646 3.770 2.986) 5.489 4.594 ( 0.566 1.786 -5.002) 5.341 4.812 ( -1.057 2.305 -1.857) 3.144 4.916 ( -0.312 -0.778 1.033) 1.331 5.071 ( 1.112 2.589 0.916) 2.962 5.333 ( 0.694 -1.032 2.170) 2.501 5.474 ( 2.246 0.445 -5.115) 5.604 5.612 ( 0.491 1.661 6.345) 6.577 5.738 ( 0.007 -0.577 -2.728) 2.788 5.838 ( -1.195 2.302 -0.734) 2.696 6.057 ( -0.661 -1.718 -1.396) 2.310 6.173 ( -3.944 -1.456 2.109) 4.704 6.361 ( 1.794 4.264 0.935) 4.719 6.711 ( 1.495 0.358 0.735) 1.704 6.950 ( 5.101 0.311 5.877) 7.788 7.184 ( -1.105 3.914 -6.013) 7.259 7.522 ( 1.116 2.330 -0.217) 2.592 8.068 ( -0.900 -0.932 -3.561) 3.790 8.389 ( -1.508 -0.251 0.285) 1.555 8.434 ( -0.287 -1.431 1.042) 1.793 8.599 ( 3.982 -0.808 1.991) 4.525 9.070 ( -1.006 -5.281 0.159) 5.378 9.198 ( 0.179 -7.714 0.473) 7.731 9.325 ( -0.755 -1.050 -2.332) 2.666 9.389 ( -1.311 -3.355 2.038) 4.139 9.710 ( 6.201 -4.949 1.772) 8.130 9.783 ( 2.497 0.997 3.677) 4.555 9.953 ( 5.326 2.182 -3.497) 6.735 10.294 ( 6.388 1.464 2.760) 7.111 10.432 ( -4.362 -0.529 -1.771) 4.737 10.507 ( -2.958 0.861 -3.441) 4.619 10.593 ( 0.894 1.022 1.284) 1.869 10.827 ( 1.413 -1.162 -1.945) 2.670 11.102 ( -5.213 0.059 0.714) 5.262 11.258 ( -0.387 -1.480 0.622) 1.652 11.502 ( -1.419 4.010 -2.938) 5.170 11.963 ( 1.000 2.784 6.010) 6.699 12.328 ( -2.568 -1.012 -1.386) 3.088 12.459 ( 0.971 -0.925 0.510) 1.435 13.003 ( 1.693 -0.422 -0.328) 1.776 13.053 ( 2.470 -1.445 -0.497) 2.905 13.605 ( -0.166 -1.807 0.485) 1.878 13.728 ( -2.915 0.313 1.365) 3.234 13.838 ( 2.710 -3.121 -2.129) 4.650 14.095 ( -1.238 -3.782 4.460) 5.978 14.420 ( -7.522 0.196 3.371) 8.245 14.531 ( -3.071 -7.748 -10.195) 13.169 14.631 ( -5.750 0.738 -2.991) 6.523 15.100 ( -9.254 6.998 -0.923) 11.639 15.611 ( 10.304 13.189 0.271) 16.739 16.019 ( 3.885 4.340 4.672) 7.467 17.916 ( 0.442 -0.287 0.083) 0.533 17.919 ( 0.991 0.109 0.025) 0.998 ======================= Grid point 334 (159/168) ======================= q-point: (-0.36 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -14.091 -0.000 7.894) 16.152 1.294 ( -12.674 -0.000 0.123) 12.675 1.391 ( -9.498 -0.000 -6.032) 11.252 1.792 ( 3.215 0.000 1.964) 3.768 1.950 ( -12.188 -0.000 2.263) 12.396 2.056 ( -8.006 -0.000 5.692) 9.823 2.114 ( -2.604 -0.000 4.872) 5.524 2.284 ( 8.015 0.000 -3.859) 8.896 2.539 ( -2.998 -0.000 -4.906) 5.750 2.642 ( 7.984 0.000 -9.744) 12.597 2.778 ( -3.986 -0.000 -0.776) 4.061 2.908 ( -4.032 -0.000 -2.333) 4.658 3.140 ( -1.096 -0.000 7.756) 7.833 3.261 ( 1.788 0.000 3.704) 4.113 3.608 ( 1.404 0.000 -7.739) 7.865 3.799 ( 2.205 0.000 0.089) 2.206 4.143 ( 1.562 0.000 -4.866) 5.110 4.214 ( -0.487 -0.000 10.697) 10.708 4.492 ( 1.818 0.000 -2.018) 2.716 4.498 ( 1.724 0.000 2.685) 3.191 4.761 ( -3.784 -0.000 3.342) 5.048 4.906 ( 1.821 0.000 -1.293) 2.233 5.067 ( -0.900 -0.000 0.740) 1.165 5.211 ( 4.975 0.000 1.334) 5.151 5.550 ( -2.150 -0.000 -4.531) 5.015 5.579 ( 2.042 0.000 4.049) 4.534 5.587 ( 2.064 0.000 -4.046) 4.542 5.621 ( 4.054 0.000 0.057) 4.055 5.857 ( -1.090 -0.000 -2.918) 3.115 6.000 ( 5.690 0.000 7.461) 9.383 6.279 ( -0.539 -0.000 2.405) 2.465 6.484 ( 5.258 0.000 0.602) 5.292 6.865 ( -2.285 -0.000 -9.037) 9.321 6.996 ( 1.220 0.000 1.923) 2.278 7.580 ( -5.939 -0.000 -10.654) 12.197 7.804 ( -1.420 -0.000 -5.918) 6.087 7.861 ( 3.400 0.000 6.553) 7.383 8.010 ( 4.380 0.000 7.533) 8.714 8.353 ( -1.044 -0.000 -0.837) 1.339 8.389 ( 0.824 0.000 0.693) 1.077 8.505 ( -0.275 -0.000 1.525) 1.550 8.517 ( 1.110 0.000 -0.764) 1.348 9.337 ( -4.203 -0.000 2.484) 4.883 9.407 ( -3.221 -0.000 -4.539) 5.566 9.583 ( 2.064 0.000 3.823) 4.344 9.717 ( 5.924 0.000 -1.313) 6.068 10.154 ( 3.637 0.000 -0.774) 3.718 10.193 ( 1.696 0.000 -0.687) 1.830 10.267 ( 2.621 0.000 -2.575) 3.674 10.283 ( 6.213 0.000 0.203) 6.216 10.714 ( -1.668 -0.000 -4.162) 4.484 10.792 ( 0.056 0.000 5.543) 5.543 11.162 ( -1.004 -0.000 -1.215) 1.576 11.284 ( 2.910 0.000 0.942) 3.058 11.909 ( -7.585 -0.000 -5.236) 9.216 12.162 ( -0.258 -0.000 7.305) 7.309 12.272 ( -2.878 -0.000 0.837) 2.997 12.362 ( -0.116 -0.000 0.273) 0.296 12.926 ( 1.034 0.000 2.033) 2.281 12.946 ( 1.834 0.000 -0.301) 1.858 13.503 ( -1.052 -0.000 -0.288) 1.090 13.605 ( 2.451 0.000 2.014) 3.172 13.809 ( -3.343 -0.000 0.325) 3.359 13.879 ( -0.036 -0.000 0.717) 0.718 14.150 ( -4.759 -0.000 -4.633) 6.641 14.236 ( -2.484 -0.000 3.777) 4.521 15.025 ( -14.094 -0.000 -10.467) 17.556 15.782 ( -15.806 -0.000 9.390) 18.385 15.994 ( 19.199 0.000 -10.149) 21.716 16.446 ( 7.378 0.000 6.418) 9.779 17.885 ( 0.509 0.000 -0.982) 1.106 17.895 ( 0.668 0.000 1.067) 1.259 ======================= Grid point 335 (160/168) ======================= q-point: (-0.27 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -15.962 2.858 5.478) 17.116 1.265 ( -10.787 2.148 -2.862) 11.365 1.320 ( -13.387 -7.886 4.560) 16.192 1.772 ( -12.060 0.205 -0.198) 12.063 1.856 ( -6.008 -1.075 3.751) 7.164 2.059 ( -2.891 -1.338 1.939) 3.730 2.163 ( -4.987 -5.300 8.721) 11.358 2.328 ( 5.985 -0.276 -1.805) 6.257 2.531 ( -1.775 -5.558 -5.979) 8.354 2.656 ( 4.321 -1.192 -9.310) 10.333 2.752 ( 1.523 1.942 -1.322) 2.800 2.935 ( -2.980 -6.119 -2.759) 7.344 3.184 ( -1.752 -2.193 6.226) 6.830 3.287 ( -0.281 -0.049 3.610) 3.622 3.550 ( 3.563 4.788 -6.784) 9.036 3.771 ( 1.620 4.123 0.410) 4.449 4.142 ( 2.452 0.339 -2.373) 3.429 4.222 ( 0.010 2.901 5.378) 6.111 4.517 ( 1.152 -0.670 3.434) 3.683 4.543 ( 2.243 -2.443 -0.591) 3.369 4.736 ( -3.128 1.677 3.368) 4.893 4.900 ( 0.531 0.848 0.402) 1.078 5.074 ( 0.160 -0.539 0.389) 0.684 5.211 ( 4.386 4.840 -0.864) 6.589 5.429 ( -2.268 6.626 -4.972) 8.589 5.587 ( 1.264 -0.347 -4.388) 4.580 5.597 ( -0.935 -0.702 2.909) 3.135 5.742 ( 5.534 -4.789 2.192) 7.640 5.892 ( 0.948 -5.774 -0.714) 5.894 6.018 ( 6.068 8.071 7.092) 12.339 6.230 ( -0.050 6.273 0.062) 6.274 6.521 ( 4.235 1.014 0.611) 4.398 6.756 ( -2.896 3.276 -7.696) 8.851 6.984 ( 1.683 2.759 2.106) 3.858 7.475 ( -5.218 1.887 -9.822) 11.281 7.732 ( -0.027 4.097 -1.879) 4.507 7.975 ( 2.171 -4.844 2.847) 6.023 8.141 ( 3.543 -7.691 5.641) 10.175 8.362 ( -0.709 -0.061 1.350) 1.526 8.438 ( 2.899 -4.562 0.101) 5.406 8.516 ( -0.835 -6.036 -0.683) 6.131 8.627 ( 1.599 -8.388 -0.043) 8.539 9.316 ( -3.288 0.254 1.955) 3.834 9.354 ( -3.510 0.275 -3.923) 5.271 9.607 ( 2.707 1.558 4.395) 5.392 9.757 ( 6.085 0.213 -0.698) 6.128 10.121 ( 2.713 3.811 -1.273) 4.848 10.264 ( 0.809 -3.384 0.871) 3.587 10.284 ( 7.676 -0.823 -3.948) 8.671 10.370 ( 4.885 -4.087 -0.151) 6.371 10.672 ( -1.985 1.265 -2.757) 3.625 10.820 ( -0.116 -0.276 3.789) 3.801 11.143 ( -1.806 0.630 -0.312) 1.938 11.281 ( 1.474 1.835 -2.088) 3.146 11.802 ( -5.797 3.467 -4.026) 7.863 12.147 ( -1.913 3.770 7.257) 8.398 12.275 ( -3.039 -1.927 -0.245) 3.607 12.381 ( 0.050 -0.903 3.756) 3.864 12.950 ( 2.023 -0.780 1.082) 2.423 12.969 ( 2.279 -0.669 0.101) 2.378 13.507 ( -0.577 -1.038 0.255) 1.215 13.649 ( 2.520 -1.570 2.386) 3.809 13.778 ( -4.225 0.101 -0.150) 4.228 13.898 ( -0.651 -2.155 1.116) 2.513 14.135 ( -5.471 -5.510 -4.745) 9.100 14.282 ( -3.842 -5.781 3.912) 7.968 14.850 ( -11.303 2.030 -12.333) 16.852 15.602 ( -18.249 4.499 -3.496) 19.118 16.095 ( 19.988 6.120 1.198) 20.938 16.445 ( 4.764 9.413 7.588) 12.995 17.888 ( 0.657 -0.312 -0.709) 1.016 17.908 ( 1.083 -0.255 0.840) 1.394 ======================= Grid point 336 (161/168) ======================= q-point: (-0.18 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -15.750 -2.128 4.049) 16.401 1.187 ( -9.391 -3.840 3.335) 10.680 1.374 ( -10.484 -7.857 1.002) 13.139 1.738 ( -9.486 -5.186 7.138) 12.955 1.873 ( -7.612 -5.045 2.095) 9.370 2.029 ( -2.174 2.004 -2.018) 3.580 2.270 ( -3.453 -5.156 5.811) 8.502 2.416 ( 1.489 -7.418 4.395) 8.750 2.596 ( 1.615 -3.511 -9.635) 10.381 2.671 ( 6.405 0.680 0.400) 6.453 2.726 ( -1.635 -1.536 -5.954) 6.362 3.008 ( -3.722 -7.229 -4.357) 9.225 3.219 ( -3.315 -0.188 1.913) 3.832 3.282 ( -1.149 0.494 2.681) 2.959 3.462 ( 3.772 5.842 -3.486) 7.779 3.723 ( 2.011 3.297 2.312) 4.502 4.131 ( 2.864 2.392 -4.254) 5.658 4.203 ( 0.744 0.591 2.167) 2.366 4.541 ( 1.093 1.153 3.599) 3.934 4.585 ( 0.772 -0.445 -0.063) 0.893 4.692 ( -1.546 2.747 2.060) 3.765 4.893 ( -0.372 1.069 0.938) 1.471 5.059 ( 0.262 5.447 -0.577) 5.484 5.129 ( 2.261 3.628 -0.903) 4.369 5.318 ( -0.579 2.050 -2.058) 2.962 5.550 ( 0.578 2.676 -4.057) 4.894 5.626 ( -2.787 -2.455 3.263) 4.944 5.830 ( 4.242 3.968 1.123) 5.916 5.917 ( 0.416 4.849 3.658) 6.088 6.024 ( 2.697 -6.032 1.499) 6.775 6.115 ( 1.943 5.851 -1.942) 6.464 6.502 ( 0.582 3.238 -0.957) 3.426 6.696 ( -0.592 -0.280 -2.704) 2.782 6.978 ( 3.080 1.419 3.450) 4.837 7.344 ( -2.891 4.479 -7.327) 9.062 7.656 ( 0.989 4.551 -0.437) 4.678 8.048 ( 0.731 -1.051 1.275) 1.807 8.296 ( -0.590 -5.357 2.699) 6.028 8.380 ( 0.495 -1.719 0.455) 1.846 8.535 ( 5.401 -2.981 0.794) 6.220 8.708 ( -0.662 -14.903 0.229) 14.919 8.820 ( 3.711 -11.719 0.012) 12.292 9.290 ( -2.603 -0.330 -2.080) 3.348 9.329 ( -2.148 -1.059 0.266) 2.410 9.631 ( 3.970 0.472 3.555) 5.350 9.801 ( 5.957 0.398 1.246) 6.099 10.071 ( 3.592 3.963 -2.033) 5.722 10.312 ( 3.438 -0.921 1.382) 3.818 10.359 ( 5.001 -2.260 -3.005) 6.257 10.479 ( 2.296 -4.466 -1.229) 5.170 10.623 ( -0.903 1.493 -0.587) 1.841 10.822 ( -0.575 1.019 0.946) 1.504 11.107 ( -5.232 0.586 0.803) 5.326 11.243 ( -0.652 1.149 -2.485) 2.815 11.677 ( -1.925 5.326 -3.182) 6.496 12.094 ( -2.112 4.133 6.280) 7.809 12.277 ( -3.619 -1.777 -0.589) 4.075 12.415 ( 0.234 -1.068 2.483) 2.713 12.991 ( 1.489 -1.218 0.931) 2.137 12.999 ( 3.718 -0.632 -1.065) 3.919 13.531 ( -0.118 -1.995 0.309) 2.023 13.712 ( 0.522 -1.749 3.564) 4.004 13.746 ( -2.284 -1.065 -2.250) 3.378 13.949 ( -1.642 -3.939 1.792) 4.628 14.198 ( -5.355 -9.125 -4.451) 11.479 14.369 ( -5.861 -5.282 4.503) 9.084 14.684 ( -7.655 1.858 -9.950) 12.691 15.349 ( -16.212 6.466 -4.611) 18.052 16.087 ( 16.201 12.399 1.271) 20.441 16.312 ( 2.628 12.348 7.305) 14.586 17.899 ( 0.722 -0.567 -0.313) 0.970 17.925 ( 1.677 -0.029 0.337) 1.711 ======================= Grid point 337 (162/168) ======================= q-point: (-0.09 -0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -7.883 -9.779 2.106) 12.736 1.280 ( -2.875 -9.604 4.507) 10.991 1.440 ( -5.683 -8.016 -1.115) 9.889 1.810 ( -8.695 -6.597 4.445) 11.785 1.941 ( -7.018 -7.909 4.120) 11.348 1.969 ( -1.584 1.393 -0.555) 2.181 2.320 ( -1.135 -0.383 4.374) 4.535 2.578 ( -3.356 -3.728 -7.708) 9.196 2.631 ( 3.406 -6.475 4.143) 8.408 2.647 ( 3.765 1.534 -4.856) 6.333 2.783 ( 0.555 -4.321 1.806) 4.716 3.067 ( -3.305 -4.639 -3.059) 6.465 3.154 ( -4.102 2.163 -0.181) 4.641 3.293 ( -0.154 1.502 2.490) 2.912 3.392 ( 1.627 1.632 -3.064) 3.834 3.713 ( 1.492 1.084 0.807) 2.013 4.078 ( 2.253 2.746 -4.856) 6.016 4.234 ( 0.517 -2.032 1.501) 2.579 4.517 ( -1.263 3.947 3.802) 5.624 4.573 ( 1.818 3.014 0.878) 3.628 4.628 ( -0.843 4.283 -1.120) 4.507 4.839 ( -1.551 3.415 -2.985) 4.794 4.956 ( 1.582 4.610 1.698) 5.161 5.116 ( -0.055 1.493 1.998) 2.494 5.325 ( 2.506 -1.886 -0.030) 3.136 5.496 ( 2.080 2.195 -3.772) 4.835 5.660 ( -3.708 -1.654 6.099) 7.327 5.725 ( 0.412 4.709 -3.046) 5.623 5.877 ( -1.439 3.551 0.654) 3.887 6.073 ( 4.093 2.518 0.188) 4.809 6.128 ( -0.048 -3.265 2.380) 4.041 6.436 ( -0.115 3.503 -0.776) 3.590 6.695 ( -0.393 -0.996 -2.887) 3.079 7.007 ( 2.681 0.219 2.651) 3.776 7.230 ( 0.193 4.170 -3.861) 5.687 7.590 ( 1.288 4.251 0.124) 4.443 8.056 ( 0.905 0.291 0.380) 1.023 8.354 ( -2.491 -2.478 1.026) 3.661 8.416 ( 1.118 -1.351 0.519) 1.829 8.611 ( 3.034 -1.533 -0.407) 3.423 8.951 ( 1.617 -11.661 1.079) 11.822 9.039 ( 2.642 -10.107 0.984) 10.493 9.280 ( -1.714 -1.780 -2.559) 3.557 9.345 ( -1.048 -1.839 0.865) 2.287 9.697 ( 4.987 -2.500 1.462) 5.767 9.839 ( 2.904 1.178 3.305) 4.555 10.037 ( 6.914 3.410 -2.175) 8.010 10.367 ( 4.866 -0.408 2.417) 5.449 10.389 ( -0.842 -0.747 -2.020) 2.312 10.488 ( -1.743 1.592 -2.679) 3.571 10.628 ( 2.128 0.353 0.953) 2.359 10.810 ( 0.449 -0.721 -1.140) 1.422 11.053 ( -7.503 -0.144 1.128) 7.588 11.220 ( -2.276 -0.971 -1.625) 2.960 11.569 ( 0.522 5.440 -1.519) 5.672 12.039 ( -1.859 3.357 3.840) 5.429 12.278 ( -2.961 -1.777 0.047) 3.453 12.445 ( 1.092 -1.414 -0.661) 1.905 13.010 ( 1.199 -0.101 0.101) 1.207 13.042 ( 2.205 -1.486 -0.782) 2.771 13.573 ( 0.359 -2.396 0.631) 2.503 13.706 ( -3.511 -0.474 0.488) 3.577 13.801 ( 2.858 -3.119 -0.250) 4.238 14.016 ( -3.138 -4.923 2.198) 6.238 14.300 ( -4.955 -9.128 -2.170) 10.610 14.393 ( -5.169 -1.490 2.965) 6.142 14.589 ( -4.077 0.010 -4.247) 5.887 15.109 ( -12.501 5.566 -3.656) 14.164 15.954 ( 12.034 16.124 -0.280) 20.122 16.175 ( 1.894 9.068 4.423) 10.265 17.913 ( 0.563 -0.486 0.014) 0.744 17.935 ( 1.606 0.467 -0.154) 1.680 ======================= Grid point 346 (163/168) ======================= q-point: (-0.27 -0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -16.375 -0.000 5.751) 17.355 1.121 ( -17.906 -0.000 9.981) 20.500 1.201 ( -8.865 -0.000 -2.265) 9.150 1.634 ( -20.216 -0.000 -4.220) 20.651 1.749 ( -16.143 -0.000 4.219) 16.686 2.035 ( -1.105 -0.000 -2.626) 2.849 2.140 ( -2.077 -0.000 15.566) 15.704 2.384 ( -8.695 -0.000 -3.332) 9.311 2.409 ( 10.557 0.000 -2.746) 10.908 2.605 ( 3.252 0.000 -14.433) 14.795 2.809 ( 4.039 0.000 -0.104) 4.040 2.885 ( 1.776 0.000 -0.087) 1.778 3.172 ( -2.731 -0.000 5.527) 6.165 3.306 ( 1.358 0.000 2.867) 3.172 3.609 ( 6.535 0.000 -6.274) 9.059 3.808 ( 2.066 0.000 -3.809) 4.333 4.168 ( 1.545 0.000 2.589) 3.015 4.270 ( -2.715 -0.000 6.730) 7.257 4.502 ( 1.818 0.000 -2.094) 2.773 4.558 ( 1.693 0.000 3.314) 3.721 4.745 ( -2.928 -0.000 4.027) 4.978 4.903 ( -0.725 -0.000 -1.215) 1.415 5.070 ( 0.432 0.000 0.565) 0.711 5.294 ( 5.038 0.000 -1.422) 5.235 5.438 ( -4.208 -0.000 -6.347) 7.615 5.588 ( 1.588 0.000 -1.828) 2.421 5.661 ( 4.619 0.000 1.674) 4.913 5.695 ( 4.462 0.000 0.619) 4.505 5.828 ( -1.415 -0.000 0.708) 1.582 6.207 ( 10.563 0.000 8.364) 13.473 6.316 ( 2.222 0.000 1.717) 2.808 6.563 ( 3.017 0.000 -1.802) 3.514 6.738 ( -1.414 -0.000 -5.987) 6.151 7.016 ( 0.412 0.000 0.154) 0.440 7.389 ( -5.847 -0.000 -8.400) 10.235 7.752 ( 0.054 0.000 -2.883) 2.884 7.954 ( 2.166 0.000 3.663) 4.255 8.135 ( 3.248 0.000 5.483) 6.373 8.325 ( -1.118 -0.000 -1.091) 1.562 8.411 ( -0.333 -0.000 1.998) 2.026 8.512 ( 1.126 0.000 -0.931) 1.460 8.542 ( 2.313 0.000 0.167) 2.320 9.301 ( -4.541 -0.000 -4.620) 6.478 9.305 ( -2.933 -0.000 2.452) 3.823 9.675 ( 3.580 0.000 5.796) 6.813 9.796 ( 5.699 0.000 -1.681) 5.941 10.200 ( 4.093 0.000 -2.177) 4.636 10.213 ( 1.350 0.000 0.117) 1.356 10.305 ( 4.528 0.000 -1.012) 4.640 10.397 ( 8.432 0.000 -0.726) 8.463 10.658 ( -1.362 -0.000 -2.277) 2.654 10.832 ( -0.669 -0.000 3.777) 3.836 11.131 ( -3.195 -0.000 -0.168) 3.200 11.287 ( 0.105 0.000 -5.974) 5.975 11.781 ( -2.414 -0.000 -2.865) 3.746 12.175 ( -4.429 -0.000 2.699) 5.186 12.237 ( -2.525 -0.000 0.923) 2.688 12.410 ( -0.102 -0.000 8.341) 8.342 12.962 ( 1.896 0.000 0.997) 2.142 12.981 ( 2.109 0.000 0.804) 2.257 13.502 ( -0.122 -0.000 1.737) 1.742 13.664 ( 2.306 0.000 2.329) 3.277 13.744 ( -5.606 -0.000 0.580) 5.635 13.875 ( -1.172 -0.000 0.343) 1.221 14.022 ( -6.108 -0.000 -3.883) 7.238 14.208 ( -4.453 -0.000 1.976) 4.872 14.725 ( -9.105 -0.000 -12.809) 15.715 15.469 ( -18.247 -0.000 -6.577) 19.396 16.315 ( 18.708 0.000 3.031) 18.952 16.612 ( 5.320 0.000 8.093) 9.685 17.887 ( 0.720 0.000 -0.615) 0.947 17.916 ( 0.803 0.000 0.828) 1.154 ======================= Grid point 347 (164/168) ======================= q-point: (-0.18 -0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -19.064 4.639 9.214) 21.676 1.050 ( -17.744 -2.796 5.493) 18.784 1.178 ( -8.519 -5.958 1.776) 10.547 1.566 ( -15.667 -9.586 5.553) 19.188 1.682 ( -15.845 -5.108 1.706) 16.735 1.997 ( -4.985 -0.850 -6.002) 7.848 2.247 ( -2.425 2.413 14.085) 14.494 2.270 ( -4.675 -5.895 -3.714) 8.390 2.538 ( 5.132 -3.250 -3.343) 6.933 2.598 ( 4.176 -5.458 -10.931) 12.912 2.791 ( 3.498 4.241 -2.649) 6.103 2.918 ( 1.031 -1.869 0.698) 2.246 3.195 ( -2.173 -1.405 3.333) 4.220 3.323 ( 3.675 1.687 2.219) 4.613 3.582 ( 5.355 5.342 -4.022) 8.567 3.789 ( 1.171 1.955 -2.456) 3.350 4.168 ( 1.092 1.979 1.079) 2.505 4.252 ( -0.740 2.610 2.825) 3.917 4.537 ( -0.098 -2.653 0.093) 2.656 4.587 ( 0.979 -0.423 2.384) 2.612 4.728 ( -2.129 1.523 3.220) 4.150 4.890 ( -1.654 -0.217 -0.458) 1.730 5.090 ( 1.721 -0.847 0.159) 1.925 5.260 ( 3.650 6.852 -2.692) 8.217 5.350 ( -1.926 2.914 -3.170) 4.717 5.578 ( 0.500 1.405 -1.755) 2.303 5.611 ( 0.615 3.278 1.305) 3.581 5.838 ( 3.697 -5.250 2.209) 6.790 5.892 ( -1.072 -6.519 0.206) 6.609 6.177 ( 4.830 14.395 2.388) 15.371 6.274 ( 6.946 7.089 1.301) 10.010 6.521 ( -2.332 1.056 -6.856) 7.318 6.707 ( 1.761 2.830 3.723) 4.997 7.029 ( 2.205 0.461 2.106) 3.084 7.328 ( -3.476 -0.046 -4.974) 6.069 7.721 ( 0.920 2.664 -0.834) 2.940 8.035 ( 1.752 -3.277 1.833) 4.144 8.220 ( 1.599 -5.060 2.583) 5.902 8.365 ( -0.386 -0.933 1.055) 1.460 8.459 ( -0.564 -10.667 0.311) 10.687 8.534 ( 3.557 -2.318 -1.084) 4.381 8.665 ( 4.034 -10.012 -0.484) 10.805 9.244 ( -4.417 -0.259 -3.440) 5.605 9.301 ( -2.144 -0.680 1.583) 2.750 9.706 ( 4.335 2.346 4.304) 6.544 9.847 ( 5.590 -1.054 0.211) 5.692 10.157 ( 4.034 3.624 -1.167) 5.547 10.299 ( 2.193 -3.452 1.004) 4.211 10.354 ( 5.072 -1.816 -1.897) 5.712 10.467 ( 7.393 -0.803 -0.269) 7.442 10.632 ( -0.838 0.919 -0.761) 1.458 10.837 ( -0.952 0.609 1.687) 2.031 11.078 ( -7.668 1.438 1.033) 7.870 11.234 ( -2.134 0.977 -6.661) 7.063 11.741 ( 2.527 3.393 -2.383) 4.855 12.134 ( -4.953 1.453 1.825) 5.475 12.228 ( -2.833 -0.709 0.926) 3.063 12.427 ( -1.644 0.696 4.330) 4.684 12.989 ( 1.497 -0.719 0.939) 1.908 13.012 ( 2.819 -0.785 -0.054) 2.927 13.511 ( -0.311 -0.517 1.258) 1.396 13.691 ( -6.132 -0.163 1.879) 6.416 13.715 ( 2.123 -1.667 0.641) 2.775 13.885 ( -1.808 -2.251 0.313) 2.904 14.010 ( -5.310 -5.917 -2.438) 8.316 14.241 ( -4.760 -6.408 2.234) 8.289 14.601 ( -6.252 0.682 -9.511) 11.402 15.270 ( -16.715 2.975 -6.634) 18.228 16.400 ( 16.013 7.899 2.194) 17.990 16.582 ( 3.463 11.639 8.261) 14.687 17.894 ( 0.773 -0.416 -0.332) 0.939 17.934 ( 1.378 -0.682 0.314) 1.569 ======================= Grid point 348 (165/168) ======================= q-point: (-0.09 -0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -12.445 -6.227 8.052) 16.078 1.088 ( -9.909 -10.777 7.453) 16.428 1.245 ( -5.883 -8.202 -1.165) 10.160 1.638 ( -12.061 -5.936 3.622) 13.922 1.741 ( -10.028 -12.235 7.212) 17.386 1.939 ( -5.198 -1.241 -7.283) 9.033 2.197 ( -11.940 -6.141 1.749) 13.540 2.439 ( -0.709 -7.459 4.472) 8.726 2.561 ( 3.082 -3.245 -5.177) 6.843 2.696 ( 2.426 5.485 -3.037) 6.723 2.744 ( 4.661 -6.424 -6.125) 10.025 2.977 ( 1.204 -2.750 4.063) 5.052 3.180 ( -1.106 2.130 0.696) 2.499 3.337 ( 3.352 1.944 3.031) 4.920 3.490 ( 2.369 6.914 -2.277) 7.655 3.743 ( -0.390 2.199 -1.995) 2.994 4.138 ( 3.060 3.183 -3.828) 5.844 4.220 ( -1.331 0.694 2.938) 3.299 4.558 ( -1.268 0.226 1.598) 2.053 4.604 ( 0.442 0.080 0.865) 0.974 4.692 ( -0.915 2.936 1.701) 3.514 4.863 ( -1.466 1.972 -2.583) 3.565 5.087 ( 3.100 5.574 0.500) 6.397 5.160 ( 0.773 3.777 1.631) 4.186 5.318 ( 1.864 -0.606 -0.451) 2.011 5.539 ( 2.226 3.086 -2.367) 4.481 5.590 ( -5.516 -2.403 2.755) 6.618 5.842 ( -2.800 8.211 -2.818) 9.121 5.921 ( -0.327 0.018 3.035) 3.052 6.103 ( 4.282 -1.297 2.486) 5.118 6.209 ( 8.180 7.535 1.489) 11.221 6.458 ( -2.397 1.313 -4.081) 4.912 6.686 ( 0.616 1.873 -0.632) 2.071 7.036 ( 0.588 1.529 1.256) 2.064 7.279 ( 0.439 2.271 -0.481) 2.362 7.675 ( 1.659 3.974 0.813) 4.383 8.074 ( 0.515 -0.271 1.261) 1.389 8.289 ( -2.059 -3.043 0.951) 3.796 8.405 ( 2.070 -1.867 0.369) 2.812 8.593 ( 2.520 -2.375 -1.940) 3.969 8.711 ( 0.223 -16.199 1.067) 16.235 8.914 ( 8.303 -11.792 -1.243) 14.476 9.216 ( -3.714 -1.760 -1.977) 4.561 9.312 ( -0.981 -1.505 0.386) 1.838 9.726 ( 4.704 0.820 1.201) 4.923 9.893 ( 2.356 0.971 2.116) 3.312 10.152 ( 9.254 2.874 0.979) 9.739 10.356 ( 0.800 -1.546 0.577) 1.833 10.394 ( 2.052 -0.076 -2.478) 3.219 10.518 ( 3.604 1.101 0.883) 3.871 10.633 ( 1.932 -1.512 0.111) 2.456 10.810 ( -0.944 1.420 -0.440) 1.761 10.994 ( -9.964 0.385 2.219) 10.215 11.177 ( -3.807 -0.210 -4.041) 5.556 11.677 ( 3.741 6.141 -1.417) 7.329 12.069 ( -5.062 2.055 0.543) 5.490 12.230 ( -2.592 -1.556 1.661) 3.450 12.424 ( -0.288 -1.016 -1.805) 2.091 13.013 ( 0.200 -0.654 1.011) 1.220 13.036 ( 1.787 -0.406 -1.302) 2.248 13.539 ( 0.219 -2.280 0.836) 2.438 13.661 ( -4.485 -1.359 0.203) 4.691 13.775 ( 1.837 -2.405 1.040) 3.200 13.919 ( -2.958 -3.842 -0.303) 4.858 14.106 ( -3.779 -9.250 1.405) 10.091 14.328 ( -3.525 -5.052 3.456) 7.063 14.528 ( -3.135 -0.715 -5.021) 5.963 15.061 ( -13.472 3.681 -5.575) 15.037 16.317 ( 11.453 15.151 0.811) 19.010 16.406 ( 1.537 13.951 5.875) 15.215 17.909 ( 0.693 -0.580 0.008) 0.903 17.953 ( 1.777 0.050 -0.567) 1.866 ======================= Grid point 358 (166/168) ======================= q-point: (-0.18 -0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -22.562 -0.000 5.082) 23.127 0.902 ( -17.330 -0.000 11.577) 20.841 1.074 ( -8.658 -0.000 4.159) 9.605 1.309 ( -20.926 -0.000 14.427) 25.417 1.538 ( -14.515 -0.000 2.352) 14.705 1.905 ( -6.555 -0.000 -10.088) 12.030 2.122 ( -12.213 -0.000 -11.447) 16.739 2.381 ( 5.057 0.000 19.026) 19.687 2.528 ( 4.797 0.000 -12.929) 13.790 2.534 ( 6.213 0.000 -1.899) 6.496 2.846 ( 0.656 0.000 -0.811) 1.043 2.912 ( 2.135 0.000 -1.056) 2.382 3.192 ( 0.701 0.000 4.054) 4.114 3.395 ( 7.891 0.000 0.228) 7.894 3.659 ( 5.305 0.000 -4.698) 7.086 3.775 ( -0.823 -0.000 -7.310) 7.356 4.223 ( 0.741 0.000 5.406) 5.457 4.270 ( -2.610 -0.000 3.338) 4.237 4.512 ( 1.721 0.000 -1.230) 2.115 4.589 ( -2.463 -0.000 3.178) 4.021 4.737 ( -2.628 -0.000 3.351) 4.258 4.871 ( -0.828 -0.000 -1.716) 1.906 5.095 ( 2.404 0.000 0.453) 2.447 5.333 ( 3.432 0.000 -3.891) 5.189 5.334 ( -2.767 -0.000 -2.837) 3.962 5.587 ( -1.984 -0.000 0.122) 1.988 5.742 ( 5.591 0.000 -2.101) 5.973 5.769 ( 3.817 0.000 1.142) 3.984 5.818 ( -2.258 -0.000 2.949) 3.714 6.369 ( 2.539 0.000 1.218) 2.816 6.419 ( 8.832 0.000 -0.936) 8.881 6.422 ( -6.141 -0.000 -14.536) 15.781 6.888 ( 11.098 0.000 13.909) 17.794 7.025 ( 0.885 0.000 0.213) 0.910 7.293 ( 0.605 0.000 2.476) 2.549 7.752 ( 1.596 0.000 0.502) 1.673 7.992 ( 0.068 0.000 0.111) 0.130 8.210 ( 1.542 0.000 2.356) 2.816 8.302 ( -0.684 -0.000 -0.529) 0.865 8.396 ( -3.221 -0.000 1.127) 3.413 8.535 ( 3.238 0.000 -1.927) 3.768 8.583 ( 2.558 0.000 -0.472) 2.601 9.190 ( -4.743 -0.000 -2.049) 5.167 9.287 ( -1.816 -0.000 1.385) 2.284 9.803 ( 5.583 0.000 5.640) 7.935 9.861 ( 5.132 0.000 -2.501) 5.709 10.248 ( 4.466 0.000 -1.550) 4.728 10.250 ( 2.593 0.000 2.485) 3.592 10.392 ( 6.250 0.000 1.287) 6.381 10.528 ( 8.382 0.000 0.191) 8.384 10.633 ( -0.352 -0.000 0.072) 0.359 10.843 ( -0.735 -0.000 1.087) 1.312 11.034 ( -9.606 -0.000 1.434) 9.712 11.167 ( -6.130 -0.000 -9.489) 11.297 11.800 ( 7.327 0.000 -2.557) 7.761 12.103 ( -5.742 -0.000 -0.411) 5.757 12.212 ( -1.644 -0.000 0.963) 1.905 12.420 ( -6.088 -0.000 0.942) 6.160 13.002 ( 1.732 0.000 0.285) 1.755 13.019 ( 1.246 0.000 1.213) 1.739 13.509 ( -1.420 -0.000 0.778) 1.619 13.636 ( -8.805 -0.000 1.224) 8.890 13.722 ( 1.982 0.000 1.995) 2.812 13.851 ( -2.135 -0.000 -1.204) 2.451 13.912 ( -2.894 -0.000 -0.082) 2.895 14.139 ( -5.048 -0.000 -0.141) 5.050 14.530 ( -4.970 -0.000 -4.018) 6.391 15.134 ( -15.344 -0.000 -7.063) 16.891 16.602 ( 14.410 0.000 2.251) 14.584 16.781 ( 7.304 0.000 6.967) 10.094 17.896 ( 0.809 0.000 -0.168) 0.826 17.933 ( 0.567 0.000 0.434) 0.714 ======================= Grid point 359 (167/168) ======================= q-point: (-0.09 -0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -14.842 1.024 12.520) 19.445 0.853 ( -14.868 -7.544 11.061) 20.008 1.083 ( -6.591 -5.578 4.351) 9.669 1.440 ( -13.247 -15.067 14.404) 24.698 1.469 ( -12.494 -5.330 4.833) 14.417 1.803 ( -8.686 -1.577 -11.706) 14.661 1.978 ( -15.220 -3.789 -11.427) 19.405 2.466 ( 2.559 2.785 7.334) 8.252 2.523 ( 6.538 -2.059 -3.968) 7.920 2.639 ( 4.943 -5.960 -1.763) 7.941 2.782 ( -0.460 4.911 -3.460) 6.025 2.972 ( 3.175 -3.309 3.766) 5.934 3.220 ( 2.460 1.088 2.941) 3.985 3.428 ( 6.788 2.907 -1.521) 7.539 3.606 ( 1.856 6.172 -3.782) 7.473 3.730 ( -2.796 -0.353 -7.744) 8.241 4.195 ( 0.931 3.546 1.831) 4.098 4.268 ( -0.469 2.526 2.730) 3.749 4.539 ( 0.295 -1.682 0.642) 1.825 4.592 ( -3.036 -1.444 2.441) 4.155 4.723 ( -2.153 1.087 2.803) 3.698 4.861 ( 0.135 0.180 -2.041) 2.053 5.138 ( 4.333 -1.173 0.134) 4.491 5.271 ( 0.224 4.974 -0.523) 5.007 5.327 ( 1.309 0.753 -1.409) 2.065 5.532 ( -5.856 0.847 -0.349) 5.927 5.651 ( 3.621 7.454 -0.256) 8.290 5.849 ( -3.878 -1.691 0.027) 4.230 5.898 ( 1.693 -4.509 1.517) 5.049 6.201 ( 0.498 7.467 -3.562) 8.288 6.412 ( 2.667 2.877 -3.334) 5.148 6.421 ( 2.540 2.281 -1.193) 3.617 6.807 ( 4.114 11.117 4.576) 12.706 7.101 ( 1.666 2.598 2.524) 3.987 7.326 ( 4.031 1.872 7.304) 8.550 7.754 ( 2.530 2.618 2.097) 4.201 8.045 ( -0.655 -3.233 -1.826) 3.770 8.236 ( -1.385 -1.910 0.075) 2.361 8.381 ( 1.993 -3.912 0.414) 4.410 8.459 ( 0.014 -12.458 1.197) 12.515 8.565 ( 2.495 -1.836 -2.653) 4.078 8.729 ( 4.718 -13.982 -3.857) 15.253 9.161 ( -3.146 -0.782 0.661) 3.309 9.286 ( -1.143 -0.768 0.362) 1.424 9.810 ( 5.634 3.717 0.469) 6.766 9.921 ( 2.421 -0.664 0.319) 2.530 10.267 ( 9.334 -0.115 3.515) 9.975 10.337 ( 2.156 -2.291 0.159) 3.150 10.428 ( 5.416 2.393 0.548) 5.947 10.577 ( 5.029 1.200 1.572) 5.403 10.632 ( 0.528 0.154 0.993) 1.135 10.830 ( 0.070 1.421 -0.718) 1.594 10.936 ( -10.900 1.445 2.217) 11.217 11.089 ( -8.350 -2.211 -6.072) 10.558 11.811 ( 7.381 4.851 -2.325) 9.133 12.042 ( -6.472 0.823 -1.844) 6.779 12.205 ( -1.737 -0.250 1.798) 2.513 12.375 ( -3.998 -1.665 -3.535) 5.590 13.008 ( -0.274 -0.205 0.707) 0.785 13.036 ( 0.230 -0.214 -0.388) 0.500 13.507 ( -1.041 -1.507 0.513) 1.902 13.591 ( -6.808 -1.971 0.461) 7.103 13.758 ( 0.783 -1.439 1.844) 2.467 13.843 ( -2.132 -2.320 -2.253) 3.874 13.961 ( -1.387 -5.748 3.226) 6.736 14.185 ( -2.559 -8.584 -1.724) 9.121 14.488 ( -3.525 0.169 1.491) 3.832 14.975 ( -12.174 1.702 -6.622) 13.963 16.632 ( 11.353 9.710 1.159) 14.984 16.715 ( 4.080 15.562 6.561) 17.374 17.906 ( 0.790 -0.430 0.118) 0.907 17.953 ( 1.114 -1.106 -0.674) 1.708 ======================= Grid point 370 (168/168) ======================= q-point: (-0.09 -0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -10.901 -0.000 12.160) 16.331 0.823 ( -9.491 -0.000 18.655) 20.931 1.019 ( -5.020 -0.000 8.378) 9.766 1.291 ( -9.720 -0.000 29.623) 31.177 1.334 ( -11.749 -0.000 -2.070) 11.930 1.644 ( -13.451 -0.000 -12.618) 18.443 1.766 ( -11.040 -0.000 -15.748) 19.232 2.446 ( -2.490 -0.000 -12.961) 13.198 2.575 ( 5.936 0.000 -6.350) 8.693 2.684 ( 11.181 0.000 12.905) 17.076 2.814 ( -3.477 -0.000 0.745) 3.556 2.974 ( 4.767 0.000 3.837) 6.119 3.280 ( 4.551 0.000 5.001) 6.761 3.496 ( 6.691 0.000 -7.341) 9.932 3.631 ( -5.660 -0.000 -10.980) 12.353 3.659 ( 0.367 0.000 -5.772) 5.784 4.280 ( 1.585 0.000 1.521) 2.197 4.285 ( -0.038 -0.000 5.204) 5.204 4.538 ( 2.421 0.000 -0.317) 2.441 4.547 ( -5.711 -0.000 3.860) 6.893 4.729 ( -2.160 -0.000 3.535) 4.142 4.859 ( 1.233 0.000 -2.305) 2.614 5.162 ( 5.494 0.000 0.692) 5.538 5.296 ( -1.487 -0.000 0.927) 1.752 5.340 ( 1.489 0.000 -2.805) 3.176 5.488 ( -8.415 -0.000 -2.897) 8.900 5.797 ( 4.432 0.000 -2.691) 5.185 5.810 ( -3.192 -0.000 4.391) 5.429 5.836 ( 2.948 0.000 1.934) 3.526 6.201 ( -6.769 -0.000 -7.893) 10.398 6.413 ( 1.295 0.000 1.167) 1.743 6.476 ( 3.297 0.000 -4.878) 5.887 7.056 ( 2.108 0.000 1.473) 2.572 7.091 ( 5.271 0.000 1.113) 5.387 7.521 ( 11.068 0.000 11.285) 15.806 7.837 ( 7.314 0.000 4.924) 8.817 7.951 ( -2.960 -0.000 -3.889) 4.887 8.214 ( -2.343 -0.000 -1.374) 2.716 8.303 ( 0.994 0.000 0.980) 1.396 8.362 ( -1.319 -0.000 0.931) 1.614 8.557 ( 1.846 0.000 -2.516) 3.120 8.583 ( -1.978 -0.000 -1.620) 2.557 9.151 ( 0.304 0.000 2.444) 2.462 9.271 ( -1.160 -0.000 -0.094) 1.164 9.911 ( 4.326 0.000 -2.670) 5.084 9.918 ( 3.410 0.000 0.773) 3.497 10.313 ( 4.084 0.000 0.807) 4.163 10.372 ( 9.318 0.000 2.978) 9.782 10.521 ( 7.231 0.000 2.692) 7.715 10.639 ( 2.696 0.000 1.488) 3.079 10.647 ( 0.766 0.000 1.800) 1.957 10.846 ( 1.728 0.000 -2.181) 2.782 10.894 ( -9.417 -0.000 2.944) 9.867 10.934 ( -12.027 -0.000 -4.532) 12.852 11.904 ( 7.096 0.000 -3.112) 7.749 11.983 ( -6.644 -0.000 -2.937) 7.264 12.209 ( 0.372 0.000 0.675) 0.771 12.292 ( -4.873 -0.000 -2.997) 5.721 13.002 ( -1.332 -0.000 -0.072) 1.333 13.032 ( -1.070 -0.000 0.652) 1.253 13.481 ( -1.743 -0.000 0.040) 1.743 13.507 ( -7.828 -0.000 1.181) 7.917 13.761 ( -0.031 -0.000 2.436) 2.436 13.793 ( -0.702 -0.000 -2.321) 2.425 13.933 ( 0.820 0.000 2.280) 2.423 14.058 ( -3.570 -0.000 -1.967) 4.076 14.485 ( -2.930 -0.000 6.485) 7.116 14.873 ( -8.974 -0.000 -7.007) 11.386 16.805 ( 8.817 0.000 1.896) 9.019 16.944 ( 6.828 0.000 0.504) 6.847 17.909 ( 0.823 0.000 0.285) 0.871 17.940 ( 0.027 0.000 0.004) 0.027 =================== 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 3/43560 10.0 119.424 82.319 86.901 -0.000 -0.500 0.000 3/43560 20.0 22.487 14.877 15.870 -0.000 0.594 0.000 3/43560 30.0 9.437 6.317 6.847 -0.000 0.432 0.000 3/43560 40.0 5.384 3.669 4.028 -0.000 0.301 0.000 3/43560 50.0 3.611 2.502 2.765 -0.000 0.221 0.000 3/43560 60.0 2.673 1.881 2.082 -0.000 0.173 0.000 3/43560 70.0 2.113 1.507 1.667 -0.000 0.142 0.000 3/43560 80.0 1.747 1.262 1.393 -0.000 0.120 0.000 3/43560 90.0 1.492 1.092 1.199 -0.000 0.105 0.000 3/43560 100.0 1.306 0.967 1.057 -0.000 0.094 0.000 3/43560 110.0 1.165 0.872 0.947 -0.000 0.085 0.000 3/43560 120.0 1.053 0.797 0.861 -0.000 0.077 0.000 3/43560 130.0 0.964 0.737 0.791 -0.000 0.072 0.000 3/43560 140.0 0.889 0.687 0.733 -0.000 0.066 0.000 3/43560 150.0 0.827 0.645 0.684 -0.000 0.062 0.000 3/43560 160.0 0.774 0.609 0.642 -0.000 0.058 0.000 3/43560 170.0 0.728 0.577 0.605 -0.000 0.055 0.000 3/43560 180.0 0.688 0.550 0.573 -0.000 0.052 0.000 3/43560 190.0 0.652 0.525 0.544 -0.000 0.050 0.000 3/43560 200.0 0.620 0.502 0.519 -0.000 0.047 0.000 3/43560 210.0 0.591 0.482 0.495 -0.000 0.045 0.000 3/43560 220.0 0.565 0.464 0.474 -0.000 0.043 0.000 3/43560 230.0 0.542 0.447 0.455 -0.000 0.042 0.000 3/43560 240.0 0.520 0.431 0.438 -0.000 0.040 0.000 3/43560 250.0 0.500 0.417 0.421 -0.000 0.038 0.000 3/43560 260.0 0.482 0.403 0.406 -0.000 0.037 0.000 3/43560 270.0 0.465 0.390 0.392 -0.000 0.036 0.000 3/43560 280.0 0.449 0.378 0.379 -0.000 0.035 0.000 3/43560 290.0 0.434 0.367 0.367 -0.000 0.033 0.000 3/43560 300.0 0.420 0.357 0.355 -0.000 0.032 0.000 3/43560 310.0 0.407 0.347 0.345 -0.000 0.031 0.000 3/43560 320.0 0.395 0.337 0.335 -0.000 0.030 0.000 3/43560 330.0 0.384 0.328 0.325 -0.000 0.030 0.000 3/43560 340.0 0.373 0.320 0.316 -0.000 0.029 0.000 3/43560 350.0 0.363 0.312 0.308 -0.000 0.028 0.000 3/43560 360.0 0.353 0.304 0.300 -0.000 0.027 0.000 3/43560 370.0 0.344 0.297 0.292 -0.000 0.027 0.000 3/43560 380.0 0.335 0.290 0.285 -0.000 0.026 0.000 3/43560 390.0 0.327 0.283 0.278 -0.000 0.025 0.000 3/43560 400.0 0.319 0.277 0.271 -0.000 0.025 0.000 3/43560 410.0 0.311 0.271 0.265 -0.000 0.024 0.000 3/43560 420.0 0.304 0.265 0.259 -0.000 0.023 0.000 3/43560 430.0 0.297 0.259 0.253 -0.000 0.023 0.000 3/43560 440.0 0.291 0.254 0.248 -0.000 0.022 0.000 3/43560 450.0 0.284 0.249 0.242 -0.000 0.022 0.000 3/43560 460.0 0.278 0.244 0.237 -0.000 0.021 0.000 3/43560 470.0 0.273 0.239 0.232 -0.000 0.021 0.000 3/43560 480.0 0.267 0.234 0.228 -0.000 0.021 0.000 3/43560 490.0 0.262 0.230 0.223 -0.000 0.020 0.000 3/43560 500.0 0.257 0.226 0.219 -0.000 0.020 0.000 3/43560 510.0 0.252 0.221 0.215 -0.000 0.019 0.000 3/43560 520.0 0.247 0.217 0.211 -0.000 0.019 0.000 3/43560 530.0 0.243 0.214 0.207 -0.000 0.019 0.000 3/43560 540.0 0.238 0.210 0.203 -0.000 0.018 0.000 3/43560 550.0 0.234 0.206 0.200 -0.000 0.018 0.000 3/43560 560.0 0.230 0.203 0.196 -0.000 0.018 0.000 3/43560 570.0 0.226 0.199 0.193 -0.000 0.017 0.000 3/43560 580.0 0.222 0.196 0.190 -0.000 0.017 0.000 3/43560 590.0 0.218 0.193 0.186 -0.000 0.017 0.000 3/43560 600.0 0.215 0.190 0.183 -0.000 0.017 0.000 3/43560 610.0 0.211 0.187 0.181 -0.000 0.016 0.000 3/43560 620.0 0.208 0.184 0.178 -0.000 0.016 0.000 3/43560 630.0 0.205 0.181 0.175 -0.000 0.016 0.000 3/43560 640.0 0.202 0.179 0.172 -0.000 0.016 0.000 3/43560 650.0 0.199 0.176 0.170 -0.000 0.015 0.000 3/43560 660.0 0.196 0.174 0.167 -0.000 0.015 0.000 3/43560 670.0 0.193 0.171 0.165 -0.000 0.015 0.000 3/43560 680.0 0.190 0.169 0.162 -0.000 0.015 0.000 3/43560 690.0 0.187 0.166 0.160 -0.000 0.014 0.000 3/43560 700.0 0.185 0.164 0.158 -0.000 0.014 0.000 3/43560 710.0 0.182 0.162 0.156 -0.000 0.014 0.000 3/43560 720.0 0.180 0.160 0.153 -0.000 0.014 0.000 3/43560 730.0 0.177 0.158 0.151 -0.000 0.014 0.000 3/43560 740.0 0.175 0.155 0.149 -0.000 0.013 0.000 3/43560 750.0 0.173 0.153 0.147 -0.000 0.013 0.000 3/43560 760.0 0.170 0.152 0.146 -0.000 0.013 0.000 3/43560 770.0 0.168 0.150 0.144 -0.000 0.013 0.000 3/43560 780.0 0.166 0.148 0.142 -0.000 0.013 0.000 3/43560 790.0 0.164 0.146 0.140 -0.000 0.013 0.000 3/43560 800.0 0.162 0.144 0.138 -0.000 0.012 0.000 3/43560 810.0 0.160 0.142 0.137 -0.000 0.012 0.000 3/43560 820.0 0.158 0.141 0.135 -0.000 0.012 0.000 3/43560 830.0 0.156 0.139 0.133 -0.000 0.012 0.000 3/43560 840.0 0.154 0.138 0.132 -0.000 0.012 0.000 3/43560 850.0 0.152 0.136 0.130 -0.000 0.012 0.000 3/43560 860.0 0.151 0.134 0.129 -0.000 0.012 0.000 3/43560 870.0 0.149 0.133 0.127 -0.000 0.011 0.000 3/43560 880.0 0.147 0.131 0.126 -0.000 0.011 0.000 3/43560 890.0 0.146 0.130 0.125 -0.000 0.011 0.000 3/43560 900.0 0.144 0.129 0.123 -0.000 0.011 0.000 3/43560 910.0 0.142 0.127 0.122 -0.000 0.011 0.000 3/43560 920.0 0.141 0.126 0.121 -0.000 0.011 0.000 3/43560 930.0 0.139 0.125 0.119 -0.000 0.011 0.000 3/43560 940.0 0.138 0.123 0.118 -0.000 0.011 0.000 3/43560 950.0 0.137 0.122 0.117 -0.000 0.011 0.000 3/43560 960.0 0.135 0.121 0.116 -0.000 0.010 0.000 3/43560 970.0 0.134 0.120 0.114 -0.000 0.010 0.000 3/43560 980.0 0.132 0.118 0.113 -0.000 0.010 0.000 3/43560 990.0 0.131 0.117 0.112 -0.000 0.010 0.000 3/43560 1000.0 0.130 0.116 0.111 -0.000 0.010 0.000 3/43560 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:15:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|