----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:45:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454720070007808 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -6.357737015667130 0.000000000000000 9.878588680864324 Atomic positions (fractional): *1 P 0.94372544999757 0.14946342085363 0.84917876879088 30.974 2 P 0.05627455000243 0.64946342085363 0.65082123120912 30.974 3 P 0.05627455000243 0.85053657914637 0.15082123120912 30.974 4 P 0.94372544999757 0.35053657914637 0.34917876879088 30.974 *5 P 0.29794277634192 0.50931824653627 0.69085276052694 30.974 6 P 0.70205722365808 0.00931824653627 0.80914723947306 30.974 *7 P 0.36918142289707 0.31068467063041 0.04259279666242 30.974 8 P 0.63081857710293 0.81068467063041 0.45740720333758 30.974 9 P 0.63081857710293 0.68931532936959 0.95740720333758 30.974 10 P 0.36918142289707 0.18931532936959 0.54259279666242 30.974 *11 P 0.68282517107721 0.41328268129717 0.13342266909667 30.974 12 P 0.31717482892279 0.91328268129717 0.36657733090333 30.974 13 P 0.31717482892279 0.58671731870283 0.86657733090333 30.974 14 P 0.68282517107721 0.08671731870283 0.63342266909667 30.974 *15 P 0.36241997612353 0.28104395647171 0.22469732243195 30.974 16 P 0.63758002387647 0.78104395647171 0.27530267756805 30.974 17 P 0.63758002387647 0.71895604352829 0.77530267756805 30.974 18 P 0.36241997612353 0.21895604352828 0.72469732243195 30.974 *19 P 0.39499831984780 0.43339895240578 0.31669821116605 30.974 20 P 0.60500168015220 0.93339895240578 0.18330178883395 30.974 21 P 0.60500168015220 0.56660104759422 0.68330178883395 30.974 22 P 0.39499831984780 0.06660104759422 0.81669821116605 30.974 *23 P 0.73705564991234 0.22274320448762 0.35968212298664 30.974 24 P 0.26294435008766 0.72274320448761 0.14031787701336 30.974 25 P 0.26294435008766 0.77725679551239 0.64031787701336 30.974 26 P 0.73705564991234 0.27725679551239 0.85968212298664 30.974 27 P 0.29794277634192 0.99068175346373 0.19085276052694 30.974 28 P 0.70205722365808 0.49068175346373 0.30914723947306 30.974 *29 Ba 0.83098732673205 0.35024826691873 0.62179426841296 137.327 30 Ba 0.16901267326795 0.85024826691873 0.87820573158704 137.327 31 Ba 0.16901267326795 0.64975173308127 0.37820573158704 137.327 32 Ba 0.83098732673205 0.14975173308127 0.12179426841296 137.327 *33 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 34 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.454720070007808 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -6.357737015667130 0.000000000000000 9.878588680864324 Atomic positions (fractional): *1 P 0.94372544999757 0.14946342085363 0.84917876879088 30.974 > 1 2 P 0.05627455000243 0.64946342085363 0.65082123120912 30.974 > 2 3 P 0.05627455000243 0.85053657914637 0.15082123120912 30.974 > 3 4 P 0.94372544999757 0.35053657914637 0.34917876879088 30.974 > 4 *5 P 0.29794277634192 0.50931824653627 0.69085276052694 30.974 > 5 6 P 0.70205722365808 0.00931824653627 0.80914723947306 30.974 > 6 *7 P 0.36918142289707 0.31068467063041 0.04259279666242 30.974 > 7 8 P 0.63081857710293 0.81068467063041 0.45740720333758 30.974 > 8 9 P 0.63081857710293 0.68931532936959 0.95740720333758 30.974 > 9 10 P 0.36918142289707 0.18931532936959 0.54259279666242 30.974 > 10 *11 P 0.68282517107721 0.41328268129717 0.13342266909667 30.974 > 11 12 P 0.31717482892279 0.91328268129717 0.36657733090333 30.974 > 12 13 P 0.31717482892279 0.58671731870283 0.86657733090333 30.974 > 13 14 P 0.68282517107721 0.08671731870283 0.63342266909667 30.974 > 14 *15 P 0.36241997612353 0.28104395647171 0.22469732243195 30.974 > 15 16 P 0.63758002387647 0.78104395647171 0.27530267756805 30.974 > 16 17 P 0.63758002387647 0.71895604352829 0.77530267756805 30.974 > 17 18 P 0.36241997612353 0.21895604352828 0.72469732243195 30.974 > 18 *19 P 0.39499831984780 0.43339895240578 0.31669821116605 30.974 > 19 20 P 0.60500168015220 0.93339895240578 0.18330178883395 30.974 > 20 21 P 0.60500168015220 0.56660104759422 0.68330178883395 30.974 > 21 22 P 0.39499831984780 0.06660104759422 0.81669821116605 30.974 > 22 *23 P 0.73705564991234 0.22274320448762 0.35968212298664 30.974 > 23 24 P 0.26294435008766 0.72274320448761 0.14031787701336 30.974 > 24 25 P 0.26294435008766 0.77725679551239 0.64031787701336 30.974 > 25 26 P 0.73705564991234 0.27725679551239 0.85968212298664 30.974 > 26 27 P 0.29794277634192 0.99068175346373 0.19085276052694 30.974 > 27 28 P 0.70205722365808 0.49068175346373 0.30914723947306 30.974 > 28 *29 Ba 0.83098732673205 0.35024826691873 0.62179426841296 137.327 > 29 30 Ba 0.16901267326795 0.85024826691873 0.87820573158704 137.327 > 30 31 Ba 0.16901267326795 0.64975173308127 0.37820573158704 137.327 > 31 32 Ba 0.83098732673205 0.14975173308127 0.12179426841296 137.327 > 32 *33 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 33 34 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.909440140015615 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -12.715474031334260 0.000000000000000 19.757177361728647 Atomic positions (fractional): *1 P 0.47186272499879 0.14946342085363 0.42458938439544 30.974 > 1 2 P 0.97186272499879 0.14946342085363 0.42458938439544 30.974 > 1 3 P 0.47186272499879 0.14946342085363 0.92458938439544 30.974 > 1 4 P 0.97186272499879 0.14946342085363 0.92458938439544 30.974 > 1 5 P 0.02813727500122 0.64946342085363 0.32541061560456 30.974 > 2 6 P 0.52813727500121 0.64946342085363 0.32541061560456 30.974 > 2 7 P 0.02813727500122 0.64946342085363 0.82541061560456 30.974 > 2 8 P 0.52813727500121 0.64946342085363 0.82541061560456 30.974 > 2 9 P 0.02813727500122 0.85053657914637 0.07541061560456 30.974 > 3 10 P 0.52813727500121 0.85053657914637 0.07541061560456 30.974 > 3 11 P 0.02813727500122 0.85053657914637 0.57541061560456 30.974 > 3 12 P 0.52813727500121 0.85053657914637 0.57541061560456 30.974 > 3 13 P 0.47186272499879 0.35053657914637 0.17458938439544 30.974 > 4 14 P 0.97186272499879 0.35053657914637 0.17458938439544 30.974 > 4 15 P 0.47186272499879 0.35053657914637 0.67458938439544 30.974 > 4 16 P 0.97186272499879 0.35053657914637 0.67458938439544 30.974 > 4 *17 P 0.14897138817096 0.50931824653627 0.34542638026347 30.974 > 5 18 P 0.64897138817096 0.50931824653627 0.34542638026347 30.974 > 5 19 P 0.14897138817096 0.50931824653627 0.84542638026347 30.974 > 5 20 P 0.64897138817096 0.50931824653627 0.84542638026347 30.974 > 5 21 P 0.35102861182904 0.00931824653627 0.40457361973653 30.974 > 6 22 P 0.85102861182904 0.00931824653627 0.40457361973653 30.974 > 6 23 P 0.35102861182904 0.00931824653627 0.90457361973653 30.974 > 6 24 P 0.85102861182904 0.00931824653627 0.90457361973653 30.974 > 6 *25 P 0.18459071144853 0.31068467063041 0.02129639833121 30.974 > 7 26 P 0.68459071144853 0.31068467063041 0.02129639833121 30.974 > 7 27 P 0.18459071144853 0.31068467063041 0.52129639833121 30.974 > 7 28 P 0.68459071144853 0.31068467063041 0.52129639833121 30.974 > 7 29 P 0.31540928855147 0.81068467063041 0.22870360166879 30.974 > 8 30 P 0.81540928855147 0.81068467063041 0.22870360166879 30.974 > 8 31 P 0.31540928855147 0.81068467063041 0.72870360166879 30.974 > 8 32 P 0.81540928855147 0.81068467063041 0.72870360166879 30.974 > 8 33 P 0.31540928855147 0.68931532936959 0.47870360166879 30.974 > 9 34 P 0.81540928855147 0.68931532936959 0.47870360166879 30.974 > 9 35 P 0.31540928855147 0.68931532936959 0.97870360166879 30.974 > 9 36 P 0.81540928855147 0.68931532936959 0.97870360166879 30.974 > 9 37 P 0.18459071144853 0.18931532936959 0.27129639833121 30.974 > 10 38 P 0.68459071144853 0.18931532936959 0.27129639833121 30.974 > 10 39 P 0.18459071144853 0.18931532936959 0.77129639833121 30.974 > 10 40 P 0.68459071144853 0.18931532936959 0.77129639833121 30.974 > 10 *41 P 0.34141258553860 0.41328268129717 0.06671133454833 30.974 > 11 42 P 0.84141258553860 0.41328268129717 0.06671133454833 30.974 > 11 43 P 0.34141258553860 0.41328268129717 0.56671133454833 30.974 > 11 44 P 0.84141258553860 0.41328268129717 0.56671133454833 30.974 > 11 45 P 0.15858741446140 0.91328268129717 0.18328866545167 30.974 > 12 46 P 0.65858741446140 0.91328268129717 0.18328866545167 30.974 > 12 47 P 0.15858741446140 0.91328268129717 0.68328866545167 30.974 > 12 48 P 0.65858741446140 0.91328268129717 0.68328866545167 30.974 > 12 49 P 0.15858741446140 0.58671731870283 0.43328866545167 30.974 > 13 50 P 0.65858741446140 0.58671731870283 0.43328866545167 30.974 > 13 51 P 0.15858741446140 0.58671731870283 0.93328866545167 30.974 > 13 52 P 0.65858741446140 0.58671731870283 0.93328866545167 30.974 > 13 53 P 0.34141258553860 0.08671731870283 0.31671133454833 30.974 > 14 54 P 0.84141258553860 0.08671731870283 0.31671133454833 30.974 > 14 55 P 0.34141258553860 0.08671731870283 0.81671133454833 30.974 > 14 56 P 0.84141258553860 0.08671731870283 0.81671133454833 30.974 > 14 *57 P 0.18120998806177 0.28104395647171 0.11234866121598 30.974 > 15 58 P 0.68120998806177 0.28104395647171 0.11234866121598 30.974 > 15 59 P 0.18120998806177 0.28104395647171 0.61234866121598 30.974 > 15 60 P 0.68120998806177 0.28104395647171 0.61234866121598 30.974 > 15 61 P 0.31879001193823 0.78104395647171 0.13765133878402 30.974 > 16 62 P 0.81879001193823 0.78104395647171 0.13765133878402 30.974 > 16 63 P 0.31879001193823 0.78104395647171 0.63765133878402 30.974 > 16 64 P 0.81879001193823 0.78104395647171 0.63765133878402 30.974 > 16 65 P 0.31879001193823 0.71895604352829 0.38765133878402 30.974 > 17 66 P 0.81879001193823 0.71895604352829 0.38765133878402 30.974 > 17 67 P 0.31879001193823 0.71895604352829 0.88765133878402 30.974 > 17 68 P 0.81879001193823 0.71895604352829 0.88765133878402 30.974 > 17 69 P 0.18120998806177 0.21895604352828 0.36234866121598 30.974 > 18 70 P 0.68120998806177 0.21895604352828 0.36234866121598 30.974 > 18 71 P 0.18120998806177 0.21895604352828 0.86234866121598 30.974 > 18 72 P 0.68120998806177 0.21895604352828 0.86234866121598 30.974 > 18 *73 P 0.19749915992390 0.43339895240578 0.15834910558303 30.974 > 19 74 P 0.69749915992390 0.43339895240578 0.15834910558303 30.974 > 19 75 P 0.19749915992390 0.43339895240578 0.65834910558303 30.974 > 19 76 P 0.69749915992390 0.43339895240578 0.65834910558303 30.974 > 19 77 P 0.30250084007610 0.93339895240578 0.09165089441697 30.974 > 20 78 P 0.80250084007610 0.93339895240578 0.09165089441697 30.974 > 20 79 P 0.30250084007610 0.93339895240578 0.59165089441697 30.974 > 20 80 P 0.80250084007610 0.93339895240578 0.59165089441697 30.974 > 20 81 P 0.30250084007610 0.56660104759422 0.34165089441697 30.974 > 21 82 P 0.80250084007610 0.56660104759422 0.34165089441697 30.974 > 21 83 P 0.30250084007610 0.56660104759422 0.84165089441697 30.974 > 21 84 P 0.80250084007610 0.56660104759422 0.84165089441697 30.974 > 21 85 P 0.19749915992390 0.06660104759422 0.40834910558303 30.974 > 22 86 P 0.69749915992390 0.06660104759422 0.40834910558303 30.974 > 22 87 P 0.19749915992390 0.06660104759422 0.90834910558303 30.974 > 22 88 P 0.69749915992390 0.06660104759422 0.90834910558303 30.974 > 22 *89 P 0.36852782495617 0.22274320448762 0.17984106149332 30.974 > 23 90 P 0.86852782495617 0.22274320448762 0.17984106149332 30.974 > 23 91 P 0.36852782495617 0.22274320448762 0.67984106149332 30.974 > 23 92 P 0.86852782495617 0.22274320448762 0.67984106149332 30.974 > 23 93 P 0.13147217504383 0.72274320448761 0.07015893850668 30.974 > 24 94 P 0.63147217504383 0.72274320448761 0.07015893850668 30.974 > 24 95 P 0.13147217504383 0.72274320448761 0.57015893850668 30.974 > 24 96 P 0.63147217504383 0.72274320448761 0.57015893850668 30.974 > 24 97 P 0.13147217504383 0.77725679551239 0.32015893850668 30.974 > 25 98 P 0.63147217504383 0.77725679551239 0.32015893850668 30.974 > 25 99 P 0.13147217504383 0.77725679551239 0.82015893850668 30.974 > 25 100 P 0.63147217504383 0.77725679551239 0.82015893850668 30.974 > 25 101 P 0.36852782495617 0.27725679551239 0.42984106149332 30.974 > 26 102 P 0.86852782495617 0.27725679551239 0.42984106149332 30.974 > 26 103 P 0.36852782495617 0.27725679551239 0.92984106149332 30.974 > 26 104 P 0.86852782495617 0.27725679551239 0.92984106149332 30.974 > 26 105 P 0.14897138817096 0.99068175346373 0.09542638026347 30.974 > 27 106 P 0.64897138817096 0.99068175346373 0.09542638026347 30.974 > 27 107 P 0.14897138817096 0.99068175346373 0.59542638026347 30.974 > 27 108 P 0.64897138817096 0.99068175346373 0.59542638026347 30.974 > 27 109 P 0.35102861182904 0.49068175346373 0.15457361973653 30.974 > 28 110 P 0.85102861182904 0.49068175346373 0.15457361973653 30.974 > 28 111 P 0.35102861182904 0.49068175346373 0.65457361973653 30.974 > 28 112 P 0.85102861182904 0.49068175346373 0.65457361973653 30.974 > 28 *113 Ba 0.41549366336603 0.35024826691873 0.31089713420648 137.327 > 29 114 Ba 0.91549366336603 0.35024826691873 0.31089713420648 137.327 > 29 115 Ba 0.41549366336603 0.35024826691873 0.81089713420648 137.327 > 29 116 Ba 0.91549366336603 0.35024826691873 0.81089713420648 137.327 > 29 117 Ba 0.08450633663397 0.85024826691873 0.43910286579352 137.327 > 30 118 Ba 0.58450633663397 0.85024826691873 0.43910286579352 137.327 > 30 119 Ba 0.08450633663397 0.85024826691873 0.93910286579352 137.327 > 30 120 Ba 0.58450633663397 0.85024826691873 0.93910286579352 137.327 > 30 121 Ba 0.08450633663397 0.64975173308127 0.18910286579352 137.327 > 31 122 Ba 0.58450633663397 0.64975173308127 0.18910286579352 137.327 > 31 123 Ba 0.08450633663397 0.64975173308127 0.68910286579352 137.327 > 31 124 Ba 0.58450633663397 0.64975173308127 0.68910286579352 137.327 > 31 125 Ba 0.41549366336603 0.14975173308127 0.06089713420648 137.327 > 32 126 Ba 0.91549366336603 0.14975173308127 0.06089713420648 137.327 > 32 127 Ba 0.41549366336603 0.14975173308127 0.56089713420648 137.327 > 32 128 Ba 0.91549366336603 0.14975173308127 0.56089713420648 137.327 > 32 *129 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 33 130 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 33 131 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 33 132 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 33 133 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 34 134 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 34 135 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 34 136 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1354441 0.0000000 0.5295373 0.0000000 8.2479480 0.0000000 0.5295529 0.0000000 9.3310374 -------------------------- Born effective charges -------------------------- 1 P -0.0586525 -0.2319362 -0.2108569 -0.1209192 -0.1079017 0.1096952 -0.1369000 -0.0855730 -0.5453027 2 P -0.0586525 0.2319362 -0.2108569 0.1209192 -0.1079017 -0.1096952 -0.1369000 0.0855730 -0.5453027 3 P -0.0586525 -0.2319362 -0.2108569 -0.1209192 -0.1079017 0.1096952 -0.1369000 -0.0855730 -0.5453027 4 P -0.0586525 0.2319362 -0.2108569 0.1209192 -0.1079017 -0.1096952 -0.1369000 0.0855730 -0.5453027 5 P -0.3099807 0.1320664 -0.0979970 -0.1169269 -0.6612637 -0.1547154 -0.0209898 -0.2893834 -0.2403994 6 P -0.3099807 -0.1320664 -0.0979970 0.1169269 -0.6612637 0.1547154 -0.0209898 0.2893834 -0.2403994 7 P -1.3755483 0.2162832 0.0076558 0.4510962 -1.0058096 0.3221836 -0.1166620 0.2150520 -0.9086387 8 P -1.3755483 -0.2162832 0.0076558 -0.4510962 -1.0058096 -0.3221836 -0.1166620 -0.2150520 -0.9086387 9 P -1.3755483 0.2162832 0.0076558 0.4510962 -1.0058096 0.3221836 -0.1166620 0.2150520 -0.9086387 10 P -1.3755483 -0.2162832 0.0076558 -0.4510962 -1.0058096 -0.3221836 -0.1166620 -0.2150520 -0.9086387 11 P -0.4258942 -0.0358515 0.3767194 -0.2250480 -0.0981029 -0.0385314 0.4801694 0.1837943 -0.7059360 12 P -0.4258942 0.0358515 0.3767194 0.2250480 -0.0981029 0.0385314 0.4801694 -0.1837943 -0.7059360 13 P -0.4258942 -0.0358515 0.3767194 -0.2250480 -0.0981029 -0.0385314 0.4801694 0.1837943 -0.7059360 14 P -0.4258942 0.0358515 0.3767194 0.2250480 -0.0981029 0.0385314 0.4801694 -0.1837943 -0.7059360 15 P -0.3965957 -0.5238213 -0.4395742 -0.2922060 0.2108451 0.0950896 -0.2840899 0.1246411 0.6566365 16 P -0.3965957 0.5238213 -0.4395742 0.2922060 0.2108451 -0.0950896 -0.2840899 -0.1246411 0.6566365 17 P -0.3965957 -0.5238213 -0.4395742 -0.2922060 0.2108451 0.0950896 -0.2840899 0.1246411 0.6566365 18 P -0.3965957 0.5238213 -0.4395742 0.2922060 0.2108451 -0.0950896 -0.2840899 -0.1246411 0.6566365 19 P -0.6705881 0.4657520 -0.0714021 0.3897757 -1.3547601 -0.0963825 -0.2109074 0.0132477 -1.5120545 20 P -0.6705881 -0.4657520 -0.0714021 -0.3897757 -1.3547601 0.0963825 -0.2109074 -0.0132477 -1.5120545 21 P -0.6705881 0.4657520 -0.0714021 0.3897757 -1.3547601 -0.0963825 -0.2109074 0.0132477 -1.5120545 22 P -0.6705881 -0.4657520 -0.0714021 -0.3897757 -1.3547601 0.0963825 -0.2109074 -0.0132477 -1.5120545 23 P -1.0868567 -0.0412043 0.4136999 0.0402718 -1.4530325 0.0734559 0.4201063 -0.0447541 -1.2991491 24 P -1.0868567 0.0412043 0.4136999 -0.0402718 -1.4530325 -0.0734559 0.4201063 0.0447541 -1.2991491 25 P -1.0868567 -0.0412043 0.4136999 0.0402718 -1.4530325 0.0734559 0.4201063 -0.0447541 -1.2991491 26 P -1.0868567 0.0412043 0.4136999 -0.0402718 -1.4530325 -0.0734559 0.4201063 0.0447541 -1.2991491 27 P -0.3099807 -0.1320664 -0.0979970 0.1169269 -0.6612637 0.1547154 -0.0209898 0.2893834 -0.2403994 28 P -0.3099807 0.1320664 -0.0979970 -0.1169269 -0.6612637 -0.1547154 -0.0209898 -0.2893834 -0.2403994 29 Ba 2.7630938 0.4516222 -0.3037138 0.3557791 2.6950874 -0.0220202 -0.4162062 -0.1316188 3.0634684 30 Ba 2.7630938 -0.4516222 -0.3037138 -0.3557791 2.6950874 0.0220202 -0.4162062 0.1316188 3.0634684 31 Ba 2.7630938 0.4516222 -0.3037138 0.3557791 2.6950874 -0.0220202 -0.4162062 -0.1316188 3.0634684 32 Ba 2.7630938 -0.4516222 -0.3037138 -0.3557791 2.6950874 0.0220202 -0.4162062 0.1316188 3.0634684 33 Ba 3.1220451 -0.2571351 0.6509379 -0.0547526 3.5498763 -0.5891148 0.5709591 -0.3338227 2.9827507 34 Ba 3.1220451 0.2571351 0.6509379 0.0547526 3.5498763 0.5891148 0.5709591 0.3338227 2.9827507 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1158 / 1158 (1) 142 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1158 / 1158 (1) 142 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1158 / 1158 (1) 151 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 125 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5364, 5284), data: False |-- (630, 621), data: False |-- (630, 5), data: (630, 14) @ (14, 5) |-- (130, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1158, 1141), data: False |-- (1158, 20), data: (1158, 37) @ (37, 20) |-- (158, 151), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 142), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 142), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 1040 - Time: 1.788 Solver_block: 200 / 1040 - Time: 1.682 Solver_block: 300 / 1040 - Time: 1.681 Solver_block: 400 / 1040 - Time: 1.682 Solver_block: 500 / 1040 - Time: 1.681 Solver_block: 600 / 1040 - Time: 1.679 Solver_block: 700 / 1040 - Time: 1.681 Solver_block: 800 / 1040 - Time: 1.683 Solver_block: 900 / 1040 - Time: 1.681 Solver_block: 1000 / 1040 - Time: 1.683 Solver_block: 1040 / 1040 - Time: 0.759 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.156 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5364 Number of blocks in projector: 5364 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: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1158 / 1158 (1) 142 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1158 / 1158 (1) 142 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1158 Use submatrix version of eigh solver. (1) Block: 500 / 1158 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1158 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1158 / 1158 (1) 151 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 121 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 630 / 630 (1) 125 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5364, 5284), data: False |-- (630, 621), data: False |-- (630, 5), data: (630, 14) @ (14, 5) |-- (130, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (630, 621), data: False |-- (630, 9), data: (630, 18) @ (18, 9) |-- (130, 121), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1158, 1141), data: False |-- (1158, 20), data: (1158, 37) @ (37, 20) |-- (158, 151), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 142), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1158, 1140), data: False |-- (1158, 32), data: (1158, 50) @ (50, 32) |-- (158, 142), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 2026-01-07 18:46:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:46:20]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454720070007808 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -6.357737015667130 0.000000000000000 9.878588680864324 Atomic positions (fractional): 1 P 0.94372544999757 0.14946342085363 0.84917876879088 30.974 2 P 0.05627455000243 0.64946342085363 0.65082123120912 30.974 3 P 0.05627455000243 0.85053657914637 0.15082123120912 30.974 4 P 0.94372544999757 0.35053657914637 0.34917876879088 30.974 5 P 0.29794277634192 0.50931824653627 0.69085276052694 30.974 6 P 0.70205722365808 0.00931824653627 0.80914723947306 30.974 7 P 0.36918142289707 0.31068467063041 0.04259279666242 30.974 8 P 0.63081857710293 0.81068467063041 0.45740720333758 30.974 9 P 0.63081857710293 0.68931532936959 0.95740720333758 30.974 10 P 0.36918142289707 0.18931532936959 0.54259279666242 30.974 11 P 0.68282517107721 0.41328268129717 0.13342266909667 30.974 12 P 0.31717482892279 0.91328268129717 0.36657733090333 30.974 13 P 0.31717482892279 0.58671731870283 0.86657733090333 30.974 14 P 0.68282517107721 0.08671731870283 0.63342266909667 30.974 15 P 0.36241997612353 0.28104395647171 0.22469732243195 30.974 16 P 0.63758002387647 0.78104395647171 0.27530267756805 30.974 17 P 0.63758002387647 0.71895604352829 0.77530267756805 30.974 18 P 0.36241997612353 0.21895604352828 0.72469732243195 30.974 19 P 0.39499831984780 0.43339895240578 0.31669821116605 30.974 20 P 0.60500168015220 0.93339895240578 0.18330178883395 30.974 21 P 0.60500168015220 0.56660104759422 0.68330178883395 30.974 22 P 0.39499831984780 0.06660104759422 0.81669821116605 30.974 23 P 0.73705564991234 0.22274320448762 0.35968212298664 30.974 24 P 0.26294435008766 0.72274320448761 0.14031787701336 30.974 25 P 0.26294435008766 0.77725679551239 0.64031787701336 30.974 26 P 0.73705564991234 0.27725679551239 0.85968212298664 30.974 27 P 0.29794277634192 0.99068175346373 0.19085276052694 30.974 28 P 0.70205722365808 0.49068175346373 0.30914723947306 30.974 29 Ba 0.83098732673205 0.35024826691873 0.62179426841296 137.327 30 Ba 0.16901267326795 0.85024826691873 0.87820573158704 137.327 31 Ba 0.16901267326795 0.64975173308127 0.37820573158704 137.327 32 Ba 0.83098732673205 0.14975173308127 0.12179426841296 137.327 33 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 34 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.909440140015615 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -12.715474031334260 0.000000000000000 19.757177361728647 Atomic positions (fractional): 1 P 0.47186272499879 0.14946342085363 0.42458938439544 30.974 > 1 2 P 0.97186272499879 0.14946342085363 0.42458938439544 30.974 > 1 3 P 0.47186272499879 0.14946342085363 0.92458938439544 30.974 > 1 4 P 0.97186272499879 0.14946342085363 0.92458938439544 30.974 > 1 5 P 0.02813727500122 0.64946342085363 0.32541061560456 30.974 > 5 6 P 0.52813727500121 0.64946342085363 0.32541061560456 30.974 > 5 7 P 0.02813727500122 0.64946342085363 0.82541061560456 30.974 > 5 8 P 0.52813727500121 0.64946342085363 0.82541061560456 30.974 > 5 9 P 0.02813727500122 0.85053657914637 0.07541061560456 30.974 > 9 10 P 0.52813727500121 0.85053657914637 0.07541061560456 30.974 > 9 11 P 0.02813727500122 0.85053657914637 0.57541061560456 30.974 > 9 12 P 0.52813727500121 0.85053657914637 0.57541061560456 30.974 > 9 13 P 0.47186272499879 0.35053657914637 0.17458938439544 30.974 > 13 14 P 0.97186272499879 0.35053657914637 0.17458938439544 30.974 > 13 15 P 0.47186272499879 0.35053657914637 0.67458938439544 30.974 > 13 16 P 0.97186272499879 0.35053657914637 0.67458938439544 30.974 > 13 17 P 0.14897138817096 0.50931824653627 0.34542638026347 30.974 > 17 18 P 0.64897138817096 0.50931824653627 0.34542638026347 30.974 > 17 19 P 0.14897138817096 0.50931824653627 0.84542638026347 30.974 > 17 20 P 0.64897138817096 0.50931824653627 0.84542638026347 30.974 > 17 21 P 0.35102861182904 0.00931824653627 0.40457361973653 30.974 > 21 22 P 0.85102861182904 0.00931824653627 0.40457361973653 30.974 > 21 23 P 0.35102861182904 0.00931824653627 0.90457361973653 30.974 > 21 24 P 0.85102861182904 0.00931824653627 0.90457361973653 30.974 > 21 25 P 0.18459071144853 0.31068467063041 0.02129639833121 30.974 > 25 26 P 0.68459071144853 0.31068467063041 0.02129639833121 30.974 > 25 27 P 0.18459071144853 0.31068467063041 0.52129639833121 30.974 > 25 28 P 0.68459071144853 0.31068467063041 0.52129639833121 30.974 > 25 29 P 0.31540928855147 0.81068467063041 0.22870360166879 30.974 > 29 30 P 0.81540928855147 0.81068467063041 0.22870360166879 30.974 > 29 31 P 0.31540928855147 0.81068467063041 0.72870360166879 30.974 > 29 32 P 0.81540928855147 0.81068467063041 0.72870360166879 30.974 > 29 33 P 0.31540928855147 0.68931532936959 0.47870360166879 30.974 > 33 34 P 0.81540928855147 0.68931532936959 0.47870360166879 30.974 > 33 35 P 0.31540928855147 0.68931532936959 0.97870360166879 30.974 > 33 36 P 0.81540928855147 0.68931532936959 0.97870360166879 30.974 > 33 37 P 0.18459071144853 0.18931532936959 0.27129639833121 30.974 > 37 38 P 0.68459071144853 0.18931532936959 0.27129639833121 30.974 > 37 39 P 0.18459071144853 0.18931532936959 0.77129639833121 30.974 > 37 40 P 0.68459071144853 0.18931532936959 0.77129639833121 30.974 > 37 41 P 0.34141258553860 0.41328268129717 0.06671133454833 30.974 > 41 42 P 0.84141258553860 0.41328268129717 0.06671133454833 30.974 > 41 43 P 0.34141258553860 0.41328268129717 0.56671133454833 30.974 > 41 44 P 0.84141258553860 0.41328268129717 0.56671133454833 30.974 > 41 45 P 0.15858741446140 0.91328268129717 0.18328866545167 30.974 > 45 46 P 0.65858741446140 0.91328268129717 0.18328866545167 30.974 > 45 47 P 0.15858741446140 0.91328268129717 0.68328866545167 30.974 > 45 48 P 0.65858741446140 0.91328268129717 0.68328866545167 30.974 > 45 49 P 0.15858741446140 0.58671731870283 0.43328866545167 30.974 > 49 50 P 0.65858741446140 0.58671731870283 0.43328866545167 30.974 > 49 51 P 0.15858741446140 0.58671731870283 0.93328866545167 30.974 > 49 52 P 0.65858741446140 0.58671731870283 0.93328866545167 30.974 > 49 53 P 0.34141258553860 0.08671731870283 0.31671133454833 30.974 > 53 54 P 0.84141258553860 0.08671731870283 0.31671133454833 30.974 > 53 55 P 0.34141258553860 0.08671731870283 0.81671133454833 30.974 > 53 56 P 0.84141258553860 0.08671731870283 0.81671133454833 30.974 > 53 57 P 0.18120998806177 0.28104395647171 0.11234866121598 30.974 > 57 58 P 0.68120998806177 0.28104395647171 0.11234866121598 30.974 > 57 59 P 0.18120998806177 0.28104395647171 0.61234866121598 30.974 > 57 60 P 0.68120998806177 0.28104395647171 0.61234866121598 30.974 > 57 61 P 0.31879001193823 0.78104395647171 0.13765133878402 30.974 > 61 62 P 0.81879001193823 0.78104395647171 0.13765133878402 30.974 > 61 63 P 0.31879001193823 0.78104395647171 0.63765133878402 30.974 > 61 64 P 0.81879001193823 0.78104395647171 0.63765133878402 30.974 > 61 65 P 0.31879001193823 0.71895604352829 0.38765133878402 30.974 > 65 66 P 0.81879001193823 0.71895604352829 0.38765133878402 30.974 > 65 67 P 0.31879001193823 0.71895604352829 0.88765133878402 30.974 > 65 68 P 0.81879001193823 0.71895604352829 0.88765133878402 30.974 > 65 69 P 0.18120998806177 0.21895604352828 0.36234866121598 30.974 > 69 70 P 0.68120998806177 0.21895604352828 0.36234866121598 30.974 > 69 71 P 0.18120998806177 0.21895604352828 0.86234866121598 30.974 > 69 72 P 0.68120998806177 0.21895604352828 0.86234866121598 30.974 > 69 73 P 0.19749915992390 0.43339895240578 0.15834910558303 30.974 > 73 74 P 0.69749915992390 0.43339895240578 0.15834910558303 30.974 > 73 75 P 0.19749915992390 0.43339895240578 0.65834910558303 30.974 > 73 76 P 0.69749915992390 0.43339895240578 0.65834910558303 30.974 > 73 77 P 0.30250084007610 0.93339895240578 0.09165089441697 30.974 > 77 78 P 0.80250084007610 0.93339895240578 0.09165089441697 30.974 > 77 79 P 0.30250084007610 0.93339895240578 0.59165089441697 30.974 > 77 80 P 0.80250084007610 0.93339895240578 0.59165089441697 30.974 > 77 81 P 0.30250084007610 0.56660104759422 0.34165089441697 30.974 > 81 82 P 0.80250084007610 0.56660104759422 0.34165089441697 30.974 > 81 83 P 0.30250084007610 0.56660104759422 0.84165089441697 30.974 > 81 84 P 0.80250084007610 0.56660104759422 0.84165089441697 30.974 > 81 85 P 0.19749915992390 0.06660104759422 0.40834910558303 30.974 > 85 86 P 0.69749915992390 0.06660104759422 0.40834910558303 30.974 > 85 87 P 0.19749915992390 0.06660104759422 0.90834910558303 30.974 > 85 88 P 0.69749915992390 0.06660104759422 0.90834910558303 30.974 > 85 89 P 0.36852782495617 0.22274320448762 0.17984106149332 30.974 > 89 90 P 0.86852782495617 0.22274320448762 0.17984106149332 30.974 > 89 91 P 0.36852782495617 0.22274320448762 0.67984106149332 30.974 > 89 92 P 0.86852782495617 0.22274320448762 0.67984106149332 30.974 > 89 93 P 0.13147217504383 0.72274320448761 0.07015893850668 30.974 > 93 94 P 0.63147217504383 0.72274320448761 0.07015893850668 30.974 > 93 95 P 0.13147217504383 0.72274320448761 0.57015893850668 30.974 > 93 96 P 0.63147217504383 0.72274320448761 0.57015893850668 30.974 > 93 97 P 0.13147217504383 0.77725679551239 0.32015893850668 30.974 > 97 98 P 0.63147217504383 0.77725679551239 0.32015893850668 30.974 > 97 99 P 0.13147217504383 0.77725679551239 0.82015893850668 30.974 > 97 100 P 0.63147217504383 0.77725679551239 0.82015893850668 30.974 > 97 101 P 0.36852782495617 0.27725679551239 0.42984106149332 30.974 > 101 102 P 0.86852782495617 0.27725679551239 0.42984106149332 30.974 > 101 103 P 0.36852782495617 0.27725679551239 0.92984106149332 30.974 > 101 104 P 0.86852782495617 0.27725679551239 0.92984106149332 30.974 > 101 105 P 0.14897138817096 0.99068175346373 0.09542638026347 30.974 > 105 106 P 0.64897138817096 0.99068175346373 0.09542638026347 30.974 > 105 107 P 0.14897138817096 0.99068175346373 0.59542638026347 30.974 > 105 108 P 0.64897138817096 0.99068175346373 0.59542638026347 30.974 > 105 109 P 0.35102861182904 0.49068175346373 0.15457361973653 30.974 > 109 110 P 0.85102861182904 0.49068175346373 0.15457361973653 30.974 > 109 111 P 0.35102861182904 0.49068175346373 0.65457361973653 30.974 > 109 112 P 0.85102861182904 0.49068175346373 0.65457361973653 30.974 > 109 113 Ba 0.41549366336603 0.35024826691873 0.31089713420648 137.327 > 113 114 Ba 0.91549366336603 0.35024826691873 0.31089713420648 137.327 > 113 115 Ba 0.41549366336603 0.35024826691873 0.81089713420648 137.327 > 113 116 Ba 0.91549366336603 0.35024826691873 0.81089713420648 137.327 > 113 117 Ba 0.08450633663397 0.85024826691873 0.43910286579352 137.327 > 117 118 Ba 0.58450633663397 0.85024826691873 0.43910286579352 137.327 > 117 119 Ba 0.08450633663397 0.85024826691873 0.93910286579352 137.327 > 117 120 Ba 0.58450633663397 0.85024826691873 0.93910286579352 137.327 > 117 121 Ba 0.08450633663397 0.64975173308127 0.18910286579352 137.327 > 121 122 Ba 0.58450633663397 0.64975173308127 0.18910286579352 137.327 > 121 123 Ba 0.08450633663397 0.64975173308127 0.68910286579352 137.327 > 121 124 Ba 0.58450633663397 0.64975173308127 0.68910286579352 137.327 > 121 125 Ba 0.41549366336603 0.14975173308127 0.06089713420648 137.327 > 125 126 Ba 0.91549366336603 0.14975173308127 0.06089713420648 137.327 > 125 127 Ba 0.41549366336603 0.14975173308127 0.56089713420648 137.327 > 125 128 Ba 0.91549366336603 0.14975173308127 0.56089713420648 137.327 > 125 129 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 129 130 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 129 131 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 129 132 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 129 133 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 133 134 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 133 135 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 133 136 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1354441 0.0000000 0.5295373 0.0000000 8.2479480 0.0000000 0.5295529 0.0000000 9.3310374 -------------------------- Born effective charges -------------------------- 1 P -0.0586525 -0.2319362 -0.2108569 -0.1209192 -0.1079017 0.1096952 -0.1369000 -0.0855730 -0.5453027 2 P -0.0586525 0.2319362 -0.2108569 0.1209192 -0.1079017 -0.1096952 -0.1369000 0.0855730 -0.5453027 3 P -0.0586525 -0.2319362 -0.2108569 -0.1209192 -0.1079017 0.1096952 -0.1369000 -0.0855730 -0.5453027 4 P -0.0586525 0.2319362 -0.2108569 0.1209192 -0.1079017 -0.1096952 -0.1369000 0.0855730 -0.5453027 5 P -0.3099807 0.1320664 -0.0979970 -0.1169269 -0.6612637 -0.1547154 -0.0209898 -0.2893834 -0.2403994 6 P -0.3099807 -0.1320664 -0.0979970 0.1169269 -0.6612637 0.1547154 -0.0209898 0.2893834 -0.2403994 7 P -1.3755483 0.2162832 0.0076558 0.4510962 -1.0058096 0.3221836 -0.1166620 0.2150520 -0.9086387 8 P -1.3755483 -0.2162832 0.0076558 -0.4510962 -1.0058096 -0.3221836 -0.1166620 -0.2150520 -0.9086387 9 P -1.3755483 0.2162832 0.0076558 0.4510962 -1.0058096 0.3221836 -0.1166620 0.2150520 -0.9086387 10 P -1.3755483 -0.2162832 0.0076558 -0.4510962 -1.0058096 -0.3221836 -0.1166620 -0.2150520 -0.9086387 11 P -0.4258942 -0.0358515 0.3767194 -0.2250480 -0.0981029 -0.0385314 0.4801694 0.1837943 -0.7059360 12 P -0.4258942 0.0358515 0.3767194 0.2250480 -0.0981029 0.0385314 0.4801694 -0.1837943 -0.7059360 13 P -0.4258942 -0.0358515 0.3767194 -0.2250480 -0.0981029 -0.0385314 0.4801694 0.1837943 -0.7059360 14 P -0.4258942 0.0358515 0.3767194 0.2250480 -0.0981029 0.0385314 0.4801694 -0.1837943 -0.7059360 15 P -0.3965957 -0.5238213 -0.4395742 -0.2922060 0.2108451 0.0950896 -0.2840899 0.1246411 0.6566365 16 P -0.3965957 0.5238213 -0.4395742 0.2922060 0.2108451 -0.0950896 -0.2840899 -0.1246411 0.6566365 17 P -0.3965957 -0.5238213 -0.4395742 -0.2922060 0.2108451 0.0950896 -0.2840899 0.1246411 0.6566365 18 P -0.3965957 0.5238213 -0.4395742 0.2922060 0.2108451 -0.0950896 -0.2840899 -0.1246411 0.6566365 19 P -0.6705881 0.4657520 -0.0714021 0.3897757 -1.3547601 -0.0963825 -0.2109074 0.0132477 -1.5120545 20 P -0.6705881 -0.4657520 -0.0714021 -0.3897757 -1.3547601 0.0963825 -0.2109074 -0.0132477 -1.5120545 21 P -0.6705881 0.4657520 -0.0714021 0.3897757 -1.3547601 -0.0963825 -0.2109074 0.0132477 -1.5120545 22 P -0.6705881 -0.4657520 -0.0714021 -0.3897757 -1.3547601 0.0963825 -0.2109074 -0.0132477 -1.5120545 23 P -1.0868567 -0.0412043 0.4136999 0.0402718 -1.4530325 0.0734559 0.4201063 -0.0447541 -1.2991491 24 P -1.0868567 0.0412043 0.4136999 -0.0402718 -1.4530325 -0.0734559 0.4201063 0.0447541 -1.2991491 25 P -1.0868567 -0.0412043 0.4136999 0.0402718 -1.4530325 0.0734559 0.4201063 -0.0447541 -1.2991491 26 P -1.0868567 0.0412043 0.4136999 -0.0402718 -1.4530325 -0.0734559 0.4201063 0.0447541 -1.2991491 27 P -0.3099807 -0.1320664 -0.0979970 0.1169269 -0.6612637 0.1547154 -0.0209898 0.2893834 -0.2403994 28 P -0.3099807 0.1320664 -0.0979970 -0.1169269 -0.6612637 -0.1547154 -0.0209898 -0.2893834 -0.2403994 29 Ba 2.7630938 0.4516222 -0.3037138 0.3557791 2.6950874 -0.0220202 -0.4162062 -0.1316188 3.0634684 30 Ba 2.7630938 -0.4516222 -0.3037138 -0.3557791 2.6950874 0.0220202 -0.4162062 0.1316188 3.0634684 31 Ba 2.7630938 0.4516222 -0.3037138 0.3557791 2.6950874 -0.0220202 -0.4162062 -0.1316188 3.0634684 32 Ba 2.7630938 -0.4516222 -0.3037138 -0.3557791 2.6950874 0.0220202 -0.4162062 0.1316188 3.0634684 33 Ba 3.1220451 -0.2571351 0.6509379 -0.0547526 3.5498763 -0.5891148 0.5709591 -0.3338227 2.9827507 34 Ba 3.1220451 0.2571351 0.6509379 0.0547526 3.5498763 0.5891148 0.5709591 0.3338227 2.9827507 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 17, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 113, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 129, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (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 2026-01-07 18:47:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:47:22]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454720070007808 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -6.357737015667130 0.000000000000000 9.878588680864324 Atomic positions (fractional): 1 P 0.94372544999757 0.14946342085363 0.84917876879088 30.974 2 P 0.05627455000243 0.64946342085363 0.65082123120912 30.974 3 P 0.05627455000243 0.85053657914637 0.15082123120912 30.974 4 P 0.94372544999757 0.35053657914637 0.34917876879088 30.974 5 P 0.29794277634192 0.50931824653627 0.69085276052694 30.974 6 P 0.70205722365808 0.00931824653627 0.80914723947306 30.974 7 P 0.36918142289707 0.31068467063041 0.04259279666242 30.974 8 P 0.63081857710293 0.81068467063041 0.45740720333758 30.974 9 P 0.63081857710293 0.68931532936959 0.95740720333758 30.974 10 P 0.36918142289707 0.18931532936959 0.54259279666242 30.974 11 P 0.68282517107721 0.41328268129717 0.13342266909667 30.974 12 P 0.31717482892279 0.91328268129717 0.36657733090333 30.974 13 P 0.31717482892279 0.58671731870283 0.86657733090333 30.974 14 P 0.68282517107721 0.08671731870283 0.63342266909667 30.974 15 P 0.36241997612353 0.28104395647171 0.22469732243195 30.974 16 P 0.63758002387647 0.78104395647171 0.27530267756805 30.974 17 P 0.63758002387647 0.71895604352829 0.77530267756805 30.974 18 P 0.36241997612353 0.21895604352828 0.72469732243195 30.974 19 P 0.39499831984780 0.43339895240578 0.31669821116605 30.974 20 P 0.60500168015220 0.93339895240578 0.18330178883395 30.974 21 P 0.60500168015220 0.56660104759422 0.68330178883395 30.974 22 P 0.39499831984780 0.06660104759422 0.81669821116605 30.974 23 P 0.73705564991234 0.22274320448762 0.35968212298664 30.974 24 P 0.26294435008766 0.72274320448761 0.14031787701336 30.974 25 P 0.26294435008766 0.77725679551239 0.64031787701336 30.974 26 P 0.73705564991234 0.27725679551239 0.85968212298664 30.974 27 P 0.29794277634192 0.99068175346373 0.19085276052694 30.974 28 P 0.70205722365808 0.49068175346373 0.30914723947306 30.974 29 Ba 0.83098732673205 0.35024826691873 0.62179426841296 137.327 30 Ba 0.16901267326795 0.85024826691873 0.87820573158704 137.327 31 Ba 0.16901267326795 0.64975173308127 0.37820573158704 137.327 32 Ba 0.83098732673205 0.14975173308127 0.12179426841296 137.327 33 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 34 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.909440140015615 0.000000000000000 0.000000000000000 b 0.000000000000000 12.928858609999997 0.000000000000000 c -12.715474031334260 0.000000000000000 19.757177361728647 Atomic positions (fractional): 1 P 0.47186272499879 0.14946342085363 0.42458938439544 30.974 > 1 2 P 0.97186272499879 0.14946342085363 0.42458938439544 30.974 > 1 3 P 0.47186272499879 0.14946342085363 0.92458938439544 30.974 > 1 4 P 0.97186272499879 0.14946342085363 0.92458938439544 30.974 > 1 5 P 0.02813727500122 0.64946342085363 0.32541061560456 30.974 > 5 6 P 0.52813727500121 0.64946342085363 0.32541061560456 30.974 > 5 7 P 0.02813727500122 0.64946342085363 0.82541061560456 30.974 > 5 8 P 0.52813727500121 0.64946342085363 0.82541061560456 30.974 > 5 9 P 0.02813727500122 0.85053657914637 0.07541061560456 30.974 > 9 10 P 0.52813727500121 0.85053657914637 0.07541061560456 30.974 > 9 11 P 0.02813727500122 0.85053657914637 0.57541061560456 30.974 > 9 12 P 0.52813727500121 0.85053657914637 0.57541061560456 30.974 > 9 13 P 0.47186272499879 0.35053657914637 0.17458938439544 30.974 > 13 14 P 0.97186272499879 0.35053657914637 0.17458938439544 30.974 > 13 15 P 0.47186272499879 0.35053657914637 0.67458938439544 30.974 > 13 16 P 0.97186272499879 0.35053657914637 0.67458938439544 30.974 > 13 17 P 0.14897138817096 0.50931824653627 0.34542638026347 30.974 > 17 18 P 0.64897138817096 0.50931824653627 0.34542638026347 30.974 > 17 19 P 0.14897138817096 0.50931824653627 0.84542638026347 30.974 > 17 20 P 0.64897138817096 0.50931824653627 0.84542638026347 30.974 > 17 21 P 0.35102861182904 0.00931824653627 0.40457361973653 30.974 > 21 22 P 0.85102861182904 0.00931824653627 0.40457361973653 30.974 > 21 23 P 0.35102861182904 0.00931824653627 0.90457361973653 30.974 > 21 24 P 0.85102861182904 0.00931824653627 0.90457361973653 30.974 > 21 25 P 0.18459071144853 0.31068467063041 0.02129639833121 30.974 > 25 26 P 0.68459071144853 0.31068467063041 0.02129639833121 30.974 > 25 27 P 0.18459071144853 0.31068467063041 0.52129639833121 30.974 > 25 28 P 0.68459071144853 0.31068467063041 0.52129639833121 30.974 > 25 29 P 0.31540928855147 0.81068467063041 0.22870360166879 30.974 > 29 30 P 0.81540928855147 0.81068467063041 0.22870360166879 30.974 > 29 31 P 0.31540928855147 0.81068467063041 0.72870360166879 30.974 > 29 32 P 0.81540928855147 0.81068467063041 0.72870360166879 30.974 > 29 33 P 0.31540928855147 0.68931532936959 0.47870360166879 30.974 > 33 34 P 0.81540928855147 0.68931532936959 0.47870360166879 30.974 > 33 35 P 0.31540928855147 0.68931532936959 0.97870360166879 30.974 > 33 36 P 0.81540928855147 0.68931532936959 0.97870360166879 30.974 > 33 37 P 0.18459071144853 0.18931532936959 0.27129639833121 30.974 > 37 38 P 0.68459071144853 0.18931532936959 0.27129639833121 30.974 > 37 39 P 0.18459071144853 0.18931532936959 0.77129639833121 30.974 > 37 40 P 0.68459071144853 0.18931532936959 0.77129639833121 30.974 > 37 41 P 0.34141258553860 0.41328268129717 0.06671133454833 30.974 > 41 42 P 0.84141258553860 0.41328268129717 0.06671133454833 30.974 > 41 43 P 0.34141258553860 0.41328268129717 0.56671133454833 30.974 > 41 44 P 0.84141258553860 0.41328268129717 0.56671133454833 30.974 > 41 45 P 0.15858741446140 0.91328268129717 0.18328866545167 30.974 > 45 46 P 0.65858741446140 0.91328268129717 0.18328866545167 30.974 > 45 47 P 0.15858741446140 0.91328268129717 0.68328866545167 30.974 > 45 48 P 0.65858741446140 0.91328268129717 0.68328866545167 30.974 > 45 49 P 0.15858741446140 0.58671731870283 0.43328866545167 30.974 > 49 50 P 0.65858741446140 0.58671731870283 0.43328866545167 30.974 > 49 51 P 0.15858741446140 0.58671731870283 0.93328866545167 30.974 > 49 52 P 0.65858741446140 0.58671731870283 0.93328866545167 30.974 > 49 53 P 0.34141258553860 0.08671731870283 0.31671133454833 30.974 > 53 54 P 0.84141258553860 0.08671731870283 0.31671133454833 30.974 > 53 55 P 0.34141258553860 0.08671731870283 0.81671133454833 30.974 > 53 56 P 0.84141258553860 0.08671731870283 0.81671133454833 30.974 > 53 57 P 0.18120998806177 0.28104395647171 0.11234866121598 30.974 > 57 58 P 0.68120998806177 0.28104395647171 0.11234866121598 30.974 > 57 59 P 0.18120998806177 0.28104395647171 0.61234866121598 30.974 > 57 60 P 0.68120998806177 0.28104395647171 0.61234866121598 30.974 > 57 61 P 0.31879001193823 0.78104395647171 0.13765133878402 30.974 > 61 62 P 0.81879001193823 0.78104395647171 0.13765133878402 30.974 > 61 63 P 0.31879001193823 0.78104395647171 0.63765133878402 30.974 > 61 64 P 0.81879001193823 0.78104395647171 0.63765133878402 30.974 > 61 65 P 0.31879001193823 0.71895604352829 0.38765133878402 30.974 > 65 66 P 0.81879001193823 0.71895604352829 0.38765133878402 30.974 > 65 67 P 0.31879001193823 0.71895604352829 0.88765133878402 30.974 > 65 68 P 0.81879001193823 0.71895604352829 0.88765133878402 30.974 > 65 69 P 0.18120998806177 0.21895604352828 0.36234866121598 30.974 > 69 70 P 0.68120998806177 0.21895604352828 0.36234866121598 30.974 > 69 71 P 0.18120998806177 0.21895604352828 0.86234866121598 30.974 > 69 72 P 0.68120998806177 0.21895604352828 0.86234866121598 30.974 > 69 73 P 0.19749915992390 0.43339895240578 0.15834910558303 30.974 > 73 74 P 0.69749915992390 0.43339895240578 0.15834910558303 30.974 > 73 75 P 0.19749915992390 0.43339895240578 0.65834910558303 30.974 > 73 76 P 0.69749915992390 0.43339895240578 0.65834910558303 30.974 > 73 77 P 0.30250084007610 0.93339895240578 0.09165089441697 30.974 > 77 78 P 0.80250084007610 0.93339895240578 0.09165089441697 30.974 > 77 79 P 0.30250084007610 0.93339895240578 0.59165089441697 30.974 > 77 80 P 0.80250084007610 0.93339895240578 0.59165089441697 30.974 > 77 81 P 0.30250084007610 0.56660104759422 0.34165089441697 30.974 > 81 82 P 0.80250084007610 0.56660104759422 0.34165089441697 30.974 > 81 83 P 0.30250084007610 0.56660104759422 0.84165089441697 30.974 > 81 84 P 0.80250084007610 0.56660104759422 0.84165089441697 30.974 > 81 85 P 0.19749915992390 0.06660104759422 0.40834910558303 30.974 > 85 86 P 0.69749915992390 0.06660104759422 0.40834910558303 30.974 > 85 87 P 0.19749915992390 0.06660104759422 0.90834910558303 30.974 > 85 88 P 0.69749915992390 0.06660104759422 0.90834910558303 30.974 > 85 89 P 0.36852782495617 0.22274320448762 0.17984106149332 30.974 > 89 90 P 0.86852782495617 0.22274320448762 0.17984106149332 30.974 > 89 91 P 0.36852782495617 0.22274320448762 0.67984106149332 30.974 > 89 92 P 0.86852782495617 0.22274320448762 0.67984106149332 30.974 > 89 93 P 0.13147217504383 0.72274320448761 0.07015893850668 30.974 > 93 94 P 0.63147217504383 0.72274320448761 0.07015893850668 30.974 > 93 95 P 0.13147217504383 0.72274320448761 0.57015893850668 30.974 > 93 96 P 0.63147217504383 0.72274320448761 0.57015893850668 30.974 > 93 97 P 0.13147217504383 0.77725679551239 0.32015893850668 30.974 > 97 98 P 0.63147217504383 0.77725679551239 0.32015893850668 30.974 > 97 99 P 0.13147217504383 0.77725679551239 0.82015893850668 30.974 > 97 100 P 0.63147217504383 0.77725679551239 0.82015893850668 30.974 > 97 101 P 0.36852782495617 0.27725679551239 0.42984106149332 30.974 > 101 102 P 0.86852782495617 0.27725679551239 0.42984106149332 30.974 > 101 103 P 0.36852782495617 0.27725679551239 0.92984106149332 30.974 > 101 104 P 0.86852782495617 0.27725679551239 0.92984106149332 30.974 > 101 105 P 0.14897138817096 0.99068175346373 0.09542638026347 30.974 > 105 106 P 0.64897138817096 0.99068175346373 0.09542638026347 30.974 > 105 107 P 0.14897138817096 0.99068175346373 0.59542638026347 30.974 > 105 108 P 0.64897138817096 0.99068175346373 0.59542638026347 30.974 > 105 109 P 0.35102861182904 0.49068175346373 0.15457361973653 30.974 > 109 110 P 0.85102861182904 0.49068175346373 0.15457361973653 30.974 > 109 111 P 0.35102861182904 0.49068175346373 0.65457361973653 30.974 > 109 112 P 0.85102861182904 0.49068175346373 0.65457361973653 30.974 > 109 113 Ba 0.41549366336603 0.35024826691873 0.31089713420648 137.327 > 113 114 Ba 0.91549366336603 0.35024826691873 0.31089713420648 137.327 > 113 115 Ba 0.41549366336603 0.35024826691873 0.81089713420648 137.327 > 113 116 Ba 0.91549366336603 0.35024826691873 0.81089713420648 137.327 > 113 117 Ba 0.08450633663397 0.85024826691873 0.43910286579352 137.327 > 117 118 Ba 0.58450633663397 0.85024826691873 0.43910286579352 137.327 > 117 119 Ba 0.08450633663397 0.85024826691873 0.93910286579352 137.327 > 117 120 Ba 0.58450633663397 0.85024826691873 0.93910286579352 137.327 > 117 121 Ba 0.08450633663397 0.64975173308127 0.18910286579352 137.327 > 121 122 Ba 0.58450633663397 0.64975173308127 0.18910286579352 137.327 > 121 123 Ba 0.08450633663397 0.64975173308127 0.68910286579352 137.327 > 121 124 Ba 0.58450633663397 0.64975173308127 0.68910286579352 137.327 > 121 125 Ba 0.41549366336603 0.14975173308127 0.06089713420648 137.327 > 125 126 Ba 0.91549366336603 0.14975173308127 0.06089713420648 137.327 > 125 127 Ba 0.41549366336603 0.14975173308127 0.56089713420648 137.327 > 125 128 Ba 0.91549366336603 0.14975173308127 0.56089713420648 137.327 > 125 129 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 129 130 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 129 131 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 129 132 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 129 133 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 133 134 Ba 0.50000000000000 0.00000000000000 0.25000000000000 137.327 > 133 135 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 133 136 Ba 0.50000000000000 0.00000000000000 0.75000000000000 137.327 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.1354441 0.0000000 0.5295373 0.0000000 8.2479480 0.0000000 0.5295529 0.0000000 9.3310374 -------------------------- Born effective charges -------------------------- 1 P -0.0586525 -0.2319362 -0.2108569 -0.1209192 -0.1079017 0.1096952 -0.1369000 -0.0855730 -0.5453027 2 P -0.0586525 0.2319362 -0.2108569 0.1209192 -0.1079017 -0.1096952 -0.1369000 0.0855730 -0.5453027 3 P -0.0586525 -0.2319362 -0.2108569 -0.1209192 -0.1079017 0.1096952 -0.1369000 -0.0855730 -0.5453027 4 P -0.0586525 0.2319362 -0.2108569 0.1209192 -0.1079017 -0.1096952 -0.1369000 0.0855730 -0.5453027 5 P -0.3099807 0.1320664 -0.0979970 -0.1169269 -0.6612637 -0.1547154 -0.0209898 -0.2893834 -0.2403994 6 P -0.3099807 -0.1320664 -0.0979970 0.1169269 -0.6612637 0.1547154 -0.0209898 0.2893834 -0.2403994 7 P -1.3755483 0.2162832 0.0076558 0.4510962 -1.0058096 0.3221836 -0.1166620 0.2150520 -0.9086387 8 P -1.3755483 -0.2162832 0.0076558 -0.4510962 -1.0058096 -0.3221836 -0.1166620 -0.2150520 -0.9086387 9 P -1.3755483 0.2162832 0.0076558 0.4510962 -1.0058096 0.3221836 -0.1166620 0.2150520 -0.9086387 10 P -1.3755483 -0.2162832 0.0076558 -0.4510962 -1.0058096 -0.3221836 -0.1166620 -0.2150520 -0.9086387 11 P -0.4258942 -0.0358515 0.3767194 -0.2250480 -0.0981029 -0.0385314 0.4801694 0.1837943 -0.7059360 12 P -0.4258942 0.0358515 0.3767194 0.2250480 -0.0981029 0.0385314 0.4801694 -0.1837943 -0.7059360 13 P -0.4258942 -0.0358515 0.3767194 -0.2250480 -0.0981029 -0.0385314 0.4801694 0.1837943 -0.7059360 14 P -0.4258942 0.0358515 0.3767194 0.2250480 -0.0981029 0.0385314 0.4801694 -0.1837943 -0.7059360 15 P -0.3965957 -0.5238213 -0.4395742 -0.2922060 0.2108451 0.0950896 -0.2840899 0.1246411 0.6566365 16 P -0.3965957 0.5238213 -0.4395742 0.2922060 0.2108451 -0.0950896 -0.2840899 -0.1246411 0.6566365 17 P -0.3965957 -0.5238213 -0.4395742 -0.2922060 0.2108451 0.0950896 -0.2840899 0.1246411 0.6566365 18 P -0.3965957 0.5238213 -0.4395742 0.2922060 0.2108451 -0.0950896 -0.2840899 -0.1246411 0.6566365 19 P -0.6705881 0.4657520 -0.0714021 0.3897757 -1.3547601 -0.0963825 -0.2109074 0.0132477 -1.5120545 20 P -0.6705881 -0.4657520 -0.0714021 -0.3897757 -1.3547601 0.0963825 -0.2109074 -0.0132477 -1.5120545 21 P -0.6705881 0.4657520 -0.0714021 0.3897757 -1.3547601 -0.0963825 -0.2109074 0.0132477 -1.5120545 22 P -0.6705881 -0.4657520 -0.0714021 -0.3897757 -1.3547601 0.0963825 -0.2109074 -0.0132477 -1.5120545 23 P -1.0868567 -0.0412043 0.4136999 0.0402718 -1.4530325 0.0734559 0.4201063 -0.0447541 -1.2991491 24 P -1.0868567 0.0412043 0.4136999 -0.0402718 -1.4530325 -0.0734559 0.4201063 0.0447541 -1.2991491 25 P -1.0868567 -0.0412043 0.4136999 0.0402718 -1.4530325 0.0734559 0.4201063 -0.0447541 -1.2991491 26 P -1.0868567 0.0412043 0.4136999 -0.0402718 -1.4530325 -0.0734559 0.4201063 0.0447541 -1.2991491 27 P -0.3099807 -0.1320664 -0.0979970 0.1169269 -0.6612637 0.1547154 -0.0209898 0.2893834 -0.2403994 28 P -0.3099807 0.1320664 -0.0979970 -0.1169269 -0.6612637 -0.1547154 -0.0209898 -0.2893834 -0.2403994 29 Ba 2.7630938 0.4516222 -0.3037138 0.3557791 2.6950874 -0.0220202 -0.4162062 -0.1316188 3.0634684 30 Ba 2.7630938 -0.4516222 -0.3037138 -0.3557791 2.6950874 0.0220202 -0.4162062 0.1316188 3.0634684 31 Ba 2.7630938 0.4516222 -0.3037138 0.3557791 2.6950874 -0.0220202 -0.4162062 -0.1316188 3.0634684 32 Ba 2.7630938 -0.4516222 -0.3037138 -0.3557791 2.6950874 0.0220202 -0.4162062 0.1316188 3.0634684 33 Ba 3.1220451 -0.2571351 0.6509379 -0.0547526 3.5498763 -0.5891148 0.5709591 -0.3338227 2.9827507 34 Ba 3.1220451 0.2571351 0.6509379 0.0547526 3.5498763 0.5891148 0.5709591 0.3338227 2.9827507 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (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 ... [ 9 4 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: 0.44, Number of G-points: 311, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.027 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 0.000) 0.000 12.642 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.379 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 13.631 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 16.258 0.000 7.062) 17.725 0.532 ( 23.028 0.000 9.968) 25.093 0.718 ( 30.459 0.000 10.858) 32.337 1.202 ( 2.982 0.000 -0.698) 3.063 1.278 ( 6.214 0.000 -6.483) 8.980 1.311 ( 5.789 0.000 2.471) 6.294 1.403 ( -6.593 0.000 -1.390) 6.738 1.578 ( -4.566 0.000 0.708) 4.621 1.605 ( 1.214 0.000 -5.903) 6.026 1.646 ( -7.714 0.000 -3.341) 8.407 1.781 ( 6.961 0.000 5.834) 9.082 1.801 ( 0.078 0.000 -0.492) 0.498 1.812 ( -5.231 0.000 2.391) 5.752 1.881 ( -0.905 0.000 -7.684) 7.737 1.952 ( 1.177 0.000 2.075) 2.386 2.031 ( -1.580 0.000 2.264) 2.761 2.060 ( -8.378 0.000 -4.422) 9.473 2.159 ( 0.195 0.000 0.272) 0.335 2.254 ( 2.441 0.000 2.249) 3.319 2.302 ( 6.670 0.000 2.108) 6.995 2.362 ( -0.116 0.000 8.182) 8.183 2.420 ( -0.829 0.000 1.635) 1.833 2.499 ( -0.094 0.000 -5.792) 5.792 2.548 ( -6.892 0.000 -0.097) 6.893 2.564 ( -3.924 0.000 -0.556) 3.963 2.616 ( 1.181 0.000 -2.652) 2.903 2.659 ( 6.383 0.000 -2.770) 6.958 2.718 ( 0.138 0.000 2.740) 2.744 2.748 ( 3.342 0.000 -7.370) 8.092 2.873 ( -0.977 0.000 5.213) 5.304 2.876 ( -5.228 0.000 8.755) 10.197 2.928 ( 4.458 0.000 1.231) 4.625 3.110 ( -1.858 0.000 7.289) 7.522 3.133 ( -0.545 0.000 -5.760) 5.785 3.340 ( -2.260 0.000 -2.699) 3.520 3.407 ( -1.360 0.000 -0.992) 1.683 3.497 ( -3.971 0.000 -1.085) 4.117 3.525 ( 2.300 0.000 -2.203) 3.185 4.155 ( -0.167 0.000 -0.856) 0.872 4.179 ( -0.359 0.000 0.117) 0.377 4.227 ( -0.456 0.000 0.395) 0.604 4.278 ( -0.741 0.000 -0.568) 0.934 6.598 ( -0.733 0.000 -0.448) 0.859 6.637 ( -0.403 0.000 -0.429) 0.588 6.638 ( -0.015 0.000 0.741) 0.741 6.659 ( 0.104 0.000 0.598) 0.607 7.008 ( 0.015 0.000 -0.221) 0.221 7.017 ( -0.272 0.000 2.068) 2.086 7.067 ( 0.439 0.000 0.458) 0.634 7.097 ( 0.698 0.000 -0.012) 0.698 7.104 ( -0.700 0.000 0.480) 0.849 7.175 ( -2.578 0.000 0.062) 2.579 7.193 ( -0.471 0.000 -0.702) 0.845 7.233 ( 0.075 0.000 0.674) 0.678 7.892 ( 0.071 0.000 0.537) 0.541 7.913 ( 1.065 0.000 0.992) 1.456 7.979 ( -0.107 0.000 0.181) 0.210 7.982 ( -0.782 0.000 -1.113) 1.360 8.188 ( -2.345 0.000 0.191) 2.353 8.193 ( -1.869 0.000 0.891) 2.071 8.199 ( -2.164 0.000 -0.331) 2.189 8.260 ( -2.024 0.000 -0.092) 2.026 8.704 ( -0.777 0.000 -0.594) 0.978 8.720 ( -0.060 0.000 0.106) 0.122 8.740 ( -0.198 0.000 0.546) 0.580 8.758 ( -0.117 0.000 0.423) 0.439 9.000 ( 0.907 0.000 -0.423) 1.001 9.036 ( 1.235 0.000 -0.041) 1.236 9.038 ( 1.126 0.000 0.062) 1.128 9.091 ( 0.718 0.000 0.152) 0.733 9.610 ( 0.178 0.000 0.175) 0.249 9.610 ( 0.334 0.000 0.343) 0.479 9.656 ( 0.562 0.000 -0.034) 0.563 9.669 ( 0.157 0.000 -0.899) 0.913 11.431 ( -0.416 0.000 0.286) 0.505 11.444 ( -0.257 0.000 -0.185) 0.317 11.451 ( -0.179 0.000 -0.416) 0.453 11.478 ( -0.141 0.000 0.399) 0.423 12.254 ( -0.066 0.000 0.077) 0.101 12.263 ( 0.753 0.000 -0.598) 0.962 12.285 ( 0.122 0.000 0.274) 0.299 12.297 ( 0.368 0.000 0.044) 0.371 12.496 ( 1.095 0.000 0.202) 1.113 12.498 ( 0.813 0.000 0.313) 0.872 12.506 ( 0.243 0.000 -0.200) 0.315 12.513 ( 0.544 0.000 -0.136) 0.561 12.637 ( 0.598 0.000 0.466) 0.758 12.651 ( 0.441 0.000 0.809) 0.921 12.716 ( -0.796 0.000 -0.480) 0.929 12.720 ( -0.410 0.000 -0.975) 1.058 13.040 ( 1.416 0.000 0.892) 1.674 13.070 ( 0.880 0.000 -0.626) 1.080 13.106 ( 0.665 0.000 -0.505) 0.835 13.108 ( 1.084 0.000 0.192) 1.101 13.335 ( 0.702 0.000 0.615) 0.933 13.370 ( 0.360 0.000 0.279) 0.456 13.385 ( 0.455 0.000 0.087) 0.463 13.413 ( -0.055 0.000 -0.528) 0.531 13.542 ( 0.002 0.000 0.876) 0.876 13.581 ( -0.744 0.000 -0.069) 0.747 13.586 ( -1.091 0.000 -0.227) 1.115 13.615 ( -1.362 0.000 -0.682) 1.523 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 12.793 0.000 7.801) 14.984 0.972 ( 14.211 0.000 7.525) 16.081 1.076 ( 4.559 0.000 -3.631) 5.828 1.245 ( -1.914 0.000 -5.196) 5.538 1.326 ( 8.161 0.000 2.888) 8.657 1.379 ( 10.724 0.000 -5.513) 12.058 1.475 ( -4.749 0.000 -1.840) 5.093 1.559 ( -1.929 0.000 -8.803) 9.011 1.564 ( 5.359 0.000 -1.443) 5.550 1.573 ( 14.008 0.000 8.616) 16.446 1.682 ( -1.820 0.000 -0.182) 1.829 1.775 ( 0.819 0.000 -4.941) 5.009 1.788 ( -9.723 0.000 -5.034) 10.949 1.887 ( -3.290 0.000 0.698) 3.363 1.977 ( 5.542 0.000 4.627) 7.219 2.024 ( -0.228 0.000 3.400) 3.408 2.031 ( 2.262 0.000 2.577) 3.429 2.125 ( 0.629 0.000 -3.187) 3.248 2.266 ( -2.844 0.000 0.071) 2.845 2.333 ( -5.556 0.000 1.945) 5.886 2.404 ( -5.787 0.000 -0.286) 5.795 2.418 ( 0.592 0.000 -9.501) 9.519 2.423 ( -5.819 0.000 3.146) 6.615 2.519 ( 0.767 0.000 5.329) 5.384 2.560 ( 11.668 0.000 2.135) 11.862 2.589 ( -0.543 0.000 -2.783) 2.836 2.648 ( -4.455 0.000 -1.350) 4.655 2.761 ( 4.239 0.000 -2.932) 5.155 2.824 ( 3.364 0.000 4.828) 5.885 2.879 ( -2.903 0.000 5.109) 5.876 2.919 ( -0.929 0.000 5.935) 6.007 2.994 ( 1.760 0.000 -0.896) 1.974 3.063 ( -2.097 0.000 -0.264) 2.114 3.139 ( -3.259 0.000 5.590) 6.470 3.283 ( -1.276 0.000 -1.017) 1.632 3.381 ( -5.656 0.000 -1.843) 5.948 3.387 ( -0.895 0.000 -0.862) 1.243 3.520 ( -1.207 0.000 -0.833) 1.467 4.138 ( -0.451 0.000 -1.237) 1.317 4.176 ( -0.125 0.000 0.293) 0.318 4.218 ( -0.875 0.000 0.036) 0.876 4.254 ( -1.238 0.000 -0.595) 1.373 6.581 ( -0.690 0.000 -0.226) 0.726 6.624 ( -0.793 0.000 -0.204) 0.819 6.646 ( -0.100 0.000 0.860) 0.865 6.661 ( -0.282 0.000 0.004) 0.282 7.011 ( 0.451 0.000 0.077) 0.457 7.041 ( 0.873 0.000 1.211) 1.493 7.084 ( -1.277 0.000 -0.158) 1.286 7.090 ( 0.770 0.000 0.976) 1.243 7.115 ( 0.761 0.000 0.468) 0.893 7.131 ( -1.687 0.000 -0.768) 1.853 7.174 ( -0.759 0.000 -0.643) 0.995 7.230 ( -0.536 0.000 -0.505) 0.736 7.893 ( -0.922 0.000 0.605) 1.102 7.938 ( -0.150 0.000 0.934) 0.946 7.945 ( -2.062 0.000 -0.920) 2.258 7.981 ( -0.108 0.000 0.348) 0.365 8.139 ( -3.151 0.000 0.314) 3.167 8.154 ( -2.129 0.000 -0.054) 2.130 8.165 ( -2.164 0.000 0.510) 2.223 8.218 ( -2.413 0.000 0.145) 2.417 8.683 ( -0.914 0.000 -0.479) 1.032 8.720 ( -0.094 0.000 0.127) 0.158 8.742 ( -0.452 0.000 0.767) 0.891 8.757 ( -0.409 0.000 0.215) 0.462 9.020 ( 1.790 0.000 -0.316) 1.818 9.063 ( 1.600 0.000 0.017) 1.600 9.064 ( 1.920 0.000 -0.004) 1.920 9.108 ( 0.992 0.000 0.128) 1.000 9.617 ( 0.292 0.000 0.412) 0.505 9.624 ( 0.563 0.000 0.738) 0.929 9.660 ( 0.277 0.000 -1.207) 1.238 9.669 ( 0.948 0.000 -0.014) 0.948 11.426 ( -0.583 0.000 0.461) 0.743 11.438 ( -0.310 0.000 0.100) 0.326 11.441 ( -0.322 0.000 -0.652) 0.727 11.478 ( -0.309 0.000 0.239) 0.391 12.254 ( -0.117 0.000 0.150) 0.190 12.273 ( 0.810 0.000 -0.138) 0.822 12.294 ( 0.369 0.000 0.494) 0.616 12.306 ( 0.483 0.000 0.157) 0.508 12.509 ( 0.369 0.000 -0.421) 0.560 12.518 ( 0.919 0.000 0.409) 1.006 12.521 ( 1.169 0.000 0.402) 1.237 12.524 ( 0.985 0.000 -0.304) 1.031 12.660 ( 1.077 0.000 1.010) 1.476 12.672 ( 0.663 0.000 1.283) 1.444 12.691 ( -0.948 0.000 -1.129) 1.474 12.698 ( -0.582 0.000 -1.287) 1.412 13.081 ( 1.072 0.000 -0.560) 1.210 13.085 ( 2.097 0.000 1.326) 2.481 13.113 ( 1.052 0.000 -0.935) 1.407 13.136 ( 1.739 0.000 0.281) 1.762 13.359 ( 1.062 0.000 0.773) 1.313 13.387 ( 1.061 0.000 0.642) 1.240 13.392 ( 0.482 0.000 -0.907) 1.027 13.406 ( 0.114 0.000 -0.396) 0.412 13.551 ( -0.469 0.000 1.135) 1.228 13.559 ( -1.648 0.000 -0.147) 1.654 13.561 ( -1.295 0.000 -0.110) 1.300 13.575 ( -1.948 0.000 -0.978) 2.179 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 8.750 0.000 5.801) 10.498 1.035 ( -2.263 0.000 -2.079) 3.073 1.096 ( -0.255 0.000 2.663) 2.675 1.240 ( 3.109 0.000 -9.906) 10.382 1.390 ( -4.121 0.000 -6.728) 7.890 1.393 ( -3.409 0.000 -1.913) 3.909 1.466 ( 3.761 0.000 4.368) 5.764 1.523 ( 6.304 0.000 -0.121) 6.305 1.624 ( 7.540 0.000 -1.621) 7.712 1.640 ( 2.986 0.000 -2.533) 3.916 1.702 ( -0.798 0.000 4.171) 4.247 1.752 ( 2.881 0.000 -4.721) 5.531 1.869 ( 6.503 0.000 -0.065) 6.503 1.877 ( 0.066 0.000 1.011) 1.014 1.962 ( -5.030 0.000 -1.300) 5.195 1.990 ( -1.496 0.000 -4.827) 5.053 2.171 ( -3.956 0.000 -0.920) 4.062 2.199 ( 4.190 0.000 3.126) 5.228 2.206 ( 6.324 0.000 5.793) 8.576 2.272 ( -1.794 0.000 -0.090) 1.797 2.313 ( -3.498 0.000 -0.834) 3.597 2.336 ( 0.485 0.000 -7.249) 7.265 2.391 ( 1.104 0.000 2.318) 2.568 2.491 ( -9.498 0.000 -0.179) 9.500 2.509 ( -3.721 0.000 -1.487) 4.007 2.655 ( 2.385 0.000 7.254) 7.636 2.735 ( 5.903 0.000 0.579) 5.931 2.817 ( 4.590 0.000 -0.358) 4.604 2.884 ( -1.870 0.000 5.391) 5.706 2.945 ( -3.224 0.000 1.098) 3.406 2.945 ( 3.311 0.000 4.901) 5.915 2.979 ( 0.229 0.000 -0.177) 0.290 3.066 ( 1.175 0.000 1.131) 1.630 3.120 ( -4.559 0.000 3.042) 5.481 3.227 ( -6.540 0.000 -3.322) 7.335 3.283 ( 1.307 0.000 0.435) 1.378 3.411 ( 2.022 0.000 0.315) 2.046 3.465 ( -3.454 0.000 -1.553) 3.787 4.117 ( -0.354 0.000 -0.976) 1.038 4.181 ( 0.340 0.000 0.155) 0.373 4.198 ( -0.963 0.000 -0.521) 1.095 4.225 ( -1.340 0.000 -0.377) 1.392 6.572 ( -0.263 0.000 0.034) 0.265 6.607 ( -0.874 0.000 0.002) 0.874 6.649 ( -0.664 0.000 -0.513) 0.839 6.654 ( -0.083 0.000 0.700) 0.705 7.022 ( 0.258 0.000 0.274) 0.377 7.054 ( -0.682 0.000 -1.001) 1.212 7.069 ( 0.963 0.000 0.706) 1.194 7.093 ( -1.413 0.000 -0.038) 1.414 7.117 ( -0.046 0.000 1.127) 1.128 7.142 ( 1.150 0.000 0.366) 1.207 7.158 ( -0.086 0.000 -0.120) 0.147 7.207 ( -0.831 0.000 -1.213) 1.470 7.868 ( -2.465 0.000 0.451) 2.505 7.894 ( -2.732 0.000 -0.357) 2.755 7.915 ( -2.538 0.000 -0.409) 2.571 7.981 ( -0.530 0.000 0.543) 0.758 8.100 ( -1.797 0.000 0.741) 1.944 8.134 ( -1.444 0.000 -0.372) 1.491 8.143 ( 0.149 0.000 0.811) 0.824 8.194 ( -0.798 0.000 0.710) 1.068 8.664 ( -0.704 0.000 -0.237) 0.743 8.719 ( -0.102 0.000 0.037) 0.108 8.742 ( -0.521 0.000 0.663) 0.843 8.750 ( -0.459 0.000 -0.043) 0.461 9.051 ( 1.983 0.000 -0.075) 1.985 9.088 ( 1.205 0.000 -0.053) 1.206 9.096 ( 1.576 0.000 0.089) 1.578 9.124 ( 0.790 0.000 -0.083) 0.794 9.628 ( 0.267 0.000 0.631) 0.685 9.643 ( 0.495 0.000 0.820) 0.958 9.653 ( 0.372 0.000 -1.092) 1.154 9.687 ( 0.955 0.000 0.044) 0.956 11.421 ( -0.525 0.000 0.235) 0.575 11.429 ( -0.275 0.000 -0.392) 0.479 11.436 ( -0.238 0.000 0.383) 0.451 11.473 ( -0.336 0.000 -0.086) 0.347 12.254 ( -0.112 0.000 0.161) 0.196 12.287 ( 0.813 0.000 0.100) 0.819 12.306 ( 0.367 0.000 0.472) 0.598 12.316 ( 0.326 0.000 0.229) 0.399 12.508 ( 0.241 0.000 -0.599) 0.646 12.534 ( 0.475 0.000 0.230) 0.528 12.539 ( 1.055 0.000 -0.215) 1.077 12.541 ( 0.734 0.000 0.151) 0.749 12.664 ( -0.695 0.000 -0.971) 1.195 12.675 ( -0.463 0.000 -1.043) 1.141 12.692 ( 1.105 0.000 1.055) 1.528 12.698 ( 0.605 0.000 1.254) 1.392 13.092 ( 0.784 0.000 -0.420) 0.889 13.121 ( 1.020 0.000 -0.943) 1.390 13.133 ( 1.729 0.000 1.066) 2.031 13.169 ( 1.538 0.000 0.243) 1.557 13.382 ( 0.024 0.000 -1.246) 1.246 13.387 ( 1.359 0.000 0.543) 1.464 13.405 ( 0.052 0.000 -0.538) 0.540 13.420 ( 1.638 0.000 0.915) 1.876 13.527 ( -1.671 0.000 -0.486) 1.740 13.531 ( -1.767 0.000 -0.119) 1.771 13.541 ( -1.014 0.000 0.036) 1.015 13.552 ( -0.969 0.000 0.672) 1.179 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.238 0.000 -1.975) 1.989 1.080 ( -2.579 0.000 -1.629) 3.051 1.134 ( 2.229 0.000 5.523) 5.955 1.195 ( 1.730 0.000 -2.817) 3.305 1.293 ( 0.376 0.000 -1.184) 1.242 1.327 ( -0.226 0.000 -3.030) 3.039 1.525 ( -2.139 0.000 2.185) 3.058 1.599 ( 3.768 0.000 -0.749) 3.842 1.695 ( -1.056 0.000 -0.289) 1.095 1.727 ( -0.636 0.000 3.195) 3.258 1.734 ( 0.357 0.000 2.429) 2.455 1.744 ( 5.858 0.000 -4.877) 7.623 1.879 ( -2.508 0.000 -2.245) 3.365 1.898 ( 3.893 0.000 -1.537) 4.186 1.904 ( 1.358 0.000 -0.981) 1.676 1.954 ( 2.539 0.000 0.889) 2.690 2.085 ( -7.502 0.000 -0.572) 7.524 2.162 ( -5.384 0.000 -2.536) 5.951 2.242 ( -0.760 0.000 1.038) 1.286 2.270 ( 2.248 0.000 -0.973) 2.450 2.302 ( 4.011 0.000 -4.559) 6.072 2.344 ( 3.259 0.000 0.199) 3.265 2.366 ( -4.017 0.000 2.429) 4.694 2.437 ( -3.811 0.000 1.355) 4.045 2.548 ( 4.120 0.000 3.033) 5.116 2.753 ( 1.189 0.000 5.884) 6.003 2.806 ( 2.814 0.000 -0.477) 2.854 2.854 ( -4.377 0.000 -2.894) 5.247 2.898 ( -1.576 0.000 2.813) 3.224 2.910 ( 3.951 0.000 1.269) 4.150 2.968 ( 1.180 0.000 -3.044) 3.264 3.042 ( 1.259 0.000 2.677) 2.958 3.055 ( -5.644 0.000 1.600) 5.866 3.123 ( 3.258 0.000 0.872) 3.372 3.127 ( -1.799 0.000 -0.607) 1.899 3.315 ( 1.625 0.000 0.383) 1.670 3.379 ( -3.841 0.000 -1.577) 4.152 3.442 ( 1.026 0.000 -0.024) 1.026 4.106 ( -0.062 0.000 -0.336) 0.341 4.180 ( -0.423 0.000 -0.347) 0.547 4.188 ( 0.521 0.000 -0.316) 0.609 4.204 ( -0.913 0.000 0.201) 0.935 6.571 ( -0.012 0.000 0.063) 0.064 6.596 ( -0.376 0.000 0.076) 0.383 6.634 ( -0.371 0.000 -0.354) 0.512 6.658 ( -0.022 0.000 0.286) 0.287 7.014 ( -0.603 0.000 -0.175) 0.628 7.053 ( 0.732 0.000 -0.316) 0.798 7.079 ( -0.349 0.000 0.044) 0.352 7.086 ( 0.299 0.000 0.350) 0.460 7.110 ( -0.800 0.000 0.166) 0.817 7.161 ( 0.412 0.000 0.547) 0.685 7.170 ( 0.465 0.000 0.408) 0.618 7.182 ( -0.387 0.000 -1.066) 1.134 7.835 ( -1.328 0.000 0.232) 1.348 7.854 ( -1.316 0.000 -0.095) 1.320 7.869 ( -1.438 0.000 -0.449) 1.506 7.976 ( -0.446 0.000 0.323) 0.551 8.094 ( -0.255 0.000 1.045) 1.076 8.109 ( -0.544 0.000 -0.967) 1.109 8.159 ( 0.397 0.000 0.465) 0.611 8.197 ( -0.007 0.000 0.442) 0.442 8.654 ( -0.276 0.000 -0.075) 0.286 8.718 ( -0.046 0.000 -0.009) 0.047 8.740 ( -0.228 0.000 0.273) 0.355 8.743 ( -0.200 0.000 -0.066) 0.210 9.080 ( 1.062 0.000 0.052) 1.064 9.100 ( 0.226 0.000 -0.086) 0.242 9.116 ( 0.586 0.000 0.140) 0.602 9.132 ( 0.284 0.000 -0.171) 0.332 9.638 ( 0.070 0.000 0.619) 0.623 9.648 ( 0.224 0.000 -0.740) 0.773 9.656 ( 0.187 0.000 0.357) 0.403 9.700 ( 0.414 0.000 0.037) 0.415 11.414 ( -0.212 0.000 -0.103) 0.236 11.424 ( -0.107 0.000 0.044) 0.115 11.437 ( -0.090 0.000 0.251) 0.267 11.467 ( -0.148 0.000 -0.138) 0.203 12.253 ( -0.045 0.000 0.071) 0.084 12.300 ( 0.398 0.000 0.075) 0.405 12.314 ( 0.107 0.000 0.195) 0.223 12.321 ( 0.098 0.000 0.111) 0.148 12.506 ( 0.073 0.000 -0.292) 0.301 12.540 ( 0.092 0.000 0.057) 0.108 12.549 ( 0.213 0.000 -0.016) 0.214 12.552 ( 0.464 0.000 -0.064) 0.468 12.649 ( -0.159 0.000 -0.240) 0.288 12.660 ( -0.234 0.000 -0.502) 0.554 12.715 ( 0.497 0.000 0.390) 0.632 12.717 ( 0.223 0.000 0.583) 0.624 13.097 ( 0.263 0.000 -0.174) 0.315 13.126 ( 0.436 0.000 -0.390) 0.585 13.162 ( 0.645 0.000 0.379) 0.748 13.190 ( 0.581 0.000 0.096) 0.588 13.371 ( -0.038 0.000 -0.540) 0.541 13.397 ( -0.141 0.000 -0.338) 0.367 13.416 ( 1.124 0.000 0.284) 1.160 13.454 ( 0.923 0.000 0.441) 1.023 13.502 ( -0.610 0.000 -0.230) 0.651 13.503 ( -0.944 0.000 0.017) 0.944 13.534 ( -0.230 0.000 0.216) 0.315 13.537 ( -0.981 0.000 0.031) 0.982 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 17.757 0.000) 17.757 0.508 ( 0.000 25.477 0.000) 25.477 0.670 ( 0.000 31.902 0.000) 31.902 0.958 ( 0.000 -13.754 0.000) 13.754 1.182 ( 0.000 0.676 0.000) 0.676 1.301 ( 0.000 -10.545 0.000) 10.545 1.504 ( 0.000 2.927 0.000) 2.927 1.557 ( 0.000 -5.298 0.000) 5.298 1.561 ( 0.000 -0.432 0.000) 0.432 1.661 ( 0.000 -7.376 0.000) 7.376 1.667 ( 0.000 -0.910 0.000) 0.910 1.858 ( 0.000 -0.797 0.000) 0.797 1.864 ( 0.000 2.656 0.000) 2.656 1.910 ( 0.000 5.592 0.000) 5.592 1.953 ( 0.000 -1.843 0.000) 1.843 2.043 ( 0.000 -4.605 0.000) 4.605 2.046 ( 0.000 -3.260 0.000) 3.260 2.130 ( 0.000 -5.559 0.000) 5.559 2.167 ( 0.000 8.424 0.000) 8.424 2.350 ( 0.000 8.039 0.000) 8.039 2.372 ( 0.000 1.515 0.000) 1.515 2.461 ( 0.000 3.950 0.000) 3.950 2.550 ( 0.000 -0.624 0.000) 0.624 2.555 ( 0.000 -1.886 0.000) 1.886 2.582 ( 0.000 -3.947 0.000) 3.947 2.594 ( 0.000 -1.191 0.000) 1.191 2.649 ( 0.000 -3.862 0.000) 3.862 2.680 ( 0.000 -8.224 0.000) 8.224 2.792 ( 0.000 3.543 0.000) 3.543 2.809 ( 0.000 3.070 0.000) 3.070 2.855 ( 0.000 -0.299 0.000) 0.299 2.865 ( 0.000 1.282 0.000) 1.282 3.004 ( 0.000 -0.575 0.000) 0.575 3.039 ( 0.000 -4.067 0.000) 4.067 3.356 ( 0.000 -0.880 0.000) 0.880 3.383 ( 0.000 -0.299 0.000) 0.299 3.608 ( 0.000 9.502 0.000) 9.502 3.888 ( 0.000 -3.975 0.000) 3.975 4.181 ( 0.000 0.939 0.000) 0.939 4.195 ( 0.000 1.306 0.000) 1.306 4.220 ( 0.000 -0.755 0.000) 0.755 4.269 ( 0.000 -1.650 0.000) 1.650 6.613 ( 0.000 0.307 0.000) 0.307 6.629 ( 0.000 -0.359 0.000) 0.359 6.646 ( 0.000 0.032 0.000) 0.032 6.649 ( 0.000 -0.097 0.000) 0.097 7.008 ( 0.000 0.555 0.000) 0.555 7.016 ( 0.000 0.210 0.000) 0.210 7.085 ( 0.000 -0.874 0.000) 0.874 7.085 ( 0.000 -0.644 0.000) 0.644 7.123 ( 0.000 0.603 0.000) 0.603 7.132 ( 0.000 -0.060 0.000) 0.060 7.206 ( 0.000 0.338 0.000) 0.338 7.211 ( 0.000 0.121 0.000) 0.121 7.899 ( 0.000 0.152 0.000) 0.152 7.912 ( 0.000 -0.364 0.000) 0.364 7.979 ( 0.000 0.083 0.000) 0.083 7.981 ( 0.000 -0.018 0.000) 0.018 8.204 ( 0.000 0.091 0.000) 0.091 8.206 ( 0.000 -0.006 0.000) 0.006 8.233 ( 0.000 1.065 0.000) 1.065 8.278 ( 0.000 -0.810 0.000) 0.810 8.717 ( 0.000 0.050 0.000) 0.050 8.719 ( 0.000 -0.039 0.000) 0.039 8.741 ( 0.000 0.238 0.000) 0.238 8.753 ( 0.000 -0.252 0.000) 0.252 8.998 ( 0.000 0.365 0.000) 0.365 9.021 ( 0.000 -0.549 0.000) 0.549 9.034 ( 0.000 0.885 0.000) 0.885 9.075 ( 0.000 -0.807 0.000) 0.807 9.605 ( 0.000 0.001 0.000) 0.001 9.606 ( 0.000 -0.056 0.000) 0.056 9.656 ( 0.000 0.307 0.000) 0.307 9.670 ( 0.000 -0.260 0.000) 0.260 11.435 ( 0.000 0.261 0.000) 0.261 11.450 ( 0.000 -0.401 0.000) 0.401 11.467 ( 0.000 0.278 0.000) 0.278 11.475 ( 0.000 -0.106 0.000) 0.106 12.260 ( 0.000 0.125 0.000) 0.125 12.268 ( 0.000 -0.239 0.000) 0.239 12.286 ( 0.000 0.231 0.000) 0.231 12.293 ( 0.000 -0.108 0.000) 0.108 12.479 ( 0.000 0.210 0.000) 0.210 12.487 ( 0.000 -0.129 0.000) 0.129 12.507 ( 0.000 0.108 0.000) 0.108 12.511 ( 0.000 -0.060 0.000) 0.060 12.637 ( 0.000 0.073 0.000) 0.073 12.641 ( 0.000 -0.081 0.000) 0.081 12.721 ( 0.000 0.172 0.000) 0.172 12.728 ( 0.000 -0.136 0.000) 0.136 13.055 ( 0.000 0.158 0.000) 0.158 13.060 ( 0.000 -0.071 0.000) 0.071 13.097 ( 0.000 -0.024 0.000) 0.024 13.101 ( 0.000 -0.176 0.000) 0.176 13.329 ( 0.000 0.361 0.000) 0.361 13.354 ( 0.000 -0.807 0.000) 0.807 13.390 ( 0.000 0.750 0.000) 0.750 13.413 ( 0.000 -0.339 0.000) 0.339 13.549 ( 0.000 0.410 0.000) 0.410 13.575 ( 0.000 -0.808 0.000) 0.808 13.607 ( 0.000 0.673 0.000) 0.673 13.628 ( 0.000 -0.319 0.000) 0.319 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 14.002 9.146 3.540) 17.095 0.545 ( 11.917 12.570 5.227) 18.093 0.971 ( 9.192 -0.822 -1.703) 9.384 1.113 ( 9.645 2.329 3.072) 10.387 1.166 ( 7.185 -3.341 7.256) 10.744 1.372 ( 2.934 -0.927 2.790) 4.154 1.427 ( 1.443 6.835 -5.534) 8.912 1.529 ( -0.955 -3.766 -0.849) 3.977 1.601 ( -0.846 -1.394 0.194) 1.642 1.653 ( 1.756 1.624 -6.171) 6.618 1.751 ( 5.645 -3.264 0.155) 6.522 1.804 ( -3.199 0.031 -3.168) 4.502 1.852 ( -3.302 2.739 2.035) 4.749 1.896 ( -2.649 -2.206 -2.096) 4.034 1.951 ( 1.132 2.844 -1.288) 3.321 1.984 ( 0.942 -1.945 3.015) 3.709 2.103 ( -2.040 0.357 -2.467) 3.221 2.147 ( -0.277 -3.315 -0.655) 3.391 2.217 ( 2.338 0.600 5.477) 5.985 2.326 ( 1.658 3.544 0.928) 4.022 2.393 ( 0.015 -0.778 -0.416) 0.883 2.447 ( -2.114 1.078 0.376) 2.403 2.466 ( -1.490 0.378 -0.412) 1.591 2.525 ( -3.063 -3.062 -2.418) 4.960 2.555 ( -3.618 0.214 0.662) 3.684 2.594 ( -2.083 -1.091 -1.065) 2.582 2.665 ( 4.514 -1.715 1.435) 5.038 2.755 ( 2.599 -1.282 0.508) 2.943 2.776 ( 1.992 2.815 -5.567) 6.548 2.814 ( 1.770 -2.308 3.210) 4.332 2.872 ( -2.772 -0.915 5.393) 6.132 2.889 ( -0.497 -1.078 3.145) 3.362 3.024 ( 1.032 -3.962 -0.586) 4.136 3.071 ( -0.818 -3.602 6.168) 7.190 3.352 ( -0.218 1.849 -0.749) 2.007 3.417 ( 1.562 -0.595 0.681) 1.804 3.557 ( -4.444 6.504 -0.769) 7.914 3.669 ( -10.189 4.596 -7.801) 13.631 4.167 ( -0.327 1.200 -1.064) 1.637 4.189 ( -0.273 0.933 -0.243) 1.002 4.219 ( -0.630 -0.677 0.675) 1.145 4.260 ( -0.882 -1.678 -0.238) 1.911 6.601 ( -0.709 0.305 -0.496) 0.918 6.624 ( -0.457 -0.774 -0.295) 0.946 6.648 ( 0.056 0.443 0.592) 0.742 6.658 ( 0.121 -0.074 0.694) 0.708 7.011 ( -0.052 0.293 0.062) 0.303 7.021 ( 0.239 0.215 1.136) 1.180 7.069 ( -0.172 -0.021 0.140) 0.222 7.090 ( 0.664 -0.690 -0.140) 0.968 7.111 ( -0.732 0.789 0.342) 1.129 7.151 ( -1.051 -1.394 0.305) 1.772 7.204 ( -0.313 0.641 -0.350) 0.795 7.226 ( 0.515 -0.501 0.505) 0.878 7.897 ( -0.016 0.444 0.386) 0.588 7.914 ( 0.414 -0.096 0.547) 0.692 7.978 ( -0.370 -0.217 -0.672) 0.797 7.978 ( -0.131 -0.054 0.009) 0.142 8.187 ( -2.139 0.015 0.008) 2.139 8.190 ( -1.897 -0.119 0.377) 1.938 8.214 ( -2.142 1.115 0.117) 2.418 8.255 ( -2.178 -0.591 -0.135) 2.260 8.707 ( -0.667 0.235 -0.545) 0.893 8.718 ( -0.116 -0.210 -0.084) 0.254 8.742 ( -0.228 0.226 0.572) 0.656 8.756 ( -0.159 -0.284 0.498) 0.595 9.005 ( 0.964 0.441 -0.320) 1.107 9.029 ( 0.981 -0.559 -0.030) 1.129 9.047 ( 1.308 0.793 -0.019) 1.530 9.083 ( 0.814 -0.731 0.118) 1.101 9.609 ( 0.210 -0.005 0.225) 0.308 9.610 ( 0.308 -0.014 0.328) 0.450 9.659 ( 0.469 0.212 -0.183) 0.546 9.667 ( 0.196 -0.156 -0.754) 0.794 11.433 ( -0.389 0.207 0.190) 0.480 11.443 ( -0.366 -0.183 -0.329) 0.525 11.460 ( -0.324 0.590 -0.297) 0.736 11.476 ( -0.192 -0.214 0.299) 0.415 12.261 ( -0.318 0.332 0.130) 0.478 12.264 ( 0.546 0.032 -0.528) 0.760 12.287 ( 0.147 0.207 0.189) 0.317 12.296 ( 0.305 -0.153 0.074) 0.349 12.494 ( 1.082 -0.049 0.422) 1.162 12.497 ( 0.807 -0.085 0.350) 0.884 12.508 ( 0.313 0.147 -0.218) 0.409 12.513 ( 0.461 -0.040 -0.196) 0.502 12.641 ( 0.446 0.290 0.428) 0.683 12.649 ( 0.445 -0.118 0.745) 0.875 12.714 ( -0.540 -0.013 -0.584) 0.796 12.719 ( -0.430 -0.123 -0.907) 1.011 13.053 ( 0.761 0.845 0.447) 1.221 13.069 ( 0.890 -0.087 -0.255) 0.930 13.104 ( 0.707 -0.123 -0.458) 0.851 13.107 ( 1.029 -0.153 -0.007) 1.041 13.339 ( 0.674 0.332 0.576) 0.947 13.361 ( 0.499 -0.702 0.383) 0.943 13.393 ( 0.351 0.557 -0.104) 0.667 13.410 ( 0.024 -0.259 -0.495) 0.560 13.548 ( -0.241 0.495 0.656) 0.856 13.571 ( -0.614 -0.632 0.127) 0.890 13.595 ( -1.148 0.525 -0.372) 1.316 13.612 ( -1.348 -0.280 -0.637) 1.517 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 10.177 4.867 6.456) 12.997 0.896 ( 16.320 -2.930 4.944) 17.302 1.035 ( 3.763 -4.258 0.901) 5.753 1.199 ( 5.009 -6.906 2.917) 9.016 1.370 ( -1.583 3.258 -7.152) 8.017 1.392 ( 4.657 0.732 -5.949) 7.590 1.479 ( 1.881 1.848 -0.745) 2.740 1.537 ( 3.648 1.652 -6.102) 7.299 1.611 ( 5.392 5.660 2.182) 8.116 1.678 ( 1.373 2.099 -1.980) 3.195 1.691 ( 3.748 2.147 0.719) 4.379 1.717 ( -2.877 -1.073 -4.910) 5.791 1.821 ( -3.025 -3.607 0.317) 4.718 1.876 ( -1.299 -0.536 -1.336) 1.939 1.989 ( 1.463 3.818 -0.508) 4.120 2.031 ( 0.202 1.996 0.074) 2.008 2.061 ( 3.851 1.647 2.497) 4.877 2.129 ( 0.418 0.488 2.799) 2.872 2.245 ( -3.124 -1.710 1.276) 3.783 2.337 ( -5.217 0.662 1.394) 5.440 2.373 ( 2.218 -4.541 -5.986) 7.834 2.406 ( -3.050 -0.147 0.020) 3.053 2.435 ( -3.641 -0.249 0.442) 3.676 2.478 ( -4.732 -6.147 -0.892) 7.808 2.565 ( 2.044 4.727 6.897) 8.608 2.585 ( 6.542 2.301 -0.757) 6.976 2.736 ( 0.237 4.037 -2.759) 4.896 2.785 ( 3.141 0.364 -1.294) 3.417 2.791 ( 2.811 -0.827 3.795) 4.795 2.873 ( -1.817 -1.737 3.995) 4.720 2.881 ( -2.617 -1.222 7.056) 7.625 2.939 ( 3.621 -5.980 1.867) 7.235 3.029 ( -0.337 -1.729 0.636) 1.873 3.105 ( -2.801 -3.296 4.866) 6.511 3.313 ( -2.683 3.574 -2.403) 5.074 3.416 ( -0.684 1.683 -0.235) 1.832 3.430 ( -8.231 3.308 -3.910) 9.694 3.511 ( -2.394 -0.894 -0.538) 2.611 4.147 ( -0.412 1.021 -1.361) 1.750 4.183 ( -0.053 0.491 -0.306) 0.581 4.210 ( -1.095 -0.687 0.363) 1.343 4.238 ( -1.275 -1.390 -0.163) 1.893 6.584 ( -0.676 0.346 -0.212) 0.789 6.611 ( -0.667 -0.920 -0.100) 1.141 6.655 ( -0.220 0.517 0.658) 0.865 6.662 ( -0.280 0.044 0.139) 0.316 7.014 ( 0.420 0.416 0.183) 0.619 7.044 ( 0.587 -0.152 1.368) 1.497 7.076 ( 0.514 -0.504 -0.373) 0.811 7.093 ( -0.638 0.617 -0.076) 0.891 7.109 ( 0.764 -0.508 0.612) 1.103 7.128 ( -1.346 -0.393 0.048) 1.403 7.187 ( -0.832 1.090 -0.626) 1.508 7.224 ( -0.557 -0.595 -0.481) 0.947 7.899 ( -0.851 0.536 0.598) 1.170 7.924 ( -0.822 -0.730 0.531) 1.221 7.956 ( -1.149 0.544 -0.402) 1.333 7.976 ( -0.309 -0.436 0.195) 0.568 8.141 ( -2.954 0.126 0.179) 2.962 8.150 ( -2.564 -0.313 0.064) 2.583 8.177 ( -2.086 0.985 0.401) 2.342 8.213 ( -2.379 -0.546 0.170) 2.446 8.688 ( -0.798 0.497 -0.458) 1.045 8.714 ( -0.202 -0.577 -0.099) 0.619 8.744 ( -0.447 0.226 0.794) 0.938 8.756 ( -0.384 -0.187 0.383) 0.574 9.025 ( 1.750 0.530 -0.243) 1.845 9.053 ( 1.613 -0.654 0.027) 1.741 9.074 ( 1.805 0.671 -0.068) 1.927 9.102 ( 1.143 -0.554 0.082) 1.273 9.618 ( 0.308 0.078 0.435) 0.539 9.623 ( 0.486 -0.128 0.646) 0.819 9.662 ( 0.411 0.167 -0.992) 1.087 9.669 ( 0.867 -0.090 -0.172) 0.888 11.427 ( -0.545 0.104 0.281) 0.622 11.434 ( -0.383 -0.205 -0.212) 0.484 11.451 ( -0.338 0.696 -0.169) 0.792 11.474 ( -0.327 -0.357 0.186) 0.519 12.259 ( -0.056 0.419 0.068) 0.429 12.272 ( 0.678 -0.139 -0.077) 0.696 12.295 ( 0.358 0.145 0.425) 0.574 12.304 ( 0.451 -0.200 0.219) 0.539 12.510 ( 0.425 0.103 -0.314) 0.539 12.516 ( 0.793 -0.152 0.237) 0.841 12.521 ( 1.166 0.048 0.297) 1.204 12.524 ( 1.048 -0.033 -0.120) 1.055 12.662 ( 0.922 0.176 0.976) 1.354 12.671 ( 0.651 -0.178 1.178) 1.357 12.692 ( -0.789 0.117 -1.089) 1.350 12.697 ( -0.563 -0.081 -1.211) 1.337 13.081 ( 1.256 0.140 -0.234) 1.285 13.088 ( 1.607 0.115 0.544) 1.700 13.114 ( 1.236 0.220 -0.523) 1.360 13.133 ( 1.674 -0.374 0.258) 1.734 13.362 ( 1.045 0.242 0.710) 1.286 13.378 ( 0.936 -0.542 0.323) 1.129 13.398 ( 0.567 0.336 -0.490) 0.822 13.405 ( 0.205 -0.082 -0.436) 0.489 13.552 ( -0.613 0.094 0.974) 1.155 13.557 ( -1.223 -0.139 0.230) 1.252 13.564 ( -1.645 0.211 -0.433) 1.715 13.573 ( -1.914 -0.175 -0.901) 2.123 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.705 0.409 6.388) 7.944 1.016 ( 0.635 -1.205 -2.828) 3.139 1.158 ( 2.973 5.126 3.292) 6.779 1.256 ( 4.159 1.581 -7.611) 8.816 1.333 ( -0.276 -1.957 -5.742) 6.073 1.404 ( 6.054 -4.439 3.243) 8.178 1.477 ( -1.088 3.129 -4.078) 5.254 1.542 ( 5.739 -0.384 -0.368) 5.764 1.603 ( 0.285 -1.015 -3.569) 3.721 1.634 ( 1.334 2.548 1.126) 3.089 1.712 ( 2.759 -2.734 -3.212) 5.040 1.777 ( 2.451 2.859 1.077) 3.917 1.831 ( -0.242 -1.909 -0.929) 2.137 1.881 ( -0.712 -0.822 3.367) 3.538 1.957 ( -0.918 -0.490 -2.194) 2.428 1.984 ( -2.814 1.181 -4.303) 5.276 2.120 ( 2.156 -1.917 -0.154) 2.889 2.199 ( -1.278 0.937 1.094) 1.926 2.236 ( -3.955 -0.996 -0.113) 4.080 2.313 ( 0.797 1.682 4.095) 4.498 2.327 ( -5.462 -2.937 -0.693) 6.240 2.341 ( 0.238 1.375 -3.047) 3.351 2.383 ( 0.226 0.518 -1.811) 1.897 2.413 ( 1.763 -0.312 2.670) 3.215 2.601 ( -3.861 5.046 -1.727) 6.584 2.712 ( 4.012 4.121 4.999) 7.620 2.737 ( 3.762 1.440 0.786) 4.104 2.826 ( 3.114 0.155 -0.539) 3.164 2.867 ( -0.314 -0.994 4.886) 4.996 2.891 ( -1.469 -3.689 2.452) 4.666 2.957 ( 3.060 -0.566 5.271) 6.121 2.991 ( -0.913 1.267 -0.553) 1.656 3.039 ( 1.257 -3.391 2.641) 4.478 3.090 ( -3.039 -2.582 2.187) 4.548 3.229 ( -4.058 1.131 -2.456) 4.876 3.298 ( -1.687 0.814 -0.688) 1.996 3.412 ( 0.121 0.215 -0.331) 0.412 3.459 ( -3.216 -0.761 -1.041) 3.465 4.126 ( -0.322 0.960 -1.078) 1.479 4.178 ( 0.142 -0.667 -1.033) 1.238 4.194 ( -0.949 -0.106 0.448) 1.055 4.215 ( -1.198 -0.832 -0.021) 1.459 6.575 ( -0.307 0.354 0.086) 0.477 6.599 ( -0.678 -0.693 0.118) 0.976 6.652 ( -0.625 0.226 -0.391) 0.771 6.656 ( -0.283 0.137 0.421) 0.525 7.025 ( 0.195 0.285 0.158) 0.379 7.048 ( -0.644 -0.582 -0.530) 1.017 7.080 ( 0.942 0.983 0.241) 1.383 7.090 ( -0.510 0.022 0.183) 0.543 7.115 ( -0.523 -0.254 0.794) 0.984 7.134 ( 1.018 -0.796 0.442) 1.366 7.170 ( -0.337 0.978 -0.200) 1.054 7.202 ( -0.826 -0.502 -0.988) 1.382 7.873 ( -2.570 0.451 0.219) 2.619 7.893 ( -2.307 -0.242 -0.094) 2.321 7.922 ( -2.516 0.868 -0.341) 2.683 7.971 ( -0.824 -0.993 0.455) 1.369 8.103 ( -1.644 0.287 0.672) 1.799 8.122 ( -0.972 -0.683 0.219) 1.208 8.157 ( -0.510 0.955 0.356) 1.140 8.189 ( -0.790 -0.521 0.605) 1.123 8.671 ( -0.634 0.655 -0.271) 0.951 8.709 ( -0.250 -0.945 -0.164) 0.991 8.744 ( -0.471 0.261 0.655) 0.847 8.752 ( -0.383 0.041 0.179) 0.425 9.056 ( 1.870 0.461 -0.024) 1.926 9.080 ( 1.364 -0.594 0.079) 1.490 9.102 ( 1.416 0.477 -0.069) 1.496 9.121 ( 0.906 -0.353 -0.094) 0.976 9.629 ( 0.270 0.083 0.573) 0.639 9.637 ( 0.363 -0.358 0.424) 0.663 9.662 ( 0.559 0.632 -0.561) 1.013 9.683 ( 0.899 -0.345 -0.051) 0.965 11.421 ( -0.485 0.031 0.196) 0.524 11.425 ( -0.308 -0.193 -0.168) 0.400 11.446 ( -0.265 0.699 0.151) 0.762 11.469 ( -0.326 -0.363 -0.048) 0.490 12.259 ( -0.031 0.532 0.114) 0.545 12.283 ( 0.611 -0.423 0.064) 0.746 12.307 ( 0.396 0.127 0.438) 0.604 12.315 ( 0.391 -0.113 0.323) 0.520 12.511 ( 0.295 0.274 -0.530) 0.666 12.528 ( 0.542 -0.464 -0.085) 0.719 12.540 ( 0.801 0.074 0.104) 0.811 12.542 ( 0.842 0.053 0.065) 0.846 12.664 ( -0.600 0.092 -0.904) 1.089 12.673 ( -0.434 -0.252 -0.931) 1.057 12.694 ( 0.955 0.195 0.990) 1.389 12.699 ( 0.642 0.002 1.142) 1.310 13.094 ( 0.830 0.241 -0.443) 0.971 13.112 ( 1.059 -0.603 -0.594) 1.356 13.142 ( 1.594 0.669 0.659) 1.850 13.165 ( 1.532 -0.383 0.311) 1.610 13.382 ( 0.131 0.030 -1.048) 1.057 13.386 ( 0.941 -0.140 0.077) 0.955 13.408 ( 0.512 0.278 -0.128) 0.597 13.418 ( 1.508 -0.174 0.780) 1.707 13.527 ( -1.676 0.007 -0.428) 1.729 13.530 ( -1.714 -0.087 -0.286) 1.740 13.543 ( -1.043 0.170 0.204) 1.076 13.550 ( -0.995 -0.141 0.600) 1.170 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -0.317 0.469 -0.884) 1.050 1.038 ( -0.068 -1.951 0.850) 2.129 1.212 ( 2.350 4.321 -1.474) 5.135 1.262 ( 2.034 4.126 1.274) 4.773 1.328 ( -0.742 4.927 -3.637) 6.169 1.376 ( -0.472 4.410 -0.182) 4.439 1.486 ( 1.006 -1.573 1.719) 2.538 1.595 ( 0.024 -1.457 -1.739) 2.268 1.641 ( 1.967 -1.315 0.691) 2.465 1.698 ( 1.032 -2.665 2.021) 3.500 1.743 ( 4.316 -1.436 -1.988) 4.964 1.806 ( -1.537 2.571 -1.403) 3.308 1.848 ( 2.512 -6.145 -1.067) 6.724 1.872 ( 1.047 1.653 -0.776) 2.105 1.909 ( 2.497 -1.275 1.517) 3.187 1.946 ( -0.061 1.303 -0.381) 1.359 2.073 ( -8.453 -0.318 -0.628) 8.482 2.120 ( -3.271 -5.064 -1.306) 6.168 2.170 ( -2.252 -1.008 -1.723) 3.009 2.268 ( 0.282 -3.243 0.298) 3.269 2.330 ( 0.063 1.921 2.441) 3.107 2.361 ( 0.313 1.899 -1.240) 2.289 2.394 ( 2.533 3.163 -1.976) 4.508 2.469 ( -0.663 -4.112 2.146) 4.686 2.550 ( -0.148 6.976 0.133) 6.979 2.795 ( 1.312 0.078 0.657) 1.470 2.805 ( -0.323 0.393 2.435) 2.487 2.845 ( 0.078 -2.660 0.295) 2.677 2.894 ( 0.463 2.214 1.017) 2.480 2.923 ( 1.544 -1.386 -1.913) 2.822 2.935 ( 0.631 1.192 1.537) 2.045 3.033 ( -4.368 -1.961 1.654) 5.066 3.065 ( 1.817 0.503 1.733) 2.561 3.094 ( 1.030 -0.685 0.245) 1.261 3.177 ( 0.312 3.502 0.310) 3.530 3.319 ( 1.908 -0.190 1.086) 2.204 3.381 ( -3.335 0.001 -1.243) 3.559 3.406 ( -0.271 -2.971 -0.783) 3.085 4.115 ( -0.070 0.852 -0.393) 0.941 4.165 ( -0.184 -1.253 -0.586) 1.395 4.191 ( 0.047 0.123 -0.042) 0.138 4.200 ( -0.653 -0.322 0.240) 0.767 6.574 ( -0.049 0.315 0.097) 0.334 6.592 ( -0.299 -0.429 0.112) 0.534 6.638 ( -0.340 0.408 -0.298) 0.608 6.655 ( -0.106 -0.292 0.151) 0.346 7.016 ( -0.528 0.306 -0.185) 0.638 7.042 ( 0.140 -0.880 -0.248) 0.925 7.087 ( 0.140 0.588 -0.051) 0.606 7.095 ( 0.217 0.719 0.289) 0.805 7.110 ( -0.499 0.159 0.194) 0.559 7.152 ( 0.409 -0.960 0.367) 1.106 7.173 ( 0.249 0.267 0.243) 0.439 7.181 ( -0.383 -0.099 -0.650) 0.761 7.834 ( -1.417 0.231 -0.021) 1.436 7.860 ( -1.199 -0.526 -0.005) 1.309 7.880 ( -1.339 1.858 -0.256) 2.304 7.961 ( -0.576 -1.488 0.271) 1.619 8.098 ( -0.232 0.313 0.852) 0.937 8.109 ( -0.425 -0.110 -0.543) 0.698 8.163 ( 0.260 0.471 0.332) 0.632 8.191 ( -0.004 -0.618 0.361) 0.716 8.661 ( -0.255 0.695 -0.101) 0.747 8.703 ( -0.126 -1.180 -0.100) 1.191 8.743 ( -0.195 0.292 0.259) 0.436 8.748 ( -0.153 0.236 0.048) 0.285 9.082 ( 0.952 0.285 0.066) 0.996 9.096 ( 0.385 -0.300 0.008) 0.488 9.119 ( 0.506 0.245 0.029) 0.563 9.130 ( 0.320 -0.216 -0.149) 0.414 9.638 ( 0.081 -0.013 0.497) 0.504 9.642 ( 0.163 -0.292 -0.207) 0.394 9.667 ( 0.261 0.789 -0.029) 0.832 9.695 ( 0.392 -0.477 0.008) 0.618 11.415 ( -0.195 0.095 -0.068) 0.228 11.421 ( -0.120 -0.214 0.069) 0.255 11.445 ( -0.101 0.575 0.149) 0.603 11.464 ( -0.141 -0.287 -0.094) 0.334 12.260 ( -0.016 0.603 0.053) 0.606 12.292 ( 0.227 -0.740 0.038) 0.775 12.316 ( 0.208 0.208 0.205) 0.359 12.323 ( 0.135 0.022 0.149) 0.202 12.510 ( 0.096 0.406 -0.256) 0.490 12.533 ( 0.149 -0.585 -0.045) 0.606 12.550 ( 0.228 0.063 0.014) 0.237 12.553 ( 0.350 0.006 -0.034) 0.351 12.651 ( -0.158 0.140 -0.271) 0.343 12.659 ( -0.210 -0.171 -0.452) 0.527 12.716 ( 0.448 0.071 0.409) 0.611 12.717 ( 0.258 0.020 0.545) 0.603 13.100 ( 0.287 0.270 -0.194) 0.439 13.119 ( 0.411 -0.585 -0.325) 0.786 13.168 ( 0.631 0.510 0.303) 0.866 13.187 ( 0.587 -0.313 0.128) 0.677 13.373 ( -0.025 0.213 -0.505) 0.548 13.389 ( 0.022 -0.583 -0.320) 0.666 13.426 ( 0.972 0.754 0.259) 1.258 13.450 ( 0.960 -0.358 0.417) 1.106 13.502 ( -0.703 0.008 -0.204) 0.732 13.503 ( -0.919 -0.021 -0.007) 0.920 13.534 ( -0.331 0.009 0.185) 0.379 13.536 ( -0.870 -0.071 0.054) 0.874 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 -15.408 0.000) 15.408 0.678 ( 0.000 15.408 0.000) 15.408 0.968 ( 0.000 -21.508 0.000) 21.508 0.968 ( 0.000 21.508 0.000) 21.508 1.133 ( 0.000 -11.438 0.000) 11.438 1.133 ( 0.000 11.438 0.000) 11.438 1.492 ( 0.000 -4.837 0.000) 4.837 1.492 ( 0.000 4.837 0.000) 4.837 1.547 ( 0.000 -0.742 0.000) 0.742 1.547 ( 0.000 0.742 0.000) 0.742 1.762 ( 0.000 -7.718 0.000) 7.718 1.762 ( 0.000 7.718 0.000) 7.718 1.935 ( 0.000 -1.931 0.000) 1.931 1.935 ( 0.000 1.931 0.000) 1.931 1.978 ( 0.000 -0.752 0.000) 0.752 1.978 ( 0.000 0.752 0.000) 0.752 2.025 ( 0.000 -4.565 0.000) 4.565 2.025 ( 0.000 4.565 0.000) 4.565 2.339 ( 0.000 -6.728 0.000) 6.728 2.339 ( 0.000 6.728 0.000) 6.728 2.475 ( 0.000 -4.455 0.000) 4.455 2.475 ( 0.000 4.455 0.000) 4.455 2.521 ( 0.000 -1.118 0.000) 1.118 2.521 ( 0.000 1.118 0.000) 1.118 2.569 ( 0.000 -1.528 0.000) 1.528 2.569 ( 0.000 1.528 0.000) 1.528 2.588 ( 0.000 -0.334 0.000) 0.334 2.588 ( 0.000 0.334 0.000) 0.334 2.836 ( 0.000 -1.008 0.000) 1.008 2.836 ( 0.000 1.008 0.000) 1.008 2.889 ( 0.000 -1.732 0.000) 1.732 2.889 ( 0.000 1.732 0.000) 1.732 2.970 ( 0.000 -0.003 0.000) 0.003 2.970 ( 0.000 0.003 0.000) 0.003 3.368 ( 0.000 -1.152 0.000) 1.152 3.368 ( 0.000 1.152 0.000) 1.152 3.776 ( 0.000 -7.469 0.000) 7.469 3.776 ( 0.000 7.469 0.000) 7.469 4.201 ( 0.000 -1.100 0.000) 1.100 4.201 ( 0.000 1.100 0.000) 1.100 4.230 ( 0.000 -2.163 0.000) 2.163 4.230 ( 0.000 2.163 0.000) 2.163 6.621 ( 0.000 -0.469 0.000) 0.469 6.621 ( 0.000 0.469 0.000) 0.469 6.647 ( 0.000 -0.087 0.000) 0.087 6.647 ( 0.000 0.087 0.000) 0.087 7.017 ( 0.000 -0.227 0.000) 0.227 7.017 ( 0.000 0.227 0.000) 0.227 7.076 ( 0.000 -0.093 0.000) 0.093 7.076 ( 0.000 0.093 0.000) 0.093 7.130 ( 0.000 -0.173 0.000) 0.173 7.130 ( 0.000 0.173 0.000) 0.173 7.211 ( 0.000 -0.141 0.000) 0.141 7.211 ( 0.000 0.141 0.000) 0.141 7.904 ( 0.000 -0.361 0.000) 0.361 7.904 ( 0.000 0.361 0.000) 0.361 7.981 ( 0.000 -0.056 0.000) 0.056 7.981 ( 0.000 0.056 0.000) 0.056 8.206 ( 0.000 -0.061 0.000) 0.061 8.206 ( 0.000 0.061 0.000) 0.061 8.257 ( 0.000 -1.309 0.000) 1.309 8.257 ( 0.000 1.309 0.000) 1.309 8.718 ( 0.000 -0.070 0.000) 0.070 8.718 ( 0.000 0.070 0.000) 0.070 8.747 ( 0.000 -0.338 0.000) 0.338 8.747 ( 0.000 0.338 0.000) 0.338 9.009 ( 0.000 -0.677 0.000) 0.677 9.009 ( 0.000 0.677 0.000) 0.677 9.055 ( 0.000 -1.168 0.000) 1.168 9.055 ( 0.000 1.168 0.000) 1.168 9.606 ( 0.000 -0.033 0.000) 0.033 9.606 ( 0.000 0.033 0.000) 0.033 9.663 ( 0.000 -0.394 0.000) 0.394 9.663 ( 0.000 0.394 0.000) 0.394 11.442 ( 0.000 -0.407 0.000) 0.407 11.442 ( 0.000 0.407 0.000) 0.407 11.472 ( 0.000 -0.210 0.000) 0.210 11.472 ( 0.000 0.210 0.000) 0.210 12.264 ( 0.000 -0.218 0.000) 0.218 12.264 ( 0.000 0.218 0.000) 0.218 12.290 ( 0.000 -0.192 0.000) 0.192 12.290 ( 0.000 0.192 0.000) 0.192 12.483 ( 0.000 -0.231 0.000) 0.231 12.483 ( 0.000 0.231 0.000) 0.231 12.509 ( 0.000 -0.121 0.000) 0.121 12.509 ( 0.000 0.121 0.000) 0.121 12.639 ( 0.000 -0.109 0.000) 0.109 12.639 ( 0.000 0.109 0.000) 0.109 12.725 ( 0.000 -0.217 0.000) 0.217 12.725 ( 0.000 0.217 0.000) 0.217 13.058 ( 0.000 -0.162 0.000) 0.162 13.058 ( 0.000 0.162 0.000) 0.162 13.098 ( 0.000 -0.106 0.000) 0.106 13.098 ( 0.000 0.106 0.000) 0.106 13.339 ( 0.000 -0.661 0.000) 0.661 13.339 ( 0.000 0.661 0.000) 0.661 13.404 ( 0.000 -0.606 0.000) 0.606 13.404 ( 0.000 0.606 0.000) 0.606 13.560 ( 0.000 -0.708 0.000) 0.708 13.560 ( 0.000 0.708 0.000) 0.708 13.619 ( 0.000 -0.549 0.000) 0.549 13.619 ( 0.000 0.549 0.000) 0.549 ======================= Grid point 20 (12/69) ======================= q-point: ( 0.11 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 5.598 -10.607 -3.817) 12.586 0.723 ( 5.598 10.607 -3.817) 12.586 0.874 ( 1.130 -12.666 3.889) 13.297 0.874 ( 1.130 12.666 3.889) 13.297 1.359 ( 6.804 -3.450 7.366) 10.604 1.359 ( 6.804 3.450 7.366) 10.604 1.550 ( 1.970 -4.732 -3.091) 5.986 1.550 ( 1.970 4.732 -3.091) 5.986 1.573 ( 8.754 -8.373 -1.729) 12.237 1.573 ( 8.754 8.373 -1.729) 12.237 1.734 ( 0.069 -3.548 -3.027) 4.664 1.734 ( 0.069 3.548 -3.027) 4.664 1.904 ( -2.536 -1.265 -2.659) 3.887 1.904 ( -2.536 1.265 -2.659) 3.887 1.965 ( 2.254 -3.406 1.628) 4.397 1.965 ( 2.254 3.406 1.628) 4.397 2.096 ( 0.707 -0.347 2.327) 2.457 2.096 ( 0.707 0.347 2.327) 2.457 2.282 ( -2.510 -4.723 -2.291) 5.819 2.282 ( -2.510 4.723 -2.291) 5.819 2.432 ( -2.373 -1.874 -1.790) 3.514 2.432 ( -2.373 1.874 -1.790) 3.514 2.487 ( -4.246 -2.215 2.655) 5.476 2.487 ( -4.246 2.215 2.655) 5.476 2.579 ( 1.133 -1.732 -0.234) 2.083 2.579 ( 1.133 1.732 -0.234) 2.083 2.651 ( 4.103 -2.585 1.938) 5.222 2.651 ( 4.103 2.585 1.938) 5.222 2.842 ( -0.924 -1.738 1.586) 2.528 2.842 ( -0.924 1.738 1.586) 2.528 2.861 ( -1.190 -1.934 -0.314) 2.292 2.861 ( -1.190 1.934 -0.314) 2.292 3.004 ( 0.192 -2.091 3.746) 4.294 3.004 ( 0.192 2.091 3.746) 4.294 3.394 ( 1.621 -1.906 0.747) 2.611 3.394 ( 1.621 1.906 0.747) 2.611 3.665 ( -8.215 -3.819 -4.204) 9.987 3.665 ( -8.215 3.819 -4.204) 9.987 4.193 ( -0.069 -1.140 -1.270) 1.708 4.193 ( -0.069 1.140 -1.270) 1.708 4.223 ( -1.155 -1.728 0.848) 2.245 4.223 ( -1.155 1.728 0.848) 2.245 6.610 ( -0.615 -0.604 -0.497) 0.995 6.610 ( -0.615 0.604 -0.497) 0.995 6.655 ( 0.137 -0.253 0.759) 0.812 6.655 ( 0.137 0.253 0.759) 0.812 7.018 ( 0.084 -0.407 0.329) 0.530 7.018 ( 0.084 0.407 0.329) 0.530 7.075 ( 0.256 -0.736 -0.023) 0.780 7.075 ( 0.256 0.736 -0.023) 0.780 7.129 ( -0.672 -0.975 0.298) 1.221 7.129 ( -0.672 0.975 0.298) 1.221 7.216 ( 0.161 -0.566 0.035) 0.589 7.216 ( 0.161 0.566 0.035) 0.589 7.907 ( 0.154 -0.544 0.404) 0.694 7.907 ( 0.154 0.544 0.404) 0.694 7.977 ( -0.235 -0.085 -0.317) 0.404 7.977 ( -0.235 0.085 -0.317) 0.404 8.188 ( -2.019 -0.083 0.094) 2.023 8.188 ( -2.019 0.083 0.094) 2.023 8.237 ( -2.129 -1.194 0.027) 2.441 8.237 ( -2.129 1.194 0.027) 2.441 8.712 ( -0.381 -0.328 -0.356) 0.616 8.712 ( -0.381 0.328 -0.356) 0.616 8.749 ( -0.214 -0.397 0.561) 0.720 8.749 ( -0.214 0.397 0.561) 0.720 9.016 ( 0.995 -0.714 -0.160) 1.235 9.016 ( 0.995 0.714 -0.160) 1.235 9.065 ( 1.069 -1.046 0.042) 1.497 9.065 ( 1.069 1.046 0.042) 1.497 9.610 ( 0.264 -0.012 0.292) 0.394 9.610 ( 0.264 0.012 0.292) 0.394 9.663 ( 0.327 -0.236 -0.472) 0.621 9.663 ( 0.327 0.236 -0.472) 0.621 11.438 ( -0.358 -0.274 -0.076) 0.457 11.438 ( -0.358 0.274 -0.076) 0.457 11.470 ( -0.261 -0.440 0.009) 0.512 11.470 ( -0.261 0.440 0.009) 0.512 12.264 ( 0.120 -0.053 -0.103) 0.167 12.264 ( 0.120 0.053 -0.103) 0.167 12.292 ( 0.189 -0.264 0.110) 0.343 12.292 ( 0.189 0.264 0.110) 0.343 12.495 ( 0.896 -0.103 0.412) 0.992 12.495 ( 0.896 0.103 0.412) 0.992 12.511 ( 0.393 -0.151 -0.208) 0.469 12.511 ( 0.393 0.151 -0.208) 0.469 12.646 ( 0.443 -0.226 0.593) 0.774 12.646 ( 0.443 0.226 0.593) 0.774 12.716 ( -0.461 -0.146 -0.784) 0.921 12.716 ( -0.461 0.146 -0.784) 0.921 13.065 ( 0.797 -0.376 0.169) 0.897 13.065 ( 0.797 0.376 0.169) 0.897 13.104 ( 0.859 -0.139 -0.266) 0.910 13.104 ( 0.859 0.139 -0.266) 0.910 13.348 ( 0.616 -0.603 0.490) 0.992 13.348 ( 0.616 0.603 0.490) 0.992 13.403 ( 0.171 -0.452 -0.337) 0.589 13.403 ( 0.171 0.452 -0.337) 0.589 13.559 ( -0.403 -0.588 0.409) 0.822 13.559 ( -0.403 0.588 0.409) 0.822 13.605 ( -1.278 -0.449 -0.534) 1.456 13.605 ( -1.278 0.449 -0.534) 1.456 ======================= Grid point 22 (13/69) ======================= q-point: ( 0.22 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 8.734 -4.104 2.614) 9.998 0.849 ( 8.734 4.104 2.614) 9.998 1.044 ( 9.742 -6.737 5.988) 13.272 1.044 ( 9.742 6.737 5.988) 13.272 1.401 ( -1.295 -0.309 -6.630) 6.762 1.401 ( -1.295 0.309 -6.630) 6.762 1.535 ( 1.965 -2.382 -6.196) 6.923 1.535 ( 1.965 2.382 -6.196) 6.923 1.685 ( 1.315 -1.932 2.499) 3.421 1.685 ( 1.315 1.932 2.499) 3.421 1.718 ( 2.299 -2.775 -3.093) 4.749 1.718 ( 2.299 2.775 -3.093) 4.749 1.810 ( -1.093 -3.850 -2.611) 4.779 1.810 ( -1.093 3.850 -2.611) 4.779 2.058 ( -0.894 -0.739 -2.342) 2.614 2.058 ( -0.894 0.739 -2.342) 2.614 2.126 ( 4.013 -2.633 6.050) 7.723 2.126 ( 4.013 2.633 6.050) 7.723 2.244 ( 1.430 -4.678 -1.408) 5.090 2.244 ( 1.430 4.678 -1.408) 5.090 2.373 ( -5.581 -3.306 -0.016) 6.487 2.373 ( -5.581 3.306 -0.016) 6.487 2.426 ( -3.038 -0.764 1.033) 3.298 2.426 ( -3.038 0.764 1.033) 3.298 2.632 ( 4.448 -2.112 0.655) 4.968 2.632 ( 4.448 2.112 0.655) 4.968 2.754 ( 3.732 -4.457 3.982) 7.046 2.754 ( 3.732 4.457 3.982) 7.046 2.835 ( 0.987 -2.556 -1.548) 3.147 2.835 ( 0.987 2.556 -1.548) 3.147 2.865 ( -2.511 -1.720 6.112) 6.828 2.865 ( -2.511 1.720 6.112) 6.828 3.037 ( -0.718 -2.605 2.662) 3.793 3.037 ( -0.718 2.605 2.662) 3.793 3.392 ( -2.940 -3.616 -2.886) 5.482 3.392 ( -2.940 3.616 -2.886) 5.482 3.487 ( -5.592 -1.958 -1.259) 6.057 3.487 ( -5.592 1.958 -1.259) 6.057 4.174 ( -0.195 -1.482 -1.659) 2.233 4.174 ( -0.195 1.482 -1.659) 2.233 4.212 ( -1.310 -1.062 0.938) 1.929 4.212 ( -1.310 1.062 0.938) 1.929 6.595 ( -0.651 -0.729 -0.157) 0.989 6.595 ( -0.651 0.729 -0.157) 0.989 6.661 ( -0.261 -0.176 0.423) 0.528 6.661 ( -0.261 0.176 0.423) 0.528 7.028 ( 0.343 -0.986 0.588) 1.198 7.028 ( 0.343 0.986 0.588) 1.198 7.086 ( 1.002 -0.994 -0.281) 1.439 7.086 ( 1.002 0.994 -0.281) 1.439 7.115 ( -1.086 -0.813 0.514) 1.450 7.115 ( -1.086 0.813 0.514) 1.450 7.208 ( -0.670 -1.005 -0.502) 1.308 7.208 ( -0.670 1.005 -0.502) 1.308 7.911 ( -0.801 -0.676 0.579) 1.197 7.911 ( -0.801 0.676 0.579) 1.197 7.966 ( -0.713 -0.549 -0.139) 0.910 7.966 ( -0.713 0.549 -0.139) 0.910 8.144 ( -2.805 -0.236 0.085) 2.817 8.144 ( -2.805 0.236 0.085) 2.817 8.197 ( -2.247 -0.992 0.276) 2.471 8.197 ( -2.247 0.992 0.276) 2.471 8.700 ( -0.508 -0.763 -0.351) 0.982 8.700 ( -0.508 0.763 -0.351) 0.982 8.750 ( -0.390 -0.352 0.654) 0.839 8.750 ( -0.390 0.352 0.654) 0.839 9.038 ( 1.660 -0.781 -0.089) 1.836 9.038 ( 1.660 0.781 -0.089) 1.836 9.089 ( 1.504 -0.789 -0.022) 1.698 9.089 ( 1.504 0.789 -0.022) 1.698 9.620 ( 0.370 -0.139 0.510) 0.646 9.620 ( 0.370 0.139 0.510) 0.646 9.666 ( 0.664 -0.182 -0.557) 0.886 9.666 ( 0.664 0.182 -0.557) 0.886 11.430 ( -0.472 -0.168 -0.020) 0.501 11.430 ( -0.472 0.168 -0.020) 0.501 11.465 ( -0.347 -0.644 0.041) 0.732 11.465 ( -0.347 0.644 0.041) 0.732 12.267 ( 0.282 -0.372 -0.014) 0.467 12.267 ( 0.282 0.372 -0.014) 0.467 12.299 ( 0.390 -0.284 0.323) 0.581 12.299 ( 0.390 0.284 0.323) 0.581 12.513 ( 0.587 -0.177 -0.063) 0.616 12.513 ( 0.587 0.177 -0.063) 0.616 12.522 ( 1.120 -0.092 0.116) 1.130 12.522 ( 1.120 0.092 0.116) 1.130 12.666 ( 0.711 -0.255 1.014) 1.264 12.666 ( 0.711 0.255 1.014) 1.264 12.695 ( -0.596 -0.148 -1.096) 1.257 12.695 ( -0.596 0.148 -1.096) 1.257 13.086 ( 1.287 -0.298 -0.122) 1.326 13.086 ( 1.287 0.298 -0.122) 1.326 13.123 ( 1.523 -0.576 0.120) 1.632 13.123 ( 1.523 0.576 0.120) 1.632 13.369 ( 0.995 -0.450 0.532) 1.215 13.369 ( 0.995 0.450 0.532) 1.215 13.403 ( 0.396 -0.182 -0.482) 0.650 13.403 ( 0.396 0.182 -0.482) 0.650 13.555 ( -0.892 -0.132 0.628) 1.098 13.555 ( -0.892 0.132 0.628) 1.098 13.569 ( -1.821 -0.242 -0.707) 1.968 13.569 ( -1.821 0.242 -0.707) 1.968 ======================= Grid point 24 (14/69) ======================= q-point: ( 0.33 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.446 -1.493 2.521) 3.817 0.989 ( 2.446 1.493 2.521) 3.817 1.261 ( 4.097 -3.935 -2.631) 6.260 1.261 ( 4.097 3.935 -2.631) 6.260 1.320 ( 6.963 -2.658 -0.255) 7.458 1.320 ( 6.963 2.658 -0.255) 7.458 1.514 ( 2.517 -1.590 -2.963) 4.200 1.514 ( 2.517 1.590 -2.963) 4.200 1.635 ( -1.286 -3.162 -3.706) 5.039 1.635 ( -1.286 3.162 -3.706) 5.039 1.728 ( -0.317 -4.923 -0.366) 4.947 1.728 ( -0.317 4.923 -0.366) 4.947 1.849 ( 1.288 -2.197 2.528) 3.588 1.849 ( 1.288 2.197 2.528) 3.588 1.994 ( -1.625 -2.228 -2.892) 3.996 1.994 ( -1.625 2.228 -2.892) 3.996 2.143 ( -3.079 -5.213 -1.904) 6.346 2.143 ( -3.079 5.213 -1.904) 6.346 2.242 ( -5.264 -2.018 1.037) 5.732 2.242 ( -5.264 2.018 1.037) 5.732 2.350 ( 0.229 -1.315 4.201) 4.408 2.350 ( 0.229 1.315 4.201) 4.408 2.414 ( 3.628 -1.142 -2.518) 4.561 2.414 ( 3.628 1.142 -2.518) 4.561 2.701 ( 1.555 -5.015 -0.286) 5.258 2.701 ( 1.555 5.015 -0.286) 5.258 2.807 ( -2.267 -4.815 0.548) 5.350 2.807 ( -2.267 4.815 0.548) 5.350 2.855 ( 3.292 -1.713 3.097) 4.834 2.855 ( 3.292 1.713 3.097) 4.834 2.957 ( 3.755 -2.260 6.563) 7.892 2.957 ( 3.755 2.260 6.563) 7.892 3.034 ( -1.580 -2.656 0.341) 3.109 3.034 ( -1.580 2.656 0.341) 3.109 3.277 ( -3.541 -2.850 -1.796) 4.887 3.277 ( -3.541 2.850 -1.796) 4.887 3.433 ( -2.233 -1.726 -0.647) 2.895 3.433 ( -2.233 1.726 -0.647) 2.895 4.153 ( -0.290 -1.614 -1.348) 2.123 4.153 ( -0.290 1.614 -1.348) 2.123 4.200 ( -0.879 -0.605 0.524) 1.189 4.200 ( -0.879 0.605 0.524) 1.189 6.585 ( -0.440 -0.682 0.163) 0.828 6.585 ( -0.440 0.682 0.163) 0.828 6.656 ( -0.510 -0.128 -0.042) 0.527 6.656 ( -0.510 0.128 -0.042) 0.527 7.034 ( -0.150 -0.702 -0.095) 0.724 7.034 ( -0.150 0.702 -0.095) 0.724 7.094 ( 0.225 -0.167 -0.003) 0.280 7.094 ( 0.225 0.167 -0.003) 0.280 7.116 ( 0.276 -0.765 0.677) 1.058 7.116 ( 0.276 0.765 0.677) 1.058 7.189 ( -0.692 -0.887 -0.528) 1.243 7.189 ( -0.692 0.887 -0.528) 1.243 7.884 ( -2.463 -0.632 -0.017) 2.543 7.884 ( -2.463 0.632 -0.017) 2.543 7.946 ( -1.625 -1.426 0.141) 2.167 7.946 ( -1.625 1.426 0.141) 2.167 8.111 ( -1.252 -0.499 0.495) 1.436 8.111 ( -1.252 0.499 0.495) 1.436 8.175 ( -0.716 -0.873 0.415) 1.203 8.175 ( -0.716 0.873 0.415) 1.203 8.688 ( -0.463 -1.062 -0.292) 1.195 8.688 ( -0.463 1.062 -0.292) 1.195 8.750 ( -0.382 -0.251 0.481) 0.663 8.750 ( -0.382 0.251 0.481) 0.663 9.068 ( 1.604 -0.678 0.066) 1.743 9.068 ( 1.604 0.678 0.066) 1.743 9.112 ( 1.175 -0.509 -0.115) 1.285 9.112 ( 1.175 0.509 -0.115) 1.285 9.631 ( 0.293 -0.215 0.460) 0.586 9.631 ( 0.293 0.215 0.460) 0.586 9.674 ( 0.754 -0.591 -0.274) 0.997 9.674 ( 0.754 0.591 -0.274) 0.997 11.422 ( -0.397 -0.078 0.020) 0.405 11.422 ( -0.397 0.078 0.020) 0.405 11.459 ( -0.300 -0.651 0.042) 0.718 11.459 ( -0.300 0.651 0.042) 0.718 12.272 ( 0.227 -0.712 0.051) 0.749 12.272 ( 0.227 0.712 0.051) 0.749 12.311 ( 0.442 -0.270 0.409) 0.660 12.311 ( 0.442 0.270 0.409) 0.660 12.518 ( 0.426 -0.466 -0.346) 0.719 12.518 ( 0.426 0.466 -0.346) 0.719 12.542 ( 0.801 -0.068 0.116) 0.812 12.542 ( 0.801 0.068 0.116) 0.812 12.668 ( -0.475 -0.241 -0.855) 1.007 12.668 ( -0.475 0.241 -0.855) 1.007 12.698 ( 0.763 -0.119 1.004) 1.267 12.698 ( 0.763 0.119 1.004) 1.267 13.101 ( 0.938 -0.498 -0.515) 1.180 13.101 ( 0.938 0.498 -0.515) 1.180 13.155 ( 1.542 -0.632 0.474) 1.733 13.155 ( 1.542 0.632 0.474) 1.733 13.383 ( 0.432 -0.102 -0.571) 0.723 13.383 ( 0.432 0.102 -0.571) 0.723 13.414 ( 1.124 -0.303 0.416) 1.237 13.414 ( 1.124 0.303 0.416) 1.237 13.528 ( -1.678 -0.085 -0.390) 1.725 13.528 ( -1.678 0.085 -0.390) 1.725 13.547 ( -1.039 -0.215 0.428) 1.144 13.547 ( -1.039 0.215 0.428) 1.144 ======================= Grid point 26 (15/69) ======================= q-point: ( 0.44 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.068 -1.458 0.260) 1.482 1.006 ( -0.068 1.458 0.260) 1.482 1.278 ( 0.962 -1.722 -1.053) 2.237 1.278 ( 0.962 1.722 -1.053) 2.237 1.406 ( 2.445 -1.521 -1.448) 3.223 1.406 ( 2.445 1.521 -1.448) 3.223 1.573 ( 0.246 -6.277 2.655) 6.820 1.573 ( 0.246 6.277 2.655) 6.820 1.622 ( 4.085 -2.821 -1.145) 5.094 1.622 ( 4.085 2.821 -1.145) 5.094 1.729 ( 1.901 -3.032 -1.002) 3.716 1.729 ( 1.901 3.032 -1.002) 3.716 1.866 ( -2.465 -2.660 -0.553) 3.668 1.866 ( -2.465 2.660 -0.553) 3.668 1.920 ( -2.079 -3.345 -0.129) 3.940 1.920 ( -2.079 3.345 -0.129) 3.940 2.079 ( -1.520 -3.241 -1.032) 3.725 2.079 ( -1.520 3.241 -1.032) 3.725 2.195 ( -0.714 -3.784 0.328) 3.865 2.195 ( -0.714 3.784 0.328) 3.865 2.369 ( -0.960 -2.455 2.473) 3.615 2.369 ( -0.960 2.455 2.473) 3.615 2.420 ( -0.743 -0.596 -2.804) 2.961 2.420 ( -0.743 0.596 -2.804) 2.961 2.705 ( 0.901 -7.950 -0.069) 8.001 2.705 ( 0.901 7.950 -0.069) 8.001 2.806 ( 0.677 -1.315 0.600) 1.596 2.806 ( 0.677 1.315 0.600) 1.596 2.929 ( 1.913 -0.209 0.904) 2.127 2.929 ( 1.913 0.209 0.904) 2.127 2.976 ( -3.067 -3.408 0.434) 4.605 2.976 ( -3.067 3.408 0.434) 4.605 3.080 ( 2.191 -1.182 1.776) 3.058 3.080 ( 2.191 1.182 1.776) 3.058 3.264 ( 1.396 -4.996 1.260) 5.338 3.264 ( 1.396 4.996 1.260) 5.338 3.378 ( -2.356 -0.368 -1.365) 2.748 3.378 ( -2.356 0.368 -1.365) 2.748 4.138 ( -0.131 -1.448 -0.537) 1.549 4.138 ( -0.131 1.448 -0.537) 1.549 4.194 ( -0.290 -0.218 0.156) 0.395 4.194 ( -0.290 0.218 0.156) 0.395 6.582 ( -0.154 -0.526 0.138) 0.565 6.582 ( -0.154 0.526 0.138) 0.565 6.648 ( -0.249 -0.498 -0.111) 0.567 6.648 ( -0.249 0.498 -0.111) 0.567 7.026 ( -0.302 -0.684 -0.213) 0.777 7.026 ( -0.302 0.684 -0.213) 0.777 7.097 ( 0.056 -0.376 0.030) 0.381 7.097 ( 0.056 0.376 0.030) 0.381 7.128 ( 0.264 -1.395 0.265) 1.445 7.128 ( 0.264 1.395 0.265) 1.445 7.178 ( -0.158 -0.235 -0.103) 0.301 7.178 ( -0.158 0.235 -0.103) 0.301 7.845 ( -1.369 -0.797 -0.126) 1.588 7.845 ( -1.369 0.797 -0.126) 1.588 7.923 ( -0.897 -2.285 0.108) 2.457 7.923 ( -0.897 2.285 0.108) 2.457 8.104 ( -0.257 -0.323 0.268) 0.492 8.104 ( -0.257 0.323 0.268) 0.492 8.176 ( 0.061 -0.799 0.242) 0.837 8.176 ( 0.061 0.799 0.242) 0.837 8.680 ( -0.202 -1.181 -0.135) 1.205 8.680 ( -0.202 1.181 -0.135) 1.205 8.749 ( -0.153 -0.181 0.180) 0.298 8.749 ( -0.153 0.181 0.180) 0.298 9.089 ( 0.681 -0.398 0.075) 0.792 9.089 ( 0.681 0.398 0.075) 0.792 9.125 ( 0.403 -0.311 -0.090) 0.517 9.125 ( 0.403 0.311 -0.090) 0.517 9.639 ( 0.115 -0.100 0.177) 0.234 9.639 ( 0.115 0.100 0.177) 0.234 9.682 ( 0.335 -0.778 -0.045) 0.848 9.682 ( 0.335 0.778 -0.045) 0.848 11.418 ( -0.157 -0.150 0.013) 0.218 11.418 ( -0.157 0.150 0.013) 0.218 11.456 ( -0.121 -0.538 0.017) 0.551 11.456 ( -0.121 0.538 0.017) 0.551 12.275 ( 0.073 -0.908 0.027) 0.911 12.275 ( 0.073 0.908 0.027) 0.911 12.321 ( 0.203 -0.211 0.192) 0.350 12.321 ( 0.203 0.211 0.192) 0.350 12.520 ( 0.141 -0.653 -0.165) 0.688 12.520 ( 0.141 0.653 -0.165) 0.688 12.551 ( 0.261 -0.096 0.001) 0.278 12.551 ( 0.261 0.096 0.001) 0.278 12.654 ( -0.172 -0.221 -0.353) 0.451 12.654 ( -0.172 0.221 -0.353) 0.451 12.717 ( 0.346 -0.035 0.468) 0.583 12.717 ( 0.346 0.035 0.468) 0.583 13.108 ( 0.347 -0.536 -0.251) 0.686 13.108 ( 0.347 0.536 -0.251) 0.686 13.178 ( 0.607 -0.511 0.207) 0.820 13.178 ( 0.607 0.511 0.207) 0.820 13.379 ( 0.011 -0.436 -0.414) 0.601 13.379 ( 0.011 0.436 -0.414) 0.601 13.440 ( 0.983 -0.669 0.340) 1.237 13.440 ( 0.983 0.669 0.340) 1.237 13.503 ( -0.845 -0.030 -0.104) 0.852 13.503 ( -0.845 0.030 -0.104) 0.852 13.534 ( -0.595 -0.057 0.116) 0.609 13.534 ( -0.595 0.057 0.116) 0.609 ======================= Grid point 45 (16/69) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 7.616 0.000 17.876) 19.431 0.413 ( 2.313 0.000 19.004) 19.144 0.547 ( -0.627 0.000 27.527) 27.534 1.162 ( -1.581 0.000 -7.439) 7.605 1.171 ( 0.104 0.000 -0.361) 0.375 1.224 ( 1.246 0.000 -6.955) 7.065 1.481 ( -1.791 0.000 0.941) 2.023 1.535 ( -1.491 0.000 -9.961) 10.072 1.636 ( 1.251 0.000 1.022) 1.616 1.677 ( 5.319 0.000 -1.778) 5.609 1.683 ( -1.791 0.000 -3.381) 3.826 1.802 ( 2.232 0.000 -7.213) 7.550 1.863 ( -5.071 0.000 1.946) 5.432 1.936 ( -2.868 0.000 5.610) 6.301 1.955 ( 5.994 0.000 6.172) 8.603 2.024 ( -0.095 0.000 -5.746) 5.746 2.069 ( -0.263 0.000 -4.339) 4.347 2.181 ( 5.646 0.000 4.550) 7.251 2.191 ( -1.391 0.000 -2.238) 2.635 2.289 ( -1.596 0.000 5.233) 5.471 2.406 ( 1.589 0.000 4.337) 4.619 2.440 ( 1.422 0.000 1.263) 1.902 2.478 ( -2.481 0.000 -6.636) 7.085 2.529 ( 2.850 0.000 -3.010) 4.145 2.556 ( 0.670 0.000 -5.206) 5.249 2.594 ( 2.462 0.000 -4.711) 5.315 2.631 ( -1.983 0.000 1.013) 2.226 2.636 ( -1.467 0.000 1.025) 1.790 2.779 ( -2.510 0.000 4.940) 5.541 2.859 ( 2.201 0.000 0.410) 2.238 2.945 ( 0.476 0.000 4.868) 4.891 2.993 ( 2.956 0.000 4.250) 5.177 3.188 ( -9.534 0.000 1.711) 9.687 3.200 ( 0.000 0.000 7.244) 7.244 3.348 ( -1.943 0.000 -1.878) 2.703 3.408 ( -0.280 0.000 -1.888) 1.908 3.478 ( 1.533 0.000 1.782) 2.351 3.529 ( -0.606 0.000 -0.807) 1.010 4.151 ( -0.260 0.000 -0.662) 0.712 4.175 ( 0.523 0.000 -0.711) 0.883 4.241 ( -0.308 0.000 0.980) 1.027 4.280 ( -0.076 0.000 -0.550) 0.555 6.604 ( -0.383 0.000 -0.235) 0.449 6.633 ( 0.194 0.000 -0.853) 0.875 6.643 ( 0.296 0.000 0.777) 0.831 6.661 ( 0.270 0.000 0.461) 0.534 7.013 ( -0.500 0.000 0.272) 0.569 7.057 ( -0.926 0.000 -1.433) 1.706 7.063 ( 0.294 0.000 0.406) 0.501 7.097 ( -2.449 0.000 -0.201) 2.457 7.119 ( -0.143 0.000 0.918) 0.929 7.193 ( -0.238 0.000 -0.561) 0.609 7.208 ( 0.449 0.000 -0.151) 0.473 7.230 ( 1.628 0.000 -1.778) 2.411 7.897 ( -0.264 0.000 0.487) 0.554 7.909 ( 0.790 0.000 1.528) 1.720 7.966 ( 0.452 0.000 -1.319) 1.394 7.983 ( -0.383 0.000 -0.066) 0.388 8.207 ( 0.610 0.000 0.258) 0.662 8.220 ( -0.324 0.000 -0.127) 0.348 8.227 ( -0.625 0.000 0.971) 1.155 8.277 ( 0.024 0.000 -0.241) 0.243 8.712 ( -0.595 0.000 -0.299) 0.666 8.716 ( 0.412 0.000 -0.325) 0.525 8.747 ( 0.128 0.000 0.621) 0.635 8.760 ( 0.317 0.000 0.328) 0.456 8.995 ( -0.577 0.000 0.092) 0.584 9.019 ( 0.358 0.000 -0.530) 0.640 9.033 ( -0.286 0.000 0.629) 0.691 9.081 ( 0.314 0.000 -0.293) 0.430 9.609 ( 0.123 0.000 0.420) 0.438 9.612 ( -0.193 0.000 0.487) 0.523 9.649 ( 0.139 0.000 -0.263) 0.298 9.669 ( -0.884 0.000 -0.849) 1.225 11.437 ( 0.051 0.000 0.323) 0.327 11.442 ( 0.136 0.000 -0.373) 0.397 11.456 ( -0.524 0.000 0.140) 0.542 11.480 ( 0.232 0.000 0.178) 0.292 12.260 ( -0.258 0.000 0.468) 0.534 12.281 ( -0.127 0.000 -0.227) 0.260 12.289 ( 0.373 0.000 -0.407) 0.552 12.291 ( -2.521 0.000 -0.167) 2.526 12.482 ( 0.531 0.000 0.451) 0.697 12.491 ( 0.226 0.000 0.308) 0.382 12.505 ( -0.248 0.000 -0.097) 0.266 12.511 ( -0.247 0.000 0.094) 0.265 12.635 ( 0.205 0.000 0.608) 0.641 12.652 ( 0.320 0.000 0.979) 1.030 12.716 ( -0.244 0.000 -1.058) 1.086 12.723 ( -0.477 0.000 -0.643) 0.801 13.033 ( 0.392 0.000 1.033) 1.105 13.061 ( -0.465 0.000 0.097) 0.475 13.093 ( 0.510 0.000 -0.446) 0.678 13.101 ( -0.472 0.000 -0.287) 0.552 13.335 ( 0.159 0.000 0.866) 0.881 13.368 ( 0.138 0.000 0.280) 0.312 13.381 ( 0.054 0.000 -0.448) 0.451 13.412 ( -0.314 0.000 -0.430) 0.532 13.546 ( 0.487 0.000 0.932) 1.052 13.586 ( 0.045 0.000 -0.150) 0.157 13.592 ( 0.031 0.000 -0.433) 0.434 13.624 ( -0.433 0.000 -0.687) 0.812 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 6.762 0.000 17.595) 18.850 0.780 ( 15.284 0.000 12.117) 19.504 0.994 ( 9.693 0.000 14.409) 17.366 1.129 ( 7.464 0.000 -6.836) 10.121 1.191 ( 5.797 0.000 -5.080) 7.708 1.272 ( 14.217 0.000 1.125) 14.262 1.297 ( -7.270 0.000 -10.092) 12.438 1.509 ( 0.739 0.000 -2.176) 2.298 1.554 ( -5.900 0.000 -1.302) 6.042 1.653 ( -1.958 0.000 0.888) 2.150 1.673 ( 0.570 0.000 -5.346) 5.376 1.767 ( -5.662 0.000 -1.245) 5.798 1.817 ( 2.050 0.000 -6.282) 6.608 1.896 ( -0.799 0.000 -2.449) 2.576 2.002 ( 2.532 0.000 -0.938) 2.700 2.020 ( -4.387 0.000 0.442) 4.409 2.053 ( 0.601 0.000 4.298) 4.340 2.111 ( -1.980 0.000 1.230) 2.331 2.306 ( -0.753 0.000 2.985) 3.079 2.336 ( -1.931 0.000 -9.410) 9.606 2.379 ( 7.584 0.000 2.208) 7.899 2.453 ( -3.062 0.000 1.578) 3.445 2.486 ( 3.547 0.000 -1.346) 3.794 2.519 ( -4.332 0.000 0.095) 4.333 2.524 ( -2.489 0.000 1.731) 3.032 2.597 ( 3.732 0.000 -3.868) 5.375 2.632 ( 0.739 0.000 -0.002) 0.739 2.648 ( 4.668 0.000 0.872) 4.748 2.801 ( 0.315 0.000 3.792) 3.805 2.929 ( 3.368 0.000 0.997) 3.513 2.979 ( -4.207 0.000 1.997) 4.657 3.006 ( -0.275 0.000 5.223) 5.230 3.152 ( -4.381 0.000 5.174) 6.780 3.236 ( -2.883 0.000 3.302) 4.383 3.301 ( -1.513 0.000 -0.208) 1.527 3.382 ( -0.054 0.000 -1.119) 1.121 3.467 ( -4.912 0.000 -1.717) 5.204 3.518 ( 0.731 0.000 0.036) 0.732 4.137 ( -0.549 0.000 -0.683) 0.876 4.174 ( 0.288 0.000 -0.594) 0.660 4.240 ( -1.009 0.000 0.702) 1.229 4.267 ( -0.790 0.000 -0.405) 0.888 6.593 ( -0.732 0.000 -0.009) 0.732 6.627 ( -0.013 0.000 -0.617) 0.617 6.654 ( 0.020 0.000 0.678) 0.679 6.665 ( -0.142 0.000 -0.012) 0.142 7.010 ( -0.166 0.000 0.405) 0.437 7.036 ( -0.001 0.000 -0.075) 0.075 7.083 ( 1.031 0.000 1.001) 1.436 7.093 ( 1.107 0.000 -0.127) 1.115 7.110 ( -1.539 0.000 0.159) 1.547 7.173 ( -2.624 0.000 -0.743) 2.728 7.183 ( -0.581 0.000 -0.030) 0.582 7.227 ( 0.165 0.000 -1.091) 1.103 7.903 ( 0.149 0.000 0.686) 0.702 7.945 ( 0.804 0.000 1.843) 2.011 7.950 ( -0.227 0.000 -1.608) 1.624 7.978 ( 0.107 0.000 -0.466) 0.478 8.193 ( -2.271 0.000 -0.284) 2.289 8.194 ( -2.268 0.000 0.353) 2.295 8.215 ( -2.198 0.000 1.205) 2.507 8.257 ( -1.825 0.000 -0.228) 1.839 8.695 ( -0.899 0.000 -0.254) 0.934 8.719 ( 0.226 0.000 -0.133) 0.262 8.754 ( -0.133 0.000 0.617) 0.631 8.764 ( -0.164 0.000 0.042) 0.169 8.996 ( 0.656 0.000 0.026) 0.657 9.031 ( 1.585 0.000 -0.298) 1.612 9.045 ( 0.716 0.000 0.605) 0.938 9.089 ( 1.002 0.000 -0.386) 1.074 9.618 ( 0.126 0.000 0.580) 0.593 9.622 ( 0.497 0.000 0.795) 0.937 9.649 ( -0.221 0.000 -1.056) 1.079 9.654 ( 0.725 0.000 -0.189) 0.749 11.437 ( -0.273 0.000 -0.039) 0.276 11.441 ( 0.007 0.000 -0.059) 0.059 11.447 ( -0.721 0.000 0.383) 0.816 11.483 ( -0.068 0.000 -0.018) 0.071 12.260 ( -0.266 0.000 0.402) 0.482 12.266 ( -0.209 0.000 0.230) 0.311 12.290 ( 0.405 0.000 0.101) 0.418 12.296 ( 0.723 0.000 -0.057) 0.725 12.501 ( 0.075 0.000 -0.371) 0.379 12.504 ( 1.157 0.000 0.470) 1.249 12.507 ( 0.848 0.000 0.542) 1.007 12.510 ( 0.302 0.000 -0.255) 0.395 12.654 ( 0.787 0.000 1.230) 1.460 12.675 ( 0.581 0.000 1.458) 1.570 12.693 ( -0.591 0.000 -1.569) 1.677 12.700 ( -0.913 0.000 -1.047) 1.389 13.063 ( 0.496 0.000 -0.025) 0.496 13.065 ( 1.555 0.000 1.482) 2.149 13.093 ( 0.292 0.000 -0.861) 0.909 13.107 ( 1.561 0.000 -0.312) 1.591 13.353 ( 0.611 0.000 0.953) 1.132 13.377 ( 0.242 0.000 -0.753) 0.791 13.379 ( 0.559 0.000 0.637) 0.847 13.402 ( -0.114 0.000 -0.612) 0.622 13.566 ( 0.122 0.000 1.364) 1.370 13.578 ( -0.742 0.000 -0.115) 0.751 13.579 ( -0.886 0.000 -0.353) 0.953 13.595 ( -1.546 0.000 -1.216) 1.967 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 3.382 0.000 9.033) 9.645 1.044 ( 6.243 0.000 -12.439) 13.918 1.126 ( -0.660 0.000 8.733) 8.757 1.146 ( 0.767 0.000 4.042) 4.114 1.253 ( 10.897 0.000 -1.839) 11.052 1.296 ( 11.255 0.000 -5.576) 12.560 1.460 ( -2.617 0.000 0.847) 2.751 1.463 ( 1.022 0.000 -1.019) 1.443 1.572 ( 5.598 0.000 -0.162) 5.600 1.644 ( -4.360 0.000 -6.471) 7.803 1.669 ( 0.479 0.000 -0.707) 0.854 1.721 ( 6.522 0.000 4.798) 8.097 1.729 ( -0.206 0.000 1.282) 1.299 1.876 ( 0.672 0.000 -0.679) 0.955 1.924 ( 1.435 0.000 -7.076) 7.220 2.029 ( -0.762 0.000 -0.114) 0.771 2.144 ( 5.096 0.000 5.393) 7.419 2.195 ( 2.391 0.000 4.050) 4.703 2.218 ( -0.250 0.000 -7.238) 7.242 2.232 ( -5.429 0.000 -2.689) 6.058 2.366 ( -6.485 0.000 1.590) 6.677 2.395 ( -5.924 0.000 -4.245) 7.287 2.426 ( -2.053 0.000 1.998) 2.865 2.532 ( -0.910 0.000 -1.351) 1.629 2.621 ( 8.205 0.000 3.406) 8.884 2.635 ( -6.177 0.000 -0.451) 6.193 2.657 ( 4.986 0.000 2.338) 5.506 2.687 ( 5.794 0.000 -1.975) 6.121 2.892 ( 4.736 0.000 1.608) 5.001 2.947 ( -0.716 0.000 1.864) 1.996 2.965 ( 0.529 0.000 -1.285) 1.389 3.033 ( -2.748 0.000 4.053) 4.896 3.121 ( -4.509 0.000 4.038) 6.053 3.196 ( -2.993 0.000 -0.280) 3.006 3.295 ( -0.937 0.000 2.336) 2.516 3.326 ( -7.033 0.000 -2.689) 7.530 3.395 ( 0.261 0.000 1.252) 1.279 3.498 ( -1.975 0.000 -1.477) 2.467 4.119 ( -0.699 0.000 -0.446) 0.830 4.174 ( 0.391 0.000 -0.461) 0.605 4.222 ( -1.610 0.000 0.455) 1.673 4.246 ( -1.241 0.000 -0.127) 1.247 6.583 ( -0.651 0.000 0.460) 0.797 6.617 ( -0.432 0.000 -0.456) 0.628 6.655 ( -0.585 0.000 -0.651) 0.875 6.659 ( -0.064 0.000 0.258) 0.266 7.018 ( 0.376 0.000 0.553) 0.668 7.047 ( 1.195 0.000 -0.233) 1.218 7.073 ( -2.163 0.000 -0.517) 2.224 7.117 ( 1.141 0.000 -0.255) 1.169 7.120 ( 1.162 0.000 1.656) 2.023 7.127 ( -1.431 0.000 0.017) 1.431 7.169 ( -1.046 0.000 0.033) 1.047 7.207 ( -0.622 0.000 -1.510) 1.634 7.906 ( -1.097 0.000 0.701) 1.301 7.924 ( -1.284 0.000 -1.046) 1.656 7.956 ( -1.708 0.000 0.679) 1.838 7.977 ( 0.651 0.000 -0.800) 1.032 8.152 ( -2.932 0.000 0.798) 3.039 8.155 ( -1.317 0.000 0.087) 1.320 8.178 ( -3.200 0.000 0.704) 3.277 8.221 ( -1.796 0.000 0.075) 1.798 8.678 ( -0.929 0.000 -0.031) 0.929 8.720 ( 0.027 0.000 -0.026) 0.037 8.754 ( -0.417 0.000 0.231) 0.477 8.756 ( -0.427 0.000 -0.313) 0.530 9.019 ( 1.717 0.000 0.254) 1.736 9.063 ( 2.128 0.000 -0.096) 2.130 9.068 ( 1.183 0.000 0.485) 1.278 9.104 ( 1.220 0.000 -0.548) 1.338 9.629 ( 0.324 0.000 0.577) 0.662 9.638 ( 0.229 0.000 -0.799) 0.831 9.640 ( 0.570 0.000 0.630) 0.849 9.670 ( 1.084 0.000 0.196) 1.101 11.428 ( -0.456 0.000 -0.354) 0.577 11.441 ( -0.064 0.000 0.083) 0.105 11.441 ( -0.774 0.000 0.689) 1.036 11.478 ( -0.311 0.000 -0.178) 0.358 12.259 ( -0.272 0.000 0.272) 0.385 12.274 ( 0.703 0.000 0.171) 0.723 12.299 ( 0.619 0.000 -0.042) 0.620 12.310 ( 0.619 0.000 0.232) 0.661 12.498 ( 0.251 0.000 -0.534) 0.590 12.518 ( 1.021 0.000 -0.251) 1.052 12.526 ( 0.729 0.000 0.391) 0.828 12.527 ( 0.984 0.000 0.197) 1.003 12.666 ( -0.585 0.000 -1.165) 1.304 12.674 ( -0.604 0.000 -1.037) 1.200 12.685 ( 0.957 0.000 1.359) 1.662 12.701 ( 0.539 0.000 1.409) 1.509 13.075 ( 0.799 0.000 -0.110) 0.806 13.094 ( 1.026 0.000 -0.848) 1.331 13.111 ( 1.852 0.000 1.148) 2.179 13.137 ( 2.108 0.000 -0.128) 2.112 13.370 ( 0.103 0.000 -0.997) 1.003 13.373 ( 0.822 0.000 0.487) 0.956 13.396 ( 0.214 0.000 -0.704) 0.735 13.404 ( 1.230 0.000 1.063) 1.626 13.551 ( -1.820 0.000 -1.087) 2.120 13.558 ( -1.442 0.000 -0.106) 1.446 13.559 ( -1.075 0.000 -0.028) 1.075 13.575 ( -0.761 0.000 1.036) 1.286 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -1.079 0.000 1.128) 1.561 0.999 ( 6.711 0.000 -9.208) 11.394 1.185 ( -1.163 0.000 2.695) 2.935 1.245 ( -0.916 0.000 9.974) 10.016 1.317 ( -1.122 0.000 -2.705) 2.928 1.321 ( -3.676 0.000 0.238) 3.683 1.505 ( 5.574 0.000 -2.259) 6.015 1.509 ( 5.969 0.000 -0.900) 6.036 1.613 ( 7.308 0.000 0.031) 7.308 1.648 ( 1.248 0.000 1.902) 2.275 1.707 ( 7.184 0.000 4.725) 8.598 1.799 ( 0.086 0.000 4.599) 4.600 1.861 ( 0.530 0.000 -2.558) 2.613 1.878 ( 3.331 0.000 0.755) 3.415 1.906 ( -0.522 0.000 -2.615) 2.667 1.908 ( -5.135 0.000 -3.746) 6.356 2.159 ( 5.470 0.000 -6.741) 8.681 2.169 ( -1.331 0.000 1.533) 2.030 2.239 ( -0.810 0.000 -0.991) 1.280 2.255 ( -2.218 0.000 -0.697) 2.325 2.266 ( -7.500 0.000 -0.887) 7.552 2.290 ( 0.541 0.000 -2.007) 2.079 2.462 ( 3.197 0.000 4.234) 5.305 2.498 ( -1.583 0.000 -0.405) 1.634 2.512 ( -4.345 0.000 1.129) 4.489 2.737 ( 5.991 0.000 -4.099) 7.259 2.743 ( 3.268 0.000 0.024) 3.269 2.799 ( 4.389 0.000 3.879) 5.857 2.932 ( -1.142 0.000 -1.273) 1.710 2.968 ( -0.398 0.000 3.346) 3.369 2.972 ( -7.121 0.000 -2.106) 7.425 3.003 ( 5.414 0.000 0.510) 5.438 3.090 ( -1.528 0.000 0.306) 1.559 3.136 ( -2.901 0.000 -1.596) 3.311 3.190 ( -5.439 0.000 -0.042) 5.439 3.312 ( -0.099 0.000 2.012) 2.015 3.424 ( 1.212 0.000 1.161) 1.678 3.428 ( -3.515 0.000 -1.965) 4.027 4.107 ( -0.329 0.000 0.078) 0.338 4.177 ( 0.502 0.000 -0.299) 0.584 4.201 ( -1.509 0.000 0.813) 1.714 4.224 ( -1.231 0.000 0.107) 1.235 6.580 ( -0.532 0.000 0.857) 1.008 6.603 ( -0.558 0.000 -0.482) 0.737 6.636 ( -0.462 0.000 -0.693) 0.833 6.658 ( -0.004 0.000 -0.336) 0.336 7.024 ( -1.019 0.000 -0.464) 1.120 7.041 ( 0.277 0.000 0.273) 0.389 7.062 ( 0.920 0.000 -0.853) 1.254 7.100 ( -0.748 0.000 0.045) 0.749 7.135 ( -1.347 0.000 0.658) 1.499 7.145 ( 1.290 0.000 -0.585) 1.416 7.168 ( 0.526 0.000 0.919) 1.059 7.183 ( -0.478 0.000 -0.508) 0.698 7.878 ( -2.727 0.000 0.474) 2.768 7.882 ( -2.095 0.000 -0.812) 2.247 7.909 ( -3.212 0.000 -0.138) 3.215 7.979 ( 0.340 0.000 -0.642) 0.727 8.122 ( -1.631 0.000 0.977) 1.901 8.129 ( -2.677 0.000 0.109) 2.680 8.153 ( 0.406 0.000 0.194) 0.450 8.202 ( -0.542 0.000 -0.220) 0.585 8.663 ( -0.753 0.000 0.116) 0.762 8.719 ( -0.097 0.000 0.055) 0.111 8.745 ( -0.380 0.000 -0.369) 0.529 8.746 ( -0.345 0.000 -0.379) 0.512 9.055 ( 1.864 0.000 0.469) 1.922 9.091 ( 0.826 0.000 0.307) 0.881 9.095 ( 1.690 0.000 -0.225) 1.705 9.118 ( 1.057 0.000 -0.433) 1.142 9.633 ( 0.369 0.000 -0.635) 0.735 9.645 ( 0.301 0.000 0.762) 0.819 9.652 ( 0.411 0.000 -0.106) 0.425 9.691 ( 0.804 0.000 0.497) 0.945 11.417 ( -0.369 0.000 -0.147) 0.397 11.435 ( -0.694 0.000 0.548) 0.884 11.438 ( -0.113 0.000 -0.291) 0.312 11.471 ( -0.312 0.000 0.023) 0.313 12.257 ( -0.232 0.000 0.112) 0.258 12.289 ( 0.786 0.000 0.132) 0.797 12.307 ( 0.538 0.000 -0.404) 0.672 12.319 ( 0.252 0.000 0.065) 0.260 12.500 ( 0.362 0.000 -0.165) 0.398 12.536 ( 1.159 0.000 -0.091) 1.163 12.536 ( 0.305 0.000 -0.026) 0.306 12.543 ( 0.587 0.000 0.087) 0.593 12.651 ( -0.212 0.000 -0.229) 0.312 12.658 ( -0.146 0.000 -0.640) 0.656 12.710 ( 0.513 0.000 0.674) 0.847 12.721 ( 0.185 0.000 0.833) 0.853 13.086 ( 0.797 0.000 -0.302) 0.853 13.109 ( 1.190 0.000 0.006) 1.190 13.148 ( 1.346 0.000 0.317) 1.383 13.170 ( 1.638 0.000 -0.041) 1.639 13.364 ( 0.255 0.000 -0.416) 0.488 13.391 ( 0.209 0.000 -0.705) 0.735 13.396 ( 1.301 0.000 0.310) 1.337 13.438 ( 1.341 0.000 0.779) 1.551 13.515 ( -1.196 0.000 -0.524) 1.305 13.529 ( -1.743 0.000 -0.038) 1.744 13.544 ( -0.777 0.000 0.129) 0.787 13.561 ( -1.594 0.000 0.207) 1.607 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.000 0.000 1.006) 1.006 1.045 ( 2.963 0.000 0.202) 2.970 1.187 ( 3.292 0.000 1.305) 3.542 1.234 ( -4.062 0.000 3.411) 5.304 1.335 ( 0.261 0.000 1.340) 1.366 1.338 ( -0.815 0.000 3.719) 3.808 1.524 ( -2.480 0.000 -1.845) 3.091 1.590 ( 5.682 0.000 0.038) 5.682 1.675 ( -1.920 0.000 -2.149) 2.882 1.714 ( 1.352 0.000 4.649) 4.842 1.750 ( -2.811 0.000 -0.038) 2.811 1.855 ( 1.181 0.000 3.574) 3.764 1.871 ( 1.355 0.000 0.820) 1.584 1.880 ( 5.752 0.000 2.836) 6.413 1.903 ( 0.925 0.000 1.280) 1.579 1.978 ( 2.808 0.000 2.096) 3.504 2.079 ( -8.728 0.000 -0.737) 8.759 2.115 ( -0.656 0.000 -1.654) 1.779 2.178 ( 2.629 0.000 -4.823) 5.493 2.262 ( 2.318 0.000 -0.340) 2.343 2.287 ( 5.695 0.000 0.561) 5.722 2.333 ( 5.405 0.000 -0.794) 5.463 2.395 ( -6.512 0.000 0.827) 6.564 2.457 ( -3.747 0.000 0.470) 3.777 2.561 ( -0.063 0.000 -1.286) 1.287 2.750 ( -4.359 0.000 -6.106) 7.502 2.781 ( 2.694 0.000 -1.603) 3.135 2.813 ( 1.201 0.000 -2.229) 2.532 2.883 ( 4.540 0.000 -3.388) 5.665 2.937 ( -4.946 0.000 0.304) 4.956 2.938 ( 0.854 0.000 0.335) 0.917 3.037 ( -0.871 0.000 -2.516) 2.663 3.053 ( -3.432 0.000 -0.774) 3.519 3.115 ( 2.836 0.000 -1.747) 3.331 3.145 ( -1.773 0.000 1.926) 2.617 3.338 ( 1.323 0.000 1.804) 2.237 3.355 ( -2.357 0.000 -0.717) 2.464 3.452 ( 0.294 0.000 0.972) 1.016 4.109 ( 0.048 0.000 0.643) 0.645 4.187 ( 0.791 0.000 0.080) 0.795 4.193 ( -0.797 0.000 1.375) 1.589 4.205 ( -1.047 0.000 0.017) 1.047 6.580 ( -0.655 0.000 0.750) 0.996 6.590 ( -0.064 0.000 -0.650) 0.654 6.630 ( 0.243 0.000 -0.031) 0.245 6.652 ( 0.083 0.000 -0.822) 0.826 7.006 ( 0.060 0.000 -0.456) 0.460 7.059 ( 0.503 0.000 -1.423) 1.510 7.061 ( 0.531 0.000 1.035) 1.163 7.094 ( -0.233 0.000 0.021) 0.234 7.115 ( -1.257 0.000 0.289) 1.290 7.149 ( 0.763 0.000 -1.210) 1.431 7.177 ( -0.434 0.000 0.327) 0.543 7.186 ( 0.246 0.000 0.838) 0.873 7.837 ( -1.703 0.000 -0.064) 1.704 7.847 ( -0.767 0.000 -0.552) 0.945 7.872 ( -1.083 0.000 0.704) 1.292 7.970 ( -0.319 0.000 -0.832) 0.891 8.092 ( -0.992 0.000 -0.636) 1.179 8.120 ( -0.454 0.000 1.314) 1.390 8.156 ( -0.008 0.000 -0.748) 0.748 8.191 ( -0.033 0.000 -0.954) 0.955 8.656 ( -0.319 0.000 0.289) 0.430 8.718 ( -0.090 0.000 0.041) 0.099 8.734 ( -0.099 0.000 -0.842) 0.848 8.740 ( 0.087 0.000 -0.263) 0.277 9.086 ( 0.704 0.000 0.536) 0.884 9.101 ( 0.117 0.000 0.233) 0.260 9.112 ( 0.723 0.000 -0.541) 0.903 9.131 ( 0.585 0.000 -0.023) 0.586 9.632 ( 0.173 0.000 -0.580) 0.605 9.652 ( 0.099 0.000 -0.666) 0.673 9.658 ( 0.085 0.000 0.953) 0.956 9.704 ( 0.085 0.000 0.248) 0.263 11.413 ( -0.093 0.000 0.014) 0.094 11.430 ( -0.455 0.000 0.505) 0.679 11.432 ( 0.010 0.000 -0.670) 0.670 11.469 ( -0.123 0.000 0.178) 0.216 12.254 ( -0.147 0.000 0.032) 0.150 12.300 ( 0.260 0.000 -0.067) 0.268 12.308 ( 0.307 0.000 -0.739) 0.800 12.320 ( 0.043 0.000 -0.243) 0.247 12.507 ( 0.294 0.000 0.406) 0.501 12.538 ( 0.117 0.000 -0.180) 0.215 12.550 ( 0.171 0.000 0.158) 0.233 12.552 ( 0.545 0.000 0.036) 0.546 12.650 ( 0.046 0.000 0.275) 0.279 12.659 ( 0.421 0.000 0.331) 0.535 12.715 ( -0.200 0.000 -0.329) 0.385 12.723 ( -0.475 0.000 -0.084) 0.482 13.097 ( 0.547 0.000 0.132) 0.563 13.130 ( 0.600 0.000 0.668) 0.898 13.162 ( 0.277 0.000 -0.395) 0.482 13.188 ( 0.568 0.000 -0.264) 0.626 13.372 ( 0.483 0.000 0.636) 0.799 13.392 ( 0.528 0.000 -0.162) 0.552 13.419 ( 0.715 0.000 0.007) 0.715 13.458 ( 0.181 0.000 -0.056) 0.190 13.500 ( -0.231 0.000 0.053) 0.236 13.504 ( -0.938 0.000 -0.001) 0.938 13.533 ( -0.449 0.000 -0.242) 0.510 13.534 ( -0.978 0.000 -0.245) 1.008 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -1.209 0.000 1.327) 1.795 1.093 ( -0.234 0.000 1.158) 1.181 1.212 ( -7.351 0.000 8.937) 11.572 1.306 ( 3.838 0.000 5.616) 6.802 1.341 ( 2.826 0.000 -3.087) 4.185 1.362 ( 2.339 0.000 4.044) 4.672 1.462 ( -1.707 0.000 -2.268) 2.838 1.609 ( 2.001 0.000 -1.027) 2.249 1.668 ( -5.974 0.000 -0.219) 5.978 1.695 ( 0.255 0.000 0.195) 0.321 1.762 ( -4.128 0.000 3.980) 5.734 1.857 ( -3.775 0.000 3.509) 5.154 1.887 ( -1.422 0.000 -0.086) 1.424 1.907 ( 0.868 0.000 -0.081) 0.871 1.946 ( -4.446 0.000 -0.361) 4.461 1.982 ( 4.397 0.000 5.095) 6.730 2.098 ( 5.247 0.000 0.205) 5.251 2.181 ( 4.975 0.000 -4.573) 6.758 2.219 ( 2.835 0.000 1.639) 3.275 2.303 ( -8.785 0.000 -3.371) 9.409 2.304 ( 5.782 0.000 -0.382) 5.794 2.319 ( -1.989 0.000 3.251) 3.812 2.407 ( 5.557 0.000 2.201) 5.977 2.432 ( 1.892 0.000 2.680) 3.281 2.459 ( -6.588 0.000 -4.587) 8.027 2.620 ( -0.933 0.000 -6.007) 6.079 2.785 ( 0.541 0.000 -3.245) 3.290 2.825 ( 0.139 0.000 -5.147) 5.149 2.840 ( -4.190 0.000 -1.805) 4.562 2.914 ( 2.227 0.000 1.774) 2.848 2.938 ( 3.829 0.000 -5.682) 6.852 2.949 ( -3.242 0.000 -5.609) 6.479 3.035 ( 0.800 0.000 0.177) 0.820 3.089 ( -1.811 0.000 -1.970) 2.676 3.185 ( 2.291 0.000 4.441) 4.997 3.317 ( -2.050 0.000 -0.123) 2.054 3.414 ( 3.881 0.000 2.024) 4.377 3.445 ( -1.780 0.000 -0.024) 1.781 4.122 ( 0.244 0.000 1.159) 1.185 4.184 ( -0.500 0.000 -0.894) 1.024 4.201 ( -0.134 0.000 1.287) 1.294 4.210 ( 0.921 0.000 0.886) 1.279 6.575 ( -0.480 0.000 0.300) 0.566 6.590 ( 0.781 0.000 -0.384) 0.871 6.641 ( 0.730 0.000 0.223) 0.763 6.644 ( 0.117 0.000 -0.906) 0.913 7.013 ( 0.809 0.000 -0.057) 0.811 7.052 ( 0.569 0.000 -1.737) 1.828 7.070 ( -0.975 0.000 1.174) 1.527 7.091 ( -0.040 0.000 0.368) 0.370 7.106 ( 0.162 0.000 -0.334) 0.371 7.147 ( 0.104 0.000 -0.847) 0.853 7.166 ( -0.743 0.000 0.284) 0.795 7.202 ( 0.692 0.000 0.528) 0.870 7.830 ( 1.100 0.000 -0.205) 1.119 7.851 ( 1.830 0.000 -0.361) 1.865 7.887 ( 1.337 0.000 1.204) 1.799 7.958 ( 0.533 0.000 -1.335) 1.437 8.081 ( 0.204 0.000 -0.160) 0.259 8.130 ( 0.062 0.000 1.033) 1.034 8.137 ( -0.369 0.000 -1.601) 1.643 8.180 ( 0.100 0.000 -0.937) 0.942 8.659 ( 0.217 0.000 0.508) 0.553 8.715 ( 0.095 0.000 -0.619) 0.626 8.727 ( 0.289 0.000 -0.513) 0.588 8.742 ( 0.402 0.000 -0.237) 0.467 9.083 ( -1.307 0.000 0.315) 1.344 9.105 ( -0.387 0.000 0.463) 0.603 9.111 ( -0.282 0.000 -0.295) 0.408 9.133 ( -0.244 0.000 -0.221) 0.329 9.626 ( -0.106 0.000 -0.420) 0.433 9.642 ( -0.251 0.000 -0.847) 0.883 9.669 ( -0.166 0.000 1.124) 1.136 9.700 ( -0.583 0.000 -0.084) 0.589 11.413 ( 0.141 0.000 -0.171) 0.221 11.427 ( 0.285 0.000 -0.610) 0.674 11.433 ( -0.064 0.000 0.825) 0.828 11.470 ( 0.096 0.000 -0.055) 0.111 12.253 ( -0.076 0.000 0.122) 0.143 12.294 ( -0.255 0.000 -0.688) 0.734 12.305 ( -0.050 0.000 -0.370) 0.373 12.316 ( -0.076 0.000 -0.365) 0.373 12.516 ( 0.020 0.000 0.625) 0.626 12.537 ( -0.107 0.000 -0.227) 0.251 12.550 ( -0.407 0.000 0.103) 0.420 12.554 ( -0.358 0.000 0.161) 0.392 12.662 ( 0.531 0.000 0.968) 1.104 12.675 ( 0.638 0.000 0.852) 1.065 12.699 ( -0.708 0.000 -0.935) 1.173 12.703 ( -1.090 0.000 -0.886) 1.405 13.105 ( -0.113 0.000 0.667) 0.677 13.142 ( -0.303 0.000 1.018) 1.062 13.148 ( -1.010 0.000 -0.974) 1.403 13.184 ( -0.559 0.000 -0.519) 0.763 13.392 ( 0.354 0.000 1.435) 1.478 13.405 ( 0.593 0.000 0.412) 0.722 13.407 ( -1.370 0.000 -0.519) 1.465 13.441 ( -1.527 0.000 -0.794) 1.721 13.505 ( 1.136 0.000 0.156) 1.147 13.507 ( 0.843 0.000 0.189) 0.863 13.527 ( 0.335 0.000 -0.362) 0.494 13.531 ( 0.680 0.000 -0.446) 0.814 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -10.622 0.000 0.523) 10.635 1.065 ( -3.180 0.000 -0.820) 3.285 1.211 ( -3.823 0.000 9.391) 10.139 1.329 ( -4.562 0.000 1.104) 4.693 1.357 ( 2.487 0.000 -5.133) 5.704 1.423 ( -1.243 0.000 1.945) 2.308 1.516 ( 1.741 0.000 -1.520) 2.311 1.603 ( 2.156 0.000 7.403) 7.711 1.657 ( -2.255 0.000 1.149) 2.531 1.663 ( -8.386 0.000 0.260) 8.390 1.690 ( 4.141 0.000 3.534) 5.444 1.795 ( -9.391 0.000 -2.948) 9.842 1.851 ( -1.328 0.000 0.562) 1.442 1.867 ( -5.394 0.000 0.492) 5.416 1.956 ( 3.783 0.000 -1.283) 3.995 2.057 ( -5.477 0.000 -1.220) 5.611 2.084 ( -7.399 0.000 -2.987) 7.979 2.146 ( 0.407 0.000 0.871) 0.961 2.177 ( 5.050 0.000 -1.960) 5.417 2.262 ( 8.048 0.000 -4.261) 9.107 2.280 ( -0.698 0.000 1.098) 1.301 2.368 ( -1.283 0.000 -0.207) 1.299 2.447 ( 0.785 0.000 -8.422) 8.459 2.506 ( 1.026 0.000 6.329) 6.412 2.549 ( 10.369 0.000 5.521) 11.748 2.603 ( 2.201 0.000 3.740) 4.339 2.713 ( -6.444 0.000 -2.807) 7.029 2.780 ( 0.077 0.000 -2.139) 2.140 2.790 ( 0.952 0.000 -1.963) 2.182 2.836 ( -1.552 0.000 -4.370) 4.637 2.863 ( -1.187 0.000 -5.421) 5.550 3.012 ( 2.386 0.000 0.732) 2.496 3.049 ( 1.392 0.000 -2.091) 2.512 3.064 ( -0.054 0.000 0.903) 0.904 3.281 ( -0.893 0.000 -0.502) 1.025 3.300 ( 5.312 0.000 3.437) 6.327 3.402 ( -1.946 0.000 -0.783) 2.098 3.492 ( 2.811 0.000 1.041) 2.997 4.142 ( 0.386 0.000 1.372) 1.425 4.168 ( -0.000 0.000 -1.008) 1.008 4.212 ( 0.173 0.000 0.602) 0.626 4.238 ( 1.192 0.000 0.635) 1.350 6.575 ( 0.244 0.000 0.196) 0.313 6.606 ( 1.202 0.000 0.017) 1.202 6.636 ( 0.113 0.000 -0.803) 0.810 6.654 ( 0.567 0.000 -0.157) 0.588 7.018 ( -0.203 0.000 -0.066) 0.213 7.034 ( -0.186 0.000 -2.096) 2.104 7.073 ( 0.218 0.000 0.927) 0.952 7.094 ( -0.696 0.000 -0.936) 1.167 7.104 ( 0.542 0.000 0.309) 0.623 7.137 ( -0.155 0.000 0.041) 0.161 7.172 ( 0.359 0.000 1.068) 1.126 7.220 ( 0.903 0.000 -0.021) 0.903 7.859 ( 2.147 0.000 -0.409) 2.186 7.897 ( 3.500 0.000 -0.122) 3.502 7.925 ( 1.140 0.000 0.632) 1.303 7.960 ( 1.288 0.000 -1.327) 1.849 8.098 ( 1.587 0.000 0.646) 1.713 8.124 ( 0.999 0.000 -0.822) 1.293 8.143 ( 0.453 0.000 0.496) 0.672 8.182 ( 1.281 0.000 -0.487) 1.371 8.674 ( 0.655 0.000 0.783) 1.021 8.711 ( 0.458 0.000 -1.008) 1.107 8.729 ( 0.328 0.000 -0.211) 0.390 8.746 ( 0.500 0.000 -0.409) 0.646 9.057 ( -1.971 0.000 0.464) 2.025 9.093 ( -1.515 0.000 0.420) 1.572 9.093 ( -1.472 0.000 -0.178) 1.483 9.120 ( -0.666 0.000 -0.508) 0.838 9.620 ( -0.290 0.000 -0.119) 0.314 9.627 ( -0.456 0.000 -0.632) 0.779 9.677 ( -0.315 0.000 1.211) 1.251 9.685 ( -0.874 0.000 -0.210) 0.899 11.415 ( 0.364 0.000 -0.173) 0.403 11.429 ( 0.534 0.000 -0.318) 0.621 11.444 ( 0.133 0.000 0.917) 0.926 11.470 ( 0.250 0.000 -0.397) 0.469 12.254 ( -0.081 0.000 0.320) 0.330 12.282 ( -0.218 0.000 -0.599) 0.638 12.297 ( -0.463 0.000 -0.017) 0.463 12.310 ( -0.227 0.000 -0.379) 0.442 12.519 ( -0.339 0.000 0.410) 0.532 12.527 ( -0.595 0.000 -0.419) 0.727 12.537 ( -1.059 0.000 -0.132) 1.067 12.545 ( -0.954 0.000 0.263) 0.989 12.671 ( -1.202 0.000 -0.920) 1.514 12.675 ( -0.799 0.000 -0.989) 1.271 12.687 ( 0.769 0.000 1.188) 1.415 12.698 ( 0.725 0.000 1.133) 1.345 13.106 ( -0.900 0.000 0.929) 1.294 13.109 ( -1.941 0.000 -1.182) 2.273 13.141 ( -1.038 0.000 1.004) 1.444 13.159 ( -1.381 0.000 -0.732) 1.563 13.375 ( -1.456 0.000 -0.520) 1.546 13.403 ( -1.530 0.000 -0.849) 1.750 13.409 ( -0.545 0.000 0.756) 0.932 13.412 ( 0.030 0.000 0.774) 0.774 13.529 ( 1.138 0.000 -0.513) 1.248 13.530 ( 1.690 0.000 -0.037) 1.691 13.539 ( 1.104 0.000 -0.210) 1.123 13.548 ( 1.899 0.000 0.486) 1.960 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -16.761 0.000 -0.614) 16.772 0.858 ( -18.466 0.000 -2.784) 18.675 1.182 ( -20.654 0.000 4.322) 21.102 1.294 ( -6.910 0.000 0.362) 6.920 1.323 ( 2.673 0.000 2.045) 3.365 1.359 ( -3.835 0.000 -8.466) 9.294 1.432 ( -5.401 0.000 -0.496) 5.424 1.528 ( -1.174 0.000 0.341) 1.222 1.568 ( -0.395 0.000 0.760) 0.856 1.669 ( -0.122 0.000 1.820) 1.824 1.704 ( 1.127 0.000 -0.201) 1.144 1.797 ( 4.166 0.000 -4.384) 6.048 1.842 ( -2.955 0.000 1.606) 3.363 1.898 ( 1.696 0.000 2.544) 3.058 1.971 ( -0.578 0.000 -2.699) 2.761 1.986 ( 2.269 0.000 8.351) 8.654 1.987 ( -0.911 0.000 -0.527) 1.052 2.167 ( -1.765 0.000 -6.406) 6.644 2.228 ( 4.886 0.000 -4.280) 6.496 2.260 ( 3.462 0.000 -3.682) 5.054 2.307 ( -1.255 0.000 0.772) 1.474 2.410 ( 7.317 0.000 -0.259) 7.321 2.455 ( 6.057 0.000 -2.208) 6.447 2.527 ( -9.672 0.000 -1.416) 9.776 2.591 ( -0.335 0.000 6.138) 6.148 2.660 ( -0.159 0.000 1.450) 1.458 2.706 ( 1.470 0.000 3.497) 3.794 2.771 ( -1.787 0.000 -3.936) 4.322 2.773 ( -1.724 0.000 2.545) 3.074 2.802 ( -0.967 0.000 -0.816) 1.265 2.826 ( 2.888 0.000 -0.920) 3.031 2.994 ( -3.238 0.000 -1.431) 3.540 3.047 ( 0.532 0.000 -0.210) 0.572 3.117 ( 4.284 0.000 3.420) 5.482 3.302 ( 3.292 0.000 0.165) 3.296 3.386 ( 1.237 0.000 -0.117) 1.243 3.425 ( 5.223 0.000 1.498) 5.433 3.536 ( 1.818 0.000 0.223) 1.831 4.159 ( 0.124 0.000 0.679) 0.691 4.164 ( 0.701 0.000 -0.851) 1.103 4.221 ( 0.271 0.000 0.403) 0.485 4.264 ( 1.237 0.000 0.212) 1.255 6.588 ( 0.847 0.000 0.398) 0.936 6.628 ( 1.013 0.000 0.318) 1.062 6.631 ( 0.138 0.000 -0.547) 0.564 6.654 ( 0.040 0.000 -0.781) 0.782 7.011 ( -0.088 0.000 -0.710) 0.716 7.016 ( -0.260 0.000 0.528) 0.588 7.070 ( -0.668 0.000 -0.463) 0.813 7.091 ( 0.604 0.000 0.263) 0.659 7.098 ( -0.259 0.000 -1.142) 1.171 7.158 ( 1.050 0.000 1.393) 1.744 7.191 ( 0.470 0.000 0.714) 0.855 7.226 ( 0.198 0.000 -0.856) 0.879 7.882 ( 0.913 0.000 -0.408) 1.000 7.926 ( -0.993 0.000 -0.137) 1.002 7.954 ( 2.805 0.000 -0.015) 2.805 7.969 ( 0.953 0.000 -0.738) 1.206 8.146 ( 2.507 0.000 0.912) 2.668 8.158 ( 2.762 0.000 0.336) 2.783 8.159 ( 1.276 0.000 0.117) 1.282 8.216 ( 2.801 0.000 -0.143) 2.805 8.697 ( 0.789 0.000 0.969) 1.250 8.709 ( 0.614 0.000 -0.897) 1.087 8.733 ( 0.269 0.000 -0.062) 0.276 8.749 ( 0.410 0.000 -0.569) 0.702 9.030 ( -1.817 0.000 0.663) 1.934 9.060 ( -1.764 0.000 -0.439) 1.818 9.067 ( -1.899 0.000 0.375) 1.936 9.101 ( -0.776 0.000 -0.435) 0.890 9.614 ( -0.428 0.000 -0.227) 0.485 9.614 ( -0.361 0.000 0.195) 0.410 9.668 ( -0.784 0.000 -0.225) 0.816 9.684 ( -0.395 0.000 0.984) 1.060 11.422 ( 0.482 0.000 0.039) 0.483 11.436 ( 0.603 0.000 -0.158) 0.623 11.455 ( 0.032 0.000 0.708) 0.708 11.470 ( 0.326 0.000 -0.440) 0.547 12.257 ( -0.161 0.000 0.465) 0.492 12.276 ( 0.130 0.000 -0.274) 0.303 12.293 ( -0.481 0.000 0.961) 1.074 12.301 ( -0.287 0.000 -0.437) 0.522 12.508 ( -0.874 0.000 -0.534) 1.025 12.514 ( -1.261 0.000 -0.183) 1.274 12.515 ( -0.474 0.000 0.255) 0.538 12.530 ( -1.030 0.000 0.237) 1.056 12.646 ( -0.839 0.000 -0.413) 0.935 12.653 ( -0.598 0.000 -0.560) 0.820 12.710 ( 0.559 0.000 0.719) 0.911 12.721 ( 0.492 0.000 0.873) 1.002 13.063 ( -1.961 0.000 -0.757) 2.102 13.096 ( -1.310 0.000 0.834) 1.553 13.125 ( -1.382 0.000 -0.767) 1.581 13.130 ( -1.317 0.000 0.725) 1.503 13.348 ( -1.185 0.000 -0.278) 1.217 13.376 ( -0.695 0.000 -0.458) 0.833 13.395 ( -0.834 0.000 -0.292) 0.883 13.421 ( -0.301 0.000 0.838) 0.891 13.531 ( 0.406 0.000 -0.776) 0.876 13.562 ( 1.793 0.000 0.054) 1.794 13.563 ( 1.280 0.000 0.042) 1.281 13.590 ( 2.078 0.000 0.521) 2.143 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -18.799 0.000 -1.218) 18.838 0.482 ( -23.274 0.000 5.958) 24.025 0.681 ( -32.521 0.000 9.229) 33.805 1.210 ( -3.479 0.000 0.878) 3.588 1.239 ( -5.795 0.000 0.330) 5.804 1.288 ( -4.107 0.000 -3.969) 5.712 1.464 ( 4.534 0.000 2.054) 4.977 1.559 ( 5.008 0.000 0.393) 5.024 1.597 ( -5.039 0.000 -3.519) 6.146 1.668 ( 1.687 0.000 -4.327) 4.644 1.712 ( 6.937 0.000 2.680) 7.437 1.778 ( -0.648 0.000 -4.499) 4.545 1.861 ( 0.869 0.000 7.137) 7.190 1.931 ( -2.619 0.000 -0.261) 2.632 1.942 ( 0.728 0.000 -15.080) 15.097 1.983 ( 1.438 0.000 1.136) 1.832 2.031 ( 4.379 0.000 2.219) 4.909 2.173 ( 2.461 0.000 4.041) 4.731 2.218 ( -3.592 0.000 -1.154) 3.772 2.303 ( -1.911 0.000 1.910) 2.702 2.332 ( 2.479 0.000 4.147) 4.832 2.402 ( -0.519 0.000 -0.200) 0.556 2.518 ( 4.278 0.000 -2.129) 4.779 2.519 ( 3.919 0.000 -2.220) 4.504 2.583 ( -2.516 0.000 -1.327) 2.844 2.661 ( -1.237 0.000 0.163) 1.248 2.674 ( -0.433 0.000 -9.093) 9.103 2.678 ( -5.804 0.000 0.037) 5.804 2.760 ( -1.147 0.000 4.024) 4.185 2.843 ( 0.570 0.000 8.499) 8.518 2.860 ( 0.803 0.000 -0.611) 1.009 2.914 ( -3.337 0.000 1.153) 3.531 3.102 ( 1.419 0.000 6.679) 6.828 3.251 ( 4.995 0.000 1.964) 5.368 3.358 ( 2.544 0.000 -0.655) 2.627 3.412 ( 1.438 0.000 -0.555) 1.541 3.509 ( 3.186 0.000 0.121) 3.189 3.551 ( -0.094 0.000 -4.701) 4.702 4.160 ( -0.146 0.000 -0.306) 0.339 4.170 ( 0.900 0.000 -0.725) 1.155 4.232 ( 0.128 0.000 0.834) 0.844 4.282 ( 0.832 0.000 -0.501) 0.971 6.605 ( 0.498 0.000 0.162) 0.524 6.631 ( 0.288 0.000 0.154) 0.327 6.641 ( 0.013 0.000 -0.909) 0.910 6.648 ( 0.537 0.000 0.454) 0.703 7.017 ( -0.415 0.000 0.558) 0.695 7.056 ( 3.592 0.000 3.920) 5.317 7.061 ( -0.121 0.000 -0.099) 0.157 7.087 ( 1.169 0.000 0.761) 1.395 7.104 ( 0.461 0.000 0.678) 0.820 7.184 ( -0.184 0.000 -0.348) 0.394 7.199 ( 0.137 0.000 -0.176) 0.223 7.204 ( -0.137 0.000 -1.189) 1.196 7.889 ( 0.158 0.000 0.494) 0.519 7.906 ( -0.984 0.000 0.069) 0.986 7.974 ( 0.415 0.000 -0.984) 1.068 7.981 ( 0.448 0.000 0.152) 0.473 8.181 ( 1.794 0.000 -0.204) 1.805 8.203 ( 1.683 0.000 1.556) 2.292 8.205 ( 1.893 0.000 0.207) 1.904 8.260 ( 2.099 0.000 -0.143) 2.104 8.712 ( 0.598 0.000 -0.594) 0.843 8.716 ( 0.204 0.000 0.457) 0.500 8.738 ( 0.224 0.000 0.277) 0.356 8.751 ( 0.440 0.000 -0.175) 0.474 9.010 ( -1.300 0.000 0.458) 1.378 9.030 ( -0.919 0.000 -0.574) 1.084 9.042 ( -1.374 0.000 0.463) 1.450 9.086 ( -0.451 0.000 -0.330) 0.559 9.608 ( -0.223 0.000 0.103) 0.246 9.612 ( -0.318 0.000 0.430) 0.535 9.654 ( -0.415 0.000 -0.249) 0.484 9.685 ( -0.283 0.000 0.270) 0.391 11.431 ( 0.329 0.000 0.241) 0.407 11.442 ( 0.391 0.000 -0.386) 0.549 11.460 ( -0.226 0.000 0.405) 0.463 11.473 ( 0.370 0.000 -0.004) 0.370 12.258 ( -0.236 0.000 0.494) 0.547 12.278 ( 0.348 0.000 -0.217) 0.410 12.292 ( -0.074 0.000 -0.502) 0.508 12.313 ( 0.933 0.000 1.747) 1.980 12.490 ( -0.625 0.000 -0.593) 0.862 12.495 ( -0.764 0.000 -0.061) 0.766 12.510 ( -0.391 0.000 0.179) 0.430 12.517 ( -0.715 0.000 0.227) 0.750 12.633 ( -0.389 0.000 0.058) 0.393 12.644 ( -0.156 0.000 0.191) 0.247 12.719 ( 0.060 0.000 0.137) 0.150 12.730 ( -0.041 0.000 0.032) 0.052 13.032 ( -1.026 0.000 0.131) 1.035 13.080 ( -1.259 0.000 0.124) 1.265 13.100 ( -0.599 0.000 -0.622) 0.863 13.115 ( -1.091 0.000 0.298) 1.131 13.332 ( -0.574 0.000 0.277) 0.637 13.367 ( -0.135 0.000 -0.028) 0.138 13.382 ( -0.206 0.000 -0.074) 0.219 13.420 ( -0.393 0.000 0.114) 0.409 13.533 ( 0.424 0.000 -0.005) 0.424 13.580 ( 0.739 0.000 -0.103) 0.746 13.586 ( 1.021 0.000 -0.188) 1.038 13.622 ( 1.071 0.000 0.039) 1.072 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -0.330 11.521 11.610) 16.359 0.574 ( -3.323 16.477 9.612) 19.363 0.906 ( 2.378 19.766 14.651) 24.719 0.965 ( 4.631 -7.039 1.766) 8.609 1.155 ( -1.956 -5.025 -3.390) 6.369 1.339 ( 0.830 2.236 -2.889) 3.746 1.438 ( -2.834 0.139 -0.705) 2.924 1.540 ( -1.577 -3.540 -4.077) 5.625 1.564 ( 3.540 -2.330 -1.431) 4.473 1.599 ( -0.745 -4.671 -1.009) 4.837 1.696 ( 1.125 0.632 -2.813) 3.095 1.792 ( 0.464 -2.794 -2.505) 3.781 1.846 ( -1.215 -0.153 -5.588) 5.721 1.901 ( 2.153 -5.000 -0.040) 5.444 1.949 ( 0.042 -1.439 -1.292) 1.934 1.991 ( 0.789 0.079 3.099) 3.199 2.087 ( 2.276 -0.039 0.233) 2.288 2.152 ( -1.118 -0.729 -0.803) 1.557 2.219 ( 0.580 2.084 5.011) 5.458 2.349 ( -1.397 5.608 0.243) 5.785 2.396 ( -1.846 -2.597 -0.326) 3.203 2.439 ( 0.637 1.009 -2.938) 3.171 2.493 ( 0.531 2.170 1.691) 2.802 2.540 ( 0.563 -0.405 -2.552) 2.644 2.562 ( 2.458 0.088 -1.024) 2.664 2.602 ( -0.304 -0.290 -2.467) 2.503 2.628 ( -0.537 -0.981 0.325) 1.165 2.680 ( -1.131 3.078 -3.677) 4.927 2.725 ( 3.344 -5.630 3.738) 7.540 2.835 ( -2.037 3.110 3.227) 4.923 2.936 ( -0.150 -1.472 3.680) 3.966 3.012 ( 0.334 0.390 2.390) 2.445 3.039 ( -3.283 -6.897 9.065) 11.854 3.147 ( -0.838 -4.842 6.061) 7.803 3.346 ( 0.014 0.838 -0.128) 0.848 3.386 ( 2.054 -0.531 -0.031) 2.122 3.594 ( -0.599 7.559 -1.440) 7.718 3.699 ( -2.307 6.121 -9.948) 11.906 4.157 ( 0.026 0.649 -1.278) 1.433 4.177 ( 0.693 0.052 -1.238) 1.420 4.241 ( -0.434 0.056 1.243) 1.318 4.269 ( -0.202 -1.009 -0.001) 1.029 6.606 ( -0.344 0.175 -0.373) 0.536 6.623 ( -0.047 -0.653 -0.635) 0.912 6.649 ( 0.446 0.426 0.639) 0.889 6.661 ( 0.329 -0.068 0.594) 0.683 7.016 ( -0.350 0.231 0.164) 0.450 7.033 ( -0.370 -1.129 0.841) 1.456 7.067 ( 0.507 -0.129 -0.977) 1.108 7.086 ( -1.116 -0.915 -0.260) 1.466 7.131 ( -0.867 0.886 0.920) 1.544 7.175 ( -0.011 -2.118 0.949) 2.321 7.202 ( 0.448 0.048 -0.197) 0.491 7.209 ( 1.345 -0.067 -0.098) 1.350 7.902 ( -0.269 0.381 0.340) 0.577 7.915 ( 0.393 0.151 0.902) 0.995 7.968 ( 0.178 0.192 -1.099) 1.130 7.980 ( -0.249 -0.259 -0.195) 0.409 8.207 ( 0.234 0.126 0.383) 0.466 8.216 ( -0.391 -0.231 0.488) 0.666 8.237 ( -0.190 0.829 0.412) 0.945 8.273 ( 0.039 -0.550 -0.369) 0.664 8.712 ( -0.441 0.027 -0.350) 0.564 8.714 ( 0.291 -0.086 -0.377) 0.484 8.748 ( 0.144 0.201 0.607) 0.656 8.759 ( 0.236 -0.175 0.417) 0.510 9.000 ( -0.515 0.461 0.186) 0.716 9.026 ( -0.333 -0.194 0.129) 0.406 9.030 ( 0.328 0.513 -0.066) 0.612 9.072 ( 0.324 -0.858 -0.331) 0.975 9.610 ( 0.109 0.014 0.425) 0.439 9.611 ( -0.076 -0.075 0.475) 0.487 9.652 ( 0.010 0.274 -0.368) 0.459 9.665 ( -0.575 -0.329 -0.645) 0.924 11.439 ( 0.014 0.126 0.221) 0.255 11.444 ( -0.094 -0.032 -0.406) 0.418 11.462 ( -0.224 0.520 -0.034) 0.567 11.478 ( 0.182 -0.226 0.102) 0.307 12.261 ( -0.220 0.150 0.296) 0.399 12.274 ( -0.475 -0.519 -0.023) 0.704 12.288 ( -0.115 0.053 -0.029) 0.130 12.291 ( -0.271 -0.058 -0.104) 0.296 12.483 ( 0.438 0.171 0.418) 0.629 12.490 ( 0.262 -0.117 0.316) 0.427 12.506 ( -0.250 0.133 -0.074) 0.293 12.511 ( -0.265 -0.027 0.005) 0.267 12.640 ( 0.193 0.352 0.506) 0.645 12.651 ( 0.311 -0.177 0.903) 0.972 12.715 ( -0.336 0.006 -0.827) 0.893 12.720 ( -0.519 -0.163 -0.666) 0.860 13.049 ( 0.311 0.921 0.211) 0.995 13.062 ( -0.306 0.015 0.172) 0.351 13.092 ( 0.336 -0.031 -0.442) 0.556 13.098 ( -0.418 -0.266 -0.316) 0.588 13.338 ( 0.178 0.278 0.779) 0.846 13.358 ( 0.209 -0.726 0.357) 0.836 13.388 ( 0.001 0.572 -0.297) 0.644 13.408 ( -0.278 -0.358 -0.436) 0.629 13.553 ( 0.419 0.498 0.600) 0.885 13.575 ( 0.171 -0.652 0.043) 0.675 13.602 ( -0.119 0.593 -0.505) 0.788 13.621 ( -0.386 -0.312 -0.670) 0.833 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 12.191 -0.087 16.586) 20.584 0.732 ( 5.252 8.165 13.499) 16.627 1.007 ( 2.536 -5.605 5.643) 8.348 1.143 ( 4.519 -4.670 -0.747) 6.541 1.222 ( 5.335 8.330 -6.392) 11.777 1.299 ( 4.886 7.332 -4.951) 10.106 1.420 ( 3.482 5.760 0.823) 6.780 1.460 ( 2.071 -1.678 -8.231) 8.652 1.512 ( -3.967 -4.551 -2.150) 6.408 1.626 ( 3.648 -3.035 -1.806) 5.077 1.682 ( -0.079 2.100 0.087) 2.104 1.714 ( -1.398 -1.306 -3.625) 4.099 1.831 ( 3.233 -2.052 -3.486) 5.178 1.901 ( -2.698 -7.063 0.462) 7.575 1.954 ( -0.922 4.099 -2.865) 5.085 2.040 ( -0.712 1.662 -2.405) 3.009 2.057 ( 1.278 0.297 3.956) 4.168 2.155 ( -0.599 3.111 4.570) 5.560 2.262 ( -1.302 -4.403 -5.965) 7.528 2.330 ( -1.724 -1.266 0.849) 2.302 2.385 ( 4.416 1.432 3.630) 5.893 2.450 ( -0.527 -2.047 0.911) 2.301 2.475 ( -3.151 1.200 0.033) 3.372 2.524 ( -3.398 0.707 -2.157) 4.086 2.547 ( 0.546 2.109 0.828) 2.330 2.593 ( 1.040 0.130 -0.008) 1.048 2.645 ( 3.229 0.620 -2.097) 3.900 2.699 ( 5.485 2.366 -0.109) 5.974 2.792 ( -1.223 -0.632 0.734) 1.560 2.873 ( 4.449 -4.725 2.994) 7.147 2.961 ( -2.239 -1.664 3.938) 4.826 3.000 ( -3.301 0.812 4.068) 5.301 3.086 ( -2.449 -3.853 5.906) 7.465 3.187 ( -1.467 -4.625 3.649) 6.071 3.337 ( -2.038 3.140 -0.413) 3.766 3.412 ( 0.756 0.964 -0.735) 1.428 3.529 ( -6.752 4.379 -4.231) 9.092 3.547 ( -2.348 2.422 -1.063) 3.537 4.142 ( -0.332 0.580 -1.047) 1.242 4.172 ( 0.382 -0.319 -1.143) 1.247 4.239 ( -1.182 0.044 0.961) 1.524 4.259 ( -0.992 -0.709 0.138) 1.228 6.594 ( -0.616 0.219 -0.079) 0.659 6.616 ( -0.141 -0.806 -0.398) 0.910 6.661 ( 0.056 0.450 0.487) 0.666 6.667 ( -0.130 0.116 0.079) 0.191 7.014 ( -0.159 0.441 0.350) 0.585 7.039 ( 0.570 0.168 0.305) 0.668 7.069 ( 0.244 -1.130 0.034) 1.157 7.081 ( 0.972 -0.834 -0.400) 1.342 7.122 ( -1.255 1.016 0.648) 1.740 7.160 ( -1.592 -0.826 0.272) 1.814 7.196 ( -0.565 0.778 -0.442) 1.059 7.222 ( 0.202 -0.473 -0.827) 0.974 7.909 ( 0.147 0.576 0.797) 0.994 7.937 ( 0.236 -0.569 1.253) 1.396 7.956 ( 0.146 0.332 -1.047) 1.108 7.974 ( 0.101 -0.378 -0.560) 0.683 8.191 ( -2.341 0.081 0.235) 2.354 8.198 ( -2.210 0.009 0.339) 2.236 8.221 ( -2.098 0.662 0.631) 2.289 8.252 ( -1.855 -0.526 -0.214) 1.940 8.698 ( -0.748 0.275 -0.280) 0.845 8.714 ( 0.064 -0.413 -0.201) 0.464 8.755 ( -0.121 0.165 0.591) 0.626 8.763 ( -0.164 -0.096 0.166) 0.253 9.003 ( 0.668 0.634 0.135) 0.931 9.033 ( 0.886 -0.342 0.244) 0.981 9.044 ( 1.333 0.457 -0.037) 1.410 9.081 ( 1.097 -0.790 -0.386) 1.406 9.618 ( 0.169 0.044 0.580) 0.606 9.621 ( 0.414 -0.074 0.720) 0.834 9.650 ( -0.021 0.076 -0.898) 0.901 9.653 ( 0.595 -0.052 -0.321) 0.679 11.437 ( -0.293 -0.009 -0.108) 0.312 11.438 ( -0.335 -0.090 0.126) 0.369 11.457 ( -0.372 0.691 0.144) 0.797 11.480 ( -0.109 -0.344 -0.017) 0.361 12.261 ( -0.067 0.140 0.239) 0.285 12.267 ( -0.170 -0.003 0.196) 0.259 12.290 ( 0.381 0.103 0.062) 0.399 12.296 ( 0.620 -0.061 -0.031) 0.624 12.501 ( 0.240 0.052 -0.209) 0.323 12.504 ( 0.952 -0.025 0.265) 0.989 12.506 ( 0.702 0.034 0.430) 0.824 12.510 ( 0.418 -0.025 -0.077) 0.426 12.658 ( 0.702 0.342 1.201) 1.433 12.672 ( 0.584 -0.257 1.386) 1.526 12.693 ( -0.598 0.064 -1.424) 1.546 12.698 ( -0.810 -0.142 -1.072) 1.351 13.064 ( 0.530 0.200 0.197) 0.600 13.071 ( 1.111 0.244 0.766) 1.371 13.092 ( 0.574 0.081 -0.615) 0.845 13.105 ( 1.483 -0.243 -0.267) 1.526 13.355 ( 0.607 0.195 0.876) 1.083 13.369 ( 0.490 -0.474 0.274) 0.735 13.386 ( 0.305 0.390 -0.323) 0.591 13.399 ( -0.016 -0.245 -0.594) 0.643 13.567 ( 0.005 0.142 1.152) 1.160 13.574 ( -0.498 -0.212 0.247) 0.595 13.584 ( -1.116 0.267 -0.630) 1.309 13.593 ( -1.496 -0.170 -1.136) 1.886 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 2.537 4.548 10.116) 11.377 1.051 ( 6.667 -0.663 5.824) 8.877 1.119 ( -2.030 1.713 -8.061) 8.487 1.145 ( 4.727 -0.513 6.802) 8.299 1.236 ( 7.463 -0.751 -3.531) 8.291 1.272 ( 5.760 -2.784 -4.294) 7.704 1.406 ( 2.275 -4.100 -2.745) 5.433 1.435 ( 2.522 -3.829 -4.347) 6.318 1.592 ( 7.423 3.956 -1.444) 8.535 1.642 ( -3.384 2.230 -0.711) 4.115 1.688 ( 0.674 -1.557 2.117) 2.713 1.762 ( -4.027 1.785 -1.880) 4.789 1.769 ( 4.641 3.952 0.542) 6.120 1.872 ( 2.877 -1.619 -1.134) 3.490 1.945 ( 2.214 0.830 -2.811) 3.673 2.012 ( -2.680 0.086 0.108) 2.683 2.105 ( -0.481 -0.571 1.381) 1.570 2.195 ( 4.401 0.912 -3.856) 5.921 2.248 ( -3.366 -0.111 -0.834) 3.469 2.266 ( 3.358 2.795 3.209) 5.421 2.363 ( -6.671 -0.029 0.213) 6.674 2.405 ( -4.728 0.113 -2.848) 5.520 2.436 ( -3.094 0.696 1.908) 3.702 2.489 ( -2.896 -3.625 0.757) 4.701 2.578 ( 3.122 -1.879 -1.430) 3.915 2.670 ( 3.540 1.897 -2.076) 4.521 2.693 ( 4.775 3.942 4.959) 7.933 2.735 ( 2.464 3.333 -2.556) 4.870 2.850 ( 5.703 -3.333 1.652) 6.809 2.956 ( -1.294 0.959 3.129) 3.519 2.961 ( 0.815 -3.315 1.343) 3.668 2.999 ( -1.352 0.403 1.987) 2.437 3.094 ( -2.994 -3.881 4.510) 6.661 3.162 ( -3.562 -3.422 0.135) 4.942 3.278 ( -3.175 1.114 -0.452) 3.395 3.350 ( -4.928 0.874 -2.801) 5.735 3.430 ( -2.186 2.725 1.536) 3.816 3.502 ( -2.725 -0.005 -0.618) 2.794 4.124 ( -0.487 0.625 -0.681) 1.045 4.166 ( 0.256 -0.851 -0.928) 1.285 4.223 ( -1.601 0.159 0.751) 1.775 4.240 ( -1.389 -0.515 0.244) 1.501 6.586 ( -0.568 0.325 0.401) 0.768 6.609 ( -0.373 -0.691 -0.152) 0.800 6.657 ( -0.556 0.242 -0.613) 0.862 6.662 ( -0.229 0.155 -0.028) 0.277 7.019 ( 0.364 0.323 0.251) 0.547 7.059 ( 0.905 0.839 -0.429) 1.307 7.060 ( -0.665 -1.132 -0.148) 1.321 7.100 ( 0.255 -0.828 0.636) 1.074 7.118 ( 0.565 0.156 0.235) 0.632 7.138 ( -1.149 -0.097 0.498) 1.256 7.178 ( -0.779 0.929 -0.234) 1.234 7.205 ( -0.613 -0.272 -1.169) 1.348 7.912 ( -1.222 0.515 0.642) 1.473 7.925 ( -1.356 0.069 -0.550) 1.465 7.955 ( -1.214 -0.020 0.303) 1.251 7.971 ( 0.478 -0.525 -0.692) 0.992 8.150 ( -2.399 0.016 0.556) 2.463 8.157 ( -2.634 -0.059 0.678) 2.721 8.185 ( -2.495 0.698 0.300) 2.608 8.216 ( -1.853 -0.558 0.040) 1.935 8.682 ( -0.814 0.468 -0.080) 0.943 8.711 ( -0.180 -0.774 -0.111) 0.802 8.756 ( -0.386 0.153 0.216) 0.468 8.758 ( -0.342 0.105 -0.160) 0.392 9.026 ( 1.644 0.669 0.315) 1.803 9.058 ( 1.420 -0.608 0.470) 1.615 9.072 ( 1.842 0.491 -0.172) 1.914 9.098 ( 1.354 -0.556 -0.497) 1.546 9.629 ( 0.311 0.006 0.472) 0.566 9.633 ( 0.297 -0.251 -0.056) 0.393 9.649 ( 0.602 0.521 0.004) 0.796 9.667 ( 1.011 -0.298 0.144) 1.064 11.428 ( -0.456 0.063 -0.222) 0.511 11.434 ( -0.469 -0.245 0.287) 0.602 11.453 ( -0.371 0.685 0.263) 0.822 11.475 ( -0.317 -0.332 -0.114) 0.473 12.262 ( -0.126 0.284 0.203) 0.371 12.273 ( 0.563 -0.114 0.172) 0.599 12.300 ( 0.603 0.089 -0.035) 0.611 12.308 ( 0.641 -0.154 0.187) 0.686 12.500 ( 0.318 0.212 -0.496) 0.626 12.514 ( 0.788 -0.374 -0.280) 0.916 12.527 ( 0.902 0.080 0.344) 0.968 12.528 ( 0.935 0.058 0.241) 0.967 12.666 ( -0.542 0.038 -1.019) 1.155 12.672 ( -0.587 -0.182 -0.971) 1.150 12.689 ( 0.849 0.325 1.220) 1.522 12.700 ( 0.592 -0.154 1.345) 1.477 13.076 ( 0.809 0.167 -0.127) 0.836 13.089 ( 0.974 -0.400 -0.505) 1.167 13.118 ( 1.848 0.505 0.691) 2.037 13.135 ( 2.052 -0.257 -0.032) 2.068 13.370 ( 0.165 0.041 -0.839) 0.856 13.373 ( 0.663 -0.048 0.196) 0.693 13.397 ( 0.445 0.094 -0.369) 0.586 13.403 ( 1.145 -0.135 0.860) 1.438 13.551 ( -1.776 0.019 -0.981) 2.029 13.555 ( -1.479 -0.166 -0.425) 1.547 13.564 ( -1.058 0.274 0.299) 1.133 13.573 ( -0.809 -0.162 0.922) 1.237 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -2.200 3.894 1.860) 4.844 1.029 ( 4.298 2.384 -6.822) 8.408 1.174 ( 0.138 0.613 6.369) 6.400 1.249 ( 1.380 -1.250 -3.191) 3.694 1.287 ( 2.167 0.213 6.215) 6.585 1.383 ( 4.877 -1.203 -2.840) 5.770 1.452 ( 3.864 -0.003 0.569) 3.906 1.534 ( 3.041 1.967 -1.051) 3.772 1.581 ( 6.079 -2.328 0.660) 6.543 1.671 ( -0.258 2.467 1.831) 3.083 1.706 ( 2.153 -2.045 3.893) 4.896 1.778 ( 2.520 -3.129 2.100) 4.533 1.839 ( 2.291 0.759 -0.054) 2.414 1.897 ( -0.500 -0.811 -2.553) 2.725 1.917 ( -0.252 2.365 -1.797) 2.981 1.923 ( -4.294 1.719 0.023) 4.625 2.127 ( 0.043 -3.076 0.719) 3.159 2.168 ( -0.383 -1.176 -2.378) 2.680 2.219 ( -5.170 -0.604 -2.977) 5.997 2.250 ( 0.479 2.679 -1.593) 3.153 2.326 ( 0.902 3.362 -0.614) 3.535 2.359 ( -4.810 3.402 -1.742) 6.143 2.384 ( -1.181 -3.754 0.472) 3.964 2.463 ( 1.526 -2.674 1.483) 3.417 2.548 ( 0.444 2.334 -1.939) 3.066 2.749 ( 3.006 0.789 0.163) 3.112 2.771 ( 6.118 -1.499 -2.875) 6.924 2.823 ( 2.319 3.756 2.335) 4.993 2.907 ( -4.396 -3.441 0.274) 5.589 2.935 ( -0.109 -1.191 -0.004) 1.196 2.960 ( -0.604 1.296 0.231) 1.449 3.033 ( 4.096 1.219 0.954) 4.379 3.075 ( -2.184 -1.565 -0.070) 2.688 3.103 ( -2.550 -2.861 -0.882) 3.933 3.213 ( -3.499 2.365 0.798) 4.298 3.313 ( 0.349 -0.428 1.993) 2.068 3.413 ( -1.332 -0.576 0.665) 1.597 3.432 ( -3.795 0.023 -1.450) 4.063 4.114 ( -0.189 0.693 -0.061) 0.721 4.162 ( 0.176 -1.317 -0.368) 1.378 4.206 ( -1.278 0.351 0.766) 1.531 4.220 ( -1.253 -0.369 0.312) 1.343 6.583 ( -0.519 0.294 0.731) 0.943 6.599 ( -0.538 -0.351 -0.180) 0.667 6.639 ( -0.402 0.338 -0.744) 0.911 6.655 ( -0.108 -0.274 -0.488) 0.570 7.025 ( -0.692 0.062 -0.360) 0.783 7.034 ( 0.090 -0.433 -0.420) 0.611 7.077 ( 0.679 1.141 -0.255) 1.352 7.097 ( -0.209 -0.104 0.009) 0.234 7.127 ( -0.924 -0.625 0.202) 1.134 7.138 ( 1.053 -0.700 -0.125) 1.271 7.174 ( 0.017 0.569 0.532) 0.779 7.185 ( -0.504 0.131 -0.202) 0.559 7.875 ( -2.816 0.198 -0.082) 2.825 7.894 ( -2.105 0.028 0.304) 2.127 7.912 ( -2.759 1.000 -0.645) 3.004 7.969 ( -0.122 -0.999 -0.537) 1.141 8.123 ( -1.580 0.076 0.889) 1.814 8.127 ( -2.154 -0.165 0.372) 2.192 8.161 ( -0.090 0.722 -0.041) 0.729 8.195 ( -0.549 -0.681 -0.234) 0.905 8.669 ( -0.673 0.592 0.097) 0.901 8.707 ( -0.261 -1.060 0.021) 1.092 8.748 ( -0.382 0.216 -0.332) 0.550 8.750 ( -0.225 0.253 -0.347) 0.485 9.061 ( 1.721 0.519 0.475) 1.859 9.086 ( 1.025 -0.501 0.409) 1.212 9.099 ( 1.548 0.326 -0.324) 1.615 9.115 ( 1.141 -0.313 -0.415) 1.254 9.633 ( 0.351 0.019 -0.503) 0.614 9.639 ( 0.302 -0.304 0.212) 0.478 9.662 ( 0.494 0.700 0.311) 0.911 9.687 ( 0.762 -0.435 0.479) 1.000 11.419 ( -0.381 0.150 -0.097) 0.421 11.428 ( -0.457 -0.337 0.151) 0.588 11.448 ( -0.330 0.636 0.046) 0.718 11.468 ( -0.315 -0.287 0.027) 0.427 12.261 ( -0.123 0.468 0.090) 0.492 12.285 ( 0.539 -0.465 0.101) 0.719 12.308 ( 0.577 0.182 -0.304) 0.677 12.319 ( 0.377 -0.111 -0.019) 0.394 12.503 ( 0.417 0.361 -0.158) 0.574 12.525 ( 0.687 -0.650 -0.105) 0.951 12.542 ( 0.686 0.171 -0.013) 0.707 12.543 ( 0.590 0.040 0.077) 0.597 12.652 ( -0.193 0.073 -0.274) 0.343 12.657 ( -0.146 -0.124 -0.566) 0.597 12.712 ( 0.459 0.197 0.684) 0.846 12.720 ( 0.230 -0.104 0.799) 0.838 13.088 ( 0.821 0.239 -0.227) 0.885 13.104 ( 1.084 -0.463 0.006) 1.179 13.153 ( 1.419 0.395 0.217) 1.489 13.168 ( 1.608 -0.262 -0.019) 1.630 13.366 ( 0.282 0.182 -0.427) 0.543 13.381 ( 0.477 -0.572 -0.413) 0.851 13.408 ( 1.048 0.779 0.109) 1.310 13.434 ( 1.302 -0.422 0.652) 1.516 13.517 ( -1.209 0.170 -0.415) 1.290 13.526 ( -1.515 -0.229 -0.070) 1.534 13.547 ( -1.042 0.262 0.124) 1.082 13.559 ( -1.538 -0.224 0.188) 1.565 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -1.417 3.345 2.564) 4.447 1.064 ( 1.824 0.794 1.540) 2.516 1.234 ( 3.975 3.070 1.212) 5.167 1.259 ( -0.534 3.323 1.733) 3.785 1.323 ( -1.699 -0.227 2.484) 3.018 1.400 ( 0.782 4.653 -0.043) 4.719 1.500 ( -0.654 -0.617 0.151) 0.912 1.578 ( 2.556 -0.349 -0.075) 2.581 1.666 ( 2.435 -3.441 1.287) 4.408 1.736 ( 2.242 2.589 1.279) 3.656 1.748 ( -5.706 0.654 0.667) 5.782 1.799 ( 1.699 -4.080 3.990) 5.955 1.855 ( 3.546 0.096 -1.472) 3.841 1.888 ( 0.769 -2.271 3.701) 4.410 1.931 ( 4.253 -2.193 1.446) 4.999 1.954 ( -0.251 3.503 1.746) 3.922 2.059 ( -9.824 -3.614 -1.253) 10.543 2.106 ( -0.831 -3.587 -0.370) 3.700 2.132 ( 0.585 0.560 -1.533) 1.734 2.253 ( 1.646 0.504 -1.457) 2.255 2.319 ( -1.462 -1.041 -2.931) 3.437 2.330 ( 3.788 0.805 -1.189) 4.051 2.397 ( 3.396 3.481 1.542) 5.101 2.472 ( -2.830 -6.024 -1.795) 6.893 2.553 ( 0.726 5.743 0.047) 5.789 2.771 ( -1.847 0.877 -3.936) 4.436 2.774 ( 1.910 0.460 -2.122) 2.891 2.842 ( -1.472 -2.876 -2.181) 3.898 2.866 ( 5.842 0.961 -2.242) 6.331 2.933 ( -1.355 0.714 0.376) 1.577 2.940 ( -1.777 0.563 -0.793) 2.026 3.019 ( -3.520 -2.083 -1.579) 4.385 3.074 ( -0.209 1.371 -1.433) 1.994 3.085 ( 1.590 -0.785 -0.887) 1.982 3.191 ( -1.122 3.773 0.907) 4.040 3.347 ( 0.330 0.304 1.443) 1.511 3.357 ( -2.019 0.082 -0.912) 2.217 3.411 ( 0.080 -3.758 1.227) 3.954 4.117 ( 0.151 0.769 0.597) 0.985 4.167 ( 0.395 -1.437 0.520) 1.578 4.199 ( -0.540 0.179 0.801) 0.982 4.204 ( -0.970 -0.151 0.145) 0.992 6.581 ( -0.613 0.133 0.556) 0.838 6.588 ( -0.201 -0.157 -0.432) 0.502 6.633 ( 0.280 0.320 -0.164) 0.456 6.649 ( 0.153 -0.310 -0.727) 0.805 7.010 ( 0.073 0.420 -0.350) 0.552 7.039 ( 0.377 -1.023 -0.132) 1.099 7.082 ( 0.427 1.026 -0.131) 1.119 7.097 ( 0.037 0.319 -0.176) 0.366 7.113 ( -0.818 -0.075 0.101) 0.828 7.144 ( 0.466 -0.621 -0.916) 1.201 7.178 ( -0.266 0.106 0.307) 0.420 7.184 ( -0.088 -0.117 0.656) 0.672 7.835 ( -1.382 0.276 0.090) 1.412 7.861 ( -1.385 -0.291 -0.074) 1.417 7.876 ( -0.732 1.652 0.117) 1.810 7.956 ( -0.456 -1.450 -0.739) 1.690 8.097 ( -0.923 0.447 -0.496) 1.140 8.116 ( -0.556 -0.344 0.812) 1.042 8.160 ( 0.036 0.453 -0.583) 0.739 8.185 ( 0.001 -0.551 -0.823) 0.990 8.663 ( -0.276 0.699 0.315) 0.815 8.705 ( -0.100 -1.134 0.207) 1.157 8.737 ( -0.077 0.326 -0.829) 0.894 8.744 ( 0.050 0.176 -0.430) 0.468 9.088 ( 0.589 0.216 0.443) 0.768 9.099 ( 0.158 -0.236 0.181) 0.336 9.115 ( 0.741 0.296 -0.367) 0.878 9.128 ( 0.620 -0.251 -0.055) 0.671 9.632 ( 0.166 0.094 -0.531) 0.565 9.643 ( 0.118 -0.475 -0.264) 0.556 9.671 ( 0.085 0.841 0.455) 0.960 9.699 ( 0.089 -0.461 0.292) 0.552 11.414 ( -0.117 0.129 0.003) 0.174 11.423 ( -0.223 -0.329 -0.026) 0.398 11.443 ( -0.188 0.692 -0.090) 0.723 11.466 ( -0.131 -0.334 0.128) 0.381 12.260 ( -0.096 0.595 0.032) 0.604 12.292 ( 0.159 -0.739 -0.035) 0.757 12.311 ( 0.300 0.285 -0.657) 0.777 12.320 ( 0.113 -0.052 -0.355) 0.376 12.511 ( 0.297 0.379 0.345) 0.592 12.532 ( 0.226 -0.542 -0.022) 0.588 12.550 ( 0.221 0.039 0.060) 0.233 12.553 ( 0.370 0.012 0.043) 0.373 12.651 ( 0.101 0.105 0.281) 0.316 12.657 ( 0.366 -0.133 0.311) 0.498 12.717 ( -0.236 0.161 -0.283) 0.403 12.722 ( -0.431 -0.074 -0.114) 0.452 13.100 ( 0.531 0.347 0.218) 0.671 13.122 ( 0.549 -0.627 0.574) 1.012 13.168 ( 0.360 0.463 -0.360) 0.688 13.185 ( 0.544 -0.306 -0.294) 0.690 13.373 ( 0.494 0.155 0.547) 0.753 13.386 ( 0.535 -0.457 0.036) 0.704 13.427 ( 0.665 0.727 -0.100) 0.990 13.454 ( 0.316 -0.430 -0.102) 0.543 13.501 ( -0.427 0.066 0.083) 0.440 13.504 ( -0.894 -0.031 0.035) 0.896 13.533 ( -0.617 -0.034 -0.265) 0.672 13.534 ( -0.759 -0.038 -0.237) 0.796 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -2.705 2.846 2.894) 4.877 1.115 ( -0.958 -1.252 5.335) 5.563 1.220 ( -5.697 3.882 2.643) 7.383 1.340 ( 4.648 1.269 3.356) 5.872 1.365 ( -2.540 3.670 -0.898) 4.553 1.405 ( 5.229 2.946 3.193) 6.798 1.460 ( -2.700 0.912 0.859) 2.977 1.610 ( 0.379 -2.541 -3.775) 4.566 1.648 ( -3.916 -0.343 1.905) 4.368 1.667 ( -0.890 -0.683 2.515) 2.754 1.807 ( -4.362 1.732 -1.340) 4.881 1.838 ( -3.800 -2.089 2.144) 4.838 1.862 ( -3.455 -2.159 0.612) 4.119 1.886 ( -5.531 -2.738 1.395) 6.327 1.926 ( 7.164 -0.294 2.923) 7.743 1.959 ( 1.365 -2.088 1.869) 3.116 2.079 ( 6.656 0.753 -0.519) 6.719 2.164 ( 6.439 -4.991 2.747) 8.597 2.189 ( 2.410 -1.233 -0.501) 2.753 2.235 ( -0.625 -4.287 -2.804) 5.161 2.255 ( 0.270 1.633 -3.472) 3.846 2.359 ( -3.686 -1.957 -1.356) 4.388 2.429 ( 3.524 1.649 -0.646) 3.944 2.464 ( -0.218 2.226 4.210) 4.767 2.543 ( -0.402 8.290 -0.524) 8.316 2.709 ( -0.370 5.727 -5.035) 7.634 2.769 ( -0.796 -1.101 -2.487) 2.834 2.788 ( 0.775 -2.280 -4.447) 5.057 2.865 ( -2.040 0.161 -3.992) 4.486 2.892 ( -3.519 -0.986 -0.816) 3.745 2.940 ( 1.273 1.298 -4.560) 4.909 2.959 ( 1.337 0.110 0.418) 1.405 3.034 ( -0.621 -0.492 -1.738) 1.910 3.071 ( -1.739 -1.776 -1.857) 3.103 3.202 ( 1.610 1.768 2.955) 3.801 3.303 ( -1.633 -1.625 -0.809) 2.442 3.411 ( 3.006 -0.416 1.708) 3.482 3.425 ( -0.126 -1.463 0.627) 1.597 4.130 ( 0.333 0.876 1.069) 1.421 4.181 ( 0.379 -0.795 -0.359) 0.951 4.193 ( -0.448 -0.289 0.994) 1.128 4.205 ( 0.254 -0.448 0.704) 0.872 6.576 ( -0.359 0.130 0.209) 0.435 6.587 ( 0.496 -0.317 -0.276) 0.650 6.642 ( 0.709 0.132 0.023) 0.721 6.644 ( 0.319 0.050 -0.752) 0.818 7.018 ( 0.698 0.430 0.031) 0.820 7.044 ( 0.397 -0.718 -0.372) 0.901 7.081 ( -0.524 0.990 -0.091) 1.124 7.094 ( -0.187 0.248 0.163) 0.351 7.105 ( 0.040 -0.035 -0.305) 0.309 7.138 ( -0.031 -0.872 -0.878) 1.238 7.172 ( -0.368 0.529 0.280) 0.702 7.196 ( 0.612 -0.526 0.501) 0.950 7.836 ( 1.249 0.595 0.117) 1.388 7.859 ( 1.313 0.323 -0.227) 1.371 7.888 ( 1.487 0.544 0.689) 1.727 7.946 ( 0.681 -1.241 -1.156) 1.828 8.086 ( 0.137 0.510 -0.160) 0.552 8.116 ( -0.111 -0.893 -0.004) 0.900 8.150 ( -0.093 0.792 -0.672) 1.043 8.176 ( 0.099 -0.423 -0.871) 0.974 8.667 ( 0.201 0.742 0.517) 0.927 8.707 ( 0.099 -0.904 0.114) 0.916 8.729 ( 0.340 0.327 -0.956) 1.066 8.742 ( 0.333 -0.073 -0.505) 0.609 9.085 ( -1.180 0.212 0.261) 1.227 9.098 ( -0.543 -0.436 0.168) 0.717 9.118 ( -0.254 0.423 -0.007) 0.494 9.130 ( -0.254 -0.205 -0.156) 0.362 9.627 ( -0.106 0.108 -0.429) 0.455 9.637 ( -0.179 -0.361 -0.605) 0.727 9.676 ( -0.274 0.594 0.766) 1.007 9.696 ( -0.539 -0.328 0.041) 0.632 11.414 ( 0.146 0.124 -0.118) 0.225 11.422 ( 0.177 -0.271 -0.053) 0.328 11.442 ( 0.053 0.675 0.199) 0.706 11.466 ( 0.093 -0.374 -0.050) 0.389 12.259 ( -0.079 0.628 0.114) 0.643 12.290 ( -0.215 -0.559 -0.220) 0.638 12.305 ( -0.049 0.174 -0.693) 0.716 12.316 ( -0.105 -0.138 -0.499) 0.528 12.519 ( -0.006 0.263 0.529) 0.591 12.533 ( -0.100 -0.330 -0.047) 0.348 12.550 ( -0.378 0.033 0.094) 0.391 12.554 ( -0.344 -0.054 0.107) 0.364 12.663 ( 0.503 0.131 0.901) 1.040 12.672 ( 0.568 -0.249 0.785) 1.001 12.701 ( -0.715 0.149 -0.850) 1.120 12.703 ( -0.998 0.022 -0.844) 1.307 13.109 ( -0.172 0.355 0.700) 0.804 13.132 ( -0.423 -0.681 0.683) 1.053 13.157 ( -0.785 0.608 -0.624) 1.173 13.179 ( -0.587 -0.404 -0.571) 0.913 13.392 ( 0.303 0.021 1.276) 1.312 13.398 ( 0.023 -0.329 0.488) 0.588 13.417 ( -0.849 0.618 -0.493) 1.160 13.438 ( -1.414 -0.324 -0.781) 1.647 13.505 ( 1.021 0.045 0.169) 1.036 13.508 ( 0.921 0.000 0.289) 0.966 13.527 ( 0.403 0.024 -0.440) 0.597 13.531 ( 0.631 -0.092 -0.428) 0.768 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -9.540 4.129 2.294) 10.645 1.090 ( -6.787 2.707 -2.873) 7.851 1.152 ( -7.305 -5.088 8.055) 12.006 1.306 ( -9.631 -3.874 -2.454) 10.667 1.358 ( 2.416 1.234 0.701) 2.802 1.464 ( 0.210 1.664 3.027) 3.461 1.553 ( 4.935 2.172 1.722) 5.660 1.585 ( 0.045 -0.778 2.304) 2.433 1.623 ( -2.883 0.331 -0.049) 2.902 1.659 ( -0.723 1.661 1.438) 2.313 1.740 ( -1.408 2.313 -1.929) 3.325 1.788 ( -2.804 0.203 4.064) 4.942 1.829 ( -2.338 -2.808 1.200) 3.846 1.858 ( 1.386 -2.643 1.042) 3.161 1.980 ( 0.290 3.290 -0.768) 3.391 2.068 ( 2.168 -1.568 2.865) 3.920 2.113 ( -3.425 -0.000 -2.338) 4.146 2.126 ( -4.471 3.673 -3.950) 7.006 2.171 ( 3.599 -0.501 -1.569) 3.958 2.284 ( 2.035 1.142 -2.100) 3.139 2.330 ( 3.035 -1.678 -1.460) 3.763 2.337 ( 0.563 -0.001 -2.045) 2.121 2.395 ( 5.077 -4.335 3.027) 7.330 2.480 ( -1.168 1.290 -0.670) 1.865 2.542 ( -1.012 3.084 -0.259) 3.256 2.701 ( -2.648 1.644 0.507) 3.158 2.723 ( 2.382 4.784 -0.153) 5.346 2.757 ( 0.283 -2.799 -3.016) 4.124 2.818 ( -1.160 -1.380 -3.211) 3.683 2.822 ( -0.689 0.326 -2.797) 2.899 2.841 ( -2.912 0.110 -3.203) 4.330 2.965 ( -1.112 -5.519 -1.623) 5.859 3.036 ( 0.836 -0.616 0.936) 1.398 3.046 ( -0.246 -1.492 -0.986) 1.805 3.281 ( 2.798 1.424 1.686) 3.563 3.336 ( 5.771 2.120 2.787) 6.750 3.413 ( -0.567 0.777 -0.531) 1.099 3.474 ( 2.463 -1.652 0.481) 3.004 4.150 ( 0.486 0.837 1.101) 1.466 4.174 ( 0.277 0.450 -1.082) 1.204 4.205 ( 0.097 -0.711 0.855) 1.116 4.223 ( 0.881 -1.298 0.667) 1.704 6.577 ( 0.315 0.274 0.208) 0.466 6.598 ( 0.861 -0.668 0.092) 1.094 6.642 ( 0.378 0.445 -0.791) 0.983 6.653 ( 0.567 -0.088 -0.315) 0.655 7.020 ( -0.300 0.268 -0.262) 0.480 7.036 ( -0.204 -0.040 -1.470) 1.485 7.081 ( 0.442 0.793 0.561) 1.068 7.091 ( -0.834 -0.038 -0.465) 0.956 7.103 ( 0.349 -0.215 -0.044) 0.412 7.127 ( -0.130 -0.965 -0.061) 0.975 7.181 ( 0.583 0.836 0.812) 1.304 7.214 ( 0.897 -0.573 0.083) 1.068 7.868 ( 2.034 0.789 -0.236) 2.194 7.894 ( 2.486 -0.241 -0.040) 2.498 7.928 ( 1.906 0.288 0.302) 1.951 7.953 ( 1.520 -0.660 -1.122) 2.001 8.102 ( 1.537 0.344 0.635) 1.698 8.119 ( 1.071 -0.439 -0.084) 1.160 8.150 ( 0.636 0.648 -0.184) 0.927 8.177 ( 1.212 -0.465 -0.530) 1.402 8.681 ( 0.572 0.621 0.715) 1.106 8.709 ( 0.313 -0.350 -0.350) 0.585 8.728 ( 0.509 0.085 -0.592) 0.785 8.744 ( 0.486 -0.313 -0.605) 0.837 9.061 ( -1.872 0.367 0.416) 1.953 9.083 ( -1.507 -0.598 0.261) 1.642 9.103 ( -1.415 0.474 -0.034) 1.493 9.117 ( -0.816 -0.227 -0.406) 0.939 9.620 ( -0.295 0.062 -0.183) 0.353 9.625 ( -0.404 -0.148 -0.524) 0.678 9.679 ( -0.425 0.157 0.962) 1.064 9.684 ( -0.808 -0.055 -0.020) 0.810 11.417 ( 0.380 0.224 -0.094) 0.451 11.427 ( 0.481 -0.169 -0.074) 0.516 11.449 ( 0.207 0.438 0.502) 0.697 11.467 ( 0.260 -0.309 -0.300) 0.503 12.260 ( -0.114 0.553 0.282) 0.631 12.281 ( -0.328 -0.179 -0.289) 0.472 12.296 ( -0.287 0.010 -0.265) 0.391 12.307 ( -0.235 -0.263 -0.437) 0.561 12.520 ( -0.393 0.089 0.273) 0.486 12.526 ( -0.573 -0.139 -0.278) 0.652 12.538 ( -1.017 0.099 -0.065) 1.024 12.544 ( -0.955 -0.097 0.193) 0.979 12.670 ( -0.940 -0.035 -0.748) 1.202 12.673 ( -0.746 -0.118 -0.884) 1.163 12.690 ( 0.562 0.270 1.009) 1.186 12.697 ( 0.624 -0.070 1.053) 1.226 13.107 ( -1.141 0.179 0.624) 1.313 13.113 ( -1.629 0.188 -0.551) 1.730 13.140 ( -1.071 -0.007 0.627) 1.241 13.155 ( -1.332 -0.416 -0.672) 1.549 13.378 ( -1.440 0.256 -0.486) 1.541 13.395 ( -1.350 -0.539 -0.364) 1.498 13.412 ( -0.425 0.135 0.174) 0.479 13.414 ( -0.287 0.114 0.812) 0.869 13.529 ( 1.308 0.047 -0.324) 1.348 13.531 ( 1.405 0.051 -0.211) 1.422 13.540 ( 1.273 0.060 -0.107) 1.279 13.546 ( 1.839 -0.164 0.402) 1.890 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -14.602 7.925 1.069) 16.648 0.828 ( -18.942 1.795 -0.638) 19.038 1.114 ( -2.266 -10.930 3.439) 11.680 1.167 ( -6.815 -9.033 1.641) 11.434 1.344 ( -10.629 5.106 -5.007) 12.811 1.410 ( -3.879 0.569 -3.686) 5.381 1.527 ( -4.308 4.418 0.644) 6.204 1.570 ( 2.813 2.806 -0.615) 4.020 1.599 ( -7.942 7.433 1.904) 11.043 1.682 ( 1.518 1.270 0.734) 2.111 1.755 ( 5.357 -1.719 1.210) 5.755 1.788 ( -1.740 6.143 -0.953) 6.455 1.829 ( -1.280 -1.990 1.184) 2.646 1.891 ( -1.645 -2.133 -0.171) 2.699 1.951 ( 0.033 0.178 0.067) 0.193 1.999 ( -1.893 3.524 -0.144) 4.003 2.063 ( 3.824 3.625 2.881) 6.005 2.151 ( -0.437 -5.847 -1.129) 5.971 2.191 ( -0.794 2.192 -4.536) 5.100 2.272 ( 5.889 2.607 -3.409) 7.286 2.355 ( 4.584 0.810 -1.073) 4.777 2.404 ( 5.085 -2.389 -1.601) 5.841 2.449 ( -0.106 0.763 -0.807) 1.115 2.512 ( -3.004 -0.843 -1.225) 3.351 2.533 ( 2.418 -9.668 4.294) 10.851 2.621 ( -4.247 3.016 3.077) 6.050 2.683 ( -1.688 -4.373 -4.424) 6.445 2.745 ( 0.597 -0.237 -3.928) 3.981 2.790 ( -0.845 1.138 3.027) 3.343 2.817 ( 2.420 0.399 -0.939) 2.626 2.852 ( -0.835 2.141 3.627) 4.294 2.936 ( -2.444 -5.372 1.341) 6.052 3.028 ( -0.188 -2.015 -0.951) 2.237 3.048 ( 0.055 -3.892 1.689) 4.243 3.339 ( 1.768 3.613 -0.389) 4.041 3.414 ( 1.196 1.139 -0.596) 1.756 3.475 ( 5.415 3.731 0.606) 6.603 3.548 ( 7.558 0.594 2.129) 7.874 4.166 ( 0.357 0.660 0.202) 0.778 4.171 ( 0.874 0.644 -1.151) 1.582 4.215 ( 0.199 -0.486 0.754) 0.919 4.247 ( 1.001 -1.568 0.467) 1.918 6.591 ( 0.846 0.354 0.442) 1.018 6.615 ( 0.759 -0.758 0.343) 1.126 6.640 ( 0.346 0.458 -0.618) 0.844 6.652 ( 0.077 -0.158 -0.827) 0.845 7.011 ( -0.123 0.177 -0.419) 0.471 7.020 ( -0.216 0.186 -0.031) 0.287 7.070 ( -0.662 -0.004 -0.507) 0.834 7.090 ( 0.032 -0.413 -0.759) 0.865 7.102 ( 0.352 0.766 0.305) 0.896 7.144 ( 0.693 -1.109 1.128) 1.727 7.200 ( 0.545 0.677 0.399) 0.956 7.222 ( 0.221 -0.380 -0.633) 0.771 7.889 ( 0.752 0.681 -0.279) 1.052 7.918 ( -0.022 -0.606 0.055) 0.609 7.961 ( 1.910 0.295 -0.112) 1.936 7.967 ( 1.064 -0.124 -0.588) 1.222 8.148 ( 2.412 0.198 0.881) 2.575 8.155 ( 2.066 -0.154 0.662) 2.175 8.170 ( 2.289 0.916 -0.220) 2.475 8.209 ( 2.810 -0.657 -0.198) 2.893 8.701 ( 0.684 0.317 0.804) 1.102 8.711 ( 0.493 0.054 -0.563) 0.750 8.732 ( 0.416 -0.004 -0.185) 0.455 8.745 ( 0.460 -0.378 -0.591) 0.839 9.034 ( -1.802 0.427 0.637) 1.958 9.056 ( -1.748 -0.435 0.289) 1.825 9.072 ( -1.764 0.539 -0.281) 1.866 9.097 ( -0.960 -0.478 -0.438) 1.158 9.614 ( -0.395 -0.029 -0.088) 0.405 9.614 ( -0.380 -0.033 -0.013) 0.382 9.670 ( -0.731 0.260 -0.036) 0.777 9.681 ( -0.485 -0.218 0.783) 0.947 11.425 ( 0.479 0.287 0.045) 0.560 11.436 ( 0.609 -0.111 0.002) 0.619 11.458 ( 0.173 0.276 0.432) 0.541 11.469 ( 0.338 -0.154 -0.319) 0.489 12.261 ( -0.174 0.413 0.361) 0.575 12.275 ( -0.100 -0.138 -0.063) 0.181 12.291 ( -0.347 -0.047 0.473) 0.589 12.298 ( -0.238 -0.207 -0.363) 0.481 12.507 ( -0.923 -0.053 -0.479) 1.041 12.510 ( -0.966 -0.182 -0.198) 1.003 12.520 ( -0.829 0.275 0.181) 0.892 12.529 ( -0.974 -0.111 0.236) 1.008 12.647 ( -0.726 0.153 -0.420) 0.852 12.653 ( -0.596 -0.074 -0.539) 0.807 12.711 ( 0.515 0.179 0.770) 0.944 12.720 ( 0.474 -0.152 0.871) 1.003 13.071 ( -1.710 0.700 -0.617) 1.948 13.093 ( -1.447 -0.288 0.423) 1.535 13.124 ( -1.256 -0.073 -0.257) 1.284 13.128 ( -1.292 -0.193 0.483) 1.393 13.350 ( -1.144 0.271 -0.315) 1.217 13.369 ( -0.867 -0.562 -0.468) 1.134 13.402 ( -0.648 0.498 -0.104) 0.823 13.418 ( -0.350 -0.269 0.659) 0.793 13.535 ( 0.577 0.375 -0.656) 0.951 13.553 ( 1.214 -0.491 -0.170) 1.320 13.572 ( 1.789 0.462 0.238) 1.863 13.587 ( 2.048 -0.280 0.490) 2.124 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -13.274 13.694 1.514) 19.131 0.554 ( -9.704 14.843 7.152) 19.122 0.958 ( -16.523 10.282 -3.311) 19.741 1.043 ( -12.933 -3.212 3.484) 13.773 1.202 ( 1.357 -4.172 5.081) 6.713 1.283 ( -1.959 -8.231 -2.457) 8.810 1.488 ( -0.024 5.047 0.142) 5.049 1.562 ( -1.578 -1.186 0.457) 2.026 1.578 ( 1.323 -0.737 -2.543) 2.960 1.648 ( -4.667 1.097 -2.765) 5.535 1.723 ( -2.790 -1.854 -2.039) 3.922 1.798 ( 4.125 3.509 -2.215) 5.851 1.870 ( -1.097 -1.283 -0.209) 1.701 1.900 ( 2.146 -1.073 -1.939) 3.085 1.958 ( -0.439 3.016 0.355) 3.068 1.987 ( 4.514 -2.139 1.792) 5.307 2.038 ( -2.062 -2.005 -7.277) 7.825 2.165 ( -0.094 -3.691 1.432) 3.960 2.192 ( -0.706 3.974 3.952) 5.649 2.339 ( 1.068 4.834 1.674) 5.226 2.382 ( 0.560 -1.218 0.021) 1.341 2.438 ( 2.561 4.373 0.761) 5.125 2.489 ( 3.315 -2.661 -0.696) 4.307 2.500 ( 3.302 0.269 -2.834) 4.360 2.586 ( 0.495 -2.168 -2.019) 3.004 2.593 ( 0.957 -4.995 -2.941) 5.875 2.633 ( -0.767 -2.115 1.944) 2.974 2.710 ( -2.794 -3.066 -0.090) 4.149 2.779 ( -3.400 3.186 -3.066) 5.578 2.816 ( -1.339 3.491 3.844) 5.363 2.893 ( 0.948 0.880 3.279) 3.525 2.930 ( -0.998 -1.300 5.563) 5.800 3.032 ( -1.170 -6.664 2.770) 7.311 3.088 ( 0.134 -5.259 5.158) 7.367 3.355 ( 1.385 0.051 -0.449) 1.457 3.384 ( -1.950 -1.306 -2.152) 3.185 3.570 ( 4.295 8.045 0.079) 9.120 3.724 ( 10.185 3.629 -4.177) 11.591 4.167 ( 0.302 0.632 -0.907) 1.146 4.175 ( 1.028 0.395 -1.225) 1.648 4.229 ( 0.085 -0.130 1.208) 1.218 4.265 ( 0.659 -1.467 0.106) 1.612 6.609 ( 0.458 0.329 0.094) 0.572 6.627 ( 0.278 -0.404 0.022) 0.491 6.642 ( 0.123 0.071 -0.607) 0.623 6.646 ( 0.489 -0.123 0.325) 0.600 7.018 ( 0.069 -0.186 0.490) 0.529 7.023 ( -0.047 -0.669 1.508) 1.650 7.064 ( 0.646 -0.089 -0.416) 0.773 7.090 ( 0.467 -0.734 0.498) 1.003 7.118 ( 1.170 1.163 1.087) 1.975 7.156 ( -0.839 -1.444 0.279) 1.693 7.205 ( 0.085 0.240 -0.332) 0.419 7.207 ( -0.366 0.227 -0.990) 1.079 7.897 ( 0.395 0.509 0.390) 0.753 7.912 ( -0.459 0.145 0.098) 0.491 7.974 ( 0.400 0.070 -0.642) 0.759 7.980 ( 0.392 -0.099 0.030) 0.405 8.186 ( 1.689 0.381 0.006) 1.732 8.198 ( 1.503 -0.249 0.928) 1.784 8.215 ( 2.078 0.874 0.329) 2.279 8.255 ( 2.287 -0.640 -0.211) 2.385 8.713 ( 0.480 0.099 -0.512) 0.708 8.717 ( 0.187 -0.012 0.195) 0.271 8.739 ( 0.340 0.131 0.272) 0.454 8.749 ( 0.478 -0.214 0.015) 0.524 9.014 ( -1.378 0.376 0.498) 1.513 9.034 ( -1.052 -0.213 0.301) 1.115 9.042 ( -1.209 0.547 -0.376) 1.379 9.078 ( -0.536 -0.748 -0.377) 0.994 9.608 ( -0.226 0.011 0.121) 0.257 9.610 ( -0.294 -0.119 0.312) 0.445 9.659 ( -0.432 0.417 -0.182) 0.627 9.678 ( -0.561 -0.513 0.169) 0.779 11.433 ( 0.323 0.260 0.184) 0.454 11.445 ( 0.506 -0.098 -0.261) 0.578 11.463 ( 0.028 0.346 0.126) 0.369 11.473 ( 0.343 -0.098 0.007) 0.357 12.261 ( -0.239 0.263 0.321) 0.479 12.276 ( 0.143 -0.329 -0.076) 0.367 12.291 ( -0.115 -0.059 -0.279) 0.307 12.297 ( -0.284 -0.700 1.003) 1.256 12.487 ( -0.802 -0.035 -0.269) 0.847 12.492 ( -0.667 -0.154 -0.056) 0.687 12.512 ( -0.477 0.152 0.171) 0.529 12.517 ( -0.606 -0.038 0.187) 0.636 12.638 ( -0.185 0.243 0.016) 0.306 12.643 ( -0.173 -0.086 0.152) 0.246 12.721 ( 0.031 0.183 0.109) 0.215 12.729 ( -0.030 -0.136 0.054) 0.150 13.048 ( -0.351 0.990 -0.121) 1.057 13.073 ( -1.062 -0.476 0.123) 1.170 13.103 ( -0.804 0.172 -0.425) 0.925 13.112 ( -1.069 -0.264 0.220) 1.123 13.335 ( -0.524 0.301 0.213) 0.641 13.356 ( -0.276 -0.730 -0.013) 0.781 13.392 ( -0.263 0.712 -0.125) 0.769 13.416 ( -0.360 -0.395 0.049) 0.537 13.541 ( 0.643 0.603 -0.103) 0.887 13.568 ( 0.724 -0.763 -0.135) 1.060 13.598 ( 1.014 0.669 -0.115) 1.220 13.618 ( 1.074 -0.335 0.021) 1.125 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.959 -12.020 3.655) 12.600 0.670 ( -0.959 12.020 3.655) 12.600 0.961 ( -5.430 -13.632 1.554) 14.755 0.961 ( -5.430 13.632 1.554) 14.755 1.264 ( 10.555 -8.549 6.594) 15.099 1.264 ( 10.555 8.549 6.594) 15.099 1.492 ( -1.016 -2.692 -1.469) 3.231 1.492 ( -1.016 2.692 -1.469) 3.231 1.531 ( -4.142 -3.003 -1.490) 5.328 1.531 ( -4.142 3.003 -1.490) 5.328 1.724 ( -0.829 -4.023 -1.320) 4.315 1.724 ( -0.829 4.023 -1.320) 4.315 1.832 ( 1.687 -2.338 -9.219) 9.659 1.832 ( 1.687 2.338 -9.219) 9.659 1.968 ( 2.021 -2.425 1.190) 3.373 1.968 ( 2.021 2.425 1.190) 3.373 2.105 ( 1.127 -2.167 3.352) 4.147 2.105 ( 1.127 2.167 3.352) 4.147 2.318 ( -2.912 -5.387 -0.103) 6.125 2.318 ( -2.912 5.387 -0.103) 6.125 2.435 ( -0.749 -2.060 -2.305) 3.181 2.435 ( -0.749 2.060 -2.305) 3.181 2.531 ( 1.281 -0.866 1.582) 2.212 2.531 ( 1.281 0.866 1.582) 2.212 2.578 ( 1.083 -1.939 -0.206) 2.230 2.578 ( 1.083 1.939 -0.206) 2.230 2.605 ( 0.401 -0.639 0.978) 1.235 2.605 ( 0.401 0.639 0.978) 1.235 2.819 ( -0.865 -6.226 -3.381) 7.137 2.819 ( -0.865 6.226 -3.381) 7.137 2.943 ( -1.012 -3.839 7.603) 8.577 2.943 ( -1.012 3.839 7.603) 8.577 3.053 ( -0.267 -4.131 4.889) 6.406 3.053 ( -0.267 4.131 4.889) 6.406 3.371 ( 1.397 -1.206 0.492) 1.909 3.371 ( 1.397 1.206 0.492) 1.909 3.710 ( -1.581 -3.659 -5.389) 6.702 3.710 ( -1.581 3.659 -5.389) 6.702 4.172 ( 0.616 -0.625 -1.888) 2.082 4.172 ( 0.616 0.625 -1.888) 2.082 4.249 ( -0.461 -0.859 1.098) 1.468 4.249 ( -0.461 0.859 1.098) 1.468 6.612 ( -0.240 -0.469 -0.567) 0.774 6.612 ( -0.240 0.469 -0.567) 0.774 6.657 ( 0.443 -0.310 0.701) 0.885 6.657 ( 0.443 0.310 0.701) 0.885 7.021 ( 0.004 -0.346 0.411) 0.538 7.021 ( 0.004 0.346 0.411) 0.538 7.070 ( -0.181 -0.599 -0.588) 0.859 7.070 ( -0.181 0.599 -0.588) 0.859 7.148 ( -0.339 -0.918 1.139) 1.501 7.148 ( -0.339 0.918 1.139) 1.501 7.207 ( 0.609 -0.252 -0.309) 0.728 7.207 ( 0.609 0.252 -0.309) 0.728 7.910 ( 0.001 -0.437 0.662) 0.793 7.910 ( 0.001 0.437 0.662) 0.793 7.974 ( -0.085 -0.342 -0.661) 0.749 7.974 ( -0.085 0.342 -0.661) 0.749 8.211 ( -0.169 -0.234 0.494) 0.572 8.211 ( -0.169 0.234 0.494) 0.572 8.256 ( 0.022 -1.040 -0.068) 1.043 8.256 ( 0.022 1.040 -0.068) 1.043 8.713 ( -0.066 -0.043 -0.409) 0.416 8.713 ( -0.066 0.043 -0.409) 0.416 8.754 ( 0.173 -0.339 0.541) 0.662 8.754 ( 0.173 0.339 0.541) 0.662 9.012 ( -0.450 -0.781 0.376) 0.977 9.012 ( -0.450 0.781 0.376) 0.977 9.051 ( 0.347 -1.235 -0.404) 1.345 9.051 ( 0.347 1.235 -0.404) 1.345 9.610 ( 0.050 -0.045 0.446) 0.451 9.610 ( 0.050 0.045 0.446) 0.451 9.658 ( -0.249 -0.338 -0.511) 0.661 9.658 ( -0.249 0.338 -0.511) 0.661 11.442 ( -0.084 -0.177 -0.036) 0.199 11.442 ( -0.084 0.177 -0.036) 0.199 11.472 ( 0.021 -0.464 -0.014) 0.465 11.472 ( 0.021 0.464 -0.014) 0.465 12.266 ( -0.235 -0.356 0.138) 0.449 12.266 ( -0.235 0.356 0.138) 0.449 12.290 ( 0.035 -0.099 -0.066) 0.124 12.290 ( 0.035 0.099 -0.066) 0.124 12.487 ( 0.333 -0.194 0.352) 0.522 12.487 ( 0.333 0.194 0.352) 0.522 12.509 ( -0.259 -0.145 -0.030) 0.298 12.509 ( -0.259 0.145 -0.030) 0.298 12.646 ( 0.262 -0.286 0.712) 0.811 12.646 ( 0.262 0.286 0.712) 0.811 12.717 ( -0.471 -0.148 -0.751) 0.899 12.717 ( -0.471 0.148 -0.751) 0.899 13.060 ( 0.082 -0.264 0.252) 0.374 13.060 ( 0.082 0.264 0.252) 0.374 13.093 ( -0.109 -0.148 -0.412) 0.451 13.093 ( -0.109 0.148 -0.412) 0.451 13.346 ( 0.212 -0.546 0.587) 0.829 13.346 ( 0.212 0.546 0.587) 0.829 13.399 ( -0.145 -0.533 -0.410) 0.688 13.399 ( -0.145 0.533 -0.410) 0.688 13.563 ( 0.305 -0.585 0.349) 0.747 13.563 ( 0.305 0.585 0.349) 0.747 13.613 ( -0.272 -0.515 -0.612) 0.844 13.613 ( -0.272 0.515 -0.612) 0.844 ======================= Grid point 65 (35/69) ======================= q-point: ( 0.11 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 4.874 -5.858 11.875) 14.110 0.799 ( 4.874 5.858 11.875) 14.110 0.989 ( 3.393 -8.841 6.358) 11.406 0.989 ( 3.393 8.841 6.358) 11.406 1.364 ( -2.338 -6.023 -7.198) 9.672 1.364 ( -2.338 6.023 -7.198) 9.672 1.438 ( 0.104 -0.773 -8.700) 8.735 1.438 ( 0.104 0.773 -8.700) 8.735 1.546 ( 10.405 -5.006 -1.628) 11.661 1.546 ( 10.405 5.006 -1.628) 11.661 1.731 ( -0.484 -1.447 3.047) 3.408 1.731 ( -0.484 1.447 3.047) 3.408 1.783 ( 1.846 -1.010 -4.260) 4.751 1.783 ( 1.846 1.010 -4.260) 4.751 2.039 ( 1.845 -2.660 0.503) 3.276 2.039 ( 1.845 2.660 0.503) 3.276 2.102 ( 0.110 -5.204 0.643) 5.245 2.102 ( 0.110 5.204 0.643) 5.245 2.276 ( -3.266 -4.030 1.414) 5.376 2.276 ( -3.266 4.030 1.414) 5.376 2.415 ( 0.355 -1.538 0.497) 1.655 2.415 ( 0.355 1.538 0.497) 1.655 2.517 ( -4.558 -2.026 0.248) 4.994 2.517 ( -4.558 2.026 0.248) 4.994 2.572 ( 1.234 -2.536 -0.415) 2.850 2.572 ( 1.234 2.536 -0.415) 2.850 2.693 ( 5.829 -3.872 1.129) 7.088 2.693 ( 5.829 3.872 1.129) 7.088 2.793 ( 1.408 -1.934 -1.255) 2.701 2.793 ( 1.408 1.934 -1.255) 2.701 2.981 ( -3.309 -2.779 6.298) 7.638 2.981 ( -3.309 2.779 6.298) 7.638 3.090 ( -1.253 -4.237 3.526) 5.652 3.090 ( -1.253 4.237 3.526) 5.652 3.396 ( -0.084 -2.363 -0.412) 2.400 3.396 ( -0.084 2.363 -0.412) 2.400 3.577 ( -6.043 -0.209 -3.519) 6.997 3.577 ( -6.043 0.209 -3.519) 6.997 4.159 ( 0.152 -1.004 -1.593) 1.889 4.159 ( 0.152 1.004 -1.593) 1.889 4.245 ( -1.248 -0.610 0.972) 1.695 4.245 ( -1.248 0.610 0.972) 1.695 6.602 ( -0.371 -0.581 -0.225) 0.726 6.602 ( -0.371 0.581 -0.225) 0.726 6.667 ( -0.027 -0.139 0.292) 0.324 6.667 ( -0.027 0.139 0.292) 0.324 7.029 ( 0.175 -1.006 0.524) 1.148 7.029 ( 0.175 1.006 0.524) 1.148 7.065 ( 0.702 -0.690 -0.584) 1.144 7.065 ( 0.702 0.690 -0.584) 1.144 7.143 ( -1.240 -0.994 0.691) 1.733 7.143 ( -1.240 0.994 0.691) 1.733 7.210 ( -0.031 -0.715 -0.553) 0.904 7.210 ( -0.031 0.715 -0.553) 0.904 7.923 ( 0.140 -0.801 1.069) 1.343 7.923 ( 0.140 0.801 1.069) 1.343 7.964 ( 0.095 -0.569 -0.845) 1.023 7.964 ( 0.095 0.569 -0.845) 1.023 8.195 ( -2.317 -0.274 0.463) 2.379 8.195 ( -2.317 0.274 0.463) 2.379 8.237 ( -1.914 -0.899 0.004) 2.115 8.237 ( -1.914 0.899 0.004) 2.115 8.705 ( -0.358 -0.459 -0.286) 0.648 8.705 ( -0.358 0.459 -0.286) 0.648 8.760 ( -0.127 -0.235 0.421) 0.498 8.760 ( -0.127 0.235 0.421) 0.498 9.018 ( 0.673 -0.910 0.353) 1.186 9.018 ( 0.673 0.910 0.353) 1.186 9.062 ( 1.330 -1.098 -0.368) 1.764 9.062 ( 1.330 1.098 -0.368) 1.764 9.619 ( 0.274 -0.085 0.616) 0.679 9.619 ( 0.274 0.085 0.616) 0.679 9.652 ( 0.320 -0.110 -0.594) 0.684 9.652 ( 0.320 0.110 -0.594) 0.684 11.437 ( -0.357 -0.023 0.009) 0.358 11.437 ( -0.357 0.023 0.009) 0.358 11.470 ( -0.209 -0.635 0.028) 0.670 11.470 ( -0.209 0.635 0.028) 0.670 12.265 ( -0.006 -0.182 0.148) 0.235 12.265 ( -0.006 0.182 0.148) 0.235 12.293 ( 0.447 -0.164 0.007) 0.476 12.293 ( 0.447 0.164 0.007) 0.476 12.503 ( 0.554 -0.072 0.047) 0.561 12.503 ( 0.554 0.072 0.047) 0.561 12.508 ( 0.567 -0.109 0.165) 0.600 12.508 ( 0.567 0.109 0.165) 0.600 12.665 ( 0.609 -0.407 1.252) 1.451 12.665 ( 0.609 0.407 1.252) 1.451 12.695 ( -0.665 -0.140 -1.202) 1.381 12.695 ( -0.665 0.140 -1.202) 1.381 13.070 ( 0.568 -0.278 0.213) 0.667 13.070 ( 0.568 0.278 0.213) 0.667 13.098 ( 1.208 -0.399 -0.232) 1.293 13.098 ( 1.208 0.399 -0.232) 1.293 13.361 ( 0.576 -0.377 0.646) 0.944 13.361 ( 0.576 0.377 0.646) 0.944 13.393 ( 0.149 -0.330 -0.535) 0.646 13.393 ( 0.149 0.330 -0.535) 0.646 13.571 ( -0.224 -0.178 0.728) 0.783 13.571 ( -0.224 0.178 0.728) 0.783 13.589 ( -1.348 -0.257 -0.927) 1.656 13.589 ( -1.348 0.257 -0.927) 1.656 ======================= Grid point 67 (36/69) ======================= q-point: ( 0.22 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 2.286 -2.165 13.323) 13.690 1.026 ( 2.286 2.165 13.323) 13.690 1.151 ( 5.620 -1.918 -0.549) 5.963 1.151 ( 5.620 1.918 -0.549) 5.963 1.222 ( 0.954 -1.484 -5.425) 5.704 1.222 ( 0.954 1.484 -5.425) 5.704 1.372 ( 6.156 -1.446 -8.002) 10.199 1.372 ( 6.156 1.446 -8.002) 10.199 1.658 ( 0.663 -1.755 -1.045) 2.148 1.658 ( 0.663 1.755 -1.045) 2.148 1.722 ( 0.762 -5.183 0.326) 5.248 1.722 ( 0.762 5.183 0.326) 5.248 1.826 ( 3.163 -2.724 1.733) 4.520 1.826 ( 3.163 2.724 1.733) 4.520 1.977 ( -1.918 -3.310 -4.526) 5.927 1.977 ( -1.918 3.310 -4.526) 5.927 2.184 ( -0.784 -5.621 0.995) 5.762 2.184 ( -0.784 5.621 0.995) 5.762 2.259 ( 4.241 -3.300 1.231) 5.513 2.259 ( 4.241 3.300 1.231) 5.513 2.376 ( -6.955 -1.838 -0.260) 7.198 2.376 ( -6.955 1.838 -0.260) 7.198 2.446 ( -3.276 -0.779 1.280) 3.603 2.446 ( -3.276 0.779 1.280) 3.603 2.616 ( 4.803 -4.885 -2.833) 7.413 2.616 ( 4.803 4.885 -2.833) 7.413 2.789 ( 5.564 -2.012 0.360) 5.927 2.789 ( 5.564 2.012 0.360) 5.927 2.842 ( 1.344 -6.969 1.622) 7.280 2.842 ( 1.344 6.969 1.622) 7.280 2.994 ( -1.353 -2.745 5.356) 6.169 2.994 ( -1.353 2.745 5.356) 6.169 3.078 ( -2.743 -3.984 0.409) 4.854 3.078 ( -2.743 3.984 0.409) 4.854 3.329 ( -4.245 -2.802 -2.204) 5.544 3.329 ( -4.245 2.802 -2.204) 5.544 3.482 ( -3.678 -2.144 0.550) 4.293 3.482 ( -3.678 2.144 0.550) 4.293 4.144 ( -0.093 -1.280 -1.097) 1.689 4.144 ( -0.093 1.280 -1.097) 1.689 4.230 ( -1.547 -0.484 0.768) 1.794 4.230 ( -1.547 0.484 0.768) 1.794 6.595 ( -0.418 -0.645 0.206) 0.796 6.595 ( -0.418 0.645 0.206) 0.796 6.662 ( -0.441 -0.152 -0.403) 0.617 6.662 ( -0.441 0.152 -0.403) 0.617 7.034 ( 0.061 -1.153 -0.133) 1.162 7.034 ( 0.061 1.153 -0.133) 1.162 7.081 ( 1.148 -1.147 0.136) 1.629 7.081 ( 1.148 1.147 0.136) 1.629 7.128 ( -1.006 -0.699 0.363) 1.277 7.128 ( -1.006 0.699 0.363) 1.277 7.196 ( -0.628 -0.734 -0.596) 1.135 7.196 ( -0.628 0.734 -0.596) 1.135 7.922 ( -1.488 -0.436 0.336) 1.587 7.922 ( -1.488 0.436 0.336) 1.587 7.960 ( -0.109 -0.522 -0.405) 0.670 7.960 ( -0.109 0.522 -0.405) 0.670 8.153 ( -2.743 -0.260 0.709) 2.845 8.153 ( -2.743 0.260 0.709) 2.845 8.201 ( -2.016 -0.895 0.034) 2.206 8.201 ( -2.016 0.895 0.034) 2.206 8.695 ( -0.529 -0.822 -0.144) 0.988 8.695 ( -0.529 0.822 -0.144) 0.988 8.758 ( -0.321 -0.095 0.079) 0.344 8.758 ( -0.321 0.095 0.079) 0.344 9.042 ( 1.469 -0.937 0.449) 1.800 9.042 ( 1.469 0.937 0.449) 1.800 9.085 ( 1.667 -0.770 -0.379) 1.875 9.085 ( 1.667 0.770 -0.379) 1.875 9.629 ( 0.294 -0.098 0.217) 0.378 9.629 ( 0.294 0.098 0.217) 0.378 9.659 ( 0.825 -0.492 0.046) 0.962 9.659 ( 0.825 0.492 0.046) 0.962 11.430 ( -0.473 -0.140 0.040) 0.495 11.430 ( -0.473 0.140 0.040) 0.495 11.466 ( -0.335 -0.609 0.056) 0.697 11.466 ( -0.335 0.609 0.056) 0.697 12.269 ( 0.214 -0.345 0.143) 0.430 12.269 ( 0.214 0.345 0.143) 0.430 12.304 ( 0.635 -0.286 0.072) 0.700 12.304 ( 0.635 0.286 0.072) 0.700 12.506 ( 0.514 -0.364 -0.395) 0.744 12.506 ( 0.514 0.364 -0.395) 0.744 12.529 ( 0.936 -0.045 0.303) 0.985 12.529 ( 0.936 0.045 0.303) 0.985 12.668 ( -0.554 -0.176 -0.937) 1.103 12.668 ( -0.554 0.176 -0.937) 1.103 12.695 ( 0.712 -0.300 1.228) 1.451 12.695 ( 0.712 0.300 1.228) 1.451 13.081 ( 0.859 -0.341 -0.251) 0.958 13.081 ( 0.859 0.341 -0.251) 0.958 13.127 ( 1.933 -0.461 0.249) 2.003 13.127 ( 1.933 0.461 0.249) 2.003 13.371 ( 0.365 -0.064 -0.389) 0.537 13.371 ( 0.365 0.064 -0.389) 0.537 13.400 ( 0.867 -0.174 0.313) 0.938 13.400 ( 0.867 0.174 0.313) 0.938 13.552 ( -1.650 -0.086 -0.736) 1.809 13.552 ( -1.650 0.086 -0.736) 1.809 13.569 ( -0.921 -0.263 0.644) 1.154 13.569 ( -0.921 0.263 0.644) 1.154 ======================= Grid point 69 (37/69) ======================= q-point: ( 0.33 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -2.521 -0.980 1.016) 2.889 1.051 ( -2.521 0.980 1.016) 2.889 1.217 ( 4.902 -2.926 2.020) 6.056 1.217 ( 4.902 2.926 2.020) 6.056 1.301 ( 5.595 -3.343 -2.955) 7.157 1.301 ( 5.595 3.343 -2.955) 7.157 1.510 ( 9.800 -3.621 2.020) 10.641 1.510 ( 9.800 3.621 2.020) 10.641 1.619 ( -2.684 -5.037 1.982) 6.042 1.619 ( -2.684 5.037 1.982) 6.042 1.731 ( -1.459 -2.960 1.620) 3.677 1.731 ( -1.459 2.960 1.620) 3.677 1.856 ( 0.637 -2.407 -1.557) 2.936 1.856 ( 0.637 2.407 -1.557) 2.936 1.965 ( 1.647 -1.693 0.120) 2.365 1.965 ( 1.647 1.693 0.120) 2.365 2.105 ( -5.140 -3.278 -1.387) 6.252 2.105 ( -5.140 3.278 -1.387) 6.252 2.248 ( -5.658 -3.292 -0.095) 6.546 2.248 ( -5.658 3.292 -0.095) 6.546 2.351 ( 3.826 -3.272 -3.105) 5.915 2.351 ( 3.826 3.272 -3.105) 5.915 2.429 ( -1.582 -1.685 1.925) 3.008 2.429 ( -1.582 1.685 1.925) 3.008 2.638 ( 4.289 -7.562 -4.769) 9.916 2.638 ( 4.289 7.562 -4.769) 9.916 2.815 ( -1.441 -3.958 -0.312) 4.224 2.815 ( -1.441 3.958 -0.312) 4.224 2.910 ( 2.539 -2.108 2.177) 3.954 2.910 ( 2.539 2.108 2.177) 3.954 3.018 ( -2.463 -3.795 -1.770) 4.859 3.018 ( -2.463 3.795 -1.770) 4.859 3.057 ( 2.244 -1.724 2.052) 3.495 3.057 ( 2.244 1.724 2.052) 3.495 3.273 ( -1.124 -3.364 1.504) 3.852 3.273 ( -1.124 3.364 1.504) 3.852 3.421 ( -3.807 -1.024 -0.414) 3.964 3.421 ( -3.807 1.024 -0.414) 3.964 4.134 ( 0.005 -1.381 -0.320) 1.417 4.134 ( 0.005 1.381 -0.320) 1.417 4.213 ( -1.265 -0.366 0.620) 1.456 4.213 ( -1.265 0.366 0.620) 1.456 6.591 ( -0.509 -0.462 0.354) 0.773 6.591 ( -0.509 0.462 0.354) 0.773 6.648 ( -0.279 -0.460 -0.709) 0.890 6.648 ( -0.279 0.460 -0.709) 0.890 7.028 ( -0.267 -0.258 -0.459) 0.591 7.028 ( -0.267 0.258 -0.459) 0.591 7.095 ( 0.256 -0.483 -0.123) 0.560 7.095 ( 0.256 0.483 -0.123) 0.560 7.123 ( 0.221 -0.508 0.055) 0.557 7.123 ( 0.221 0.508 0.055) 0.557 7.184 ( -0.413 -0.322 0.165) 0.549 7.184 ( -0.413 0.322 0.165) 0.549 7.884 ( -2.762 -0.690 0.064) 2.847 7.884 ( -2.762 0.690 0.064) 2.847 7.942 ( -1.197 -1.691 -0.467) 2.124 7.942 ( -1.197 1.691 -0.467) 2.124 8.124 ( -1.671 -0.080 0.678) 1.805 8.124 ( -1.671 0.080 0.678) 1.805 8.178 ( -0.476 -0.970 -0.220) 1.103 8.178 ( -0.476 0.970 -0.220) 1.103 8.685 ( -0.484 -1.041 0.053) 1.149 8.685 ( -0.484 1.041 0.053) 1.149 8.752 ( -0.270 -0.096 -0.326) 0.434 8.752 ( -0.270 0.096 -0.326) 0.434 9.073 ( 1.371 -0.710 0.467) 1.613 9.073 ( 1.371 0.710 0.467) 1.613 9.107 ( 1.347 -0.445 -0.381) 1.468 9.107 ( 1.347 0.445 -0.381) 1.468 9.635 ( 0.321 -0.136 -0.191) 0.397 9.635 ( 0.321 0.136 -0.191) 0.397 9.676 ( 0.645 -0.696 0.430) 1.042 9.676 ( 0.645 0.696 0.430) 1.042 11.423 ( -0.415 -0.241 0.019) 0.480 11.423 ( -0.415 0.241 0.019) 0.480 11.460 ( -0.325 -0.542 0.042) 0.633 11.460 ( -0.325 0.542 0.042) 0.633 12.273 ( 0.159 -0.689 0.064) 0.711 12.273 ( 0.159 0.689 0.064) 0.711 12.314 ( 0.538 -0.326 -0.148) 0.647 12.314 ( 0.538 0.326 -0.148) 0.647 12.513 ( 0.553 -0.612 -0.139) 0.837 12.513 ( 0.553 0.612 -0.139) 0.837 12.544 ( 0.621 -0.010 0.037) 0.622 12.544 ( 0.621 0.010 0.037) 0.622 12.654 ( -0.161 -0.139 -0.406) 0.459 12.654 ( -0.161 0.139 -0.406) 0.459 12.717 ( 0.340 -0.204 0.730) 0.831 12.717 ( 0.340 0.204 0.730) 0.831 13.095 ( 0.919 -0.448 -0.080) 1.026 13.095 ( 0.919 0.448 -0.080) 1.026 13.161 ( 1.528 -0.418 0.067) 1.586 13.161 ( 1.528 0.418 0.067) 1.586 13.371 ( 0.363 -0.383 -0.435) 0.684 13.371 ( 0.363 0.383 -0.435) 0.684 13.423 ( 1.194 -0.703 0.374) 1.435 13.423 ( 1.194 0.703 0.374) 1.435 13.521 ( -1.290 -0.264 -0.208) 1.333 13.521 ( -1.290 0.264 -0.208) 1.333 13.553 ( -1.360 -0.328 0.147) 1.406 13.553 ( -1.360 0.328 0.147) 1.406 ======================= Grid point 71 (38/69) ======================= q-point: ( 0.44 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -2.071 -2.408 3.734) 4.902 1.048 ( -2.071 2.408 3.734) 4.902 1.281 ( 1.417 -2.485 0.510) 2.906 1.281 ( 1.417 2.485 0.510) 2.906 1.379 ( 5.554 -5.882 0.540) 8.108 1.379 ( 5.554 5.882 0.540) 8.108 1.567 ( -1.660 -2.684 -1.441) 3.469 1.567 ( -1.660 2.684 -1.441) 3.469 1.671 ( 2.225 -7.293 2.692) 8.087 1.671 ( 2.225 7.293 2.692) 8.087 1.766 ( -0.655 -1.758 3.166) 3.681 1.766 ( -0.655 1.758 3.166) 3.681 1.865 ( 1.856 -1.514 1.818) 3.007 1.865 ( 1.856 1.514 1.818) 3.007 1.916 ( -4.018 -4.218 0.245) 5.830 1.916 ( -4.018 4.218 0.245) 5.830 2.060 ( -0.167 -3.537 -1.102) 3.708 2.060 ( -0.167 3.537 -1.102) 3.708 2.190 ( -0.888 -4.199 -0.956) 4.397 2.190 ( -0.888 4.199 -0.956) 4.397 2.353 ( -0.953 -2.936 -3.498) 4.665 2.353 ( -0.953 2.936 -3.498) 4.665 2.399 ( 1.809 -1.858 0.710) 2.688 2.399 ( 1.809 1.858 0.710) 2.688 2.695 ( 3.227 -7.860 -0.810) 8.536 2.695 ( 3.227 7.860 -0.810) 8.536 2.791 ( -0.010 -1.149 -2.019) 2.323 2.791 ( -0.010 1.149 -2.019) 2.323 2.917 ( 0.688 -2.881 -1.539) 3.338 2.917 ( 0.688 2.881 -1.539) 3.338 2.968 ( -2.183 -2.075 -1.603) 3.412 2.968 ( -2.183 2.075 -1.603) 3.412 3.089 ( 0.351 -0.440 -0.867) 1.034 3.089 ( 0.351 0.440 -0.867) 1.034 3.288 ( -1.698 -5.707 0.612) 5.985 3.288 ( -1.698 5.707 0.612) 5.985 3.366 ( -0.326 -0.716 0.572) 0.973 3.366 ( -0.326 0.716 0.572) 0.973 4.138 ( 0.323 -1.420 0.529) 1.549 4.138 ( 0.323 1.420 0.529) 1.549 4.201 ( -0.786 -0.103 0.475) 0.924 4.201 ( -0.786 0.103 0.475) 0.924 6.584 ( -0.452 -0.214 0.075) 0.506 6.584 ( -0.452 0.214 0.075) 0.506 6.641 ( 0.267 -0.446 -0.466) 0.698 6.641 ( 0.267 0.446 -0.466) 0.698 7.022 ( 0.167 -0.789 -0.161) 0.823 7.022 ( 0.167 0.789 -0.161) 0.823 7.096 ( 0.179 -0.471 -0.099) 0.514 7.096 ( 0.179 0.471 -0.099) 0.514 7.125 ( 0.063 -1.171 -0.461) 1.260 7.125 ( 0.063 1.171 -0.461) 1.260 7.181 ( -0.291 -0.199 0.369) 0.510 7.181 ( -0.291 0.199 0.369) 0.510 7.847 ( -1.329 -0.856 0.285) 1.606 7.847 ( -1.329 0.856 0.285) 1.606 7.918 ( -0.688 -2.274 -0.521) 2.432 7.918 ( -0.688 2.274 -0.521) 2.432 8.107 ( -0.756 -0.559 0.002) 0.940 8.107 ( -0.756 0.559 0.002) 0.940 8.172 ( 0.054 -0.716 -0.579) 0.922 8.172 ( 0.054 0.716 -0.579) 0.922 8.681 ( -0.181 -1.159 0.323) 1.217 8.681 ( -0.181 1.159 0.323) 1.217 8.743 ( -0.011 -0.242 -0.673) 0.715 8.743 ( -0.011 0.242 -0.673) 0.715 9.093 ( 0.344 -0.305 0.264) 0.530 9.093 ( 0.344 0.305 0.264) 0.530 9.122 ( 0.699 -0.378 -0.165) 0.812 9.122 ( 0.699 0.378 -0.165) 0.812 9.636 ( 0.146 -0.260 -0.409) 0.506 9.636 ( 0.146 0.260 -0.409) 0.506 9.687 ( 0.090 -0.770 0.382) 0.865 9.687 ( 0.090 0.770 0.382) 0.865 11.418 ( -0.172 -0.215 -0.014) 0.276 11.418 ( -0.172 0.215 -0.014) 0.276 11.456 ( -0.156 -0.609 0.015) 0.629 11.456 ( -0.156 0.609 0.015) 0.629 12.275 ( 0.026 -0.896 0.016) 0.897 12.275 ( 0.026 0.896 0.016) 0.897 12.317 ( 0.218 -0.289 -0.523) 0.636 12.317 ( 0.218 0.289 -0.523) 0.636 12.521 ( 0.290 -0.611 0.185) 0.701 12.521 ( 0.290 0.611 0.185) 0.701 12.552 ( 0.261 -0.084 0.031) 0.276 12.552 ( 0.261 0.084 0.031) 0.276 12.654 ( 0.234 -0.163 0.290) 0.406 12.654 ( 0.234 0.163 0.290) 0.406 12.720 ( -0.330 -0.157 -0.192) 0.413 12.720 ( -0.330 0.157 -0.192) 0.413 13.110 ( 0.517 -0.624 0.407) 0.907 13.110 ( 0.517 0.624 0.407) 0.907 13.177 ( 0.471 -0.475 -0.340) 0.751 13.177 ( 0.471 0.475 -0.340) 0.751 13.378 ( 0.518 -0.342 0.319) 0.698 13.378 ( 0.518 0.342 0.319) 0.698 13.442 ( 0.536 -0.734 -0.148) 0.921 13.442 ( 0.536 0.734 -0.148) 0.921 13.503 ( -0.735 -0.087 0.089) 0.746 13.503 ( -0.735 0.087 0.089) 0.746 13.533 ( -0.662 -0.033 -0.258) 0.711 13.533 ( -0.662 0.033 -0.258) 0.711 ======================= Grid point 73 (39/69) ======================= q-point: (-0.44 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -3.065 -3.821 5.235) 7.170 1.055 ( -3.065 3.821 5.235) 7.170 1.309 ( 0.329 -3.676 1.957) 4.178 1.309 ( 0.329 3.676 1.957) 4.178 1.449 ( -5.267 -2.195 1.024) 5.797 1.449 ( -5.267 2.195 1.024) 5.797 1.508 ( 1.836 -6.255 -0.810) 6.569 1.508 ( 1.836 6.255 -0.810) 6.569 1.666 ( -1.221 -1.256 1.868) 2.561 1.666 ( -1.221 1.256 1.868) 2.561 1.782 ( -2.729 -0.746 0.924) 2.976 1.782 ( -2.729 0.746 0.924) 2.976 1.868 ( -3.229 -1.787 0.269) 3.700 1.868 ( -3.229 1.787 0.269) 3.700 1.929 ( 4.800 -1.694 2.004) 5.470 1.929 ( 4.800 1.694 2.004) 5.470 2.103 ( 4.342 -1.762 0.547) 4.718 2.103 ( 4.342 1.762 0.547) 4.718 2.180 ( 1.429 -1.203 -0.876) 2.063 2.180 ( 1.429 1.203 -0.876) 2.063 2.300 ( 0.114 -2.965 -3.246) 4.398 2.300 ( 0.114 2.965 -3.246) 4.398 2.473 ( 1.673 -1.505 1.916) 2.956 2.473 ( 1.673 1.505 1.916) 2.956 2.690 ( -0.402 -6.109 -1.450) 6.291 2.690 ( -0.402 6.109 -1.450) 6.291 2.771 ( 0.936 -1.149 -2.884) 3.242 2.771 ( 0.936 1.149 -2.884) 3.242 2.875 ( -2.913 -0.718 -3.522) 4.627 2.875 ( -2.913 0.718 -3.522) 4.627 2.967 ( 0.996 -0.747 -0.287) 1.277 2.967 ( 0.996 0.747 -0.287) 1.277 3.030 ( -3.365 -1.794 -2.678) 4.659 3.030 ( -3.365 1.794 -2.678) 4.659 3.252 ( 0.238 -3.164 0.179) 3.178 3.252 ( 0.238 3.164 0.179) 3.178 3.407 ( 1.870 -0.401 1.254) 2.287 3.407 ( 1.870 0.401 1.254) 2.287 4.154 ( 0.575 -1.520 0.794) 1.808 4.154 ( 0.575 1.520 0.794) 1.808 4.196 ( -0.324 -0.423 0.395) 0.663 4.196 ( -0.324 0.423 0.395) 0.663 6.580 ( -0.004 -0.307 -0.025) 0.308 6.580 ( -0.004 0.307 -0.025) 0.308 6.644 ( 0.595 -0.070 -0.385) 0.712 6.644 ( 0.595 0.070 -0.385) 0.712 7.029 ( 0.501 -0.747 0.110) 0.906 7.029 ( 0.501 0.747 0.110) 0.906 7.095 ( -0.187 -0.297 -0.092) 0.363 7.095 ( -0.187 0.297 -0.092) 0.363 7.116 ( -0.215 -1.218 -0.758) 1.451 7.116 ( -0.215 1.218 -0.758) 1.451 7.184 ( 0.249 -0.675 0.380) 0.814 7.184 ( 0.249 0.675 0.380) 0.814 7.851 ( 1.229 -0.862 0.394) 1.552 7.851 ( 1.229 0.862 0.394) 1.552 7.915 ( 1.102 -1.788 -0.623) 2.191 7.915 ( 1.102 1.788 -0.623) 2.191 8.099 ( -0.016 -0.815 -0.140) 0.827 8.099 ( -0.016 0.815 -0.140) 0.827 8.165 ( 0.049 -0.695 -0.735) 1.012 8.165 ( 0.049 0.695 -0.735) 1.012 8.686 ( 0.162 -1.134 0.459) 1.234 8.686 ( 0.162 1.134 0.459) 1.234 8.737 ( 0.310 -0.420 -0.858) 1.005 8.737 ( 0.310 0.420 -0.858) 1.005 9.091 ( -0.865 -0.363 0.168) 0.953 9.091 ( -0.865 0.363 0.168) 0.953 9.125 ( -0.257 -0.344 -0.033) 0.431 9.125 ( -0.257 0.344 -0.033) 0.431 9.631 ( -0.121 -0.259 -0.468) 0.548 9.631 ( -0.121 0.259 -0.468) 0.548 9.687 ( -0.425 -0.578 0.354) 0.800 9.687 ( -0.425 0.578 0.354) 0.800 11.417 ( 0.157 -0.206 -0.017) 0.260 11.417 ( 0.157 0.206 -0.017) 0.260 11.456 ( 0.083 -0.652 0.000) 0.657 11.456 ( 0.083 0.652 0.000) 0.657 12.275 ( -0.114 -0.884 0.052) 0.892 12.275 ( -0.114 0.884 0.052) 0.892 12.311 ( -0.106 -0.336 -0.699) 0.783 12.311 ( -0.106 0.336 -0.699) 0.783 12.526 ( -0.062 -0.420 0.277) 0.507 12.526 ( -0.062 0.420 0.277) 0.507 12.552 ( -0.340 -0.121 0.076) 0.369 12.552 ( -0.340 0.121 0.076) 0.369 12.667 ( 0.497 -0.251 0.792) 0.968 12.667 ( 0.497 0.251 0.792) 0.968 12.703 ( -0.823 -0.069 -0.799) 1.149 12.703 ( -0.823 0.069 -0.799) 1.149 13.119 ( -0.301 -0.636 0.745) 1.024 13.119 ( -0.301 0.636 0.745) 1.024 13.169 ( -0.674 -0.610 -0.653) 1.119 13.169 ( -0.674 0.610 -0.653) 1.119 13.393 ( 0.183 -0.145 0.923) 0.952 13.393 ( 0.183 0.145 0.923) 0.952 13.429 ( -1.146 -0.559 -0.700) 1.454 13.429 ( -1.146 0.559 -0.700) 1.454 13.507 ( 0.948 -0.114 0.272) 0.993 13.507 ( 0.948 0.114 0.272) 0.993 13.528 ( 0.532 -0.129 -0.451) 0.709 13.528 ( 0.532 0.129 -0.451) 0.709 ======================= Grid point 75 (40/69) ======================= q-point: (-0.33 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -8.269 -6.537 5.396) 11.842 1.024 ( -8.269 6.537 5.396) 11.842 1.189 ( -11.812 -6.274 -4.266) 14.039 1.189 ( -11.812 6.274 -4.266) 14.039 1.425 ( 1.664 -4.241 3.809) 5.938 1.425 ( 1.664 4.241 3.809) 5.938 1.575 ( 1.497 -1.474 1.670) 2.683 1.575 ( 1.497 1.474 1.670) 2.683 1.688 ( -0.082 -3.113 1.118) 3.309 1.688 ( -0.082 3.113 1.118) 3.309 1.745 ( -0.560 -3.243 0.061) 3.291 1.745 ( -0.560 3.243 0.061) 3.291 1.830 ( -0.383 -2.026 3.373) 3.953 1.830 ( -0.383 2.026 3.373) 3.953 2.029 ( 3.838 -2.124 -1.789) 4.737 2.029 ( 3.838 2.124 -1.789) 4.737 2.141 ( -3.374 -2.096 -0.958) 4.086 2.141 ( -3.374 2.096 -0.958) 4.086 2.202 ( 6.341 -4.962 -0.765) 8.088 2.202 ( 6.341 4.962 -0.765) 8.088 2.320 ( 2.694 -2.036 -0.469) 3.409 2.320 ( 2.694 2.036 -0.469) 3.409 2.446 ( -4.727 -3.905 0.240) 6.136 2.446 ( -4.727 3.905 0.240) 6.136 2.655 ( -1.319 -6.715 -4.378) 8.124 2.655 ( -1.319 6.715 -4.378) 8.124 2.766 ( 1.400 -3.176 -1.941) 3.977 2.766 ( 1.400 3.176 -1.941) 3.977 2.798 ( -2.921 -0.366 -2.515) 3.872 2.798 ( -2.921 0.366 -2.515) 3.872 2.870 ( -2.812 -2.213 -0.690) 3.644 2.870 ( -2.812 2.213 -0.690) 3.644 3.026 ( -0.136 -0.147 0.004) 0.200 3.026 ( -0.136 0.147 0.004) 0.200 3.331 ( 6.166 -2.619 2.977) 7.331 3.331 ( 6.166 2.619 2.977) 7.331 3.438 ( 1.278 -1.875 -0.331) 2.293 3.438 ( 1.278 1.875 -0.331) 2.293 4.171 ( 0.816 -1.050 -0.086) 1.332 4.171 ( 0.816 1.050 -0.086) 1.332 4.200 ( 0.053 -0.756 0.826) 1.121 4.200 ( 0.053 0.756 0.826) 1.121 6.585 ( 0.518 -0.571 0.191) 0.794 6.585 ( 0.518 0.571 0.191) 0.794 6.649 ( 0.540 -0.292 -0.622) 0.874 6.649 ( 0.540 0.292 -0.622) 0.874 7.029 ( -0.320 -0.535 -0.581) 0.852 7.029 ( -0.320 0.535 -0.581) 0.852 7.095 ( -0.079 -0.381 -0.486) 0.622 7.095 ( -0.079 0.381 -0.486) 0.622 7.104 ( -0.008 -1.227 0.233) 1.249 7.104 ( -0.008 1.227 0.233) 1.249 7.199 ( 0.820 -0.907 0.378) 1.279 7.199 ( 0.820 0.907 0.378) 1.279 7.885 ( 1.863 -0.797 0.046) 2.027 7.885 ( 1.863 0.797 0.046) 2.027 7.938 ( 2.048 -0.777 -0.534) 2.255 7.938 ( 2.048 0.777 -0.534) 2.255 8.110 ( 1.316 -0.467 0.470) 1.473 8.110 ( 1.316 0.467 0.470) 1.473 8.165 ( 0.978 -0.771 -0.548) 1.360 8.165 ( 0.978 0.771 -0.548) 1.360 8.696 ( 0.386 -0.864 0.450) 1.048 8.696 ( 0.386 0.864 0.450) 1.048 8.735 ( 0.524 -0.506 -0.858) 1.126 8.735 ( 0.524 0.506 -0.858) 1.126 9.071 ( -1.655 -0.599 0.338) 1.792 9.071 ( -1.655 0.599 0.338) 1.792 9.111 ( -1.146 -0.379 -0.201) 1.223 9.111 ( -1.146 0.379 -0.201) 1.223 9.622 ( -0.327 -0.140 -0.335) 0.489 9.622 ( -0.327 0.140 -0.335) 0.489 9.682 ( -0.637 -0.146 0.447) 0.792 9.682 ( -0.637 0.146 0.447) 0.792 11.422 ( 0.420 -0.277 0.022) 0.504 11.422 ( 0.420 0.277 0.022) 0.504 11.459 ( 0.264 -0.512 -0.003) 0.577 11.459 ( 0.264 0.512 -0.003) 0.577 12.273 ( -0.259 -0.658 0.142) 0.721 12.273 ( -0.259 0.658 0.142) 0.721 12.301 ( -0.212 -0.359 -0.513) 0.661 12.301 ( -0.212 0.359 -0.513) 0.661 12.523 ( -0.497 -0.180 -0.001) 0.528 12.523 ( -0.497 0.180 -0.001) 0.528 12.541 ( -0.967 -0.167 0.062) 0.983 12.541 ( -0.967 0.167 0.062) 0.983 12.671 ( -0.739 -0.097 -0.727) 1.041 12.671 ( -0.739 0.097 -0.727) 1.041 12.695 ( 0.492 -0.207 0.949) 1.089 12.695 ( 0.492 0.207 0.949) 1.089 13.112 ( -1.323 -0.254 0.341) 1.389 13.112 ( -1.323 0.254 0.341) 1.389 13.145 ( -1.223 -0.480 -0.324) 1.353 13.145 ( -1.223 0.480 -0.324) 1.353 13.385 ( -1.393 -0.471 -0.396) 1.523 13.385 ( -1.393 0.471 -0.396) 1.523 13.414 ( -0.357 -0.064 0.452) 0.580 13.414 ( -0.357 0.064 0.452) 0.580 13.531 ( 1.276 -0.065 -0.273) 1.307 13.531 ( 1.276 0.065 -0.273) 1.307 13.542 ( 1.633 -0.181 0.170) 1.652 13.542 ( 1.633 0.181 0.170) 1.652 ======================= Grid point 77 (41/69) ======================= q-point: (-0.22 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -9.635 -9.585 4.827) 14.422 0.896 ( -9.635 9.585 4.827) 14.422 0.972 ( -10.986 -9.455 -0.804) 14.516 0.972 ( -10.986 9.455 -0.804) 14.516 1.394 ( -4.211 -1.488 -4.929) 6.652 1.394 ( -4.211 1.488 -4.929) 6.652 1.589 ( -0.846 -2.422 -0.448) 2.604 1.589 ( -0.846 2.422 -0.448) 2.604 1.705 ( -0.739 -1.113 2.359) 2.711 1.705 ( -0.739 1.113 2.359) 2.711 1.765 ( 0.451 -2.760 1.399) 3.127 1.765 ( 0.451 2.760 1.399) 3.127 1.881 ( -1.804 -1.383 1.154) 2.549 1.881 ( -1.804 1.383 1.154) 2.549 2.004 ( -1.747 -5.040 -1.454) 5.529 2.004 ( -1.747 5.040 -1.454) 5.529 2.085 ( -0.561 -1.671 -0.730) 1.908 2.085 ( -0.561 1.671 -0.730) 1.908 2.278 ( -0.140 -7.354 1.246) 7.460 2.278 ( -0.140 7.354 1.246) 7.460 2.346 ( 6.311 -2.952 -3.063) 7.611 2.346 ( 6.311 2.952 -3.063) 7.611 2.410 ( 1.374 -3.662 -0.198) 3.916 2.410 ( 1.374 3.662 -0.198) 3.916 2.584 ( -0.099 -5.179 -3.874) 6.468 2.584 ( -0.099 5.179 -3.874) 6.468 2.707 ( -4.148 -4.099 -0.986) 5.914 2.707 ( -4.148 4.099 -0.986) 5.914 2.805 ( 1.562 -1.779 2.735) 3.618 2.805 ( 1.562 1.779 2.735) 3.618 2.875 ( 0.196 -0.368 2.381) 2.418 2.875 ( 0.196 0.368 2.381) 2.418 3.007 ( -1.526 -0.783 -0.231) 1.731 3.007 ( -1.526 0.783 -0.231) 1.731 3.403 ( -0.413 -2.324 -1.480) 2.786 3.403 ( -0.413 2.324 -1.480) 2.786 3.535 ( 9.396 -2.089 2.324) 9.903 3.535 ( 9.396 2.089 2.324) 9.903 4.179 ( 0.957 -0.300 -1.275) 1.622 4.179 ( 0.957 0.300 -1.275) 1.622 4.216 ( 0.338 -1.071 1.322) 1.735 4.216 ( 0.338 1.071 1.322) 1.735 6.601 ( 0.820 -0.646 0.481) 1.150 6.601 ( 0.820 0.646 0.481) 1.150 6.647 ( 0.190 -0.314 -0.835) 0.912 6.647 ( 0.190 0.314 -0.835) 0.912 7.017 ( -0.132 -0.421 -0.278) 0.522 7.017 ( -0.132 0.421 -0.278) 0.522 7.077 ( -0.519 -0.714 -0.689) 1.120 7.077 ( -0.519 0.714 -0.689) 1.120 7.122 ( 0.633 -1.132 0.755) 1.501 7.122 ( 0.633 1.132 0.755) 1.501 7.212 ( 0.389 -0.605 -0.140) 0.732 7.212 ( 0.389 0.605 -0.140) 0.732 7.904 ( 0.432 -0.816 -0.026) 0.924 7.904 ( 0.432 0.816 -0.026) 0.924 7.964 ( 1.395 -0.166 -0.292) 1.435 7.964 ( 1.395 0.166 -0.292) 1.435 8.152 ( 2.227 -0.168 0.824) 2.381 8.152 ( 2.227 0.168 0.824) 2.381 8.191 ( 2.653 -1.129 -0.301) 2.899 8.191 ( 2.653 1.129 -0.301) 2.899 8.708 ( 0.460 -0.342 0.289) 0.642 8.708 ( 0.460 0.342 0.289) 0.642 8.736 ( 0.554 -0.435 -0.546) 0.891 8.736 ( 0.554 0.435 -0.546) 0.891 9.045 ( -1.774 -0.636 0.554) 1.965 9.045 ( -1.774 0.636 0.554) 1.965 9.085 ( -1.383 -0.685 -0.433) 1.603 9.085 ( -1.383 0.685 -0.433) 1.603 9.613 ( -0.380 -0.010 -0.080) 0.388 9.613 ( -0.380 0.010 -0.080) 0.388 9.676 ( -0.623 -0.304 0.371) 0.786 9.676 ( -0.623 0.304 0.371) 0.786 11.431 ( 0.510 -0.354 0.078) 0.626 11.431 ( 0.510 0.354 0.078) 0.626 11.464 ( 0.328 -0.301 0.002) 0.445 11.464 ( 0.328 0.301 0.002) 0.445 12.270 ( -0.282 -0.411 0.219) 0.545 12.270 ( -0.282 0.411 0.219) 0.545 12.294 ( -0.168 -0.249 -0.138) 0.331 12.294 ( -0.168 0.249 -0.138) 0.331 12.508 ( -0.949 -0.082 -0.360) 1.018 12.508 ( -0.949 0.082 -0.360) 1.018 12.525 ( -0.904 -0.236 0.220) 0.960 12.525 ( -0.904 0.236 0.220) 0.960 12.650 ( -0.624 -0.142 -0.478) 0.799 12.650 ( -0.624 0.142 -0.478) 0.799 12.716 ( 0.470 -0.232 0.843) 0.992 12.716 ( 0.470 0.232 0.843) 0.992 13.084 ( -1.554 -0.612 -0.226) 1.686 13.084 ( -1.554 0.612 -0.226) 1.686 13.124 ( -1.217 -0.114 0.235) 1.244 13.124 ( -1.217 0.114 0.235) 1.244 13.358 ( -1.036 -0.504 -0.401) 1.219 13.358 ( -1.036 0.504 -0.401) 1.219 13.411 ( -0.465 -0.453 0.269) 0.703 13.411 ( -0.465 0.453 0.269) 0.703 13.544 ( 0.871 -0.491 -0.415) 1.082 13.544 ( 0.871 0.491 -0.415) 1.082 13.580 ( 1.964 -0.425 0.392) 2.047 13.580 ( 1.964 0.425 0.392) 2.047 ======================= Grid point 79 (42/69) ======================= q-point: (-0.11 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -10.126 -13.051 -1.245) 16.566 0.762 ( -10.126 13.051 -1.245) 16.566 0.924 ( 3.997 -18.851 7.675) 20.742 0.924 ( 3.997 18.851 7.675) 20.742 1.223 ( -8.119 -3.830 -3.938) 9.803 1.223 ( -8.119 3.830 -3.938) 9.803 1.559 ( -2.388 -1.715 -1.797) 3.446 1.559 ( -2.388 1.715 -1.797) 3.446 1.605 ( -8.078 -6.440 1.858) 10.497 1.605 ( -8.078 6.440 1.858) 10.497 1.768 ( -1.326 -6.633 -0.185) 6.767 1.768 ( -1.326 6.633 -0.185) 6.767 1.878 ( 2.344 -1.358 -3.281) 4.255 1.878 ( 2.344 1.358 -3.281) 4.255 1.967 ( -0.525 -1.971 -2.649) 3.343 1.967 ( -0.525 1.971 -2.649) 3.343 2.057 ( -1.318 -6.087 1.184) 6.340 2.057 ( -1.318 6.087 1.184) 6.340 2.323 ( 2.205 -5.701 1.375) 6.265 2.323 ( 2.205 5.701 1.375) 6.265 2.433 ( 3.762 -2.827 -1.916) 5.081 2.433 ( 3.762 2.827 -1.916) 5.081 2.474 ( 5.700 -2.291 1.752) 6.388 2.474 ( 5.700 2.291 1.752) 6.388 2.546 ( 0.327 -2.405 -3.809) 4.516 2.546 ( 0.327 2.405 -3.809) 4.516 2.644 ( -4.428 -3.023 2.547) 5.935 2.644 ( -4.428 3.023 2.547) 5.935 2.857 ( 0.053 -3.488 2.752) 4.443 2.857 ( 0.053 3.488 2.752) 4.443 2.887 ( -1.053 -1.952 1.147) 2.497 2.887 ( -1.053 1.952 1.147) 2.497 3.003 ( -0.302 -3.286 3.837) 5.061 3.003 ( -0.302 3.286 3.837) 5.061 3.369 ( -0.612 -0.855 -1.422) 1.769 3.369 ( -0.612 0.855 -1.422) 1.769 3.701 ( 7.170 -4.795 -1.320) 8.726 3.701 ( 7.170 4.795 -1.320) 8.726 4.178 ( 0.965 -0.285 -1.766) 2.033 4.178 ( 0.965 0.285 -1.766) 2.033 4.237 ( 0.276 -1.118 1.236) 1.690 4.237 ( 0.276 1.118 1.236) 1.690 6.617 ( 0.349 -0.507 -0.006) 0.615 6.617 ( 0.349 0.507 -0.006) 0.615 6.644 ( 0.327 -0.128 -0.088) 0.363 6.644 ( 0.327 0.128 -0.088) 0.363 7.018 ( 0.003 -0.303 0.260) 0.399 7.018 ( 0.003 0.303 0.260) 0.399 7.072 ( 0.244 -0.867 0.034) 0.901 7.072 ( 0.244 0.867 0.034) 0.901 7.136 ( 0.192 -0.815 0.671) 1.073 7.136 ( 0.192 0.815 0.671) 1.073 7.209 ( -0.118 -0.094 -0.586) 0.605 7.209 ( -0.118 0.094 -0.586) 0.605 7.907 ( -0.113 -0.516 0.317) 0.616 7.907 ( -0.113 0.516 0.317) 0.616 7.977 ( 0.403 -0.217 -0.249) 0.521 7.977 ( 0.403 0.217 -0.249) 0.521 8.193 ( 1.549 -0.318 0.490) 1.656 8.193 ( 1.549 0.318 0.490) 1.656 8.236 ( 2.243 -1.172 -0.051) 2.531 8.236 ( 2.243 1.172 -0.051) 2.531 8.715 ( 0.279 -0.133 -0.222) 0.381 8.715 ( 0.279 0.133 -0.222) 0.381 8.743 ( 0.463 -0.306 0.208) 0.593 8.743 ( 0.463 0.306 0.208) 0.593 9.024 ( -1.366 -0.628 0.530) 1.595 9.024 ( -1.366 0.628 0.530) 1.595 9.060 ( -0.767 -1.064 -0.488) 1.400 9.060 ( -0.767 1.064 -0.488) 1.400 9.608 ( -0.244 -0.064 0.184) 0.312 9.608 ( -0.244 0.064 0.184) 0.312 9.668 ( -0.521 -0.508 -0.032) 0.728 9.668 ( -0.521 0.508 -0.032) 0.728 11.440 ( 0.322 -0.380 0.043) 0.500 11.440 ( 0.322 0.380 0.043) 0.500 11.469 ( 0.253 -0.248 -0.009) 0.354 11.469 ( 0.253 0.248 -0.009) 0.354 12.268 ( -0.220 -0.397 0.191) 0.493 12.268 ( -0.220 0.397 0.191) 0.493 12.291 ( -0.130 -0.090 0.057) 0.168 12.291 ( -0.130 0.090 0.057) 0.168 12.489 ( -0.664 -0.177 -0.133) 0.700 12.489 ( -0.664 0.177 -0.133) 0.700 12.515 ( -0.557 -0.157 0.185) 0.607 12.515 ( -0.557 0.157 0.185) 0.607 12.641 ( -0.191 -0.144 0.086) 0.255 12.641 ( -0.191 0.144 0.086) 0.255 12.725 ( -0.006 -0.224 0.084) 0.239 12.725 ( -0.006 0.224 0.084) 0.239 13.063 ( -0.654 -0.607 -0.020) 0.892 13.063 ( -0.654 0.607 -0.020) 0.892 13.106 ( -0.987 -0.235 -0.041) 1.016 13.106 ( -0.987 0.235 -0.041) 1.016 13.343 ( -0.418 -0.570 0.081) 0.712 13.343 ( -0.418 0.570 0.081) 0.712 13.406 ( -0.296 -0.649 -0.062) 0.716 13.406 ( -0.296 0.649 -0.062) 0.716 13.554 ( 0.652 -0.721 -0.114) 0.979 13.554 ( 0.652 0.721 -0.114) 0.979 13.610 ( 1.059 -0.562 -0.044) 1.199 13.610 ( 1.059 0.562 -0.044) 1.199 ======================= Grid point 90 (43/69) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 5.798 0.000 18.881) 19.751 0.745 ( 1.681 0.000 13.546) 13.650 1.012 ( 1.425 0.000 -11.254) 11.344 1.037 ( -4.919 0.000 -7.179) 8.702 1.101 ( -2.127 0.000 25.280) 25.369 1.196 ( 0.146 0.000 2.013) 2.018 1.268 ( -1.332 0.000 -11.498) 11.575 1.509 ( 0.879 0.000 -2.606) 2.750 1.574 ( 1.706 0.000 -5.689) 5.939 1.607 ( 1.802 0.000 -3.632) 4.054 1.643 ( -3.478 0.000 -0.923) 3.598 1.678 ( 3.039 0.000 -7.956) 8.517 1.906 ( -2.293 0.000 -2.624) 3.484 1.907 ( -4.395 0.000 -1.638) 4.690 1.936 ( 1.047 0.000 2.896) 3.079 2.019 ( 2.507 0.000 -3.617) 4.401 2.097 ( 1.446 0.000 6.860) 7.011 2.191 ( -1.797 0.000 2.236) 2.869 2.267 ( 5.534 0.000 2.014) 5.889 2.271 ( 0.380 0.000 -5.967) 5.979 2.383 ( -3.764 0.000 2.878) 4.739 2.457 ( 1.924 0.000 -4.420) 4.821 2.459 ( 3.999 0.000 0.871) 4.092 2.481 ( -3.639 0.000 -0.198) 3.644 2.511 ( 1.434 0.000 2.223) 2.645 2.560 ( -0.442 0.000 -1.667) 1.724 2.646 ( -1.664 0.000 0.606) 1.771 2.653 ( 0.040 0.000 0.196) 0.200 2.868 ( -2.837 0.000 2.996) 4.126 2.884 ( 3.036 0.000 1.179) 3.257 3.029 ( 2.270 0.000 3.083) 3.828 3.055 ( -2.971 0.000 0.913) 3.108 3.243 ( -0.233 0.000 3.436) 3.444 3.284 ( 0.000 0.000 0.667) 0.667 3.334 ( -2.146 0.000 0.581) 2.223 3.363 ( 0.266 0.000 -2.147) 2.163 3.498 ( 2.052 0.000 0.443) 2.099 3.510 ( -1.471 0.000 -0.899) 1.724 4.145 ( -0.654 0.000 0.145) 0.670 4.157 ( 0.819 0.000 -0.921) 1.233 4.259 ( -0.325 0.000 0.689) 0.762 4.270 ( 0.137 0.000 -0.462) 0.482 6.605 ( -0.504 0.000 0.284) 0.578 6.616 ( 0.456 0.000 -0.760) 0.886 6.658 ( 0.209 0.000 0.615) 0.649 6.665 ( 0.075 0.000 -0.061) 0.097 7.021 ( -0.412 0.000 0.482) 0.634 7.034 ( 0.069 0.000 -0.848) 0.851 7.077 ( 0.252 0.000 0.641) 0.688 7.087 ( -0.894 0.000 -0.544) 1.047 7.137 ( -0.633 0.000 1.343) 1.485 7.181 ( 0.559 0.000 -2.594) 2.653 7.192 ( -0.211 0.000 0.468) 0.513 7.203 ( 0.994 0.000 -0.517) 1.120 7.909 ( -0.120 0.000 0.929) 0.936 7.935 ( 0.036 0.000 -1.551) 1.551 7.947 ( 0.810 0.000 1.881) 2.048 7.975 ( -0.555 0.000 -0.819) 0.989 8.212 ( 0.522 0.000 0.229) 0.570 8.216 ( -0.478 0.000 -0.207) 0.521 8.250 ( -0.452 0.000 1.099) 1.189 8.268 ( 0.187 0.000 -0.637) 0.664 8.708 ( -0.692 0.000 -0.075) 0.696 8.710 ( 0.624 0.000 -0.242) 0.669 8.759 ( 0.127 0.000 0.505) 0.521 8.764 ( 0.104 0.000 0.006) 0.104 8.999 ( -0.795 0.000 0.284) 0.844 9.007 ( 0.660 0.000 -0.526) 0.844 9.051 ( -0.492 0.000 0.988) 1.104 9.070 ( 0.511 0.000 -0.810) 0.957 9.622 ( 0.302 0.000 0.728) 0.788 9.624 ( -0.247 0.000 0.548) 0.601 9.642 ( 0.363 0.000 -0.366) 0.515 9.648 ( -0.754 0.000 -1.028) 1.275 11.438 ( 0.241 0.000 -0.009) 0.241 11.440 ( -0.148 0.000 -0.085) 0.170 11.465 ( -0.584 0.000 0.696) 0.908 11.478 ( 0.418 0.000 -0.444) 0.610 12.269 ( -0.323 0.000 0.344) 0.472 12.274 ( -0.087 0.000 -0.312) 0.324 12.283 ( 0.573 0.000 0.016) 0.573 12.288 ( -0.678 0.000 -0.247) 0.722 12.492 ( 0.628 0.000 0.529) 0.821 12.500 ( 0.435 0.000 0.503) 0.665 12.501 ( -0.477 0.000 -0.307) 0.567 12.509 ( -0.455 0.000 -0.298) 0.544 12.655 ( 0.480 0.000 1.395) 1.476 12.677 ( 0.638 0.000 1.378) 1.518 12.688 ( -0.587 0.000 -1.641) 1.742 12.704 ( -0.747 0.000 -1.170) 1.388 13.060 ( 0.665 0.000 1.408) 1.557 13.067 ( -0.735 0.000 0.448) 0.860 13.081 ( 0.784 0.000 -0.615) 0.996 13.088 ( -0.714 0.000 -0.993) 1.223 13.355 ( 0.245 0.000 0.901) 0.934 13.370 ( -0.045 0.000 -0.628) 0.630 13.379 ( 0.185 0.000 0.808) 0.829 13.398 ( -0.319 0.000 -0.920) 0.974 13.571 ( 0.710 0.000 1.364) 1.537 13.584 ( 0.101 0.000 0.074) 0.125 13.584 ( -0.057 0.000 -0.314) 0.319 13.603 ( -0.694 0.000 -1.319) 1.491 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 1.115 0.000 -17.118) 17.154 0.909 ( 5.779 0.000 -3.851) 6.944 1.006 ( 10.607 0.000 6.366) 12.371 1.102 ( 10.071 0.000 11.048) 14.949 1.191 ( -0.091 0.000 4.119) 4.120 1.220 ( 0.972 0.000 1.243) 1.577 1.401 ( 4.611 0.000 -13.804) 14.554 1.417 ( 4.581 0.000 7.592) 8.867 1.539 ( -3.707 0.000 -0.433) 3.732 1.554 ( 1.280 0.000 -2.574) 2.875 1.640 ( 3.191 0.000 1.949) 3.739 1.712 ( 4.242 0.000 -0.395) 4.260 1.831 ( -6.334 0.000 6.393) 9.000 1.857 ( -4.170 0.000 -2.180) 4.705 1.952 ( -5.460 0.000 -2.461) 5.989 1.995 ( 3.313 0.000 1.153) 3.508 2.138 ( -1.884 0.000 -9.686) 9.868 2.144 ( -0.064 0.000 4.531) 4.531 2.226 ( 1.683 0.000 4.708) 5.000 2.289 ( -3.333 0.000 -4.470) 5.575 2.426 ( 4.205 0.000 4.112) 5.882 2.442 ( -1.662 0.000 -2.412) 2.929 2.487 ( -4.440 0.000 1.603) 4.720 2.496 ( 3.412 0.000 -4.181) 5.396 2.521 ( 2.502 0.000 -2.994) 3.902 2.568 ( 1.464 0.000 2.250) 2.685 2.660 ( 0.952 0.000 1.300) 1.611 2.668 ( 2.848 0.000 0.651) 2.922 2.846 ( -0.460 0.000 0.706) 0.842 2.931 ( 2.022 0.000 -1.403) 2.461 2.994 ( -3.268 0.000 -0.513) 3.308 3.085 ( 0.328 0.000 1.597) 1.630 3.235 ( -2.932 0.000 -1.872) 3.479 3.236 ( -4.342 0.000 2.231) 4.881 3.337 ( -0.496 0.000 2.914) 2.956 3.364 ( -0.051 0.000 -1.104) 1.105 3.447 ( -4.039 0.000 0.182) 4.043 3.511 ( -0.755 0.000 -0.543) 0.930 4.134 ( -0.990 0.000 0.421) 1.076 4.160 ( 0.600 0.000 -0.623) 0.865 4.253 ( -1.149 0.000 0.651) 1.321 4.261 ( -0.610 0.000 -0.327) 0.692 6.599 ( -0.629 0.000 0.688) 0.932 6.614 ( 0.139 0.000 -0.537) 0.555 6.658 ( -0.471 0.000 -0.647) 0.800 6.662 ( -0.166 0.000 0.086) 0.187 7.022 ( -0.178 0.000 0.752) 0.773 7.031 ( 0.479 0.000 -0.263) 0.546 7.090 ( 1.161 0.000 -0.374) 1.219 7.101 ( 0.929 0.000 1.165) 1.490 7.127 ( -2.107 0.000 1.285) 2.468 7.147 ( -1.152 0.000 -1.411) 1.821 7.187 ( -0.825 0.000 0.310) 0.882 7.201 ( -0.085 0.000 -1.185) 1.189 7.922 ( 0.115 0.000 -1.049) 1.055 7.923 ( -0.037 0.000 1.192) 1.192 7.956 ( 0.085 0.000 -1.633) 1.636 7.976 ( 0.246 0.000 1.064) 1.092 8.188 ( -2.209 0.000 -0.259) 2.224 8.202 ( -1.874 0.000 0.352) 1.907 8.238 ( -2.376 0.000 0.970) 2.567 8.249 ( -1.397 0.000 -0.599) 1.520 8.694 ( -0.895 0.000 0.153) 0.908 8.717 ( 0.358 0.000 -0.026) 0.359 8.759 ( -0.320 0.000 -0.446) 0.549 8.761 ( -0.279 0.000 0.010) 0.279 9.002 ( 0.610 0.000 0.512) 0.797 9.025 ( 1.844 0.000 -0.275) 1.864 9.060 ( 0.393 0.000 0.865) 0.950 9.075 ( 1.196 0.000 -0.927) 1.514 9.625 ( 0.048 0.000 -0.465) 0.467 9.634 ( 0.506 0.000 -0.018) 0.507 9.635 ( -0.032 0.000 0.307) 0.309 9.655 ( 0.996 0.000 0.695) 1.215 11.433 ( -0.402 0.000 -0.156) 0.431 11.441 ( 0.050 0.000 0.016) 0.053 11.462 ( -0.770 0.000 0.733) 1.064 11.477 ( 0.130 0.000 -0.484) 0.501 12.267 ( -0.348 0.000 0.305) 0.462 12.270 ( -0.012 0.000 0.248) 0.248 12.286 ( 0.516 0.000 -0.424) 0.668 12.300 ( 0.878 0.000 0.453) 0.988 12.492 ( -0.050 0.000 -0.498) 0.500 12.503 ( 0.356 0.000 -0.365) 0.510 12.512 ( 0.986 0.000 0.247) 1.016 12.517 ( 0.748 0.000 0.388) 0.842 12.661 ( -0.349 0.000 -1.382) 1.426 12.677 ( -0.763 0.000 -1.142) 1.374 12.684 ( 0.747 0.000 1.591) 1.757 12.704 ( 0.598 0.000 1.325) 1.454 13.065 ( 0.126 0.000 -0.414) 0.433 13.075 ( 0.376 0.000 -0.288) 0.473 13.091 ( 1.517 0.000 0.344) 1.556 13.101 ( 1.785 0.000 0.341) 1.817 13.360 ( -0.005 0.000 -0.854) 0.854 13.368 ( 0.350 0.000 0.503) 0.613 13.386 ( 0.070 0.000 -0.867) 0.870 13.397 ( 0.717 0.000 1.081) 1.297 13.567 ( -1.279 0.000 -1.341) 1.853 13.576 ( -0.846 0.000 -0.103) 0.853 13.577 ( -0.724 0.000 0.058) 0.727 13.595 ( -0.217 0.000 1.304) 1.322 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 10.425 0.000 -12.305) 16.127 0.975 ( 5.763 0.000 -3.180) 6.582 1.209 ( 1.698 0.000 0.358) 1.736 1.231 ( 1.404 0.000 3.609) 3.872 1.277 ( 10.783 0.000 1.771) 10.928 1.349 ( -0.029 0.000 6.480) 6.480 1.442 ( 0.800 0.000 -2.270) 2.407 1.493 ( -2.619 0.000 3.284) 4.200 1.550 ( 1.129 0.000 -1.482) 1.863 1.557 ( 12.561 0.000 4.221) 13.251 1.677 ( -0.372 0.000 0.170) 0.409 1.709 ( 4.730 0.000 -4.402) 6.461 1.794 ( 4.088 0.000 -2.862) 4.990 1.858 ( -1.469 0.000 6.751) 6.909 1.903 ( -1.435 0.000 2.566) 2.940 2.008 ( -5.754 0.000 -3.758) 6.872 2.043 ( 1.324 0.000 -6.102) 6.244 2.170 ( 1.763 0.000 1.416) 2.261 2.269 ( -5.228 0.000 -3.613) 6.356 2.287 ( 1.282 0.000 5.276) 5.429 2.328 ( -2.566 0.000 1.537) 2.991 2.398 ( -7.239 0.000 1.066) 7.317 2.442 ( -1.200 0.000 -0.246) 1.225 2.474 ( 0.656 0.000 -4.489) 4.537 2.571 ( 6.630 0.000 -4.435) 7.977 2.627 ( -5.463 0.000 0.040) 5.463 2.678 ( 6.134 0.000 2.219) 6.523 2.756 ( 5.700 0.000 3.145) 6.510 2.906 ( 4.059 0.000 -0.581) 4.100 2.912 ( -0.231 0.000 -4.136) 4.143 2.968 ( 1.762 0.000 0.709) 1.899 3.061 ( -2.284 0.000 -2.847) 3.650 3.163 ( -4.350 0.000 -1.157) 4.501 3.165 ( -5.269 0.000 -0.326) 5.280 3.288 ( -5.450 0.000 -0.732) 5.499 3.349 ( -1.443 0.000 2.277) 2.696 3.434 ( -0.359 0.000 2.624) 2.648 3.465 ( -2.898 0.000 -1.452) 3.242 4.122 ( -0.981 0.000 0.752) 1.236 4.165 ( 0.589 0.000 -0.278) 0.651 4.237 ( -1.563 0.000 0.974) 1.841 4.244 ( -0.962 0.000 -0.250) 0.994 6.600 ( -0.537 0.000 1.230) 1.342 6.607 ( -0.407 0.000 -0.529) 0.667 6.638 ( -0.633 0.000 -0.811) 1.029 6.655 ( -0.278 0.000 -0.531) 0.599 7.033 ( 0.109 0.000 0.884) 0.891 7.040 ( 0.785 0.000 -0.469) 0.914 7.066 ( -3.180 0.000 -0.391) 3.204 7.099 ( 0.689 0.000 -1.339) 1.506 7.123 ( -0.195 0.000 -0.741) 0.766 7.154 ( 0.904 0.000 1.633) 1.866 7.173 ( -0.836 0.000 0.483) 0.965 7.187 ( -0.293 0.000 -0.083) 0.305 7.903 ( -1.210 0.000 -1.060) 1.609 7.923 ( -1.553 0.000 0.938) 1.814 7.953 ( 1.363 0.000 -1.314) 1.893 7.963 ( -2.600 0.000 0.042) 2.600 8.156 ( -0.853 0.000 -0.039) 0.854 8.165 ( -2.577 0.000 0.340) 2.600 8.194 ( -3.628 0.000 0.838) 3.724 8.215 ( -1.500 0.000 -0.863) 1.730 8.681 ( -0.972 0.000 0.328) 1.026 8.721 ( 0.066 0.000 0.103) 0.122 8.747 ( -0.380 0.000 -0.562) 0.679 8.750 ( -0.589 0.000 -0.613) 0.850 9.029 ( 1.660 0.000 0.733) 1.814 9.058 ( 2.157 0.000 -0.428) 2.199 9.080 ( 0.830 0.000 0.645) 1.051 9.089 ( 1.533 0.000 -0.752) 1.708 9.622 ( 0.313 0.000 -0.532) 0.618 9.640 ( 0.572 0.000 -0.575) 0.811 9.646 ( 0.377 0.000 0.752) 0.841 9.683 ( 0.918 0.000 0.882) 1.273 11.425 ( -0.483 0.000 0.078) 0.489 11.438 ( -0.208 0.000 -0.406) 0.456 11.454 ( -0.870 0.000 0.560) 1.034 11.474 ( -0.024 0.000 -0.214) 0.216 12.264 ( -0.389 0.000 0.205) 0.440 12.279 ( 0.566 0.000 0.352) 0.667 12.291 ( 0.671 0.000 -0.736) 0.997 12.315 ( 0.307 0.000 0.244) 0.392 12.491 ( 0.430 0.000 -0.078) 0.437 12.514 ( 1.175 0.000 -0.151) 1.185 12.527 ( 0.667 0.000 -0.217) 0.701 12.532 ( 0.730 0.000 0.186) 0.753 12.648 ( 0.112 0.000 -0.569) 0.579 12.657 ( -0.367 0.000 -0.638) 0.736 12.710 ( 0.437 0.000 0.943) 1.039 12.724 ( 0.297 0.000 0.766) 0.821 13.066 ( 0.924 0.000 -0.713) 1.167 13.091 ( 1.089 0.000 0.569) 1.229 13.121 ( 1.887 0.000 -0.286) 1.909 13.139 ( 1.882 0.000 0.348) 1.914 13.355 ( 0.343 0.000 -0.491) 0.599 13.380 ( 0.248 0.000 -0.770) 0.809 13.381 ( 0.734 0.000 0.345) 0.811 13.424 ( 1.088 0.000 0.763) 1.329 13.531 ( -1.255 0.000 -0.784) 1.480 13.558 ( -1.512 0.000 0.084) 1.514 13.561 ( -0.980 0.000 0.118) 0.987 13.591 ( -1.420 0.000 0.532) 1.516 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 13.364 0.000 -0.178) 13.365 1.015 ( -0.773 0.000 3.923) 3.998 1.206 ( -3.386 0.000 1.080) 3.554 1.263 ( -1.328 0.000 0.011) 1.328 1.366 ( -0.661 0.000 0.324) 0.736 1.390 ( 1.352 0.000 2.136) 2.528 1.473 ( 9.300 0.000 1.126) 9.368 1.508 ( -0.817 0.000 4.180) 4.259 1.604 ( 4.862 0.000 -1.287) 5.030 1.727 ( 4.813 0.000 3.396) 5.891 1.791 ( 0.583 0.000 -4.118) 4.159 1.818 ( -1.983 0.000 -4.541) 4.955 1.845 ( 3.804 0.000 0.762) 3.880 1.876 ( 9.087 0.000 9.774) 13.346 1.907 ( 0.178 0.000 2.367) 2.374 1.935 ( -1.032 0.000 5.093) 5.197 2.062 ( 5.741 0.000 -2.798) 6.387 2.155 ( 5.530 0.000 -5.718) 7.955 2.199 ( -7.270 0.000 -5.904) 9.366 2.227 ( -7.715 0.000 2.893) 8.240 2.236 ( -1.409 0.000 -0.125) 1.415 2.282 ( -3.833 0.000 0.448) 3.860 2.465 ( 2.204 0.000 -3.027) 3.744 2.521 ( -4.164 0.000 0.840) 4.248 2.549 ( 0.093 0.000 4.099) 4.100 2.644 ( 6.522 0.000 -3.065) 7.207 2.740 ( 0.843 0.000 -0.126) 0.852 2.826 ( 0.652 0.000 -2.679) 2.757 2.857 ( -4.527 0.000 -5.298) 6.969 2.939 ( -2.758 0.000 -2.501) 3.723 2.969 ( 4.775 0.000 -3.902) 6.167 3.027 ( -0.605 0.000 2.129) 2.213 3.057 ( -1.833 0.000 -2.998) 3.514 3.089 ( -2.139 0.000 -1.084) 2.398 3.208 ( -3.818 0.000 1.390) 4.064 3.347 ( -0.689 0.000 1.320) 1.489 3.394 ( -3.051 0.000 -1.312) 3.322 3.461 ( -0.034 0.000 2.309) 2.309 4.120 ( -0.436 0.000 1.056) 1.142 4.174 ( 0.672 0.000 -0.085) 0.678 4.224 ( -1.017 0.000 -0.180) 1.033 4.225 ( -1.308 0.000 1.267) 1.822 6.589 ( -0.608 0.000 -0.748) 0.964 6.603 ( -0.903 0.000 1.169) 1.477 6.626 ( -0.023 0.000 -0.215) 0.217 6.644 ( -0.099 0.000 -0.788) 0.794 7.008 ( -1.102 0.000 -0.803) 1.364 7.040 ( 0.290 0.000 -1.141) 1.177 7.062 ( 0.558 0.000 1.488) 1.589 7.093 ( 0.082 0.000 -0.536) 0.542 7.118 ( 1.068 0.000 -1.475) 1.820 7.145 ( -1.636 0.000 0.266) 1.657 7.189 ( -0.101 0.000 1.144) 1.148 7.190 ( 0.037 0.000 0.541) 0.543 7.865 ( -1.738 0.000 -0.787) 1.908 7.886 ( -3.466 0.000 0.314) 3.481 7.912 ( -2.612 0.000 0.603) 2.681 7.960 ( 0.656 0.000 -1.066) 1.251 8.120 ( -2.591 0.000 -0.349) 2.615 8.150 ( -0.100 0.000 -0.592) 0.600 8.152 ( -2.068 0.000 1.231) 2.407 8.183 ( -0.474 0.000 -1.527) 1.599 8.670 ( -0.800 0.000 0.561) 0.977 8.720 ( -0.173 0.000 -0.425) 0.459 8.731 ( -0.490 0.000 -0.523) 0.716 8.737 ( -0.112 0.000 -0.408) 0.423 9.069 ( 1.754 0.000 0.821) 1.937 9.084 ( 1.652 0.000 -0.775) 1.825 9.099 ( 0.537 0.000 0.439) 0.694 9.111 ( 1.500 0.000 -0.305) 1.531 9.623 ( 0.323 0.000 -0.366) 0.488 9.640 ( 0.397 0.000 -0.842) 0.931 9.662 ( 0.413 0.000 0.844) 0.940 9.701 ( 0.447 0.000 0.284) 0.529 11.419 ( -0.429 0.000 0.211) 0.478 11.427 ( -0.240 0.000 -0.661) 0.704 11.446 ( -0.724 0.000 0.555) 0.912 11.471 ( -0.076 0.000 -0.175) 0.191 12.259 ( -0.328 0.000 0.218) 0.394 12.290 ( 0.532 0.000 -0.877) 1.025 12.294 ( 0.551 0.000 0.055) 0.554 12.316 ( 0.038 0.000 -0.357) 0.359 12.503 ( 0.592 0.000 0.499) 0.774 12.532 ( 0.361 0.000 -0.332) 0.491 12.535 ( 1.252 0.000 -0.005) 1.252 12.546 ( 0.584 0.000 0.165) 0.607 12.651 ( 0.178 0.000 -0.014) 0.179 12.652 ( 0.464 0.000 0.252) 0.528 12.717 ( -0.193 0.000 -0.083) 0.210 12.729 ( -0.272 0.000 -0.061) 0.279 13.081 ( 1.258 0.000 0.010) 1.258 13.120 ( 1.225 0.000 0.894) 1.516 13.144 ( 1.273 0.000 -0.626) 1.419 13.168 ( 1.343 0.000 -0.224) 1.361 13.364 ( 0.916 0.000 0.348) 0.980 13.379 ( 0.513 0.000 -0.344) 0.617 13.401 ( 1.159 0.000 0.294) 1.196 13.447 ( 0.900 0.000 -0.014) 0.900 13.509 ( -0.724 0.000 0.003) 0.724 13.529 ( -1.767 0.000 0.051) 1.768 13.544 ( -0.984 0.000 -0.104) 0.989 13.561 ( -2.113 0.000 -0.167) 2.120 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.941 0.000 8.590) 8.806 1.109 ( 4.377 0.000 5.238) 6.826 1.220 ( 5.478 0.000 -0.244) 5.483 1.250 ( 0.535 0.000 -1.028) 1.159 1.372 ( 0.918 0.000 0.011) 0.918 1.375 ( -3.360 0.000 1.948) 3.884 1.510 ( -4.175 0.000 1.881) 4.580 1.558 ( -0.407 0.000 -4.996) 5.012 1.676 ( 4.193 0.000 5.061) 6.572 1.770 ( -1.571 0.000 2.085) 2.610 1.791 ( 4.303 0.000 -1.351) 4.510 1.867 ( 1.445 0.000 -0.576) 1.556 1.883 ( 1.613 0.000 3.117) 3.510 1.945 ( 1.760 0.000 0.764) 1.918 1.974 ( 0.941 0.000 4.816) 4.907 2.003 ( -5.479 0.000 -5.104) 7.488 2.073 ( -3.395 0.000 3.928) 5.192 2.084 ( 1.652 0.000 -4.400) 4.700 2.144 ( 5.736 0.000 4.225) 7.124 2.249 ( 0.208 0.000 0.078) 0.222 2.280 ( 5.997 0.000 -1.811) 6.264 2.326 ( 8.995 0.000 0.413) 9.005 2.440 ( -6.033 0.000 4.527) 7.542 2.449 ( -2.753 0.000 -1.784) 3.281 2.534 ( -4.917 0.000 -0.605) 4.954 2.607 ( -5.539 0.000 -7.167) 9.058 2.748 ( 0.581 0.000 -1.916) 2.002 2.758 ( 4.899 0.000 -2.274) 5.401 2.796 ( 1.046 0.000 -3.555) 3.706 2.878 ( -3.442 0.000 -4.542) 5.699 2.903 ( 0.820 0.000 -3.108) 3.214 3.000 ( -5.209 0.000 -1.467) 5.412 3.055 ( -1.828 0.000 0.320) 1.856 3.062 ( 2.397 0.000 -2.587) 3.527 3.210 ( 0.119 0.000 4.207) 4.208 3.332 ( -1.251 0.000 -1.872) 2.251 3.386 ( 1.950 0.000 2.616) 3.263 3.469 ( -1.051 0.000 0.346) 1.106 4.130 ( 0.079 0.000 1.350) 1.352 4.178 ( 0.109 0.000 -1.050) 1.056 4.212 ( -0.184 0.000 0.580) 0.609 4.220 ( -0.748 0.000 0.957) 1.215 6.578 ( 0.168 0.000 -0.383) 0.418 6.591 ( -1.108 0.000 0.094) 1.111 6.631 ( 0.507 0.000 0.045) 0.509 6.637 ( -0.095 0.000 -0.238) 0.256 7.002 ( 0.470 0.000 0.266) 0.540 7.031 ( 0.257 0.000 -1.138) 1.167 7.089 ( 0.436 0.000 1.472) 1.535 7.091 ( 0.164 0.000 -0.147) 0.220 7.116 ( -1.648 0.000 -0.170) 1.656 7.124 ( 1.183 0.000 -1.250) 1.721 7.187 ( -1.044 0.000 0.675) 1.243 7.195 ( 0.289 0.000 -0.129) 0.316 7.835 ( -0.553 0.000 -0.498) 0.744 7.837 ( -1.928 0.000 0.115) 1.931 7.894 ( -0.776 0.000 1.430) 1.627 7.946 ( -0.492 0.000 -1.447) 1.528 8.087 ( -0.886 0.000 0.201) 0.909 8.127 ( -0.515 0.000 -1.917) 1.985 8.144 ( -0.554 0.000 1.080) 1.214 8.169 ( 0.237 0.000 -1.021) 1.048 8.667 ( -0.384 0.000 0.859) 0.941 8.704 ( -0.084 0.000 -1.443) 1.445 8.727 ( -0.190 0.000 0.288) 0.345 8.734 ( 0.190 0.000 -0.326) 0.378 9.098 ( 0.195 0.000 0.526) 0.561 9.100 ( 1.023 0.000 -0.542) 1.158 9.109 ( 0.315 0.000 0.584) 0.663 9.127 ( 0.652 0.000 -0.357) 0.744 9.624 ( 0.118 0.000 -0.140) 0.184 9.635 ( 0.103 0.000 -0.808) 0.815 9.678 ( 0.249 0.000 0.940) 0.972 9.704 ( -0.099 0.000 -0.308) 0.323 11.414 ( -0.305 0.000 0.068) 0.312 11.418 ( 0.026 0.000 -0.547) 0.547 11.445 ( -0.330 0.000 0.861) 0.922 11.467 ( -0.012 0.000 -0.429) 0.429 12.258 ( -0.215 0.000 0.466) 0.514 12.284 ( 0.240 0.000 -1.228) 1.251 12.303 ( 0.191 0.000 0.147) 0.241 12.313 ( 0.071 0.000 -0.462) 0.467 12.519 ( 0.349 0.000 0.654) 0.742 12.533 ( 0.192 0.000 -0.276) 0.337 12.553 ( 0.635 0.000 0.045) 0.636 12.555 ( 0.148 0.000 0.213) 0.259 12.661 ( 0.547 0.000 0.809) 0.977 12.669 ( 0.814 0.000 0.609) 1.017 12.703 ( -0.683 0.000 -0.742) 1.009 12.713 ( -0.930 0.000 -0.852) 1.261 13.105 ( 0.901 0.000 0.754) 1.176 13.147 ( 0.098 0.000 -1.031) 1.036 13.148 ( 0.656 0.000 1.064) 1.250 13.179 ( 0.435 0.000 -0.618) 0.755 13.391 ( 1.218 0.000 0.163) 1.229 13.393 ( 0.961 0.000 1.312) 1.626 13.417 ( 0.041 0.000 -0.176) 0.181 13.449 ( -0.182 0.000 -0.835) 0.854 13.504 ( -0.935 0.000 0.033) 0.935 13.504 ( -0.181 0.000 0.281) 0.334 13.526 ( -0.685 0.000 -0.398) 0.792 13.528 ( -0.947 0.000 -0.257) 0.981 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -8.969 0.000 8.929) 12.655 1.130 ( -4.187 0.000 1.507) 4.450 1.241 ( 3.350 0.000 -5.559) 6.490 1.330 ( 7.185 0.000 -5.136) 8.832 1.354 ( -3.698 0.000 3.454) 5.061 1.386 ( 1.819 0.000 -0.630) 1.925 1.469 ( -1.204 0.000 2.735) 2.988 1.560 ( 6.043 0.000 -2.262) 6.452 1.724 ( -6.448 0.000 3.870) 7.520 1.784 ( -0.761 0.000 8.996) 9.028 1.793 ( -7.655 0.000 -2.492) 8.050 1.838 ( 1.652 0.000 -3.999) 4.327 1.875 ( -0.713 0.000 -3.477) 3.550 1.908 ( -0.035 0.000 2.068) 2.068 1.972 ( -3.037 0.000 4.478) 5.411 2.060 ( 4.305 0.000 -6.064) 7.436 2.079 ( 3.950 0.000 2.753) 4.815 2.087 ( 2.480 0.000 -2.864) 3.788 2.215 ( -6.013 0.000 2.298) 6.437 2.227 ( -8.590 0.000 -3.668) 9.340 2.338 ( 2.602 0.000 -7.680) 8.109 2.363 ( -3.908 0.000 -2.277) 4.523 2.373 ( 4.388 0.000 4.686) 6.420 2.465 ( -0.142 0.000 7.029) 7.030 2.480 ( 5.556 0.000 1.469) 5.746 2.575 ( 3.953 0.000 -1.644) 4.281 2.720 ( -0.374 0.000 -0.925) 0.998 2.727 ( 0.895 0.000 -2.358) 2.522 2.822 ( -1.033 0.000 -3.083) 3.252 2.842 ( 1.322 0.000 -1.898) 2.313 2.857 ( -6.490 0.000 -0.219) 6.494 2.953 ( 5.261 0.000 2.340) 5.758 3.038 ( -0.616 0.000 0.271) 0.673 3.061 ( 0.599 0.000 -0.665) 0.895 3.274 ( 1.764 0.000 3.859) 4.243 3.287 ( -1.077 0.000 -2.873) 3.069 3.431 ( -2.386 0.000 -1.514) 2.826 3.456 ( 2.509 0.000 1.662) 3.009 4.150 ( 0.254 0.000 1.537) 1.558 4.160 ( -0.263 0.000 -1.430) 1.454 4.218 ( -0.265 0.000 0.229) 0.350 4.226 ( 0.760 0.000 0.380) 0.849 6.576 ( -0.407 0.000 -0.119) 0.424 6.587 ( 1.000 0.000 0.154) 1.012 6.632 ( -0.248 0.000 -0.198) 0.317 6.641 ( 0.636 0.000 -0.235) 0.678 7.016 ( 0.367 0.000 0.401) 0.543 7.019 ( -0.165 0.000 -1.367) 1.377 7.091 ( -0.972 0.000 0.210) 0.995 7.100 ( 0.476 0.000 0.383) 0.611 7.101 ( -0.605 0.000 0.650) 0.888 7.126 ( 0.728 0.000 -1.148) 1.359 7.182 ( -0.387 0.000 0.985) 1.059 7.201 ( 0.912 0.000 -0.537) 1.059 7.829 ( 0.777 0.000 0.116) 0.786 7.842 ( 2.021 0.000 -0.412) 2.062 7.915 ( 0.947 0.000 1.535) 1.804 7.927 ( 0.601 0.000 -1.675) 1.779 8.092 ( 0.403 0.000 1.287) 1.349 8.103 ( 0.218 0.000 -1.427) 1.444 8.150 ( -0.232 0.000 0.918) 0.947 8.163 ( 0.375 0.000 -0.808) 0.891 8.676 ( 0.131 0.000 1.152) 1.160 8.691 ( 0.395 0.000 -1.386) 1.441 8.728 ( -0.055 0.000 0.247) 0.253 8.735 ( 0.367 0.000 -0.428) 0.564 9.090 ( -1.273 0.000 0.417) 1.340 9.105 ( -0.013 0.000 -0.275) 0.275 9.117 ( -0.558 0.000 0.608) 0.825 9.123 ( -0.391 0.000 -0.663) 0.770 9.624 ( -0.128 0.000 0.235) 0.268 9.627 ( -0.174 0.000 -0.490) 0.520 9.691 ( 0.006 0.000 0.960) 0.960 9.693 ( -0.492 0.000 -0.565) 0.749 11.411 ( -0.015 0.000 0.104) 0.105 11.417 ( 0.391 0.000 -0.300) 0.493 11.452 ( -0.036 0.000 0.938) 0.939 11.462 ( 0.156 0.000 -0.697) 0.715 12.262 ( -0.200 0.000 0.815) 0.839 12.274 ( 0.124 0.000 -1.029) 1.037 12.305 ( -0.174 0.000 0.251) 0.306 12.308 ( -0.049 0.000 -0.377) 0.380 12.527 ( -0.109 0.000 0.409) 0.423 12.530 ( -0.199 0.000 -0.437) 0.480 12.552 ( -0.624 0.000 0.067) 0.628 12.557 ( -0.211 0.000 0.039) 0.215 12.680 ( -0.846 0.000 -0.940) 1.265 12.683 ( -1.137 0.000 -0.896) 1.448 12.685 ( 0.746 0.000 1.129) 1.353 12.693 ( 0.960 0.000 0.956) 1.354 13.124 ( -0.045 0.000 1.123) 1.124 13.125 ( -1.102 0.000 -1.151) 1.594 13.163 ( -0.324 0.000 0.969) 1.021 13.169 ( -0.616 0.000 -0.908) 1.097 13.397 ( -1.431 0.000 -0.427) 1.493 13.412 ( 0.563 0.000 0.341) 0.659 13.421 ( -1.492 0.000 -1.235) 1.937 13.424 ( 0.352 0.000 1.524) 1.564 13.507 ( 0.668 0.000 -0.210) 0.700 13.508 ( 0.892 0.000 0.036) 0.893 13.523 ( 0.470 0.000 -0.224) 0.521 13.524 ( 0.905 0.000 0.120) 0.913 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -15.669 0.000 0.941) 15.697 1.051 ( -6.063 0.000 -0.442) 6.079 1.256 ( 4.085 0.000 -3.714) 5.520 1.333 ( -1.669 0.000 2.224) 2.781 1.353 ( 1.893 0.000 -1.969) 2.732 1.388 ( -0.208 0.000 -5.012) 5.016 1.484 ( -5.723 0.000 2.735) 6.343 1.627 ( -6.270 0.000 -4.732) 7.855 1.628 ( 6.262 0.000 -3.905) 7.380 1.709 ( -0.962 0.000 4.832) 4.927 1.711 ( -10.519 0.000 1.649) 10.647 1.772 ( -6.106 0.000 0.321) 6.114 1.881 ( 0.321 0.000 -1.865) 1.893 1.939 ( -4.084 0.000 0.052) 4.084 1.978 ( -1.513 0.000 4.808) 5.040 2.019 ( 4.204 0.000 5.573) 6.981 2.047 ( -5.036 0.000 -3.601) 6.191 2.108 ( -1.598 0.000 -2.288) 2.790 2.109 ( -3.607 0.000 -9.228) 9.907 2.201 ( 5.012 0.000 2.132) 5.447 2.294 ( 3.742 0.000 -0.326) 3.756 2.312 ( 5.969 0.000 -3.933) 7.148 2.393 ( -4.211 0.000 3.065) 5.208 2.575 ( 4.866 0.000 -1.401) 5.064 2.617 ( 2.856 0.000 -3.162) 4.260 2.633 ( -3.208 0.000 -1.011) 3.364 2.707 ( 4.044 0.000 6.524) 7.676 2.744 ( 1.547 0.000 -1.215) 1.967 2.784 ( 1.827 0.000 2.055) 2.750 2.845 ( -1.337 0.000 4.625) 4.814 2.855 ( -2.049 0.000 5.538) 5.905 3.009 ( -0.203 0.000 1.099) 1.117 3.049 ( 0.776 0.000 -0.040) 0.777 3.086 ( 1.774 0.000 0.642) 1.887 3.249 ( 1.304 0.000 -2.404) 2.735 3.354 ( 3.307 0.000 1.556) 3.655 3.382 ( -0.265 0.000 -0.797) 0.840 3.497 ( 1.735 0.000 -0.789) 1.906 4.145 ( 0.336 0.000 -1.276) 1.319 4.166 ( -0.149 0.000 0.839) 0.852 4.220 ( 0.349 0.000 0.198) 0.401 4.242 ( 1.137 0.000 -0.323) 1.182 6.578 ( 0.540 0.000 0.271) 0.604 6.611 ( 1.272 0.000 0.356) 1.321 6.626 ( -0.088 0.000 -0.189) 0.208 6.643 ( 0.252 0.000 -0.705) 0.749 7.003 ( 0.071 0.000 -0.605) 0.609 7.022 ( -0.024 0.000 0.528) 0.529 7.085 ( -0.593 0.000 0.090) 0.599 7.093 ( -0.468 0.000 -1.278) 1.361 7.093 ( -0.667 0.000 1.058) 1.250 7.144 ( 1.549 0.000 0.329) 1.583 7.191 ( 0.172 0.000 0.545) 0.571 7.210 ( 0.760 0.000 -0.818) 1.117 7.855 ( 1.745 0.000 0.104) 1.748 7.892 ( 3.817 0.000 -0.289) 3.828 7.933 ( 1.865 0.000 -1.292) 2.269 7.940 ( -0.113 0.000 0.875) 0.882 8.115 ( 2.240 0.000 -0.029) 2.240 8.125 ( 1.311 0.000 1.713) 2.157 8.156 ( -0.102 0.000 0.862) 0.868 8.171 ( 1.732 0.000 -0.667) 1.856 8.687 ( 0.767 0.000 -1.112) 1.350 8.696 ( 0.530 0.000 1.327) 1.429 8.730 ( 0.095 0.000 0.212) 0.232 8.736 ( 0.418 0.000 -0.534) 0.678 9.069 ( -1.808 0.000 0.679) 1.932 9.085 ( -1.627 0.000 -0.667) 1.758 9.103 ( -1.638 0.000 0.478) 1.707 9.108 ( -0.489 0.000 -0.510) 0.707 9.620 ( -0.337 0.000 -0.081) 0.347 9.625 ( -0.353 0.000 0.590) 0.687 9.677 ( -0.648 0.000 -0.585) 0.873 9.698 ( -0.283 0.000 0.667) 0.724 11.416 ( 0.297 0.000 0.335) 0.447 11.423 ( 0.609 0.000 -0.228) 0.650 11.459 ( 0.416 0.000 -0.656) 0.777 11.462 ( 0.015 0.000 0.722) 0.722 12.268 ( 0.250 0.000 -0.620) 0.669 12.268 ( -0.336 0.000 1.005) 1.060 12.301 ( -0.287 0.000 -0.427) 0.515 12.306 ( -0.184 0.000 0.625) 0.651 12.516 ( -0.660 0.000 -0.667) 0.938 12.526 ( -0.409 0.000 0.279) 0.495 12.536 ( -1.249 0.000 -0.042) 1.250 12.548 ( -0.793 0.000 0.005) 0.793 12.656 ( -0.797 0.000 -0.525) 0.954 12.660 ( -0.733 0.000 -0.495) 0.885 12.707 ( 0.565 0.000 0.788) 0.970 12.719 ( 0.686 0.000 0.847) 1.090 13.089 ( -1.738 0.000 -0.737) 1.888 13.126 ( -1.086 0.000 1.037) 1.502 13.141 ( -1.290 0.000 -1.033) 1.652 13.159 ( -1.147 0.000 0.692) 1.339 13.369 ( -1.418 0.000 -0.121) 1.423 13.385 ( -1.012 0.000 -0.807) 1.294 13.407 ( -0.867 0.000 -0.276) 0.910 13.437 ( -0.468 0.000 0.968) 1.075 13.516 ( 0.577 0.000 -0.586) 0.822 13.530 ( 1.855 0.000 0.005) 1.855 13.541 ( 1.289 0.000 0.190) 1.303 13.556 ( 2.214 0.000 0.325) 2.238 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -18.039 0.000 0.509) 18.046 0.877 ( -15.751 0.000 4.209) 16.304 1.191 ( -14.717 0.000 -0.080) 14.717 1.294 ( -7.468 0.000 -0.165) 7.470 1.310 ( -1.867 0.000 -3.884) 4.309 1.359 ( -2.428 0.000 5.347) 5.873 1.391 ( 4.525 0.000 -0.464) 4.548 1.540 ( -4.146 0.000 0.650) 4.197 1.618 ( 0.485 0.000 3.775) 3.806 1.632 ( -1.470 0.000 -7.872) 8.008 1.661 ( -3.404 0.000 -0.550) 3.448 1.761 ( -0.259 0.000 -8.138) 8.142 1.804 ( -4.018 0.000 -3.330) 5.219 1.892 ( 3.350 0.000 3.602) 4.919 1.959 ( -0.351 0.000 -1.826) 1.860 1.966 ( 1.685 0.000 -4.816) 5.102 1.978 ( -2.736 0.000 1.102) 2.950 2.181 ( 8.504 0.000 1.894) 8.713 2.185 ( 0.699 0.000 4.750) 4.801 2.302 ( 5.524 0.000 4.303) 7.003 2.346 ( -4.173 0.000 1.935) 4.600 2.394 ( 6.981 0.000 -3.473) 7.798 2.403 ( 5.963 0.000 0.573) 5.991 2.516 ( -7.078 0.000 0.882) 7.133 2.545 ( -1.706 0.000 -8.279) 8.453 2.645 ( 3.458 0.000 -1.387) 3.726 2.717 ( -4.657 0.000 -1.588) 4.920 2.777 ( -3.232 0.000 2.123) 3.867 2.817 ( -1.981 0.000 3.499) 4.021 2.856 ( -1.288 0.000 3.550) 3.776 2.926 ( 0.532 0.000 8.847) 8.863 2.986 ( -4.297 0.000 -0.632) 4.343 3.107 ( 4.339 0.000 4.574) 6.305 3.158 ( 6.355 0.000 0.459) 6.372 3.292 ( 4.295 0.000 -0.703) 4.352 3.378 ( 1.642 0.000 -0.752) 1.806 3.445 ( 4.059 0.000 0.686) 4.117 3.500 ( 1.212 0.000 -3.421) 3.630 4.143 ( 1.035 0.000 -1.149) 1.546 4.164 ( -0.461 0.000 -0.057) 0.465 4.234 ( 0.561 0.000 0.688) 0.888 4.257 ( 1.281 0.000 -0.810) 1.515 6.596 ( 0.815 0.000 0.457) 0.934 6.627 ( 0.524 0.000 -1.142) 1.256 6.627 ( 0.286 0.000 0.197) 0.347 6.642 ( 0.439 0.000 0.503) 0.668 7.028 ( 2.413 0.000 1.609) 2.900 7.029 ( -0.200 0.000 0.650) 0.680 7.071 ( 0.134 0.000 -1.272) 1.279 7.074 ( -0.990 0.000 0.840) 1.299 7.103 ( 0.406 0.000 0.932) 1.016 7.172 ( 1.331 0.000 -0.022) 1.332 7.195 ( 0.125 0.000 -0.328) 0.350 7.198 ( -0.668 0.000 -1.765) 1.887 7.884 ( 1.070 0.000 0.645) 1.250 7.932 ( -1.465 0.000 0.669) 1.610 7.943 ( 2.066 0.000 -1.047) 2.317 7.961 ( 2.325 0.000 0.137) 2.329 8.154 ( 0.981 0.000 0.120) 0.989 8.165 ( 2.803 0.000 0.259) 2.815 8.186 ( 1.751 0.000 1.834) 2.536 8.209 ( 3.187 0.000 -0.578) 3.239 8.691 ( 0.926 0.000 -0.751) 1.193 8.718 ( 0.274 0.000 0.749) 0.797 8.737 ( 0.270 0.000 0.384) 0.470 8.740 ( 0.610 0.000 -0.077) 0.614 9.045 ( -1.925 0.000 0.774) 2.074 9.046 ( -1.669 0.000 -0.857) 1.877 9.076 ( -1.902 0.000 0.540) 1.977 9.092 ( -0.696 0.000 -0.505) 0.860 9.614 ( -0.345 0.000 0.207) 0.402 9.625 ( -0.491 0.000 0.758) 0.904 9.660 ( -0.570 0.000 -0.562) 0.801 9.694 ( -0.555 0.000 -0.069) 0.559 11.428 ( 0.391 0.000 0.493) 0.629 11.430 ( 0.546 0.000 -0.392) 0.672 11.463 ( 0.678 0.000 -0.306) 0.744 11.468 ( -0.126 0.000 0.462) 0.479 12.269 ( 0.432 0.000 -0.322) 0.539 12.272 ( -0.502 0.000 0.929) 1.056 12.290 ( -0.335 0.000 -0.552) 0.646 12.314 ( 0.216 0.000 0.593) 0.631 12.497 ( -0.713 0.000 -0.541) 0.895 12.513 ( -1.277 0.000 -0.009) 1.277 12.521 ( -0.521 0.000 0.320) 0.612 12.533 ( -0.879 0.000 0.086) 0.883 12.642 ( -0.554 0.000 0.054) 0.557 12.649 ( -0.194 0.000 0.106) 0.222 12.719 ( 0.121 0.000 0.083) 0.146 12.731 ( 0.056 0.000 0.082) 0.099 13.056 ( -1.494 0.000 0.119) 1.499 13.107 ( -1.132 0.000 -0.929) 1.465 13.111 ( -1.756 0.000 0.606) 1.858 13.141 ( -1.521 0.000 0.261) 1.543 13.348 ( -0.942 0.000 0.221) 0.968 13.371 ( -0.318 0.000 0.051) 0.322 13.388 ( -0.730 0.000 -0.376) 0.821 13.431 ( -0.771 0.000 0.101) 0.778 13.523 ( 0.732 0.000 -0.009) 0.732 13.561 ( 1.674 0.000 -0.160) 1.681 13.563 ( 1.108 0.000 -0.057) 1.110 13.596 ( 1.908 0.000 0.050) 1.909 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -5.421 0.000 16.333) 17.209 0.693 ( -13.280 0.000 12.363) 18.144 0.993 ( -16.047 0.000 18.874) 24.773 1.159 ( -5.278 0.000 -6.391) 8.289 1.210 ( -7.321 0.000 -2.168) 7.635 1.270 ( -8.041 0.000 1.033) 8.107 1.446 ( 0.240 0.000 -12.540) 12.543 1.479 ( 0.651 0.000 -1.205) 1.370 1.563 ( 3.979 0.000 -1.031) 4.111 1.590 ( 1.269 0.000 -6.777) 6.895 1.693 ( 2.736 0.000 -2.903) 3.989 1.721 ( -3.438 0.000 -0.475) 3.471 1.793 ( 11.852 0.000 3.984) 12.504 1.962 ( 2.146 0.000 -0.092) 2.148 1.975 ( 2.393 0.000 -2.666) 3.582 1.977 ( -0.364 0.000 2.705) 2.729 2.029 ( 1.011 0.000 0.120) 1.018 2.165 ( 0.667 0.000 -1.262) 1.427 2.237 ( -5.390 0.000 2.702) 6.029 2.342 ( 0.055 0.000 -9.918) 9.918 2.386 ( 4.565 0.000 3.961) 6.044 2.423 ( -4.676 0.000 3.122) 5.622 2.456 ( 1.229 0.000 2.526) 2.809 2.479 ( 1.316 0.000 -0.953) 1.625 2.518 ( 4.540 0.000 -1.382) 4.746 2.589 ( -4.962 0.000 -1.315) 5.134 2.669 ( -0.727 0.000 0.204) 0.755 2.679 ( -4.093 0.000 -0.490) 4.122 2.852 ( -1.496 0.000 -0.335) 1.533 2.862 ( -1.324 0.000 5.023) 5.195 2.960 ( 1.366 0.000 2.638) 2.971 3.023 ( 0.632 0.000 7.287) 7.315 3.224 ( 3.200 0.000 3.688) 4.883 3.235 ( 1.605 0.000 -1.727) 2.357 3.347 ( 1.781 0.000 0.077) 1.783 3.387 ( 0.658 0.000 -1.877) 1.989 3.469 ( 0.432 0.000 -2.075) 2.120 3.507 ( 2.326 0.000 -0.145) 2.331 4.151 ( 1.155 0.000 -1.093) 1.591 4.154 ( -0.493 0.000 -0.091) 0.502 4.250 ( 0.307 0.000 0.783) 0.841 4.267 ( 0.878 0.000 -0.755) 1.158 6.607 ( 0.026 0.000 0.156) 0.158 6.619 ( 0.339 0.000 -1.132) 1.182 6.642 ( 0.615 0.000 0.797) 1.006 6.658 ( 0.472 0.000 0.438) 0.644 7.026 ( -0.580 0.000 0.269) 0.639 7.043 ( 0.160 0.000 -1.352) 1.361 7.071 ( -0.589 0.000 1.126) 1.271 7.125 ( 0.537 0.000 1.046) 1.176 7.136 ( 1.602 0.000 0.559) 1.697 7.140 ( 1.128 0.000 -2.161) 2.438 7.191 ( 0.021 0.000 -0.281) 0.282 7.196 ( 1.048 0.000 -0.548) 1.182 7.906 ( 0.207 0.000 0.696) 0.726 7.919 ( -0.663 0.000 1.638) 1.767 7.949 ( 0.418 0.000 -1.318) 1.383 7.987 ( 0.210 0.000 -0.021) 0.211 8.182 ( 2.066 0.000 0.223) 2.078 8.206 ( 1.712 0.000 -0.094) 1.714 8.231 ( 1.221 0.000 1.173) 1.693 8.253 ( 2.273 0.000 -0.532) 2.334 8.701 ( 0.858 0.000 -0.454) 0.971 8.718 ( -0.346 0.000 -0.138) 0.372 8.748 ( 0.345 0.000 0.609) 0.700 8.755 ( 0.601 0.000 0.460) 0.756 9.015 ( -0.712 0.000 -0.783) 1.058 9.019 ( -1.768 0.000 0.391) 1.811 9.056 ( -1.326 0.000 0.888) 1.596 9.076 ( -0.307 0.000 -0.645) 0.714 9.613 ( -0.115 0.000 0.457) 0.471 9.624 ( -0.504 0.000 0.681) 0.847 9.646 ( -0.228 0.000 -0.532) 0.579 9.676 ( -0.888 0.000 -0.977) 1.320 11.434 ( 0.394 0.000 -0.285) 0.486 11.438 ( 0.192 0.000 0.354) 0.403 11.468 ( -0.388 0.000 0.397) 0.555 11.472 ( 0.670 0.000 -0.255) 0.717 12.271 ( -0.494 0.000 0.585) 0.765 12.273 ( 0.435 0.000 -0.292) 0.524 12.281 ( -0.002 0.000 -0.393) 0.393 12.312 ( -0.676 0.000 -0.719) 0.987 12.484 ( -0.280 0.000 0.141) 0.314 12.497 ( -0.568 0.000 0.222) 0.610 12.513 ( -0.681 0.000 0.072) 0.685 12.520 ( -0.688 0.000 0.048) 0.690 12.640 ( -0.087 0.000 0.683) 0.688 12.656 ( 0.320 0.000 0.876) 0.933 12.712 ( -0.356 0.000 -0.993) 1.054 12.724 ( -0.395 0.000 -0.619) 0.735 13.044 ( -0.530 0.000 0.995) 1.127 13.084 ( -1.721 0.000 0.383) 1.763 13.085 ( -0.314 0.000 -0.761) 0.823 13.114 ( -1.378 0.000 -0.385) 1.431 13.344 ( -0.222 0.000 0.782) 0.813 13.371 ( -0.058 0.000 0.502) 0.505 13.377 ( -0.166 0.000 -0.418) 0.450 13.415 ( -0.657 0.000 -0.594) 0.886 13.542 ( 0.956 0.000 0.907) 1.318 13.578 ( 0.708 0.000 -0.149) 0.724 13.580 ( 0.890 0.000 -0.308) 0.942 13.616 ( 0.664 0.000 -0.682) 0.952 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 2.175 5.379 17.129) 18.085 0.860 ( -1.515 7.312 13.908) 15.786 1.005 ( 3.204 1.897 1.532) 4.026 1.093 ( -2.234 -6.434 0.427) 6.824 1.149 ( -2.874 8.626 -5.411) 10.580 1.223 ( 2.718 6.930 8.703) 11.452 1.298 ( -0.617 1.678 -15.186) 15.291 1.474 ( -2.233 -3.256 -4.778) 6.198 1.526 ( 3.653 -5.401 -2.466) 6.972 1.562 ( -3.682 -5.918 -1.715) 7.178 1.633 ( 3.672 2.136 -0.654) 4.298 1.675 ( 0.271 0.025 -5.123) 5.131 1.824 ( -3.301 -4.135 2.453) 5.832 1.889 ( 0.887 -5.268 -3.307) 6.282 1.966 ( 3.500 1.000 1.932) 4.121 2.022 ( -3.305 3.057 -3.914) 5.966 2.067 ( 3.017 -1.712 6.029) 6.956 2.181 ( 0.456 -1.372 -1.040) 1.781 2.278 ( -2.686 2.140 -0.817) 3.530 2.313 ( 1.796 1.335 1.222) 2.549 2.404 ( 0.864 1.516 1.548) 2.333 2.448 ( -0.111 0.528 -1.589) 1.678 2.485 ( -2.233 2.095 1.035) 3.233 2.524 ( -0.420 3.345 -0.097) 3.373 2.531 ( 1.334 1.835 -0.616) 2.351 2.561 ( 1.799 0.479 -1.595) 2.451 2.642 ( -0.610 -0.874 0.833) 1.353 2.656 ( -1.038 -0.470 -0.492) 1.241 2.810 ( 3.724 -5.637 3.653) 7.680 2.855 ( -3.116 -2.834 -0.777) 4.283 3.020 ( -0.009 0.284 3.456) 3.467 3.051 ( -0.672 1.203 0.529) 1.476 3.178 ( -1.085 -5.122 4.571) 6.950 3.218 ( 0.036 -4.960 0.679) 5.006 3.368 ( 0.370 2.198 1.837) 2.888 3.385 ( 1.216 1.264 0.034) 1.754 3.555 ( 0.153 4.129 -1.818) 4.514 3.567 ( -1.693 3.868 -3.513) 5.493 4.142 ( -0.413 -0.150 -0.138) 0.460 4.152 ( 0.745 -0.452 -1.005) 1.330 4.261 ( -0.321 0.196 0.694) 0.789 4.269 ( 0.025 -0.112 -0.129) 0.172 6.603 ( -0.351 -0.099 0.112) 0.381 6.610 ( 0.218 -0.430 -0.568) 0.745 6.662 ( 0.290 0.354 0.522) 0.694 6.668 ( 0.090 0.151 0.054) 0.183 7.022 ( -0.012 0.218 0.503) 0.548 7.035 ( -0.365 0.114 -0.593) 0.706 7.062 ( 0.643 -1.092 0.481) 1.355 7.075 ( -0.847 -1.069 -0.715) 1.539 7.149 ( -0.719 0.867 1.032) 1.527 7.174 ( 0.273 -0.535 -0.892) 1.075 7.195 ( 0.131 0.244 -0.039) 0.280 7.203 ( 0.843 -0.061 -0.498) 0.981 7.916 ( -0.049 0.615 0.995) 1.171 7.940 ( 0.044 0.373 -0.763) 0.850 7.944 ( 0.480 -0.248 0.943) 1.087 7.970 ( -0.423 -0.580 -0.892) 1.145 8.215 ( 0.224 0.292 0.335) 0.498 8.220 ( -0.261 0.234 -0.087) 0.361 8.250 ( -0.335 0.035 0.780) 0.849 8.264 ( 0.159 -0.409 -0.541) 0.697 8.707 ( -0.480 -0.059 -0.132) 0.502 8.708 ( 0.442 -0.128 -0.211) 0.506 8.760 ( 0.111 0.131 0.482) 0.512 8.765 ( 0.079 -0.001 0.055) 0.096 9.006 ( -0.677 0.675 0.411) 1.040 9.016 ( 0.516 0.832 -0.587) 1.142 9.043 ( -0.477 -0.692 0.896) 1.228 9.061 ( 0.515 -0.858 -0.770) 1.262 9.622 ( 0.236 -0.012 0.677) 0.717 9.623 ( -0.089 -0.077 0.566) 0.578 9.643 ( 0.148 0.099 -0.453) 0.487 9.647 ( -0.585 -0.098 -0.892) 1.071 11.440 ( 0.102 0.115 -0.042) 0.159 11.441 ( -0.085 0.055 -0.042) 0.109 11.467 ( -0.400 0.202 0.486) 0.661 11.476 ( 0.308 -0.162 -0.329) 0.479 12.268 ( -0.304 -0.065 0.291) 0.425 12.271 ( -0.025 -0.204 -0.144) 0.251 12.285 ( 0.398 0.116 -0.038) 0.416 12.288 ( -0.400 -0.005 -0.221) 0.457 12.493 ( 0.565 0.101 0.488) 0.754 12.498 ( 0.268 -0.114 0.287) 0.409 12.504 ( -0.288 0.180 -0.079) 0.348 12.509 ( -0.435 -0.040 -0.271) 0.514 12.659 ( 0.503 0.354 1.335) 1.470 12.674 ( 0.619 -0.293 1.329) 1.495 12.690 ( -0.619 0.224 -1.511) 1.648 12.701 ( -0.741 -0.259 -1.192) 1.428 13.064 ( 0.602 0.354 1.026) 1.241 13.068 ( -0.549 0.108 0.463) 0.726 13.081 ( 0.572 0.005 -0.587) 0.820 13.086 ( -0.634 -0.173 -0.828) 1.057 13.356 ( 0.247 0.133 0.850) 0.895 13.366 ( 0.124 -0.311 0.102) 0.350 13.382 ( -0.004 0.277 0.063) 0.284 13.395 ( -0.293 -0.290 -0.814) 0.912 13.573 ( 0.641 0.116 1.171) 1.340 13.579 ( 0.259 -0.218 0.344) 0.482 13.590 ( -0.220 0.332 -0.547) 0.677 13.601 ( -0.627 -0.192 -1.206) 1.373 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 3.519 5.796 -11.939) 13.730 0.988 ( 6.353 5.538 4.344) 9.482 1.031 ( 4.532 6.097 -4.126) 8.645 1.161 ( 3.366 -1.190 0.854) 3.671 1.164 ( 0.681 -2.642 11.152) 11.481 1.188 ( 3.708 1.616 4.415) 5.988 1.310 ( 1.901 -6.214 -8.899) 11.019 1.426 ( 1.965 -2.312 4.641) 5.545 1.466 ( -1.464 -3.493 -0.521) 3.823 1.628 ( 3.036 -1.534 -1.058) 3.562 1.664 ( 5.374 5.704 -2.569) 8.247 1.695 ( 4.377 0.883 0.147) 4.468 1.818 ( -2.060 -1.228 4.045) 4.702 1.876 ( -7.063 -1.048 -2.424) 7.541 1.899 ( 1.945 -1.809 -0.618) 2.727 2.019 ( -0.643 -0.237 -1.428) 1.584 2.109 ( 0.212 0.303 -5.653) 5.665 2.152 ( -0.209 1.061 4.842) 4.962 2.260 ( -0.400 2.706 2.385) 3.629 2.308 ( -1.726 1.307 -1.359) 2.556 2.423 ( -0.513 -0.562 -0.830) 1.126 2.455 ( 0.603 -0.786 -1.806) 2.060 2.481 ( -3.573 0.245 -0.064) 3.582 2.507 ( -1.634 0.515 0.873) 1.923 2.537 ( 0.793 1.426 -1.153) 1.998 2.580 ( 4.890 3.393 0.543) 5.977 2.643 ( 1.867 -1.565 0.731) 2.544 2.714 ( 3.854 2.840 0.627) 4.828 2.776 ( -0.862 -5.577 -1.599) 5.865 2.917 ( 4.025 -3.075 0.862) 5.137 3.011 ( -2.436 2.412 0.078) 3.429 3.047 ( -1.145 -1.381 0.837) 1.980 3.176 ( -2.642 -4.292 1.193) 5.179 3.208 ( -1.863 -4.641 -0.521) 5.028 3.332 ( -3.170 1.991 -0.075) 3.744 3.384 ( -1.842 0.759 -2.275) 3.024 3.505 ( -3.306 3.928 2.133) 5.560 3.542 ( -1.748 2.143 0.750) 2.866 4.133 ( -0.736 0.004 0.208) 0.765 4.152 ( 0.437 -0.694 -0.633) 1.036 4.255 ( -1.132 0.170 0.584) 1.285 4.261 ( -0.765 -0.046 -0.114) 0.774 6.599 ( -0.444 0.006 0.511) 0.677 6.609 ( 0.090 -0.433 -0.224) 0.496 6.661 ( -0.503 0.264 -0.618) 0.839 6.665 ( -0.259 0.168 -0.101) 0.325 7.020 ( -0.190 0.102 0.120) 0.247 7.042 ( 0.822 0.896 0.290) 1.250 7.063 ( 0.049 -1.880 -0.456) 1.935 7.088 ( 1.366 -1.207 0.817) 1.997 7.138 ( -1.933 0.818 0.715) 2.218 7.156 ( -0.801 0.284 -0.516) 0.995 7.189 ( -0.656 0.309 -0.093) 0.731 7.201 ( -0.035 -0.039 -0.883) 0.884 7.926 ( 0.015 0.465 -0.303) 0.555 7.931 ( -0.121 0.676 0.362) 0.777 7.953 ( 0.240 -0.356 -1.238) 1.310 7.969 ( 0.266 -0.697 0.922) 1.185 8.193 ( -2.224 0.473 -0.082) 2.276 8.205 ( -1.848 0.194 0.299) 1.882 8.236 ( -2.289 -0.146 0.671) 2.390 8.245 ( -1.505 -0.359 -0.448) 1.611 8.696 ( -0.734 0.195 0.094) 0.765 8.712 ( 0.120 -0.454 -0.016) 0.470 8.761 ( -0.257 0.120 -0.369) 0.465 8.762 ( -0.259 0.084 -0.003) 0.272 9.010 ( 0.592 0.801 0.555) 1.140 9.032 ( 1.703 0.589 -0.251) 1.819 9.053 ( 0.483 -0.723 0.701) 1.117 9.068 ( 1.290 -0.683 -0.816) 1.673 9.625 ( 0.061 0.002 -0.408) 0.412 9.629 ( 0.156 -0.229 -0.060) 0.283 9.641 ( 0.408 0.354 0.321) 0.628 9.653 ( 0.905 -0.208 0.613) 1.113 11.435 ( -0.399 0.153 -0.063) 0.432 11.441 ( -0.116 -0.078 0.047) 0.147 11.465 ( -0.542 0.270 0.484) 0.776 11.475 ( 0.052 -0.174 -0.352) 0.396 12.267 ( -0.184 0.012 0.242) 0.305 12.270 ( 0.024 -0.050 0.194) 0.201 12.288 ( 0.476 0.161 -0.307) 0.589 12.298 ( 0.789 -0.208 0.260) 0.857 12.493 ( -0.012 0.140 -0.468) 0.489 12.501 ( 0.289 -0.196 -0.356) 0.499 12.513 ( 0.913 0.143 0.252) 0.957 12.517 ( 0.779 -0.014 0.363) 0.859 12.663 ( -0.429 0.201 -1.269) 1.355 12.674 ( -0.700 -0.247 -1.111) 1.336 12.688 ( 0.729 0.333 1.469) 1.674 12.702 ( 0.637 -0.254 1.328) 1.495 13.067 ( 0.117 0.160 -0.280) 0.343 13.073 ( 0.291 -0.131 -0.242) 0.400 13.093 ( 1.552 0.215 0.231) 1.584 13.100 ( 1.735 -0.090 0.288) 1.761 13.361 ( 0.009 0.086 -0.782) 0.787 13.366 ( 0.233 -0.118 0.109) 0.283 13.387 ( 0.260 0.111 -0.386) 0.478 13.395 ( 0.692 -0.209 0.912) 1.164 13.567 ( -1.242 0.064 -1.199) 1.728 13.572 ( -0.975 -0.189 -0.463) 1.096 13.582 ( -0.598 0.314 0.423) 0.797 13.593 ( -0.276 -0.186 1.170) 1.216 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 7.750 7.872 -9.979) 14.887 1.022 ( 5.084 4.762 -4.664) 8.383 1.131 ( 4.787 -5.123 -5.129) 8.687 1.224 ( 5.224 -1.832 1.909) 5.856 1.287 ( 1.294 -0.332 6.289) 6.430 1.319 ( 2.172 -2.212 4.704) 5.634 1.394 ( -2.652 -4.265 5.868) 7.723 1.424 ( 9.250 -3.822 2.059) 10.218 1.607 ( -1.042 2.458 -0.651) 2.748 1.628 ( 8.516 5.144 4.150) 10.779 1.702 ( -2.043 3.135 -1.059) 3.889 1.765 ( 5.375 1.128 2.413) 5.999 1.798 ( 2.950 2.157 -4.446) 5.755 1.836 ( -0.484 -0.082 4.613) 4.639 1.928 ( 0.537 0.630 1.511) 1.723 1.958 ( -1.572 -3.527 -3.828) 5.437 2.078 ( 0.197 3.119 -4.129) 5.178 2.178 ( -0.808 1.759 -0.910) 2.139 2.239 ( -1.646 -1.579 2.742) 3.567 2.321 ( -4.084 4.114 -2.398) 6.273 2.333 ( -3.079 -1.004 -0.483) 3.275 2.390 ( -3.596 -2.773 1.721) 4.856 2.447 ( -3.527 0.670 -1.019) 3.732 2.478 ( 0.528 1.050 -2.052) 2.365 2.509 ( -0.493 -4.012 -2.579) 4.795 2.651 ( 3.401 -3.892 -2.108) 5.582 2.697 ( 2.989 4.048 -0.266) 5.039 2.774 ( 6.279 3.107 2.713) 7.513 2.868 ( 5.304 -3.099 -0.547) 6.168 2.948 ( 0.462 2.615 -2.424) 3.596 2.980 ( 0.684 2.038 -0.969) 2.358 3.005 ( -3.574 -4.599 -0.731) 5.870 3.119 ( -2.022 -3.947 -3.049) 5.382 3.143 ( -4.466 -2.901 -0.696) 5.371 3.287 ( -3.704 0.666 0.757) 3.838 3.336 ( -0.696 -0.517 1.535) 1.763 3.472 ( -3.757 2.767 1.659) 4.952 3.496 ( -4.493 1.866 0.943) 4.955 4.124 ( -0.726 0.233 0.621) 0.983 4.154 ( 0.340 -0.964 -0.143) 1.032 4.239 ( -1.456 0.099 0.704) 1.620 4.243 ( -1.100 -0.089 -0.107) 1.109 6.600 ( -0.399 0.031 0.828) 0.920 6.606 ( -0.372 -0.111 0.023) 0.388 6.640 ( -0.648 0.255 -0.889) 1.129 6.654 ( -0.433 -0.200 -0.663) 0.817 7.024 ( 0.376 -0.283 0.250) 0.533 7.042 ( -1.130 -0.602 -0.844) 1.534 7.066 ( 0.585 0.601 0.141) 0.850 7.102 ( -0.839 -0.317 -0.700) 1.138 7.116 ( 0.398 0.008 -0.412) 0.573 7.146 ( -0.441 -0.807 0.552) 1.073 7.181 ( -0.248 0.710 0.566) 0.941 7.192 ( -0.268 0.277 0.141) 0.411 7.908 ( -1.245 0.538 -0.882) 1.618 7.927 ( -1.132 0.224 0.723) 1.362 7.949 ( -0.247 -0.188 -1.033) 1.078 7.962 ( -1.288 -0.202 0.029) 1.304 8.158 ( -1.561 0.336 0.246) 1.616 8.171 ( -2.108 0.362 0.392) 2.175 8.191 ( -3.382 -0.175 0.402) 3.410 8.209 ( -1.677 -0.537 -0.796) 1.932 8.684 ( -0.836 0.397 0.309) 0.976 8.712 ( -0.180 -0.783 0.152) 0.817 8.750 ( -0.343 0.210 -0.650) 0.764 8.752 ( -0.497 0.154 -0.531) 0.744 9.037 ( 1.570 0.737 0.740) 1.886 9.063 ( 2.051 0.438 -0.397) 2.134 9.073 ( 0.989 -0.704 0.574) 1.343 9.085 ( 1.593 -0.429 -0.690) 1.788 9.623 ( 0.324 0.090 -0.510) 0.611 9.632 ( 0.419 -0.430 -0.332) 0.686 9.656 ( 0.595 0.652 0.517) 1.023 9.678 ( 0.891 -0.404 0.806) 1.268 11.427 ( -0.505 0.198 0.091) 0.550 11.436 ( -0.373 -0.191 -0.161) 0.449 11.459 ( -0.626 0.367 0.287) 0.780 11.472 ( -0.099 -0.202 -0.170) 0.282 12.265 ( -0.208 0.201 0.156) 0.329 12.278 ( 0.454 -0.236 0.191) 0.546 12.293 ( 0.631 0.315 -0.498) 0.863 12.311 ( 0.438 -0.386 0.053) 0.586 12.494 ( 0.490 0.248 -0.097) 0.558 12.509 ( 0.946 -0.425 -0.158) 1.049 12.529 ( 0.770 0.159 -0.137) 0.798 12.532 ( 0.739 -0.001 0.124) 0.750 12.649 ( 0.019 0.115 -0.546) 0.559 12.655 ( -0.307 -0.133 -0.607) 0.693 12.712 ( 0.426 0.245 0.905) 1.030 12.722 ( 0.326 -0.170 0.785) 0.867 13.069 ( 0.878 0.352 -0.490) 1.065 13.087 ( 1.021 -0.401 0.350) 1.151 13.124 ( 1.883 0.308 -0.152) 1.914 13.137 ( 1.880 -0.242 0.249) 1.912 13.356 ( 0.347 0.136 -0.504) 0.627 13.369 ( 0.396 -0.525 -0.431) 0.786 13.394 ( 0.669 0.749 0.089) 1.008 13.420 ( 1.029 -0.440 0.650) 1.294 13.534 ( -1.248 0.274 -0.643) 1.430 13.549 ( -1.250 -0.481 -0.098) 1.343 13.570 ( -1.270 0.535 0.258) 1.401 13.588 ( -1.403 -0.313 0.494) 1.520 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 10.341 4.880 0.545) 11.447 1.051 ( 1.941 4.613 1.645) 5.268 1.188 ( -0.615 -4.624 0.999) 4.770 1.273 ( 6.363 2.234 0.780) 6.789 1.343 ( 1.024 -3.497 1.187) 3.832 1.418 ( -2.225 -1.404 3.246) 4.179 1.476 ( 6.949 3.297 1.756) 7.890 1.513 ( -0.594 3.072 0.374) 3.152 1.588 ( 2.809 -0.808 0.982) 3.084 1.706 ( 3.301 -0.815 0.398) 3.423 1.794 ( 0.886 -1.026 -2.798) 3.109 1.834 ( -0.938 0.474 1.667) 1.970 1.850 ( 2.077 -1.888 4.917) 5.661 1.902 ( 2.286 3.973 0.691) 4.635 1.911 ( 3.389 -0.633 7.008) 7.811 1.951 ( -3.020 1.972 2.955) 4.662 2.086 ( 3.721 0.998 -4.067) 5.602 2.134 ( 0.187 -2.538 -2.412) 3.506 2.193 ( -3.311 1.021 0.416) 3.490 2.231 ( -5.017 0.490 -1.082) 5.156 2.253 ( -0.104 4.958 -5.585) 7.469 2.321 ( -2.403 0.827 -0.250) 2.553 2.384 ( -2.268 -5.848 0.116) 6.273 2.471 ( 1.716 -2.178 -0.209) 2.781 2.533 ( -0.155 -1.519 -0.035) 1.528 2.714 ( 6.103 0.839 -1.643) 6.376 2.736 ( 2.078 -2.588 -1.344) 3.581 2.812 ( -2.586 2.494 -2.310) 4.272 2.839 ( -1.999 -0.730 -5.206) 5.624 2.938 ( 0.415 0.398 -2.835) 2.893 2.972 ( 0.028 -0.763 -0.819) 1.120 3.028 ( 3.662 0.761 -0.603) 3.789 3.037 ( -2.657 -2.721 -2.117) 4.352 3.065 ( -1.792 -1.404 -2.191) 3.160 3.245 ( -2.924 3.716 2.101) 5.174 3.359 ( -0.261 0.468 1.978) 2.050 3.406 ( -4.022 0.863 -0.826) 4.195 3.441 ( -2.543 -1.812 1.750) 3.580 4.124 ( -0.251 0.472 0.988) 1.123 4.162 ( 0.476 -1.095 0.253) 1.221 4.223 ( -1.057 -0.070 -0.061) 1.061 4.224 ( -1.183 -0.087 0.796) 1.429 6.591 ( -0.650 0.230 -0.497) 0.850 6.602 ( -0.895 -0.162 0.828) 1.230 6.628 ( 0.012 0.174 -0.266) 0.318 6.641 ( -0.081 -0.304 -0.699) 0.767 7.010 ( -0.736 0.282 -0.683) 1.043 7.031 ( 0.262 -0.643 -0.263) 0.742 7.075 ( 0.447 0.934 0.298) 1.078 7.091 ( 0.278 -0.208 -0.480) 0.592 7.114 ( 0.496 -0.153 -0.922) 1.058 7.141 ( -0.885 -0.614 0.097) 1.081 7.186 ( -0.176 0.177 0.648) 0.694 7.196 ( -0.327 0.115 0.746) 0.822 7.870 ( -2.139 0.611 -0.271) 2.241 7.899 ( -3.091 0.694 -0.561) 3.217 7.907 ( -2.063 -0.075 0.889) 2.248 7.954 ( -0.011 -0.751 -0.890) 1.165 8.124 ( -2.477 0.394 -0.200) 2.516 8.145 ( -2.081 -0.451 0.481) 2.183 8.156 ( -0.224 0.408 -0.187) 0.502 8.178 ( -0.417 -0.477 -1.327) 1.470 8.676 ( -0.695 0.585 0.565) 1.070 8.710 ( -0.241 -0.886 0.195) 0.938 8.733 ( -0.437 0.251 -0.957) 1.082 8.740 ( -0.160 0.096 -0.571) 0.600 9.074 ( 1.523 0.425 0.677) 1.720 9.088 ( 1.542 0.262 -0.644) 1.691 9.095 ( 0.805 -0.282 0.436) 0.958 9.107 ( 1.550 -0.340 -0.274) 1.610 9.624 ( 0.330 0.102 -0.388) 0.519 9.634 ( 0.376 -0.438 -0.574) 0.814 9.671 ( 0.448 0.732 0.561) 1.026 9.697 ( 0.469 -0.439 0.314) 0.715 11.420 ( -0.447 0.132 0.149) 0.489 11.426 ( -0.360 -0.115 -0.321) 0.496 11.451 ( -0.549 0.435 0.261) 0.748 11.468 ( -0.133 -0.290 -0.150) 0.352 12.264 ( -0.194 0.422 0.183) 0.499 12.286 ( 0.422 -0.478 -0.246) 0.683 12.297 ( 0.485 0.358 -0.464) 0.761 12.314 ( 0.184 -0.287 -0.459) 0.572 12.506 ( 0.629 0.282 0.416) 0.805 12.524 ( 0.729 -0.534 -0.046) 0.905 12.540 ( 0.800 0.227 -0.133) 0.842 12.545 ( 0.607 -0.053 0.093) 0.616 12.651 ( 0.216 0.008 0.026) 0.218 12.652 ( 0.405 -0.036 0.217) 0.461 12.719 ( -0.198 0.222 -0.074) 0.307 12.727 ( -0.257 -0.134 -0.058) 0.296 13.086 ( 1.209 0.479 0.138) 1.308 13.112 ( 1.200 -0.666 0.667) 1.526 13.149 ( 1.291 0.413 -0.464) 1.433 13.165 ( 1.341 -0.309 -0.274) 1.403 13.365 ( 0.889 0.077 0.284) 0.937 13.374 ( 0.678 -0.384 -0.120) 0.789 13.411 ( 1.020 0.770 0.114) 1.283 13.441 ( 0.907 -0.574 -0.024) 1.074 13.513 ( -0.798 0.321 0.040) 0.861 13.526 ( -1.441 -0.255 0.073) 1.466 13.547 ( -1.326 0.241 -0.127) 1.354 13.559 ( -2.030 -0.235 -0.166) 2.051 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.303 3.402 7.157) 7.930 1.142 ( 1.869 2.306 6.155) 6.834 1.218 ( 5.719 0.887 -0.689) 5.828 1.328 ( -2.818 4.626 -2.428) 5.936 1.375 ( 0.362 2.071 2.335) 3.142 1.383 ( 1.262 1.501 3.248) 3.794 1.511 ( -0.781 -0.152 -0.419) 0.899 1.580 ( -1.056 0.206 -0.931) 1.423 1.684 ( 0.528 -1.318 0.840) 1.650 1.703 ( 4.044 -0.139 2.007) 4.516 1.801 ( 4.350 -0.087 -0.727) 4.411 1.805 ( 0.824 -3.990 -1.499) 4.341 1.889 ( 0.506 -3.595 -1.570) 3.956 1.950 ( -6.235 0.722 4.352) 7.638 1.983 ( 3.383 1.400 1.018) 3.800 2.005 ( -5.448 0.642 1.487) 5.684 2.039 ( -3.816 -2.674 0.152) 4.662 2.086 ( 3.697 -2.078 2.395) 4.871 2.131 ( 1.066 -0.285 0.409) 1.177 2.219 ( 0.919 -0.288 -1.269) 1.593 2.261 ( 1.456 -2.912 -2.358) 4.020 2.322 ( -0.062 -2.204 -0.788) 2.342 2.437 ( 6.259 3.307 2.013) 7.359 2.448 ( -4.243 -3.337 2.076) 5.784 2.531 ( 3.592 4.192 -2.389) 6.015 2.689 ( -4.481 4.750 -3.567) 7.441 2.738 ( 0.255 0.537 -1.132) 1.278 2.760 ( -1.162 -1.988 -4.690) 5.225 2.834 ( 5.483 2.839 -0.944) 6.246 2.880 ( -2.930 0.130 -3.977) 4.942 2.904 ( 0.504 0.150 -2.497) 2.551 2.998 ( -2.415 -1.911 -0.991) 3.235 3.038 ( -0.594 -0.073 -1.585) 1.694 3.056 ( 0.221 -0.115 -1.670) 1.688 3.224 ( -1.247 1.781 2.382) 3.225 3.329 ( -3.051 -0.758 -1.822) 3.634 3.387 ( 1.580 0.149 2.122) 2.650 3.439 ( -0.651 -2.726 0.996) 2.975 4.136 ( 0.173 0.583 1.210) 1.355 4.171 ( 0.336 -0.743 -0.387) 0.902 4.208 ( -0.535 -0.192 0.412) 0.702 4.216 ( -0.652 -0.349 0.591) 0.947 6.580 ( -0.020 0.199 -0.288) 0.350 6.589 ( -0.936 -0.191 0.064) 0.958 6.631 ( 0.447 0.061 -0.053) 0.454 6.636 ( 0.008 -0.130 -0.240) 0.273 7.008 ( 0.485 0.582 0.321) 0.823 7.031 ( 0.367 -0.174 -0.570) 0.699 7.089 ( 0.117 0.249 0.382) 0.471 7.094 ( 0.447 0.164 0.346) 0.588 7.111 ( -0.590 -0.324 -0.250) 0.718 7.122 ( 0.092 -0.362 -1.205) 1.261 7.186 ( -0.639 0.005 0.480) 0.799 7.193 ( -0.152 -0.174 0.060) 0.239 7.839 ( -1.237 0.651 0.315) 1.433 7.852 ( -1.179 1.000 -0.558) 1.644 7.891 ( -0.791 -0.114 1.165) 1.412 7.935 ( -0.601 -1.155 -1.255) 1.809 8.092 ( -0.887 0.536 0.129) 1.044 8.120 ( -0.761 -0.648 -0.875) 1.328 8.149 ( -0.254 0.379 0.038) 0.458 8.165 ( 0.194 -0.337 -0.959) 1.034 8.674 ( -0.332 0.695 0.823) 1.127 8.705 ( -0.083 -0.181 -0.741) 0.767 8.721 ( -0.123 -0.201 -0.097) 0.254 8.733 ( 0.094 -0.195 -0.591) 0.630 9.096 ( 0.549 -0.045 0.124) 0.565 9.100 ( 0.181 -0.104 -0.051) 0.215 9.113 ( 0.744 0.352 0.356) 0.897 9.125 ( 0.682 -0.174 -0.213) 0.736 9.624 ( 0.124 0.072 -0.195) 0.242 9.632 ( 0.124 -0.281 -0.601) 0.675 9.683 ( 0.186 0.491 0.648) 0.834 9.701 ( -0.047 -0.286 -0.167) 0.334 11.415 ( -0.252 0.106 0.046) 0.278 11.419 ( -0.072 0.004 -0.294) 0.302 11.448 ( -0.261 0.330 0.529) 0.676 11.464 ( -0.042 -0.299 -0.334) 0.451 12.264 ( -0.147 0.533 0.402) 0.684 12.285 ( 0.210 -0.064 -0.841) 0.869 12.300 ( 0.129 -0.129 -0.059) 0.191 12.310 ( 0.118 -0.251 -0.577) 0.640 12.521 ( 0.347 0.193 0.544) 0.674 12.531 ( 0.252 -0.228 -0.108) 0.357 12.552 ( 0.473 -0.000 0.096) 0.483 12.554 ( 0.249 -0.048 0.129) 0.285 12.662 ( 0.559 0.065 0.741) 0.931 12.667 ( 0.733 -0.161 0.592) 0.956 12.706 ( -0.683 0.212 -0.715) 1.011 12.712 ( -0.869 -0.061 -0.801) 1.184 13.110 ( 0.837 0.478 0.781) 1.241 13.137 ( 0.550 -0.673 0.506) 1.006 13.156 ( 0.281 0.455 -0.459) 0.705 13.175 ( 0.404 -0.387 -0.659) 0.864 13.390 ( 1.119 -0.058 0.385) 1.185 13.392 ( 1.047 -0.099 1.202) 1.598 13.422 ( 0.027 0.515 -0.368) 0.633 13.445 ( -0.137 -0.439 -0.792) 0.916 13.505 ( -0.764 0.094 0.175) 0.789 13.506 ( -0.371 0.104 0.254) 0.462 13.525 ( -0.780 -0.049 -0.405) 0.880 13.527 ( -0.845 -0.097 -0.322) 0.910 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -7.838 2.600 7.540) 11.182 1.183 ( -5.610 4.092 1.141) 7.037 1.254 ( 0.723 -1.421 -2.271) 2.775 1.316 ( 4.621 4.268 -1.129) 6.391 1.398 ( 0.141 3.604 -0.460) 3.636 1.453 ( -5.235 -1.786 1.026) 5.626 1.468 ( 5.028 4.593 -0.661) 6.842 1.556 ( 4.441 -0.027 -0.165) 4.444 1.706 ( -5.310 -1.204 2.948) 6.192 1.749 ( -3.446 -2.233 4.112) 5.811 1.753 ( -3.859 -3.088 -1.675) 5.219 1.816 ( 0.050 -4.104 -3.014) 5.092 1.843 ( -1.214 -0.197 -0.941) 1.549 1.914 ( 1.656 -2.171 0.014) 2.730 1.974 ( -1.360 -0.060 3.705) 3.947 2.034 ( 4.260 1.359 -1.389) 4.682 2.069 ( 2.034 -1.555 3.937) 4.697 2.147 ( 0.701 2.344 -3.940) 4.638 2.165 ( -0.907 -2.507 -3.991) 4.799 2.209 ( -3.751 -0.389 1.733) 4.151 2.249 ( 6.273 -5.808 3.329) 9.174 2.299 ( 3.298 -3.481 -5.336) 7.174 2.445 ( -4.099 1.611 1.926) 4.807 2.503 ( -2.879 4.301 -1.027) 5.277 2.541 ( -1.081 2.781 -1.542) 3.359 2.636 ( 6.243 5.918 -0.502) 8.617 2.716 ( -0.150 -0.165 -1.110) 1.132 2.722 ( 1.280 -0.553 -0.475) 1.473 2.824 ( -1.368 0.549 0.281) 1.500 2.846 ( -1.208 -0.138 -1.714) 2.101 2.886 ( -5.818 2.689 -1.077) 6.499 2.973 ( 2.353 1.048 0.957) 2.748 3.017 ( 0.174 -1.683 0.383) 1.735 3.042 ( 0.654 -1.740 -0.532) 1.933 3.265 ( 0.194 -0.809 0.611) 1.032 3.283 ( 2.385 -0.420 0.782) 2.545 3.422 ( -1.258 -0.609 -1.029) 1.735 3.440 ( 2.010 -1.340 0.883) 2.572 4.154 ( 0.260 0.358 1.153) 1.234 4.162 ( -0.117 0.144 -1.217) 1.231 4.212 ( -0.195 -0.484 0.345) 0.625 4.217 ( 0.496 -0.708 0.420) 0.961 6.578 ( -0.277 0.151 -0.012) 0.316 6.586 ( 0.706 -0.151 0.188) 0.746 6.633 ( -0.034 0.085 -0.291) 0.305 6.639 ( 0.585 -0.154 -0.312) 0.681 7.020 ( -0.009 0.430 0.076) 0.437 7.025 ( 0.061 0.443 -0.899) 1.004 7.090 ( -0.778 0.021 0.317) 0.841 7.099 ( 0.208 -0.100 0.457) 0.512 7.101 ( -0.294 0.038 0.242) 0.383 7.118 ( 0.515 -0.743 -1.004) 1.351 7.184 ( -0.117 0.220 0.702) 0.744 7.197 ( 0.796 -0.330 -0.339) 0.926 7.840 ( 0.833 1.002 0.288) 1.335 7.851 ( 1.682 0.756 -0.453) 1.899 7.909 ( 1.024 -0.595 1.217) 1.698 7.918 ( 0.757 -0.784 -1.427) 1.796 8.095 ( 0.385 0.287 1.054) 1.158 8.104 ( 0.259 -0.018 -0.907) 0.944 8.149 ( -0.146 0.010 0.540) 0.559 8.160 ( 0.319 -0.334 -0.733) 0.867 8.683 ( 0.103 0.619 1.031) 1.207 8.695 ( 0.335 0.390 -1.140) 1.251 8.722 ( 0.023 -0.440 0.323) 0.546 8.730 ( 0.347 -0.447 -0.622) 0.841 9.091 ( -1.105 0.102 0.337) 1.160 9.101 ( -0.260 -0.341 0.026) 0.430 9.120 ( -0.470 0.229 0.212) 0.565 9.124 ( -0.392 0.033 -0.470) 0.613 9.624 ( -0.129 -0.010 0.127) 0.181 9.626 ( -0.155 -0.102 -0.367) 0.411 9.692 ( -0.079 0.099 0.715) 0.726 9.694 ( -0.424 0.018 -0.343) 0.546 11.414 ( 0.034 0.190 0.104) 0.219 11.418 ( 0.332 0.043 -0.212) 0.396 11.453 ( 0.002 0.083 0.667) 0.672 11.460 ( 0.145 -0.175 -0.518) 0.566 12.267 ( -0.183 0.489 0.694) 0.869 12.277 ( 0.069 0.257 -0.852) 0.892 12.301 ( -0.152 -0.327 0.264) 0.447 12.305 ( -0.037 -0.321 -0.456) 0.559 12.527 ( -0.149 0.045 0.276) 0.317 12.530 ( -0.180 -0.038 -0.301) 0.353 12.553 ( -0.554 0.024 0.078) 0.560 12.556 ( -0.253 -0.090 0.029) 0.270 12.678 ( -0.396 -0.208 -0.229) 0.502 12.678 ( -0.512 -0.166 -0.553) 0.772 12.691 ( 0.038 0.314 0.351) 0.472 12.695 ( 0.598 0.104 0.679) 0.911 13.127 ( -0.309 0.265 0.780) 0.880 13.129 ( -0.836 0.291 -0.701) 1.129 13.159 ( -0.335 -0.284 0.771) 0.888 13.165 ( -0.584 -0.399 -0.819) 1.082 13.400 ( -1.418 0.256 -0.403) 1.496 13.414 ( 0.474 0.168 0.376) 0.628 13.415 ( -1.242 -0.374 -0.515) 1.396 13.424 ( 0.219 -0.137 0.712) 0.757 13.508 ( 0.694 0.163 -0.013) 0.713 13.510 ( 0.759 0.159 -0.107) 0.783 13.521 ( 0.624 -0.118 -0.071) 0.639 13.523 ( 0.812 -0.144 -0.054) 0.826 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -13.251 5.909 1.263) 14.563 1.046 ( -7.788 1.535 -0.830) 7.981 1.256 ( -5.390 -4.777 -1.056) 7.279 1.275 ( -6.627 -4.571 1.092) 8.125 1.373 ( -0.478 1.911 -0.943) 2.184 1.419 ( 4.975 1.776 -3.452) 6.310 1.511 ( -4.711 4.730 -1.027) 6.754 1.564 ( 1.323 -0.875 -2.771) 3.193 1.653 ( -1.980 -0.246 -2.518) 3.213 1.703 ( -0.544 1.057 -0.994) 1.549 1.718 ( -0.008 0.478 4.271) 4.297 1.833 ( 1.325 -2.223 -0.255) 2.601 1.862 ( -0.938 2.060 2.768) 3.575 1.921 ( -3.914 -0.738 2.429) 4.665 2.006 ( -0.122 2.018 1.832) 2.728 2.036 ( -0.060 0.063 1.785) 1.787 2.067 ( -4.973 1.633 -3.858) 6.503 2.100 ( 0.507 0.469 -5.961) 6.001 2.171 ( -1.597 3.739 -0.929) 4.170 2.182 ( 0.660 -0.043 -0.303) 0.728 2.255 ( 8.765 -2.071 -2.116) 9.252 2.332 ( -2.592 1.535 -0.238) 3.022 2.415 ( 2.752 -0.473 -1.771) 3.306 2.471 ( 1.583 -3.510 1.056) 3.993 2.539 ( 2.839 -5.476 -2.055) 6.502 2.718 ( -1.682 -2.158 1.234) 3.002 2.721 ( -6.251 0.971 -2.136) 6.676 2.736 ( -0.053 1.448 2.290) 2.710 2.765 ( 3.476 1.714 1.882) 4.308 2.845 ( -0.931 0.478 5.022) 5.130 2.887 ( 1.112 1.117 5.100) 5.339 2.972 ( -0.595 -3.618 2.207) 4.280 3.038 ( -0.181 -1.263 0.441) 1.350 3.052 ( -0.203 -1.795 -0.141) 1.812 3.284 ( 3.279 3.719 -1.275) 5.119 3.383 ( 3.745 2.287 0.810) 4.462 3.393 ( 1.804 0.621 -0.568) 1.990 3.472 ( 2.327 -2.541 -0.897) 3.560 4.148 ( 0.328 0.384 -1.313) 1.407 4.164 ( -0.055 -0.208 0.220) 0.308 4.217 ( 0.399 -0.180 0.433) 0.615 4.233 ( 0.912 -0.817 0.060) 1.226 6.582 ( 0.574 0.390 0.333) 0.770 6.605 ( 0.951 -0.561 0.434) 1.187 6.630 ( 0.162 0.282 -0.354) 0.481 6.641 ( 0.266 -0.219 -0.689) 0.770 7.007 ( -0.130 0.432 -0.537) 0.701 7.024 ( -0.095 -0.001 0.227) 0.246 7.083 ( -0.940 -0.090 -0.132) 0.954 7.088 ( -0.425 -0.189 -0.196) 0.505 7.101 ( -0.093 0.553 0.198) 0.594 7.135 ( 1.242 -0.842 0.574) 1.606 7.193 ( 0.418 0.306 0.152) 0.540 7.208 ( 0.750 -0.231 -0.516) 0.939 7.866 ( 1.651 1.005 0.104) 1.935 7.893 ( 3.048 0.074 0.011) 3.049 7.928 ( 1.738 -0.312 -1.064) 2.061 7.938 ( 0.924 -0.329 0.494) 1.098 8.119 ( 2.216 0.385 0.151) 2.254 8.127 ( 1.489 0.136 1.556) 2.158 8.154 ( 0.039 -0.063 0.647) 0.652 8.166 ( 1.509 -0.465 -0.587) 1.685 8.692 ( 0.645 0.466 -0.957) 1.245 8.700 ( 0.453 0.304 1.028) 1.164 8.726 ( 0.235 -0.326 -0.010) 0.402 8.732 ( 0.422 -0.381 -0.160) 0.591 9.072 ( -1.672 0.289 0.610) 1.803 9.086 ( -1.460 -0.068 -0.103) 1.465 9.100 ( -1.459 -0.052 -0.132) 1.466 9.108 ( -0.941 -0.099 -0.380) 1.020 9.620 ( -0.335 0.008 -0.019) 0.336 9.623 ( -0.351 -0.146 0.422) 0.568 9.681 ( -0.603 0.364 -0.345) 0.785 9.695 ( -0.358 -0.249 0.505) 0.667 11.419 ( 0.338 0.209 0.222) 0.455 11.424 ( 0.587 0.038 -0.147) 0.606 11.458 ( 0.354 0.004 -0.381) 0.520 11.461 ( 0.113 -0.071 0.467) 0.486 12.271 ( 0.109 0.283 -0.456) 0.547 12.272 ( -0.320 0.307 0.735) 0.858 12.299 ( -0.204 -0.220 -0.349) 0.460 12.302 ( -0.225 -0.335 0.602) 0.724 12.517 ( -0.688 0.073 -0.545) 0.881 12.523 ( -0.590 -0.205 0.042) 0.626 12.538 ( -1.037 0.208 0.048) 1.058 12.546 ( -0.798 -0.138 0.017) 0.810 12.657 ( -0.748 0.036 -0.510) 0.906 12.659 ( -0.701 -0.072 -0.492) 0.859 12.710 ( 0.555 0.222 0.789) 0.990 12.718 ( 0.645 -0.114 0.835) 1.061 13.095 ( -1.645 0.588 -0.709) 1.885 13.121 ( -1.328 -0.494 0.191) 1.429 13.142 ( -1.089 0.187 -0.198) 1.123 13.155 ( -1.114 -0.341 0.665) 1.341 13.370 ( -1.390 0.145 -0.236) 1.417 13.381 ( -1.154 -0.333 -0.731) 1.406 13.413 ( -0.730 0.477 -0.079) 0.876 13.433 ( -0.499 -0.382 0.767) 0.991 13.518 ( 0.689 0.252 -0.483) 0.879 13.528 ( 1.494 -0.153 -0.098) 1.505 13.543 ( 1.602 0.190 0.239) 1.630 13.553 ( 2.165 -0.229 0.321) 2.201 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -13.863 10.569 0.482) 17.439 0.885 ( -14.874 2.412 6.138) 16.271 1.099 ( -7.217 -6.353 -1.269) 9.699 1.223 ( -2.360 -8.363 2.067) 8.932 1.294 ( -6.247 -0.702 -1.081) 6.379 1.384 ( -5.873 -1.103 0.967) 6.054 1.472 ( -1.028 5.012 -3.765) 6.353 1.540 ( 1.821 1.161 -3.794) 4.366 1.650 ( -6.444 2.894 0.373) 7.074 1.660 ( 1.172 1.371 -0.946) 2.037 1.710 ( 0.629 5.105 -0.056) 5.144 1.772 ( -6.702 3.000 -5.233) 9.017 1.816 ( -1.863 0.985 -3.459) 4.050 1.907 ( 1.671 0.515 1.962) 2.628 1.948 ( -1.303 -1.370 -2.518) 3.149 1.980 ( -0.970 3.253 1.979) 3.930 2.001 ( -0.974 0.613 -5.742) 5.856 2.144 ( 3.600 -1.993 1.827) 4.502 2.224 ( 3.095 1.909 5.154) 6.308 2.263 ( 4.921 1.018 1.592) 5.272 2.362 ( 4.609 -2.263 -0.134) 5.136 2.389 ( 6.898 -1.820 -0.259) 7.139 2.429 ( 2.460 3.039 -1.411) 4.157 2.463 ( -1.683 -3.382 0.257) 3.787 2.541 ( -2.818 -1.308 -6.377) 7.094 2.603 ( -1.686 -9.036 2.314) 9.479 2.683 ( -3.535 0.810 1.711) 4.010 2.775 ( -1.639 1.204 3.703) 4.225 2.827 ( -1.422 0.630 1.334) 2.049 2.880 ( -1.151 2.436 4.583) 5.317 2.927 ( -2.057 0.577 3.670) 4.247 2.976 ( -0.374 -0.794 2.013) 2.196 3.063 ( 0.489 -6.019 2.503) 6.537 3.091 ( 3.854 -3.383 3.218) 6.054 3.310 ( 2.442 2.204 -1.673) 3.691 3.383 ( -0.175 -0.669 -2.325) 2.426 3.481 ( 5.231 4.123 0.011) 6.661 3.544 ( 7.131 2.071 -2.289) 7.771 4.145 ( 0.922 0.173 -1.313) 1.613 4.159 ( -0.171 -0.403 -0.519) 0.679 4.233 ( 0.593 0.009 0.793) 0.990 4.249 ( 1.094 -0.677 -0.242) 1.309 6.600 ( 0.748 0.366 0.340) 0.899 6.620 ( 0.464 -0.486 -0.261) 0.722 6.631 ( 0.395 0.200 -0.408) 0.602 6.640 ( 0.446 -0.202 0.382) 0.621 7.018 ( 0.800 -0.366 0.976) 1.314 7.029 ( 0.327 -0.349 0.414) 0.633 7.064 ( -0.868 0.133 0.013) 0.878 7.086 ( 0.374 -0.178 0.481) 0.635 7.107 ( 0.455 0.891 0.282) 1.039 7.156 ( 0.620 -1.311 -0.073) 1.452 7.196 ( 0.226 0.377 -0.729) 0.851 7.205 ( -0.158 0.211 -0.857) 0.896 7.892 ( 0.906 0.783 0.578) 1.330 7.926 ( -0.369 -0.581 0.676) 0.965 7.948 ( 1.794 0.398 -0.889) 2.042 7.962 ( 1.767 0.002 0.023) 1.767 8.160 ( 1.129 0.555 0.178) 1.271 8.170 ( 2.704 0.483 0.217) 2.756 8.182 ( 1.859 -0.326 1.623) 2.489 8.202 ( 3.210 -0.658 -0.510) 3.316 8.695 ( 0.789 0.365 -0.727) 1.133 8.715 ( 0.260 -0.368 0.147) 0.474 8.735 ( 0.532 0.039 0.527) 0.750 8.741 ( 0.482 -0.026 0.353) 0.598 9.049 ( -1.890 0.413 0.784) 2.087 9.053 ( -1.540 0.608 -0.714) 1.803 9.073 ( -1.914 -0.354 0.453) 1.999 9.086 ( -0.869 -0.588 -0.589) 1.204 9.615 ( -0.355 0.052 0.243) 0.433 9.621 ( -0.456 -0.276 0.572) 0.782 9.666 ( -0.614 0.565 -0.401) 0.926 9.689 ( -0.636 -0.466 -0.099) 0.794 11.429 ( 0.443 0.147 0.253) 0.531 11.433 ( 0.587 0.113 -0.235) 0.642 11.463 ( 0.555 0.059 -0.173) 0.584 11.467 ( 0.003 -0.072 0.342) 0.350 12.270 ( 0.217 0.103 -0.267) 0.359 12.273 ( -0.450 0.060 0.639) 0.784 12.291 ( -0.267 0.122 -0.312) 0.429 12.307 ( -0.092 -0.577 0.596) 0.835 12.497 ( -0.787 0.118 -0.423) 0.901 12.508 ( -1.053 -0.349 -0.039) 1.110 12.525 ( -0.716 0.264 0.254) 0.804 12.532 ( -0.841 -0.094 0.108) 0.853 12.644 ( -0.436 0.131 0.038) 0.457 12.648 ( -0.223 -0.078 0.082) 0.250 12.721 ( 0.100 0.211 0.081) 0.247 12.729 ( 0.057 -0.139 0.083) 0.172 13.064 ( -1.314 0.706 -0.020) 1.492 13.095 ( -1.341 -0.766 -0.281) 1.570 13.120 ( -1.503 0.495 0.047) 1.583 13.137 ( -1.526 -0.340 0.252) 1.583 13.349 ( -0.886 0.156 0.171) 0.916 13.363 ( -0.532 -0.524 -0.014) 0.747 13.398 ( -0.627 0.759 -0.224) 1.010 13.426 ( -0.729 -0.515 0.054) 0.894 13.528 ( 0.814 0.460 -0.052) 0.936 13.550 ( 1.178 -0.609 -0.126) 1.332 13.573 ( 1.590 0.582 -0.064) 1.695 13.593 ( 1.876 -0.328 0.036) 1.905 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -6.743 11.788 10.985) 17.467 0.767 ( -8.507 8.946 13.240) 18.102 0.990 ( -5.400 -4.410 4.978) 8.567 1.125 ( -7.785 3.013 2.576) 8.736 1.225 ( -10.538 -2.653 0.171) 10.868 1.298 ( 1.505 -4.021 -1.251) 4.472 1.463 ( -3.937 2.025 -6.401) 7.783 1.478 ( 3.476 3.537 -4.020) 6.384 1.544 ( -1.766 -2.184 -6.041) 6.662 1.600 ( -0.705 4.396 -2.292) 5.008 1.642 ( -2.178 -1.348 -0.854) 2.700 1.741 ( -0.109 -0.186 -2.870) 2.878 1.821 ( 6.827 0.394 1.825) 7.077 1.885 ( -3.156 -4.744 -0.983) 5.782 1.930 ( -1.266 -3.383 -3.194) 4.821 1.970 ( 3.365 -1.993 -1.082) 4.058 2.061 ( 1.843 2.234 3.503) 4.545 2.174 ( -0.401 -0.396 1.132) 1.264 2.264 ( -0.366 3.191 1.884) 3.724 2.365 ( -1.305 0.998 -6.449) 6.655 2.388 ( 4.370 1.078 1.976) 4.916 2.413 ( -2.462 0.220 2.573) 3.568 2.461 ( 2.731 0.141 -0.801) 2.849 2.505 ( 1.808 1.089 1.879) 2.825 2.510 ( 4.474 -0.798 0.645) 4.590 2.611 ( -1.450 -0.068 -0.636) 1.585 2.658 ( -4.429 0.205 -0.300) 4.444 2.700 ( 0.220 0.708 0.614) 0.962 2.760 ( -6.088 -3.987 0.193) 7.280 2.901 ( -2.180 2.157 2.510) 3.963 2.964 ( 1.018 -0.082 3.963) 4.092 3.026 ( 1.198 -0.176 3.179) 3.401 3.117 ( 1.188 -7.048 4.676) 8.541 3.185 ( 1.904 -4.813 3.210) 6.090 3.343 ( 1.376 -0.680 -0.964) 1.813 3.353 ( 0.860 0.373 0.065) 0.940 3.552 ( 3.279 6.011 -1.764) 7.071 3.604 ( 3.924 4.500 -5.320) 7.997 4.148 ( 0.984 -0.187 -1.186) 1.552 4.151 ( -0.135 -0.289 -0.506) 0.598 4.251 ( 0.374 0.134 0.826) 0.917 4.263 ( 0.780 -0.355 -0.242) 0.891 6.607 ( 0.010 0.002 -0.140) 0.140 6.616 ( 0.120 -0.314 -0.867) 0.930 6.645 ( 0.735 0.330 0.760) 1.107 6.658 ( 0.585 -0.102 0.572) 0.825 7.021 ( -0.199 -0.251 -0.048) 0.324 7.050 ( -0.275 -1.580 0.985) 1.882 7.052 ( -0.044 0.729 -0.622) 0.959 7.101 ( -0.596 -1.527 -0.039) 1.640 7.141 ( 3.138 0.320 0.575) 3.206 7.150 ( -0.358 0.228 -0.198) 0.469 7.192 ( 0.295 0.232 -0.479) 0.608 7.197 ( 0.177 0.097 -0.317) 0.376 7.910 ( 0.106 0.383 0.741) 0.841 7.922 ( -0.406 0.101 1.127) 1.202 7.955 ( 0.324 0.553 -1.090) 1.265 7.981 ( 0.177 -0.558 -0.199) 0.619 8.189 ( 1.907 0.612 0.233) 2.016 8.208 ( 1.537 0.031 0.046) 1.538 8.230 ( 1.574 0.014 0.906) 1.817 8.248 ( 2.286 -0.502 -0.438) 2.381 8.702 ( 0.688 0.143 -0.450) 0.834 8.714 ( -0.104 -0.362 -0.259) 0.457 8.750 ( 0.322 0.190 0.665) 0.763 8.756 ( 0.536 0.007 0.496) 0.730 9.021 ( -1.283 0.560 -0.123) 1.406 9.028 ( -1.117 0.837 -0.199) 1.409 9.050 ( -1.391 -0.590 0.801) 1.710 9.068 ( -0.385 -0.813 -0.633) 1.100 9.614 ( -0.134 0.057 0.470) 0.492 9.620 ( -0.359 -0.276 0.600) 0.751 9.652 ( -0.414 0.458 -0.523) 0.810 9.671 ( -0.851 -0.430 -0.804) 1.247 11.437 ( 0.397 0.171 -0.175) 0.467 11.439 ( 0.231 0.082 0.095) 0.262 11.468 ( -0.204 0.064 0.312) 0.379 11.472 ( 0.515 -0.051 -0.167) 0.544 12.270 ( -0.301 -0.080 0.309) 0.439 12.272 ( 0.141 -0.124 -0.188) 0.266 12.284 ( -0.093 0.317 -0.190) 0.381 12.304 ( -0.660 -0.673 -0.204) 0.964 12.486 ( -0.267 0.165 0.185) 0.364 12.494 ( -0.459 -0.203 0.226) 0.550 12.515 ( -0.705 0.161 0.073) 0.727 12.520 ( -0.681 -0.047 0.034) 0.684 12.644 ( 0.017 0.281 0.634) 0.694 12.654 ( 0.279 -0.190 0.821) 0.887 12.714 ( -0.402 0.183 -0.924) 1.024 12.722 ( -0.435 -0.175 -0.670) 0.818 13.053 ( -0.369 0.671 0.602) 0.975 13.075 ( -0.710 -0.490 0.006) 0.862 13.094 ( -1.229 0.470 -0.285) 1.346 13.111 ( -1.379 -0.340 -0.329) 1.458 13.345 ( -0.199 0.171 0.733) 0.778 13.361 ( -0.078 -0.609 0.404) 0.735 13.388 ( -0.287 0.683 -0.268) 0.788 13.411 ( -0.625 -0.417 -0.544) 0.928 13.547 ( 0.962 0.394 0.704) 1.255 13.567 ( 0.830 -0.597 0.058) 1.024 13.591 ( 0.776 0.629 -0.440) 1.092 13.612 ( 0.679 -0.347 -0.653) 1.004 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.692 -8.801 14.590) 17.054 0.891 ( -0.692 8.801 14.590) 17.054 1.017 ( -1.522 -6.411 3.811) 7.612 1.017 ( -1.522 6.411 3.811) 7.612 1.285 ( 5.388 -2.303 -6.714) 8.911 1.285 ( 5.388 2.303 -6.714) 8.911 1.395 ( 2.036 -5.200 -5.787) 8.042 1.395 ( 2.036 5.200 -5.787) 8.042 1.436 ( -6.526 -5.717 -5.801) 10.436 1.436 ( -6.526 5.717 -5.801) 10.436 1.690 ( 1.608 -1.274 -0.647) 2.151 1.690 ( 1.608 1.274 -0.647) 2.151 1.781 ( -0.757 -2.654 2.730) 3.882 1.781 ( -0.757 2.654 2.730) 3.882 2.008 ( 4.464 -2.630 2.426) 5.721 2.008 ( 4.464 2.630 2.426) 5.721 2.120 ( -2.411 -4.451 -1.240) 5.211 2.120 ( -2.411 4.451 -1.240) 5.211 2.318 ( -1.708 -1.345 -0.872) 2.342 2.318 ( -1.708 1.345 -0.872) 2.342 2.431 ( -0.257 -1.827 1.783) 2.565 2.431 ( -0.257 1.827 1.783) 2.565 2.555 ( 0.594 -0.938 0.109) 1.115 2.555 ( 0.594 0.938 0.109) 1.115 2.578 ( 1.117 -2.817 0.326) 3.048 2.578 ( 1.117 2.817 0.326) 3.048 2.609 ( 0.085 -1.171 -0.462) 1.262 2.609 ( 0.085 1.171 -0.462) 1.262 2.776 ( -0.592 -3.174 -0.799) 3.326 2.776 ( -0.592 3.174 -0.799) 3.326 3.071 ( -1.086 -3.723 3.960) 5.543 3.071 ( -1.086 3.723 3.960) 5.543 3.122 ( 0.491 -3.910 1.471) 4.206 3.122 ( 0.491 3.910 1.471) 4.206 3.396 ( 1.049 -0.443 1.623) 1.982 3.396 ( 1.049 0.443 1.623) 1.982 3.605 ( -1.114 -0.412 -3.881) 4.059 3.605 ( -1.114 0.412 -3.881) 4.059 4.143 ( 0.250 -0.299 -0.754) 0.849 4.143 ( 0.250 0.299 -0.754) 0.849 4.265 ( -0.193 -0.229 0.443) 0.535 4.265 ( -0.193 0.229 0.443) 0.535 6.604 ( -0.088 -0.198 -0.229) 0.315 6.604 ( -0.088 0.198 -0.229) 0.315 6.668 ( 0.218 -0.150 0.309) 0.407 6.668 ( 0.218 0.150 0.309) 0.407 7.031 ( 0.156 -0.576 0.446) 0.746 7.031 ( 0.156 0.576 0.446) 0.746 7.056 ( -0.319 -0.638 -0.617) 0.943 7.056 ( -0.319 0.638 -0.617) 0.943 7.163 ( -0.259 -0.575 0.413) 0.754 7.163 ( -0.259 0.575 0.413) 0.754 7.200 ( 0.486 -0.234 -0.313) 0.624 7.200 ( 0.486 0.234 -0.313) 0.624 7.930 ( 0.179 -0.811 1.216) 1.473 7.930 ( 0.179 0.811 1.216) 1.473 7.955 ( -0.201 -0.828 -1.125) 1.411 7.955 ( -0.201 0.828 -1.125) 1.411 8.221 ( -0.090 -0.190 0.301) 0.367 8.221 ( -0.090 0.190 0.301) 0.367 8.255 ( -0.010 -0.447 -0.062) 0.451 8.255 ( -0.010 0.447 -0.062) 0.451 8.706 ( -0.006 -0.019 -0.193) 0.194 8.706 ( -0.006 0.019 -0.193) 0.194 8.763 ( 0.076 -0.146 0.288) 0.332 8.763 ( 0.076 0.146 0.288) 0.332 9.022 ( -0.532 -0.838 0.510) 1.116 9.022 ( -0.532 0.838 0.510) 1.116 9.041 ( 0.467 -1.041 -0.528) 1.257 9.041 ( 0.467 1.041 -0.528) 1.257 9.622 ( 0.108 -0.042 0.604) 0.615 9.622 ( 0.108 0.042 0.604) 0.615 9.645 ( -0.233 -0.122 -0.652) 0.703 9.645 ( -0.233 0.122 -0.652) 0.703 11.441 ( -0.034 -0.018 -0.016) 0.042 11.441 ( -0.034 0.018 -0.016) 0.042 11.472 ( -0.004 -0.271 0.024) 0.273 11.472 ( -0.004 0.271 0.024) 0.273 12.268 ( -0.137 -0.106 0.099) 0.199 12.268 ( -0.137 0.106 0.099) 0.199 12.287 ( 0.050 -0.088 -0.125) 0.160 12.287 ( 0.050 0.088 -0.125) 0.160 12.496 ( 0.424 -0.125 0.391) 0.590 12.496 ( 0.424 0.125 0.391) 0.590 12.507 ( -0.378 -0.138 -0.178) 0.440 12.507 ( -0.378 0.138 -0.178) 0.440 12.667 ( 0.569 -0.429 1.299) 1.482 12.667 ( 0.569 0.429 1.299) 1.482 12.695 ( -0.697 -0.326 -1.320) 1.528 12.695 ( -0.697 0.326 -1.320) 1.528 13.069 ( 0.166 -0.101 0.591) 0.622 13.069 ( 0.166 0.101 0.591) 0.622 13.082 ( -0.172 -0.153 -0.609) 0.651 13.082 ( -0.172 0.153 -0.609) 0.651 13.360 ( 0.230 -0.270 0.640) 0.731 13.360 ( 0.230 0.270 0.640) 0.731 13.389 ( -0.191 -0.346 -0.532) 0.662 13.389 ( -0.191 0.346 -0.532) 0.662 13.575 ( 0.475 -0.166 0.787) 0.934 13.575 ( 0.475 0.166 0.787) 0.934 13.596 ( -0.451 -0.308 -0.920) 1.070 13.596 ( -0.451 0.308 -0.920) 1.070 ======================= Grid point 110 (62/69) ======================= q-point: ( 0.11 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 4.738 -6.735 -3.407) 8.912 1.031 ( 4.738 6.735 -3.407) 8.912 1.105 ( 4.353 -5.111 5.584) 8.732 1.105 ( 4.353 5.111 5.584) 8.732 1.200 ( 1.156 -4.730 -5.758) 7.541 1.200 ( 1.156 4.730 -5.758) 7.541 1.261 ( -5.841 -7.963 2.855) 10.280 1.261 ( -5.841 7.963 2.855) 10.280 1.543 ( 9.060 -6.390 2.093) 11.282 1.543 ( 9.060 6.390 2.093) 11.282 1.722 ( 1.439 -3.456 -1.789) 4.149 1.722 ( 1.439 3.456 -1.789) 4.149 1.808 ( 1.496 -2.053 1.891) 3.167 1.808 ( 1.496 2.053 1.891) 3.167 1.960 ( -2.866 -4.210 -4.853) 7.035 1.960 ( -2.866 4.210 -4.853) 7.035 2.156 ( 2.911 -2.028 1.115) 3.719 2.156 ( 2.911 2.028 1.115) 3.719 2.302 ( -3.546 -2.034 1.882) 4.500 2.302 ( -3.546 2.034 1.882) 4.500 2.434 ( 0.852 -1.842 0.265) 2.047 2.434 ( 0.852 1.842 0.265) 2.047 2.513 ( -4.069 -2.571 -0.339) 4.825 2.513 ( -4.069 2.571 -0.339) 4.825 2.550 ( -0.907 -4.495 -2.037) 5.018 2.550 ( -0.907 4.495 -2.037) 5.018 2.687 ( 5.892 -4.217 -0.319) 7.253 2.687 ( 5.892 4.217 -0.319) 7.253 2.802 ( 3.361 -6.503 1.072) 7.398 2.802 ( 3.361 6.503 1.072) 7.398 3.069 ( -2.457 -1.342 1.669) 3.259 3.069 ( -2.457 1.342 1.669) 3.259 3.115 ( -1.607 -2.250 -1.200) 3.014 3.115 ( -1.607 2.250 -1.200) 3.014 3.376 ( -3.019 -1.677 -1.600) 3.807 3.376 ( -3.019 1.677 -1.600) 3.807 3.557 ( -3.053 -1.003 1.960) 3.764 3.557 ( -3.053 1.003 1.960) 3.764 4.138 ( -0.112 -0.609 -0.319) 0.697 4.138 ( -0.112 0.609 -0.319) 0.697 4.259 ( -1.004 -0.174 0.294) 1.060 4.259 ( -1.004 0.174 0.294) 1.060 6.602 ( -0.119 -0.284 0.183) 0.359 6.602 ( -0.119 0.284 0.183) 0.359 6.665 ( -0.432 -0.147 -0.410) 0.614 6.665 ( -0.432 0.147 -0.410) 0.614 7.032 ( -0.065 -1.158 -0.248) 1.187 7.032 ( -0.065 1.158 -0.248) 1.187 7.064 ( 1.075 -1.213 0.456) 1.684 7.064 ( 1.075 1.213 0.456) 1.684 7.152 ( -1.345 -0.590 0.151) 1.477 7.152 ( -1.345 0.590 0.151) 1.477 7.197 ( -0.166 -0.370 -0.487) 0.634 7.197 ( -0.166 0.370 -0.487) 0.634 7.937 ( -0.307 -0.472 -0.524) 0.769 7.937 ( -0.307 0.472 -0.524) 0.769 7.953 ( 0.502 -0.777 0.471) 1.037 7.953 ( 0.502 0.777 0.471) 1.037 8.203 ( -2.095 -0.438 0.228) 2.152 8.203 ( -2.095 0.438 0.228) 2.152 8.237 ( -1.843 -0.361 -0.022) 1.878 8.237 ( -1.843 0.361 -0.022) 1.878 8.702 ( -0.341 -0.444 0.019) 0.560 8.702 ( -0.341 0.444 0.019) 0.560 8.763 ( -0.222 -0.035 -0.159) 0.275 8.763 ( -0.222 0.035 -0.159) 0.275 9.029 ( 0.590 -1.046 0.658) 1.370 9.029 ( 0.590 1.046 0.658) 1.370 9.052 ( 1.456 -0.861 -0.557) 1.781 9.052 ( 1.456 0.861 -0.557) 1.781 9.626 ( 0.093 -0.089 -0.254) 0.285 9.626 ( 0.093 0.089 -0.254) 0.285 9.648 ( 0.677 -0.325 0.463) 0.882 9.648 ( 0.677 0.325 0.463) 0.882 11.438 ( -0.326 -0.169 0.047) 0.370 11.438 ( -0.326 0.169 0.047) 0.370 11.471 ( -0.182 -0.310 0.013) 0.359 11.471 ( -0.182 0.310 0.013) 0.359 12.268 ( -0.006 -0.129 0.155) 0.202 12.268 ( -0.006 0.129 0.155) 0.202 12.293 ( 0.593 -0.299 -0.048) 0.665 12.293 ( 0.593 0.299 -0.048) 0.665 12.497 ( 0.114 -0.207 -0.402) 0.466 12.497 ( 0.114 0.207 -0.402) 0.466 12.516 ( 0.836 -0.098 0.307) 0.896 12.516 ( 0.836 0.098 0.307) 0.896 12.669 ( -0.581 -0.308 -1.146) 1.321 12.669 ( -0.581 0.308 -1.146) 1.321 12.695 ( 0.703 -0.397 1.364) 1.585 12.695 ( 0.703 0.397 1.364) 1.585 13.070 ( 0.159 -0.179 -0.187) 0.304 13.070 ( 0.159 0.179 -0.187) 0.304 13.097 ( 1.637 -0.197 0.190) 1.660 13.097 ( 1.637 0.197 0.190) 1.660 13.364 ( 0.074 -0.147 -0.487) 0.514 13.364 ( 0.074 0.147 -0.487) 0.514 13.391 ( 0.551 -0.239 0.412) 0.729 13.391 ( 0.551 0.239 0.412) 0.729 13.569 ( -1.137 -0.125 -0.869) 1.437 13.569 ( -1.137 0.125 -0.869) 1.437 13.588 ( -0.420 -0.302 0.840) 0.986 13.588 ( -0.420 0.302 0.840) 0.986 ======================= Grid point 112 (63/69) ======================= q-point: ( 0.22 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 4.322 -8.527 -6.497) 11.558 1.001 ( 4.322 8.527 -6.497) 11.558 1.142 ( 3.359 -6.321 -5.691) 9.145 1.142 ( 3.359 6.321 -5.691) 9.145 1.288 ( 4.637 -0.761 4.523) 6.523 1.288 ( 4.637 0.761 4.523) 6.523 1.357 ( 4.386 -1.716 9.294) 10.419 1.357 ( 4.386 1.716 9.294) 10.419 1.669 ( 0.204 -4.054 0.976) 4.175 1.669 ( 0.204 4.054 0.976) 4.175 1.741 ( 4.038 -4.134 2.859) 6.448 1.741 ( 4.038 4.134 2.859) 6.448 1.840 ( -0.682 -1.629 0.164) 1.774 1.840 ( -0.682 1.629 0.164) 1.774 1.919 ( 2.198 -0.792 -0.507) 2.390 1.919 ( 2.198 0.792 -0.507) 2.390 2.165 ( -0.893 -4.371 -3.273) 5.533 2.165 ( -0.893 4.371 -3.273) 5.533 2.283 ( 0.092 -3.910 1.446) 4.170 2.283 ( 0.092 3.910 1.446) 4.170 2.365 ( -7.112 -2.061 -0.492) 7.421 2.365 ( -7.112 2.061 -0.492) 7.421 2.456 ( -1.798 -2.845 -1.413) 3.651 2.456 ( -1.798 2.845 -1.413) 3.651 2.524 ( 2.358 -4.851 -4.625) 7.105 2.524 ( 2.358 4.851 -4.625) 7.105 2.791 ( 4.074 -4.630 -0.965) 6.242 2.791 ( 4.074 4.630 -0.965) 6.242 2.878 ( 3.568 -6.109 2.024) 7.358 2.878 ( 3.568 6.109 2.024) 7.358 3.027 ( -1.607 -3.938 -3.341) 5.409 3.027 ( -1.607 3.938 -3.341) 5.409 3.063 ( -1.801 -4.262 -0.570) 4.662 3.063 ( -1.801 4.262 -0.570) 4.662 3.318 ( -2.176 -1.694 0.954) 2.918 3.318 ( -2.176 1.694 0.954) 2.918 3.509 ( -5.541 -0.728 1.956) 5.921 3.509 ( -5.541 0.728 1.956) 5.921 4.135 ( -0.180 -0.898 0.230) 0.944 4.135 ( -0.180 0.898 0.230) 0.944 4.241 ( -1.295 -0.104 0.240) 1.321 4.241 ( -1.295 0.104 0.240) 1.321 6.602 ( -0.297 -0.212 0.478) 0.601 6.602 ( -0.297 0.212 0.478) 0.601 6.648 ( -0.625 -0.408 -0.858) 1.137 6.648 ( -0.625 0.408 -0.858) 1.137 7.027 ( -0.134 -0.567 -0.368) 0.690 7.027 ( -0.134 0.567 -0.368) 0.690 7.084 ( 0.680 -1.103 -0.196) 1.311 7.084 ( 0.680 1.103 -0.196) 1.311 7.129 ( -0.897 -0.903 -0.040) 1.274 7.129 ( -0.897 0.903 -0.040) 1.274 7.192 ( -0.230 -0.313 0.332) 0.511 7.192 ( -0.230 0.313 0.332) 0.511 7.921 ( -1.088 -0.698 -0.416) 1.358 7.921 ( -1.088 0.698 -0.416) 1.358 7.954 ( -0.817 -0.572 -0.063) 0.999 7.954 ( -0.817 0.572 -0.063) 0.999 8.168 ( -2.203 -0.557 0.654) 2.364 8.168 ( -2.203 0.557 0.654) 2.364 8.196 ( -2.246 -0.680 -0.546) 2.410 8.196 ( -2.246 0.680 -0.546) 2.410 8.696 ( -0.535 -0.758 0.250) 0.961 8.696 ( -0.535 0.758 0.250) 0.961 8.753 ( -0.384 -0.062 -0.597) 0.713 8.753 ( -0.384 0.062 -0.597) 0.713 9.055 ( 1.325 -1.020 0.738) 1.828 9.055 ( 1.325 1.020 0.738) 1.828 9.074 ( 1.788 -0.628 -0.611) 1.991 9.074 ( 1.788 0.628 -0.611) 1.991 9.626 ( 0.358 -0.243 -0.440) 0.617 9.626 ( 0.358 0.243 -0.440) 0.617 9.668 ( 0.778 -0.616 0.661) 1.192 9.668 ( 0.778 0.616 0.661) 1.192 11.431 ( -0.498 -0.246 0.048) 0.557 11.431 ( -0.498 0.246 0.048) 0.557 11.466 ( -0.311 -0.369 -0.013) 0.482 11.466 ( -0.311 0.369 -0.013) 0.482 12.271 ( 0.149 -0.361 0.092) 0.401 12.271 ( 0.149 0.361 0.092) 0.401 12.302 ( 0.581 -0.524 -0.214) 0.811 12.302 ( 0.581 0.524 -0.214) 0.811 12.500 ( 0.669 -0.420 -0.131) 0.801 12.500 ( 0.669 0.420 -0.131) 0.801 12.532 ( 0.774 -0.078 -0.005) 0.778 12.532 ( 0.774 0.078 -0.005) 0.778 12.652 ( -0.157 -0.166 -0.554) 0.599 12.652 ( -0.157 0.166 -0.554) 0.599 12.718 ( 0.383 -0.287 0.838) 0.965 12.718 ( 0.383 0.287 0.838) 0.965 13.078 ( 0.896 -0.473 -0.054) 1.015 13.078 ( 0.896 0.473 -0.054) 1.015 13.131 ( 1.880 -0.354 0.047) 1.914 13.131 ( 1.880 0.354 0.047) 1.914 13.360 ( 0.364 -0.321 -0.506) 0.701 13.360 ( 0.364 0.321 -0.506) 0.701 13.408 ( 0.869 -0.699 0.389) 1.181 13.408 ( 0.869 0.699 0.389) 1.181 13.541 ( -1.230 -0.427 -0.358) 1.351 13.541 ( -1.230 0.427 -0.358) 1.351 13.580 ( -1.355 -0.500 0.393) 1.497 13.580 ( -1.355 0.500 0.393) 1.497 ======================= Grid point 114 (64/69) ======================= q-point: ( 0.33 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 4.894 -6.240 1.905) 8.156 1.070 ( 4.894 6.240 1.905) 8.156 1.193 ( 6.989 -8.194 -2.532) 11.063 1.193 ( 6.989 8.194 -2.532) 11.063 1.349 ( -0.321 -3.583 4.539) 5.791 1.349 ( -0.321 3.583 4.539) 5.791 1.546 ( 6.676 -3.361 1.382) 7.601 1.546 ( 6.676 3.361 1.382) 7.601 1.650 ( -1.003 -6.378 1.115) 6.552 1.650 ( -1.003 6.378 1.115) 6.552 1.800 ( -1.736 -2.245 -1.596) 3.256 1.800 ( -1.736 2.245 -1.596) 3.256 1.855 ( 1.479 -2.561 7.237) 7.818 1.855 ( 1.479 2.561 7.237) 7.818 1.988 ( 1.591 -1.481 1.867) 2.865 1.988 ( 1.591 1.481 1.867) 2.865 2.071 ( -4.186 -1.302 -2.405) 5.001 2.071 ( -4.186 1.302 -2.405) 5.001 2.242 ( -5.922 -2.197 -1.043) 6.401 2.242 ( -5.922 2.197 -1.043) 6.401 2.301 ( 1.876 -2.370 -0.962) 3.172 2.301 ( 1.876 2.370 -0.962) 3.172 2.410 ( -1.643 -6.758 -2.772) 7.487 2.410 ( -1.643 6.758 -2.772) 7.487 2.567 ( 7.538 -7.003 -1.506) 10.399 2.567 ( 7.538 7.003 -1.506) 10.399 2.787 ( -0.420 -3.176 -2.173) 3.871 2.787 ( -0.420 3.176 -2.173) 3.871 2.921 ( -1.581 -5.778 -1.631) 6.208 2.921 ( -1.581 5.778 -1.631) 6.208 2.966 ( -0.372 -2.007 -3.338) 3.913 2.966 ( -0.372 2.007 -3.338) 3.913 3.050 ( 1.981 -0.847 -1.542) 2.649 3.050 ( 1.981 0.847 -1.542) 2.649 3.327 ( -0.448 -3.870 3.162) 5.018 3.327 ( -0.448 3.870 3.162) 5.018 3.418 ( -5.526 -0.456 0.006) 5.544 3.418 ( -5.526 0.456 0.006) 5.544 4.139 ( 0.123 -1.091 0.712) 1.309 4.139 ( 0.123 1.091 0.712) 1.309 4.222 ( -1.090 -0.054 0.233) 1.116 4.222 ( -1.090 0.054 0.233) 1.116 6.597 ( -0.775 -0.311 0.119) 0.844 6.597 ( -0.775 0.311 0.119) 0.844 6.633 ( -0.021 -0.375 -0.460) 0.594 6.633 ( -0.021 0.375 -0.460) 0.594 7.019 ( -0.146 -0.574 -0.317) 0.671 7.019 ( -0.146 0.574 -0.317) 0.671 7.087 ( 0.556 -0.254 -0.453) 0.761 7.087 ( 0.556 0.254 -0.453) 0.761 7.123 ( -0.214 -0.979 -0.095) 1.007 7.123 ( -0.214 0.979 -0.095) 1.007 7.193 ( -0.442 -0.356 0.566) 0.801 7.193 ( -0.442 0.356 0.566) 0.801 7.887 ( -2.477 -0.958 0.118) 2.658 7.887 ( -2.477 0.958 0.118) 2.658 7.931 ( -1.243 -1.490 -0.488) 2.000 7.931 ( -1.243 1.490 -0.488) 2.000 8.134 ( -2.327 -0.633 0.212) 2.421 8.134 ( -2.327 0.633 0.212) 2.421 8.166 ( -0.253 -0.628 -0.825) 1.067 8.166 ( -0.253 0.628 -0.825) 1.067 8.691 ( -0.464 -0.958 0.498) 1.175 8.691 ( -0.464 0.958 0.498) 1.175 8.738 ( -0.282 -0.247 -0.868) 0.946 8.738 ( -0.282 0.247 -0.868) 0.946 9.083 ( 1.071 -0.540 0.347) 1.248 9.083 ( 1.071 0.540 0.347) 1.248 9.099 ( 1.629 -0.489 -0.242) 1.718 9.099 ( 1.629 0.489 -0.242) 1.718 9.627 ( 0.350 -0.274 -0.447) 0.631 9.627 ( 0.350 0.274 -0.447) 0.631 9.685 ( 0.482 -0.713 0.402) 0.949 9.685 ( 0.482 0.713 0.402) 0.949 11.423 ( -0.453 -0.171 0.006) 0.484 11.423 ( -0.453 0.171 0.006) 0.484 11.460 ( -0.301 -0.487 -0.033) 0.573 11.460 ( -0.301 0.487 -0.033) 0.573 12.274 ( 0.116 -0.635 0.059) 0.648 12.274 ( 0.116 0.635 0.059) 0.648 12.306 ( 0.382 -0.466 -0.564) 0.825 12.306 ( 0.382 0.466 -0.564) 0.825 12.514 ( 0.704 -0.492 0.208) 0.884 12.514 ( 0.704 0.492 0.208) 0.884 12.543 ( 0.665 -0.129 -0.040) 0.679 12.543 ( 0.665 0.129 -0.040) 0.679 12.651 ( 0.302 -0.030 0.124) 0.328 12.651 ( 0.302 0.030 0.124) 0.328 12.724 ( -0.223 -0.244 -0.060) 0.337 12.724 ( -0.223 0.244 -0.060) 0.337 13.098 ( 1.170 -0.730 0.405) 1.437 13.098 ( 1.170 0.730 0.405) 1.437 13.158 ( 1.324 -0.435 -0.366) 1.440 13.158 ( 1.324 0.435 -0.366) 1.440 13.368 ( 0.812 -0.232 0.114) 0.852 13.368 ( 0.812 0.232 0.114) 0.852 13.427 ( 0.940 -0.843 -0.001) 1.263 13.427 ( 0.940 0.843 -0.001) 1.263 13.520 ( -1.030 -0.382 0.083) 1.102 13.520 ( -1.030 0.382 0.083) 1.102 13.553 ( -1.772 -0.332 -0.155) 1.809 13.553 ( -1.772 0.332 -0.155) 1.809 ======================= Grid point 116 (65/69) ======================= q-point: ( 0.44 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.394 -1.517 4.945) 5.187 1.149 ( -0.394 1.517 4.945) 5.187 1.297 ( 4.323 -5.408 2.400) 7.328 1.297 ( 4.323 5.408 2.400) 7.328 1.421 ( 3.895 -4.173 0.570) 5.736 1.421 ( 3.895 4.173 0.570) 5.736 1.541 ( -2.755 -4.629 0.093) 5.388 1.541 ( -2.755 4.629 0.093) 5.388 1.710 ( -0.084 -4.326 1.330) 4.526 1.710 ( -0.084 4.326 1.330) 4.526 1.768 ( 1.641 -1.289 -1.497) 2.568 1.768 ( 1.641 1.289 -1.497) 2.568 1.867 ( -2.322 -3.655 -3.038) 5.289 1.867 ( -2.322 3.655 -3.038) 5.289 2.010 ( -2.798 -0.543 4.209) 5.083 2.010 ( -2.798 0.543 4.209) 5.083 2.054 ( 1.788 -2.300 4.003) 4.951 2.054 ( 1.788 2.300 4.003) 4.951 2.153 ( -1.369 -2.997 -1.964) 3.836 2.153 ( -1.369 2.997 -1.964) 3.836 2.279 ( -0.993 -2.845 -3.849) 4.888 2.279 ( -0.993 2.845 -3.849) 4.888 2.433 ( 3.467 -1.392 2.666) 4.590 2.433 ( 3.467 1.392 2.666) 4.590 2.670 ( 3.491 -7.245 -1.472) 8.175 2.670 ( 3.491 7.245 -1.472) 8.175 2.742 ( -1.402 -0.902 -2.233) 2.787 2.742 ( -1.402 0.902 -2.233) 2.787 2.875 ( -0.595 -1.117 -2.824) 3.095 2.875 ( -0.595 1.117 -2.824) 3.095 2.930 ( 1.974 -3.378 -0.825) 3.999 2.930 ( 1.974 3.378 -0.825) 3.999 3.055 ( -0.861 -0.702 -2.239) 2.499 3.055 ( -0.861 0.702 -2.239) 2.499 3.284 ( -4.442 -3.750 -0.755) 5.862 3.284 ( -4.442 3.750 -0.755) 5.862 3.397 ( 0.790 -1.103 1.808) 2.261 3.397 ( 0.790 1.103 1.808) 2.261 4.152 ( 0.360 -1.041 0.681) 1.295 4.152 ( 0.360 1.041 0.681) 1.295 4.209 ( -0.667 -0.280 0.227) 0.758 4.209 ( -0.667 0.280 0.227) 0.758 6.585 ( -0.484 -0.279 -0.081) 0.564 6.585 ( -0.484 0.279 -0.081) 0.564 6.633 ( 0.247 -0.137 -0.194) 0.342 6.633 ( 0.247 0.137 -0.194) 0.342 7.022 ( 0.472 -0.718 0.224) 0.888 7.022 ( 0.472 0.718 0.224) 0.888 7.095 ( 0.414 -0.101 0.073) 0.433 7.095 ( 0.414 0.101 0.073) 0.433 7.111 ( -0.372 -0.500 -0.776) 0.995 7.111 ( -0.372 0.500 -0.776) 0.995 7.189 ( -0.441 -0.246 0.254) 0.565 7.189 ( -0.441 0.246 0.254) 0.565 7.855 ( -1.178 -0.733 0.399) 1.444 7.855 ( -1.178 0.733 0.399) 1.444 7.906 ( -0.753 -1.548 -0.532) 1.802 7.906 ( -0.753 1.548 -0.532) 1.802 8.106 ( -0.892 -0.796 -0.145) 1.205 8.106 ( -0.892 0.796 -0.145) 1.205 8.157 ( 0.042 -0.461 -0.695) 0.834 8.157 ( 0.042 0.461 -0.695) 0.834 8.691 ( -0.212 -0.962 0.580) 1.143 8.691 ( -0.212 0.962 0.580) 1.143 8.726 ( 0.001 -0.478 -0.875) 0.997 8.726 ( 0.001 0.478 -0.875) 0.997 9.097 ( 0.290 -0.128 0.035) 0.319 9.097 ( 0.290 0.128 0.035) 0.319 9.120 ( 0.774 -0.344 0.077) 0.850 9.120 ( 0.774 0.344 0.077) 0.850 9.627 ( 0.133 -0.205 -0.348) 0.426 9.627 ( 0.133 0.205 -0.348) 0.426 9.693 ( 0.068 -0.502 0.191) 0.541 9.693 ( 0.068 0.502 0.191) 0.541 11.417 ( -0.185 -0.127 -0.012) 0.225 11.417 ( -0.185 0.127 -0.012) 0.225 11.456 ( -0.133 -0.462 -0.017) 0.481 11.456 ( -0.133 0.462 -0.017) 0.481 12.276 ( 0.022 -0.686 0.121) 0.697 12.276 ( 0.022 0.686 0.121) 0.697 12.303 ( 0.144 -0.386 -0.659) 0.777 12.303 ( 0.144 0.386 -0.659) 0.777 12.526 ( 0.324 -0.301 0.249) 0.508 12.526 ( 0.324 0.301 0.249) 0.508 12.553 ( 0.335 -0.067 0.095) 0.355 12.553 ( 0.335 0.067 0.095) 0.355 12.664 ( 0.618 -0.144 0.629) 0.893 12.664 ( 0.618 0.144 0.629) 0.893 12.710 ( -0.751 -0.178 -0.725) 1.059 12.710 ( -0.751 0.178 -0.725) 1.059 13.122 ( 0.705 -0.741 0.772) 1.282 13.122 ( 0.705 0.741 0.772) 1.282 13.166 ( 0.322 -0.516 -0.689) 0.919 13.166 ( 0.322 0.516 -0.689) 0.919 13.390 ( 1.081 -0.056 0.834) 1.367 13.390 ( 1.081 0.056 0.834) 1.367 13.434 ( -0.045 -0.634 -0.638) 0.901 13.434 ( -0.045 0.634 -0.638) 0.901 13.506 ( -0.589 -0.046 0.281) 0.654 13.506 ( -0.589 0.046 0.281) 0.654 13.525 ( -0.797 -0.078 -0.409) 0.900 13.525 ( -0.797 0.078 -0.409) 0.900 ======================= Grid point 118 (66/69) ======================= q-point: (-0.44 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -2.854 -2.823 3.718) 5.472 1.171 ( -2.854 2.823 3.718) 5.472 1.339 ( -6.364 -6.971 0.264) 9.443 1.339 ( -6.364 6.971 0.264) 9.443 1.417 ( 0.581 -2.521 -1.449) 2.965 1.417 ( 0.581 2.521 -1.449) 2.965 1.549 ( 2.175 -2.682 1.185) 3.651 1.549 ( 2.175 2.682 1.185) 3.651 1.705 ( -1.178 -1.478 1.520) 2.426 1.705 ( -1.178 1.478 1.520) 2.426 1.760 ( -0.669 -3.584 0.314) 3.660 1.760 ( -0.669 3.584 0.314) 3.660 1.832 ( 1.967 -3.352 -2.715) 4.741 1.832 ( 1.967 3.352 -2.715) 4.741 2.012 ( -1.790 -3.415 2.308) 4.494 2.012 ( -1.790 3.415 2.308) 4.494 2.095 ( 1.371 -3.685 0.922) 4.039 2.095 ( 1.371 3.685 0.922) 4.039 2.194 ( 3.166 -1.449 1.987) 4.009 2.194 ( 3.166 1.449 1.987) 4.009 2.232 ( 1.595 -2.899 -4.774) 5.809 2.232 ( 1.595 2.899 -4.774) 5.809 2.479 ( -0.470 -2.211 -1.274) 2.594 2.479 ( -0.470 2.211 -1.274) 2.594 2.662 ( -1.342 -4.179 -0.969) 4.495 2.662 ( -1.342 4.179 -0.969) 4.495 2.718 ( 1.143 -0.336 -0.619) 1.343 2.718 ( 1.143 0.336 -0.619) 1.343 2.837 ( -1.493 -0.672 0.090) 1.640 2.837 ( -1.493 0.672 0.090) 1.640 2.944 ( -6.121 -2.943 -1.791) 7.024 2.944 ( -6.121 2.943 -1.791) 7.024 3.013 ( 2.776 -0.817 1.343) 3.190 3.013 ( 2.776 0.817 1.343) 3.190 3.265 ( 3.002 -1.036 0.938) 3.311 3.265 ( 3.002 1.036 0.938) 3.311 3.419 ( 0.530 -0.535 -0.238) 0.790 3.419 ( 0.530 0.535 -0.238) 0.790 4.161 ( 0.194 -0.262 -0.118) 0.346 4.161 ( 0.194 0.262 -0.118) 0.346 4.207 ( 0.007 -0.150 0.461) 0.485 4.207 ( 0.007 0.150 0.461) 0.485 6.582 ( 0.129 -0.231 0.157) 0.308 6.582 ( 0.129 0.231 0.157) 0.308 6.635 ( 0.360 -0.192 -0.385) 0.562 6.635 ( 0.360 0.192 -0.385) 0.562 7.028 ( -0.106 -0.235 -0.261) 0.367 7.028 ( -0.106 0.235 -0.261) 0.367 7.095 ( -0.102 -0.374 0.128) 0.409 7.095 ( -0.102 0.374 0.128) 0.409 7.104 ( -0.002 -0.447 -0.244) 0.510 7.104 ( -0.002 0.447 -0.244) 0.510 7.190 ( 0.414 -0.385 0.140) 0.583 7.190 ( 0.414 0.385 0.140) 0.583 7.858 ( 1.035 -0.453 0.167) 1.142 7.858 ( 1.035 0.453 0.167) 1.142 7.903 ( 1.089 -0.419 -0.324) 1.211 7.903 ( 1.089 0.419 -0.324) 1.211 8.101 ( 0.324 -0.261 0.266) 0.494 8.101 ( 0.324 0.261 0.266) 0.494 8.153 ( 0.110 -0.313 -0.297) 0.446 8.153 ( 0.110 0.313 -0.297) 0.446 8.696 ( 0.098 -0.536 0.361) 0.654 8.696 ( 0.098 0.536 0.361) 0.654 8.720 ( 0.290 -0.398 -0.562) 0.747 8.720 ( 0.290 0.398 -0.562) 0.747 9.095 ( -0.691 -0.268 0.207) 0.769 9.095 ( -0.691 0.268 0.207) 0.769 9.123 ( -0.419 -0.084 -0.145) 0.452 9.123 ( -0.419 0.084 -0.145) 0.452 9.624 ( -0.133 -0.062 -0.114) 0.186 9.624 ( -0.133 0.062 -0.114) 0.186 9.693 ( -0.260 -0.055 0.175) 0.318 9.693 ( -0.260 0.055 0.175) 0.318 11.417 ( 0.173 -0.132 0.004) 0.218 11.417 ( 0.173 0.132 0.004) 0.218 11.456 ( 0.090 -0.207 0.014) 0.226 11.456 ( 0.090 0.207 0.014) 0.226 12.277 ( -0.111 -0.380 0.124) 0.415 12.277 ( -0.111 0.380 0.124) 0.415 12.298 ( -0.042 -0.229 -0.303) 0.382 12.298 ( -0.042 0.229 -0.303) 0.382 12.529 ( -0.179 -0.078 -0.007) 0.196 12.529 ( -0.179 0.078 -0.007) 0.196 12.554 ( -0.386 -0.099 0.051) 0.401 12.554 ( -0.386 0.099 0.051) 0.401 12.676 ( -0.364 -0.020 -0.325) 0.489 12.676 ( -0.364 0.020 -0.325) 0.489 12.695 ( 0.230 -0.094 0.450) 0.514 12.695 ( 0.230 0.094 0.450) 0.514 13.132 ( -0.559 -0.127 0.219) 0.614 13.132 ( -0.559 0.127 0.219) 0.614 13.157 ( -0.461 -0.202 -0.204) 0.544 13.157 ( -0.461 0.202 -0.204) 0.544 13.406 ( -1.355 -0.436 -0.360) 1.468 13.406 ( -1.355 0.436 -0.360) 1.468 13.419 ( 0.389 -0.298 0.430) 0.652 13.419 ( 0.389 0.298 0.430) 0.652 13.511 ( 0.656 -0.083 0.010) 0.661 13.511 ( 0.656 0.083 0.010) 0.661 13.520 ( 0.767 -0.057 -0.116) 0.778 13.520 ( 0.767 0.057 -0.116) 0.778 ======================= Grid point 120 (67/69) ======================= q-point: (-0.33 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -8.987 -1.393 -0.037) 9.094 1.096 ( -8.987 1.393 -0.037) 9.094 1.171 ( -10.154 -1.205 1.477) 10.331 1.171 ( -10.154 1.205 1.477) 10.331 1.406 ( -1.054 -1.630 -2.597) 3.242 1.406 ( -1.054 1.630 -2.597) 3.242 1.583 ( 0.772 -4.290 -1.435) 4.590 1.583 ( 0.772 4.290 -1.435) 4.590 1.683 ( -1.106 -5.490 -1.912) 5.918 1.683 ( -1.106 5.490 -1.912) 5.918 1.761 ( 1.615 -3.673 1.556) 4.304 1.761 ( 1.615 3.673 1.556) 4.304 1.912 ( 3.464 -3.991 3.007) 6.080 1.912 ( 3.464 3.991 3.007) 6.080 1.997 ( -0.834 -2.258 1.171) 2.677 1.997 ( -0.834 2.258 1.171) 2.677 2.102 ( -1.677 -1.000 -5.096) 5.458 2.102 ( -1.677 1.000 -5.096) 5.458 2.210 ( 4.704 -2.709 0.431) 5.445 2.210 ( 4.704 2.709 0.431) 5.445 2.288 ( 2.906 -6.011 0.261) 6.682 2.288 ( 2.906 6.011 0.261) 6.682 2.419 ( -2.381 -5.188 -2.806) 6.360 2.419 ( -2.381 5.188 -2.806) 6.360 2.571 ( -5.081 -8.173 -2.310) 9.897 2.571 ( -5.081 8.173 -2.310) 9.897 2.750 ( -0.112 -0.807 0.669) 1.055 2.750 ( -0.112 0.807 0.669) 1.055 2.843 ( -0.581 -3.854 5.580) 6.806 2.843 ( -0.581 3.854 5.580) 6.806 2.893 ( 0.251 -1.532 2.548) 2.984 2.893 ( 0.251 1.532 2.548) 2.984 3.033 ( -1.297 -0.730 0.432) 1.550 3.033 ( -1.297 0.730 0.432) 1.550 3.369 ( 4.374 -3.872 -0.060) 5.842 3.369 ( 4.374 3.872 -0.060) 5.842 3.422 ( 3.190 -1.835 -0.768) 3.760 3.422 ( 3.190 1.835 -0.768) 3.760 4.158 ( 0.202 -0.484 -0.957) 1.091 4.158 ( 0.202 0.484 -0.957) 1.091 4.219 ( 0.545 -0.477 0.638) 0.965 4.219 ( 0.545 0.477 0.638) 0.965 6.592 ( 0.692 -0.631 0.438) 1.034 6.592 ( 0.692 0.631 0.438) 1.034 6.636 ( 0.274 -0.321 -0.580) 0.717 6.636 ( 0.274 0.321 -0.580) 0.717 7.018 ( -0.256 -0.563 -0.289) 0.683 7.018 ( -0.256 0.563 -0.289) 0.683 7.084 ( -0.816 -0.196 -0.265) 0.880 7.084 ( -0.816 0.196 -0.265) 0.880 7.116 ( 0.727 -0.992 0.577) 1.359 7.116 ( 0.727 0.992 0.577) 1.359 7.201 ( 0.679 -0.442 -0.176) 0.829 7.201 ( 0.679 0.442 -0.176) 0.829 7.887 ( 1.776 -0.871 0.119) 1.982 7.887 ( 1.776 0.871 0.119) 1.982 7.929 ( 1.915 -0.455 -0.280) 1.988 7.929 ( 1.915 0.455 -0.280) 1.988 8.127 ( 1.949 -0.235 0.929) 2.172 8.127 ( 1.949 0.235 0.929) 2.172 8.157 ( 0.717 -0.378 -0.097) 0.816 8.157 ( 0.717 0.378 -0.097) 0.816 8.701 ( 0.397 -0.329 -0.221) 0.560 8.701 ( 0.397 0.329 -0.221) 0.560 8.724 ( 0.455 -0.261 0.174) 0.553 8.724 ( 0.455 0.261 0.174) 0.553 9.080 ( -1.432 -0.489 0.490) 1.591 9.080 ( -1.432 0.489 0.490) 1.591 9.104 ( -1.322 -0.298 -0.485) 1.440 9.104 ( -1.322 0.298 -0.485) 1.440 9.620 ( -0.339 -0.087 0.159) 0.385 9.620 ( -0.339 0.087 0.159) 0.385 9.689 ( -0.495 -0.404 0.110) 0.648 9.689 ( -0.495 0.404 0.110) 0.648 11.423 ( 0.462 -0.185 0.023) 0.498 11.423 ( 0.462 0.185 0.023) 0.498 11.459 ( 0.256 -0.088 0.054) 0.276 11.459 ( 0.256 0.088 0.054) 0.276 12.275 ( -0.194 -0.050 0.027) 0.202 12.275 ( -0.194 0.050 0.027) 0.202 12.296 ( -0.163 -0.103 0.215) 0.289 12.296 ( -0.163 0.103 0.215) 0.289 12.519 ( -0.696 -0.178 -0.278) 0.770 12.519 ( -0.696 0.178 -0.278) 0.770 12.543 ( -0.858 -0.224 0.052) 0.889 12.543 ( -0.858 0.224 0.052) 0.889 12.658 ( -0.688 -0.077 -0.493) 0.849 12.658 ( -0.688 0.077 -0.493) 0.849 12.714 ( 0.576 -0.229 0.807) 1.018 12.714 ( 0.576 0.229 0.807) 1.018 13.109 ( -1.506 -0.758 -0.520) 1.765 13.109 ( -1.506 0.758 -0.520) 1.765 13.148 ( -1.042 -0.373 0.488) 1.210 13.148 ( -1.042 0.373 0.488) 1.210 13.375 ( -1.309 -0.300 -0.498) 1.432 13.375 ( -1.309 0.300 -0.498) 1.432 13.423 ( -0.581 -0.559 0.339) 0.875 13.423 ( -0.581 0.559 0.339) 0.875 13.524 ( 0.994 -0.285 -0.288) 1.074 13.524 ( 0.994 0.285 -0.288) 1.074 13.548 ( 1.987 -0.303 0.296) 2.031 13.548 ( 1.987 0.303 0.296) 2.031 ======================= Grid point 122 (68/69) ======================= q-point: (-0.22 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -9.208 -5.021 0.087) 10.488 0.943 ( -9.208 5.021 0.087) 10.488 1.023 ( -7.701 -6.658 5.466) 11.554 1.023 ( -7.701 6.658 5.466) 11.554 1.326 ( -6.924 -3.306 -1.472) 7.813 1.326 ( -6.924 3.306 -1.472) 7.813 1.525 ( 1.242 -2.399 -5.658) 6.269 1.525 ( 1.242 2.399 -5.658) 6.269 1.690 ( 0.106 -0.996 -1.538) 1.836 1.690 ( 0.106 0.996 -1.538) 1.836 1.789 ( -1.292 -2.449 0.318) 2.787 1.789 ( -1.292 2.449 0.318) 2.787 1.879 ( -3.233 -5.090 -2.689) 6.603 1.879 ( -3.233 5.090 -2.689) 6.603 1.962 ( -3.040 -3.137 -4.333) 6.153 1.962 ( -3.040 3.137 -4.333) 6.153 2.086 ( 0.162 -5.142 3.099) 6.006 2.086 ( 0.162 5.142 3.099) 6.006 2.298 ( 2.140 -3.264 -0.011) 3.903 2.298 ( 2.140 3.264 -0.011) 3.903 2.344 ( 5.289 -4.554 3.550) 7.830 2.344 ( 5.289 4.554 3.550) 7.830 2.396 ( 2.849 -1.708 -0.366) 3.342 2.396 ( 2.849 1.708 -0.366) 3.342 2.508 ( -0.246 -1.787 -2.165) 2.818 2.508 ( -0.246 1.787 -2.165) 2.818 2.743 ( -2.768 -3.790 3.407) 5.799 2.743 ( -2.768 3.790 3.407) 5.799 2.892 ( -1.728 -4.319 2.304) 5.191 2.892 ( -1.728 4.319 2.304) 5.191 2.935 ( -0.537 -2.220 4.024) 4.627 2.935 ( -0.537 2.220 4.024) 4.627 3.026 ( 0.765 -3.319 2.248) 4.081 3.026 ( 0.765 3.319 2.248) 4.081 3.357 ( -0.090 -2.079 -2.566) 3.304 3.357 ( -0.090 2.079 -2.566) 3.304 3.546 ( 8.342 -1.892 -1.168) 8.633 3.546 ( 8.342 1.892 -1.168) 8.633 4.151 ( 0.478 -0.422 -1.246) 1.400 4.151 ( 0.478 0.422 -1.246) 1.400 4.237 ( 0.752 -0.457 0.617) 1.075 4.237 ( 0.752 0.457 0.617) 1.075 6.609 ( 0.596 -0.568 0.050) 0.825 6.609 ( 0.596 0.568 0.050) 0.825 6.636 ( 0.425 -0.253 -0.008) 0.494 6.636 ( 0.425 0.253 -0.008) 0.494 7.019 ( 0.201 -0.423 0.369) 0.596 7.019 ( 0.201 0.423 0.369) 0.596 7.074 ( -0.306 -0.728 0.420) 0.894 7.074 ( -0.306 0.728 0.420) 0.894 7.130 ( 0.598 -1.322 0.005) 1.451 7.130 ( 0.598 1.322 0.005) 1.451 7.204 ( 0.121 -0.298 -0.625) 0.703 7.204 ( 0.121 0.298 -0.625) 0.703 7.910 ( 0.454 -0.993 0.527) 1.212 7.910 ( 0.454 0.993 0.527) 1.212 7.957 ( 1.592 -0.457 -0.317) 1.687 7.957 ( 1.592 0.457 -0.317) 1.687 8.171 ( 1.293 -0.547 0.731) 1.583 8.171 ( 1.293 0.547 0.731) 1.583 8.186 ( 3.244 -0.871 -0.041) 3.359 8.186 ( 3.244 0.871 -0.041) 3.359 8.705 ( 0.496 -0.574 -0.519) 0.919 8.705 ( 0.496 0.574 -0.519) 0.919 8.738 ( 0.526 -0.210 0.666) 0.874 8.738 ( 0.526 0.210 0.666) 0.874 9.058 ( -1.754 -0.386 0.662) 1.914 9.058 ( -1.754 0.386 0.662) 1.914 9.072 ( -1.370 -0.660 -0.697) 1.673 9.072 ( -1.370 0.660 -0.697) 1.673 9.617 ( -0.392 -0.171 0.361) 0.560 9.617 ( -0.392 0.171 0.361) 0.560 9.678 ( -0.672 -0.636 -0.215) 0.950 9.678 ( -0.672 0.636 -0.215) 0.950 11.432 ( 0.534 -0.153 -0.010) 0.555 11.432 ( 0.534 0.153 -0.010) 0.555 11.465 ( 0.289 -0.100 0.082) 0.317 11.465 ( 0.289 0.100 0.082) 0.317 12.272 ( -0.177 -0.117 0.004) 0.212 12.272 ( -0.177 0.117 0.004) 0.212 12.296 ( -0.270 -0.444 0.317) 0.608 12.296 ( -0.270 0.444 0.317) 0.608 12.501 ( -0.892 -0.281 -0.216) 0.960 12.501 ( -0.892 0.281 -0.216) 0.960 12.529 ( -0.795 -0.203 0.180) 0.840 12.529 ( -0.795 0.203 0.180) 0.840 12.646 ( -0.302 -0.122 0.045) 0.328 12.646 ( -0.302 0.122 0.045) 0.328 12.726 ( 0.070 -0.245 0.082) 0.267 12.726 ( 0.070 0.245 0.082) 0.267 13.079 ( -1.244 -0.828 -0.200) 1.508 13.079 ( -1.244 0.828 -0.200) 1.508 13.129 ( -1.521 -0.445 0.180) 1.595 13.129 ( -1.521 0.445 0.180) 1.595 13.354 ( -0.739 -0.358 0.058) 0.823 13.354 ( -0.739 0.358 0.058) 0.823 13.413 ( -0.650 -0.774 -0.069) 1.013 13.413 ( -0.650 0.774 -0.069) 1.013 13.538 ( 0.963 -0.608 -0.104) 1.144 13.538 ( 0.963 0.608 -0.104) 1.144 13.584 ( 1.774 -0.527 -0.010) 1.850 13.584 ( 1.774 0.527 -0.010) 1.850 ======================= Grid point 124 (69/69) ======================= q-point: (-0.11 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -7.618 -8.697 8.580) 14.398 0.819 ( -7.618 8.697 8.580) 14.398 1.052 ( -2.029 -13.011 5.131) 14.133 1.052 ( -2.029 13.011 5.131) 14.133 1.192 ( -1.074 -2.161 -0.899) 2.575 1.192 ( -1.074 2.161 -0.899) 2.575 1.486 ( 0.594 -1.273 -7.446) 7.578 1.486 ( 0.594 1.273 -7.446) 7.578 1.624 ( -5.543 -3.986 -3.002) 7.458 1.624 ( -5.543 3.986 -3.002) 7.458 1.710 ( -2.133 -2.941 -3.699) 5.184 1.710 ( -2.133 2.941 -3.699) 5.184 1.801 ( -4.253 -3.630 0.451) 5.610 1.801 ( -4.253 3.630 0.451) 5.610 1.920 ( 2.498 -2.527 -0.914) 3.669 1.920 ( 2.498 2.527 -0.914) 3.669 2.120 ( 0.112 -3.958 3.508) 5.290 2.120 ( 0.112 3.958 3.508) 5.290 2.337 ( 2.280 -3.253 -0.094) 3.974 2.337 ( 2.280 3.253 -0.094) 3.974 2.433 ( -0.445 -1.339 -0.194) 1.424 2.433 ( -0.445 1.339 -0.194) 1.424 2.497 ( 4.831 -3.641 1.236) 6.174 2.497 ( 4.831 3.641 1.236) 6.174 2.505 ( 3.531 -2.396 1.145) 4.419 2.505 ( 3.531 2.396 1.145) 4.419 2.686 ( -6.282 -1.902 0.645) 6.596 2.686 ( -6.282 1.902 0.645) 6.596 2.831 ( -3.193 -7.379 -1.913) 8.264 2.831 ( -3.193 7.379 -1.913) 8.264 3.008 ( 1.114 -4.585 6.548) 8.071 3.008 ( 1.114 4.585 6.548) 8.071 3.080 ( 1.346 -5.072 2.612) 5.862 3.080 ( 1.346 5.072 2.612) 5.862 3.353 ( 1.446 -0.606 0.188) 1.579 3.353 ( 1.446 0.606 0.188) 1.579 3.632 ( 4.481 -1.679 -4.472) 6.549 3.632 ( 4.481 1.679 -4.472) 6.549 4.147 ( 0.534 -0.059 -1.104) 1.228 4.147 ( 0.534 0.059 -1.104) 1.228 4.256 ( 0.553 -0.349 0.565) 0.864 4.256 ( 0.553 0.349 0.565) 0.864 6.609 ( -0.016 -0.274 -0.528) 0.595 6.609 ( -0.016 0.274 -0.528) 0.595 6.653 ( 0.740 -0.370 0.722) 1.098 6.653 ( 0.740 0.370 0.722) 1.098 7.025 ( -0.020 -0.750 0.350) 0.828 7.025 ( -0.020 0.750 0.350) 0.828 7.073 ( -0.556 -1.336 -0.183) 1.458 7.073 ( -0.556 1.336 -0.183) 1.458 7.148 ( 1.218 -0.285 0.456) 1.332 7.148 ( 1.218 0.285 0.456) 1.332 7.197 ( 0.041 -0.167 -0.411) 0.445 7.197 ( 0.041 0.167 -0.411) 0.445 7.919 ( -0.112 -0.406 0.845) 0.944 7.919 ( -0.112 0.406 0.845) 0.944 7.968 ( 0.188 -0.742 -0.655) 1.008 7.968 ( 0.188 0.742 -0.655) 1.008 8.202 ( 1.542 -0.623 0.295) 1.689 8.202 ( 1.542 0.623 0.295) 1.689 8.236 ( 2.131 -0.598 0.060) 2.214 8.236 ( 2.131 0.598 0.060) 2.214 8.707 ( 0.331 -0.371 -0.409) 0.644 8.707 ( 0.331 0.371 -0.409) 0.644 8.754 ( 0.383 -0.211 0.623) 0.762 8.754 ( 0.383 0.211 0.623) 0.762 9.035 ( -1.495 -0.837 0.438) 1.768 9.035 ( -1.495 0.837 0.438) 1.768 9.048 ( -0.621 -1.135 -0.511) 1.391 9.048 ( -0.621 1.135 -0.511) 1.391 9.616 ( -0.206 -0.168 0.517) 0.581 9.616 ( -0.206 0.168 0.517) 0.581 9.661 ( -0.673 -0.518 -0.618) 1.051 9.661 ( -0.673 0.518 -0.618) 1.051 11.439 ( 0.310 -0.082 -0.063) 0.326 11.439 ( 0.310 0.082 -0.063) 0.326 11.470 ( 0.177 -0.121 0.059) 0.222 11.470 ( 0.177 0.121 0.059) 0.222 12.270 ( -0.105 -0.047 0.007) 0.115 12.270 ( -0.105 0.047 0.007) 0.115 12.292 ( -0.394 -0.500 0.014) 0.636 12.292 ( -0.394 0.500 0.014) 0.636 12.490 ( -0.314 -0.243 0.211) 0.450 12.490 ( -0.314 0.243 0.211) 0.450 12.518 ( -0.698 -0.149 0.057) 0.716 12.518 ( -0.698 0.149 0.057) 0.716 12.649 ( 0.167 -0.284 0.701) 0.775 12.649 ( 0.167 0.284 0.701) 0.775 12.718 ( -0.451 -0.251 -0.795) 0.947 12.718 ( -0.451 0.251 -0.795) 0.947 13.065 ( -0.409 -0.582 0.215) 0.744 13.065 ( -0.409 0.582 0.215) 0.744 13.103 ( -1.353 -0.467 -0.268) 1.456 13.103 ( -1.353 0.467 -0.268) 1.456 13.351 ( -0.140 -0.393 0.595) 0.727 13.351 ( -0.140 0.393 0.595) 0.727 13.401 ( -0.480 -0.635 -0.426) 0.903 13.401 ( -0.480 0.635 -0.426) 0.903 13.556 ( 0.905 -0.537 0.376) 1.118 13.556 ( 0.905 0.537 0.376) 1.118 13.603 ( 0.722 -0.562 -0.572) 1.079 13.603 ( 0.722 0.562 -0.572) 1.079 =================== 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 3/18360 10.0 23.306 15.766 17.020 0.000 2.428 0.000 3/18360 20.0 5.116 3.549 3.713 0.000 0.326 0.000 3/18360 30.0 2.665 1.826 1.946 0.000 0.166 0.000 3/18360 40.0 1.833 1.247 1.343 0.000 0.118 0.000 3/18360 50.0 1.416 0.960 1.038 0.000 0.094 0.000 3/18360 60.0 1.162 0.786 0.851 0.000 0.078 0.000 3/18360 70.0 0.990 0.667 0.723 0.000 0.067 0.000 3/18360 80.0 0.865 0.581 0.629 0.000 0.059 0.000 3/18360 90.0 0.770 0.515 0.558 0.000 0.052 0.000 3/18360 100.0 0.694 0.462 0.501 0.000 0.047 0.000 3/18360 110.0 0.634 0.420 0.456 0.000 0.043 0.000 3/18360 120.0 0.583 0.385 0.418 0.000 0.040 0.000 3/18360 130.0 0.541 0.355 0.386 0.000 0.037 0.000 3/18360 140.0 0.504 0.330 0.358 0.000 0.034 0.000 3/18360 150.0 0.473 0.308 0.335 0.000 0.032 0.000 3/18360 160.0 0.445 0.289 0.314 0.000 0.030 0.000 3/18360 170.0 0.420 0.272 0.296 0.000 0.029 0.000 3/18360 180.0 0.398 0.257 0.280 0.000 0.027 0.000 3/18360 190.0 0.379 0.243 0.265 0.000 0.026 0.000 3/18360 200.0 0.361 0.231 0.252 0.000 0.025 0.000 3/18360 210.0 0.345 0.220 0.241 0.000 0.024 0.000 3/18360 220.0 0.330 0.210 0.230 0.000 0.023 0.000 3/18360 230.0 0.316 0.201 0.220 0.000 0.022 0.000 3/18360 240.0 0.304 0.193 0.211 0.000 0.021 0.000 3/18360 250.0 0.292 0.185 0.203 0.000 0.020 0.000 3/18360 260.0 0.282 0.178 0.195 0.000 0.020 0.000 3/18360 270.0 0.272 0.172 0.188 0.000 0.019 0.000 3/18360 280.0 0.262 0.166 0.181 0.000 0.018 0.000 3/18360 290.0 0.254 0.160 0.175 0.000 0.018 0.000 3/18360 300.0 0.246 0.155 0.169 0.000 0.017 0.000 3/18360 310.0 0.238 0.150 0.164 0.000 0.017 0.000 3/18360 320.0 0.231 0.145 0.159 0.000 0.016 0.000 3/18360 330.0 0.224 0.141 0.154 0.000 0.016 0.000 3/18360 340.0 0.218 0.137 0.150 0.000 0.015 0.000 3/18360 350.0 0.212 0.133 0.145 0.000 0.015 0.000 3/18360 360.0 0.206 0.129 0.142 0.000 0.014 0.000 3/18360 370.0 0.201 0.126 0.138 0.000 0.014 0.000 3/18360 380.0 0.196 0.122 0.134 0.000 0.014 0.000 3/18360 390.0 0.191 0.119 0.131 0.000 0.013 0.000 3/18360 400.0 0.186 0.116 0.128 0.000 0.013 0.000 3/18360 410.0 0.182 0.113 0.124 0.000 0.013 0.000 3/18360 420.0 0.177 0.111 0.121 0.000 0.012 0.000 3/18360 430.0 0.173 0.108 0.119 0.000 0.012 0.000 3/18360 440.0 0.170 0.106 0.116 0.000 0.012 0.000 3/18360 450.0 0.166 0.103 0.113 0.000 0.012 0.000 3/18360 460.0 0.162 0.101 0.111 0.000 0.011 0.000 3/18360 470.0 0.159 0.099 0.109 0.000 0.011 0.000 3/18360 480.0 0.156 0.097 0.106 0.000 0.011 0.000 3/18360 490.0 0.153 0.095 0.104 0.000 0.011 0.000 3/18360 500.0 0.150 0.093 0.102 0.000 0.011 0.000 3/18360 510.0 0.147 0.091 0.100 0.000 0.010 0.000 3/18360 520.0 0.144 0.089 0.098 0.000 0.010 0.000 3/18360 530.0 0.141 0.088 0.096 0.000 0.010 0.000 3/18360 540.0 0.139 0.086 0.095 0.000 0.010 0.000 3/18360 550.0 0.136 0.085 0.093 0.000 0.010 0.000 3/18360 560.0 0.134 0.083 0.091 0.000 0.009 0.000 3/18360 570.0 0.132 0.082 0.090 0.000 0.009 0.000 3/18360 580.0 0.129 0.080 0.088 0.000 0.009 0.000 3/18360 590.0 0.127 0.079 0.087 0.000 0.009 0.000 3/18360 600.0 0.125 0.078 0.085 0.000 0.009 0.000 3/18360 610.0 0.123 0.076 0.084 0.000 0.009 0.000 3/18360 620.0 0.121 0.075 0.083 0.000 0.009 0.000 3/18360 630.0 0.119 0.074 0.081 0.000 0.008 0.000 3/18360 640.0 0.117 0.073 0.080 0.000 0.008 0.000 3/18360 650.0 0.116 0.072 0.079 0.000 0.008 0.000 3/18360 660.0 0.114 0.071 0.078 0.000 0.008 0.000 3/18360 670.0 0.112 0.069 0.076 0.000 0.008 0.000 3/18360 680.0 0.111 0.068 0.075 0.000 0.008 0.000 3/18360 690.0 0.109 0.067 0.074 0.000 0.008 0.000 3/18360 700.0 0.107 0.067 0.073 0.000 0.008 0.000 3/18360 710.0 0.106 0.066 0.072 0.000 0.007 0.000 3/18360 720.0 0.104 0.065 0.071 0.000 0.007 0.000 3/18360 730.0 0.103 0.064 0.070 0.000 0.007 0.000 3/18360 740.0 0.102 0.063 0.069 0.000 0.007 0.000 3/18360 750.0 0.100 0.062 0.068 0.000 0.007 0.000 3/18360 760.0 0.099 0.061 0.067 0.000 0.007 0.000 3/18360 770.0 0.098 0.060 0.067 0.000 0.007 0.000 3/18360 780.0 0.096 0.060 0.066 0.000 0.007 0.000 3/18360 790.0 0.095 0.059 0.065 0.000 0.007 0.000 3/18360 800.0 0.094 0.058 0.064 0.000 0.007 0.000 3/18360 810.0 0.093 0.057 0.063 0.000 0.007 0.000 3/18360 820.0 0.092 0.057 0.062 0.000 0.006 0.000 3/18360 830.0 0.091 0.056 0.062 0.000 0.006 0.000 3/18360 840.0 0.090 0.055 0.061 0.000 0.006 0.000 3/18360 850.0 0.089 0.055 0.060 0.000 0.006 0.000 3/18360 860.0 0.088 0.054 0.060 0.000 0.006 0.000 3/18360 870.0 0.087 0.054 0.059 0.000 0.006 0.000 3/18360 880.0 0.086 0.053 0.058 0.000 0.006 0.000 3/18360 890.0 0.085 0.052 0.058 0.000 0.006 0.000 3/18360 900.0 0.084 0.052 0.057 0.000 0.006 0.000 3/18360 910.0 0.083 0.051 0.056 0.000 0.006 0.000 3/18360 920.0 0.082 0.051 0.056 0.000 0.006 0.000 3/18360 930.0 0.081 0.050 0.055 0.000 0.006 0.000 3/18360 940.0 0.080 0.050 0.055 0.000 0.006 0.000 3/18360 950.0 0.079 0.049 0.054 0.000 0.006 0.000 3/18360 960.0 0.078 0.049 0.053 0.000 0.006 0.000 3/18360 970.0 0.078 0.048 0.053 0.000 0.005 0.000 3/18360 980.0 0.077 0.048 0.052 0.000 0.005 0.000 3/18360 990.0 0.076 0.047 0.052 0.000 0.005 0.000 3/18360 1000.0 0.075 0.047 0.051 0.000 0.005 0.000 3/18360 Thermal conductivity related properties were written into "kappa-m945.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:55:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|