----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673556819999999 Atomic positions (fractional): *1 Ba 0.15222637485088 0.75000000000000 0.75023119958323 137.327 2 Ba 0.84777362514912 0.25000000000000 0.24976880041677 137.327 3 Ba 0.65222637485088 0.75000000000000 0.74976880041677 137.327 4 Ba 0.34777362514912 0.25000000000000 0.25023119958323 137.327 *5 Be 0.66310190199834 0.50084814550014 0.19960352214874 9.012 6 Be 0.83689809800166 0.00084814550014 0.69960352214874 9.012 7 Be 0.33689809800166 0.00084814550014 0.80039647785126 9.012 8 Be 0.83689809800166 0.49915185449986 0.69960352214874 9.012 9 Be 0.16310190199834 0.99915185449986 0.30039647785126 9.012 10 Be 0.66310190199834 0.99915185449986 0.19960352214874 9.012 11 Be 0.33689809800166 0.49915185449986 0.80039647785126 9.012 12 Be 0.16310190199834 0.50084814550014 0.30039647785126 9.012 *13 Si 0.58778869465452 0.12172835444491 0.69710509304197 28.085 14 Si 0.41221130534548 0.87827164555509 0.30289490695803 28.085 15 Si 0.91221130534548 0.62172835444491 0.19710509304197 28.085 16 Si 0.08778869465453 0.37827164555509 0.80289490695803 28.085 17 Si 0.41221130534548 0.62172835444491 0.30289490695803 28.085 18 Si 0.91221130534548 0.87827164555509 0.19710509304197 28.085 19 Si 0.08778869465453 0.12172835444491 0.80289490695803 28.085 20 Si 0.58778869465452 0.37827164555509 0.69710509304197 28.085 *21 O 0.18700054035413 0.47244236055582 0.64544744049664 15.999 *22 O 0.07185535233363 0.61549573193608 0.28098293024325 15.999 23 O 0.81299945964587 0.97244236055582 0.35455255950336 15.999 24 O 0.68700054035413 0.47244236055582 0.85455255950336 15.999 25 O 0.18700054035413 0.02755763944418 0.64544744049664 15.999 26 O 0.57185535233363 0.61549573193608 0.21901706975675 15.999 *27 O 0.10770746303819 0.11332191797271 0.14748908205579 15.999 28 O 0.92814464766637 0.38450426806392 0.71901706975675 15.999 *29 O 0.14673018110734 0.25000000000000 0.70589185893885 15.999 30 O 0.07185535233363 0.88450426806392 0.28098293024325 15.999 31 O 0.42814464766637 0.11549573193608 0.78098293024325 15.999 32 O 0.60770746303819 0.38667808202729 0.35251091794421 15.999 33 O 0.85326981889266 0.75000000000000 0.29410814106115 15.999 34 O 0.31299945964587 0.97244236055582 0.14544744049664 15.999 35 O 0.39229253696181 0.61332191797271 0.64748908205580 15.999 36 O 0.42814464766637 0.38450426806392 0.78098293024325 15.999 37 O 0.10770746303819 0.38667808202729 0.14748908205579 15.999 38 O 0.57185535233363 0.88450426806392 0.21901706975675 15.999 39 O 0.64673018110734 0.25000000000000 0.79410814106115 15.999 40 O 0.92814464766637 0.11549573193608 0.71901706975675 15.999 41 O 0.60770746303819 0.11332191797271 0.35251091794421 15.999 42 O 0.68700054035413 0.02755763944418 0.85455255950336 15.999 43 O 0.35326981889266 0.75000000000000 0.20589185893885 15.999 44 O 0.89229253696181 0.61332191797271 0.85251091794420 15.999 45 O 0.39229253696181 0.88667808202729 0.64748908205580 15.999 46 O 0.81299945964587 0.52755763944418 0.35455255950336 15.999 47 O 0.89229253696181 0.88667808202729 0.85251091794420 15.999 48 O 0.31299945964587 0.52755763944418 0.14544744049664 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673556819999999 Atomic positions (fractional): *1 Ba 0.15222637485088 0.75000000000000 0.75023119958323 137.327 > 1 2 Ba 0.84777362514912 0.25000000000000 0.24976880041677 137.327 > 2 3 Ba 0.65222637485088 0.75000000000000 0.74976880041677 137.327 > 3 4 Ba 0.34777362514912 0.25000000000000 0.25023119958323 137.327 > 4 *5 Be 0.66310190199834 0.50084814550014 0.19960352214874 9.012 > 5 6 Be 0.83689809800166 0.00084814550014 0.69960352214874 9.012 > 6 7 Be 0.33689809800166 0.00084814550014 0.80039647785126 9.012 > 7 8 Be 0.83689809800166 0.49915185449986 0.69960352214874 9.012 > 8 9 Be 0.16310190199834 0.99915185449986 0.30039647785126 9.012 > 9 10 Be 0.66310190199834 0.99915185449986 0.19960352214874 9.012 > 10 11 Be 0.33689809800166 0.49915185449986 0.80039647785126 9.012 > 11 12 Be 0.16310190199834 0.50084814550014 0.30039647785126 9.012 > 12 *13 Si 0.58778869465452 0.12172835444491 0.69710509304197 28.085 > 13 14 Si 0.41221130534548 0.87827164555509 0.30289490695803 28.085 > 14 15 Si 0.91221130534548 0.62172835444491 0.19710509304197 28.085 > 15 16 Si 0.08778869465453 0.37827164555509 0.80289490695803 28.085 > 16 17 Si 0.41221130534548 0.62172835444491 0.30289490695803 28.085 > 17 18 Si 0.91221130534548 0.87827164555509 0.19710509304197 28.085 > 18 19 Si 0.08778869465453 0.12172835444491 0.80289490695803 28.085 > 19 20 Si 0.58778869465452 0.37827164555509 0.69710509304197 28.085 > 20 *21 O 0.18700054035413 0.47244236055582 0.64544744049664 15.999 > 21 *22 O 0.07185535233363 0.61549573193608 0.28098293024325 15.999 > 22 23 O 0.81299945964587 0.97244236055582 0.35455255950336 15.999 > 23 24 O 0.68700054035413 0.47244236055582 0.85455255950336 15.999 > 24 25 O 0.18700054035413 0.02755763944418 0.64544744049664 15.999 > 25 26 O 0.57185535233363 0.61549573193608 0.21901706975675 15.999 > 26 *27 O 0.10770746303819 0.11332191797271 0.14748908205580 15.999 > 27 28 O 0.92814464766637 0.38450426806392 0.71901706975675 15.999 > 28 *29 O 0.14673018110734 0.25000000000000 0.70589185893885 15.999 > 29 30 O 0.07185535233363 0.88450426806392 0.28098293024325 15.999 > 30 31 O 0.42814464766637 0.11549573193608 0.78098293024325 15.999 > 31 32 O 0.60770746303819 0.38667808202729 0.35251091794421 15.999 > 32 33 O 0.85326981889266 0.75000000000000 0.29410814106115 15.999 > 33 34 O 0.31299945964587 0.97244236055582 0.14544744049664 15.999 > 34 35 O 0.39229253696181 0.61332191797271 0.64748908205580 15.999 > 35 36 O 0.42814464766637 0.38450426806392 0.78098293024325 15.999 > 36 37 O 0.10770746303819 0.38667808202729 0.14748908205580 15.999 > 37 38 O 0.57185535233363 0.88450426806392 0.21901706975675 15.999 > 38 39 O 0.64673018110734 0.25000000000000 0.79410814106115 15.999 > 39 40 O 0.92814464766637 0.11549573193608 0.71901706975675 15.999 > 40 41 O 0.60770746303819 0.11332191797271 0.35251091794421 15.999 > 41 42 O 0.68700054035413 0.02755763944418 0.85455255950336 15.999 > 42 43 O 0.35326981889266 0.75000000000000 0.20589185893885 15.999 > 43 44 O 0.89229253696181 0.61332191797271 0.85251091794420 15.999 > 44 45 O 0.39229253696181 0.88667808202729 0.64748908205580 15.999 > 45 46 O 0.81299945964587 0.52755763944418 0.35455255950336 15.999 > 46 47 O 0.89229253696181 0.88667808202729 0.85251091794420 15.999 > 47 48 O 0.31299945964587 0.52755763944418 0.14544744049664 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.020670459999998 Atomic positions (fractional): *1 Ba 0.15222637485088 0.75000000000000 0.25007706652774 137.327 > 1 2 Ba 0.15222637485088 0.75000000000000 0.58341039986108 137.327 > 1 3 Ba 0.15222637485088 0.75000000000000 0.91674373319441 137.327 > 1 4 Ba 0.84777362514912 0.25000000000000 0.08325626680559 137.327 > 2 5 Ba 0.84777362514912 0.25000000000000 0.41658960013892 137.327 > 2 6 Ba 0.84777362514912 0.25000000000000 0.74992293347226 137.327 > 2 7 Ba 0.65222637485088 0.75000000000000 0.24992293347226 137.327 > 3 8 Ba 0.65222637485088 0.75000000000000 0.58325626680559 137.327 > 3 9 Ba 0.65222637485088 0.75000000000000 0.91658960013892 137.327 > 3 10 Ba 0.34777362514912 0.25000000000000 0.08341039986108 137.327 > 4 11 Ba 0.34777362514912 0.25000000000000 0.41674373319441 137.327 > 4 12 Ba 0.34777362514912 0.25000000000000 0.75007706652774 137.327 > 4 *13 Be 0.66310190199834 0.50084814550014 0.06653450738291 9.012 > 5 14 Be 0.66310190199834 0.50084814550014 0.39986784071625 9.012 > 5 15 Be 0.66310190199834 0.50084814550014 0.73320117404958 9.012 > 5 16 Be 0.83689809800166 0.00084814550014 0.23320117404958 9.012 > 6 17 Be 0.83689809800166 0.00084814550014 0.56653450738291 9.012 > 6 18 Be 0.83689809800166 0.00084814550014 0.89986784071625 9.012 > 6 19 Be 0.33689809800166 0.00084814550014 0.26679882595042 9.012 > 7 20 Be 0.33689809800166 0.00084814550014 0.60013215928375 9.012 > 7 21 Be 0.33689809800166 0.00084814550014 0.93346549261709 9.012 > 7 22 Be 0.83689809800166 0.49915185449986 0.23320117404958 9.012 > 8 23 Be 0.83689809800166 0.49915185449986 0.56653450738291 9.012 > 8 24 Be 0.83689809800166 0.49915185449986 0.89986784071625 9.012 > 8 25 Be 0.16310190199834 0.99915185449986 0.10013215928375 9.012 > 9 26 Be 0.16310190199834 0.99915185449986 0.43346549261709 9.012 > 9 27 Be 0.16310190199834 0.99915185449986 0.76679882595042 9.012 > 9 28 Be 0.66310190199834 0.99915185449986 0.06653450738291 9.012 > 10 29 Be 0.66310190199834 0.99915185449986 0.39986784071625 9.012 > 10 30 Be 0.66310190199834 0.99915185449986 0.73320117404958 9.012 > 10 31 Be 0.33689809800166 0.49915185449986 0.26679882595042 9.012 > 11 32 Be 0.33689809800166 0.49915185449986 0.60013215928375 9.012 > 11 33 Be 0.33689809800166 0.49915185449986 0.93346549261709 9.012 > 11 34 Be 0.16310190199834 0.50084814550014 0.10013215928375 9.012 > 12 35 Be 0.16310190199834 0.50084814550014 0.43346549261709 9.012 > 12 36 Be 0.16310190199834 0.50084814550014 0.76679882595042 9.012 > 12 *37 Si 0.58778869465452 0.12172835444491 0.23236836434732 28.085 > 13 38 Si 0.58778869465452 0.12172835444491 0.56570169768066 28.085 > 13 39 Si 0.58778869465452 0.12172835444491 0.89903503101399 28.085 > 13 40 Si 0.41221130534548 0.87827164555509 0.10096496898601 28.085 > 14 41 Si 0.41221130534548 0.87827164555509 0.43429830231934 28.085 > 14 42 Si 0.41221130534548 0.87827164555509 0.76763163565268 28.085 > 14 43 Si 0.91221130534548 0.62172835444491 0.06570169768066 28.085 > 15 44 Si 0.91221130534548 0.62172835444491 0.39903503101399 28.085 > 15 45 Si 0.91221130534548 0.62172835444491 0.73236836434732 28.085 > 15 46 Si 0.08778869465453 0.37827164555509 0.26763163565268 28.085 > 16 47 Si 0.08778869465453 0.37827164555509 0.60096496898601 28.085 > 16 48 Si 0.08778869465453 0.37827164555509 0.93429830231934 28.085 > 16 49 Si 0.41221130534548 0.62172835444491 0.10096496898601 28.085 > 17 50 Si 0.41221130534548 0.62172835444491 0.43429830231934 28.085 > 17 51 Si 0.41221130534548 0.62172835444491 0.76763163565268 28.085 > 17 52 Si 0.91221130534548 0.87827164555509 0.06570169768066 28.085 > 18 53 Si 0.91221130534548 0.87827164555509 0.39903503101399 28.085 > 18 54 Si 0.91221130534548 0.87827164555509 0.73236836434732 28.085 > 18 55 Si 0.08778869465453 0.12172835444491 0.26763163565268 28.085 > 19 56 Si 0.08778869465453 0.12172835444491 0.60096496898601 28.085 > 19 57 Si 0.08778869465453 0.12172835444491 0.93429830231934 28.085 > 19 58 Si 0.58778869465452 0.37827164555509 0.23236836434732 28.085 > 20 59 Si 0.58778869465452 0.37827164555509 0.56570169768066 28.085 > 20 60 Si 0.58778869465452 0.37827164555509 0.89903503101399 28.085 > 20 *61 O 0.18700054035413 0.47244236055582 0.21514914683221 15.999 > 21 62 O 0.18700054035413 0.47244236055582 0.54848248016555 15.999 > 21 63 O 0.18700054035413 0.47244236055582 0.88181581349888 15.999 > 21 *64 O 0.07185535233363 0.61549573193608 0.09366097674775 15.999 > 22 65 O 0.07185535233363 0.61549573193608 0.42699431008108 15.999 > 22 66 O 0.07185535233363 0.61549573193608 0.76032764341442 15.999 > 22 67 O 0.81299945964587 0.97244236055582 0.11818418650112 15.999 > 23 68 O 0.81299945964587 0.97244236055582 0.45151751983445 15.999 > 23 69 O 0.81299945964587 0.97244236055582 0.78485085316779 15.999 > 23 70 O 0.68700054035413 0.47244236055582 0.28485085316779 15.999 > 24 71 O 0.68700054035413 0.47244236055582 0.61818418650112 15.999 > 24 72 O 0.68700054035413 0.47244236055582 0.95151751983445 15.999 > 24 73 O 0.18700054035413 0.02755763944418 0.21514914683221 15.999 > 25 74 O 0.18700054035413 0.02755763944418 0.54848248016555 15.999 > 25 75 O 0.18700054035413 0.02755763944418 0.88181581349888 15.999 > 25 76 O 0.57185535233363 0.61549573193608 0.07300568991892 15.999 > 26 77 O 0.57185535233363 0.61549573193608 0.40633902325225 15.999 > 26 78 O 0.57185535233363 0.61549573193608 0.73967235658558 15.999 > 26 *79 O 0.10770746303819 0.11332191797271 0.04916302735193 15.999 > 27 80 O 0.10770746303819 0.11332191797271 0.38249636068526 15.999 > 27 81 O 0.10770746303819 0.11332191797271 0.71582969401860 15.999 > 27 82 O 0.92814464766637 0.38450426806392 0.23967235658558 15.999 > 28 83 O 0.92814464766637 0.38450426806392 0.57300568991892 15.999 > 28 84 O 0.92814464766637 0.38450426806392 0.90633902325225 15.999 > 28 *85 O 0.14673018110734 0.25000000000000 0.23529728631295 15.999 > 29 86 O 0.14673018110734 0.25000000000000 0.56863061964628 15.999 > 29 87 O 0.14673018110734 0.25000000000000 0.90196395297962 15.999 > 29 88 O 0.07185535233363 0.88450426806392 0.09366097674775 15.999 > 30 89 O 0.07185535233363 0.88450426806392 0.42699431008108 15.999 > 30 90 O 0.07185535233363 0.88450426806392 0.76032764341442 15.999 > 30 91 O 0.42814464766637 0.11549573193608 0.26032764341442 15.999 > 31 92 O 0.42814464766637 0.11549573193608 0.59366097674775 15.999 > 31 93 O 0.42814464766637 0.11549573193608 0.92699431008108 15.999 > 31 94 O 0.60770746303819 0.38667808202729 0.11750363931474 15.999 > 32 95 O 0.60770746303819 0.38667808202729 0.45083697264807 15.999 > 32 96 O 0.60770746303819 0.38667808202729 0.78417030598140 15.999 > 32 97 O 0.85326981889266 0.75000000000000 0.09803604702038 15.999 > 33 98 O 0.85326981889266 0.75000000000000 0.43136938035372 15.999 > 33 99 O 0.85326981889266 0.75000000000000 0.76470271368705 15.999 > 33 100 O 0.31299945964587 0.97244236055582 0.04848248016555 15.999 > 34 101 O 0.31299945964587 0.97244236055582 0.38181581349888 15.999 > 34 102 O 0.31299945964587 0.97244236055582 0.71514914683221 15.999 > 34 103 O 0.39229253696181 0.61332191797271 0.21582969401860 15.999 > 35 104 O 0.39229253696181 0.61332191797271 0.54916302735193 15.999 > 35 105 O 0.39229253696181 0.61332191797271 0.88249636068527 15.999 > 35 106 O 0.42814464766637 0.38450426806392 0.26032764341442 15.999 > 36 107 O 0.42814464766637 0.38450426806392 0.59366097674775 15.999 > 36 108 O 0.42814464766637 0.38450426806392 0.92699431008108 15.999 > 36 109 O 0.10770746303819 0.38667808202729 0.04916302735193 15.999 > 37 110 O 0.10770746303819 0.38667808202729 0.38249636068526 15.999 > 37 111 O 0.10770746303819 0.38667808202729 0.71582969401860 15.999 > 37 112 O 0.57185535233363 0.88450426806392 0.07300568991892 15.999 > 38 113 O 0.57185535233363 0.88450426806392 0.40633902325225 15.999 > 38 114 O 0.57185535233363 0.88450426806392 0.73967235658558 15.999 > 38 115 O 0.64673018110734 0.25000000000000 0.26470271368705 15.999 > 39 116 O 0.64673018110734 0.25000000000000 0.59803604702038 15.999 > 39 117 O 0.64673018110734 0.25000000000000 0.93136938035372 15.999 > 39 118 O 0.92814464766637 0.11549573193608 0.23967235658558 15.999 > 40 119 O 0.92814464766637 0.11549573193608 0.57300568991892 15.999 > 40 120 O 0.92814464766637 0.11549573193608 0.90633902325225 15.999 > 40 121 O 0.60770746303819 0.11332191797271 0.11750363931474 15.999 > 41 122 O 0.60770746303819 0.11332191797271 0.45083697264807 15.999 > 41 123 O 0.60770746303819 0.11332191797271 0.78417030598140 15.999 > 41 124 O 0.68700054035413 0.02755763944418 0.28485085316779 15.999 > 42 125 O 0.68700054035413 0.02755763944418 0.61818418650112 15.999 > 42 126 O 0.68700054035413 0.02755763944418 0.95151751983445 15.999 > 42 127 O 0.35326981889266 0.75000000000000 0.06863061964628 15.999 > 43 128 O 0.35326981889266 0.75000000000000 0.40196395297962 15.999 > 43 129 O 0.35326981889266 0.75000000000000 0.73529728631295 15.999 > 43 130 O 0.89229253696181 0.61332191797271 0.28417030598140 15.999 > 44 131 O 0.89229253696181 0.61332191797271 0.61750363931473 15.999 > 44 132 O 0.89229253696181 0.61332191797271 0.95083697264807 15.999 > 44 133 O 0.39229253696181 0.88667808202729 0.21582969401860 15.999 > 45 134 O 0.39229253696181 0.88667808202729 0.54916302735193 15.999 > 45 135 O 0.39229253696181 0.88667808202729 0.88249636068527 15.999 > 45 136 O 0.81299945964587 0.52755763944418 0.11818418650112 15.999 > 46 137 O 0.81299945964587 0.52755763944418 0.45151751983445 15.999 > 46 138 O 0.81299945964587 0.52755763944418 0.78485085316779 15.999 > 46 139 O 0.89229253696181 0.88667808202729 0.28417030598140 15.999 > 47 140 O 0.89229253696181 0.88667808202729 0.61750363931473 15.999 > 47 141 O 0.89229253696181 0.88667808202729 0.95083697264807 15.999 > 47 142 O 0.31299945964587 0.52755763944418 0.04848248016555 15.999 > 48 143 O 0.31299945964587 0.52755763944418 0.38181581349888 15.999 > 48 144 O 0.31299945964587 0.52755763944418 0.71514914683221 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1243994 0.0000000 0.0000000 0.0000000 3.0738220 0.0000000 0.0000000 0.0000000 3.0977655 -------------------------- Born effective charges -------------------------- 1 Ba 2.8142840 -0.0000000 0.0502072 0.0000000 2.6574696 -0.0000000 -0.0338699 0.0000000 2.7800938 2 Ba 2.8142840 -0.0000000 0.0502072 0.0000000 2.6574696 -0.0000000 -0.0338699 0.0000000 2.7800938 3 Ba 2.8142840 -0.0000000 -0.0502072 0.0000000 2.6574696 -0.0000000 0.0338699 0.0000000 2.7800938 4 Ba 2.8142840 -0.0000000 -0.0502072 0.0000000 2.6574696 -0.0000000 0.0338699 0.0000000 2.7800938 5 Be 1.8653605 -0.1216218 0.0828574 0.0230158 1.9136345 0.0576945 -0.0816845 -0.1053113 1.8843818 6 Be 1.8653605 0.1216218 -0.0828574 -0.0230158 1.9136345 0.0576945 0.0816845 -0.1053113 1.8843818 7 Be 1.8653605 0.1216218 0.0828574 -0.0230158 1.9136345 -0.0576945 -0.0816845 0.1053113 1.8843818 8 Be 1.8653605 -0.1216218 -0.0828574 0.0230158 1.9136345 -0.0576945 0.0816845 0.1053113 1.8843818 9 Be 1.8653605 0.1216218 -0.0828574 -0.0230158 1.9136345 0.0576945 0.0816845 -0.1053113 1.8843818 10 Be 1.8653605 0.1216218 0.0828574 -0.0230158 1.9136345 -0.0576945 -0.0816845 0.1053113 1.8843818 11 Be 1.8653605 -0.1216218 0.0828574 0.0230158 1.9136345 0.0576945 -0.0816845 -0.1053113 1.8843818 12 Be 1.8653605 -0.1216218 -0.0828574 0.0230158 1.9136345 -0.0576945 0.0816845 0.1053113 1.8843818 13 Si 3.0408927 -0.0411743 -0.0719757 -0.0098390 3.1449189 0.0724916 -0.0257233 -0.0309603 3.0081683 14 Si 3.0408927 -0.0411743 -0.0719757 -0.0098390 3.1449189 0.0724916 -0.0257233 -0.0309603 3.0081683 15 Si 3.0408927 0.0411743 0.0719757 0.0098390 3.1449189 0.0724916 0.0257233 -0.0309603 3.0081683 16 Si 3.0408927 0.0411743 0.0719757 0.0098390 3.1449189 0.0724916 0.0257233 -0.0309603 3.0081683 17 Si 3.0408927 0.0411743 -0.0719757 0.0098390 3.1449189 -0.0724916 -0.0257233 0.0309603 3.0081683 18 Si 3.0408927 -0.0411743 0.0719757 -0.0098390 3.1449189 -0.0724916 0.0257233 0.0309603 3.0081683 19 Si 3.0408927 -0.0411743 0.0719757 -0.0098390 3.1449189 -0.0724916 0.0257233 0.0309603 3.0081683 20 Si 3.0408927 0.0411743 -0.0719757 0.0098390 3.1449189 -0.0724916 -0.0257233 0.0309603 3.0081683 21 O -1.8634749 -0.3383557 -0.0530477 -0.4370446 -1.6274757 0.3006654 0.0395862 0.2971615 -1.9338130 22 O -2.1470254 0.2906699 -0.2309363 0.2435399 -1.7328270 -0.0193648 -0.2480892 -0.0130809 -1.5452888 23 O -1.8634749 0.3383557 -0.0530477 0.4370446 -1.6274757 -0.3006654 0.0395862 -0.2971615 -1.9338130 24 O -1.8634749 -0.3383557 0.0530477 -0.4370446 -1.6274757 -0.3006654 -0.0395862 -0.2971615 -1.9338130 25 O -1.8634749 0.3383557 -0.0530477 0.4370446 -1.6274757 -0.3006654 0.0395862 -0.2971615 -1.9338130 26 O -2.1470254 0.2906699 0.2309363 0.2435399 -1.7328270 0.0193648 0.2480892 0.0130809 -1.5452888 27 O -1.5870876 0.0841696 -0.1913904 0.0937152 -1.7267186 0.2555912 -0.2277717 0.2631313 -2.0978272 28 O -2.1470254 0.2906699 -0.2309363 0.2435399 -1.7328270 -0.0193648 -0.2480892 -0.0130809 -1.5452888 29 O -1.4316147 -0.0000000 0.1566483 0.0000000 -2.6005337 -0.0000000 0.1540338 0.0000000 -1.4113358 30 O -2.1470254 -0.2906699 -0.2309363 -0.2435399 -1.7328270 0.0193648 -0.2480892 0.0130809 -1.5452888 31 O -2.1470254 -0.2906699 0.2309363 -0.2435399 -1.7328270 -0.0193648 0.2480892 -0.0130809 -1.5452888 32 O -1.5870876 -0.0841696 0.1913904 -0.0937152 -1.7267186 0.2555912 0.2277717 0.2631313 -2.0978272 33 O -1.4316147 -0.0000000 0.1566483 0.0000000 -2.6005337 -0.0000000 0.1540338 0.0000000 -1.4113358 34 O -1.8634749 0.3383557 0.0530477 0.4370446 -1.6274757 0.3006654 -0.0395862 0.2971615 -1.9338130 35 O -1.5870876 -0.0841696 0.1913904 -0.0937152 -1.7267186 0.2555912 0.2277717 0.2631313 -2.0978272 36 O -2.1470254 0.2906699 0.2309363 0.2435399 -1.7328270 0.0193648 0.2480892 0.0130809 -1.5452888 37 O -1.5870876 -0.0841696 -0.1913904 -0.0937152 -1.7267186 -0.2555912 -0.2277717 -0.2631313 -2.0978272 38 O -2.1470254 -0.2906699 0.2309363 -0.2435399 -1.7328270 -0.0193648 0.2480892 -0.0130809 -1.5452888 39 O -1.4316147 -0.0000000 -0.1566483 0.0000000 -2.6005337 -0.0000000 -0.1540338 0.0000000 -1.4113358 40 O -2.1470254 -0.2906699 -0.2309363 -0.2435399 -1.7328270 0.0193648 -0.2480892 0.0130809 -1.5452888 41 O -1.5870876 0.0841696 0.1913904 0.0937152 -1.7267186 -0.2555912 0.2277717 -0.2631313 -2.0978272 42 O -1.8634749 0.3383557 0.0530477 0.4370446 -1.6274757 0.3006654 -0.0395862 0.2971615 -1.9338130 43 O -1.4316147 -0.0000000 -0.1566483 0.0000000 -2.6005337 -0.0000000 -0.1540338 0.0000000 -1.4113358 44 O -1.5870876 -0.0841696 -0.1913904 -0.0937152 -1.7267186 -0.2555912 -0.2277717 -0.2631313 -2.0978272 45 O -1.5870876 0.0841696 0.1913904 0.0937152 -1.7267186 -0.2555912 0.2277717 -0.2631313 -2.0978272 46 O -1.8634749 -0.3383557 -0.0530477 -0.4370446 -1.6274757 0.3006654 0.0395862 0.2971615 -1.9338130 47 O -1.5870876 0.0841696 -0.1913904 0.0937152 -1.7267186 0.2555912 -0.2277717 0.2631313 -2.0978272 48 O -1.8634749 -0.3383557 0.0530477 -0.4370446 -1.6274757 -0.3006654 -0.0395862 -0.2971615 -1.9338130 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 377 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 11), data: (888, 25) @ (25, 11) |-- (388, 377), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.330 Solver_block: 200 / 720 - Time: 1.186 Solver_block: 300 / 720 - Time: 1.187 Solver_block: 400 / 720 - Time: 1.186 Solver_block: 500 / 720 - Time: 1.190 Solver_block: 600 / 720 - Time: 1.190 Solver_block: 700 / 720 - Time: 1.192 Solver_block: 720 / 720 - Time: 0.410 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.085 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 377 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 11), data: (888, 25) @ (25, 11) |-- (388, 377), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:35:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:35:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673556819999999 Atomic positions (fractional): 1 Ba 0.15222637485088 0.75000000000000 0.75023119958323 137.327 2 Ba 0.84777362514912 0.25000000000000 0.24976880041677 137.327 3 Ba 0.65222637485088 0.75000000000000 0.74976880041677 137.327 4 Ba 0.34777362514912 0.25000000000000 0.25023119958323 137.327 5 Be 0.66310190199834 0.50084814550014 0.19960352214874 9.012 6 Be 0.83689809800166 0.00084814550014 0.69960352214874 9.012 7 Be 0.33689809800166 0.00084814550014 0.80039647785126 9.012 8 Be 0.83689809800166 0.49915185449986 0.69960352214874 9.012 9 Be 0.16310190199834 0.99915185449986 0.30039647785126 9.012 10 Be 0.66310190199834 0.99915185449986 0.19960352214874 9.012 11 Be 0.33689809800166 0.49915185449986 0.80039647785126 9.012 12 Be 0.16310190199834 0.50084814550014 0.30039647785126 9.012 13 Si 0.58778869465452 0.12172835444491 0.69710509304197 28.085 14 Si 0.41221130534548 0.87827164555509 0.30289490695803 28.085 15 Si 0.91221130534548 0.62172835444491 0.19710509304197 28.085 16 Si 0.08778869465453 0.37827164555509 0.80289490695803 28.085 17 Si 0.41221130534548 0.62172835444491 0.30289490695803 28.085 18 Si 0.91221130534548 0.87827164555509 0.19710509304197 28.085 19 Si 0.08778869465453 0.12172835444491 0.80289490695803 28.085 20 Si 0.58778869465452 0.37827164555509 0.69710509304197 28.085 21 O 0.18700054035413 0.47244236055582 0.64544744049664 15.999 22 O 0.07185535233363 0.61549573193608 0.28098293024325 15.999 23 O 0.81299945964587 0.97244236055582 0.35455255950336 15.999 24 O 0.68700054035413 0.47244236055582 0.85455255950336 15.999 25 O 0.18700054035413 0.02755763944418 0.64544744049664 15.999 26 O 0.57185535233363 0.61549573193608 0.21901706975675 15.999 27 O 0.10770746303819 0.11332191797271 0.14748908205579 15.999 28 O 0.92814464766637 0.38450426806392 0.71901706975675 15.999 29 O 0.14673018110734 0.25000000000000 0.70589185893885 15.999 30 O 0.07185535233363 0.88450426806392 0.28098293024325 15.999 31 O 0.42814464766637 0.11549573193608 0.78098293024325 15.999 32 O 0.60770746303819 0.38667808202729 0.35251091794421 15.999 33 O 0.85326981889266 0.75000000000000 0.29410814106115 15.999 34 O 0.31299945964587 0.97244236055582 0.14544744049664 15.999 35 O 0.39229253696181 0.61332191797271 0.64748908205580 15.999 36 O 0.42814464766637 0.38450426806392 0.78098293024325 15.999 37 O 0.10770746303819 0.38667808202729 0.14748908205579 15.999 38 O 0.57185535233363 0.88450426806392 0.21901706975675 15.999 39 O 0.64673018110734 0.25000000000000 0.79410814106115 15.999 40 O 0.92814464766637 0.11549573193608 0.71901706975675 15.999 41 O 0.60770746303819 0.11332191797271 0.35251091794421 15.999 42 O 0.68700054035413 0.02755763944418 0.85455255950336 15.999 43 O 0.35326981889266 0.75000000000000 0.20589185893885 15.999 44 O 0.89229253696181 0.61332191797271 0.85251091794420 15.999 45 O 0.39229253696181 0.88667808202729 0.64748908205580 15.999 46 O 0.81299945964587 0.52755763944418 0.35455255950336 15.999 47 O 0.89229253696181 0.88667808202729 0.85251091794420 15.999 48 O 0.31299945964587 0.52755763944418 0.14544744049664 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.020670459999998 Atomic positions (fractional): 1 Ba 0.15222637485088 0.75000000000000 0.25007706652774 137.327 > 1 2 Ba 0.15222637485088 0.75000000000000 0.58341039986108 137.327 > 1 3 Ba 0.15222637485088 0.75000000000000 0.91674373319441 137.327 > 1 4 Ba 0.84777362514912 0.25000000000000 0.08325626680559 137.327 > 4 5 Ba 0.84777362514912 0.25000000000000 0.41658960013892 137.327 > 4 6 Ba 0.84777362514912 0.25000000000000 0.74992293347226 137.327 > 4 7 Ba 0.65222637485088 0.75000000000000 0.24992293347226 137.327 > 7 8 Ba 0.65222637485088 0.75000000000000 0.58325626680559 137.327 > 7 9 Ba 0.65222637485088 0.75000000000000 0.91658960013892 137.327 > 7 10 Ba 0.34777362514912 0.25000000000000 0.08341039986108 137.327 > 10 11 Ba 0.34777362514912 0.25000000000000 0.41674373319441 137.327 > 10 12 Ba 0.34777362514912 0.25000000000000 0.75007706652774 137.327 > 10 13 Be 0.66310190199834 0.50084814550014 0.06653450738291 9.012 > 13 14 Be 0.66310190199834 0.50084814550014 0.39986784071625 9.012 > 13 15 Be 0.66310190199834 0.50084814550014 0.73320117404958 9.012 > 13 16 Be 0.83689809800166 0.00084814550014 0.23320117404958 9.012 > 16 17 Be 0.83689809800166 0.00084814550014 0.56653450738291 9.012 > 16 18 Be 0.83689809800166 0.00084814550014 0.89986784071625 9.012 > 16 19 Be 0.33689809800166 0.00084814550014 0.26679882595042 9.012 > 19 20 Be 0.33689809800166 0.00084814550014 0.60013215928375 9.012 > 19 21 Be 0.33689809800166 0.00084814550014 0.93346549261709 9.012 > 19 22 Be 0.83689809800166 0.49915185449986 0.23320117404958 9.012 > 22 23 Be 0.83689809800166 0.49915185449986 0.56653450738291 9.012 > 22 24 Be 0.83689809800166 0.49915185449986 0.89986784071625 9.012 > 22 25 Be 0.16310190199834 0.99915185449986 0.10013215928375 9.012 > 25 26 Be 0.16310190199834 0.99915185449986 0.43346549261709 9.012 > 25 27 Be 0.16310190199834 0.99915185449986 0.76679882595042 9.012 > 25 28 Be 0.66310190199834 0.99915185449986 0.06653450738291 9.012 > 28 29 Be 0.66310190199834 0.99915185449986 0.39986784071625 9.012 > 28 30 Be 0.66310190199834 0.99915185449986 0.73320117404958 9.012 > 28 31 Be 0.33689809800166 0.49915185449986 0.26679882595042 9.012 > 31 32 Be 0.33689809800166 0.49915185449986 0.60013215928375 9.012 > 31 33 Be 0.33689809800166 0.49915185449986 0.93346549261709 9.012 > 31 34 Be 0.16310190199834 0.50084814550014 0.10013215928375 9.012 > 34 35 Be 0.16310190199834 0.50084814550014 0.43346549261709 9.012 > 34 36 Be 0.16310190199834 0.50084814550014 0.76679882595042 9.012 > 34 37 Si 0.58778869465452 0.12172835444491 0.23236836434732 28.085 > 37 38 Si 0.58778869465452 0.12172835444491 0.56570169768066 28.085 > 37 39 Si 0.58778869465452 0.12172835444491 0.89903503101399 28.085 > 37 40 Si 0.41221130534548 0.87827164555509 0.10096496898601 28.085 > 40 41 Si 0.41221130534548 0.87827164555509 0.43429830231934 28.085 > 40 42 Si 0.41221130534548 0.87827164555509 0.76763163565268 28.085 > 40 43 Si 0.91221130534548 0.62172835444491 0.06570169768066 28.085 > 43 44 Si 0.91221130534548 0.62172835444491 0.39903503101399 28.085 > 43 45 Si 0.91221130534548 0.62172835444491 0.73236836434732 28.085 > 43 46 Si 0.08778869465453 0.37827164555509 0.26763163565268 28.085 > 46 47 Si 0.08778869465453 0.37827164555509 0.60096496898601 28.085 > 46 48 Si 0.08778869465453 0.37827164555509 0.93429830231934 28.085 > 46 49 Si 0.41221130534548 0.62172835444491 0.10096496898601 28.085 > 49 50 Si 0.41221130534548 0.62172835444491 0.43429830231934 28.085 > 49 51 Si 0.41221130534548 0.62172835444491 0.76763163565268 28.085 > 49 52 Si 0.91221130534548 0.87827164555509 0.06570169768066 28.085 > 52 53 Si 0.91221130534548 0.87827164555509 0.39903503101399 28.085 > 52 54 Si 0.91221130534548 0.87827164555509 0.73236836434732 28.085 > 52 55 Si 0.08778869465453 0.12172835444491 0.26763163565268 28.085 > 55 56 Si 0.08778869465453 0.12172835444491 0.60096496898601 28.085 > 55 57 Si 0.08778869465453 0.12172835444491 0.93429830231934 28.085 > 55 58 Si 0.58778869465452 0.37827164555509 0.23236836434732 28.085 > 58 59 Si 0.58778869465452 0.37827164555509 0.56570169768066 28.085 > 58 60 Si 0.58778869465452 0.37827164555509 0.89903503101399 28.085 > 58 61 O 0.18700054035413 0.47244236055582 0.21514914683221 15.999 > 61 62 O 0.18700054035413 0.47244236055582 0.54848248016555 15.999 > 61 63 O 0.18700054035413 0.47244236055582 0.88181581349888 15.999 > 61 64 O 0.07185535233363 0.61549573193608 0.09366097674775 15.999 > 64 65 O 0.07185535233363 0.61549573193608 0.42699431008108 15.999 > 64 66 O 0.07185535233363 0.61549573193608 0.76032764341442 15.999 > 64 67 O 0.81299945964587 0.97244236055582 0.11818418650112 15.999 > 67 68 O 0.81299945964587 0.97244236055582 0.45151751983445 15.999 > 67 69 O 0.81299945964587 0.97244236055582 0.78485085316779 15.999 > 67 70 O 0.68700054035413 0.47244236055582 0.28485085316779 15.999 > 70 71 O 0.68700054035413 0.47244236055582 0.61818418650112 15.999 > 70 72 O 0.68700054035413 0.47244236055582 0.95151751983445 15.999 > 70 73 O 0.18700054035413 0.02755763944418 0.21514914683221 15.999 > 73 74 O 0.18700054035413 0.02755763944418 0.54848248016555 15.999 > 73 75 O 0.18700054035413 0.02755763944418 0.88181581349888 15.999 > 73 76 O 0.57185535233363 0.61549573193608 0.07300568991892 15.999 > 76 77 O 0.57185535233363 0.61549573193608 0.40633902325225 15.999 > 76 78 O 0.57185535233363 0.61549573193608 0.73967235658558 15.999 > 76 79 O 0.10770746303819 0.11332191797271 0.04916302735193 15.999 > 79 80 O 0.10770746303819 0.11332191797271 0.38249636068526 15.999 > 79 81 O 0.10770746303819 0.11332191797271 0.71582969401860 15.999 > 79 82 O 0.92814464766637 0.38450426806392 0.23967235658558 15.999 > 82 83 O 0.92814464766637 0.38450426806392 0.57300568991892 15.999 > 82 84 O 0.92814464766637 0.38450426806392 0.90633902325225 15.999 > 82 85 O 0.14673018110734 0.25000000000000 0.23529728631295 15.999 > 85 86 O 0.14673018110734 0.25000000000000 0.56863061964628 15.999 > 85 87 O 0.14673018110734 0.25000000000000 0.90196395297962 15.999 > 85 88 O 0.07185535233363 0.88450426806392 0.09366097674775 15.999 > 88 89 O 0.07185535233363 0.88450426806392 0.42699431008108 15.999 > 88 90 O 0.07185535233363 0.88450426806392 0.76032764341442 15.999 > 88 91 O 0.42814464766637 0.11549573193608 0.26032764341442 15.999 > 91 92 O 0.42814464766637 0.11549573193608 0.59366097674775 15.999 > 91 93 O 0.42814464766637 0.11549573193608 0.92699431008108 15.999 > 91 94 O 0.60770746303819 0.38667808202729 0.11750363931474 15.999 > 94 95 O 0.60770746303819 0.38667808202729 0.45083697264807 15.999 > 94 96 O 0.60770746303819 0.38667808202729 0.78417030598140 15.999 > 94 97 O 0.85326981889266 0.75000000000000 0.09803604702038 15.999 > 97 98 O 0.85326981889266 0.75000000000000 0.43136938035372 15.999 > 97 99 O 0.85326981889266 0.75000000000000 0.76470271368705 15.999 > 97 100 O 0.31299945964587 0.97244236055582 0.04848248016555 15.999 > 100 101 O 0.31299945964587 0.97244236055582 0.38181581349888 15.999 > 100 102 O 0.31299945964587 0.97244236055582 0.71514914683221 15.999 > 100 103 O 0.39229253696181 0.61332191797271 0.21582969401860 15.999 > 103 104 O 0.39229253696181 0.61332191797271 0.54916302735193 15.999 > 103 105 O 0.39229253696181 0.61332191797271 0.88249636068527 15.999 > 103 106 O 0.42814464766637 0.38450426806392 0.26032764341442 15.999 > 106 107 O 0.42814464766637 0.38450426806392 0.59366097674775 15.999 > 106 108 O 0.42814464766637 0.38450426806392 0.92699431008108 15.999 > 106 109 O 0.10770746303819 0.38667808202729 0.04916302735193 15.999 > 109 110 O 0.10770746303819 0.38667808202729 0.38249636068526 15.999 > 109 111 O 0.10770746303819 0.38667808202729 0.71582969401860 15.999 > 109 112 O 0.57185535233363 0.88450426806392 0.07300568991892 15.999 > 112 113 O 0.57185535233363 0.88450426806392 0.40633902325225 15.999 > 112 114 O 0.57185535233363 0.88450426806392 0.73967235658558 15.999 > 112 115 O 0.64673018110734 0.25000000000000 0.26470271368705 15.999 > 115 116 O 0.64673018110734 0.25000000000000 0.59803604702038 15.999 > 115 117 O 0.64673018110734 0.25000000000000 0.93136938035372 15.999 > 115 118 O 0.92814464766637 0.11549573193608 0.23967235658558 15.999 > 118 119 O 0.92814464766637 0.11549573193608 0.57300568991892 15.999 > 118 120 O 0.92814464766637 0.11549573193608 0.90633902325225 15.999 > 118 121 O 0.60770746303819 0.11332191797271 0.11750363931474 15.999 > 121 122 O 0.60770746303819 0.11332191797271 0.45083697264807 15.999 > 121 123 O 0.60770746303819 0.11332191797271 0.78417030598140 15.999 > 121 124 O 0.68700054035413 0.02755763944418 0.28485085316779 15.999 > 124 125 O 0.68700054035413 0.02755763944418 0.61818418650112 15.999 > 124 126 O 0.68700054035413 0.02755763944418 0.95151751983445 15.999 > 124 127 O 0.35326981889266 0.75000000000000 0.06863061964628 15.999 > 127 128 O 0.35326981889266 0.75000000000000 0.40196395297962 15.999 > 127 129 O 0.35326981889266 0.75000000000000 0.73529728631295 15.999 > 127 130 O 0.89229253696181 0.61332191797271 0.28417030598140 15.999 > 130 131 O 0.89229253696181 0.61332191797271 0.61750363931473 15.999 > 130 132 O 0.89229253696181 0.61332191797271 0.95083697264807 15.999 > 130 133 O 0.39229253696181 0.88667808202729 0.21582969401860 15.999 > 133 134 O 0.39229253696181 0.88667808202729 0.54916302735193 15.999 > 133 135 O 0.39229253696181 0.88667808202729 0.88249636068527 15.999 > 133 136 O 0.81299945964587 0.52755763944418 0.11818418650112 15.999 > 136 137 O 0.81299945964587 0.52755763944418 0.45151751983445 15.999 > 136 138 O 0.81299945964587 0.52755763944418 0.78485085316779 15.999 > 136 139 O 0.89229253696181 0.88667808202729 0.28417030598140 15.999 > 139 140 O 0.89229253696181 0.88667808202729 0.61750363931473 15.999 > 139 141 O 0.89229253696181 0.88667808202729 0.95083697264807 15.999 > 139 142 O 0.31299945964587 0.52755763944418 0.04848248016555 15.999 > 142 143 O 0.31299945964587 0.52755763944418 0.38181581349888 15.999 > 142 144 O 0.31299945964587 0.52755763944418 0.71514914683221 15.999 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1243994 0.0000000 0.0000000 0.0000000 3.0738220 0.0000000 0.0000000 0.0000000 3.0977655 -------------------------- Born effective charges -------------------------- 1 Ba 2.8142840 -0.0000000 0.0502072 0.0000000 2.6574696 -0.0000000 -0.0338699 0.0000000 2.7800938 2 Ba 2.8142840 -0.0000000 0.0502072 0.0000000 2.6574696 -0.0000000 -0.0338699 0.0000000 2.7800938 3 Ba 2.8142840 -0.0000000 -0.0502072 0.0000000 2.6574696 -0.0000000 0.0338699 0.0000000 2.7800938 4 Ba 2.8142840 -0.0000000 -0.0502072 0.0000000 2.6574696 -0.0000000 0.0338699 0.0000000 2.7800938 5 Be 1.8653605 -0.1216218 0.0828574 0.0230158 1.9136345 0.0576945 -0.0816845 -0.1053113 1.8843818 6 Be 1.8653605 0.1216218 -0.0828574 -0.0230158 1.9136345 0.0576945 0.0816845 -0.1053113 1.8843818 7 Be 1.8653605 0.1216218 0.0828574 -0.0230158 1.9136345 -0.0576945 -0.0816845 0.1053113 1.8843818 8 Be 1.8653605 -0.1216218 -0.0828574 0.0230158 1.9136345 -0.0576945 0.0816845 0.1053113 1.8843818 9 Be 1.8653605 0.1216218 -0.0828574 -0.0230158 1.9136345 0.0576945 0.0816845 -0.1053113 1.8843818 10 Be 1.8653605 0.1216218 0.0828574 -0.0230158 1.9136345 -0.0576945 -0.0816845 0.1053113 1.8843818 11 Be 1.8653605 -0.1216218 0.0828574 0.0230158 1.9136345 0.0576945 -0.0816845 -0.1053113 1.8843818 12 Be 1.8653605 -0.1216218 -0.0828574 0.0230158 1.9136345 -0.0576945 0.0816845 0.1053113 1.8843818 13 Si 3.0408927 -0.0411743 -0.0719757 -0.0098390 3.1449189 0.0724916 -0.0257233 -0.0309603 3.0081683 14 Si 3.0408927 -0.0411743 -0.0719757 -0.0098390 3.1449189 0.0724916 -0.0257233 -0.0309603 3.0081683 15 Si 3.0408927 0.0411743 0.0719757 0.0098390 3.1449189 0.0724916 0.0257233 -0.0309603 3.0081683 16 Si 3.0408927 0.0411743 0.0719757 0.0098390 3.1449189 0.0724916 0.0257233 -0.0309603 3.0081683 17 Si 3.0408927 0.0411743 -0.0719757 0.0098390 3.1449189 -0.0724916 -0.0257233 0.0309603 3.0081683 18 Si 3.0408927 -0.0411743 0.0719757 -0.0098390 3.1449189 -0.0724916 0.0257233 0.0309603 3.0081683 19 Si 3.0408927 -0.0411743 0.0719757 -0.0098390 3.1449189 -0.0724916 0.0257233 0.0309603 3.0081683 20 Si 3.0408927 0.0411743 -0.0719757 0.0098390 3.1449189 -0.0724916 -0.0257233 0.0309603 3.0081683 21 O -1.8634749 -0.3383557 -0.0530477 -0.4370446 -1.6274757 0.3006654 0.0395862 0.2971615 -1.9338130 22 O -2.1470254 0.2906699 -0.2309363 0.2435399 -1.7328270 -0.0193648 -0.2480892 -0.0130809 -1.5452888 23 O -1.8634749 0.3383557 -0.0530477 0.4370446 -1.6274757 -0.3006654 0.0395862 -0.2971615 -1.9338130 24 O -1.8634749 -0.3383557 0.0530477 -0.4370446 -1.6274757 -0.3006654 -0.0395862 -0.2971615 -1.9338130 25 O -1.8634749 0.3383557 -0.0530477 0.4370446 -1.6274757 -0.3006654 0.0395862 -0.2971615 -1.9338130 26 O -2.1470254 0.2906699 0.2309363 0.2435399 -1.7328270 0.0193648 0.2480892 0.0130809 -1.5452888 27 O -1.5870876 0.0841696 -0.1913904 0.0937152 -1.7267186 0.2555912 -0.2277717 0.2631313 -2.0978272 28 O -2.1470254 0.2906699 -0.2309363 0.2435399 -1.7328270 -0.0193648 -0.2480892 -0.0130809 -1.5452888 29 O -1.4316147 -0.0000000 0.1566483 0.0000000 -2.6005337 -0.0000000 0.1540338 0.0000000 -1.4113358 30 O -2.1470254 -0.2906699 -0.2309363 -0.2435399 -1.7328270 0.0193648 -0.2480892 0.0130809 -1.5452888 31 O -2.1470254 -0.2906699 0.2309363 -0.2435399 -1.7328270 -0.0193648 0.2480892 -0.0130809 -1.5452888 32 O -1.5870876 -0.0841696 0.1913904 -0.0937152 -1.7267186 0.2555912 0.2277717 0.2631313 -2.0978272 33 O -1.4316147 -0.0000000 0.1566483 0.0000000 -2.6005337 -0.0000000 0.1540338 0.0000000 -1.4113358 34 O -1.8634749 0.3383557 0.0530477 0.4370446 -1.6274757 0.3006654 -0.0395862 0.2971615 -1.9338130 35 O -1.5870876 -0.0841696 0.1913904 -0.0937152 -1.7267186 0.2555912 0.2277717 0.2631313 -2.0978272 36 O -2.1470254 0.2906699 0.2309363 0.2435399 -1.7328270 0.0193648 0.2480892 0.0130809 -1.5452888 37 O -1.5870876 -0.0841696 -0.1913904 -0.0937152 -1.7267186 -0.2555912 -0.2277717 -0.2631313 -2.0978272 38 O -2.1470254 -0.2906699 0.2309363 -0.2435399 -1.7328270 -0.0193648 0.2480892 -0.0130809 -1.5452888 39 O -1.4316147 -0.0000000 -0.1566483 0.0000000 -2.6005337 -0.0000000 -0.1540338 0.0000000 -1.4113358 40 O -2.1470254 -0.2906699 -0.2309363 -0.2435399 -1.7328270 0.0193648 -0.2480892 0.0130809 -1.5452888 41 O -1.5870876 0.0841696 0.1913904 0.0937152 -1.7267186 -0.2555912 0.2277717 -0.2631313 -2.0978272 42 O -1.8634749 0.3383557 0.0530477 0.4370446 -1.6274757 0.3006654 -0.0395862 0.2971615 -1.9338130 43 O -1.4316147 -0.0000000 -0.1566483 0.0000000 -2.6005337 -0.0000000 -0.1540338 0.0000000 -1.4113358 44 O -1.5870876 -0.0841696 -0.1913904 -0.0937152 -1.7267186 -0.2555912 -0.2277717 -0.2631313 -2.0978272 45 O -1.5870876 0.0841696 0.1913904 0.0937152 -1.7267186 -0.2555912 0.2277717 -0.2631313 -2.0978272 46 O -1.8634749 -0.3383557 -0.0530477 -0.4370446 -1.6274757 0.3006654 0.0395862 0.2971615 -1.9338130 47 O -1.5870876 0.0841696 -0.1913904 0.0937152 -1.7267186 0.2555912 -0.2277717 0.2631313 -2.0978272 48 O -1.8634749 -0.3383557 0.0530477 -0.4370446 -1.6274757 -0.3006654 -0.0395862 -0.2971615 -1.9338130 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 21:36:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:36:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.673556819999999 Atomic positions (fractional): 1 Ba 0.15222637485088 0.75000000000000 0.75023119958323 137.327 2 Ba 0.84777362514912 0.25000000000000 0.24976880041677 137.327 3 Ba 0.65222637485088 0.75000000000000 0.74976880041677 137.327 4 Ba 0.34777362514912 0.25000000000000 0.25023119958323 137.327 5 Be 0.66310190199834 0.50084814550014 0.19960352214874 9.012 6 Be 0.83689809800166 0.00084814550014 0.69960352214874 9.012 7 Be 0.33689809800166 0.00084814550014 0.80039647785126 9.012 8 Be 0.83689809800166 0.49915185449986 0.69960352214874 9.012 9 Be 0.16310190199834 0.99915185449986 0.30039647785126 9.012 10 Be 0.66310190199834 0.99915185449986 0.19960352214874 9.012 11 Be 0.33689809800166 0.49915185449986 0.80039647785126 9.012 12 Be 0.16310190199834 0.50084814550014 0.30039647785126 9.012 13 Si 0.58778869465452 0.12172835444491 0.69710509304197 28.085 14 Si 0.41221130534548 0.87827164555509 0.30289490695803 28.085 15 Si 0.91221130534548 0.62172835444491 0.19710509304197 28.085 16 Si 0.08778869465453 0.37827164555509 0.80289490695803 28.085 17 Si 0.41221130534548 0.62172835444491 0.30289490695803 28.085 18 Si 0.91221130534548 0.87827164555509 0.19710509304197 28.085 19 Si 0.08778869465453 0.12172835444491 0.80289490695803 28.085 20 Si 0.58778869465452 0.37827164555509 0.69710509304197 28.085 21 O 0.18700054035413 0.47244236055582 0.64544744049664 15.999 22 O 0.07185535233363 0.61549573193608 0.28098293024325 15.999 23 O 0.81299945964587 0.97244236055582 0.35455255950336 15.999 24 O 0.68700054035413 0.47244236055582 0.85455255950336 15.999 25 O 0.18700054035413 0.02755763944418 0.64544744049664 15.999 26 O 0.57185535233363 0.61549573193608 0.21901706975675 15.999 27 O 0.10770746303819 0.11332191797271 0.14748908205579 15.999 28 O 0.92814464766637 0.38450426806392 0.71901706975675 15.999 29 O 0.14673018110734 0.25000000000000 0.70589185893885 15.999 30 O 0.07185535233363 0.88450426806392 0.28098293024325 15.999 31 O 0.42814464766637 0.11549573193608 0.78098293024325 15.999 32 O 0.60770746303819 0.38667808202729 0.35251091794421 15.999 33 O 0.85326981889266 0.75000000000000 0.29410814106115 15.999 34 O 0.31299945964587 0.97244236055582 0.14544744049664 15.999 35 O 0.39229253696181 0.61332191797271 0.64748908205580 15.999 36 O 0.42814464766637 0.38450426806392 0.78098293024325 15.999 37 O 0.10770746303819 0.38667808202729 0.14748908205579 15.999 38 O 0.57185535233363 0.88450426806392 0.21901706975675 15.999 39 O 0.64673018110734 0.25000000000000 0.79410814106115 15.999 40 O 0.92814464766637 0.11549573193608 0.71901706975675 15.999 41 O 0.60770746303819 0.11332191797271 0.35251091794421 15.999 42 O 0.68700054035413 0.02755763944418 0.85455255950336 15.999 43 O 0.35326981889266 0.75000000000000 0.20589185893885 15.999 44 O 0.89229253696181 0.61332191797271 0.85251091794420 15.999 45 O 0.39229253696181 0.88667808202729 0.64748908205580 15.999 46 O 0.81299945964587 0.52755763944418 0.35455255950336 15.999 47 O 0.89229253696181 0.88667808202729 0.85251091794420 15.999 48 O 0.31299945964587 0.52755763944418 0.14544744049664 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.816493169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677774400000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.020670459999998 Atomic positions (fractional): 1 Ba 0.15222637485088 0.75000000000000 0.25007706652774 137.327 > 1 2 Ba 0.15222637485088 0.75000000000000 0.58341039986108 137.327 > 1 3 Ba 0.15222637485088 0.75000000000000 0.91674373319441 137.327 > 1 4 Ba 0.84777362514912 0.25000000000000 0.08325626680559 137.327 > 4 5 Ba 0.84777362514912 0.25000000000000 0.41658960013892 137.327 > 4 6 Ba 0.84777362514912 0.25000000000000 0.74992293347226 137.327 > 4 7 Ba 0.65222637485088 0.75000000000000 0.24992293347226 137.327 > 7 8 Ba 0.65222637485088 0.75000000000000 0.58325626680559 137.327 > 7 9 Ba 0.65222637485088 0.75000000000000 0.91658960013892 137.327 > 7 10 Ba 0.34777362514912 0.25000000000000 0.08341039986108 137.327 > 10 11 Ba 0.34777362514912 0.25000000000000 0.41674373319441 137.327 > 10 12 Ba 0.34777362514912 0.25000000000000 0.75007706652774 137.327 > 10 13 Be 0.66310190199834 0.50084814550014 0.06653450738291 9.012 > 13 14 Be 0.66310190199834 0.50084814550014 0.39986784071625 9.012 > 13 15 Be 0.66310190199834 0.50084814550014 0.73320117404958 9.012 > 13 16 Be 0.83689809800166 0.00084814550014 0.23320117404958 9.012 > 16 17 Be 0.83689809800166 0.00084814550014 0.56653450738291 9.012 > 16 18 Be 0.83689809800166 0.00084814550014 0.89986784071625 9.012 > 16 19 Be 0.33689809800166 0.00084814550014 0.26679882595042 9.012 > 19 20 Be 0.33689809800166 0.00084814550014 0.60013215928375 9.012 > 19 21 Be 0.33689809800166 0.00084814550014 0.93346549261709 9.012 > 19 22 Be 0.83689809800166 0.49915185449986 0.23320117404958 9.012 > 22 23 Be 0.83689809800166 0.49915185449986 0.56653450738291 9.012 > 22 24 Be 0.83689809800166 0.49915185449986 0.89986784071625 9.012 > 22 25 Be 0.16310190199834 0.99915185449986 0.10013215928375 9.012 > 25 26 Be 0.16310190199834 0.99915185449986 0.43346549261709 9.012 > 25 27 Be 0.16310190199834 0.99915185449986 0.76679882595042 9.012 > 25 28 Be 0.66310190199834 0.99915185449986 0.06653450738291 9.012 > 28 29 Be 0.66310190199834 0.99915185449986 0.39986784071625 9.012 > 28 30 Be 0.66310190199834 0.99915185449986 0.73320117404958 9.012 > 28 31 Be 0.33689809800166 0.49915185449986 0.26679882595042 9.012 > 31 32 Be 0.33689809800166 0.49915185449986 0.60013215928375 9.012 > 31 33 Be 0.33689809800166 0.49915185449986 0.93346549261709 9.012 > 31 34 Be 0.16310190199834 0.50084814550014 0.10013215928375 9.012 > 34 35 Be 0.16310190199834 0.50084814550014 0.43346549261709 9.012 > 34 36 Be 0.16310190199834 0.50084814550014 0.76679882595042 9.012 > 34 37 Si 0.58778869465452 0.12172835444491 0.23236836434732 28.085 > 37 38 Si 0.58778869465452 0.12172835444491 0.56570169768066 28.085 > 37 39 Si 0.58778869465452 0.12172835444491 0.89903503101399 28.085 > 37 40 Si 0.41221130534548 0.87827164555509 0.10096496898601 28.085 > 40 41 Si 0.41221130534548 0.87827164555509 0.43429830231934 28.085 > 40 42 Si 0.41221130534548 0.87827164555509 0.76763163565268 28.085 > 40 43 Si 0.91221130534548 0.62172835444491 0.06570169768066 28.085 > 43 44 Si 0.91221130534548 0.62172835444491 0.39903503101399 28.085 > 43 45 Si 0.91221130534548 0.62172835444491 0.73236836434732 28.085 > 43 46 Si 0.08778869465453 0.37827164555509 0.26763163565268 28.085 > 46 47 Si 0.08778869465453 0.37827164555509 0.60096496898601 28.085 > 46 48 Si 0.08778869465453 0.37827164555509 0.93429830231934 28.085 > 46 49 Si 0.41221130534548 0.62172835444491 0.10096496898601 28.085 > 49 50 Si 0.41221130534548 0.62172835444491 0.43429830231934 28.085 > 49 51 Si 0.41221130534548 0.62172835444491 0.76763163565268 28.085 > 49 52 Si 0.91221130534548 0.87827164555509 0.06570169768066 28.085 > 52 53 Si 0.91221130534548 0.87827164555509 0.39903503101399 28.085 > 52 54 Si 0.91221130534548 0.87827164555509 0.73236836434732 28.085 > 52 55 Si 0.08778869465453 0.12172835444491 0.26763163565268 28.085 > 55 56 Si 0.08778869465453 0.12172835444491 0.60096496898601 28.085 > 55 57 Si 0.08778869465453 0.12172835444491 0.93429830231934 28.085 > 55 58 Si 0.58778869465452 0.37827164555509 0.23236836434732 28.085 > 58 59 Si 0.58778869465452 0.37827164555509 0.56570169768066 28.085 > 58 60 Si 0.58778869465452 0.37827164555509 0.89903503101399 28.085 > 58 61 O 0.18700054035413 0.47244236055582 0.21514914683221 15.999 > 61 62 O 0.18700054035413 0.47244236055582 0.54848248016555 15.999 > 61 63 O 0.18700054035413 0.47244236055582 0.88181581349888 15.999 > 61 64 O 0.07185535233363 0.61549573193608 0.09366097674775 15.999 > 64 65 O 0.07185535233363 0.61549573193608 0.42699431008108 15.999 > 64 66 O 0.07185535233363 0.61549573193608 0.76032764341442 15.999 > 64 67 O 0.81299945964587 0.97244236055582 0.11818418650112 15.999 > 67 68 O 0.81299945964587 0.97244236055582 0.45151751983445 15.999 > 67 69 O 0.81299945964587 0.97244236055582 0.78485085316779 15.999 > 67 70 O 0.68700054035413 0.47244236055582 0.28485085316779 15.999 > 70 71 O 0.68700054035413 0.47244236055582 0.61818418650112 15.999 > 70 72 O 0.68700054035413 0.47244236055582 0.95151751983445 15.999 > 70 73 O 0.18700054035413 0.02755763944418 0.21514914683221 15.999 > 73 74 O 0.18700054035413 0.02755763944418 0.54848248016555 15.999 > 73 75 O 0.18700054035413 0.02755763944418 0.88181581349888 15.999 > 73 76 O 0.57185535233363 0.61549573193608 0.07300568991892 15.999 > 76 77 O 0.57185535233363 0.61549573193608 0.40633902325225 15.999 > 76 78 O 0.57185535233363 0.61549573193608 0.73967235658558 15.999 > 76 79 O 0.10770746303819 0.11332191797271 0.04916302735193 15.999 > 79 80 O 0.10770746303819 0.11332191797271 0.38249636068526 15.999 > 79 81 O 0.10770746303819 0.11332191797271 0.71582969401860 15.999 > 79 82 O 0.92814464766637 0.38450426806392 0.23967235658558 15.999 > 82 83 O 0.92814464766637 0.38450426806392 0.57300568991892 15.999 > 82 84 O 0.92814464766637 0.38450426806392 0.90633902325225 15.999 > 82 85 O 0.14673018110734 0.25000000000000 0.23529728631295 15.999 > 85 86 O 0.14673018110734 0.25000000000000 0.56863061964628 15.999 > 85 87 O 0.14673018110734 0.25000000000000 0.90196395297962 15.999 > 85 88 O 0.07185535233363 0.88450426806392 0.09366097674775 15.999 > 88 89 O 0.07185535233363 0.88450426806392 0.42699431008108 15.999 > 88 90 O 0.07185535233363 0.88450426806392 0.76032764341442 15.999 > 88 91 O 0.42814464766637 0.11549573193608 0.26032764341442 15.999 > 91 92 O 0.42814464766637 0.11549573193608 0.59366097674775 15.999 > 91 93 O 0.42814464766637 0.11549573193608 0.92699431008108 15.999 > 91 94 O 0.60770746303819 0.38667808202729 0.11750363931474 15.999 > 94 95 O 0.60770746303819 0.38667808202729 0.45083697264807 15.999 > 94 96 O 0.60770746303819 0.38667808202729 0.78417030598140 15.999 > 94 97 O 0.85326981889266 0.75000000000000 0.09803604702038 15.999 > 97 98 O 0.85326981889266 0.75000000000000 0.43136938035372 15.999 > 97 99 O 0.85326981889266 0.75000000000000 0.76470271368705 15.999 > 97 100 O 0.31299945964587 0.97244236055582 0.04848248016555 15.999 > 100 101 O 0.31299945964587 0.97244236055582 0.38181581349888 15.999 > 100 102 O 0.31299945964587 0.97244236055582 0.71514914683221 15.999 > 100 103 O 0.39229253696181 0.61332191797271 0.21582969401860 15.999 > 103 104 O 0.39229253696181 0.61332191797271 0.54916302735193 15.999 > 103 105 O 0.39229253696181 0.61332191797271 0.88249636068527 15.999 > 103 106 O 0.42814464766637 0.38450426806392 0.26032764341442 15.999 > 106 107 O 0.42814464766637 0.38450426806392 0.59366097674775 15.999 > 106 108 O 0.42814464766637 0.38450426806392 0.92699431008108 15.999 > 106 109 O 0.10770746303819 0.38667808202729 0.04916302735193 15.999 > 109 110 O 0.10770746303819 0.38667808202729 0.38249636068526 15.999 > 109 111 O 0.10770746303819 0.38667808202729 0.71582969401860 15.999 > 109 112 O 0.57185535233363 0.88450426806392 0.07300568991892 15.999 > 112 113 O 0.57185535233363 0.88450426806392 0.40633902325225 15.999 > 112 114 O 0.57185535233363 0.88450426806392 0.73967235658558 15.999 > 112 115 O 0.64673018110734 0.25000000000000 0.26470271368705 15.999 > 115 116 O 0.64673018110734 0.25000000000000 0.59803604702038 15.999 > 115 117 O 0.64673018110734 0.25000000000000 0.93136938035372 15.999 > 115 118 O 0.92814464766637 0.11549573193608 0.23967235658558 15.999 > 118 119 O 0.92814464766637 0.11549573193608 0.57300568991892 15.999 > 118 120 O 0.92814464766637 0.11549573193608 0.90633902325225 15.999 > 118 121 O 0.60770746303819 0.11332191797271 0.11750363931474 15.999 > 121 122 O 0.60770746303819 0.11332191797271 0.45083697264807 15.999 > 121 123 O 0.60770746303819 0.11332191797271 0.78417030598140 15.999 > 121 124 O 0.68700054035413 0.02755763944418 0.28485085316779 15.999 > 124 125 O 0.68700054035413 0.02755763944418 0.61818418650112 15.999 > 124 126 O 0.68700054035413 0.02755763944418 0.95151751983445 15.999 > 124 127 O 0.35326981889266 0.75000000000000 0.06863061964628 15.999 > 127 128 O 0.35326981889266 0.75000000000000 0.40196395297962 15.999 > 127 129 O 0.35326981889266 0.75000000000000 0.73529728631295 15.999 > 127 130 O 0.89229253696181 0.61332191797271 0.28417030598140 15.999 > 130 131 O 0.89229253696181 0.61332191797271 0.61750363931473 15.999 > 130 132 O 0.89229253696181 0.61332191797271 0.95083697264807 15.999 > 130 133 O 0.39229253696181 0.88667808202729 0.21582969401860 15.999 > 133 134 O 0.39229253696181 0.88667808202729 0.54916302735193 15.999 > 133 135 O 0.39229253696181 0.88667808202729 0.88249636068527 15.999 > 133 136 O 0.81299945964587 0.52755763944418 0.11818418650112 15.999 > 136 137 O 0.81299945964587 0.52755763944418 0.45151751983445 15.999 > 136 138 O 0.81299945964587 0.52755763944418 0.78485085316779 15.999 > 136 139 O 0.89229253696181 0.88667808202729 0.28417030598140 15.999 > 139 140 O 0.89229253696181 0.88667808202729 0.61750363931473 15.999 > 139 141 O 0.89229253696181 0.88667808202729 0.95083697264807 15.999 > 139 142 O 0.31299945964587 0.52755763944418 0.04848248016555 15.999 > 142 143 O 0.31299945964587 0.52755763944418 0.38181581349888 15.999 > 142 144 O 0.31299945964587 0.52755763944418 0.71514914683221 15.999 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1243994 0.0000000 0.0000000 0.0000000 3.0738220 0.0000000 0.0000000 0.0000000 3.0977655 -------------------------- Born effective charges -------------------------- 1 Ba 2.8142840 -0.0000000 0.0502072 0.0000000 2.6574696 -0.0000000 -0.0338699 0.0000000 2.7800938 2 Ba 2.8142840 -0.0000000 0.0502072 0.0000000 2.6574696 -0.0000000 -0.0338699 0.0000000 2.7800938 3 Ba 2.8142840 -0.0000000 -0.0502072 0.0000000 2.6574696 -0.0000000 0.0338699 0.0000000 2.7800938 4 Ba 2.8142840 -0.0000000 -0.0502072 0.0000000 2.6574696 -0.0000000 0.0338699 0.0000000 2.7800938 5 Be 1.8653605 -0.1216218 0.0828574 0.0230158 1.9136345 0.0576945 -0.0816845 -0.1053113 1.8843818 6 Be 1.8653605 0.1216218 -0.0828574 -0.0230158 1.9136345 0.0576945 0.0816845 -0.1053113 1.8843818 7 Be 1.8653605 0.1216218 0.0828574 -0.0230158 1.9136345 -0.0576945 -0.0816845 0.1053113 1.8843818 8 Be 1.8653605 -0.1216218 -0.0828574 0.0230158 1.9136345 -0.0576945 0.0816845 0.1053113 1.8843818 9 Be 1.8653605 0.1216218 -0.0828574 -0.0230158 1.9136345 0.0576945 0.0816845 -0.1053113 1.8843818 10 Be 1.8653605 0.1216218 0.0828574 -0.0230158 1.9136345 -0.0576945 -0.0816845 0.1053113 1.8843818 11 Be 1.8653605 -0.1216218 0.0828574 0.0230158 1.9136345 0.0576945 -0.0816845 -0.1053113 1.8843818 12 Be 1.8653605 -0.1216218 -0.0828574 0.0230158 1.9136345 -0.0576945 0.0816845 0.1053113 1.8843818 13 Si 3.0408927 -0.0411743 -0.0719757 -0.0098390 3.1449189 0.0724916 -0.0257233 -0.0309603 3.0081683 14 Si 3.0408927 -0.0411743 -0.0719757 -0.0098390 3.1449189 0.0724916 -0.0257233 -0.0309603 3.0081683 15 Si 3.0408927 0.0411743 0.0719757 0.0098390 3.1449189 0.0724916 0.0257233 -0.0309603 3.0081683 16 Si 3.0408927 0.0411743 0.0719757 0.0098390 3.1449189 0.0724916 0.0257233 -0.0309603 3.0081683 17 Si 3.0408927 0.0411743 -0.0719757 0.0098390 3.1449189 -0.0724916 -0.0257233 0.0309603 3.0081683 18 Si 3.0408927 -0.0411743 0.0719757 -0.0098390 3.1449189 -0.0724916 0.0257233 0.0309603 3.0081683 19 Si 3.0408927 -0.0411743 0.0719757 -0.0098390 3.1449189 -0.0724916 0.0257233 0.0309603 3.0081683 20 Si 3.0408927 0.0411743 -0.0719757 0.0098390 3.1449189 -0.0724916 -0.0257233 0.0309603 3.0081683 21 O -1.8634749 -0.3383557 -0.0530477 -0.4370446 -1.6274757 0.3006654 0.0395862 0.2971615 -1.9338130 22 O -2.1470254 0.2906699 -0.2309363 0.2435399 -1.7328270 -0.0193648 -0.2480892 -0.0130809 -1.5452888 23 O -1.8634749 0.3383557 -0.0530477 0.4370446 -1.6274757 -0.3006654 0.0395862 -0.2971615 -1.9338130 24 O -1.8634749 -0.3383557 0.0530477 -0.4370446 -1.6274757 -0.3006654 -0.0395862 -0.2971615 -1.9338130 25 O -1.8634749 0.3383557 -0.0530477 0.4370446 -1.6274757 -0.3006654 0.0395862 -0.2971615 -1.9338130 26 O -2.1470254 0.2906699 0.2309363 0.2435399 -1.7328270 0.0193648 0.2480892 0.0130809 -1.5452888 27 O -1.5870876 0.0841696 -0.1913904 0.0937152 -1.7267186 0.2555912 -0.2277717 0.2631313 -2.0978272 28 O -2.1470254 0.2906699 -0.2309363 0.2435399 -1.7328270 -0.0193648 -0.2480892 -0.0130809 -1.5452888 29 O -1.4316147 -0.0000000 0.1566483 0.0000000 -2.6005337 -0.0000000 0.1540338 0.0000000 -1.4113358 30 O -2.1470254 -0.2906699 -0.2309363 -0.2435399 -1.7328270 0.0193648 -0.2480892 0.0130809 -1.5452888 31 O -2.1470254 -0.2906699 0.2309363 -0.2435399 -1.7328270 -0.0193648 0.2480892 -0.0130809 -1.5452888 32 O -1.5870876 -0.0841696 0.1913904 -0.0937152 -1.7267186 0.2555912 0.2277717 0.2631313 -2.0978272 33 O -1.4316147 -0.0000000 0.1566483 0.0000000 -2.6005337 -0.0000000 0.1540338 0.0000000 -1.4113358 34 O -1.8634749 0.3383557 0.0530477 0.4370446 -1.6274757 0.3006654 -0.0395862 0.2971615 -1.9338130 35 O -1.5870876 -0.0841696 0.1913904 -0.0937152 -1.7267186 0.2555912 0.2277717 0.2631313 -2.0978272 36 O -2.1470254 0.2906699 0.2309363 0.2435399 -1.7328270 0.0193648 0.2480892 0.0130809 -1.5452888 37 O -1.5870876 -0.0841696 -0.1913904 -0.0937152 -1.7267186 -0.2555912 -0.2277717 -0.2631313 -2.0978272 38 O -2.1470254 -0.2906699 0.2309363 -0.2435399 -1.7328270 -0.0193648 0.2480892 -0.0130809 -1.5452888 39 O -1.4316147 -0.0000000 -0.1566483 0.0000000 -2.6005337 -0.0000000 -0.1540338 0.0000000 -1.4113358 40 O -2.1470254 -0.2906699 -0.2309363 -0.2435399 -1.7328270 0.0193648 -0.2480892 0.0130809 -1.5452888 41 O -1.5870876 0.0841696 0.1913904 0.0937152 -1.7267186 -0.2555912 0.2277717 -0.2631313 -2.0978272 42 O -1.8634749 0.3383557 0.0530477 0.4370446 -1.6274757 0.3006654 -0.0395862 0.2971615 -1.9338130 43 O -1.4316147 -0.0000000 -0.1566483 0.0000000 -2.6005337 -0.0000000 -0.1540338 0.0000000 -1.4113358 44 O -1.5870876 -0.0841696 -0.1913904 -0.0937152 -1.7267186 -0.2555912 -0.2277717 -0.2631313 -2.0978272 45 O -1.5870876 0.0841696 0.1913904 0.0937152 -1.7267186 -0.2555912 0.2277717 -0.2631313 -2.0978272 46 O -1.8634749 -0.3383557 -0.0530477 -0.4370446 -1.6274757 0.3006654 0.0395862 0.2971615 -1.9338130 47 O -1.5870876 0.0841696 -0.1913904 0.0937152 -1.7267186 0.2555912 -0.2277717 0.2631313 -2.0978272 48 O -1.8634749 -0.3383557 0.0530477 -0.4370446 -1.6274757 -0.3006654 -0.0395862 -0.2971615 -1.9338130 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 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 1.777 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.230 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 9.155 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.313 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 10.941 ( 0.000 0.000 0.000) 0.000 11.007 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.792 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.950 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.509 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 14.644 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.085 ( 0.000 0.000 0.000) 0.000 15.204 ( 0.000 0.000 0.000) 0.000 15.468 ( 0.000 0.000 0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 15.894 ( 0.000 0.000 0.000) 0.000 16.148 ( 0.000 0.000 0.000) 0.000 16.286 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 17.019 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 18.295 ( 0.000 0.000 0.000) 0.000 19.377 ( 0.000 0.000 0.000) 0.000 19.513 ( 0.000 0.000 0.000) 0.000 19.602 ( 0.000 0.000 0.000) 0.000 19.719 ( 0.000 0.000 0.000) 0.000 19.759 ( 0.000 0.000 0.000) 0.000 20.009 ( 0.000 0.000 0.000) 0.000 20.217 ( 0.000 0.000 0.000) 0.000 20.260 ( 0.000 0.000 0.000) 0.000 21.017 ( 0.000 0.000 0.000) 0.000 21.267 ( 0.000 0.000 0.000) 0.000 21.437 ( 0.000 0.000 0.000) 0.000 21.540 ( 0.000 0.000 0.000) 0.000 21.612 ( 0.000 0.000 0.000) 0.000 21.729 ( 0.000 0.000 0.000) 0.000 22.086 ( 0.000 0.000 0.000) 0.000 22.176 ( 0.000 0.000 0.000) 0.000 22.435 ( 0.000 0.000 0.000) 0.000 22.544 ( 0.000 0.000 0.000) 0.000 22.580 ( 0.000 0.000 0.000) 0.000 22.860 ( 0.000 0.000 0.000) 0.000 23.040 ( 0.000 0.000 0.000) 0.000 23.369 ( 0.000 0.000 0.000) 0.000 23.614 ( 0.000 0.000 0.000) 0.000 23.799 ( 0.000 0.000 0.000) 0.000 23.985 ( 0.000 0.000 0.000) 0.000 24.049 ( 0.000 0.000 0.000) 0.000 24.087 ( 0.000 0.000 0.000) 0.000 25.012 ( 0.000 0.000 0.000) 0.000 26.146 ( 0.000 0.000 0.000) 0.000 26.238 ( 0.000 0.000 0.000) 0.000 26.508 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 27.488 ( 0.000 0.000 0.000) 0.000 27.529 ( 0.000 0.000 0.000) 0.000 27.619 ( 0.000 0.000 0.000) 0.000 27.701 ( 0.000 0.000 0.000) 0.000 28.002 ( 0.000 0.000 0.000) 0.000 28.018 ( 0.000 0.000 0.000) 0.000 28.040 ( 0.000 0.000 0.000) 0.000 28.119 ( 0.000 0.000 0.000) 0.000 28.291 ( 0.000 0.000 0.000) 0.000 28.333 ( 0.000 0.000 0.000) 0.000 28.544 ( 0.000 0.000 0.000) 0.000 28.631 ( 0.000 0.000 0.000) 0.000 28.830 ( 0.000 0.000 0.000) 0.000 28.979 ( 0.000 0.000 0.000) 0.000 28.982 ( 0.000 0.000 0.000) 0.000 29.086 ( 0.000 0.000 0.000) 0.000 29.209 ( 0.000 0.000 0.000) 0.000 29.429 ( 0.000 0.000 0.000) 0.000 29.605 ( 0.000 0.000 0.000) 0.000 29.744 ( 0.000 0.000 0.000) 0.000 29.866 ( 0.000 0.000 0.000) 0.000 30.918 ( 0.000 0.000 0.000) 0.000 31.632 ( 0.000 0.000 0.000) 0.000 32.474 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 35.744 0.000 0.000) 35.744 0.803 ( 37.920 0.000 0.000) 37.920 1.400 ( 63.252 0.000 0.000) 63.252 1.788 ( 0.428 0.000 0.000) 0.428 2.038 ( 3.346 0.000 0.000) 3.346 2.152 ( 0.502 0.000 0.000) 0.502 2.161 ( 6.098 0.000 0.000) 6.098 2.248 ( -4.938 0.000 0.000) 4.938 2.440 ( 3.535 0.000 0.000) 3.535 2.670 ( -3.567 0.000 0.000) 3.567 2.739 ( -1.201 0.000 0.000) 1.201 2.844 ( -5.134 0.000 0.000) 5.134 3.036 ( -4.153 0.000 0.000) 4.153 3.199 ( -1.685 0.000 0.000) 1.685 3.424 ( 11.959 0.000 0.000) 11.959 3.489 ( 3.398 0.000 0.000) 3.398 3.680 ( -17.258 0.000 0.000) 17.258 3.698 ( -23.104 0.000 0.000) 23.104 3.855 ( 27.558 0.000 0.000) 27.558 4.207 ( 7.161 0.000 0.000) 7.161 4.465 ( 8.428 0.000 0.000) 8.428 4.537 ( 20.683 0.000 0.000) 20.683 4.754 ( 4.310 0.000 0.000) 4.310 4.916 ( 7.461 0.000 0.000) 7.461 4.991 ( 2.274 0.000 0.000) 2.274 5.150 ( -5.009 0.000 0.000) 5.009 5.412 ( -1.902 0.000 0.000) 1.902 5.469 ( -14.034 0.000 0.000) 14.034 5.716 ( -8.991 0.000 0.000) 8.991 5.938 ( -21.392 0.000 0.000) 21.392 6.187 ( -9.857 0.000 0.000) 9.857 6.417 ( -30.691 0.000 0.000) 30.691 6.474 ( 29.988 0.000 0.000) 29.988 6.742 ( 5.858 0.000 0.000) 5.858 6.776 ( 1.657 0.000 0.000) 1.657 7.015 ( 1.220 0.000 0.000) 1.220 7.700 ( 7.633 0.000 0.000) 7.633 7.939 ( -15.798 0.000 0.000) 15.798 8.083 ( 5.292 0.000 0.000) 5.292 8.429 ( -16.980 0.000 0.000) 16.980 8.493 ( 7.904 0.000 0.000) 7.904 8.615 ( 20.625 0.000 0.000) 20.625 8.693 ( 2.350 0.000 0.000) 2.350 8.966 ( -30.265 0.000 0.000) 30.265 9.023 ( -0.244 0.000 0.000) 0.244 9.158 ( -8.254 0.000 0.000) 8.254 9.660 ( 23.984 0.000 0.000) 23.984 9.695 ( -9.671 0.000 0.000) 9.671 9.919 ( -2.047 0.000 0.000) 2.047 10.146 ( -16.988 0.000 0.000) 16.988 10.243 ( -4.565 0.000 0.000) 4.565 10.284 ( 14.958 0.000 0.000) 14.958 10.393 ( -1.320 0.000 0.000) 1.320 10.907 ( 2.988 0.000 0.000) 2.988 10.908 ( -4.084 0.000 0.000) 4.084 10.966 ( -5.729 0.000 0.000) 5.729 11.134 ( 9.238 0.000 0.000) 9.238 11.209 ( 4.963 0.000 0.000) 4.963 11.720 ( -13.491 0.000 0.000) 13.491 11.767 ( -2.425 0.000 0.000) 2.425 11.781 ( -1.400 0.000 0.000) 1.400 11.969 ( -11.952 0.000 0.000) 11.952 12.434 ( -0.832 0.000 0.000) 0.832 12.512 ( 21.212 0.000 0.000) 21.212 12.646 ( 4.090 0.000 0.000) 4.090 12.742 ( -4.502 0.000 0.000) 4.502 12.867 ( -0.104 0.000 0.000) 0.104 13.150 ( 1.010 0.000 0.000) 1.010 13.279 ( -14.048 0.000 0.000) 14.048 13.618 ( 13.257 0.000 0.000) 13.257 13.774 ( 0.825 0.000 0.000) 0.825 13.854 ( 10.734 0.000 0.000) 10.734 13.989 ( 14.294 0.000 0.000) 14.294 14.634 ( -1.639 0.000 0.000) 1.639 14.946 ( -12.508 0.000 0.000) 12.508 15.145 ( 6.016 0.000 0.000) 6.016 15.249 ( 9.763 0.000 0.000) 9.763 15.274 ( -14.874 0.000 0.000) 14.874 15.686 ( 0.105 0.000 0.000) 0.105 15.868 ( -2.628 0.000 0.000) 2.628 16.055 ( 2.203 0.000 0.000) 2.203 16.084 ( -17.627 0.000 0.000) 17.627 16.219 ( 28.487 0.000 0.000) 28.487 16.334 ( 17.507 0.000 0.000) 17.507 16.498 ( 0.576 0.000 0.000) 0.576 16.990 ( -2.713 0.000 0.000) 2.713 17.811 ( -15.758 0.000 0.000) 15.758 18.355 ( -24.921 0.000 0.000) 24.921 19.442 ( 6.381 0.000 0.000) 6.381 19.561 ( 3.686 0.000 0.000) 3.686 19.625 ( 1.943 0.000 0.000) 1.943 19.715 ( -0.416 0.000 0.000) 0.416 19.740 ( -1.701 0.000 0.000) 1.701 20.025 ( 1.483 0.000 0.000) 1.483 20.158 ( -5.790 0.000 0.000) 5.790 20.254 ( -8.298 0.000 0.000) 8.298 21.049 ( 2.390 0.000 0.000) 2.390 21.351 ( -6.549 0.000 0.000) 6.549 21.424 ( 14.223 0.000 0.000) 14.223 21.659 ( 3.153 0.000 0.000) 3.153 21.749 ( 2.350 0.000 0.000) 2.350 22.008 ( -4.757 0.000 0.000) 4.757 22.095 ( -6.502 0.000 0.000) 6.502 22.485 ( 3.726 0.000 0.000) 3.726 22.504 ( -7.335 0.000 0.000) 7.335 22.684 ( 10.641 0.000 0.000) 10.641 22.730 ( -7.709 0.000 0.000) 7.709 23.045 ( -0.041 0.000 0.000) 0.041 23.438 ( 6.580 0.000 0.000) 6.580 23.652 ( 1.499 0.000 0.000) 1.499 23.788 ( 11.083 0.000 0.000) 11.083 23.907 ( -5.615 0.000 0.000) 5.615 23.930 ( 16.565 0.000 0.000) 16.565 23.989 ( -5.778 0.000 0.000) 5.778 24.114 ( 0.630 0.000 0.000) 0.630 24.934 ( -7.546 0.000 0.000) 7.546 26.168 ( 2.369 0.000 0.000) 2.369 26.295 ( 5.407 0.000 0.000) 5.407 26.465 ( -3.955 0.000 0.000) 3.955 26.884 ( -7.773 0.000 0.000) 7.773 27.500 ( 1.513 0.000 0.000) 1.513 27.559 ( 2.633 0.000 0.000) 2.633 27.633 ( 1.119 0.000 0.000) 1.119 27.680 ( -1.958 0.000 0.000) 1.958 28.002 ( -0.059 0.000 0.000) 0.059 28.007 ( -0.877 0.000 0.000) 0.877 28.052 ( 1.014 0.000 0.000) 1.014 28.110 ( -0.781 0.000 0.000) 0.781 28.307 ( 1.446 0.000 0.000) 1.446 28.418 ( -1.197 0.000 0.000) 1.197 28.551 ( 0.802 0.000 0.000) 0.802 28.707 ( 7.149 0.000 0.000) 7.149 28.771 ( -5.288 0.000 0.000) 5.288 28.987 ( 0.624 0.000 0.000) 0.624 29.003 ( 1.592 0.000 0.000) 1.592 29.072 ( -1.273 0.000 0.000) 1.273 29.172 ( -10.287 0.000 0.000) 10.287 29.188 ( -2.023 0.000 0.000) 2.023 29.878 ( 1.774 0.000 0.000) 1.774 30.211 ( 30.022 0.000 0.000) 30.022 30.731 ( -16.973 0.000 0.000) 16.973 31.540 ( -9.039 0.000 0.000) 9.039 32.388 ( 0.771 0.000 0.000) 0.771 32.464 ( -0.914 0.000 0.000) 0.914 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 25.667 0.000 0.000) 25.667 1.507 ( 30.043 0.000 0.000) 30.043 1.740 ( -7.330 0.000 0.000) 7.330 1.972 ( -13.832 0.000 0.000) 13.832 2.146 ( 0.903 0.000 0.000) 0.903 2.159 ( -0.059 0.000 0.000) 0.059 2.329 ( 9.911 0.000 0.000) 9.911 2.481 ( 34.237 0.000 0.000) 34.237 2.536 ( -9.453 0.000 0.000) 9.453 2.551 ( 8.842 0.000 0.000) 8.842 2.678 ( -5.283 0.000 0.000) 5.283 2.824 ( 5.600 0.000 0.000) 5.600 2.931 ( -8.804 0.000 0.000) 8.804 3.120 ( -22.715 0.000 0.000) 22.715 3.156 ( 0.233 0.000 0.000) 0.233 3.323 ( -15.157 0.000 0.000) 15.157 3.663 ( 8.373 0.000 0.000) 8.373 3.686 ( 5.440 0.000 0.000) 5.440 4.475 ( 24.192 0.000 0.000) 24.192 4.485 ( 19.946 0.000 0.000) 19.946 4.578 ( 3.593 0.000 0.000) 3.593 4.777 ( -4.710 0.000 0.000) 4.710 4.933 ( 14.165 0.000 0.000) 14.165 5.013 ( 1.105 0.000 0.000) 1.105 5.131 ( 11.836 0.000 0.000) 11.836 5.220 ( 23.035 0.000 0.000) 23.035 5.304 ( -10.400 0.000 0.000) 10.400 5.376 ( -30.137 0.000 0.000) 30.137 5.377 ( 3.587 0.000 0.000) 3.587 5.462 ( -12.002 0.000 0.000) 12.002 5.714 ( -32.897 0.000 0.000) 32.897 5.827 ( -25.433 0.000 0.000) 25.433 6.767 ( -0.375 0.000 0.000) 0.375 6.787 ( -1.384 0.000 0.000) 1.384 7.171 ( 38.000 0.000 0.000) 38.000 7.278 ( 24.175 0.000 0.000) 24.175 7.795 ( -0.301 0.000 0.000) 0.301 7.805 ( 1.686 0.000 0.000) 1.686 7.878 ( -31.449 0.000 0.000) 31.449 7.960 ( -34.168 0.000 0.000) 34.168 8.421 ( 9.355 0.000 0.000) 9.355 8.670 ( -7.606 0.000 0.000) 7.606 8.775 ( 7.808 0.000 0.000) 7.808 8.942 ( -10.200 0.000 0.000) 10.200 9.166 ( 27.284 0.000 0.000) 27.284 9.171 ( 11.993 0.000 0.000) 11.993 9.445 ( -13.832 0.000 0.000) 13.832 9.709 ( -24.984 0.000 0.000) 24.984 9.910 ( 1.766 0.000 0.000) 1.766 9.962 ( 0.143 0.000 0.000) 0.143 10.334 ( 18.138 0.000 0.000) 18.138 10.402 ( 2.497 0.000 0.000) 2.497 10.448 ( 0.651 0.000 0.000) 0.651 10.717 ( -15.366 0.000 0.000) 15.366 10.907 ( 1.102 0.000 0.000) 1.102 10.942 ( -0.277 0.000 0.000) 0.277 11.282 ( 4.178 0.000 0.000) 4.178 11.295 ( 2.501 0.000 0.000) 2.501 11.559 ( -1.108 0.000 0.000) 1.108 11.687 ( -12.458 0.000 0.000) 12.458 11.726 ( -0.588 0.000 0.000) 0.588 11.745 ( -1.815 0.000 0.000) 1.815 12.502 ( 6.364 0.000 0.000) 6.364 12.633 ( -5.961 0.000 0.000) 5.961 12.756 ( 7.671 0.000 0.000) 7.671 12.898 ( 13.053 0.000 0.000) 13.053 12.941 ( 4.390 0.000 0.000) 4.390 12.982 ( -14.013 0.000 0.000) 14.013 13.186 ( 5.147 0.000 0.000) 5.147 13.441 ( -15.479 0.000 0.000) 15.479 14.097 ( 11.358 0.000 0.000) 11.358 14.175 ( 22.414 0.000 0.000) 22.414 14.211 ( 3.584 0.000 0.000) 3.584 14.524 ( -10.741 0.000 0.000) 10.741 14.778 ( -0.213 0.000 0.000) 0.213 14.960 ( -14.570 0.000 0.000) 14.570 15.325 ( 11.886 0.000 0.000) 11.886 15.540 ( 17.528 0.000 0.000) 17.528 15.626 ( -13.947 0.000 0.000) 13.947 15.757 ( -3.508 0.000 0.000) 3.508 15.798 ( -3.700 0.000 0.000) 3.700 15.897 ( -15.431 0.000 0.000) 15.431 16.625 ( 9.494 0.000 0.000) 9.494 16.741 ( 6.942 0.000 0.000) 6.942 16.805 ( 27.084 0.000 0.000) 27.084 17.039 ( 21.822 0.000 0.000) 21.822 17.367 ( -26.343 0.000 0.000) 26.343 17.716 ( -35.420 0.000 0.000) 35.420 19.634 ( 3.306 0.000 0.000) 3.306 19.636 ( 12.488 0.000 0.000) 12.488 19.667 ( 1.981 0.000 0.000) 1.981 19.695 ( -2.651 0.000 0.000) 2.651 19.700 ( -1.146 0.000 0.000) 1.146 19.929 ( -15.094 0.000 0.000) 15.094 20.066 ( 2.474 0.000 0.000) 2.474 20.128 ( -3.848 0.000 0.000) 3.848 21.111 ( 3.968 0.000 0.000) 3.968 21.215 ( -6.191 0.000 0.000) 6.191 21.696 ( 6.920 0.000 0.000) 6.920 21.714 ( 1.942 0.000 0.000) 1.942 21.825 ( 5.132 0.000 0.000) 5.132 21.952 ( -7.008 0.000 0.000) 7.008 22.014 ( 8.834 0.000 0.000) 8.834 22.287 ( -13.609 0.000 0.000) 13.609 22.557 ( 3.136 0.000 0.000) 3.136 22.620 ( -3.537 0.000 0.000) 3.537 22.889 ( 8.475 0.000 0.000) 8.475 23.013 ( -3.604 0.000 0.000) 3.604 23.617 ( 10.300 0.000 0.000) 10.300 23.703 ( 3.510 0.000 0.000) 3.510 23.793 ( -5.226 0.000 0.000) 5.226 23.827 ( -9.632 0.000 0.000) 9.632 23.958 ( 7.383 0.000 0.000) 7.383 24.080 ( -4.077 0.000 0.000) 4.077 24.350 ( 20.416 0.000 0.000) 20.416 24.709 ( -14.472 0.000 0.000) 14.472 26.245 ( 5.096 0.000 0.000) 5.096 26.361 ( -5.838 0.000 0.000) 5.838 26.449 ( 9.554 0.000 0.000) 9.554 26.673 ( -11.741 0.000 0.000) 11.741 27.554 ( 3.484 0.000 0.000) 3.484 27.616 ( 2.473 0.000 0.000) 2.473 27.626 ( -3.267 0.000 0.000) 3.267 27.646 ( -0.284 0.000 0.000) 0.284 27.993 ( -0.253 0.000 0.000) 0.253 27.997 ( -0.418 0.000 0.000) 0.418 28.074 ( 1.022 0.000 0.000) 1.022 28.093 ( -0.883 0.000 0.000) 0.883 28.344 ( 2.042 0.000 0.000) 2.042 28.386 ( -1.934 0.000 0.000) 1.934 28.582 ( 2.365 0.000 0.000) 2.365 28.656 ( -5.012 0.000 0.000) 5.012 28.881 ( 8.109 0.000 0.000) 8.109 28.983 ( -1.874 0.000 0.000) 1.874 29.024 ( 0.377 0.000 0.000) 0.377 29.042 ( -1.418 0.000 0.000) 1.418 29.091 ( 0.865 0.000 0.000) 0.865 29.136 ( -2.754 0.000 0.000) 2.754 29.986 ( 10.314 0.000 0.000) 10.314 30.317 ( -20.840 0.000 0.000) 20.840 30.802 ( 26.578 0.000 0.000) 26.578 31.262 ( -18.258 0.000 0.000) 18.258 32.410 ( 1.355 0.000 0.000) 1.355 32.439 ( -1.432 0.000 0.000) 1.432 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 35.256 0.000) 35.256 0.832 ( 0.000 37.342 0.000) 37.342 1.293 ( 0.000 54.947 0.000) 54.947 1.842 ( 0.000 5.579 0.000) 5.579 1.939 ( 0.000 -6.956 0.000) 6.956 1.956 ( 0.000 -14.166 0.000) 14.166 2.101 ( 0.000 -3.988 0.000) 3.988 2.267 ( 0.000 -0.366 0.000) 0.366 2.340 ( 0.000 -4.867 0.000) 4.867 2.761 ( 0.000 1.385 0.000) 1.385 2.785 ( 0.000 -13.234 0.000) 13.234 3.021 ( 0.000 -7.828 0.000) 7.828 3.079 ( 0.000 0.207 0.000) 0.207 3.206 ( 0.000 -0.346 0.000) 0.346 3.264 ( 0.000 -7.284 0.000) 7.284 3.308 ( 0.000 -12.818 0.000) 12.818 3.317 ( 0.000 2.820 0.000) 2.820 3.556 ( 0.000 -8.513 0.000) 8.513 4.096 ( 0.000 0.319 0.000) 0.319 4.238 ( 0.000 22.607 0.000) 22.607 4.251 ( 0.000 -1.061 0.000) 1.061 4.458 ( 0.000 9.069 0.000) 9.069 4.761 ( 0.000 -4.042 0.000) 4.042 5.011 ( 0.000 21.061 0.000) 21.061 5.133 ( 0.000 13.948 0.000) 13.948 5.209 ( 0.000 -2.133 0.000) 2.133 5.236 ( 0.000 -8.148 0.000) 8.148 5.785 ( 0.000 -2.175 0.000) 2.175 5.801 ( 0.000 0.641 0.000) 0.641 5.851 ( 0.000 -13.726 0.000) 13.726 6.200 ( 0.000 -26.650 0.000) 26.650 6.293 ( 0.000 -17.489 0.000) 17.489 6.343 ( 0.000 4.181 0.000) 4.181 6.643 ( 0.000 16.574 0.000) 16.574 6.801 ( 0.000 1.446 0.000) 1.446 7.177 ( 0.000 12.162 0.000) 12.162 7.559 ( 0.000 -3.436 0.000) 3.436 7.917 ( 0.000 -21.010 0.000) 21.010 8.081 ( 0.000 3.691 0.000) 3.691 8.260 ( 0.000 -4.935 0.000) 4.935 8.491 ( 0.000 -1.800 0.000) 1.800 8.527 ( 0.000 2.363 0.000) 2.363 9.067 ( 0.000 -3.343 0.000) 3.343 9.097 ( 0.000 23.096 0.000) 23.096 9.185 ( 0.000 -6.156 0.000) 6.156 9.231 ( 0.000 -4.166 0.000) 4.166 9.584 ( 0.000 11.667 0.000) 11.667 9.784 ( 0.000 3.172 0.000) 3.172 10.088 ( 0.000 20.457 0.000) 20.457 10.121 ( 0.000 5.823 0.000) 5.823 10.162 ( 0.000 -8.745 0.000) 8.745 10.468 ( 0.000 3.265 0.000) 3.265 10.504 ( 0.000 7.222 0.000) 7.222 10.667 ( 0.000 -15.122 0.000) 15.122 10.809 ( 0.000 -5.720 0.000) 5.720 10.924 ( 0.000 -3.080 0.000) 3.080 11.117 ( 0.000 -3.561 0.000) 3.561 11.365 ( 0.000 -31.667 0.000) 31.667 11.462 ( 0.000 22.052 0.000) 22.052 11.736 ( 0.000 -5.892 0.000) 5.892 11.915 ( 0.000 10.588 0.000) 10.588 12.180 ( 0.000 1.713 0.000) 1.713 12.251 ( 0.000 -17.047 0.000) 17.047 12.566 ( 0.000 -17.072 0.000) 17.072 12.639 ( 0.000 24.397 0.000) 24.397 12.894 ( 0.000 0.006 0.000) 0.006 12.954 ( 0.000 14.961 0.000) 14.961 13.278 ( 0.000 -4.724 0.000) 4.724 13.467 ( 0.000 -3.857 0.000) 3.857 13.517 ( 0.000 3.342 0.000) 3.342 13.612 ( 0.000 -10.672 0.000) 10.672 13.708 ( 0.000 -5.774 0.000) 5.774 14.083 ( 0.000 17.663 0.000) 17.663 14.852 ( 0.000 12.053 0.000) 12.053 14.858 ( 0.000 -16.747 0.000) 16.747 15.131 ( 0.000 6.126 0.000) 6.126 15.366 ( 0.000 12.961 0.000) 12.961 15.534 ( 0.000 5.041 0.000) 5.041 15.539 ( 0.000 -13.523 0.000) 13.523 15.652 ( 0.000 -12.527 0.000) 12.527 15.700 ( 0.000 -1.974 0.000) 1.974 15.992 ( 0.000 -9.693 0.000) 9.693 16.232 ( 0.000 17.118 0.000) 17.118 16.359 ( 0.000 5.138 0.000) 5.138 16.507 ( 0.000 -1.426 0.000) 1.426 16.911 ( 0.000 -9.863 0.000) 9.863 18.030 ( 0.000 4.182 0.000) 4.182 18.251 ( 0.000 -3.932 0.000) 3.932 19.468 ( 0.000 7.823 0.000) 7.823 19.522 ( 0.000 0.890 0.000) 0.890 19.586 ( 0.000 -1.417 0.000) 1.417 19.718 ( 0.000 -0.239 0.000) 0.239 19.757 ( 0.000 -0.086 0.000) 0.086 19.918 ( 0.000 -7.626 0.000) 7.626 20.219 ( 0.000 0.244 0.000) 0.244 20.248 ( 0.000 -0.893 0.000) 0.893 21.280 ( 0.000 3.697 0.000) 3.697 21.467 ( 0.000 3.587 0.000) 3.587 21.491 ( 0.000 -4.190 0.000) 4.190 21.545 ( 0.000 8.821 0.000) 8.821 21.658 ( 0.000 3.817 0.000) 3.817 21.678 ( 0.000 -4.326 0.000) 4.326 22.106 ( 0.000 -5.309 0.000) 5.309 22.170 ( 0.000 7.179 0.000) 7.179 22.240 ( 0.000 -11.363 0.000) 11.363 22.604 ( 0.000 -11.512 0.000) 11.512 22.794 ( 0.000 12.994 0.000) 12.994 23.081 ( 0.000 2.184 0.000) 2.184 23.103 ( 0.000 11.636 0.000) 11.636 23.435 ( 0.000 5.391 0.000) 5.391 23.541 ( 0.000 -6.125 0.000) 6.125 23.742 ( 0.000 -5.103 0.000) 5.103 23.916 ( 0.000 -5.311 0.000) 5.311 23.936 ( 0.000 -5.838 0.000) 5.838 24.252 ( 0.000 10.978 0.000) 10.978 24.855 ( 0.000 -12.994 0.000) 12.994 26.192 ( 0.000 3.718 0.000) 3.718 26.267 ( 0.000 1.669 0.000) 1.669 27.087 ( 0.000 11.150 0.000) 11.150 27.504 ( 0.000 1.440 0.000) 1.440 27.526 ( 0.000 -0.029 0.000) 0.029 27.593 ( 0.000 -2.160 0.000) 2.160 27.623 ( 0.000 -4.966 0.000) 4.966 27.801 ( 0.000 -16.790 0.000) 16.790 28.063 ( 0.000 2.030 0.000) 2.030 28.107 ( 0.000 6.995 0.000) 6.995 28.154 ( 0.000 3.107 0.000) 3.107 28.232 ( 0.000 -2.889 0.000) 2.889 28.304 ( 0.000 -2.547 0.000) 2.547 28.529 ( 0.000 -8.106 0.000) 8.106 28.679 ( 0.000 10.163 0.000) 10.163 28.845 ( 0.000 1.378 0.000) 1.378 28.939 ( 0.000 -2.310 0.000) 2.310 29.076 ( 0.000 -4.453 0.000) 4.453 29.153 ( 0.000 11.799 0.000) 11.799 29.265 ( 0.000 7.504 0.000) 7.504 29.479 ( 0.000 4.361 0.000) 4.361 29.549 ( 0.000 -5.039 0.000) 5.039 29.706 ( 0.000 -3.658 0.000) 3.658 29.739 ( 0.000 -10.398 0.000) 10.398 30.953 ( 0.000 3.064 0.000) 3.064 31.119 ( 0.000 -3.002 0.000) 3.002 31.791 ( 0.000 13.177 0.000) 13.177 32.374 ( 0.000 -9.050 0.000) 9.050 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 25.786 22.636 0.000) 34.312 1.163 ( 21.797 26.150 0.000) 34.043 1.777 ( 37.765 27.579 0.000) 46.763 1.851 ( 0.556 5.258 0.000) 5.287 2.006 ( 5.684 -2.801 0.000) 6.337 2.020 ( 5.372 -11.919 0.000) 13.074 2.128 ( 2.779 -3.695 0.000) 4.623 2.241 ( -2.482 0.528 0.000) 2.537 2.350 ( 1.653 -6.267 0.000) 6.481 2.742 ( -4.254 -4.068 0.000) 5.886 2.753 ( -0.926 1.418 0.000) 1.694 2.965 ( -5.053 -6.155 0.000) 7.964 3.003 ( -2.753 14.005 0.000) 14.273 3.198 ( -1.007 0.110 0.000) 1.013 3.344 ( 7.702 -9.753 0.000) 12.428 3.388 ( 8.943 -4.276 0.000) 9.913 3.575 ( 0.586 -8.129 0.000) 8.150 3.657 ( 23.954 -13.028 0.000) 27.268 3.804 ( -20.473 9.892 0.000) 22.738 4.216 ( 0.446 11.174 0.000) 11.183 4.313 ( 0.529 -10.366 0.000) 10.379 4.570 ( 13.749 3.481 0.000) 14.183 4.807 ( 2.739 -8.221 0.000) 8.666 5.027 ( -1.491 10.941 0.000) 11.042 5.084 ( -0.783 8.478 0.000) 8.514 5.118 ( -8.766 -7.438 0.000) 11.497 5.339 ( 6.668 5.739 0.000) 8.797 5.612 ( -4.563 10.756 0.000) 11.684 5.765 ( 2.881 2.587 0.000) 3.872 6.021 ( -24.430 1.753 0.000) 24.493 6.232 ( -13.647 -5.875 0.000) 14.858 6.271 ( 26.985 -15.382 0.000) 31.061 6.420 ( 14.336 -19.316 0.000) 24.054 6.533 ( -16.711 -0.899 0.000) 16.735 6.667 ( -3.745 11.309 0.000) 11.913 7.160 ( 0.026 11.105 0.000) 11.105 7.583 ( 2.389 -7.109 0.000) 7.499 7.725 ( -14.091 -16.814 0.000) 21.938 8.147 ( 4.506 3.199 0.000) 5.526 8.332 ( -12.034 -7.204 0.000) 14.025 8.452 ( 2.170 -3.008 0.000) 3.709 8.601 ( 12.276 -3.282 0.000) 12.707 8.943 ( -8.213 5.230 0.000) 9.737 9.055 ( -5.021 7.794 0.000) 9.271 9.150 ( -2.731 8.771 0.000) 9.186 9.188 ( -9.218 4.907 0.000) 10.443 9.570 ( 14.761 -2.012 0.000) 14.898 9.678 ( -12.850 0.004 0.000) 12.850 9.966 ( -6.284 16.076 0.000) 17.261 10.052 ( -5.234 -14.808 0.000) 15.706 10.228 ( -19.270 1.952 0.000) 19.369 10.415 ( 17.284 9.157 0.000) 19.560 10.569 ( 2.713 10.221 0.000) 10.575 10.795 ( 7.834 -8.925 0.000) 11.875 10.841 ( -7.503 -8.474 0.000) 11.319 10.885 ( 3.541 -2.752 0.000) 4.485 11.207 ( 6.655 -1.342 0.000) 6.789 11.311 ( -1.201 -16.705 0.000) 16.748 11.434 ( -1.813 20.071 0.000) 20.152 11.825 ( 7.550 -11.721 0.000) 13.942 11.855 ( -6.082 8.010 0.000) 10.057 12.203 ( -0.456 12.411 0.000) 12.419 12.214 ( 2.786 -9.497 0.000) 9.897 12.494 ( -6.421 -16.713 0.000) 17.904 12.535 ( -7.591 17.686 0.000) 19.247 12.724 ( -7.599 -8.503 0.000) 11.404 13.130 ( 11.653 11.137 0.000) 16.119 13.216 ( -11.004 -8.615 0.000) 13.975 13.301 ( -7.956 8.405 0.000) 11.574 13.674 ( 18.258 5.043 0.000) 18.942 13.769 ( 11.551 -7.908 0.000) 13.999 13.927 ( 11.379 -0.646 0.000) 11.397 14.024 ( -1.781 14.945 0.000) 15.051 14.742 ( -6.519 12.128 0.000) 13.769 14.810 ( -5.900 -14.369 0.000) 15.533 15.167 ( 4.014 4.303 0.000) 5.884 15.263 ( 2.548 3.423 0.000) 4.268 15.306 ( -14.223 -0.457 0.000) 14.230 15.661 ( 0.974 -2.222 0.000) 2.426 15.806 ( 3.694 -11.892 0.000) 12.453 15.994 ( 11.241 3.507 0.000) 11.776 16.144 ( 19.118 -5.686 0.000) 19.945 16.219 ( -10.196 5.430 0.000) 11.552 16.344 ( 15.372 5.648 0.000) 16.377 16.392 ( -5.257 -4.968 0.000) 7.233 16.883 ( -2.218 -9.529 0.000) 9.784 17.859 ( -16.357 4.154 0.000) 16.876 18.157 ( -16.605 -10.548 0.000) 19.672 19.517 ( 4.715 6.403 0.000) 7.952 19.563 ( 3.237 0.303 0.000) 3.251 19.608 ( 1.885 -1.351 0.000) 2.320 19.712 ( -0.687 -0.593 0.000) 0.908 19.743 ( -0.975 0.588 0.000) 1.139 19.942 ( 2.231 -6.891 0.000) 7.243 20.155 ( -5.928 0.183 0.000) 5.930 20.213 ( -5.421 -2.280 0.000) 5.881 21.196 ( -2.653 9.305 0.000) 9.676 21.434 ( 10.266 -0.105 0.000) 10.266 21.450 ( -6.827 8.156 0.000) 10.636 21.699 ( 1.612 2.164 0.000) 2.699 21.748 ( 8.483 1.317 0.000) 8.585 22.027 ( -5.036 -3.518 0.000) 6.143 22.083 ( -2.856 5.275 0.000) 5.998 22.297 ( 33.789 -24.877 0.000) 41.959 22.305 ( 3.995 -10.202 0.000) 10.956 22.552 ( -3.811 -11.843 0.000) 12.441 22.716 ( -7.338 12.571 0.000) 14.556 23.076 ( -1.066 0.782 0.000) 1.322 23.307 ( 16.112 2.026 0.000) 16.239 23.518 ( 8.084 6.169 0.000) 10.169 23.648 ( 8.506 -6.549 0.000) 10.735 23.829 ( -5.237 -3.658 0.000) 6.388 23.838 ( 9.972 -5.646 0.000) 11.460 23.978 ( 0.568 -5.566 0.000) 5.595 24.185 ( -6.292 9.291 0.000) 11.221 24.769 ( -8.405 -13.369 0.000) 15.792 26.227 ( 3.777 4.684 0.000) 6.017 26.330 ( 6.089 1.830 0.000) 6.358 26.963 ( -12.163 10.325 0.000) 15.954 27.396 ( -29.234 4.586 0.000) 29.592 27.532 ( -0.144 1.943 0.000) 1.949 27.558 ( 2.788 0.223 0.000) 2.797 27.640 ( 1.224 -2.958 0.000) 3.202 27.656 ( -1.548 -1.776 0.000) 2.356 28.039 ( -1.270 3.222 0.000) 3.463 28.126 ( 0.920 4.809 0.000) 4.897 28.143 ( -0.708 3.026 0.000) 3.108 28.191 ( -9.318 10.948 0.000) 14.377 28.265 ( 3.055 -1.589 0.000) 3.443 28.549 ( 1.619 -5.920 0.000) 6.137 28.571 ( -20.512 21.534 0.000) 29.740 28.713 ( 3.707 6.248 0.000) 7.265 28.793 ( -5.829 1.740 0.000) 6.083 28.956 ( -0.816 -0.505 0.000) 0.960 29.059 ( -1.534 -4.352 0.000) 4.614 29.104 ( -7.688 1.838 0.000) 7.905 29.253 ( -1.060 7.908 0.000) 7.979 29.258 ( -5.112 14.357 0.000) 15.240 29.744 ( 0.906 -10.948 0.000) 10.985 30.061 ( 14.681 -12.392 0.000) 19.212 30.893 ( -0.675 13.326 0.000) 13.343 31.713 ( -7.738 14.251 0.000) 16.216 31.841 ( 25.960 -32.857 0.000) 41.875 32.352 ( -2.204 -10.150 0.000) 10.387 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 16.969 13.494 0.000) 21.681 1.615 ( 22.237 9.561 0.000) 24.205 1.832 ( -2.913 7.855 0.000) 8.378 2.011 ( -9.893 3.246 0.000) 10.412 2.113 ( 2.744 -5.620 0.000) 6.254 2.128 ( 1.078 -2.556 0.000) 2.774 2.224 ( 6.042 -7.853 0.000) 9.908 2.293 ( 1.134 -10.917 0.000) 10.975 2.596 ( 17.465 5.304 0.000) 18.253 2.672 ( 1.111 4.863 0.000) 4.988 2.707 ( -3.818 2.096 0.000) 4.356 2.840 ( -6.914 -4.253 0.000) 8.118 3.021 ( 6.560 14.361 0.000) 15.788 3.173 ( -1.868 3.789 0.000) 4.225 3.402 ( -13.873 18.169 0.000) 22.860 3.410 ( -10.031 8.951 0.000) 13.444 3.541 ( 8.017 -11.114 0.000) 13.704 3.583 ( 5.346 -7.699 0.000) 9.374 4.173 ( 14.627 -20.975 0.000) 25.571 4.275 ( -3.003 -19.384 0.000) 19.615 4.443 ( 23.547 1.231 0.000) 23.579 4.876 ( 18.443 -4.855 0.000) 19.071 4.943 ( -10.483 7.359 0.000) 12.808 4.984 ( 3.531 -6.066 0.000) 7.019 5.007 ( -7.881 -4.660 0.000) 9.155 5.052 ( 17.709 -5.614 0.000) 18.578 5.408 ( -13.362 3.826 0.000) 13.899 5.476 ( -17.437 6.463 0.000) 18.596 5.581 ( -0.436 20.496 0.000) 20.501 5.683 ( -26.953 5.997 0.000) 27.612 5.902 ( 10.709 20.820 0.000) 23.413 6.222 ( -18.278 22.517 0.000) 29.001 6.587 ( 2.220 -15.021 0.000) 15.185 6.589 ( -0.696 -11.589 0.000) 11.610 6.924 ( 34.233 -18.104 0.000) 38.725 7.331 ( 19.206 3.549 0.000) 19.531 7.485 ( -13.801 -23.097 0.000) 26.906 7.644 ( 3.804 -9.483 0.000) 10.218 7.828 ( -27.104 -2.931 0.000) 27.262 7.910 ( -25.923 -4.728 0.000) 26.351 8.633 ( 17.050 13.906 0.000) 22.002 8.818 ( 6.651 4.095 0.000) 7.811 8.922 ( -8.028 0.186 0.000) 8.030 9.014 ( -11.562 21.619 0.000) 24.516 9.057 ( 15.546 -2.759 0.000) 15.789 9.272 ( 16.396 -2.107 0.000) 16.531 9.340 ( -16.033 -9.423 0.000) 18.597 9.751 ( -25.706 -2.933 0.000) 25.873 9.804 ( 4.579 -4.877 0.000) 6.690 9.876 ( -3.884 8.377 0.000) 9.234 10.133 ( 14.817 -13.458 0.000) 20.016 10.475 ( -14.849 -9.551 0.000) 17.656 10.674 ( 7.057 11.106 0.000) 13.158 10.718 ( -0.026 9.120 0.000) 9.120 10.902 ( 3.068 -1.160 0.000) 3.280 10.936 ( 0.231 -0.738 0.000) 0.773 11.358 ( 3.601 3.251 0.000) 4.852 11.375 ( 10.935 1.533 0.000) 11.042 11.406 ( -1.319 12.093 0.000) 12.165 11.645 ( -13.786 6.624 0.000) 15.295 12.016 ( 10.328 -9.202 0.000) 13.833 12.157 ( -2.752 18.915 0.000) 19.114 12.290 ( -0.463 10.953 0.000) 10.963 12.335 ( -7.583 -12.468 0.000) 14.593 12.470 ( 5.601 -14.205 0.000) 15.269 12.631 ( -5.841 -21.559 0.000) 22.336 13.050 ( -2.055 -4.172 0.000) 4.650 13.118 ( -6.299 -2.586 0.000) 6.809 13.437 ( 14.102 20.808 0.000) 25.137 13.714 ( -11.800 17.152 0.000) 20.819 14.018 ( 11.566 -6.928 0.000) 13.483 14.155 ( 1.935 -5.050 0.000) 5.408 14.202 ( 19.981 6.045 0.000) 20.875 14.557 ( -13.058 6.365 0.000) 14.527 14.748 ( 4.869 -6.041 0.000) 7.759 14.995 ( -15.578 -0.615 0.000) 15.590 15.334 ( 11.697 1.408 0.000) 11.782 15.442 ( 12.343 -3.064 0.000) 12.718 15.623 ( -15.636 -2.252 0.000) 15.797 15.642 ( -4.567 -2.939 0.000) 5.431 16.005 ( -2.301 12.981 0.000) 13.183 16.034 ( -6.943 7.898 0.000) 10.516 16.458 ( 9.005 -12.644 0.000) 15.523 16.567 ( 5.720 -12.939 0.000) 14.146 16.819 ( 27.044 0.543 0.000) 27.050 16.982 ( 22.897 -4.875 0.000) 23.411 17.397 ( -27.479 2.672 0.000) 27.609 17.621 ( -32.460 -6.934 0.000) 33.192 19.627 ( 2.804 -0.504 0.000) 2.849 19.632 ( 4.157 0.322 0.000) 4.169 19.646 ( 1.453 -1.482 0.000) 2.075 19.682 ( -2.185 -1.071 0.000) 2.434 19.760 ( 4.835 4.582 0.000) 6.661 19.959 ( -12.039 2.552 0.000) 12.306 20.004 ( 3.780 -5.141 0.000) 6.381 20.094 ( -5.117 -2.781 0.000) 5.824 21.212 ( 3.271 8.232 0.000) 8.858 21.311 ( -6.197 8.069 0.000) 10.174 21.596 ( 5.657 -7.350 0.000) 9.275 21.686 ( -2.972 -4.884 0.000) 5.717 21.947 ( 2.216 9.473 0.000) 9.729 21.956 ( -1.434 4.215 0.000) 4.452 22.117 ( 13.507 8.886 0.000) 16.168 22.348 ( -2.203 -3.687 0.000) 4.295 22.478 ( -1.859 -10.343 0.000) 10.509 22.523 ( -9.234 5.969 0.000) 10.996 22.800 ( 15.481 -12.522 0.000) 19.912 23.009 ( -6.104 -3.509 0.000) 7.040 23.564 ( 8.900 -2.323 0.000) 9.198 23.713 ( -6.248 -2.052 0.000) 6.577 23.740 ( 11.565 6.394 0.000) 13.215 23.838 ( 9.243 -8.227 0.000) 12.374 23.931 ( -5.780 0.498 0.000) 5.801 24.017 ( -9.172 0.825 0.000) 9.209 24.150 ( 19.059 -10.710 0.000) 21.862 24.520 ( -15.798 -13.755 0.000) 20.947 26.361 ( 9.797 7.793 0.000) 12.518 26.515 ( 12.132 3.537 0.000) 12.637 26.637 ( -16.981 11.620 0.000) 20.576 26.835 ( -20.164 9.636 0.000) 22.348 27.577 ( 2.761 1.799 0.000) 3.295 27.607 ( 0.742 0.567 0.000) 0.934 27.658 ( 0.784 0.513 0.000) 0.936 27.667 ( 0.457 0.088 0.000) 0.465 28.030 ( 0.675 4.447 0.000) 4.498 28.071 ( -3.389 8.144 0.000) 8.821 28.137 ( 0.029 3.550 0.000) 3.550 28.137 ( 0.186 3.786 0.000) 3.791 28.336 ( 3.483 0.738 0.000) 3.560 28.406 ( -3.716 3.962 0.000) 5.431 28.588 ( 2.488 -1.585 0.000) 2.950 28.666 ( -5.374 0.182 0.000) 5.377 28.829 ( 6.594 -1.157 0.000) 6.695 28.929 ( -2.714 -2.399 0.000) 3.623 29.015 ( -1.287 -2.690 0.000) 2.982 29.024 ( -1.584 -3.842 0.000) 4.156 29.222 ( -0.197 12.155 0.000) 12.157 29.231 ( -0.905 9.256 0.000) 9.300 29.814 ( 7.085 -13.731 0.000) 15.451 30.034 ( -12.095 -19.553 0.000) 22.991 31.113 ( 18.634 21.937 0.000) 28.783 31.476 ( -15.328 17.442 0.000) 23.220 32.152 ( 8.901 -21.221 0.000) 23.012 32.283 ( -4.608 -13.796 0.000) 14.545 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 -29.697 0.000) 29.697 1.474 ( 0.000 29.697 0.000) 29.697 1.545 ( 0.000 -27.123 0.000) 27.123 1.545 ( 0.000 27.123 0.000) 27.123 1.983 ( 0.000 -6.703 0.000) 6.703 1.983 ( 0.000 6.703 0.000) 6.703 2.254 ( 0.000 -9.520 0.000) 9.520 2.254 ( 0.000 9.520 0.000) 9.520 2.308 ( 0.000 -23.360 0.000) 23.360 2.308 ( 0.000 23.360 0.000) 23.360 2.835 ( 0.000 -6.366 0.000) 6.366 2.835 ( 0.000 6.366 0.000) 6.366 3.118 ( 0.000 -4.498 0.000) 4.498 3.118 ( 0.000 4.498 0.000) 4.498 3.204 ( 0.000 -0.442 0.000) 0.442 3.204 ( 0.000 0.442 0.000) 0.442 3.404 ( 0.000 -5.489 0.000) 5.489 3.404 ( 0.000 5.489 0.000) 5.489 4.166 ( 0.000 -5.440 0.000) 5.440 4.166 ( 0.000 5.440 0.000) 5.440 4.639 ( 0.000 -7.289 0.000) 7.289 4.639 ( 0.000 7.289 0.000) 7.289 4.822 ( 0.000 -29.845 0.000) 29.845 4.822 ( 0.000 29.845 0.000) 29.845 5.176 ( 0.000 -0.560 0.000) 0.560 5.176 ( 0.000 0.560 0.000) 0.560 5.707 ( 0.000 -31.241 0.000) 31.241 5.707 ( 0.000 31.241 0.000) 31.241 5.712 ( 0.000 -2.711 0.000) 2.711 5.712 ( 0.000 2.711 0.000) 2.711 5.868 ( 0.000 -6.890 0.000) 6.890 5.868 ( 0.000 6.890 0.000) 6.890 6.527 ( 0.000 -11.966 0.000) 11.966 6.527 ( 0.000 11.966 0.000) 11.966 7.357 ( 0.000 -30.834 0.000) 30.834 7.357 ( 0.000 30.834 0.000) 30.834 7.425 ( 0.000 -9.404 0.000) 9.404 7.425 ( 0.000 9.404 0.000) 9.404 8.169 ( 0.000 -3.992 0.000) 3.992 8.169 ( 0.000 3.992 0.000) 3.992 8.480 ( 0.000 -2.244 0.000) 2.244 8.480 ( 0.000 2.244 0.000) 2.244 9.119 ( 0.000 -5.759 0.000) 5.759 9.119 ( 0.000 5.759 0.000) 5.759 9.170 ( 0.000 -4.286 0.000) 4.286 9.170 ( 0.000 4.286 0.000) 4.286 9.866 ( 0.000 -13.863 0.000) 13.863 9.866 ( 0.000 13.863 0.000) 13.863 10.370 ( 0.000 -12.727 0.000) 12.727 10.370 ( 0.000 12.727 0.000) 12.727 10.373 ( 0.000 -31.226 0.000) 31.226 10.373 ( 0.000 31.226 0.000) 31.226 10.541 ( 0.000 -5.072 0.000) 5.072 10.541 ( 0.000 5.072 0.000) 5.072 10.575 ( 0.000 -6.954 0.000) 6.954 10.575 ( 0.000 6.954 0.000) 6.954 11.035 ( 0.000 -0.667 0.000) 0.667 11.035 ( 0.000 0.667 0.000) 0.667 11.880 ( 0.000 -15.514 0.000) 15.514 11.880 ( 0.000 15.514 0.000) 15.514 11.939 ( 0.000 -20.747 0.000) 20.747 11.939 ( 0.000 20.747 0.000) 20.747 12.207 ( 0.000 -15.620 0.000) 15.620 12.207 ( 0.000 15.620 0.000) 15.620 13.079 ( 0.000 -10.690 0.000) 10.690 13.079 ( 0.000 10.690 0.000) 10.690 13.079 ( 0.000 -12.970 0.000) 12.970 13.079 ( 0.000 12.970 0.000) 12.970 13.390 ( 0.000 -1.419 0.000) 1.419 13.390 ( 0.000 1.419 0.000) 1.419 13.594 ( 0.000 -4.126 0.000) 4.126 13.594 ( 0.000 4.126 0.000) 4.126 14.477 ( 0.000 -18.293 0.000) 18.293 14.477 ( 0.000 18.293 0.000) 18.293 15.190 ( 0.000 -17.642 0.000) 17.642 15.190 ( 0.000 17.642 0.000) 17.642 15.353 ( 0.000 -13.696 0.000) 13.696 15.353 ( 0.000 13.696 0.000) 13.696 15.638 ( 0.000 -4.032 0.000) 4.032 15.638 ( 0.000 4.032 0.000) 4.032 15.693 ( 0.000 -16.151 0.000) 16.151 15.693 ( 0.000 16.151 0.000) 16.151 16.456 ( 0.000 -3.484 0.000) 3.484 16.456 ( 0.000 3.484 0.000) 3.484 16.618 ( 0.000 -16.861 0.000) 16.861 16.618 ( 0.000 16.861 0.000) 16.861 18.142 ( 0.000 -5.737 0.000) 5.737 18.142 ( 0.000 5.737 0.000) 5.737 19.550 ( 0.000 -1.652 0.000) 1.652 19.550 ( 0.000 1.652 0.000) 1.652 19.660 ( 0.000 -7.774 0.000) 7.774 19.660 ( 0.000 7.774 0.000) 7.774 19.770 ( 0.000 -2.693 0.000) 2.693 19.770 ( 0.000 2.693 0.000) 2.693 20.229 ( 0.000 -0.727 0.000) 0.727 20.229 ( 0.000 0.727 0.000) 0.727 21.382 ( 0.000 -5.422 0.000) 5.422 21.382 ( 0.000 5.422 0.000) 5.422 21.568 ( 0.000 -5.426 0.000) 5.426 21.568 ( 0.000 5.426 0.000) 5.426 21.706 ( 0.000 -2.537 0.000) 2.537 21.706 ( 0.000 2.537 0.000) 2.537 22.048 ( 0.000 -3.375 0.000) 3.375 22.048 ( 0.000 3.375 0.000) 3.375 22.365 ( 0.000 -10.544 0.000) 10.544 22.365 ( 0.000 10.544 0.000) 10.544 23.038 ( 0.000 -7.636 0.000) 7.636 23.038 ( 0.000 7.636 0.000) 7.636 23.343 ( 0.000 -10.395 0.000) 10.395 23.343 ( 0.000 10.395 0.000) 10.395 23.599 ( 0.000 -7.620 0.000) 7.620 23.599 ( 0.000 7.620 0.000) 7.620 23.849 ( 0.000 -0.835 0.000) 0.835 23.849 ( 0.000 0.835 0.000) 0.835 24.538 ( 0.000 -15.128 0.000) 15.128 24.538 ( 0.000 15.128 0.000) 15.128 26.265 ( 0.000 -2.197 0.000) 2.197 26.265 ( 0.000 2.197 0.000) 2.197 27.407 ( 0.000 -17.597 0.000) 17.597 27.407 ( 0.000 17.597 0.000) 17.597 27.544 ( 0.000 -2.111 0.000) 2.111 27.544 ( 0.000 2.111 0.000) 2.111 27.548 ( 0.000 -2.605 0.000) 2.605 27.548 ( 0.000 2.605 0.000) 2.605 28.120 ( 0.000 -3.102 0.000) 3.102 28.120 ( 0.000 3.102 0.000) 3.102 28.233 ( 0.000 -3.867 0.000) 3.867 28.233 ( 0.000 3.867 0.000) 3.867 28.333 ( 0.000 -9.382 0.000) 9.382 28.333 ( 0.000 9.382 0.000) 9.382 28.886 ( 0.000 -2.393 0.000) 2.393 28.886 ( 0.000 2.393 0.000) 2.393 28.908 ( 0.000 -10.168 0.000) 10.168 28.908 ( 0.000 10.168 0.000) 10.168 29.393 ( 0.000 -9.519 0.000) 9.519 29.393 ( 0.000 9.519 0.000) 9.519 29.487 ( 0.000 -12.004 0.000) 12.004 29.487 ( 0.000 12.004 0.000) 12.004 29.596 ( 0.000 -5.970 0.000) 5.970 29.596 ( 0.000 5.970 0.000) 5.970 31.036 ( 0.000 -4.314 0.000) 4.314 31.036 ( 0.000 4.314 0.000) 4.314 32.109 ( 0.000 -14.837 0.000) 14.837 32.109 ( 0.000 14.837 0.000) 14.837 ======================= Grid point 12 (8/54) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 12.117 -23.728 0.000) 26.643 1.614 ( 12.117 23.728 0.000) 26.643 1.688 ( 11.084 -20.975 0.000) 23.724 1.688 ( 11.084 20.975 0.000) 23.724 2.007 ( 2.131 -7.089 0.000) 7.402 2.007 ( 2.131 7.089 0.000) 7.402 2.216 ( -2.305 -3.902 0.000) 4.532 2.216 ( -2.305 3.902 0.000) 4.532 2.497 ( 13.411 -19.014 0.000) 23.268 2.497 ( 13.411 19.014 0.000) 23.268 2.820 ( -1.801 -5.472 0.000) 5.761 2.820 ( -1.801 5.472 0.000) 5.761 3.218 ( 2.101 -2.394 0.000) 3.185 3.218 ( 2.101 2.394 0.000) 3.185 3.240 ( 6.354 -8.610 0.000) 10.701 3.240 ( 6.354 8.610 0.000) 10.701 3.486 ( 12.034 -0.857 0.000) 12.065 3.486 ( 12.034 0.857 0.000) 12.065 4.056 ( -9.720 -12.761 0.000) 16.041 4.056 ( -9.720 12.761 0.000) 16.041 4.589 ( -6.195 -12.381 0.000) 13.845 4.589 ( -6.195 12.381 0.000) 13.845 4.760 ( 1.265 -17.466 0.000) 17.512 4.760 ( 1.265 17.466 0.000) 17.512 5.137 ( -3.676 -3.255 0.000) 4.910 5.137 ( -3.676 3.255 0.000) 4.910 5.763 ( 1.929 -23.841 0.000) 23.919 5.763 ( 1.929 23.841 0.000) 23.919 5.786 ( 9.818 -2.267 0.000) 10.076 5.786 ( 9.818 2.267 0.000) 10.076 6.127 ( 18.586 -6.475 0.000) 19.682 6.127 ( 18.586 6.475 0.000) 19.682 6.272 ( -20.195 -11.294 0.000) 23.139 6.272 ( -20.195 11.294 0.000) 23.139 7.242 ( -12.075 -27.773 0.000) 30.284 7.242 ( -12.075 27.773 0.000) 30.284 7.403 ( -1.256 -10.321 0.000) 10.397 7.403 ( -1.256 10.321 0.000) 10.397 8.203 ( -6.390 -3.640 0.000) 7.354 8.203 ( -6.390 3.640 0.000) 7.354 8.480 ( 8.554 -5.524 0.000) 10.183 8.480 ( 8.554 5.524 0.000) 10.183 9.118 ( -2.197 -8.385 0.000) 8.668 9.118 ( -2.197 8.385 0.000) 8.668 9.119 ( -4.442 -6.488 0.000) 7.863 9.119 ( -4.442 6.488 0.000) 7.863 9.727 ( -2.093 -13.720 0.000) 13.879 9.727 ( -2.093 13.720 0.000) 13.879 10.078 ( -23.581 -17.973 0.000) 29.649 10.078 ( -23.581 17.973 0.000) 29.649 10.390 ( -7.945 -21.954 0.000) 23.347 10.390 ( -7.945 21.954 0.000) 23.347 10.609 ( 14.873 -8.753 0.000) 17.258 10.609 ( 14.873 8.753 0.000) 17.258 10.783 ( 8.260 -6.404 0.000) 10.451 10.783 ( 8.260 6.404 0.000) 10.451 11.156 ( 11.231 -2.124 0.000) 11.430 11.156 ( 11.231 2.124 0.000) 11.430 11.878 ( 1.573 -14.473 0.000) 14.558 11.878 ( 1.573 14.473 0.000) 14.558 11.881 ( -5.531 -17.260 0.000) 18.124 11.881 ( -5.531 17.260 0.000) 18.124 12.220 ( 0.389 -9.343 0.000) 9.351 12.220 ( 0.389 9.343 0.000) 9.351 12.896 ( -12.291 -18.486 0.000) 22.199 12.896 ( -12.291 18.486 0.000) 22.199 12.995 ( -6.963 -18.398 0.000) 19.671 12.995 ( -6.963 18.398 0.000) 19.671 13.539 ( 12.061 -12.354 0.000) 17.265 13.539 ( 12.061 12.354 0.000) 17.265 13.818 ( 16.083 -6.975 0.000) 17.531 13.818 ( 16.083 6.975 0.000) 17.531 14.431 ( -3.736 -19.455 0.000) 19.810 14.431 ( -3.736 19.455 0.000) 19.810 15.095 ( -9.602 -17.232 0.000) 19.727 15.095 ( -9.602 17.232 0.000) 19.727 15.282 ( -0.098 -3.566 0.000) 3.568 15.282 ( -0.098 3.566 0.000) 3.568 15.663 ( 1.790 -3.276 0.000) 3.733 15.663 ( 1.790 3.276 0.000) 3.733 16.017 ( 22.598 -3.839 0.000) 22.922 16.017 ( 22.598 3.839 0.000) 22.922 16.312 ( -10.195 -3.480 0.000) 10.773 16.312 ( -10.195 3.480 0.000) 10.773 16.611 ( 0.931 -14.885 0.000) 14.914 16.611 ( 0.931 14.885 0.000) 14.914 17.977 ( -16.880 -6.758 0.000) 18.182 17.977 ( -16.880 6.758 0.000) 18.182 19.579 ( 2.289 -1.157 0.000) 2.565 19.579 ( 2.289 1.157 0.000) 2.565 19.662 ( 0.015 -5.140 0.000) 5.140 19.662 ( 0.015 5.140 0.000) 5.140 19.792 ( 2.406 -5.058 0.000) 5.601 19.792 ( 2.406 5.058 0.000) 5.601 20.173 ( -5.549 -1.428 0.000) 5.730 20.173 ( -5.549 1.428 0.000) 5.730 21.368 ( 0.424 -6.146 0.000) 6.161 21.368 ( 0.424 6.146 0.000) 6.161 21.639 ( -5.645 -7.832 0.000) 9.654 21.639 ( -5.645 7.832 0.000) 9.654 21.876 ( 24.344 -11.326 0.000) 26.849 21.876 ( 24.344 11.326 0.000) 26.849 22.085 ( 2.816 -8.765 0.000) 9.206 22.085 ( 2.816 8.765 0.000) 9.206 22.306 ( -3.747 -10.735 0.000) 11.370 22.306 ( -3.747 10.735 0.000) 11.370 22.981 ( -5.662 -10.093 0.000) 11.573 22.981 ( -5.662 10.093 0.000) 11.573 23.470 ( 9.511 -9.352 0.000) 13.338 23.470 ( 9.511 9.352 0.000) 13.338 23.683 ( 8.646 -8.214 0.000) 11.925 23.683 ( 8.646 8.214 0.000) 11.925 23.838 ( -1.291 -4.987 0.000) 5.151 23.838 ( -1.291 4.987 0.000) 5.151 24.453 ( -8.081 -14.647 0.000) 16.729 24.453 ( -8.081 14.647 0.000) 16.729 26.321 ( 5.621 -3.011 0.000) 6.377 26.321 ( 5.621 3.011 0.000) 6.377 27.232 ( -16.307 -13.255 0.000) 21.014 27.232 ( -16.307 13.255 0.000) 21.014 27.575 ( 2.405 -3.029 0.000) 3.868 27.575 ( 2.405 3.029 0.000) 3.868 27.582 ( 3.166 -2.084 0.000) 3.791 27.582 ( 3.166 2.084 0.000) 3.791 28.120 ( 0.206 -3.760 0.000) 3.766 28.120 ( 0.206 3.760 0.000) 3.766 28.211 ( -1.787 -2.862 0.000) 3.374 28.211 ( -1.787 2.862 0.000) 3.374 28.367 ( 3.148 -8.982 0.000) 9.518 28.367 ( 3.148 8.982 0.000) 9.518 28.812 ( -9.602 -1.844 0.000) 9.777 28.812 ( -9.602 1.844 0.000) 9.777 28.902 ( -0.419 -9.265 0.000) 9.275 28.902 ( -0.419 9.265 0.000) 9.275 29.042 ( -12.384 -6.122 0.000) 13.815 29.042 ( -12.384 6.122 0.000) 13.815 29.481 ( -0.324 -12.364 0.000) 12.368 29.481 ( -0.324 12.364 0.000) 12.368 29.707 ( -1.892 -20.743 0.000) 20.829 29.707 ( -1.892 20.743 0.000) 20.829 31.264 ( 18.177 -21.464 0.000) 28.126 31.264 ( 18.177 21.464 0.000) 28.126 32.058 ( -5.036 -16.261 0.000) 17.023 32.058 ( -5.036 16.261 0.000) 17.023 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 9.553 -11.861 0.000) 15.229 1.866 ( 9.553 11.861 0.000) 15.229 1.888 ( 6.615 -13.967 0.000) 15.454 1.888 ( 6.615 13.967 0.000) 15.454 2.056 ( 2.660 -8.199 0.000) 8.620 2.056 ( 2.660 8.199 0.000) 8.620 2.144 ( -4.925 -4.566 0.000) 6.716 2.144 ( -4.925 4.566 0.000) 6.716 2.693 ( 4.670 -2.615 0.000) 5.353 2.693 ( 4.670 2.615 0.000) 5.353 2.760 ( -3.397 -3.140 0.000) 4.625 2.760 ( -3.397 3.140 0.000) 4.625 3.306 ( 5.476 -8.835 0.000) 10.394 3.306 ( 5.476 8.835 0.000) 10.394 3.329 ( 3.809 -13.758 0.000) 14.275 3.329 ( 3.809 13.758 0.000) 14.275 3.731 ( 4.055 -18.727 0.000) 19.161 3.731 ( 4.055 18.727 0.000) 19.161 3.836 ( -9.756 -20.915 0.000) 23.078 3.836 ( -9.756 20.915 0.000) 23.078 4.654 ( 19.265 -14.931 0.000) 24.374 4.654 ( 19.265 14.931 0.000) 24.374 4.946 ( 15.200 -2.316 0.000) 15.375 4.946 ( 15.200 2.316 0.000) 15.375 5.010 ( -10.019 -1.587 0.000) 10.144 5.010 ( -10.019 1.587 0.000) 10.144 5.455 ( -30.828 -4.032 0.000) 31.091 5.455 ( -30.828 4.032 0.000) 31.091 5.996 ( 7.908 -14.831 0.000) 16.808 5.996 ( 7.908 14.831 0.000) 16.808 6.063 ( -0.353 -21.756 0.000) 21.759 6.063 ( -0.353 21.756 0.000) 21.759 6.539 ( 20.684 -14.993 0.000) 25.546 6.539 ( 20.684 14.993 0.000) 25.546 6.926 ( -17.394 -27.910 0.000) 32.887 6.926 ( -17.394 27.910 0.000) 32.887 7.453 ( 8.909 -7.979 0.000) 11.959 7.453 ( 8.909 7.979 0.000) 11.959 7.814 ( -24.020 -2.492 0.000) 24.149 7.814 ( -24.020 2.492 0.000) 24.149 8.863 ( 19.272 -4.975 0.000) 19.903 8.863 ( 19.272 4.975 0.000) 19.903 9.022 ( -4.345 -9.246 0.000) 10.216 9.022 ( -4.345 9.246 0.000) 10.216 9.091 ( 6.030 -9.080 0.000) 10.900 9.091 ( 6.030 9.080 0.000) 10.900 9.536 ( -28.064 -16.602 0.000) 32.607 9.536 ( -28.064 16.602 0.000) 32.607 9.876 ( 13.198 -9.117 0.000) 16.041 9.876 ( 13.198 9.117 0.000) 16.041 10.163 ( -13.635 -15.248 0.000) 20.456 10.163 ( -13.635 15.248 0.000) 20.456 10.837 ( 6.845 -4.930 0.000) 8.436 10.837 ( 6.845 4.930 0.000) 8.436 10.887 ( 1.671 -4.591 0.000) 4.886 10.887 ( 1.671 4.591 0.000) 4.886 11.438 ( 14.882 -5.590 0.000) 15.898 11.438 ( 14.882 5.590 0.000) 15.898 11.712 ( -11.194 -11.494 0.000) 16.045 11.712 ( -11.194 11.494 0.000) 16.045 11.981 ( 8.202 -16.298 0.000) 18.246 11.981 ( 8.202 16.298 0.000) 18.246 12.160 ( -7.245 -15.859 0.000) 17.435 12.160 ( -7.245 15.859 0.000) 17.435 12.743 ( -0.659 -22.081 0.000) 22.091 12.743 ( -0.659 22.081 0.000) 22.091 12.835 ( -7.681 -21.389 0.000) 22.726 12.835 ( -7.681 21.389 0.000) 22.726 13.803 ( 12.757 -13.240 0.000) 18.386 13.803 ( 12.757 13.240 0.000) 18.386 13.999 ( -3.231 -9.611 0.000) 10.140 13.999 ( -3.231 9.611 0.000) 10.140 14.481 ( 12.884 -16.536 0.000) 20.963 14.481 ( 12.884 16.536 0.000) 20.963 14.818 ( -16.654 -14.310 0.000) 21.958 14.818 ( -16.654 14.310 0.000) 21.958 15.396 ( 9.955 -2.914 0.000) 10.372 15.396 ( 9.955 2.914 0.000) 10.372 15.611 ( -8.493 -1.774 0.000) 8.677 15.611 ( -8.493 1.774 0.000) 8.677 16.210 ( 1.743 -9.408 0.000) 9.568 16.210 ( 1.743 9.408 0.000) 9.568 16.278 ( -0.405 -12.927 0.000) 12.933 16.278 ( -0.405 12.927 0.000) 12.933 16.869 ( 26.777 -4.502 0.000) 27.153 16.869 ( 26.777 4.502 0.000) 27.153 17.483 ( -29.711 -5.407 0.000) 30.199 17.483 ( -29.711 5.407 0.000) 30.199 19.624 ( 1.892 -0.389 0.000) 1.931 19.624 ( 1.892 0.389 0.000) 1.931 19.653 ( -0.969 -1.424 0.000) 1.722 19.653 ( -0.969 1.424 0.000) 1.722 19.877 ( 5.968 -6.092 0.000) 8.528 19.877 ( 5.968 6.092 0.000) 8.528 20.025 ( -8.034 -3.389 0.000) 8.720 20.025 ( -8.034 3.389 0.000) 8.720 21.411 ( 3.751 -9.505 0.000) 10.218 21.411 ( 3.751 9.505 0.000) 10.218 21.513 ( -6.008 -9.795 0.000) 11.491 21.513 ( -6.008 9.795 0.000) 11.491 22.140 ( 2.463 -11.155 0.000) 11.424 22.140 ( 2.463 11.155 0.000) 11.424 22.181 ( -0.578 -10.401 0.000) 10.417 22.181 ( -0.578 10.401 0.000) 10.417 22.445 ( 20.565 -15.106 0.000) 25.517 22.445 ( 20.565 15.106 0.000) 25.517 22.797 ( -12.883 -14.461 0.000) 19.367 22.797 ( -12.883 14.461 0.000) 19.367 23.650 ( 7.880 -7.994 0.000) 11.225 23.650 ( 7.880 7.994 0.000) 11.225 23.781 ( -4.650 -7.549 0.000) 8.867 23.781 ( -4.650 7.549 0.000) 8.867 23.933 ( 14.456 -9.955 0.000) 17.552 23.933 ( 14.456 9.955 0.000) 17.552 24.226 ( -13.538 -12.883 0.000) 18.688 24.226 ( -13.538 12.883 0.000) 18.688 26.505 ( 12.713 -4.553 0.000) 13.504 26.505 ( 12.713 4.553 0.000) 13.504 26.838 ( -19.477 -6.976 0.000) 20.689 26.838 ( -19.477 6.976 0.000) 20.689 27.626 ( 2.026 -2.726 0.000) 3.397 27.626 ( 2.026 2.726 0.000) 3.397 27.636 ( 1.348 -1.793 0.000) 2.243 27.636 ( 1.348 1.793 0.000) 2.243 28.138 ( 1.524 -3.761 0.000) 4.058 28.138 ( 1.524 3.761 0.000) 4.058 28.174 ( -1.809 -1.752 0.000) 2.518 28.174 ( -1.809 1.752 0.000) 2.518 28.456 ( 5.494 -8.902 0.000) 10.460 28.456 ( 5.494 8.902 0.000) 10.460 28.595 ( -8.641 -8.374 0.000) 12.033 28.595 ( -8.641 8.374 0.000) 12.033 28.903 ( 0.743 -6.315 0.000) 6.358 28.903 ( 0.743 6.315 0.000) 6.358 28.936 ( -2.402 -3.317 0.000) 4.095 28.936 ( -2.402 3.317 0.000) 4.095 29.493 ( 2.179 -14.614 0.000) 14.776 29.493 ( 2.179 14.614 0.000) 14.776 29.587 ( -6.828 -20.754 0.000) 21.849 29.587 ( -6.828 20.754 0.000) 21.849 31.630 ( 16.165 -25.499 0.000) 30.191 31.630 ( 16.165 25.499 0.000) 30.191 31.902 ( -10.440 -20.403 0.000) 22.919 31.902 ( -10.440 20.403 0.000) 22.919 ======================= Grid point 25 (10/54) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 0.000 33.372) 33.372 0.771 ( 0.000 0.000 38.435) 38.435 1.260 ( 0.000 0.000 61.591) 61.591 1.792 ( 0.000 0.000 1.451) 1.451 2.027 ( 0.000 0.000 3.423) 3.423 2.093 ( 0.000 0.000 -0.484) 0.484 2.198 ( 0.000 0.000 4.847) 4.847 2.283 ( 0.000 0.000 1.416) 1.416 2.429 ( 0.000 0.000 2.380) 2.380 2.701 ( 0.000 0.000 -0.127) 0.127 2.825 ( 0.000 0.000 -9.378) 9.378 2.858 ( 0.000 0.000 -4.651) 4.651 3.028 ( 0.000 0.000 -4.514) 4.514 3.129 ( 0.000 0.000 3.799) 3.799 3.478 ( 0.000 0.000 19.727) 19.727 3.668 ( 0.000 0.000 12.758) 12.758 3.729 ( 0.000 0.000 26.515) 26.515 3.947 ( 0.000 0.000 5.545) 5.545 4.178 ( 0.000 0.000 8.390) 8.390 4.286 ( 0.000 0.000 1.027) 1.027 4.349 ( 0.000 0.000 24.111) 24.111 4.367 ( 0.000 0.000 11.546) 11.546 4.600 ( 0.000 0.000 -6.243) 6.243 4.682 ( 0.000 0.000 -8.053) 8.053 5.215 ( 0.000 0.000 1.942) 1.942 5.221 ( 0.000 0.000 16.811) 16.811 5.399 ( 0.000 0.000 -0.934) 0.934 5.719 ( 0.000 0.000 -7.568) 7.568 5.817 ( 0.000 0.000 2.792) 2.792 6.010 ( 0.000 0.000 -20.172) 20.172 6.058 ( 0.000 0.000 4.816) 4.816 6.113 ( 0.000 0.000 -4.277) 4.277 6.797 ( 0.000 0.000 1.809) 1.809 6.797 ( 0.000 0.000 0.509) 0.509 6.812 ( 0.000 0.000 3.434) 3.434 7.053 ( 0.000 0.000 9.429) 9.429 7.589 ( 0.000 0.000 0.100) 0.100 7.896 ( 0.000 0.000 -12.765) 12.765 8.234 ( 0.000 0.000 -9.219) 9.219 8.327 ( 0.000 0.000 9.175) 9.175 8.348 ( 0.000 0.000 -4.192) 4.192 8.432 ( 0.000 0.000 -9.619) 9.619 8.716 ( 0.000 0.000 4.560) 4.560 9.182 ( 0.000 0.000 -9.025) 9.025 9.200 ( 0.000 0.000 4.380) 4.380 9.272 ( 0.000 0.000 1.816) 1.816 9.480 ( 0.000 0.000 5.532) 5.532 9.865 ( 0.000 0.000 4.071) 4.071 9.912 ( 0.000 0.000 0.216) 0.216 9.945 ( 0.000 0.000 -5.037) 5.037 10.296 ( 0.000 0.000 -1.208) 1.208 10.347 ( 0.000 0.000 -6.722) 6.722 10.392 ( 0.000 0.000 1.287) 1.287 10.871 ( 0.000 0.000 1.093) 1.093 10.883 ( 0.000 0.000 -2.712) 2.712 10.982 ( 0.000 0.000 -4.977) 4.977 11.101 ( 0.000 0.000 -4.020) 4.020 11.192 ( 0.000 0.000 9.660) 9.660 11.618 ( 0.000 0.000 -12.873) 12.873 11.786 ( 0.000 0.000 -10.790) 10.790 12.143 ( 0.000 0.000 9.396) 9.396 12.209 ( 0.000 0.000 1.378) 1.378 12.243 ( 0.000 0.000 9.254) 9.254 12.247 ( 0.000 0.000 6.157) 6.157 12.610 ( 0.000 0.000 2.813) 2.813 12.720 ( 0.000 0.000 -7.004) 7.004 12.979 ( 0.000 0.000 1.914) 1.914 13.048 ( 0.000 0.000 -7.977) 7.977 13.309 ( 0.000 0.000 -1.948) 1.948 13.410 ( 0.000 0.000 -2.664) 2.664 13.625 ( 0.000 0.000 7.128) 7.128 13.857 ( 0.000 0.000 0.655) 0.655 14.284 ( 0.000 0.000 2.673) 2.673 14.379 ( 0.000 0.000 -23.253) 23.253 14.875 ( 0.000 0.000 -23.377) 23.377 14.967 ( 0.000 0.000 -11.071) 11.071 14.968 ( 0.000 0.000 -10.792) 10.792 15.227 ( 0.000 0.000 -19.057) 19.057 15.653 ( 0.000 0.000 -2.495) 2.495 15.777 ( 0.000 0.000 -11.544) 11.544 15.978 ( 0.000 0.000 11.283) 11.283 16.089 ( 0.000 0.000 17.223) 17.223 16.140 ( 0.000 0.000 -13.514) 13.514 16.353 ( 0.000 0.000 16.979) 16.979 16.385 ( 0.000 0.000 -13.219) 13.219 16.941 ( 0.000 0.000 -3.572) 3.572 17.978 ( 0.000 0.000 -1.173) 1.173 18.354 ( 0.000 0.000 2.716) 2.716 19.276 ( 0.000 0.000 -7.726) 7.726 19.644 ( 0.000 0.000 8.907) 8.907 19.651 ( 0.000 0.000 5.464) 5.464 19.866 ( 0.000 0.000 -13.091) 13.091 19.906 ( 0.000 0.000 16.955) 16.955 20.098 ( 0.000 0.000 -15.088) 15.088 20.276 ( 0.000 0.000 5.664) 5.664 20.931 ( 0.000 0.000 -6.336) 6.336 21.186 ( 0.000 0.000 0.487) 0.487 21.221 ( 0.000 0.000 -3.958) 3.958 21.431 ( 0.000 0.000 -0.255) 0.255 21.529 ( 0.000 0.000 -1.612) 1.612 21.671 ( 0.000 0.000 4.450) 4.450 21.759 ( 0.000 0.000 2.619) 2.619 22.178 ( 0.000 0.000 8.650) 8.650 22.188 ( 0.000 0.000 2.890) 2.890 22.398 ( 0.000 0.000 -8.632) 8.632 22.735 ( 0.000 0.000 9.465) 9.465 22.874 ( 0.000 0.000 2.096) 2.096 23.091 ( 0.000 0.000 4.864) 4.864 23.145 ( 0.000 0.000 4.291) 4.291 23.474 ( 0.000 0.000 10.503) 10.503 23.726 ( 0.000 0.000 9.176) 9.176 23.854 ( 0.000 0.000 5.005) 5.005 24.002 ( 0.000 0.000 1.806) 1.806 24.081 ( 0.000 0.000 3.211) 3.211 24.207 ( 0.000 0.000 10.527) 10.527 24.945 ( 0.000 0.000 -5.715) 5.715 26.123 ( 0.000 0.000 -2.120) 2.120 26.172 ( 0.000 0.000 -6.306) 6.306 26.509 ( 0.000 0.000 0.035) 0.035 26.926 ( 0.000 0.000 -4.067) 4.067 27.522 ( 0.000 0.000 4.155) 4.155 27.660 ( 0.000 0.000 2.916) 2.916 27.726 ( 0.000 0.000 2.297) 2.297 27.962 ( 0.000 0.000 -2.526) 2.526 27.999 ( 0.000 0.000 -0.680) 0.680 28.105 ( 0.000 0.000 4.787) 4.787 28.134 ( 0.000 0.000 3.031) 3.031 28.264 ( 0.000 0.000 -4.030) 4.030 28.299 ( 0.000 0.000 4.975) 4.975 28.521 ( 0.000 0.000 -1.714) 1.714 28.539 ( 0.000 0.000 13.572) 13.572 28.870 ( 0.000 0.000 3.694) 3.694 28.963 ( 0.000 0.000 -1.035) 1.035 29.015 ( 0.000 0.000 3.385) 3.385 29.124 ( 0.000 0.000 0.679) 0.679 29.211 ( 0.000 0.000 3.390) 3.390 29.504 ( 0.000 0.000 6.684) 6.684 29.606 ( 0.000 0.000 0.112) 0.112 29.832 ( 0.000 0.000 -2.621) 2.621 29.848 ( 0.000 0.000 9.710) 9.710 30.797 ( 0.000 0.000 -11.406) 11.406 30.853 ( 0.000 0.000 -0.362) 0.362 31.614 ( 0.000 0.000 -1.942) 1.942 32.744 ( 0.000 0.000 -8.430) 8.430 ======================= Grid point 26 (11/54) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 25.718 0.000 20.624) 32.966 1.155 ( 25.408 0.000 24.224) 35.105 1.775 ( 41.775 0.000 35.702) 54.953 1.798 ( 0.219 0.000 1.057) 1.080 2.053 ( 2.765 0.000 1.860) 3.332 2.147 ( 5.146 0.000 -1.368) 5.324 2.215 ( 0.404 0.000 5.335) 5.351 2.259 ( -3.504 0.000 1.004) 3.645 2.451 ( 2.185 0.000 1.587) 2.700 2.648 ( -5.417 0.000 -2.974) 6.179 2.767 ( -2.882 0.000 0.138) 2.885 2.801 ( -0.810 0.000 -3.391) 3.487 3.019 ( -2.946 0.000 -3.188) 4.340 3.270 ( 6.532 0.000 7.151) 9.685 3.545 ( -0.497 0.000 12.770) 12.779 3.720 ( 7.972 0.000 17.115) 18.881 3.814 ( -10.945 0.000 11.650) 15.985 3.883 ( -12.142 0.000 19.599) 23.055 4.040 ( 22.512 0.000 20.619) 30.527 4.199 ( -4.736 0.000 4.578) 6.588 4.487 ( 4.920 0.000 2.794) 5.658 4.517 ( 18.305 0.000 1.238) 18.346 4.703 ( 2.923 0.000 -6.794) 7.396 4.747 ( 9.127 0.000 -3.429) 9.750 5.217 ( -0.131 0.000 4.602) 4.604 5.265 ( 4.732 0.000 16.266) 16.941 5.356 ( -6.130 0.000 -1.290) 6.264 5.565 ( -10.973 0.000 7.177) 13.112 5.597 ( -11.187 0.000 -9.634) 14.764 5.936 ( -10.716 0.000 -3.111) 11.158 6.155 ( 1.098 0.000 -7.548) 7.628 6.395 ( -4.963 0.000 -1.206) 5.108 6.518 ( 3.578 0.000 4.114) 5.453 6.535 ( -10.493 0.000 -0.978) 10.539 6.871 ( -1.212 0.000 -4.803) 4.954 7.165 ( 8.043 0.000 14.706) 16.762 7.659 ( 5.879 0.000 -2.851) 6.533 7.963 ( -18.884 0.000 1.200) 18.922 7.986 ( 8.575 0.000 -8.948) 12.393 8.355 ( 6.368 0.000 -13.100) 14.566 8.451 ( -12.561 0.000 2.268) 12.764 8.535 ( 15.228 0.000 -5.938) 16.345 8.727 ( -2.511 0.000 1.286) 2.821 8.941 ( -22.313 0.000 0.509) 22.319 9.020 ( -2.051 0.000 -0.635) 2.147 9.313 ( -8.765 0.000 11.088) 14.133 9.442 ( 7.983 0.000 -10.619) 13.285 9.841 ( 0.152 0.000 3.269) 3.272 9.917 ( 0.460 0.000 0.330) 0.566 10.034 ( -13.935 0.000 -9.958) 17.127 10.226 ( -2.721 0.000 -0.931) 2.876 10.259 ( 10.482 0.000 -2.243) 10.719 10.462 ( 1.578 0.000 3.804) 4.118 10.883 ( -1.555 0.000 -4.104) 4.389 10.931 ( -1.458 0.000 -0.690) 1.613 10.964 ( -0.181 0.000 4.428) 4.432 11.125 ( 5.157 0.000 -1.924) 5.504 11.223 ( 2.845 0.000 0.768) 2.947 11.635 ( 2.029 0.000 -8.062) 8.313 11.658 ( -8.841 0.000 -4.366) 9.861 11.911 ( -7.397 0.000 7.110) 10.260 12.021 ( -12.277 0.000 5.251) 13.353 12.434 ( 5.181 0.000 1.081) 5.292 12.554 ( 1.684 0.000 -3.677) 4.044 12.580 ( 18.591 0.000 5.252) 19.318 12.744 ( -1.011 0.000 -0.569) 1.161 12.866 ( -1.599 0.000 -0.524) 1.682 13.089 ( 1.202 0.000 -5.971) 6.090 13.275 ( -15.420 0.000 -1.001) 15.453 13.572 ( 13.840 0.000 -4.873) 14.673 13.649 ( 9.512 0.000 -3.467) 10.124 13.774 ( -2.303 0.000 -1.318) 2.653 14.313 ( -1.129 0.000 6.942) 7.034 14.435 ( 3.483 0.000 -17.660) 18.000 14.718 ( -1.155 0.000 -12.708) 12.761 15.040 ( 6.395 0.000 -10.185) 12.026 15.113 ( 9.554 0.000 -12.351) 15.615 15.377 ( 1.014 0.000 -2.845) 3.020 15.599 ( -3.558 0.000 -6.804) 7.678 15.755 ( -2.700 0.000 -10.759) 11.093 15.815 ( -2.476 0.000 -6.165) 6.644 15.962 ( -15.227 0.000 -11.049) 18.813 16.296 ( -1.377 0.000 -8.398) 8.510 16.502 ( 17.102 0.000 0.811) 17.121 16.530 ( 16.028 0.000 15.849) 22.541 16.956 ( 3.392 0.000 3.244) 4.693 17.838 ( -13.673 0.000 1.041) 13.712 18.269 ( -12.842 0.000 -0.403) 12.849 19.334 ( 5.617 0.000 -8.049) 9.815 19.638 ( -0.192 0.000 0.620) 0.649 19.680 ( 2.590 0.000 5.925) 6.467 19.837 ( -3.438 0.000 -5.478) 6.468 19.873 ( -2.757 0.000 14.532) 14.791 20.010 ( -5.978 0.000 -10.835) 12.374 20.204 ( -7.387 0.000 8.531) 11.285 20.445 ( -20.481 0.000 22.662) 30.546 20.943 ( 1.322 0.000 -7.689) 7.802 21.291 ( -5.624 0.000 -5.587) 7.927 21.414 ( 11.437 0.000 -0.650) 11.455 21.727 ( 3.778 0.000 5.130) 6.371 21.771 ( 2.086 0.000 1.936) 2.846 21.993 ( 1.126 0.000 -9.858) 9.922 22.110 ( -4.349 0.000 9.329) 10.293 22.392 ( -3.362 0.000 -8.361) 9.011 22.435 ( 14.792 0.000 -2.323) 14.973 22.764 ( -7.293 0.000 3.855) 8.249 22.818 ( 7.735 0.000 10.359) 12.928 23.104 ( 0.775 0.000 5.657) 5.710 23.376 ( 17.239 0.000 -14.325) 22.414 23.524 ( 5.016 0.000 8.826) 10.152 23.797 ( 2.958 0.000 3.529) 4.605 23.922 ( 9.262 0.000 3.994) 10.087 23.990 ( 0.093 0.000 6.527) 6.527 24.023 ( -5.549 0.000 3.446) 6.532 24.201 ( -0.249 0.000 9.526) 9.529 24.871 ( -7.535 0.000 -5.281) 9.201 26.137 ( 1.735 0.000 -2.983) 3.451 26.218 ( 3.664 0.000 -6.809) 7.733 26.482 ( -2.059 0.000 0.993) 2.286 26.848 ( -7.396 0.000 -3.734) 8.285 27.543 ( 2.090 0.000 4.680) 5.125 27.662 ( 0.216 0.000 2.064) 2.075 27.710 ( -1.531 0.000 2.719) 3.121 27.837 ( -10.780 0.000 4.539) 11.697 28.003 ( 0.603 0.000 1.584) 1.695 28.108 ( 0.258 0.000 3.792) 3.801 28.121 ( -3.807 0.000 9.799) 10.513 28.129 ( -0.355 0.000 3.747) 3.764 28.373 ( 3.408 0.000 1.343) 3.663 28.508 ( -2.087 0.000 11.036) 11.231 28.530 ( 0.980 0.000 -1.602) 1.878 28.789 ( -6.240 0.000 1.414) 6.398 28.981 ( -10.282 0.000 20.928) 23.317 29.011 ( 3.221 0.000 1.481) 3.545 29.035 ( -1.162 0.000 7.946) 8.031 29.108 ( -1.234 0.000 1.680) 2.085 29.185 ( -2.347 0.000 4.331) 4.926 29.294 ( -9.415 0.000 8.498) 12.683 29.828 ( 1.743 0.000 -4.590) 4.910 30.260 ( 27.648 0.000 4.666) 28.039 30.629 ( -15.411 0.000 -9.716) 18.218 31.524 ( -8.828 0.000 -1.744) 8.998 31.738 ( 33.563 0.000 -31.582) 46.086 32.610 ( -9.765 0.000 -3.993) 10.550 ======================= Grid point 27 (12/54) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 20.561 0.000 8.864) 22.390 1.657 ( 22.317 0.000 11.333) 25.029 1.762 ( -5.421 0.000 2.031) 5.789 2.013 ( -11.310 0.000 2.973) 11.694 2.178 ( 1.429 0.000 2.670) 3.029 2.206 ( -0.479 0.000 4.688) 4.713 2.293 ( 8.868 0.000 -3.309) 9.465 2.488 ( -9.505 0.000 -4.679) 10.594 2.532 ( 6.572 0.000 0.624) 6.601 2.576 ( 25.318 0.000 7.754) 26.478 2.691 ( -3.941 0.000 1.707) 4.295 2.869 ( 9.226 0.000 4.913) 10.453 2.930 ( -7.326 0.000 -0.697) 7.359 3.209 ( -22.624 0.000 8.856) 24.296 3.362 ( 4.755 0.000 20.124) 20.678 3.543 ( -13.117 0.000 21.129) 24.869 3.841 ( 9.592 0.000 18.585) 20.915 3.973 ( 0.743 0.000 25.029) 25.040 4.340 ( 16.634 0.000 -9.394) 19.104 4.482 ( 17.013 0.000 -0.224) 17.015 4.632 ( -7.620 0.000 -11.142) 13.498 4.641 ( 7.755 0.000 10.370) 12.949 4.889 ( 13.925 0.000 -4.106) 14.518 5.043 ( 16.112 0.000 -1.767) 16.209 5.152 ( 0.993 0.000 11.339) 11.383 5.260 ( -13.643 0.000 -2.286) 13.834 5.281 ( -0.524 0.000 -0.886) 1.030 5.441 ( -1.558 0.000 5.377) 5.598 5.451 ( -3.970 0.000 0.790) 4.048 5.626 ( -2.623 0.000 17.539) 17.734 5.770 ( -32.669 0.000 6.011) 33.218 5.964 ( -18.186 0.000 11.656) 21.601 6.547 ( 8.480 0.000 -14.040) 16.402 6.752 ( -10.047 0.000 -5.142) 11.287 7.130 ( 36.531 0.000 -3.664) 36.715 7.426 ( 19.452 0.000 10.615) 22.160 7.749 ( -3.115 0.000 -4.265) 5.282 7.754 ( 1.854 0.000 -4.232) 4.620 7.896 ( -33.852 0.000 -5.801) 34.345 7.972 ( -27.362 0.000 8.615) 28.686 8.352 ( 13.300 0.000 -7.120) 15.086 8.607 ( -4.478 0.000 -7.046) 8.348 8.765 ( 5.210 0.000 -0.688) 5.255 8.876 ( -1.429 0.000 -3.204) 3.508 9.143 ( 10.829 0.000 -2.725) 11.167 9.243 ( 10.659 0.000 4.608) 11.613 9.375 ( -10.351 0.000 -6.052) 11.990 9.635 ( -21.837 0.000 -7.701) 23.155 9.858 ( 1.485 0.000 -4.083) 4.345 9.918 ( -3.060 0.000 -4.770) 5.667 10.388 ( 18.145 0.000 4.334) 18.656 10.432 ( 4.777 0.000 3.646) 6.009 10.487 ( -0.071 0.000 3.683) 3.684 10.769 ( -16.315 0.000 4.237) 16.856 10.853 ( 1.686 0.000 -5.288) 5.550 10.917 ( -2.444 0.000 -2.775) 3.698 11.260 ( 4.601 0.000 -1.532) 4.850 11.281 ( 1.932 0.000 -2.925) 3.505 11.565 ( 1.821 0.000 1.313) 2.245 11.698 ( 3.936 0.000 -0.990) 4.059 11.736 ( -13.367 0.000 4.753) 14.187 11.792 ( -5.169 0.000 3.839) 6.439 12.553 ( 8.045 0.000 4.493) 9.215 12.651 ( 4.472 0.000 -6.611) 7.982 12.693 ( -0.899 0.000 3.171) 3.296 12.894 ( 7.598 0.000 -1.620) 7.769 12.931 ( -16.719 0.000 -3.831) 17.153 12.932 ( 5.022 0.000 -0.780) 5.082 13.144 ( 8.423 0.000 -4.148) 9.390 13.433 ( -15.152 0.000 -1.730) 15.251 13.899 ( 13.301 0.000 -10.277) 16.808 14.102 ( 20.811 0.000 -7.489) 22.118 14.159 ( -11.632 0.000 -10.005) 15.343 14.414 ( -7.919 0.000 -10.433) 13.098 14.888 ( 14.037 0.000 11.356) 18.055 15.189 ( -14.152 0.000 13.379) 19.475 15.214 ( 11.267 0.000 -10.345) 15.296 15.384 ( 15.909 0.000 -14.179) 21.311 15.492 ( -12.403 0.000 -12.019) 17.271 15.652 ( -2.390 0.000 -9.058) 9.368 15.702 ( -12.673 0.000 -17.696) 21.766 15.711 ( -5.656 0.000 -7.996) 9.794 16.403 ( 11.670 0.000 -14.721) 18.786 16.613 ( -6.002 0.000 -14.433) 15.631 16.951 ( 23.976 0.000 11.919) 26.775 17.259 ( 25.355 0.000 17.783) 30.969 17.449 ( -23.289 0.000 6.261) 24.116 17.828 ( -27.666 0.000 9.933) 29.395 19.488 ( 8.668 0.000 -10.560) 13.662 19.624 ( -2.936 0.000 -12.164) 12.513 19.744 ( 3.349 0.000 7.601) 8.306 19.768 ( -0.450 0.000 5.652) 5.670 19.811 ( -3.214 0.000 10.583) 11.060 19.865 ( -8.262 0.000 -6.024) 10.225 20.121 ( 1.123 0.000 8.648) 8.720 20.209 ( -7.067 0.000 10.125) 12.348 20.998 ( 4.344 0.000 -8.660) 9.689 21.124 ( -7.883 0.000 -7.355) 10.781 21.708 ( 11.520 0.000 -0.521) 11.532 21.790 ( 1.531 0.000 5.614) 5.819 21.836 ( 4.196 0.000 0.766) 4.266 21.932 ( -4.822 0.000 -2.161) 5.284 22.071 ( 2.640 0.000 5.783) 6.357 22.241 ( -10.446 0.000 -4.142) 11.238 22.595 ( 3.876 0.000 3.981) 5.556 22.659 ( -3.282 0.000 4.304) 5.412 22.987 ( 7.411 0.000 9.345) 11.927 23.092 ( -2.647 0.000 7.656) 8.100 23.630 ( 8.096 0.000 -9.197) 12.253 23.674 ( 9.176 0.000 5.790) 10.850 23.759 ( -4.927 0.000 -3.471) 6.027 23.868 ( -9.161 0.000 4.149) 10.057 24.051 ( 4.914 0.000 8.018) 9.404 24.130 ( -0.458 0.000 3.810) 3.838 24.294 ( 16.691 0.000 1.832) 16.791 24.641 ( -14.802 0.000 -4.212) 15.389 26.196 ( 3.796 0.000 -4.571) 5.942 26.261 ( -1.129 0.000 -7.521) 7.606 26.489 ( 4.741 0.000 1.718) 5.042 26.657 ( -10.143 0.000 -1.717) 10.287 27.602 ( 3.342 0.000 4.693) 5.761 27.666 ( -2.753 0.000 3.737) 4.642 27.669 ( 0.556 0.000 1.312) 1.425 27.698 ( -3.016 0.000 3.604) 4.700 28.033 ( 2.167 0.000 5.634) 6.036 28.078 ( -1.932 0.000 8.197) 8.421 28.114 ( 0.331 0.000 3.018) 3.036 28.122 ( -0.384 0.000 4.060) 4.078 28.433 ( 2.361 0.000 4.262) 4.873 28.471 ( -1.603 0.000 6.967) 7.149 28.570 ( 3.086 0.000 -0.814) 3.192 28.660 ( -5.704 0.000 0.431) 5.720 28.958 ( 3.827 0.000 10.158) 10.855 29.027 ( -1.774 0.000 5.520) 5.799 29.076 ( 2.822 0.000 4.128) 5.000 29.098 ( 0.544 0.000 5.256) 5.284 29.134 ( -1.921 0.000 4.343) 4.749 29.169 ( -4.131 0.000 4.089) 5.813 29.937 ( 10.196 0.000 -4.620) 11.193 30.250 ( -19.222 0.000 -6.311) 20.231 30.813 ( 25.223 0.000 1.009) 25.244 31.254 ( -17.631 0.000 -0.939) 17.656 32.174 ( 14.027 0.000 -17.216) 22.206 32.408 ( -10.080 0.000 -7.573) 12.608 ======================= Grid point 30 (13/54) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 25.919 24.508) 35.671 1.171 ( 0.000 25.017 22.216) 33.458 1.531 ( 0.000 25.907 23.350) 34.877 1.946 ( 0.000 10.655 10.455) 14.928 1.992 ( 0.000 -10.186 2.183) 10.417 1.995 ( 0.000 -2.095 7.941) 8.213 2.126 ( 0.000 -6.331 3.158) 7.075 2.284 ( 0.000 0.257 1.362) 1.386 2.378 ( 0.000 -4.008 3.578) 5.372 2.743 ( 0.000 -7.935 -4.460) 9.102 2.786 ( 0.000 3.277 1.197) 3.489 3.000 ( 0.000 -3.224 -3.467) 4.734 3.071 ( 0.000 14.530 -7.791) 16.487 3.138 ( 0.000 1.077 5.245) 5.355 3.447 ( 0.000 -13.952 11.545) 18.109 3.472 ( 0.000 -0.788 16.407) 16.426 3.528 ( 0.000 -12.636 25.981) 28.891 3.657 ( 0.000 -15.146 11.951) 19.293 4.176 ( 0.000 1.986 8.214) 8.451 4.304 ( 0.000 5.892 15.435) 16.521 4.403 ( 0.000 7.784 -4.206) 8.848 4.553 ( 0.000 4.084 19.072) 19.505 4.651 ( 0.000 -0.838 -7.346) 7.394 4.924 ( 0.000 18.803 -7.321) 20.178 5.190 ( 0.000 -0.804 1.499) 1.701 5.214 ( 0.000 -7.797 -2.493) 8.185 5.324 ( 0.000 1.799 10.451) 10.604 5.691 ( 0.000 -3.646 -8.251) 9.021 5.794 ( 0.000 -10.710 -8.411) 13.618 5.844 ( 0.000 2.007 3.834) 4.327 6.043 ( 0.000 -2.693 1.812) 3.246 6.345 ( 0.000 -7.526 3.597) 8.342 6.644 ( 0.000 -9.913 16.002) 18.824 6.651 ( 0.000 14.180 0.021) 14.180 6.844 ( 0.000 -3.421 3.835) 5.139 7.087 ( 0.000 7.497 -6.930) 10.209 7.508 ( 0.000 -4.406 -3.516) 5.637 7.965 ( 0.000 -18.846 2.278) 18.984 7.996 ( 0.000 4.667 -6.636) 8.113 8.217 ( 0.000 -2.015 -4.349) 4.793 8.418 ( 0.000 -0.652 -7.434) 7.462 8.514 ( 0.000 2.299 -1.457) 2.722 9.049 ( 0.000 4.428 -0.184) 4.432 9.151 ( 0.000 12.569 3.757) 13.119 9.173 ( 0.000 -1.728 -5.566) 5.828 9.211 ( 0.000 -4.664 2.951) 5.519 9.558 ( 0.000 8.901 -1.383) 9.008 9.734 ( 0.000 -4.225 -4.953) 6.510 10.067 ( 0.000 6.136 -4.470) 7.592 10.117 ( 0.000 18.969 2.482) 19.131 10.181 ( 0.000 -3.853 1.926) 4.307 10.370 ( 0.000 0.531 -9.089) 9.104 10.553 ( 0.000 5.873 3.540) 6.857 10.642 ( 0.000 -11.418 -1.548) 11.523 10.832 ( 0.000 -4.971 1.614) 5.227 11.034 ( 0.000 -4.323 9.401) 10.347 11.097 ( 0.000 -0.139 -1.963) 1.968 11.168 ( 0.000 -15.276 -13.366) 20.298 11.565 ( 0.000 10.637 4.800) 11.670 11.738 ( 0.000 -3.522 0.764) 3.604 11.923 ( 0.000 5.060 2.517) 5.652 12.130 ( 0.000 4.250 -4.481) 6.176 12.282 ( 0.000 -17.068 2.684) 17.278 12.454 ( 0.000 -7.450 -8.472) 11.282 12.574 ( 0.000 -0.549 -4.365) 4.399 12.900 ( 0.000 10.410 -5.535) 11.790 13.032 ( 0.000 10.090 8.687) 13.314 13.161 ( 0.000 7.270 -5.391) 9.051 13.414 ( 0.000 1.151 -3.432) 3.620 13.428 ( 0.000 5.292 -3.966) 6.613 13.595 ( 0.000 -2.220 5.613) 6.036 14.029 ( 0.000 -19.596 11.125) 22.534 14.096 ( 0.000 16.761 0.581) 16.771 14.438 ( 0.000 7.297 -28.899) 29.806 14.802 ( 0.000 -11.401 -6.864) 13.308 14.876 ( 0.000 -0.380 -25.441) 25.444 15.048 ( 0.000 5.850 -13.011) 14.266 15.215 ( 0.000 0.415 -20.865) 20.869 15.634 ( 0.000 -0.988 -1.762) 2.021 15.797 ( 0.000 -3.551 -1.038) 3.700 15.889 ( 0.000 -2.998 8.204) 8.734 16.084 ( 0.000 -3.032 5.641) 6.404 16.249 ( 0.000 5.863 -8.874) 10.636 16.255 ( 0.000 1.742 -4.506) 4.831 16.461 ( 0.000 2.671 7.428) 7.893 16.847 ( 0.000 -8.453 -1.880) 8.660 18.039 ( 0.000 5.161 -0.681) 5.205 18.303 ( 0.000 -4.603 2.213) 5.107 19.340 ( 0.000 5.943 -8.416) 10.303 19.617 ( 0.000 -3.228 2.503) 4.085 19.643 ( 0.000 0.185 7.039) 7.041 19.782 ( 0.000 -6.110 -8.499) 10.468 19.936 ( 0.000 1.929 15.563) 15.682 20.116 ( 0.000 1.994 -11.140) 11.317 20.210 ( 0.000 -8.226 8.038) 11.501 20.347 ( 0.000 -19.724 26.853) 33.318 21.259 ( 0.000 3.369 -3.557) 4.899 21.276 ( 0.000 8.241 -8.861) 12.101 21.464 ( 0.000 -3.745 -2.034) 4.262 21.564 ( 0.000 8.416 0.641) 8.440 21.690 ( 0.000 -4.875 1.192) 5.018 21.741 ( 0.000 4.701 4.726) 6.665 22.073 ( 0.000 -6.659 2.101) 6.983 22.212 ( 0.000 -12.963 -2.743) 13.250 22.295 ( 0.000 7.154 8.724) 11.282 22.703 ( 0.000 -9.441 6.273) 11.335 22.841 ( 0.000 8.604 4.557) 9.737 23.124 ( 0.000 1.532 4.215) 4.485 23.224 ( 0.000 9.570 9.446) 13.447 23.519 ( 0.000 2.800 7.717) 8.209 23.660 ( 0.000 -4.952 10.588) 11.689 23.786 ( 0.000 -5.083 5.107) 7.206 23.943 ( 0.000 -4.058 2.897) 4.986 24.019 ( 0.000 -4.823 8.166) 9.484 24.293 ( 0.000 8.650 4.192) 9.612 24.813 ( 0.000 -11.093 -3.557) 11.649 26.192 ( 0.000 3.125 -0.207) 3.132 26.211 ( 0.000 2.671 -5.415) 6.038 27.013 ( 0.000 7.240 -7.291) 10.275 27.086 ( 0.000 15.699 -27.461) 31.632 27.542 ( 0.000 1.931 4.813) 5.186 27.646 ( 0.000 -1.478 3.887) 4.159 27.659 ( 0.000 -3.424 2.650) 4.330 27.903 ( 0.000 -11.147 4.443) 12.000 28.061 ( 0.000 6.538 -2.870) 7.140 28.130 ( 0.000 2.177 5.456) 5.874 28.158 ( 0.000 1.984 0.180) 1.992 28.258 ( 0.000 -3.126 5.673) 6.477 28.335 ( 0.000 4.412 -9.543) 10.513 28.440 ( 0.000 -3.478 6.685) 7.535 28.684 ( 0.000 8.483 2.219) 8.768 28.891 ( 0.000 2.004 3.896) 4.381 28.962 ( 0.000 -2.847 2.393) 3.720 29.033 ( 0.000 -0.734 -5.964) 6.009 29.161 ( 0.000 6.802 3.654) 7.721 29.337 ( 0.000 10.934 5.362) 12.178 29.533 ( 0.000 2.792 5.238) 5.936 29.545 ( 0.000 -5.884 -0.663) 5.922 29.728 ( 0.000 -6.518 0.648) 6.550 29.812 ( 0.000 -5.499 8.932) 10.489 30.808 ( 0.000 1.530 -12.985) 13.075 30.892 ( 0.000 0.835 -9.823) 9.858 31.782 ( 0.000 13.884 -1.514) 13.966 32.486 ( 0.000 -16.597 0.890) 16.620 ======================= Grid point 31 (14/54) ======================= q-point: ( 0.20 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 16.549 20.636 15.965) 30.896 1.359 ( 16.378 17.713 17.534) 29.823 1.793 ( 10.825 6.177 2.562) 12.724 2.020 ( 3.306 -4.925 3.183) 6.732 2.047 ( 6.180 -6.776 3.371) 9.771 2.096 ( 16.732 16.520 18.824) 30.119 2.152 ( 2.009 -5.585 3.145) 6.717 2.260 ( -1.766 1.027 1.661) 2.633 2.379 ( 1.116 -4.261 3.114) 5.394 2.699 ( -4.234 -1.277 -3.702) 5.767 2.784 ( -0.175 2.617 1.211) 2.889 2.963 ( -3.031 -1.591 -1.271) 3.651 2.987 ( -1.994 13.163 -1.202) 13.368 3.279 ( 6.276 1.217 8.657) 10.762 3.474 ( 5.631 -7.123 13.189) 16.013 3.622 ( 11.334 -8.436 18.438) 23.229 3.685 ( 2.098 -9.991 12.924) 16.470 3.792 ( 20.061 -12.866 15.653) 28.513 3.936 ( -16.237 7.177 12.413) 21.662 4.259 ( -4.583 4.330 7.308) 9.652 4.392 ( -5.169 -1.838 5.031) 7.444 4.586 ( 11.847 2.175 3.880) 12.655 4.717 ( 4.066 -3.799 -3.176) 6.407 4.979 ( 3.456 13.382 -4.903) 14.665 5.085 ( -7.493 -5.611 0.145) 9.362 5.193 ( -3.791 -5.788 1.005) 6.991 5.391 ( 5.626 5.558 7.369) 10.810 5.641 ( -4.757 6.820 -0.647) 8.340 5.711 ( 2.151 6.230 1.439) 6.746 6.022 ( 6.796 -0.693 -9.447) 11.658 6.213 ( -4.656 -8.277 6.541) 11.531 6.242 ( -15.522 -1.079 -4.217) 16.121 6.411 ( 13.810 -9.573 5.628) 17.721 6.578 ( -17.742 8.369 3.312) 19.894 6.844 ( 1.583 -4.755 10.782) 11.889 7.110 ( 4.049 6.148 -3.389) 8.104 7.535 ( 2.523 -7.842 -3.376) 8.903 7.748 ( -16.544 -15.579 1.683) 22.787 8.099 ( 7.450 5.759 -5.361) 10.835 8.299 ( 0.403 -5.135 -6.193) 8.055 8.400 ( -9.747 -2.335 -1.494) 10.134 8.555 ( 11.717 -3.568 -4.610) 13.087 8.889 ( -12.346 8.379 -3.635) 15.358 9.019 ( -8.283 1.401 -3.686) 9.174 9.173 ( -3.759 13.902 3.482) 14.816 9.296 ( -3.538 -2.138 7.283) 8.374 9.413 ( 4.859 1.511 -10.167) 11.369 9.682 ( -4.704 -5.848 -4.151) 8.576 9.960 ( -8.794 10.668 -2.245) 14.006 10.040 ( -4.943 -8.407 1.148) 9.820 10.218 ( -15.155 3.311 -1.495) 15.585 10.369 ( 16.413 9.206 -3.340) 19.113 10.620 ( 2.510 6.836 3.754) 8.193 10.726 ( 5.426 -9.698 -5.201) 12.270 10.905 ( 4.446 -1.818 1.450) 5.017 10.939 ( -7.819 -8.376 6.484) 13.166 11.148 ( 3.982 -3.005 -6.134) 7.906 11.209 ( 5.722 1.798 -3.017) 6.714 11.562 ( -0.556 7.983 7.541) 10.995 11.754 ( 0.504 3.551 -3.156) 4.777 11.966 ( 3.324 -8.681 6.904) 11.580 12.133 ( -1.483 11.260 -5.600) 12.663 12.198 ( -1.623 -6.715 -0.652) 6.939 12.399 ( -4.045 -6.910 -5.959) 9.981 12.568 ( -3.005 -5.633 -0.280) 6.390 12.781 ( -10.615 1.656 5.133) 11.907 13.027 ( 7.234 0.194 -9.419) 11.878 13.222 ( -2.016 9.241 1.319) 9.550 13.298 ( -11.567 4.071 -1.169) 12.319 13.562 ( 12.081 -2.370 -5.917) 13.659 13.685 ( 14.409 6.585 -1.699) 15.933 13.985 ( -6.178 14.521 -4.402) 16.383 14.181 ( 5.252 -11.107 7.985) 14.653 14.483 ( 1.793 3.848 -18.819) 19.291 14.675 ( 0.611 -2.328 -12.094) 12.331 15.035 ( 8.069 -1.028 -8.855) 12.024 15.117 ( 6.434 3.535 -10.915) 13.155 15.408 ( 8.404 1.734 -14.972) 17.256 15.500 ( -9.622 -9.061 -1.323) 13.283 15.678 ( -3.669 -5.186 -2.604) 6.866 15.901 ( -3.676 7.333 -11.269) 13.938 16.064 ( -8.517 6.056 -8.818) 13.674 16.177 ( -2.621 -6.803 -8.896) 11.502 16.399 ( 11.029 -7.226 -0.097) 13.186 16.575 ( 14.060 3.333 16.725) 22.103 16.877 ( 5.195 -6.959 5.919) 10.510 17.896 ( -13.985 5.061 1.866) 14.989 18.187 ( -13.531 -6.458 2.840) 15.260 19.390 ( 4.699 5.072 -8.873) 11.248 19.637 ( 0.375 -1.108 0.315) 1.211 19.644 ( 1.632 -2.000 2.398) 3.523 19.772 ( -1.451 -5.062 -4.198) 6.734 19.897 ( -3.148 1.679 13.497) 13.961 20.012 ( -6.106 -0.012 -2.023) 6.432 20.124 ( -6.443 -5.065 7.651) 11.212 20.276 ( -6.452 -8.965 12.011) 16.318 21.101 ( -2.522 10.937 -6.309) 12.876 21.362 ( 3.055 3.513 -5.529) 7.229 21.484 ( -0.476 6.975 1.893) 7.243 21.717 ( 5.860 -1.179 0.512) 5.999 21.806 ( 2.927 1.711 4.204) 5.401 21.890 ( 8.024 -4.158 -9.110) 12.832 22.143 ( -3.129 -0.943 3.826) 5.032 22.251 ( 20.281 -14.300 1.047) 24.838 22.349 ( 4.641 -3.806 1.319) 6.145 22.630 ( -5.285 -9.230 6.516) 12.473 22.781 ( -4.728 5.751 6.063) 9.601 23.123 ( -0.794 -0.284 4.391) 4.471 23.374 ( 12.000 6.562 5.343) 14.683 23.578 ( 5.715 3.934 5.593) 8.911 23.745 ( 5.570 -4.136 8.301) 10.818 23.853 ( 5.857 -4.958 4.131) 8.715 23.903 ( -0.507 -4.285 5.783) 7.215 24.047 ( 1.151 -3.487 6.821) 7.747 24.231 ( -5.657 6.660 4.858) 9.998 24.731 ( -7.952 -11.290 -2.931) 14.117 26.219 ( 3.076 4.305 -0.933) 5.373 26.266 ( 5.172 3.051 -6.015) 8.499 26.886 ( -11.905 10.210 -8.658) 17.915 26.986 ( -10.207 13.124 -20.276) 26.221 27.565 ( 2.137 1.977 5.004) 5.789 27.656 ( 1.188 -1.212 3.090) 3.525 27.659 ( -0.313 -2.312 2.929) 3.745 27.826 ( -6.321 -6.091 6.274) 10.789 28.039 ( -0.473 5.461 -0.531) 5.507 28.128 ( -0.784 2.842 2.597) 3.929 28.161 ( -0.217 2.537 2.797) 3.782 28.222 ( -2.633 3.701 4.814) 6.618 28.352 ( 2.980 0.750 -2.467) 3.941 28.441 ( 0.193 -3.192 5.165) 6.075 28.653 ( -3.495 7.560 0.951) 8.383 28.789 ( -7.854 0.065 1.449) 7.987 28.950 ( -1.867 -1.666 7.117) 7.544 29.051 ( -0.950 -0.294 3.490) 3.629 29.082 ( -10.560 3.972 14.714) 18.542 29.167 ( -1.781 6.073 4.935) 8.025 29.286 ( -9.942 3.652 6.022) 12.184 29.329 ( -2.758 11.197 5.203) 12.651 29.702 ( 0.955 -10.140 -3.518) 10.775 30.087 ( 9.683 -13.842 1.863) 16.995 30.794 ( 3.897 12.978 -8.548) 16.021 31.519 ( 31.765 -17.227 -21.188) 41.889 31.699 ( -7.922 14.403 -1.787) 16.535 32.411 ( -6.595 -14.826 -0.880) 16.251 ======================= Grid point 32 (15/54) ======================= q-point: ( 0.40 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 13.447 11.597 6.543) 18.924 1.716 ( 13.727 6.056 7.178) 16.632 1.863 ( 1.341 7.666 3.002) 8.341 2.039 ( -7.273 1.921 2.420) 7.903 2.129 ( 2.724 -6.069 0.967) 6.722 2.165 ( -0.316 -3.702 3.104) 4.841 2.220 ( 4.868 -5.568 -0.165) 7.398 2.310 ( -1.976 -9.823 1.043) 10.074 2.604 ( 7.733 4.414 1.671) 9.060 2.654 ( 4.824 4.864 0.568) 6.874 2.740 ( -2.072 2.959 2.067) 4.162 2.863 ( -5.939 -3.835 0.768) 7.111 3.082 ( 11.189 16.722 6.174) 21.046 3.341 ( -5.037 6.152 14.728) 16.737 3.472 ( -4.676 12.206 10.519) 16.778 3.612 ( -10.939 7.058 19.341) 23.315 3.740 ( 8.572 -8.850 18.694) 22.389 3.838 ( 4.182 -10.725 22.340) 25.131 4.240 ( 9.803 -19.391 6.277) 22.616 4.272 ( -1.931 -17.912 0.906) 18.039 4.392 ( 19.665 5.578 -1.948) 20.533 4.770 ( -1.285 3.284 -5.470) 6.509 4.872 ( 10.954 -6.246 -2.869) 12.932 4.965 ( -0.285 -7.248 -0.803) 7.297 5.047 ( -1.038 1.999 1.151) 2.530 5.147 ( 6.387 -2.435 4.211) 8.028 5.435 ( -11.409 5.512 2.894) 12.997 5.497 ( -7.039 6.971 6.378) 11.783 5.681 ( -12.960 5.911 0.226) 14.246 5.820 ( -10.270 11.214 15.709) 21.863 5.947 ( 7.373 21.173 5.121) 22.997 6.257 ( -15.880 19.494 3.668) 25.410 6.382 ( 12.907 -12.487 -11.752) 21.462 6.646 ( -10.772 -6.531 0.888) 12.628 6.967 ( 27.073 -15.824 1.962) 31.420 7.350 ( 18.378 -1.772 2.230) 18.598 7.464 ( -12.655 -20.526 -2.509) 24.244 7.613 ( 5.974 -8.812 -1.641) 10.772 7.886 ( -27.479 -3.879 2.552) 27.868 7.910 ( -23.744 -3.170 2.761) 24.113 8.536 ( 16.967 12.005 -9.460) 22.836 8.713 ( 2.436 3.195 -8.421) 9.330 8.843 ( 1.203 1.236 -7.015) 7.224 8.921 ( -4.401 6.576 -6.537) 10.264 9.124 ( 1.920 9.325 2.599) 9.869 9.249 ( -6.469 -9.005 -5.132) 12.218 9.377 ( 5.121 -2.152 5.357) 7.717 9.635 ( -7.439 -1.049 -7.882) 10.889 9.813 ( -5.177 -0.374 -3.139) 6.066 9.869 ( -10.338 5.470 0.568) 11.709 10.164 ( 13.837 -13.963 2.384) 19.802 10.488 ( -14.378 -14.167 -0.139) 20.185 10.650 ( 8.941 11.911 -0.170) 14.894 10.747 ( -1.063 9.512 0.814) 9.605 10.897 ( 2.625 0.710 0.244) 2.730 10.944 ( -0.926 1.090 0.282) 1.458 11.290 ( 8.137 4.223 -3.135) 9.689 11.335 ( 4.857 6.899 -1.913) 8.651 11.536 ( -0.513 3.838 7.925) 8.820 11.661 ( -9.995 5.560 1.726) 11.567 12.028 ( 4.471 -0.154 -1.622) 4.759 12.125 ( -2.687 16.113 -1.697) 16.424 12.241 ( 6.066 -4.255 -1.053) 7.484 12.370 ( 0.315 -13.880 -1.503) 13.965 12.466 ( -2.258 -8.988 1.346) 9.364 12.618 ( -9.071 -15.919 -0.384) 18.326 13.018 ( -0.334 -5.680 -2.922) 6.396 13.103 ( -6.679 -2.161 -1.447) 7.168 13.392 ( 13.333 19.227 -4.165) 23.765 13.660 ( -11.271 14.351 -6.521) 19.378 13.836 ( 12.554 -3.618 -10.135) 16.536 14.086 ( -10.752 -5.201 -9.969) 15.558 14.193 ( 19.697 8.636 -3.860) 21.851 14.495 ( -6.538 8.809 -4.558) 11.879 14.830 ( 13.792 -8.205 5.850) 17.081 15.134 ( -10.429 -6.259 6.627) 13.851 15.265 ( 5.003 2.958 -3.373) 6.720 15.303 ( 10.362 -1.126 -12.626) 16.372 15.490 ( -4.705 -4.959 -14.040) 15.616 15.529 ( -11.129 0.638 -8.540) 14.042 15.834 ( -1.322 8.209 -14.827) 16.999 15.894 ( -6.861 10.406 -11.900) 17.233 16.249 ( 10.664 -11.891 -13.987) 21.231 16.454 ( -6.266 -13.026 -13.361) 19.684 16.985 ( 24.281 2.965 13.796) 28.084 17.198 ( 25.000 -5.032 17.748) 31.070 17.496 ( -24.018 4.135 7.716) 25.564 17.754 ( -26.784 -5.991 11.012) 29.573 19.514 ( 6.867 2.526 -9.971) 12.367 19.623 ( -2.572 0.293 -9.267) 9.622 19.689 ( 2.046 -4.002 1.943) 4.896 19.726 ( -2.040 -3.460 1.433) 4.265 19.848 ( -0.671 2.878 9.395) 9.849 19.903 ( -5.503 3.190 -1.771) 6.603 20.049 ( 0.866 -5.349 7.991) 9.655 20.131 ( -6.379 -5.978 6.253) 10.748 21.130 ( 4.228 10.736 -5.816) 12.922 21.252 ( -7.366 10.465 -4.883) 13.698 21.605 ( 6.629 -8.027 0.514) 10.422 21.728 ( -5.044 -7.643 1.918) 9.356 21.949 ( 6.171 7.728 -1.531) 10.008 21.963 ( 2.718 7.514 1.490) 8.128 22.145 ( 6.354 5.984 3.560) 9.426 22.318 ( -4.774 0.838 -2.992) 5.696 22.528 ( -0.489 -5.936 4.581) 7.514 22.561 ( -3.250 -1.607 4.684) 5.923 22.837 ( 13.213 -14.450 3.743) 19.934 23.053 ( -6.783 -6.255 4.008) 10.060 23.590 ( 8.145 2.521 2.134) 8.789 23.699 ( -0.134 1.215 -0.572) 1.350 23.801 ( 5.932 6.476 5.759) 10.502 23.922 ( 2.107 -3.554 7.458) 8.526 23.985 ( -0.829 -2.698 5.450) 6.138 24.061 ( -4.263 -0.422 3.459) 5.505 24.191 ( 12.168 -7.545 6.167) 15.589 24.499 ( -14.392 -10.868 -0.724) 18.049 26.323 ( 7.039 8.047 -3.736) 11.325 26.399 ( 5.337 7.314 -9.360) 13.023 26.625 ( -8.739 7.343 -2.558) 11.698 26.729 ( -12.801 5.207 -7.821) 15.879 27.618 ( 2.649 1.545 4.219) 5.216 27.651 ( -0.515 0.366 3.180) 3.242 27.689 ( 1.787 0.342 2.268) 2.908 27.734 ( -2.902 0.366 3.977) 4.937 28.054 ( 1.614 3.730 2.988) 5.045 28.095 ( -2.160 3.705 3.971) 5.845 28.163 ( 0.913 2.889 3.095) 4.331 28.189 ( -1.295 3.404 5.386) 6.502 28.428 ( 3.054 0.904 2.142) 3.838 28.449 ( 0.385 -0.982 5.198) 5.304 28.592 ( -0.471 0.860 -0.613) 1.156 28.653 ( -5.431 -1.249 -0.414) 5.588 28.938 ( 2.002 0.086 11.343) 11.519 28.987 ( -1.904 -0.610 7.382) 7.648 29.069 ( 0.655 -2.620 5.275) 5.927 29.109 ( -3.355 -2.350 8.280) 9.238 29.225 ( 1.454 9.465 1.446) 9.685 29.272 ( -2.824 10.372 3.242) 11.228 29.778 ( 7.481 -12.718 -3.229) 15.105 30.001 ( -12.397 -17.970 -3.209) 22.066 31.082 ( 19.782 19.742 -2.749) 28.083 31.456 ( -15.596 16.553 -2.179) 22.847 31.985 ( 16.003 -16.535 -13.829) 26.846 32.241 ( -10.053 -14.240 -6.102) 18.468 ======================= Grid point 35 (16/54) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 -7.999 10.506) 13.204 1.635 ( 0.000 7.999 10.506) 13.204 1.672 ( 0.000 -8.006 12.549) 14.885 1.672 ( 0.000 8.006 12.549) 14.885 1.960 ( 0.000 -8.999 -0.763) 9.032 1.960 ( 0.000 8.999 -0.763) 9.032 2.289 ( 0.000 -0.888 3.110) 3.235 2.289 ( 0.000 0.888 3.110) 3.235 2.443 ( 0.000 -19.971 11.744) 23.168 2.443 ( 0.000 19.971 11.744) 23.168 2.882 ( 0.000 -6.189 1.151) 6.295 2.882 ( 0.000 6.189 1.151) 6.295 3.198 ( 0.000 -4.677 8.315) 9.540 3.198 ( 0.000 4.677 8.315) 9.540 3.330 ( 0.000 -6.003 13.054) 14.368 3.330 ( 0.000 6.003 13.054) 14.368 3.474 ( 0.000 -2.378 10.514) 10.780 3.474 ( 0.000 2.378 10.514) 10.780 4.288 ( 0.000 -6.981 11.895) 13.792 4.288 ( 0.000 6.981 11.895) 13.792 4.562 ( 0.000 -6.695 -6.877) 9.597 4.562 ( 0.000 6.695 -6.877) 9.597 4.827 ( 0.000 -22.338 2.616) 22.491 4.827 ( 0.000 22.338 2.616) 22.491 5.171 ( 0.000 -0.348 -1.497) 1.537 5.171 ( 0.000 0.348 -1.497) 1.537 5.500 ( 0.000 -14.657 -9.624) 17.534 5.500 ( 0.000 14.657 -9.624) 17.534 5.845 ( 0.000 -6.680 4.579) 8.099 5.845 ( 0.000 6.680 4.579) 8.099 6.025 ( 0.000 -6.423 14.093) 15.488 6.025 ( 0.000 6.423 14.093) 15.488 6.627 ( 0.000 -7.432 9.200) 11.827 6.627 ( 0.000 7.432 9.200) 11.827 7.164 ( 0.000 -9.661 -13.685) 16.751 7.164 ( 0.000 9.661 -13.685) 16.751 7.517 ( 0.000 -12.972 4.451) 13.714 7.517 ( 0.000 12.972 4.451) 13.714 8.136 ( 0.000 -5.814 -4.020) 7.068 8.136 ( 0.000 5.814 -4.020) 7.068 8.452 ( 0.000 -4.367 -2.571) 5.068 8.452 ( 0.000 4.367 -2.571) 5.068 9.074 ( 0.000 -3.903 -3.819) 5.461 9.074 ( 0.000 3.903 -3.819) 5.461 9.228 ( 0.000 -3.703 5.233) 6.410 9.228 ( 0.000 3.703 5.233) 6.410 9.773 ( 0.000 -7.764 -8.361) 11.410 9.773 ( 0.000 7.764 -8.361) 11.410 10.216 ( 0.000 -15.606 -9.318) 18.176 10.216 ( 0.000 15.606 -9.318) 18.176 10.395 ( 0.000 -11.885 -1.376) 11.965 10.395 ( 0.000 11.885 -1.376) 11.965 10.570 ( 0.000 -8.102 1.457) 8.232 10.570 ( 0.000 8.102 1.457) 8.232 10.648 ( 0.000 -2.874 5.129) 5.879 10.648 ( 0.000 2.874 5.129) 5.879 11.077 ( 0.000 -0.553 4.955) 4.986 11.077 ( 0.000 0.553 4.955) 4.986 11.872 ( 0.000 -9.071 -1.487) 9.192 11.872 ( 0.000 9.071 -1.487) 9.192 11.964 ( 0.000 -12.639 2.700) 12.924 11.964 ( 0.000 12.639 2.700) 12.924 12.159 ( 0.000 -12.960 -3.677) 13.471 12.159 ( 0.000 12.960 -3.677) 13.471 12.792 ( 0.000 -13.694 -15.041) 20.341 12.792 ( 0.000 13.694 -15.041) 20.341 13.320 ( 0.000 -4.221 10.413) 11.236 13.320 ( 0.000 4.221 10.413) 11.236 13.395 ( 0.000 -0.778 -0.308) 0.837 13.395 ( 0.000 0.778 -0.308) 0.837 13.643 ( 0.000 -11.205 4.071) 11.921 13.643 ( 0.000 11.205 4.071) 11.921 14.430 ( 0.000 -12.631 -6.187) 14.065 14.430 ( 0.000 12.631 -6.187) 14.065 14.771 ( 0.000 -9.159 -26.870) 28.388 14.771 ( 0.000 9.159 -26.870) 28.388 15.177 ( 0.000 -5.035 -16.083) 16.853 15.177 ( 0.000 5.035 -16.083) 16.853 15.671 ( 0.000 -4.973 1.178) 5.111 15.671 ( 0.000 4.973 1.178) 5.111 15.931 ( 0.000 -6.731 7.705) 10.231 15.931 ( 0.000 6.731 7.705) 10.231 16.328 ( 0.000 -0.688 -11.394) 11.415 16.328 ( 0.000 0.688 -11.394) 11.415 16.612 ( 0.000 -11.810 5.145) 12.882 16.612 ( 0.000 11.810 5.145) 12.882 18.174 ( 0.000 -6.800 0.864) 6.855 18.174 ( 0.000 6.800 0.864) 6.855 19.500 ( 0.000 -7.681 -6.803) 10.260 19.500 ( 0.000 7.681 -6.803) 10.260 19.671 ( 0.000 -3.073 1.040) 3.245 19.671 ( 0.000 3.073 1.040) 3.245 20.009 ( 0.000 -5.805 19.690) 20.528 20.009 ( 0.000 5.805 19.690) 20.528 20.183 ( 0.000 -4.062 -1.955) 4.508 20.183 ( 0.000 4.062 -1.955) 4.508 21.356 ( 0.000 -5.353 -3.022) 6.147 21.356 ( 0.000 5.353 -3.022) 6.147 21.484 ( 0.000 -9.942 -3.468) 10.529 21.484 ( 0.000 9.942 -3.468) 10.529 21.817 ( 0.000 -3.921 8.539) 9.396 21.817 ( 0.000 3.921 8.539) 9.396 21.966 ( 0.000 -3.257 -5.490) 6.383 21.966 ( 0.000 3.257 -5.490) 6.383 22.483 ( 0.000 -9.969 8.810) 13.304 22.483 ( 0.000 9.969 8.810) 13.304 23.062 ( 0.000 -8.356 2.190) 8.639 23.062 ( 0.000 8.356 2.190) 8.639 23.439 ( 0.000 -9.228 7.519) 11.903 23.439 ( 0.000 9.228 7.519) 11.903 23.667 ( 0.000 -5.037 7.546) 9.073 23.667 ( 0.000 5.037 7.546) 9.073 23.920 ( 0.000 -2.886 7.215) 7.771 23.920 ( 0.000 2.886 7.215) 7.771 24.538 ( 0.000 -13.254 0.238) 13.256 24.538 ( 0.000 13.254 0.238) 13.256 26.239 ( 0.000 -0.619 -2.502) 2.577 26.239 ( 0.000 0.619 -2.502) 2.577 27.162 ( 0.000 -4.229 -17.038) 17.555 27.162 ( 0.000 4.229 -17.038) 17.555 27.604 ( 0.000 -2.521 5.196) 5.775 27.604 ( 0.000 2.521 5.196) 5.775 27.669 ( 0.000 -6.856 6.424) 9.395 27.669 ( 0.000 6.856 6.424) 9.395 28.168 ( 0.000 -2.104 -3.618) 4.185 28.168 ( 0.000 2.104 -3.618) 4.185 28.189 ( 0.000 -2.909 6.113) 6.770 28.189 ( 0.000 2.909 6.113) 6.770 28.379 ( 0.000 -1.717 2.500) 3.033 28.379 ( 0.000 1.717 2.500) 3.033 28.858 ( 0.000 -6.830 -0.472) 6.846 28.858 ( 0.000 6.830 -0.472) 6.846 28.958 ( 0.000 -4.199 2.094) 4.692 28.958 ( 0.000 4.199 2.094) 4.692 29.365 ( 0.000 -10.096 -1.055) 10.151 29.365 ( 0.000 10.096 -1.055) 10.151 29.585 ( 0.000 -8.672 7.768) 11.643 29.585 ( 0.000 8.672 7.768) 11.643 29.636 ( 0.000 -8.225 3.677) 9.009 29.636 ( 0.000 8.225 3.677) 9.009 30.862 ( 0.000 -2.871 -13.220) 13.528 30.862 ( 0.000 2.871 -13.220) 13.528 32.126 ( 0.000 -17.014 -0.365) 17.018 32.126 ( 0.000 17.014 -0.365) 17.018 ======================= Grid point 37 (17/54) ======================= q-point: ( 0.20 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 8.059 -16.967 8.265) 20.521 1.719 ( 8.059 16.967 8.265) 20.521 1.781 ( 8.238 -17.184 7.754) 20.574 1.781 ( 8.238 17.184 7.754) 20.574 1.998 ( 3.102 -7.136 -0.178) 7.783 1.998 ( 3.102 7.136 -0.178) 7.783 2.256 ( -2.860 -1.937 3.410) 4.854 2.256 ( -2.860 1.937 3.410) 4.854 2.567 ( 8.796 -12.935 6.392) 16.898 2.567 ( 8.796 12.935 6.392) 16.898 2.853 ( -2.475 -4.769 1.011) 5.467 2.853 ( -2.475 4.769 1.011) 5.467 3.300 ( 6.658 -6.815 8.532) 12.789 3.300 ( 6.658 6.815 8.532) 12.789 3.383 ( 5.481 -7.772 14.070) 16.983 3.383 ( 5.481 7.772 14.070) 16.983 3.604 ( 14.103 -3.370 13.378) 19.729 3.604 ( 14.103 3.370 13.378) 19.729 4.153 ( -11.580 -11.213 9.592) 18.757 4.153 ( -11.580 11.213 9.592) 18.757 4.541 ( -3.813 -8.239 -3.647) 9.784 4.541 ( -3.813 8.239 -3.647) 9.784 4.779 ( 0.955 -14.935 3.886) 15.461 4.779 ( 0.955 14.935 3.886) 15.461 5.153 ( -2.633 -1.906 -0.228) 3.258 5.153 ( -2.633 1.906 -0.228) 3.258 5.640 ( 12.445 -13.935 -7.821) 20.254 5.640 ( 12.445 13.935 -7.821) 20.254 5.830 ( -1.114 -9.341 2.713) 9.791 5.830 ( -1.114 9.341 2.713) 9.791 6.219 ( 10.724 -5.846 8.480) 14.869 6.219 ( 10.724 5.846 8.480) 14.869 6.373 ( -15.195 -14.489 8.675) 22.717 6.373 ( -15.195 14.489 8.675) 22.717 7.174 ( -1.758 -15.185 -6.666) 16.677 7.174 ( -1.758 15.185 -6.666) 16.677 7.417 ( -8.934 -5.627 2.217) 10.789 7.417 ( -8.934 5.627 2.217) 10.789 8.203 ( -2.030 -3.889 -1.123) 4.528 8.203 ( -2.030 3.889 -1.123) 4.528 8.418 ( 4.030 -5.495 -5.101) 8.512 8.418 ( 4.030 5.495 -5.101) 8.512 9.073 ( -2.253 -8.359 -3.018) 9.168 9.073 ( -2.253 8.359 -3.018) 9.168 9.148 ( -6.676 -9.502 0.454) 11.621 9.148 ( -6.676 9.502 0.454) 11.621 9.643 ( -3.207 -9.905 -6.097) 12.065 9.643 ( -3.207 9.905 -6.097) 12.065 10.087 ( -17.932 -10.760 -0.899) 20.931 10.087 ( -17.932 10.760 -0.899) 20.931 10.313 ( -3.852 -13.477 -5.694) 15.129 10.313 ( -3.852 13.477 -5.694) 15.129 10.644 ( 10.118 -10.806 2.325) 14.984 10.644 ( 10.118 10.806 2.325) 14.984 10.821 ( 7.890 -4.980 2.795) 9.740 10.821 ( 7.890 4.980 2.795) 9.740 11.173 ( 9.642 -3.328 2.448) 10.490 11.173 ( 9.642 3.328 2.448) 10.490 11.850 ( -2.386 -12.483 -1.902) 12.851 11.850 ( -2.386 12.483 -1.902) 12.851 11.912 ( -2.475 -10.171 2.036) 10.664 11.912 ( -2.475 10.171 2.036) 10.664 12.203 ( 2.492 -7.473 -1.318) 7.987 12.203 ( 2.492 7.473 -1.318) 7.987 12.754 ( -4.752 -18.483 -10.915) 21.985 12.754 ( -4.752 18.483 -10.915) 21.985 13.082 ( -13.884 -16.402 5.557) 22.196 13.082 ( -13.884 16.402 5.557) 22.196 13.477 ( 8.048 -7.091 -4.233) 11.531 13.477 ( 8.048 7.091 -4.233) 11.531 13.903 ( 14.863 -12.742 5.107) 20.232 13.903 ( 14.863 12.742 5.107) 20.232 14.315 ( -5.359 -14.440 -12.477) 19.822 14.315 ( -5.359 14.440 -12.477) 19.822 14.900 ( 7.549 -14.313 -12.388) 20.379 14.900 ( 7.549 14.313 -12.388) 20.379 15.228 ( 2.054 -7.128 -11.832) 13.965 15.228 ( 2.054 7.128 -11.832) 13.965 15.568 ( -4.248 -6.225 -2.859) 8.060 15.568 ( -4.248 6.225 -2.859) 8.060 16.008 ( 0.736 -5.227 -6.669) 8.506 16.008 ( 0.736 5.227 -6.669) 8.506 16.251 ( -4.324 -6.958 -8.617) 11.889 16.251 ( -4.324 6.958 -8.617) 11.889 16.698 ( 10.476 -8.250 13.171) 18.742 16.698 ( 10.476 8.250 13.171) 18.742 18.034 ( -14.246 -7.274 3.522) 16.379 18.034 ( -14.246 7.274 3.522) 16.379 19.528 ( 2.548 -6.828 -7.277) 10.299 19.528 ( 2.548 6.828 -7.277) 10.299 19.674 ( -0.013 -3.120 -0.296) 3.134 19.674 ( -0.013 3.120 -0.296) 3.134 19.952 ( -3.501 -3.659 14.437) 15.300 19.952 ( -3.501 3.659 14.437) 15.300 20.134 ( -5.136 -4.599 -0.391) 6.905 20.134 ( -5.136 4.599 -0.391) 6.905 21.319 ( 0.683 -7.738 -3.120) 8.371 21.319 ( 0.683 7.738 -3.120) 8.371 21.646 ( -2.445 -6.945 -2.181) 7.679 21.646 ( -2.445 6.945 -2.181) 7.679 21.864 ( 17.271 -9.973 1.198) 19.979 21.864 ( 17.271 9.973 1.198) 19.979 22.047 ( 5.883 -7.145 -0.713) 9.283 22.047 ( 5.883 7.145 -0.713) 9.283 22.427 ( -3.829 -8.583 9.137) 13.107 22.427 ( -3.829 8.583 9.137) 13.107 23.002 ( -6.033 -10.660 1.868) 12.390 23.002 ( -6.033 10.660 1.868) 12.390 23.562 ( 9.602 -8.504 7.258) 14.738 23.562 ( 9.602 8.504 7.258) 14.738 23.725 ( 5.689 -5.825 5.422) 9.782 23.725 ( 5.689 5.825 5.422) 9.782 23.921 ( 0.208 -5.713 8.104) 9.918 23.921 ( 0.208 5.713 8.104) 9.918 24.459 ( -7.536 -12.884 0.786) 14.946 24.459 ( -7.536 12.884 0.786) 14.946 26.290 ( 5.131 -1.452 -2.899) 6.069 26.290 ( 5.131 1.452 -2.899) 6.069 27.045 ( -11.615 -5.023 -14.784) 19.461 27.045 ( -11.615 5.023 -14.784) 19.461 27.615 ( 1.353 -2.039 4.360) 5.000 27.615 ( 1.353 2.039 4.360) 5.000 27.680 ( 1.076 -4.825 6.082) 7.838 27.680 ( 1.076 4.825 6.082) 7.838 28.150 ( -0.553 -3.353 -0.229) 3.406 28.150 ( -0.553 3.353 -0.229) 3.406 28.204 ( 0.154 -1.603 3.750) 4.081 28.204 ( 0.154 1.603 3.750) 4.081 28.389 ( 1.604 -1.386 1.183) 2.428 28.389 ( 1.604 1.386 1.183) 2.428 28.774 ( -7.475 -2.661 -1.675) 8.110 28.774 ( -7.475 2.661 -1.675) 8.110 28.972 ( 0.830 -4.213 4.641) 6.323 28.972 ( 0.830 4.213 4.641) 6.323 29.181 ( -11.768 -3.312 12.141) 17.230 29.181 ( -11.768 3.312 12.141) 17.230 29.457 ( -1.155 -10.994 -1.062) 11.105 29.457 ( -1.155 10.994 -1.062) 11.105 29.719 ( -2.979 -19.651 0.834) 19.893 29.719 ( -2.979 19.651 0.834) 19.893 31.128 ( 20.900 -17.652 -10.990) 29.483 31.128 ( 20.900 17.652 -10.990) 29.483 32.058 ( -6.589 -17.536 -1.508) 18.794 32.058 ( -6.589 17.536 -1.508) 18.794 ======================= Grid point 39 (18/54) ======================= q-point: ( 0.40 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 6.981 -8.959 2.599) 11.651 1.895 ( 6.981 8.959 2.599) 11.651 1.926 ( 4.117 -11.695 2.731) 12.696 1.926 ( 4.117 11.695 2.731) 12.696 2.071 ( 4.110 -6.549 1.516) 7.879 2.071 ( 4.110 6.549 1.516) 7.879 2.172 ( -5.216 -3.831 2.643) 6.991 2.172 ( -5.216 3.831 2.643) 6.991 2.699 ( 4.300 -2.670 1.240) 5.211 2.699 ( 4.300 2.670 1.240) 5.211 2.784 ( -4.162 -3.090 1.152) 5.310 2.784 ( -4.162 3.090 1.152) 5.310 3.462 ( 9.299 -10.832 13.790) 19.848 3.462 ( 9.299 10.832 13.790) 19.848 3.520 ( 5.903 -8.029 18.070) 20.635 3.520 ( 5.903 8.029 18.070) 20.635 3.828 ( 0.478 -16.539 9.570) 19.114 3.828 ( 0.478 16.539 9.570) 19.114 3.898 ( -10.761 -16.912 7.816) 21.516 3.898 ( -10.761 16.912 7.816) 21.516 4.617 ( 17.669 -12.985 -1.821) 22.003 4.617 ( 17.669 12.985 -1.821) 22.003 4.881 ( 1.395 -1.671 -1.244) 2.508 4.881 ( 1.395 1.671 -1.244) 2.508 5.104 ( 2.924 -3.269 3.842) 5.831 5.104 ( 2.924 3.269 3.842) 5.831 5.480 ( -26.941 -3.475 1.788) 27.223 5.480 ( -26.941 3.475 1.788) 27.223 5.978 ( 13.528 -14.953 -0.356) 20.167 5.978 ( 13.528 14.953 -0.356) 20.167 6.139 ( -3.125 -8.505 7.575) 11.810 6.139 ( -3.125 8.505 7.575) 11.810 6.561 ( 16.437 -16.445 1.586) 23.305 6.561 ( 16.437 16.445 1.586) 23.305 6.938 ( -19.025 -25.112 1.197) 31.528 6.938 ( -19.025 25.112 1.197) 31.528 7.434 ( 12.670 -7.058 -1.064) 14.543 7.434 ( 12.670 7.058 -1.064) 14.543 7.845 ( -24.349 -1.257 2.961) 24.560 7.845 ( -24.349 1.257 2.961) 24.560 8.720 ( 15.569 -3.163 -11.483) 19.603 8.720 ( 15.569 3.163 -11.483) 19.603 8.931 ( -8.005 -6.434 -8.565) 13.373 8.931 ( -8.005 6.434 -8.565) 13.373 9.154 ( 8.954 -7.092 3.063) 11.826 9.154 ( 8.954 7.092 3.063) 11.826 9.503 ( -19.194 -13.723 -2.697) 23.748 9.503 ( -19.194 13.723 -2.697) 23.748 9.901 ( 7.576 -9.476 1.862) 12.274 9.901 ( 7.576 9.476 1.862) 12.274 10.139 ( -12.065 -15.522 -2.422) 19.808 10.139 ( -12.065 15.522 -2.422) 19.808 10.840 ( 7.294 -5.785 0.505) 9.324 10.840 ( 7.294 5.785 0.505) 9.324 10.911 ( 0.573 -4.510 1.642) 4.833 10.911 ( 0.573 4.510 1.642) 4.833 11.432 ( 14.273 -4.932 -0.030) 15.101 11.432 ( 14.273 4.932 -0.030) 15.101 11.700 ( -11.041 -9.297 -0.713) 14.452 11.700 ( -11.041 9.297 -0.713) 14.452 11.986 ( 8.088 -11.741 0.071) 14.257 11.986 ( 8.088 11.741 0.071) 14.257 12.168 ( -7.186 -12.450 0.191) 14.376 12.168 ( -7.186 12.450 0.191) 14.376 12.691 ( 2.210 -21.980 -4.504) 22.545 12.691 ( 2.210 21.980 -4.504) 22.545 12.837 ( -10.350 -19.795 0.434) 22.342 12.837 ( -10.350 19.795 0.434) 22.342 13.698 ( 12.304 -9.295 -8.692) 17.701 13.698 ( 12.304 9.295 -8.692) 17.701 13.933 ( -9.445 -9.384 -8.180) 15.627 13.933 ( -9.445 9.384 -8.180) 15.627 14.487 ( 19.032 -15.958 -0.051) 24.837 14.487 ( 19.032 15.958 -0.051) 24.837 14.856 ( -13.743 -16.801 1.492) 21.757 14.856 ( -13.743 16.801 1.492) 21.757 15.307 ( 9.213 -0.646 -8.118) 12.297 15.307 ( 9.213 0.646 -8.118) 12.297 15.504 ( -6.829 -2.858 -8.810) 11.507 15.504 ( -6.829 2.858 -8.810) 11.507 16.007 ( 4.409 -9.362 -14.469) 17.788 16.007 ( 4.409 9.362 -14.469) 17.788 16.152 ( -7.003 -13.552 -13.153) 20.142 16.152 ( -7.003 13.552 -13.153) 20.142 17.077 ( 24.868 -5.511 16.825) 30.526 17.077 ( 24.868 5.511 16.825) 30.526 17.613 ( -25.492 -6.516 10.438) 28.307 17.613 ( -25.492 6.516 10.438) 28.307 19.593 ( 3.509 -4.472 -6.603) 8.713 19.593 ( 3.509 4.472 -6.603) 8.713 19.654 ( -2.134 -2.637 -3.532) 4.897 19.654 ( -2.134 2.637 -3.532) 4.897 19.925 ( 1.415 -4.038 7.732) 8.837 19.925 ( 1.415 4.038 7.732) 8.837 20.007 ( -6.069 -4.730 2.079) 7.970 20.007 ( -6.069 4.730 2.079) 7.970 21.382 ( 5.021 -11.063 -1.901) 12.297 21.382 ( 5.021 11.063 -1.901) 12.297 21.511 ( -7.319 -11.161 -0.802) 13.371 21.511 ( -7.319 11.161 -0.802) 13.371 22.134 ( 5.628 -7.065 -0.323) 9.038 22.134 ( 5.628 7.065 -0.323) 9.038 22.201 ( 1.843 -7.620 0.810) 7.882 22.201 ( 1.843 7.620 0.810) 7.882 22.482 ( 14.765 -9.638 4.639) 18.232 22.482 ( 14.765 9.638 4.639) 18.232 22.807 ( -13.328 -13.896 1.187) 19.291 22.807 ( -13.328 13.896 1.187) 19.291 23.734 ( 6.627 -8.306 7.654) 13.096 23.734 ( 6.627 8.306 7.654) 13.096 23.821 ( -0.641 -7.610 4.026) 8.634 23.821 ( -0.641 7.610 4.026) 8.634 23.997 ( 10.276 -9.194 6.712) 15.335 23.997 ( 10.276 9.194 6.712) 15.335 24.249 ( -12.353 -11.567 2.521) 17.110 24.249 ( -12.353 11.567 2.521) 17.110 26.455 ( 11.198 -2.841 -4.605) 12.436 26.455 ( 11.198 2.841 -4.605) 12.436 26.740 ( -16.075 -4.053 -8.718) 18.730 26.740 ( -16.075 4.053 -8.718) 18.730 27.660 ( 2.572 -1.966 3.322) 4.639 27.660 ( 2.572 1.966 3.322) 4.639 27.694 ( -0.319 -2.678 4.335) 5.105 27.694 ( -0.319 2.678 4.335) 5.105 28.158 ( 1.270 -3.164 1.571) 3.754 28.158 ( 1.270 3.164 1.571) 3.754 28.189 ( -1.363 -2.008 3.036) 3.887 28.189 ( -1.363 2.008 3.036) 3.887 28.463 ( 5.610 -0.953 0.091) 5.691 28.463 ( 5.610 0.953 0.091) 5.691 28.605 ( -8.059 -2.330 0.024) 8.389 28.605 ( -8.059 2.330 0.024) 8.389 28.988 ( 1.036 -4.048 7.767) 8.820 28.988 ( 1.036 4.048 7.767) 8.820 29.033 ( -3.859 -3.993 10.594) 11.961 29.033 ( -3.859 3.993 10.594) 11.961 29.480 ( 3.368 -13.666 -0.843) 14.100 29.480 ( 3.368 13.666 -0.843) 14.100 29.593 ( -7.201 -18.570 0.357) 19.920 29.593 ( -7.201 18.570 0.357) 19.920 31.547 ( 18.552 -22.434 -7.565) 30.078 31.547 ( 18.552 22.434 -7.565) 30.078 31.863 ( -12.486 -19.698 -4.228) 23.702 31.863 ( -12.486 19.698 -4.228) 23.702 ======================= Grid point 50 (19/54) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 0.000 27.220) 27.220 1.464 ( 0.000 0.000 31.733) 31.733 1.827 ( 0.000 0.000 1.923) 1.923 2.069 ( 0.000 0.000 7.469) 7.469 2.074 ( 0.000 0.000 -1.472) 1.472 2.268 ( 0.000 0.000 1.491) 1.491 2.317 ( 0.000 0.000 33.131) 33.131 2.376 ( 0.000 0.000 8.320) 8.320 2.493 ( 0.000 0.000 5.315) 5.315 2.589 ( 0.000 0.000 -13.824) 13.824 2.730 ( 0.000 0.000 4.223) 4.223 2.764 ( 0.000 0.000 -2.128) 2.128 2.910 ( 0.000 0.000 -7.061) 7.061 3.254 ( 0.000 0.000 9.573) 9.573 3.915 ( 0.000 0.000 18.774) 18.774 4.015 ( 0.000 0.000 22.165) 22.165 4.107 ( 0.000 0.000 3.023) 3.023 4.155 ( 0.000 0.000 17.848) 17.848 4.280 ( 0.000 0.000 11.021) 11.021 4.466 ( 0.000 0.000 -11.332) 11.332 4.590 ( 0.000 0.000 3.523) 3.523 4.606 ( 0.000 0.000 10.265) 10.265 4.634 ( 0.000 0.000 35.918) 35.918 4.997 ( 0.000 0.000 34.835) 34.835 5.236 ( 0.000 0.000 1.853) 1.853 5.469 ( 0.000 0.000 10.443) 10.443 5.540 ( 0.000 0.000 13.932) 13.932 5.545 ( 0.000 0.000 -9.108) 9.108 5.651 ( 0.000 0.000 -14.590) 14.590 5.863 ( 0.000 0.000 1.283) 1.283 5.997 ( 0.000 0.000 -6.657) 6.657 6.270 ( 0.000 0.000 17.396) 17.396 6.665 ( 0.000 0.000 -9.307) 9.307 6.849 ( 0.000 0.000 3.665) 3.665 6.870 ( 0.000 0.000 1.792) 1.792 7.313 ( 0.000 0.000 13.394) 13.394 7.609 ( 0.000 0.000 -15.232) 15.232 7.636 ( 0.000 0.000 6.122) 6.122 8.041 ( 0.000 0.000 -9.126) 9.126 8.191 ( 0.000 0.000 -13.666) 13.666 8.223 ( 0.000 0.000 -8.391) 8.391 8.547 ( 0.000 0.000 12.464) 12.464 8.802 ( 0.000 0.000 4.145) 4.145 9.033 ( 0.000 0.000 -5.333) 5.333 9.280 ( 0.000 0.000 -0.859) 0.859 9.309 ( 0.000 0.000 6.294) 6.294 9.630 ( 0.000 0.000 8.820) 8.820 9.857 ( 0.000 0.000 -3.897) 3.897 9.904 ( 0.000 0.000 -1.170) 1.170 9.904 ( 0.000 0.000 -0.139) 0.139 10.141 ( 0.000 0.000 -14.012) 14.012 10.252 ( 0.000 0.000 -16.542) 16.542 10.297 ( 0.000 0.000 2.063) 2.063 10.853 ( 0.000 0.000 -0.898) 0.898 10.908 ( 0.000 0.000 -1.756) 1.756 10.944 ( 0.000 0.000 6.601) 6.601 10.979 ( 0.000 0.000 -8.446) 8.446 11.209 ( 0.000 0.000 -13.097) 13.097 11.491 ( 0.000 0.000 4.008) 4.008 11.705 ( 0.000 0.000 2.894) 2.894 12.228 ( 0.000 0.000 -1.072) 1.072 12.303 ( 0.000 0.000 -0.046) 0.046 12.334 ( 0.000 0.000 10.332) 10.332 12.453 ( 0.000 0.000 10.589) 10.589 12.569 ( 0.000 0.000 -6.405) 6.405 12.690 ( 0.000 0.000 5.357) 5.357 12.857 ( 0.000 0.000 -10.814) 10.814 12.959 ( 0.000 0.000 -5.532) 5.532 13.217 ( 0.000 0.000 -7.839) 7.839 13.369 ( 0.000 0.000 -2.070) 2.070 13.751 ( 0.000 0.000 4.713) 4.713 13.818 ( 0.000 0.000 -6.096) 6.096 13.876 ( 0.000 0.000 -26.068) 26.068 14.281 ( 0.000 0.000 -5.487) 5.487 14.459 ( 0.000 0.000 -17.302) 17.302 14.712 ( 0.000 0.000 -12.811) 12.811 14.722 ( 0.000 0.000 -19.654) 19.654 14.871 ( 0.000 0.000 -8.117) 8.117 15.479 ( 0.000 0.000 -18.216) 18.216 15.620 ( 0.000 0.000 -2.132) 2.132 15.858 ( 0.000 0.000 -11.022) 11.022 15.916 ( 0.000 0.000 -16.793) 16.793 16.053 ( 0.000 0.000 -19.421) 19.421 16.434 ( 0.000 0.000 17.511) 17.511 16.663 ( 0.000 0.000 12.371) 12.371 17.052 ( 0.000 0.000 13.870) 13.870 17.849 ( 0.000 0.000 -13.370) 13.370 18.234 ( 0.000 0.000 -17.914) 17.914 19.124 ( 0.000 0.000 -7.717) 7.717 19.580 ( 0.000 0.000 -16.729) 16.729 19.784 ( 0.000 0.000 -12.209) 12.209 19.793 ( 0.000 0.000 5.467) 5.467 19.806 ( 0.000 0.000 10.016) 10.016 20.285 ( 0.000 0.000 19.948) 19.948 20.420 ( 0.000 0.000 8.906) 8.906 20.879 ( 0.000 0.000 2.312) 2.312 21.112 ( 0.000 0.000 -6.983) 6.983 21.216 ( 0.000 0.000 2.872) 2.872 21.439 ( 0.000 0.000 1.239) 1.239 21.466 ( 0.000 0.000 -4.620) 4.620 21.771 ( 0.000 0.000 6.057) 6.057 21.804 ( 0.000 0.000 1.445) 1.445 22.214 ( 0.000 0.000 -9.981) 9.981 22.338 ( 0.000 0.000 12.540) 12.540 22.384 ( 0.000 0.000 11.620) 11.620 22.928 ( 0.000 0.000 10.005) 10.005 22.950 ( 0.000 0.000 5.424) 5.424 23.212 ( 0.000 0.000 6.986) 6.986 23.235 ( 0.000 0.000 4.593) 4.593 23.749 ( 0.000 0.000 16.604) 16.604 23.836 ( 0.000 0.000 0.071) 0.071 23.980 ( 0.000 0.000 8.040) 8.040 24.093 ( 0.000 0.000 7.931) 7.931 24.168 ( 0.000 0.000 5.425) 5.425 24.493 ( 0.000 0.000 17.585) 17.585 24.849 ( 0.000 0.000 -2.865) 2.865 26.018 ( 0.000 0.000 -8.737) 8.737 26.072 ( 0.000 0.000 -3.016) 3.016 26.504 ( 0.000 0.000 -0.619) 0.619 26.813 ( 0.000 0.000 -6.908) 6.908 27.643 ( 0.000 0.000 -5.562) 5.562 27.656 ( 0.000 0.000 9.096) 9.096 27.781 ( 0.000 0.000 3.258) 3.258 27.940 ( 0.000 0.000 0.288) 0.288 28.074 ( 0.000 0.000 8.531) 8.531 28.125 ( 0.000 0.000 -0.329) 0.329 28.180 ( 0.000 0.000 -3.253) 3.253 28.313 ( 0.000 0.000 12.076) 12.076 28.432 ( 0.000 0.000 5.875) 5.875 28.503 ( 0.000 0.000 0.348) 0.348 28.744 ( 0.000 0.000 6.055) 6.055 28.951 ( 0.000 0.000 -0.596) 0.596 28.955 ( 0.000 0.000 4.666) 4.666 29.093 ( 0.000 0.000 4.284) 4.284 29.097 ( 0.000 0.000 -1.730) 1.730 29.366 ( 0.000 0.000 11.108) 11.108 29.629 ( 0.000 0.000 3.708) 3.708 29.660 ( 0.000 0.000 9.003) 9.003 29.818 ( 0.000 0.000 2.275) 2.275 30.066 ( 0.000 0.000 11.314) 11.314 30.535 ( 0.000 0.000 -13.984) 13.984 30.835 ( 0.000 0.000 -1.662) 1.662 31.553 ( 0.000 0.000 -4.436) 4.436 32.514 ( 0.000 0.000 -14.843) 14.843 ======================= Grid point 51 (20/54) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 13.141 0.000 20.408) 24.272 1.606 ( 11.581 0.000 21.798) 24.684 1.826 ( -0.194 0.000 1.647) 1.658 2.105 ( 1.959 0.000 3.479) 3.992 2.110 ( 3.505 0.000 -2.339) 4.213 2.254 ( -3.074 0.000 -0.011) 3.074 2.347 ( -1.700 0.000 7.396) 7.589 2.469 ( 12.225 0.000 19.906) 23.361 2.510 ( -6.207 0.000 -10.627) 12.307 2.520 ( 4.006 0.000 9.288) 10.115 2.754 ( 0.287 0.000 2.412) 2.429 2.807 ( 6.814 0.000 5.388) 8.687 2.919 ( -0.314 0.000 -6.128) 6.136 3.433 ( 15.572 0.000 9.727) 18.360 3.793 ( -12.107 0.000 11.341) 16.589 4.116 ( -0.854 0.000 15.860) 15.883 4.138 ( 18.605 0.000 23.564) 30.024 4.279 ( -0.110 0.000 5.340) 5.341 4.298 ( -3.561 0.000 22.544) 22.824 4.497 ( 1.123 0.000 -9.805) 9.869 4.591 ( -4.795 0.000 13.539) 14.363 4.615 ( 5.037 0.000 5.405) 7.388 4.661 ( 16.803 0.000 30.775) 35.063 4.977 ( 0.746 0.000 23.736) 23.748 5.249 ( 1.277 0.000 2.292) 2.624 5.396 ( -9.019 0.000 -10.002) 13.467 5.450 ( -3.444 0.000 10.461) 11.014 5.565 ( 0.163 0.000 13.709) 13.710 5.721 ( -9.530 0.000 6.941) 11.790 5.813 ( 8.580 0.000 -7.861) 11.636 5.952 ( -0.277 0.000 -8.279) 8.284 6.437 ( -0.434 0.000 7.809) 7.821 6.625 ( -4.557 0.000 6.628) 8.044 6.652 ( -13.259 0.000 8.358) 15.673 6.758 ( 2.297 0.000 -5.708) 6.153 7.377 ( 4.658 0.000 4.850) 6.724 7.673 ( 3.438 0.000 7.177) 7.958 7.780 ( 15.699 0.000 -11.182) 19.275 7.933 ( -18.653 0.000 -4.332) 19.150 8.080 ( 1.161 0.000 -13.125) 13.176 8.386 ( 10.818 0.000 -8.979) 14.059 8.544 ( -7.137 0.000 7.634) 10.451 8.733 ( -10.641 0.000 -0.107) 10.641 8.986 ( -13.034 0.000 2.846) 13.341 8.996 ( -2.593 0.000 -1.671) 3.085 9.315 ( 1.156 0.000 -1.830) 2.165 9.506 ( -10.593 0.000 7.672) 13.079 9.791 ( -17.974 0.000 -14.149) 22.875 9.851 ( -4.263 0.000 -0.630) 4.310 9.885 ( -3.050 0.000 -4.103) 5.112 10.192 ( 17.056 0.000 -4.952) 17.761 10.236 ( 1.861 0.000 1.783) 2.577 10.416 ( 7.980 0.000 -9.829) 12.660 10.830 ( -5.377 0.000 0.238) 5.382 10.964 ( -0.464 0.000 4.686) 4.708 10.997 ( 1.653 0.000 -4.574) 4.864 11.059 ( 9.194 0.000 -4.803) 10.373 11.164 ( -2.359 0.000 -5.797) 6.258 11.537 ( 5.460 0.000 -0.981) 5.548 11.640 ( -4.758 0.000 3.288) 5.784 12.048 ( -8.630 0.000 7.292) 11.298 12.136 ( -11.958 0.000 5.394) 13.118 12.442 ( 1.250 0.000 -3.595) 3.807 12.569 ( 3.917 0.000 7.047) 8.062 12.659 ( 13.387 0.000 1.355) 13.455 12.728 ( 1.631 0.000 -0.868) 1.848 12.823 ( -0.719 0.000 -3.729) 3.798 12.931 ( -0.602 0.000 -9.964) 9.982 13.250 ( -12.684 0.000 -0.902) 12.716 13.413 ( 12.792 0.000 -11.876) 17.455 13.652 ( -6.267 0.000 -12.312) 13.815 13.668 ( -0.602 0.000 3.641) 3.690 14.067 ( 9.656 0.000 -18.568) 20.929 14.193 ( -12.741 0.000 -12.244) 17.671 14.545 ( 15.575 0.000 -12.327) 19.863 14.806 ( 7.935 0.000 -11.501) 13.973 14.826 ( 9.022 0.000 -18.292) 20.396 15.147 ( 15.845 0.000 -8.552) 18.005 15.416 ( -6.134 0.000 -15.084) 16.283 15.548 ( -5.450 0.000 -7.376) 9.171 15.744 ( -9.692 0.000 -7.338) 12.156 15.767 ( -12.849 0.000 -9.622) 16.053 16.033 ( -0.201 0.000 -16.808) 16.809 16.444 ( -1.114 0.000 2.238) 2.500 16.811 ( 13.250 0.000 10.648) 16.998 17.211 ( 14.908 0.000 17.373) 22.893 17.765 ( -8.461 0.000 -10.152) 13.215 18.197 ( -4.850 0.000 -12.582) 13.484 19.151 ( 2.226 0.000 -10.971) 11.194 19.476 ( -10.229 0.000 -9.178) 13.743 19.660 ( -0.871 0.000 -16.541) 16.564 19.843 ( 3.483 0.000 10.305) 10.878 19.901 ( 0.910 0.000 2.151) 2.335 20.206 ( -6.400 0.000 17.881) 18.992 20.374 ( -3.531 0.000 10.102) 10.701 20.816 ( -20.560 0.000 14.250) 25.015 20.868 ( -0.673 0.000 1.745) 1.870 21.160 ( -2.074 0.000 -7.264) 7.554 21.410 ( 4.619 0.000 0.615) 4.659 21.755 ( 9.015 0.000 -8.639) 12.486 21.825 ( 2.549 0.000 -1.300) 2.861 21.827 ( 4.233 0.000 5.203) 6.707 22.174 ( -3.573 0.000 -9.942) 10.565 22.356 ( -3.492 0.000 10.883) 11.430 22.493 ( 13.081 0.000 8.316) 15.501 22.875 ( -5.508 0.000 6.992) 8.901 23.029 ( 8.821 0.000 10.377) 13.619 23.247 ( 2.824 0.000 8.769) 9.213 23.269 ( 4.134 0.000 -0.044) 4.135 23.765 ( 1.839 0.000 15.053) 15.165 23.798 ( -5.134 0.000 -3.151) 6.023 24.033 ( 6.476 0.000 6.608) 9.252 24.116 ( -4.938 0.000 5.815) 7.629 24.170 ( 5.909 0.000 10.904) 12.402 24.467 ( -1.759 0.000 16.238) 16.333 24.804 ( -4.773 0.000 -0.035) 4.773 26.039 ( 1.835 0.000 -7.744) 7.958 26.091 ( 1.628 0.000 -4.682) 4.956 26.489 ( -0.983 0.000 -0.294) 1.026 26.749 ( -5.828 0.000 -5.904) 8.295 27.640 ( -0.079 0.000 -4.654) 4.655 27.677 ( 1.814 0.000 8.490) 8.681 27.773 ( -0.774 0.000 3.555) 3.639 27.854 ( -7.225 0.000 -0.012) 7.225 28.117 ( 4.067 0.000 8.525) 9.446 28.137 ( 1.270 0.000 0.833) 1.519 28.194 ( 1.851 0.000 -0.038) 1.852 28.295 ( -1.719 0.000 10.580) 10.718 28.427 ( -0.308 0.000 4.279) 4.290 28.517 ( 1.558 0.000 0.981) 1.841 28.684 ( -5.470 0.000 5.219) 7.560 28.820 ( -6.886 0.000 1.897) 7.142 29.061 ( 4.722 0.000 3.104) 5.651 29.116 ( 1.821 0.000 -0.355) 1.855 29.137 ( 3.832 0.000 7.461) 8.388 29.341 ( -2.248 0.000 10.972) 11.200 29.441 ( -12.133 0.000 19.884) 23.293 29.491 ( -10.014 0.000 11.311) 15.107 29.745 ( -0.001 0.000 -2.344) 2.344 30.369 ( 22.099 0.000 5.833) 22.855 30.402 ( -12.012 0.000 -12.195) 17.117 31.297 ( 30.103 0.000 -15.725) 33.963 31.469 ( -8.246 0.000 -4.081) 9.200 32.418 ( -8.830 0.000 -14.123) 16.657 ======================= Grid point 52 (21/54) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 10.086 0.000 8.239) 13.023 1.805 ( -2.506 0.000 2.156) 3.306 1.858 ( 12.108 0.000 9.436) 15.350 2.071 ( -7.782 0.000 3.108) 8.380 2.215 ( 6.657 0.000 -4.510) 8.041 2.221 ( 2.844 0.000 1.778) 3.354 2.295 ( -3.334 0.000 3.628) 4.927 2.366 ( -7.638 0.000 -7.594) 10.770 2.581 ( 4.539 0.000 4.305) 6.256 2.660 ( -0.909 0.000 1.190) 1.498 2.816 ( 6.598 0.000 8.222) 10.542 2.900 ( -1.678 0.000 -2.269) 2.822 3.033 ( 16.165 0.000 12.189) 20.246 3.441 ( -21.569 0.000 14.008) 25.718 3.780 ( 15.695 0.000 17.136) 23.238 4.037 ( -9.124 0.000 23.154) 24.887 4.264 ( 4.486 0.000 21.381) 21.846 4.299 ( 6.556 0.000 7.686) 10.102 4.416 ( -7.700 0.000 10.599) 13.100 4.457 ( -5.662 0.000 -5.618) 7.977 4.648 ( 24.519 0.000 25.951) 35.702 4.831 ( 14.357 0.000 1.491) 14.435 5.019 ( 1.376 0.000 27.276) 27.311 5.091 ( 3.194 0.000 6.345) 7.104 5.171 ( -5.176 0.000 -6.170) 8.053 5.245 ( 2.884 0.000 -0.216) 2.892 5.366 ( -1.901 0.000 5.836) 6.138 5.440 ( -14.870 0.000 -0.024) 14.870 5.597 ( 2.217 0.000 11.747) 11.954 5.941 ( 10.694 0.000 12.486) 16.440 5.963 ( -27.494 0.000 14.044) 30.873 6.118 ( 3.068 0.000 0.823) 3.176 6.406 ( 1.148 0.000 4.269) 4.421 6.702 ( -13.390 0.000 1.333) 13.456 7.066 ( 31.915 0.000 -1.851) 31.969 7.485 ( 6.488 0.000 -5.528) 8.524 7.619 ( -7.802 0.000 -7.865) 11.078 7.765 ( -32.292 0.000 -7.548) 33.162 7.821 ( 10.256 0.000 12.385) 16.080 8.177 ( -22.743 0.000 11.885) 25.661 8.177 ( 19.919 0.000 -8.498) 21.656 8.426 ( -2.854 0.000 -10.348) 10.734 8.728 ( 7.568 0.000 -2.625) 8.010 8.863 ( -4.895 0.000 0.480) 4.918 9.084 ( 8.970 0.000 -2.647) 9.352 9.262 ( -6.804 0.000 -4.573) 8.198 9.288 ( -5.277 0.000 -0.089) 5.278 9.426 ( -15.259 0.000 -12.780) 19.903 9.774 ( -1.830 0.000 -4.375) 4.742 9.799 ( -3.847 0.000 -6.616) 7.653 10.458 ( 17.034 0.000 2.160) 17.170 10.520 ( 12.074 0.000 1.643) 12.185 10.568 ( 7.373 0.000 3.970) 8.374 10.727 ( -3.082 0.000 -5.943) 6.695 10.817 ( -16.123 0.000 -0.886) 16.147 10.865 ( -9.626 0.000 0.129) 9.627 11.159 ( 4.368 0.000 -8.982) 9.988 11.213 ( 0.359 0.000 -4.289) 4.304 11.628 ( 5.669 0.000 4.898) 7.491 11.714 ( 10.465 0.000 2.906) 10.861 11.851 ( -14.422 0.000 6.408) 15.782 11.902 ( -7.368 0.000 7.496) 10.510 12.493 ( 6.047 0.000 -6.478) 8.862 12.622 ( -2.809 0.000 -3.016) 4.121 12.765 ( 4.709 0.000 6.331) 7.890 12.811 ( 3.401 0.000 -7.113) 7.884 12.869 ( -1.504 0.000 -7.270) 7.424 12.952 ( -13.481 0.000 6.892) 15.141 13.042 ( 14.490 0.000 -5.348) 15.445 13.338 ( -13.034 0.000 -8.282) 15.443 13.760 ( 7.899 0.000 -4.173) 8.933 13.874 ( 18.501 0.000 -16.246) 24.622 13.952 ( -10.656 0.000 -9.616) 14.354 14.143 ( -4.932 0.000 -17.645) 18.321 14.892 ( 16.155 0.000 -19.918) 25.646 14.995 ( 10.801 0.000 -10.229) 14.876 15.010 ( 6.082 0.000 -19.669) 20.588 15.240 ( -11.507 0.000 -12.883) 17.274 15.320 ( 1.844 0.000 -2.743) 3.305 15.461 ( -14.760 0.000 -2.503) 14.971 15.468 ( -0.109 0.000 -8.405) 8.406 15.553 ( -7.403 0.000 -5.642) 9.308 16.133 ( 9.940 0.000 -12.285) 15.803 16.344 ( -8.632 0.000 -8.563) 12.159 17.145 ( 18.270 0.000 5.614) 19.113 17.508 ( -16.189 0.000 -2.326) 16.355 17.595 ( 20.905 0.000 14.721) 25.568 17.988 ( -15.845 0.000 2.635) 16.062 19.199 ( 2.655 0.000 -18.021) 18.215 19.288 ( -6.811 0.000 -17.152) 18.454 19.708 ( 5.037 0.000 -8.181) 9.607 19.836 ( -6.209 0.000 0.040) 6.209 19.939 ( 5.735 0.000 11.794) 13.114 20.068 ( -6.718 0.000 14.634) 16.102 20.350 ( 2.546 0.000 13.726) 13.960 20.492 ( -11.362 0.000 15.918) 19.557 20.886 ( 3.151 0.000 -1.012) 3.310 21.008 ( -8.435 0.000 -3.199) 9.021 21.648 ( 13.685 0.000 -5.170) 14.629 21.834 ( 2.191 0.000 -1.889) 2.893 21.856 ( -4.489 0.000 -0.456) 4.512 21.865 ( -0.233 0.000 -4.413) 4.419 22.130 ( 2.007 0.000 -2.237) 3.005 22.242 ( -6.870 0.000 7.063) 9.853 22.710 ( 6.313 0.000 7.698) 9.956 22.788 ( -2.981 0.000 8.349) 8.865 23.210 ( 7.146 0.000 12.351) 14.270 23.285 ( -0.223 0.000 11.618) 11.620 23.424 ( 10.527 0.000 -8.804) 13.723 23.642 ( -9.757 0.000 -7.757) 12.465 23.838 ( 5.598 0.000 10.734) 12.106 23.981 ( -7.630 0.000 7.197) 10.489 24.184 ( 6.828 0.000 6.166) 9.200 24.263 ( 0.559 0.000 9.217) 9.234 24.481 ( 5.341 0.000 13.929) 14.918 24.655 ( -9.273 0.000 6.589) 11.375 26.084 ( 2.347 0.000 -6.781) 7.176 26.114 ( -0.063 0.000 -6.772) 6.773 26.499 ( 2.782 0.000 -0.592) 2.844 26.607 ( -7.141 0.000 -3.239) 7.841 27.652 ( 1.602 0.000 -2.764) 3.195 27.718 ( -5.067 0.000 -0.598) 5.102 27.718 ( 1.896 0.000 6.544) 6.813 27.751 ( -1.324 0.000 4.624) 4.810 28.180 ( 2.871 0.000 3.847) 4.800 28.215 ( 4.125 0.000 10.738) 11.503 28.239 ( 1.554 0.000 4.461) 4.724 28.244 ( -3.113 0.000 7.352) 7.984 28.438 ( 2.415 0.000 -0.225) 2.425 28.547 ( -7.200 0.000 1.375) 7.330 28.575 ( 4.194 0.000 2.107) 4.694 28.683 ( -6.285 0.000 2.440) 6.742 29.146 ( 3.411 0.000 2.895) 4.474 29.163 ( 2.052 0.000 1.395) 2.481 29.219 ( 3.594 0.000 14.445) 14.885 29.288 ( -4.063 0.000 19.861) 20.272 29.291 ( -1.828 0.000 11.456) 11.601 29.329 ( -5.629 0.000 11.459) 12.767 29.833 ( 9.163 0.000 -5.220) 10.545 30.101 ( -15.759 0.000 -8.188) 17.759 30.831 ( 21.766 0.000 0.441) 21.771 31.220 ( -15.966 0.000 -2.703) 16.193 31.822 ( 21.060 0.000 -17.905) 27.643 32.178 ( -14.429 0.000 -15.009) 20.820 ======================= Grid point 55 (22/54) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 16.729 15.387) 22.729 1.621 ( 0.000 12.659 24.559) 27.630 1.793 ( 0.000 0.435 5.124) 5.142 2.008 ( 0.000 -5.707 -0.252) 5.712 2.076 ( 0.000 -0.914 5.520) 5.595 2.208 ( 0.000 -11.377 3.137) 11.801 2.306 ( 0.000 2.102 1.016) 2.334 2.417 ( 0.000 1.225 11.426) 11.491 2.508 ( 0.000 5.813 16.426) 17.424 2.643 ( 0.000 2.234 -4.156) 4.719 2.777 ( 0.000 3.013 0.767) 3.109 2.898 ( 0.000 -1.104 -6.034) 6.134 3.007 ( 0.000 22.208 3.113) 22.426 3.296 ( 0.000 3.932 11.499) 12.153 3.738 ( 0.000 -15.556 17.042) 23.074 3.860 ( 0.000 -6.082 19.457) 20.386 4.012 ( 0.000 -11.407 22.947) 25.626 4.088 ( 0.000 -8.825 25.146) 26.650 4.311 ( 0.000 5.864 -3.937) 7.063 4.387 ( 0.000 2.638 10.023) 10.364 4.559 ( 0.000 -4.697 -1.430) 4.910 4.670 ( 0.000 1.881 17.910) 18.009 4.817 ( 0.000 11.838 -0.019) 11.838 5.031 ( 0.000 -1.014 29.104) 29.121 5.185 ( 0.000 -12.495 0.891) 12.527 5.234 ( 0.000 -0.469 6.558) 6.575 5.436 ( 0.000 -13.654 -1.108) 13.699 5.540 ( 0.000 -3.779 -4.827) 6.130 5.724 ( 0.000 12.209 6.144) 13.668 5.916 ( 0.000 5.717 3.156) 6.530 6.269 ( 0.000 0.944 18.750) 18.774 6.347 ( 0.000 14.875 -4.726) 15.607 6.683 ( 0.000 -1.622 4.959) 5.217 6.733 ( 0.000 4.372 -7.056) 8.301 6.924 ( 0.000 -2.699 3.860) 4.710 7.117 ( 0.000 -10.871 11.432) 15.776 7.501 ( 0.000 -5.557 4.696) 7.276 7.770 ( 0.000 9.065 -13.082) 15.915 8.042 ( 0.000 -16.009 2.026) 16.137 8.100 ( 0.000 0.362 -7.241) 7.250 8.241 ( 0.000 5.066 -9.506) 10.772 8.474 ( 0.000 -1.727 -2.047) 2.678 9.039 ( 0.000 -1.323 -6.431) 6.565 9.075 ( 0.000 -0.580 2.606) 2.670 9.211 ( 0.000 11.353 1.402) 11.439 9.276 ( 0.000 0.446 1.878) 1.930 9.569 ( 0.000 1.014 2.859) 3.034 9.619 ( 0.000 -12.962 -5.385) 14.036 9.974 ( 0.000 5.576 -5.000) 7.489 10.112 ( 0.000 0.536 -11.475) 11.488 10.179 ( 0.000 14.989 -1.807) 15.098 10.233 ( 0.000 0.272 3.195) 3.207 10.574 ( 0.000 9.178 -2.593) 9.537 10.628 ( 0.000 -11.126 0.061) 11.126 10.823 ( 0.000 -4.606 -3.781) 5.959 10.923 ( 0.000 -10.948 -11.641) 15.980 11.074 ( 0.000 6.437 1.054) 6.522 11.216 ( 0.000 3.875 7.207) 8.183 11.558 ( 0.000 7.651 -3.352) 8.353 11.793 ( 0.000 -0.163 5.177) 5.179 12.044 ( 0.000 1.120 -3.892) 4.050 12.090 ( 0.000 -3.927 13.151) 13.725 12.296 ( 0.000 -9.745 -7.587) 12.350 12.341 ( 0.000 -16.899 3.440) 17.246 12.498 ( 0.000 -5.818 -2.718) 6.421 12.703 ( 0.000 -4.593 -13.323) 14.092 13.103 ( 0.000 13.322 -3.361) 13.739 13.194 ( 0.000 23.250 6.100) 24.037 13.342 ( 0.000 5.979 -5.815) 8.341 13.344 ( 0.000 3.128 -3.965) 5.050 13.698 ( 0.000 -4.456 3.524) 5.681 13.847 ( 0.000 1.052 -28.776) 28.796 14.064 ( 0.000 14.296 -4.716) 15.054 14.100 ( 0.000 -15.751 -6.339) 16.978 14.417 ( 0.000 -3.451 -19.356) 19.662 14.719 ( 0.000 -5.710 0.453) 5.728 14.769 ( 0.000 4.154 -13.777) 14.390 14.771 ( 0.000 -1.457 -23.640) 23.685 15.549 ( 0.000 -4.150 -10.237) 11.046 15.557 ( 0.000 3.425 -19.027) 19.333 15.856 ( 0.000 2.645 -2.018) 3.327 15.966 ( 0.000 -4.568 -17.644) 18.225 16.015 ( 0.000 5.029 -16.325) 17.082 16.329 ( 0.000 -8.796 14.718) 17.146 16.739 ( 0.000 5.538 13.551) 14.639 16.997 ( 0.000 -4.840 14.884) 15.652 17.913 ( 0.000 5.485 -13.699) 14.756 18.183 ( 0.000 -4.567 -17.072) 17.672 19.161 ( 0.000 3.689 -9.785) 10.457 19.476 ( 0.000 -8.487 -16.386) 18.453 19.696 ( 0.000 -1.909 -1.175) 2.241 19.752 ( 0.000 -3.166 3.692) 4.863 19.962 ( 0.000 7.910 1.610) 8.072 20.315 ( 0.000 -7.969 7.425) 10.892 20.328 ( 0.000 4.097 20.002) 20.417 20.752 ( 0.000 -14.277 13.487) 19.640 21.142 ( 0.000 4.578 -6.360) 7.836 21.248 ( 0.000 8.076 3.577) 8.833 21.398 ( 0.000 -5.580 -5.017) 7.504 21.569 ( 0.000 10.753 0.562) 10.768 21.722 ( 0.000 -7.043 1.849) 7.282 21.844 ( 0.000 6.024 5.983) 8.490 22.142 ( 0.000 -7.534 -4.020) 8.540 22.231 ( 0.000 -7.767 13.285) 15.389 22.481 ( 0.000 6.895 10.098) 12.228 22.823 ( 0.000 -6.051 6.508) 8.886 22.950 ( 0.000 1.683 6.267) 6.489 23.226 ( 0.000 -0.567 5.606) 5.634 23.381 ( 0.000 10.303 6.342) 12.099 23.655 ( 0.000 -5.394 4.142) 6.801 23.908 ( 0.000 2.378 14.878) 15.067 23.923 ( 0.000 -4.452 8.181) 9.314 24.038 ( 0.000 -2.055 6.652) 6.962 24.218 ( 0.000 1.612 10.104) 10.232 24.438 ( 0.000 -0.989 11.806) 11.847 24.759 ( 0.000 -7.809 -1.171) 7.896 26.079 ( 0.000 4.879 -7.543) 8.983 26.177 ( 0.000 3.757 -1.345) 3.991 26.680 ( 0.000 11.527 -14.912) 18.847 26.840 ( 0.000 1.619 -9.510) 9.647 27.675 ( 0.000 1.762 -2.186) 2.808 27.687 ( 0.000 2.252 8.582) 8.873 27.706 ( 0.000 -2.335 2.850) 3.685 28.022 ( 0.000 -8.958 7.881) 11.931 28.044 ( 0.000 5.669 1.271) 5.810 28.062 ( 0.000 0.817 -4.341) 4.417 28.262 ( 0.000 6.098 0.649) 6.133 28.331 ( 0.000 1.856 10.956) 11.112 28.401 ( 0.000 -2.350 6.708) 7.108 28.497 ( 0.000 -1.471 0.826) 1.688 28.749 ( 0.000 1.257 1.943) 2.314 28.921 ( 0.000 -3.374 -4.506) 5.630 28.969 ( 0.000 1.176 4.070) 4.237 29.027 ( 0.000 -2.162 3.849) 4.415 29.237 ( 0.000 8.607 2.446) 8.947 29.462 ( 0.000 9.029 8.891) 12.672 29.566 ( 0.000 -5.579 4.385) 7.096 29.673 ( 0.000 1.233 8.621) 8.708 29.771 ( 0.000 -3.139 4.351) 5.365 30.003 ( 0.000 -7.914 8.601) 11.688 30.546 ( 0.000 3.062 -11.425) 11.828 30.790 ( 0.000 -4.216 -2.732) 5.024 31.716 ( 0.000 13.434 -5.422) 14.487 32.368 ( 0.000 -12.298 -11.388) 16.761 ======================= Grid point 56 (23/54) ======================= q-point: ( 0.20 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 8.406 13.895 12.396) 20.430 1.693 ( 6.663 7.312 16.083) 18.882 1.851 ( 3.937 3.080 3.922) 6.354 2.040 ( 3.147 -5.969 -0.995) 6.821 2.100 ( 2.041 -1.209 4.219) 4.840 2.214 ( -0.246 -10.176 0.964) 10.225 2.277 ( -2.951 1.733 1.559) 3.760 2.402 ( -2.519 -3.850 3.716) 5.915 2.584 ( 7.516 6.374 14.002) 17.123 2.636 ( -0.612 4.585 -1.331) 4.813 2.785 ( 0.831 2.880 2.248) 3.747 2.892 ( -1.216 -2.201 -4.766) 5.388 3.040 ( 5.501 20.322 7.768) 22.441 3.484 ( 15.760 4.926 11.992) 20.407 3.753 ( 0.222 -5.234 14.015) 14.962 4.008 ( 9.627 -10.888 20.948) 25.496 4.047 ( 7.114 -8.631 19.674) 22.631 4.187 ( -8.131 2.508 9.497) 12.751 4.212 ( 9.117 -10.486 18.887) 23.448 4.407 ( -3.891 1.492 9.150) 10.054 4.550 ( -0.664 -4.004 8.300) 9.239 4.635 ( 0.531 -1.284 7.340) 7.470 4.862 ( 2.869 6.649 4.981) 8.789 5.003 ( -3.919 3.480 14.307) 15.237 5.127 ( 3.374 -9.020 8.461) 12.819 5.231 ( -3.200 -4.227 9.285) 10.692 5.444 ( 3.413 -1.261 -1.554) 3.956 5.701 ( 8.448 4.466 4.471) 10.551 5.748 ( 1.908 -0.549 -0.872) 2.169 5.900 ( 3.406 7.957 3.634) 9.388 6.128 ( -16.816 11.616 -5.635) 21.200 6.408 ( 1.064 0.567 11.429) 11.493 6.575 ( 0.570 -3.658 10.121) 10.777 6.678 ( -14.483 2.893 6.768) 16.246 6.886 ( 4.732 8.051 -4.624) 10.421 7.166 ( 3.830 -13.876 8.029) 16.483 7.515 ( 2.659 -7.267 2.497) 8.131 7.783 ( -17.920 -10.025 2.283) 20.660 7.921 ( 12.507 7.461 -12.440) 19.153 8.152 ( -0.517 1.867 -6.125) 6.424 8.401 ( -1.046 -7.621 -0.523) 7.710 8.429 ( 6.747 0.059 -7.081) 9.780 8.853 ( -19.210 6.504 0.463) 20.286 8.934 ( -11.119 -0.322 -4.939) 12.171 9.193 ( 3.992 -3.461 -3.568) 6.375 9.275 ( -9.415 13.036 -2.401) 16.259 9.402 ( -2.982 -10.498 0.728) 10.937 9.589 ( -2.944 -2.726 -0.791) 4.089 9.873 ( -9.602 2.888 -5.362) 11.371 10.053 ( -4.172 0.602 -2.991) 5.169 10.175 ( -9.187 4.138 -1.713) 10.221 10.309 ( 13.495 6.092 -2.965) 15.100 10.593 ( 3.957 -3.079 -7.736) 9.219 10.676 ( 2.042 0.339 1.428) 2.515 10.898 ( 5.449 -1.256 -2.412) 6.090 10.978 ( -0.384 -7.638 -3.775) 8.529 11.109 ( 4.432 5.909 1.544) 7.546 11.217 ( 2.557 6.205 4.353) 7.999 11.613 ( 5.460 7.006 -3.163) 9.428 11.760 ( -3.151 4.664 5.094) 7.591 12.015 ( -3.005 -4.059 -3.652) 6.232 12.159 ( 5.633 -1.317 10.015) 11.566 12.212 ( -7.282 -7.650 1.965) 10.743 12.290 ( -1.169 -9.984 -4.244) 10.911 12.527 ( -1.047 -12.805 -3.365) 13.281 12.792 ( 5.118 -4.272 -12.788) 14.422 12.881 ( -8.925 6.364 2.396) 11.220 13.215 ( -4.823 10.610 -5.748) 12.995 13.272 ( -3.422 7.945 2.310) 8.953 13.553 ( 1.257 -3.411 3.153) 4.812 13.595 ( 9.577 10.484 -8.750) 16.679 13.740 ( -5.217 5.050 -20.295) 21.555 14.077 ( -9.481 -5.761 -13.171) 17.221 14.224 ( 11.649 3.907 -10.691) 16.286 14.437 ( 11.410 -3.537 -14.184) 18.544 14.860 ( 8.621 3.371 -16.231) 18.685 14.869 ( 8.998 4.664 -12.378) 15.998 15.036 ( 17.337 -10.552 -7.828) 21.753 15.429 ( -8.577 -1.840 -9.084) 12.628 15.545 ( -2.284 0.589 -16.474) 16.642 15.729 ( -11.216 3.720 -1.549) 11.918 15.852 ( -9.929 2.821 -15.582) 18.690 15.967 ( -2.576 -2.651 -11.296) 11.886 16.318 ( -2.568 -10.832 1.547) 11.239 16.883 ( 13.072 5.703 12.469) 18.944 17.155 ( 14.632 -4.927 17.238) 23.141 17.834 ( -8.047 6.000 -10.053) 14.206 18.137 ( -5.487 -5.266 -11.763) 14.007 19.184 ( 2.085 3.415 -12.191) 12.831 19.465 ( -2.673 -4.047 -12.259) 13.184 19.565 ( -6.088 -2.572 -9.507) 11.578 19.772 ( -0.896 -6.418 1.807) 6.728 19.979 ( 0.833 5.781 5.674) 8.144 20.230 ( -5.685 0.151 15.640) 16.642 20.290 ( -3.702 -3.595 12.193) 13.240 20.624 ( -12.047 -12.879 16.986) 24.485 21.054 ( -3.598 12.591 2.101) 13.262 21.227 ( 3.171 4.691 -7.820) 9.655 21.522 ( -1.718 8.998 1.793) 9.335 21.665 ( 9.451 -6.446 -9.111) 14.624 21.741 ( 4.226 -4.157 1.414) 6.094 21.926 ( 5.041 6.822 4.026) 9.390 22.143 ( 1.327 -5.331 -4.219) 6.927 22.362 ( 10.873 -10.513 9.586) 17.906 22.440 ( -2.447 6.888 8.848) 11.477 22.774 ( -4.244 -7.130 7.955) 11.495 22.926 ( -1.765 -1.872 8.213) 8.606 23.220 ( -0.793 -3.326 4.833) 5.920 23.475 ( 7.927 11.486 4.912) 14.794 23.677 ( 1.478 -1.438 3.126) 3.745 23.936 ( 0.662 6.069 11.436) 12.964 23.969 ( 5.920 -4.182 7.944) 10.753 24.073 ( 3.320 -6.428 10.228) 12.528 24.203 ( -1.801 4.553 7.905) 9.299 24.402 ( -2.641 -3.470 13.101) 13.808 24.703 ( -5.372 -8.332 1.047) 9.969 26.120 ( 3.870 5.524 -8.023) 10.481 26.191 ( 1.390 5.140 -2.238) 5.776 26.631 ( -4.520 9.504 -11.930) 15.909 26.762 ( -6.988 0.726 -8.375) 10.931 27.677 ( 0.236 1.881 -1.865) 2.660 27.694 ( 0.096 -0.486 4.253) 4.282 27.711 ( 0.877 0.483 5.550) 5.640 27.894 ( -6.790 -0.737 1.503) 6.994 28.085 ( 2.873 0.371 3.694) 4.694 28.150 ( 4.777 -0.412 3.528) 5.953 28.266 ( 0.271 6.545 0.707) 6.588 28.313 ( -0.902 1.262 9.457) 9.583 28.397 ( -0.613 -2.458 5.549) 6.100 28.498 ( 0.681 -2.345 1.420) 2.825 28.685 ( -5.923 0.895 1.061) 6.084 28.799 ( -6.795 -2.037 0.584) 7.117 29.058 ( 4.213 -0.201 3.961) 5.786 29.086 ( 5.099 -1.417 3.921) 6.587 29.249 ( 1.093 8.313 3.342) 9.026 29.427 ( -3.734 7.383 9.456) 12.564 29.452 ( -10.739 0.738 17.663) 20.684 29.501 ( -9.018 1.461 11.433) 14.635 29.657 ( -1.782 -6.767 0.234) 7.002 30.094 ( -1.382 -15.731 -1.801) 15.894 30.645 ( 13.174 12.942 -5.138) 19.168 31.189 ( 27.462 -9.401 -12.754) 31.705 31.632 ( -8.124 13.482 -5.321) 16.615 32.280 ( -8.231 -11.809 -11.466) 18.403 ======================= Grid point 57 (24/54) ======================= q-point: ( 0.40 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 6.057 7.685 5.307) 11.132 1.819 ( 2.823 3.051 3.325) 5.323 1.944 ( 6.484 5.073 5.409) 9.851 2.082 ( -4.087 -1.178 0.494) 4.282 2.137 ( 3.357 -3.369 1.233) 4.913 2.201 ( -0.488 -6.337 -1.008) 6.435 2.230 ( 0.782 -1.305 1.975) 2.494 2.320 ( -5.137 -4.176 0.395) 6.632 2.647 ( 2.288 4.917 2.890) 6.145 2.694 ( 0.359 2.891 1.753) 3.400 2.805 ( 2.271 -0.293 4.673) 5.204 2.858 ( -1.950 -2.985 -0.980) 3.698 3.252 ( 14.657 17.990 11.305) 25.812 3.591 ( -15.888 12.430 12.132) 23.540 3.822 ( 14.394 3.656 18.194) 23.486 4.064 ( -7.763 2.430 19.571) 21.194 4.124 ( 5.963 -8.998 18.694) 21.586 4.229 ( 3.851 -8.007 13.857) 16.461 4.300 ( 0.819 -12.808 4.242) 13.517 4.395 ( -2.689 -11.038 8.513) 14.196 4.584 ( 14.388 -2.683 19.382) 24.287 4.780 ( 5.684 -4.947 5.827) 9.525 4.893 ( -0.986 0.361 2.884) 3.069 4.967 ( 6.839 0.665 4.734) 8.344 5.076 ( -7.270 -3.755 9.639) 12.644 5.274 ( 1.279 -1.113 10.172) 10.312 5.495 ( -6.802 0.975 0.012) 6.871 5.589 ( -14.317 4.777 2.368) 15.277 5.758 ( 10.679 10.040 11.455) 18.603 6.085 ( 10.285 14.498 5.895) 18.728 6.094 ( -10.418 10.256 8.456) 16.889 6.214 ( 13.260 4.964 3.020) 14.477 6.389 ( -11.212 3.078 8.145) 14.196 6.672 ( -11.955 -1.331 1.395) 12.110 7.002 ( 15.776 -9.777 3.554) 18.898 7.361 ( 3.902 -5.524 -1.629) 6.957 7.396 ( -2.885 -14.151 -3.866) 14.951 7.661 ( 6.656 -8.304 6.269) 12.351 7.882 ( -20.972 1.740 0.672) 21.055 8.039 ( -17.213 -7.025 6.984) 19.860 8.322 ( 15.709 8.516 -10.095) 20.523 8.556 ( -5.605 4.235 -6.971) 9.896 8.675 ( 5.595 -3.223 -9.496) 11.483 8.780 ( -7.079 -3.459 -7.324) 10.758 9.090 ( -2.701 0.432 -6.101) 6.687 9.168 ( -5.232 4.549 -2.504) 7.372 9.424 ( 4.171 -6.827 -3.001) 8.545 9.536 ( -3.679 8.489 0.081) 9.252 9.730 ( -1.902 1.633 -4.094) 4.801 9.857 ( -12.143 7.253 -2.207) 14.315 10.190 ( 10.662 -13.927 -0.447) 17.545 10.424 ( -7.419 -17.450 -6.549) 20.061 10.683 ( 7.187 7.179 2.953) 10.579 10.744 ( 2.856 10.452 -0.114) 10.836 10.922 ( -1.736 3.749 0.774) 4.203 10.931 ( -1.818 3.712 -1.294) 4.331 11.250 ( 7.132 7.394 -1.705) 10.413 11.300 ( 2.651 8.092 -1.979) 8.742 11.683 ( -1.031 1.886 6.892) 7.220 11.725 ( -1.019 3.338 4.743) 5.889 11.942 ( 1.635 2.510 -4.992) 5.821 12.079 ( -6.791 8.944 -2.834) 11.582 12.267 ( 2.234 -16.882 -0.182) 17.030 12.314 ( 3.057 -8.992 -2.320) 9.777 12.470 ( 1.033 -13.992 0.287) 14.033 12.652 ( -11.012 -3.674 2.152) 11.806 12.945 ( 5.558 -8.230 -4.649) 10.966 13.072 ( -7.013 -0.248 -1.387) 7.153 13.298 ( 6.467 15.474 -4.496) 17.363 13.466 ( -8.163 8.520 -12.263) 17.018 13.676 ( 5.861 -4.320 -7.003) 10.102 13.838 ( -7.961 -4.758 -13.408) 16.303 14.046 ( 17.794 11.818 -12.018) 24.510 14.329 ( -5.289 14.484 -13.828) 20.712 14.734 ( 15.953 -12.460 -18.397) 27.353 14.971 ( -2.806 -4.452 -21.197) 21.841 15.078 ( 10.837 5.317 -10.551) 16.033 15.246 ( 3.099 -2.997 -2.334) 4.902 15.286 ( -3.443 0.577 -2.992) 4.598 15.451 ( -11.390 -0.484 1.401) 11.486 15.539 ( 0.561 8.162 -12.994) 15.355 15.646 ( -8.710 6.234 -12.828) 16.712 16.001 ( 7.420 -10.555 -10.761) 16.801 16.197 ( -9.096 -12.666 -8.219) 17.627 17.218 ( 18.453 6.210 7.581) 20.894 17.530 ( 20.004 -5.456 13.716) 24.860 17.584 ( -15.590 6.358 -0.751) 16.854 17.920 ( -15.933 -6.015 2.487) 17.211 19.237 ( 3.146 3.711 -17.120) 17.798 19.332 ( -6.660 4.298 -15.309) 17.239 19.577 ( 4.685 -9.664 -9.988) 14.667 19.697 ( -5.946 -9.941 -3.778) 12.184 20.013 ( 3.236 4.635 11.180) 12.528 20.109 ( -5.820 3.432 15.117) 16.558 20.261 ( 2.076 -6.360 13.292) 14.880 20.382 ( -9.631 -8.108 16.137) 20.467 21.067 ( 3.453 13.789 0.080) 14.215 21.170 ( -6.046 12.577 -2.753) 14.224 21.597 ( 6.264 -6.163 -1.624) 8.936 21.705 ( -3.552 -9.482 -4.153) 10.944 21.887 ( 8.906 7.047 -3.916) 12.013 21.993 ( 0.008 8.375 0.124) 8.376 22.189 ( 3.345 2.183 -2.167) 4.544 22.301 ( -6.910 3.545 4.053) 8.761 22.640 ( 7.424 -5.147 7.268) 11.595 22.709 ( -1.825 -4.918 9.402) 10.766 22.940 ( 6.668 -14.981 6.604) 17.677 23.136 ( -8.239 -12.320 3.978) 15.346 23.641 ( 6.635 12.495 3.262) 14.519 23.704 ( 0.280 6.917 1.774) 7.146 23.965 ( 3.427 9.231 10.623) 14.484 24.076 ( -4.572 4.848 7.026) 9.683 24.108 ( 5.212 -5.567 7.269) 10.536 24.175 ( -0.249 -5.547 8.633) 10.264 24.397 ( 4.085 -7.244 13.536) 15.887 24.551 ( -8.878 -8.580 6.818) 14.104 26.212 ( 3.843 8.561 -9.141) 13.100 26.228 ( 1.701 9.028 -5.620) 10.769 26.540 ( -2.332 2.113 -5.275) 6.142 26.600 ( -7.365 -1.354 -5.431) 9.250 27.682 ( 0.275 1.286 -0.831) 1.556 27.690 ( -0.346 1.555 0.582) 1.696 27.740 ( 1.886 0.784 4.893) 5.303 27.791 ( -3.340 1.059 2.580) 4.351 28.153 ( 3.410 0.414 5.497) 6.482 28.209 ( -1.021 0.382 6.144) 6.240 28.276 ( 2.576 1.765 8.694) 9.237 28.322 ( -0.249 3.880 5.339) 6.604 28.399 ( 3.210 -2.416 -1.562) 4.310 28.522 ( -4.385 -1.109 2.147) 5.006 28.562 ( 0.730 -1.213 -0.287) 1.444 28.665 ( -6.377 -2.047 1.956) 6.977 29.147 ( 4.271 0.326 7.304) 8.467 29.188 ( 4.284 0.562 6.931) 8.168 29.244 ( -2.685 2.924 10.150) 10.899 29.314 ( -4.480 1.933 14.046) 14.869 29.327 ( -1.184 2.359 12.992) 13.258 29.380 ( -3.927 6.826 9.131) 12.058 29.713 ( 7.092 -9.628 -2.630) 12.244 29.922 ( -11.847 -13.897 -4.429) 18.791 31.020 ( 20.065 14.873 -3.582) 25.232 31.388 ( -15.320 13.904 -4.848) 21.249 31.693 ( 20.851 -11.415 -15.191) 28.210 32.048 ( -14.306 -11.416 -12.918) 22.402 ======================= Grid point 60 (25/54) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 -7.294 6.848) 10.005 1.808 ( 0.000 7.294 6.848) 10.005 1.863 ( 0.000 -2.831 4.383) 5.218 1.863 ( 0.000 2.831 4.383) 5.218 2.018 ( 0.000 -0.272 7.533) 7.538 2.018 ( 0.000 0.272 7.533) 7.538 2.364 ( 0.000 -3.152 4.190) 5.243 2.364 ( 0.000 3.152 4.190) 5.243 2.637 ( 0.000 -3.196 4.667) 5.656 2.637 ( 0.000 3.196 4.667) 5.656 2.857 ( 0.000 -3.196 -0.889) 3.317 2.857 ( 0.000 3.196 -0.889) 3.317 3.425 ( 0.000 -5.444 14.766) 15.738 3.425 ( 0.000 5.444 14.766) 15.738 3.573 ( 0.000 -18.330 13.379) 22.693 3.573 ( 0.000 18.330 13.379) 22.693 3.917 ( 0.000 -3.464 27.024) 27.245 3.917 ( 0.000 3.464 27.024) 27.245 4.422 ( 0.000 -5.551 -6.497) 8.546 4.422 ( 0.000 5.551 -6.497) 8.546 4.577 ( 0.000 -11.051 15.510) 19.045 4.577 ( 0.000 11.051 15.510) 19.045 4.930 ( 0.000 -1.156 4.746) 4.885 4.930 ( 0.000 1.156 4.746) 4.885 5.187 ( 0.000 -3.341 8.310) 8.956 5.187 ( 0.000 3.341 8.310) 8.956 5.371 ( 0.000 -8.951 -2.181) 9.213 5.371 ( 0.000 8.951 -2.181) 9.213 5.945 ( 0.000 -5.364 6.150) 8.161 5.945 ( 0.000 5.364 6.150) 8.161 6.335 ( 0.000 -5.081 16.167) 16.947 6.335 ( 0.000 5.081 16.167) 16.947 6.814 ( 0.000 -4.570 3.621) 5.831 6.814 ( 0.000 4.570 3.621) 5.831 6.921 ( 0.000 -10.747 -3.394) 11.270 6.921 ( 0.000 10.747 -3.394) 11.270 7.600 ( 0.000 -15.654 4.565) 16.306 7.600 ( 0.000 15.654 4.565) 16.306 8.008 ( 0.000 -7.807 -8.391) 11.461 8.008 ( 0.000 7.807 -8.391) 11.461 8.383 ( 0.000 -6.900 -4.758) 8.381 8.383 ( 0.000 6.900 -4.758) 8.381 8.987 ( 0.000 -0.512 -4.756) 4.783 8.987 ( 0.000 0.512 -4.756) 4.783 9.350 ( 0.000 -5.257 6.068) 8.028 9.350 ( 0.000 5.257 6.068) 8.028 9.595 ( 0.000 -4.298 -8.257) 9.308 9.595 ( 0.000 4.298 -8.257) 9.308 10.031 ( 0.000 -4.146 -9.322) 10.202 10.031 ( 0.000 4.146 -9.322) 10.202 10.362 ( 0.000 -7.936 -1.656) 8.107 10.362 ( 0.000 7.936 -1.656) 8.107 10.569 ( 0.000 -8.371 -1.465) 8.498 10.569 ( 0.000 8.371 -1.465) 8.498 10.715 ( 0.000 -0.275 1.437) 1.463 10.715 ( 0.000 0.275 1.437) 1.463 11.223 ( 0.000 -4.106 8.719) 9.637 11.223 ( 0.000 4.106 8.719) 9.637 11.775 ( 0.000 -5.486 -8.790) 10.361 11.775 ( 0.000 5.486 -8.790) 10.361 12.027 ( 0.000 -3.922 2.366) 4.580 12.027 ( 0.000 3.922 2.366) 4.580 12.153 ( 0.000 -6.016 5.216) 7.962 12.153 ( 0.000 6.016 5.216) 7.962 12.516 ( 0.000 -10.181 -12.559) 16.167 12.516 ( 0.000 10.181 -12.559) 16.167 13.323 ( 0.000 -5.808 -5.989) 8.343 13.323 ( 0.000 5.808 -5.989) 8.343 13.524 ( 0.000 -5.982 8.708) 10.565 13.524 ( 0.000 5.982 8.708) 10.565 13.649 ( 0.000 -16.491 -6.261) 17.639 13.649 ( 0.000 16.491 -6.261) 17.639 14.095 ( 0.000 -11.901 -24.164) 26.936 14.095 ( 0.000 11.901 -24.164) 26.936 14.488 ( 0.000 -11.120 -4.443) 11.975 14.488 ( 0.000 11.120 -4.443) 11.975 14.818 ( 0.000 -0.778 -17.844) 17.861 14.818 ( 0.000 0.778 -17.844) 17.861 15.537 ( 0.000 -2.869 -16.272) 16.523 15.537 ( 0.000 2.869 -16.272) 16.523 15.924 ( 0.000 -1.701 -9.690) 9.838 15.924 ( 0.000 1.701 -9.690) 9.838 16.131 ( 0.000 -7.599 0.163) 7.601 16.131 ( 0.000 7.599 0.163) 7.601 16.869 ( 0.000 -6.443 15.947) 17.199 16.869 ( 0.000 6.443 15.947) 17.199 18.054 ( 0.000 -6.952 -15.131) 16.651 18.054 ( 0.000 6.952 -15.131) 16.651 19.288 ( 0.000 -7.972 -13.787) 15.925 19.288 ( 0.000 7.972 -13.787) 15.925 19.694 ( 0.000 -1.591 0.783) 1.773 19.694 ( 0.000 1.591 0.783) 1.773 20.134 ( 0.000 -8.334 4.749) 9.592 20.134 ( 0.000 8.334 4.749) 9.592 20.473 ( 0.000 -9.887 19.620) 21.970 20.473 ( 0.000 9.887 19.620) 21.970 21.262 ( 0.000 -6.396 -6.315) 8.988 21.262 ( 0.000 6.396 -6.315) 8.988 21.495 ( 0.000 -12.194 3.825) 12.780 21.495 ( 0.000 12.194 3.825) 12.780 21.859 ( 0.000 -12.237 -3.069) 12.616 21.859 ( 0.000 12.237 -3.069) 12.616 22.049 ( 0.000 -7.293 13.013) 14.918 22.049 ( 0.000 7.293 13.013) 14.918 22.654 ( 0.000 -8.728 8.626) 12.272 22.654 ( 0.000 8.728 8.626) 12.272 23.104 ( 0.000 -9.739 1.762) 9.897 23.104 ( 0.000 9.739 1.762) 9.897 23.568 ( 0.000 -5.253 5.884) 7.887 23.568 ( 0.000 5.253 5.884) 7.887 23.859 ( 0.000 -0.939 9.796) 9.840 23.859 ( 0.000 0.939 9.796) 9.840 24.134 ( 0.000 -7.129 14.787) 16.416 24.134 ( 0.000 7.129 14.787) 16.416 24.558 ( 0.000 -9.629 2.086) 9.852 24.558 ( 0.000 9.629 2.086) 9.852 26.178 ( 0.000 -3.173 -3.527) 4.744 26.178 ( 0.000 3.173 -3.527) 4.744 26.834 ( 0.000 -3.002 -15.715) 16.000 26.834 ( 0.000 3.002 -15.715) 16.000 27.681 ( 0.000 -0.573 1.684) 1.779 27.681 ( 0.000 0.573 1.684) 1.779 27.813 ( 0.000 -8.450 8.667) 12.105 27.813 ( 0.000 8.450 8.667) 12.105 28.105 ( 0.000 -0.565 -2.061) 2.137 28.105 ( 0.000 0.565 -2.061) 2.137 28.348 ( 0.000 -2.468 7.807) 8.188 28.348 ( 0.000 2.468 7.807) 8.188 28.421 ( 0.000 -5.284 2.876) 6.016 28.421 ( 0.000 5.284 2.876) 6.016 28.820 ( 0.000 -4.953 -4.401) 6.626 28.820 ( 0.000 4.953 -4.401) 6.626 28.996 ( 0.000 -1.176 3.390) 3.588 28.996 ( 0.000 1.176 3.390) 3.588 29.417 ( 0.000 -7.804 5.504) 9.550 29.417 ( 0.000 7.804 5.504) 9.550 29.704 ( 0.000 -4.700 5.703) 7.390 29.704 ( 0.000 4.700 5.703) 7.390 29.745 ( 0.000 -12.525 6.288) 14.015 29.745 ( 0.000 12.525 6.288) 14.015 30.666 ( 0.000 -6.735 -5.817) 8.899 30.666 ( 0.000 6.735 -5.817) 8.899 32.049 ( 0.000 -16.324 -7.610) 18.011 32.049 ( 0.000 16.324 -7.610) 18.011 ======================= Grid point 62 (26/54) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 3.685 -6.145 4.640) 8.536 1.854 ( 3.685 6.145 4.640) 8.536 1.901 ( 3.620 -4.471 3.129) 6.549 1.901 ( 3.620 4.471 3.129) 6.549 2.047 ( 2.687 -0.850 5.994) 6.623 2.047 ( 2.687 0.850 5.994) 6.623 2.326 ( -3.538 -2.883 3.432) 5.710 2.326 ( -3.538 2.883 3.432) 5.710 2.678 ( 2.996 -1.208 3.061) 4.450 2.678 ( 2.996 1.208 3.061) 4.450 2.841 ( -1.453 -2.353 -0.442) 2.800 2.841 ( -1.453 2.353 -0.442) 2.800 3.509 ( 7.480 -16.554 12.871) 22.263 3.509 ( 7.480 16.554 12.871) 22.263 3.694 ( 10.628 -13.793 15.296) 23.177 3.694 ( 10.628 13.793 15.296) 23.177 4.008 ( 8.037 -5.777 22.990) 25.030 4.008 ( 8.037 5.777 22.990) 25.030 4.351 ( -7.267 -8.305 6.236) 12.676 4.351 ( -7.267 8.305 6.236) 12.676 4.529 ( -3.313 -5.146 6.169) 8.690 4.529 ( -3.313 5.146 6.169) 8.690 4.957 ( 3.855 -6.844 11.941) 14.293 4.957 ( 3.855 6.844 11.941) 14.293 5.145 ( -4.577 -6.591 3.591) 8.791 5.145 ( -4.577 6.591 3.591) 8.791 5.529 ( 15.879 -9.666 -1.297) 18.635 5.529 ( 15.879 9.666 -1.297) 18.635 5.918 ( -5.247 -6.078 6.243) 10.171 5.918 ( -5.247 6.078 6.243) 10.171 6.375 ( -0.052 -9.032 5.518) 10.584 6.375 ( -0.052 9.032 5.518) 10.584 6.585 ( -9.346 -8.608 12.983) 18.166 6.585 ( -9.346 8.608 12.983) 18.166 7.039 ( 7.239 -4.395 -4.902) 9.785 7.039 ( 7.239 4.395 -4.902) 9.785 7.507 ( -12.058 -9.290 7.496) 16.968 7.507 ( -12.058 9.290 7.496) 16.968 8.104 ( 8.232 -6.934 -8.962) 14.006 8.104 ( 8.232 6.934 -8.962) 14.006 8.346 ( -3.325 -3.769 -2.237) 5.502 8.346 ( -3.325 3.769 -2.237) 5.502 8.992 ( -4.003 -7.529 -5.456) 10.123 8.992 ( -4.003 7.529 -5.456) 10.123 9.104 ( -12.900 -11.968 -4.535) 18.172 9.104 ( -12.900 11.968 -4.535) 18.172 9.588 ( -2.034 -6.874 1.262) 7.279 9.588 ( -2.034 6.874 1.262) 7.279 9.979 ( -5.195 -9.811 -9.555) 14.648 9.979 ( -5.195 9.811 -9.555) 14.648 10.251 ( -8.620 -6.078 -0.845) 10.581 10.251 ( -8.620 6.078 -0.845) 10.581 10.663 ( 10.213 -11.236 -0.494) 15.192 10.663 ( 10.213 11.236 -0.494) 15.192 10.858 ( 7.082 -2.881 0.688) 7.677 10.858 ( 7.082 2.881 0.688) 7.677 11.259 ( 5.000 -4.235 5.511) 8.562 11.259 ( 5.000 4.235 5.511) 8.562 11.779 ( 0.244 -5.415 -5.840) 7.968 11.779 ( 0.244 5.415 -5.840) 7.968 11.961 ( -4.544 -8.045 2.759) 9.643 11.961 ( -4.544 8.045 2.759) 9.643 12.207 ( 2.719 -5.714 2.260) 6.719 12.207 ( 2.719 5.714 2.260) 6.719 12.532 ( 0.712 -15.575 -10.458) 18.774 12.532 ( 0.712 15.575 -10.458) 18.774 13.147 ( -14.267 -12.190 -0.965) 18.790 13.147 ( -14.267 12.190 -0.965) 18.790 13.428 ( 0.265 -5.484 0.136) 5.492 13.428 ( 0.265 5.484 0.136) 5.492 13.870 ( -0.450 -11.645 -12.054) 16.766 13.870 ( -0.450 11.645 -12.054) 16.766 14.006 ( 8.708 -16.279 -14.795) 23.659 14.006 ( 8.708 16.279 -14.795) 23.659 14.700 ( 11.956 -18.174 -12.897) 25.289 14.700 ( 11.956 18.174 -12.897) 25.289 14.926 ( 10.018 -0.602 -10.696) 14.667 14.926 ( 10.018 0.602 -10.696) 14.667 15.465 ( -5.743 -5.170 -12.237) 14.472 15.465 ( -5.743 5.170 -12.237) 14.472 15.846 ( -6.645 -3.223 -10.850) 13.125 15.846 ( -6.645 3.223 -10.850) 13.125 16.056 ( -6.617 -10.976 -3.127) 13.192 16.056 ( -6.617 10.976 -3.127) 13.192 17.023 ( 13.929 -6.858 15.936) 22.249 17.023 ( 13.929 6.858 15.936) 22.249 17.991 ( -6.868 -7.828 -10.490) 14.781 17.991 ( -6.868 7.828 -10.490) 14.781 19.304 ( 1.735 -7.625 -14.126) 16.146 19.304 ( 1.735 7.625 -14.126) 16.146 19.628 ( -6.025 -5.937 -3.485) 9.148 19.628 ( -6.025 5.937 -3.485) 9.148 20.113 ( -1.139 -6.676 8.064) 10.531 20.113 ( -1.139 6.676 8.064) 10.531 20.383 ( -7.807 -8.579 18.496) 21.832 20.383 ( -7.807 8.579 18.496) 21.832 21.269 ( 2.306 -3.996 -2.936) 5.469 21.269 ( 2.306 3.996 -2.936) 5.469 21.570 ( 0.500 -0.637 -3.083) 3.187 21.570 ( 0.500 0.637 -3.083) 3.187 21.887 ( 7.341 -14.168 -0.205) 15.958 21.887 ( 7.341 14.168 -0.205) 15.958 22.130 ( 6.367 -9.865 8.645) 14.581 22.130 ( 6.367 9.865 8.645) 14.581 22.607 ( -3.360 -8.178 9.145) 12.720 22.607 ( -3.360 8.178 9.145) 12.720 23.043 ( -6.042 -10.439 2.364) 12.291 23.043 ( -6.042 10.439 2.364) 12.291 23.676 ( 9.255 -4.624 4.904) 11.450 23.676 ( 9.255 4.624 4.904) 11.450 23.896 ( 3.168 -3.685 9.845) 10.979 23.896 ( 3.168 3.685 9.845) 10.979 24.144 ( 1.011 -8.093 14.580) 16.706 24.144 ( 1.011 8.093 14.580) 16.706 24.495 ( -5.971 -9.864 3.186) 11.963 24.495 ( -5.971 9.864 3.186) 11.963 26.221 ( 4.207 -2.461 -3.952) 6.275 26.221 ( 4.207 2.461 -3.952) 6.275 26.755 ( -7.616 -2.153 -14.063) 16.137 26.755 ( -7.616 2.153 -14.063) 16.137 27.684 ( 0.609 -0.938 1.854) 2.165 27.684 ( 0.609 0.938 1.854) 2.165 27.800 ( -1.184 -5.802 5.806) 8.293 27.800 ( -1.184 5.802 5.806) 8.293 28.137 ( 3.021 -2.365 0.827) 3.925 28.137 ( 3.021 2.365 0.827) 3.925 28.342 ( -1.443 -1.909 7.117) 7.509 28.342 ( -1.443 1.909 7.117) 7.509 28.408 ( 0.323 -5.711 2.105) 6.095 28.408 ( 0.323 5.711 2.105) 6.095 28.737 ( -6.398 -3.394 -2.015) 7.517 28.737 ( -6.398 3.394 -2.015) 7.517 29.062 ( 4.859 -0.698 4.404) 6.595 29.062 ( 4.859 0.698 4.404) 6.595 29.418 ( -0.367 -5.560 8.927) 10.524 29.418 ( -0.367 5.560 8.927) 10.524 29.514 ( -9.924 -3.179 9.242) 13.928 29.514 ( -9.924 3.179 9.242) 13.928 29.736 ( -4.516 -16.307 1.398) 16.978 29.736 ( -4.516 16.307 1.398) 16.978 30.934 ( 21.187 -13.492 -7.955) 26.347 30.934 ( 21.187 13.492 -7.955) 26.347 31.967 ( -7.936 -16.318 -7.904) 19.792 31.967 ( -7.936 16.318 -7.904) 19.792 ======================= Grid point 64 (27/54) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 3.373 -5.916 0.784) 6.855 1.932 ( 3.373 5.916 0.784) 6.855 1.962 ( 1.042 -7.441 0.464) 7.527 1.962 ( 1.042 7.441 0.464) 7.527 2.125 ( 4.893 -2.376 4.151) 6.842 2.125 ( 4.893 2.376 4.151) 6.842 2.233 ( -5.276 -2.949 3.239) 6.857 2.233 ( -5.276 2.949 3.239) 6.857 2.736 ( 2.879 -1.777 2.027) 3.944 2.736 ( 2.879 1.777 2.027) 3.944 2.797 ( -2.822 -1.577 0.814) 3.333 2.797 ( -2.822 1.577 0.814) 3.333 3.714 ( 12.321 -21.145 11.901) 27.213 3.714 ( 12.321 21.145 11.901) 27.213 3.908 ( 4.964 -10.260 15.623) 19.339 3.908 ( 4.964 10.260 15.623) 19.339 4.029 ( -4.457 -8.989 12.959) 16.389 4.029 ( -4.457 8.989 12.959) 16.389 4.182 ( -9.187 -6.542 15.425) 19.109 4.182 ( -9.187 6.542 15.425) 19.109 4.656 ( 17.506 -7.054 6.289) 19.894 4.656 ( 17.506 7.054 6.289) 19.894 4.956 ( -8.446 -3.003 7.488) 11.679 4.956 ( -8.446 3.003 7.488) 11.679 5.159 ( 10.505 -9.677 6.212) 15.576 5.159 ( 10.505 9.677 6.212) 15.576 5.531 ( -22.477 -4.873 5.597) 23.670 5.531 ( -22.477 4.873 5.597) 23.670 6.021 ( 21.847 -11.138 4.278) 24.893 6.021 ( 21.847 11.138 4.278) 24.893 6.337 ( -6.817 -5.503 11.792) 14.690 6.337 ( -6.817 5.503 11.792) 14.690 6.579 ( 10.605 -17.029 0.318) 20.063 6.579 ( 10.605 17.029 0.318) 20.063 6.968 ( -20.721 -19.355 1.746) 28.409 6.968 ( -20.721 19.355 1.746) 28.409 7.467 ( 17.051 -8.663 5.976) 20.037 7.467 ( 17.051 8.663 5.976) 20.037 7.917 ( -22.392 -3.489 4.020) 23.016 7.917 ( -22.392 3.489 4.020) 23.016 8.486 ( 12.061 -6.085 -11.443) 17.705 8.486 ( 12.061 6.085 -11.443) 17.705 8.720 ( -12.420 -3.868 -12.140) 17.793 8.720 ( -12.420 3.868 -12.140) 17.793 9.164 ( 10.980 -10.161 -1.783) 15.066 9.164 ( 10.980 10.161 -1.783) 15.066 9.451 ( -13.456 -12.181 -2.745) 18.357 9.451 ( -13.456 12.181 -2.745) 18.357 9.921 ( 4.231 -11.004 -0.198) 11.792 9.921 ( 4.231 11.004 -0.198) 11.792 10.086 ( -9.035 -12.330 -2.489) 15.487 10.086 ( -9.035 12.330 -2.489) 15.487 10.851 ( 7.165 -5.952 0.227) 9.317 10.851 ( 7.165 5.952 0.227) 9.317 10.931 ( -0.248 -3.709 0.244) 3.725 10.931 ( -0.248 3.709 0.244) 3.725 11.449 ( 12.473 -3.394 1.411) 13.003 11.449 ( 12.473 3.394 1.411) 13.003 11.695 ( -9.771 -5.360 0.013) 11.145 11.695 ( -9.771 5.360 0.013) 11.145 11.968 ( 6.476 -9.220 -1.882) 11.423 11.968 ( 6.476 9.220 -1.882) 11.423 12.146 ( -8.595 -6.966 -2.769) 11.404 12.146 ( -8.595 6.966 -2.769) 11.404 12.613 ( 8.802 -19.125 -2.463) 21.197 12.613 ( 8.802 19.125 -2.463) 21.197 12.854 ( -13.801 -15.810 0.674) 20.997 12.854 ( -13.801 15.810 0.674) 20.997 13.524 ( 7.957 -6.322 -8.132) 13.016 13.524 ( 7.957 6.322 -8.132) 13.016 13.706 ( -9.288 -7.607 -13.406) 17.996 13.706 ( -9.288 7.607 -13.406) 17.996 14.377 ( 20.221 -16.190 -13.368) 29.150 14.377 ( 20.221 16.190 -13.368) 29.150 14.723 ( -10.717 -16.180 -17.899) 26.402 14.723 ( -10.717 16.180 -17.899) 26.402 15.184 ( 12.793 -3.352 -1.101) 13.270 15.184 ( 12.793 3.352 -1.101) 13.270 15.370 ( -4.746 -4.956 -6.293) 9.310 15.370 ( -4.746 4.956 -6.293) 9.310 15.749 ( 0.572 -8.068 -11.629) 14.165 15.749 ( 0.572 8.068 -11.629) 14.165 15.884 ( -9.557 -12.919 -9.480) 18.657 15.884 ( -9.557 12.919 -9.480) 18.657 17.378 ( 19.482 -8.023 11.560) 24.032 17.378 ( 19.482 8.023 11.560) 24.032 17.755 ( -16.040 -8.693 1.130) 18.279 17.755 ( -16.040 8.693 1.130) 18.279 19.365 ( 4.378 -7.914 -14.038) 16.699 19.365 ( 4.378 7.914 -14.038) 16.699 19.484 ( -7.107 -8.580 -10.613) 15.387 19.484 ( -7.107 8.580 -10.613) 15.387 20.122 ( 2.459 -5.512 12.417) 13.806 20.122 ( 2.459 5.512 12.417) 13.806 20.219 ( -6.993 -6.183 15.768) 18.324 20.219 ( -6.993 6.183 15.768) 18.324 21.355 ( 5.610 -8.904 -1.225) 10.595 21.355 ( 5.610 8.904 -1.225) 10.595 21.482 ( -6.458 -8.503 -1.733) 10.817 21.482 ( -6.458 8.503 -1.733) 10.817 22.098 ( 9.607 -9.294 -3.176) 13.739 22.098 ( 9.607 9.294 -3.176) 13.739 22.219 ( -0.805 -10.314 0.864) 10.381 22.219 ( -0.805 10.314 0.864) 10.381 22.624 ( 7.844 -5.101 9.181) 13.109 22.624 ( 7.844 5.101 9.181) 13.109 22.857 ( -11.812 -10.072 4.362) 16.125 22.857 ( -11.812 10.072 4.362) 16.125 23.872 ( 8.012 -2.297 5.479) 9.974 23.872 ( 8.012 2.297 5.479) 9.974 23.949 ( 0.538 -3.753 8.492) 9.299 23.949 ( 0.538 3.753 8.492) 9.299 24.189 ( 4.374 -9.612 12.577) 16.423 24.189 ( 4.374 9.612 12.577) 16.423 24.336 ( -8.805 -10.242 6.672) 15.064 24.336 ( -8.805 10.242 6.672) 15.064 26.350 ( 8.444 -1.052 -5.720) 10.253 26.350 ( 8.444 1.052 -5.720) 10.253 26.554 ( -10.946 -1.204 -9.549) 14.575 26.554 ( -10.946 1.204 -9.549) 14.575 27.716 ( 2.400 -1.933 1.607) 3.476 27.716 ( 2.400 1.933 1.607) 3.476 27.766 ( -2.195 -2.867 2.387) 4.328 27.766 ( -2.195 2.867 2.387) 4.328 28.213 ( 3.950 -3.473 4.059) 6.644 28.213 ( 3.950 3.473 4.059) 6.644 28.287 ( -3.325 -3.360 5.219) 7.042 28.287 ( -3.325 3.360 5.219) 7.042 28.464 ( 4.923 -4.978 1.480) 7.156 28.464 ( 4.923 4.978 1.480) 7.156 28.594 ( -7.211 -4.005 0.201) 8.251 28.594 ( -7.211 4.005 0.201) 8.251 29.169 ( 5.709 -1.495 9.349) 11.055 29.169 ( 5.709 1.495 9.349) 11.055 29.301 ( -7.461 -1.765 14.802) 16.670 29.301 ( -7.461 1.765 14.802) 16.670 29.488 ( 4.047 -10.154 2.593) 11.234 29.488 ( 4.047 10.154 2.593) 11.234 29.607 ( -6.976 -13.803 1.862) 15.577 29.607 ( -6.976 13.803 1.862) 15.577 31.375 ( 20.367 -16.927 -9.470) 28.125 31.375 ( 20.367 16.927 -9.470) 28.125 31.735 ( -14.660 -16.694 -8.824) 23.905 31.735 ( -14.660 16.694 -8.824) 23.905 ======================= Grid point 75 (28/54) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 0.000 13.468) 13.468 1.863 ( 0.000 0.000 1.769) 1.769 1.963 ( 0.000 0.000 18.913) 18.913 2.039 ( 0.000 0.000 -2.017) 2.017 2.166 ( 0.000 0.000 4.127) 4.127 2.283 ( 0.000 0.000 0.218) 0.218 2.321 ( 0.000 0.000 -13.119) 13.119 2.488 ( 0.000 0.000 -2.445) 2.445 2.537 ( 0.000 0.000 5.562) 5.562 2.567 ( 0.000 0.000 -0.160) 0.160 2.806 ( 0.000 0.000 -0.879) 0.879 2.911 ( 0.000 0.000 14.928) 14.928 2.992 ( 0.000 0.000 14.802) 14.802 3.508 ( 0.000 0.000 16.117) 16.117 4.011 ( 0.000 0.000 -7.745) 7.745 4.108 ( 0.000 0.000 4.380) 4.380 4.232 ( 0.000 0.000 -11.408) 11.408 4.487 ( 0.000 0.000 24.483) 24.483 4.528 ( 0.000 0.000 14.363) 14.363 4.730 ( 0.000 0.000 4.291) 4.291 4.737 ( 0.000 0.000 25.718) 25.718 4.765 ( 0.000 0.000 12.842) 12.842 5.042 ( 0.000 0.000 6.543) 6.543 5.381 ( 0.000 0.000 -1.082) 1.082 5.399 ( 0.000 0.000 -7.795) 7.795 5.453 ( 0.000 0.000 -0.949) 0.949 5.617 ( 0.000 0.000 35.659) 35.659 5.783 ( 0.000 0.000 10.362) 10.362 5.807 ( 0.000 0.000 10.160) 10.160 5.889 ( 0.000 0.000 10.893) 10.893 6.020 ( 0.000 0.000 14.392) 14.392 6.516 ( 0.000 0.000 -4.642) 4.642 6.643 ( 0.000 0.000 15.198) 15.198 6.874 ( 0.000 0.000 -0.754) 0.754 6.951 ( 0.000 0.000 7.361) 7.361 7.393 ( 0.000 0.000 -2.932) 2.932 7.541 ( 0.000 0.000 10.172) 10.172 7.833 ( 0.000 0.000 8.061) 8.061 7.920 ( 0.000 0.000 -2.828) 2.828 7.994 ( 0.000 0.000 1.278) 1.278 8.058 ( 0.000 0.000 -6.503) 6.503 8.784 ( 0.000 0.000 11.572) 11.572 8.882 ( 0.000 0.000 4.223) 4.223 8.994 ( 0.000 0.000 1.914) 1.914 9.251 ( 0.000 0.000 -1.758) 1.758 9.422 ( 0.000 0.000 4.705) 4.705 9.701 ( 0.000 0.000 -20.378) 20.378 9.728 ( 0.000 0.000 -6.932) 6.932 9.870 ( 0.000 0.000 -1.914) 1.914 9.874 ( 0.000 0.000 -2.712) 2.712 9.897 ( 0.000 0.000 -2.589) 2.589 9.911 ( 0.000 0.000 -7.992) 7.992 10.383 ( 0.000 0.000 6.299) 6.299 10.749 ( 0.000 0.000 -15.219) 15.219 10.784 ( 0.000 0.000 -11.230) 11.230 10.919 ( 0.000 0.000 2.627) 2.627 10.969 ( 0.000 0.000 -3.735) 3.735 11.078 ( 0.000 0.000 5.753) 5.753 11.540 ( 0.000 0.000 -1.628) 1.628 11.862 ( 0.000 0.000 11.924) 11.924 12.091 ( 0.000 0.000 -12.544) 12.544 12.227 ( 0.000 0.000 -9.596) 9.596 12.461 ( 0.000 0.000 -14.767) 14.767 12.536 ( 0.000 0.000 9.675) 9.675 12.549 ( 0.000 0.000 3.738) 3.738 12.759 ( 0.000 0.000 2.369) 2.369 12.780 ( 0.000 0.000 -9.410) 9.410 12.817 ( 0.000 0.000 7.706) 7.706 13.022 ( 0.000 0.000 -9.332) 9.332 13.318 ( 0.000 0.000 -3.146) 3.146 13.428 ( 0.000 0.000 -19.517) 19.517 13.577 ( 0.000 0.000 -18.513) 18.513 13.721 ( 0.000 0.000 -9.063) 9.063 14.058 ( 0.000 0.000 -16.895) 16.895 14.273 ( 0.000 0.000 -20.018) 20.018 14.300 ( 0.000 0.000 2.091) 2.091 14.563 ( 0.000 0.000 -1.573) 1.573 14.923 ( 0.000 0.000 8.263) 8.263 15.102 ( 0.000 0.000 -19.619) 19.619 15.448 ( 0.000 0.000 -11.440) 11.440 15.465 ( 0.000 0.000 -26.982) 26.982 15.679 ( 0.000 0.000 -17.869) 17.869 15.902 ( 0.000 0.000 11.944) 11.944 16.760 ( 0.000 0.000 -4.200) 4.200 16.763 ( 0.000 0.000 16.364) 16.364 17.304 ( 0.000 0.000 4.709) 4.709 17.487 ( 0.000 0.000 -21.133) 21.133 17.725 ( 0.000 0.000 -26.303) 26.303 18.979 ( 0.000 0.000 -7.181) 7.181 19.183 ( 0.000 0.000 -21.683) 21.683 19.708 ( 0.000 0.000 1.222) 1.222 19.841 ( 0.000 0.000 -0.208) 0.208 20.026 ( 0.000 0.000 12.262) 12.262 20.618 ( 0.000 0.000 11.178) 11.178 20.632 ( 0.000 0.000 15.220) 15.220 20.924 ( 0.000 0.000 -4.905) 4.905 21.057 ( 0.000 0.000 7.503) 7.503 21.293 ( 0.000 0.000 4.657) 4.657 21.369 ( 0.000 0.000 -4.998) 4.998 21.475 ( 0.000 0.000 2.279) 2.279 21.797 ( 0.000 0.000 -2.478) 2.478 21.830 ( 0.000 0.000 -5.224) 5.224 22.111 ( 0.000 0.000 5.198) 5.198 22.607 ( 0.000 0.000 10.977) 10.977 22.641 ( 0.000 0.000 17.367) 17.367 23.066 ( 0.000 0.000 6.039) 6.039 23.105 ( 0.000 0.000 7.720) 7.720 23.318 ( 0.000 0.000 4.046) 4.046 23.334 ( 0.000 0.000 4.762) 4.762 23.778 ( 0.000 0.000 -4.520) 4.520 24.073 ( 0.000 0.000 15.601) 15.601 24.163 ( 0.000 0.000 10.226) 10.226 24.240 ( 0.000 0.000 6.024) 6.024 24.281 ( 0.000 0.000 5.889) 5.889 24.834 ( 0.000 0.000 16.122) 16.122 24.856 ( 0.000 0.000 3.499) 3.499 25.859 ( 0.000 0.000 -6.965) 6.965 26.008 ( 0.000 0.000 -3.556) 3.556 26.488 ( 0.000 0.000 -0.901) 0.901 26.682 ( 0.000 0.000 -6.208) 6.208 27.498 ( 0.000 0.000 -7.586) 7.586 27.827 ( 0.000 0.000 5.196) 5.196 27.877 ( 0.000 0.000 9.286) 9.286 27.961 ( 0.000 0.000 1.402) 1.402 28.086 ( 0.000 0.000 -2.908) 2.908 28.103 ( 0.000 0.000 -1.884) 1.884 28.354 ( 0.000 0.000 15.771) 15.771 28.368 ( 0.000 0.000 -13.030) 13.030 28.549 ( 0.000 0.000 4.545) 4.545 28.555 ( 0.000 0.000 11.636) 11.636 28.873 ( 0.000 0.000 9.401) 9.401 28.918 ( 0.000 0.000 -2.789) 2.789 29.040 ( 0.000 0.000 3.838) 3.838 29.081 ( 0.000 0.000 -0.070) 0.070 29.171 ( 0.000 0.000 3.498) 3.498 29.620 ( 0.000 0.000 14.310) 14.310 29.738 ( 0.000 0.000 4.077) 4.077 29.858 ( 0.000 0.000 11.914) 11.914 29.942 ( 0.000 0.000 10.082) 10.082 30.246 ( 0.000 0.000 6.513) 6.513 30.319 ( 0.000 0.000 -5.383) 5.383 30.781 ( 0.000 0.000 -4.067) 4.067 31.434 ( 0.000 0.000 -8.046) 8.046 32.182 ( 0.000 0.000 -18.901) 18.901 ======================= Grid point 76 (29/54) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 4.078 0.000 9.657) 10.482 1.858 ( -0.434 0.000 1.666) 1.722 1.971 ( 1.340 0.000 14.950) 15.010 2.060 ( 2.061 0.000 -2.740) 3.429 2.173 ( 0.614 0.000 3.306) 3.362 2.253 ( -2.500 0.000 0.043) 2.500 2.286 ( -3.131 0.000 -11.476) 11.896 2.446 ( -5.210 0.000 1.994) 5.578 2.565 ( 5.819 0.000 -0.933) 5.894 2.638 ( 3.972 0.000 4.569) 6.054 2.822 ( 1.049 0.000 -2.115) 2.360 2.976 ( -1.709 0.000 10.665) 10.801 3.020 ( 10.568 0.000 16.046) 19.214 3.661 ( 13.689 0.000 13.135) 18.971 3.974 ( -9.814 0.000 7.038) 12.077 4.135 ( 9.331 0.000 -5.713) 10.941 4.249 ( 2.392 0.000 -10.537) 10.805 4.491 ( 1.158 0.000 11.711) 11.769 4.634 ( -5.138 0.000 15.589) 16.414 4.758 ( 15.093 0.000 22.519) 27.109 4.844 ( 7.990 0.000 11.795) 14.247 4.925 ( 10.975 0.000 23.597) 26.025 5.017 ( -1.287 0.000 7.259) 7.372 5.217 ( -8.408 0.000 -3.595) 9.144 5.231 ( -13.040 0.000 -3.972) 13.632 5.494 ( -4.783 0.000 18.245) 18.862 5.667 ( 12.845 0.000 -5.803) 14.095 5.760 ( -3.256 0.000 2.422) 4.058 5.872 ( -2.037 0.000 29.297) 29.368 5.880 ( -8.382 0.000 17.608) 19.501 5.985 ( 13.022 0.000 10.976) 17.030 6.655 ( 9.538 0.000 -2.655) 9.901 6.705 ( -10.897 0.000 16.533) 19.801 6.751 ( 0.755 0.000 4.868) 4.926 6.790 ( -8.799 0.000 3.991) 9.662 7.434 ( -6.073 0.000 4.155) 7.358 7.600 ( 14.004 0.000 -6.041) 15.251 7.771 ( -10.637 0.000 -3.467) 11.187 7.905 ( 4.337 0.000 -3.016) 5.283 8.000 ( 3.534 0.000 17.875) 18.221 8.239 ( 9.657 0.000 -4.117) 10.498 8.724 ( -7.908 0.000 10.027) 12.770 8.738 ( -13.965 0.000 0.974) 13.998 8.988 ( 0.147 0.000 2.330) 2.335 9.025 ( -10.274 0.000 1.190) 10.343 9.344 ( -6.070 0.000 3.361) 6.939 9.426 ( -16.937 0.000 -16.217) 23.449 9.664 ( -17.002 0.000 0.635) 17.014 9.790 ( -6.302 0.000 -4.838) 7.945 9.845 ( -5.525 0.000 0.414) 5.540 10.030 ( 19.548 0.000 -11.917) 22.894 10.200 ( 16.073 0.000 -8.288) 18.084 10.272 ( 0.904 0.000 1.393) 1.661 10.792 ( -0.304 0.000 -17.341) 17.343 10.824 ( 4.478 0.000 -12.971) 13.722 10.876 ( -3.868 0.000 4.243) 5.742 11.092 ( -0.187 0.000 6.702) 6.705 11.151 ( 6.449 0.000 0.341) 6.458 11.524 ( 5.169 0.000 -1.382) 5.350 11.763 ( -7.134 0.000 8.225) 10.888 12.148 ( 1.822 0.000 -1.229) 2.198 12.179 ( -6.545 0.000 -2.937) 7.174 12.373 ( -4.691 0.000 1.155) 4.831 12.519 ( 4.735 0.000 -15.141) 15.864 12.706 ( -2.904 0.000 -9.932) 10.348 12.709 ( -2.689 0.000 -1.011) 2.873 12.758 ( 3.655 0.000 10.934) 11.529 12.829 ( 3.735 0.000 2.102) 4.286 13.130 ( 10.357 0.000 -15.003) 18.231 13.255 ( -5.536 0.000 1.333) 5.695 13.345 ( -5.540 0.000 -16.993) 17.874 13.680 ( 6.802 0.000 -22.236) 23.253 13.701 ( -0.739 0.000 -3.572) 3.648 14.010 ( -9.163 0.000 -6.258) 11.097 14.226 ( 3.695 0.000 -14.900) 15.352 14.385 ( 8.457 0.000 -22.894) 24.406 14.670 ( 8.550 0.000 -2.358) 8.869 15.070 ( -3.166 0.000 -18.570) 18.838 15.138 ( 11.206 0.000 0.743) 11.231 15.383 ( -4.203 0.000 -7.764) 8.828 15.425 ( -5.024 0.000 -21.509) 22.088 15.696 ( 6.270 0.000 -14.223) 15.544 15.804 ( -8.862 0.000 11.290) 14.353 16.632 ( -10.780 0.000 13.485) 17.264 16.877 ( 10.225 0.000 -5.273) 11.505 17.454 ( -3.512 0.000 -19.516) 19.829 17.471 ( 13.216 0.000 2.468) 13.444 17.772 ( 3.819 0.000 -22.886) 23.202 18.907 ( -4.105 0.000 -13.272) 13.892 19.309 ( 9.295 0.000 -12.413) 15.508 19.471 ( -15.770 0.000 1.259) 15.820 19.904 ( -0.504 0.000 -2.184) 2.241 20.066 ( 3.907 0.000 12.338) 12.942 20.520 ( -8.222 0.000 13.824) 16.085 20.598 ( -1.006 0.000 12.370) 12.411 21.009 ( -2.790 0.000 10.412) 10.779 21.029 ( 4.765 0.000 -5.269) 7.104 21.034 ( -14.096 0.000 8.968) 16.707 21.442 ( -1.222 0.000 2.286) 2.593 21.583 ( 9.711 0.000 -7.757) 12.429 21.798 ( -0.047 0.000 -3.169) 3.169 21.910 ( 7.560 0.000 -3.766) 8.446 21.980 ( -9.772 0.000 -0.992) 9.822 22.568 ( -6.689 0.000 9.318) 11.471 22.720 ( 7.303 0.000 13.752) 15.571 23.014 ( -3.734 0.000 6.981) 7.917 23.202 ( 10.531 0.000 7.593) 12.982 23.302 ( -0.988 0.000 2.715) 2.890 23.427 ( 6.565 0.000 8.871) 11.036 23.713 ( -7.090 0.000 -4.685) 8.498 24.066 ( -0.576 0.000 14.668) 14.679 24.182 ( 4.852 0.000 8.309) 9.622 24.237 ( -4.126 0.000 6.287) 7.520 24.356 ( 6.968 0.000 7.776) 10.441 24.758 ( -3.200 0.000 12.034) 12.452 24.900 ( 0.419 0.000 9.769) 9.778 25.888 ( 2.645 0.000 -6.740) 7.240 26.011 ( 0.146 0.000 -3.967) 3.970 26.476 ( -0.828 0.000 -0.867) 1.199 26.637 ( -4.042 0.000 -5.337) 6.695 27.518 ( 1.971 0.000 -6.577) 6.866 27.828 ( 0.081 0.000 4.688) 4.688 27.862 ( -7.922 0.000 0.772) 7.959 27.864 ( -1.031 0.000 7.335) 7.407 28.095 ( 1.291 0.000 -4.266) 4.457 28.148 ( 4.105 0.000 0.638) 4.154 28.337 ( -2.561 0.000 -9.540) 9.878 28.425 ( 5.535 0.000 13.215) 14.327 28.470 ( -4.598 0.000 6.044) 7.594 28.610 ( 2.640 0.000 8.941) 9.322 28.832 ( -4.106 0.000 10.822) 11.575 28.860 ( -4.420 0.000 2.013) 4.857 29.090 ( 3.911 0.000 -0.754) 3.983 29.124 ( 3.321 0.000 1.647) 3.707 29.260 ( 8.283 0.000 4.353) 9.357 29.593 ( -2.322 0.000 14.210) 14.398 29.732 ( -8.331 0.000 13.905) 16.210 29.737 ( 0.318 0.000 3.530) 3.545 29.820 ( -8.495 0.000 15.371) 17.562 30.211 ( -9.421 0.000 -4.957) 10.646 30.458 ( 16.326 0.000 2.763) 16.558 31.054 ( 21.059 0.000 -10.608) 23.580 31.357 ( -7.407 0.000 -7.583) 10.600 32.095 ( -8.343 0.000 -18.519) 20.311 ======================= Grid point 77 (30/54) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 3.106 0.000 3.805) 4.912 1.843 ( -1.251 0.000 1.679) 2.094 2.030 ( 4.348 0.000 7.997) 9.102 2.122 ( 3.836 0.000 -4.993) 6.296 2.132 ( -4.868 0.000 2.981) 5.709 2.207 ( -4.291 0.000 -8.274) 9.321 2.257 ( 3.342 0.000 2.034) 3.912 2.344 ( -4.768 0.000 1.505) 5.000 2.668 ( 3.770 0.000 2.964) 4.796 2.702 ( 1.067 0.000 4.661) 4.781 2.849 ( 2.352 0.000 -2.619) 3.520 2.919 ( -3.698 0.000 2.639) 4.543 3.325 ( 18.505 0.000 16.736) 24.951 3.708 ( -17.004 0.000 12.362) 21.023 3.987 ( 15.773 0.000 6.952) 17.237 4.193 ( -3.453 0.000 -3.085) 4.630 4.387 ( 7.595 0.000 -4.061) 8.613 4.523 ( -6.283 0.000 10.516) 12.250 4.543 ( 4.993 0.000 10.346) 11.488 4.706 ( -10.500 0.000 19.830) 22.438 5.012 ( -5.268 0.000 -5.587) 7.679 5.037 ( -5.217 0.000 3.597) 6.337 5.147 ( 14.633 0.000 3.652) 15.082 5.218 ( 19.372 0.000 17.191) 25.900 5.240 ( 15.833 0.000 15.485) 22.146 5.383 ( -8.840 0.000 -0.909) 8.886 5.575 ( -15.130 0.000 11.128) 18.782 5.630 ( -15.170 0.000 23.610) 28.064 5.929 ( 13.040 0.000 24.502) 27.756 6.034 ( 16.478 0.000 3.915) 16.937 6.275 ( 4.731 0.000 14.918) 15.650 6.287 ( -20.667 0.000 17.696) 27.208 6.563 ( -0.794 0.000 6.973) 7.018 6.774 ( -4.403 0.000 4.204) 6.088 7.061 ( 23.084 0.000 -0.330) 23.087 7.373 ( 0.302 0.000 -3.392) 3.406 7.489 ( -12.090 0.000 -4.126) 12.775 7.568 ( -20.140 0.000 -13.002) 23.972 8.136 ( 10.150 0.000 19.422) 21.915 8.152 ( 13.793 0.000 7.877) 15.884 8.279 ( -1.091 0.000 -1.667) 1.992 8.428 ( -17.550 0.000 14.216) 22.585 8.677 ( 8.078 0.000 -2.558) 8.473 8.851 ( -7.773 0.000 -1.961) 8.016 9.065 ( 6.906 0.000 1.312) 7.030 9.166 ( -6.749 0.000 -12.068) 13.827 9.217 ( -6.919 0.000 -0.025) 6.919 9.270 ( -17.301 0.000 -2.100) 17.428 9.676 ( -2.657 0.000 -4.720) 5.416 9.711 ( -5.405 0.000 -2.301) 5.874 10.393 ( 14.271 0.000 -12.027) 18.663 10.458 ( 13.464 0.000 -2.418) 13.679 10.492 ( 8.826 0.000 -10.011) 13.346 10.706 ( -8.875 0.000 -10.321) 13.612 10.799 ( -0.323 0.000 10.088) 10.094 10.940 ( 6.515 0.000 -13.503) 14.993 10.978 ( -11.437 0.000 9.186) 14.669 11.083 ( -7.395 0.000 -9.190) 11.796 11.728 ( 5.929 0.000 4.584) 7.494 11.804 ( 16.276 0.000 5.922) 17.320 11.953 ( -13.565 0.000 3.017) 13.897 12.069 ( -8.802 0.000 9.061) 12.632 12.385 ( 4.171 0.000 -5.056) 6.555 12.524 ( -9.400 0.000 -4.236) 10.310 12.605 ( 3.191 0.000 -14.131) 14.486 12.657 ( -2.187 0.000 -12.242) 12.436 12.932 ( 9.206 0.000 9.005) 12.878 12.957 ( 8.618 0.000 -3.559) 9.324 13.113 ( -8.213 0.000 8.086) 11.525 13.141 ( -8.365 0.000 -10.731) 13.606 13.483 ( 15.760 0.000 -22.526) 27.492 13.719 ( 2.658 0.000 -1.426) 3.016 13.721 ( -5.042 0.000 -24.786) 25.294 13.818 ( -7.376 0.000 -2.849) 7.907 14.400 ( 9.825 0.000 -25.995) 27.790 14.507 ( 1.141 0.000 -27.757) 27.780 14.836 ( 7.174 0.000 -7.498) 10.378 14.973 ( -6.148 0.000 -14.624) 15.864 15.224 ( 0.331 0.000 -12.632) 12.637 15.280 ( -6.440 0.000 -15.374) 16.668 15.386 ( 5.836 0.000 1.658) 6.067 15.583 ( -11.670 0.000 8.793) 14.612 15.997 ( 19.138 0.000 0.639) 19.149 16.362 ( -15.715 0.000 8.239) 17.744 17.116 ( 12.036 0.000 -9.019) 15.040 17.332 ( -8.561 0.000 -14.765) 17.067 17.730 ( 10.053 0.000 -6.525) 11.985 17.830 ( 0.221 0.000 -15.086) 15.088 18.895 ( 4.644 0.000 -9.798) 10.843 19.116 ( -15.765 0.000 0.193) 15.766 19.551 ( 12.295 0.000 -8.018) 14.678 19.788 ( -9.877 0.000 -4.468) 10.841 20.181 ( 7.166 0.000 12.737) 14.615 20.345 ( -8.617 0.000 13.460) 15.982 20.624 ( 4.214 0.000 13.887) 14.512 20.776 ( -10.571 0.000 13.129) 16.856 20.969 ( 0.286 0.000 7.543) 7.549 21.024 ( -4.051 0.000 4.864) 6.330 21.539 ( 10.047 0.000 -4.954) 11.202 21.726 ( 4.561 0.000 -7.748) 8.991 21.766 ( -11.134 0.000 -6.755) 13.023 21.785 ( -1.535 0.000 -5.281) 5.500 22.113 ( 11.663 0.000 -0.178) 11.664 22.361 ( -12.096 0.000 3.813) 12.682 22.880 ( 6.330 0.000 9.146) 11.122 22.956 ( -2.201 0.000 8.405) 8.689 23.328 ( 5.223 0.000 -1.509) 5.436 23.436 ( 9.492 0.000 10.770) 14.356 23.514 ( -11.172 0.000 -4.532) 12.056 23.521 ( 1.232 0.000 11.925) 11.988 24.064 ( 1.150 0.000 11.605) 11.662 24.133 ( -5.191 0.000 7.848) 9.409 24.322 ( 7.279 0.000 7.745) 10.629 24.426 ( -1.497 0.000 7.399) 7.549 24.759 ( 3.746 0.000 13.600) 14.106 24.857 ( -4.325 0.000 12.274) 13.014 25.953 ( 3.256 0.000 -6.037) 6.859 26.002 ( -1.338 0.000 -5.004) 5.179 26.477 ( 1.434 0.000 -1.406) 2.008 26.541 ( -4.584 0.000 -3.272) 5.632 27.582 ( 4.361 0.000 -3.887) 5.841 27.700 ( -7.220 0.000 -0.921) 7.278 27.831 ( 0.340 0.000 4.306) 4.320 27.843 ( -0.850 0.000 5.107) 5.178 28.155 ( 4.510 0.000 -7.820) 9.027 28.252 ( 5.692 0.000 3.477) 6.670 28.258 ( -4.938 0.000 -9.970) 11.126 28.367 ( -5.411 0.000 4.785) 7.223 28.560 ( 7.371 0.000 14.688) 16.434 28.674 ( 3.789 0.000 7.815) 8.685 28.713 ( -7.158 0.000 13.456) 15.242 28.763 ( -4.793 0.000 5.641) 7.403 29.168 ( 2.910 0.000 -0.850) 3.032 29.182 ( 1.613 0.000 0.625) 1.730 29.470 ( 10.852 0.000 8.051) 13.512 29.552 ( -0.858 0.000 14.848) 14.872 29.591 ( -4.839 0.000 15.432) 16.173 29.655 ( -7.609 0.000 12.993) 15.057 29.788 ( 5.359 0.000 4.673) 7.110 29.977 ( -12.136 0.000 -1.790) 12.267 30.815 ( 17.515 0.000 -2.419) 17.681 31.139 ( -13.733 0.000 -5.904) 14.948 31.491 ( 20.316 0.000 -16.273) 26.030 31.854 ( -15.065 0.000 -17.873) 23.375 ======================= Grid point 80 (31/54) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 6.505 8.707) 10.868 1.856 ( 0.000 0.173 2.291) 2.298 1.982 ( 0.000 -1.209 6.541) 6.652 2.002 ( 0.000 -2.094 3.958) 4.478 2.174 ( 0.000 0.294 4.411) 4.420 2.188 ( 0.000 -6.099 -2.787) 6.705 2.342 ( 0.000 3.850 1.816) 4.256 2.503 ( 0.000 -0.438 1.441) 1.506 2.557 ( 0.000 0.399 -4.649) 4.666 2.595 ( 0.000 2.065 -2.690) 3.391 2.838 ( 0.000 3.246 2.363) 4.015 2.949 ( 0.000 0.856 10.022) 10.058 3.219 ( 0.000 21.759 15.361) 26.635 3.586 ( 0.000 6.853 17.500) 18.794 3.966 ( 0.000 -4.624 1.981) 5.030 4.118 ( 0.000 -2.156 7.179) 7.496 4.275 ( 0.000 1.489 -4.755) 4.982 4.365 ( 0.000 -7.561 12.142) 14.304 4.404 ( 0.000 -12.255 13.615) 18.318 4.526 ( 0.000 -3.283 1.000) 3.432 4.645 ( 0.000 -6.533 15.437) 16.762 4.893 ( 0.000 -4.323 3.605) 5.629 4.974 ( 0.000 5.450 13.924) 14.952 5.191 ( 0.000 -14.105 -0.728) 14.124 5.363 ( 0.000 0.500 4.810) 4.836 5.478 ( 0.000 1.793 9.127) 9.302 5.630 ( 0.000 -5.387 19.284) 20.022 5.695 ( 0.000 -13.751 21.890) 25.851 5.954 ( 0.000 13.039 17.502) 21.825 5.992 ( 0.000 12.215 7.154) 14.156 6.224 ( 0.000 13.665 -4.343) 14.339 6.531 ( 0.000 0.920 -1.432) 1.702 6.749 ( 0.000 6.821 18.078) 19.322 6.821 ( 0.000 4.453 5.864) 7.363 7.012 ( 0.000 -1.162 7.972) 8.056 7.349 ( 0.000 -9.366 10.303) 13.924 7.531 ( 0.000 6.627 -9.446) 11.539 7.706 ( 0.000 -5.084 12.824) 13.795 7.993 ( 0.000 -2.151 0.565) 2.224 8.059 ( 0.000 -4.242 1.994) 4.687 8.089 ( 0.000 9.753 -5.445) 11.170 8.462 ( 0.000 -14.110 0.874) 14.137 8.956 ( 0.000 -4.020 -1.715) 4.370 9.081 ( 0.000 -16.701 -5.927) 17.722 9.208 ( 0.000 15.442 1.725) 15.538 9.279 ( 0.000 3.480 -0.516) 3.518 9.586 ( 0.000 -7.907 2.388) 8.260 9.612 ( 0.000 -3.835 -3.052) 4.901 9.849 ( 0.000 -0.060 -8.931) 8.931 9.867 ( 0.000 4.660 -6.020) 7.613 10.188 ( 0.000 17.572 0.585) 17.581 10.284 ( 0.000 3.671 0.725) 3.742 10.478 ( 0.000 15.393 -4.384) 16.005 10.605 ( 0.000 -15.044 -6.253) 16.292 10.697 ( 0.000 -3.679 -8.215) 9.001 10.729 ( 0.000 -2.675 -5.163) 5.814 11.126 ( 0.000 3.656 2.606) 4.490 11.258 ( 0.000 14.602 -2.111) 14.754 11.525 ( 0.000 -2.283 -0.618) 2.365 11.855 ( 0.000 -11.743 -5.265) 12.870 12.014 ( 0.000 8.162 5.509) 9.848 12.180 ( 0.000 -6.434 -4.596) 7.907 12.290 ( 0.000 -14.215 2.592) 14.450 12.429 ( 0.000 -3.939 -13.703) 14.257 12.472 ( 0.000 -12.323 12.205) 17.344 12.484 ( 0.000 -5.840 1.322) 5.988 12.911 ( 0.000 11.487 -13.939) 18.062 13.166 ( 0.000 16.529 -11.792) 20.304 13.232 ( 0.000 0.669 -7.697) 7.726 13.287 ( 0.000 12.263 -5.275) 13.350 13.359 ( 0.000 -1.289 -14.062) 14.121 13.608 ( 0.000 -3.898 -13.152) 13.717 13.896 ( 0.000 -11.877 -10.757) 16.025 13.925 ( 0.000 15.409 -12.481) 19.830 14.196 ( 0.000 -8.681 0.187) 8.683 14.294 ( 0.000 0.831 -22.719) 22.734 14.634 ( 0.000 5.201 0.715) 5.250 14.851 ( 0.000 -5.384 10.020) 11.375 15.152 ( 0.000 1.839 -20.934) 21.014 15.237 ( 0.000 -8.567 -18.669) 20.541 15.608 ( 0.000 2.994 -19.686) 19.912 15.618 ( 0.000 -3.169 -16.960) 17.254 16.021 ( 0.000 11.009 12.901) 16.959 16.629 ( 0.000 -11.582 15.254) 19.153 16.862 ( 0.000 8.388 -3.494) 9.087 17.237 ( 0.000 -6.008 3.033) 6.730 17.549 ( 0.000 4.771 -20.015) 20.575 17.707 ( 0.000 -1.756 -24.279) 24.342 18.969 ( 0.000 -0.285 -9.624) 9.628 19.111 ( 0.000 -5.610 -19.501) 20.292 19.699 ( 0.000 -0.212 1.946) 1.958 19.790 ( 0.000 -3.800 0.596) 3.846 20.115 ( 0.000 7.268 11.142) 13.303 20.506 ( 0.000 -8.747 11.213) 14.221 20.670 ( 0.000 3.532 14.725) 15.143 20.949 ( 0.000 -4.224 5.233) 6.725 21.014 ( 0.000 1.307 -3.006) 3.278 21.289 ( 0.000 -6.512 -5.544) 8.552 21.372 ( 0.000 8.188 6.926) 10.724 21.591 ( 0.000 9.545 1.197) 9.620 21.738 ( 0.000 -5.189 -0.562) 5.219 21.875 ( 0.000 2.139 -5.478) 5.881 22.170 ( 0.000 5.494 10.194) 11.580 22.545 ( 0.000 -7.701 17.897) 19.484 22.677 ( 0.000 5.343 9.776) 11.140 22.955 ( 0.000 -6.295 6.832) 9.290 23.074 ( 0.000 -2.158 6.162) 6.529 23.312 ( 0.000 -4.703 2.566) 5.358 23.479 ( 0.000 11.348 3.959) 12.019 23.691 ( 0.000 -2.620 0.785) 2.735 24.087 ( 0.000 -5.664 8.176) 9.947 24.143 ( 0.000 -7.843 4.687) 9.137 24.224 ( 0.000 10.550 14.789) 18.166 24.379 ( 0.000 7.590 7.248) 10.495 24.723 ( 0.000 -8.694 15.210) 17.519 24.784 ( 0.000 -6.352 3.810) 7.406 25.941 ( 0.000 7.009 -6.007) 9.231 26.139 ( 0.000 6.953 -2.620) 7.430 26.463 ( 0.000 -0.282 -8.029) 8.034 26.668 ( 0.000 -2.067 -7.922) 8.187 27.586 ( 0.000 6.737 -5.571) 8.742 27.732 ( 0.000 -4.431 0.992) 4.540 27.881 ( 0.000 2.122 9.378) 9.615 27.964 ( 0.000 -4.715 -3.490) 5.866 28.102 ( 0.000 5.254 4.310) 6.795 28.197 ( 0.000 -0.578 2.538) 2.603 28.332 ( 0.000 2.113 11.171) 11.369 28.363 ( 0.000 1.478 -11.523) 11.617 28.529 ( 0.000 -2.059 4.027) 4.523 28.553 ( 0.000 -0.818 9.997) 10.031 28.841 ( 0.000 -2.401 9.143) 9.453 28.872 ( 0.000 -3.933 -0.222) 3.940 29.051 ( 0.000 0.935 3.941) 4.051 29.094 ( 0.000 -0.121 2.552) 2.555 29.247 ( 0.000 8.041 -0.796) 8.080 29.663 ( 0.000 -6.668 2.039) 6.972 29.688 ( 0.000 6.050 13.043) 14.378 29.867 ( 0.000 0.817 12.067) 12.094 29.919 ( 0.000 -1.622 10.068) 10.197 30.108 ( 0.000 -10.401 4.740) 11.430 30.431 ( 0.000 8.066 -0.591) 8.088 30.739 ( 0.000 -4.003 -3.070) 5.045 31.569 ( 0.000 11.173 -9.729) 14.815 32.085 ( 0.000 -8.632 -17.010) 19.075 ======================= Grid point 81 (32/54) ======================= q-point: ( 0.20 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.916 5.639 6.030) 8.756 1.852 ( 0.041 0.616 2.647) 2.718 1.997 ( 1.205 -1.753 3.260) 3.893 2.025 ( 1.856 -1.498 2.792) 3.672 2.169 ( -0.243 -3.814 -0.277) 3.832 2.188 ( 0.090 -0.448 1.915) 1.969 2.304 ( -2.956 2.793 0.569) 4.106 2.444 ( -5.153 -1.792 0.887) 5.528 2.598 ( 5.150 2.920 -2.857) 6.573 2.670 ( 4.283 1.499 0.684) 4.589 2.837 ( -0.323 1.818 1.069) 2.134 2.940 ( -1.277 -1.111 8.601) 8.766 3.278 ( 6.764 20.239 14.930) 26.044 3.742 ( 13.616 7.086 13.482) 20.430 3.984 ( -1.901 -1.082 8.960) 9.223 4.165 ( 5.816 1.879 -1.540) 6.303 4.239 ( -0.429 -2.664 -1.788) 3.237 4.358 ( 0.102 -6.971 7.666) 10.362 4.492 ( 7.004 -13.652 11.990) 19.473 4.617 ( 6.240 -12.389 5.201) 14.815 4.728 ( 2.884 1.174 15.607) 15.915 4.806 ( -5.313 -8.637 7.799) 12.792 5.056 ( -0.047 -0.291 3.644) 3.655 5.164 ( 1.899 -0.470 18.942) 19.043 5.378 ( 0.718 -2.365 3.907) 4.623 5.481 ( 2.412 4.992 9.435) 10.944 5.602 ( -4.283 -5.888 10.706) 12.947 5.716 ( 10.525 -2.872 9.160) 14.246 5.944 ( -3.879 8.994 15.197) 18.080 6.076 ( 2.943 12.466 6.873) 14.536 6.082 ( -3.317 6.712 14.486) 16.306 6.586 ( 1.892 0.964 1.856) 2.820 6.751 ( -6.312 3.073 8.363) 10.919 6.825 ( -12.131 1.871 7.699) 14.489 6.917 ( 10.976 6.198 11.920) 17.349 7.292 ( -4.547 -11.861 3.585) 13.199 7.592 ( -8.803 -1.279 -0.114) 8.896 7.687 ( 12.565 5.206 -5.133) 14.537 7.922 ( -5.495 -2.490 13.557) 14.839 8.092 ( 3.442 1.799 0.002) 3.884 8.281 ( 13.010 0.010 -3.287) 13.419 8.431 ( -4.404 -13.011 1.820) 13.856 8.829 ( -14.835 -1.548 -4.594) 15.607 8.907 ( -14.929 1.137 4.056) 15.512 9.079 ( -5.642 -12.160 -7.713) 15.466 9.239 ( -6.313 4.203 -0.619) 7.610 9.369 ( -8.026 1.126 -1.720) 8.285 9.660 ( 1.137 -0.997 3.977) 4.255 9.786 ( -10.075 1.119 -2.546) 10.452 9.929 ( 0.999 1.809 -7.610) 7.885 10.146 ( -6.903 5.105 -2.030) 8.823 10.215 ( 0.083 2.471 -7.709) 8.096 10.479 ( 10.218 10.397 -3.162) 14.917 10.651 ( 3.833 -4.065 -4.730) 7.320 10.828 ( 6.492 2.904 -6.429) 9.587 10.852 ( 5.168 -0.941 -5.795) 7.822 11.150 ( 2.546 3.059 1.902) 4.411 11.304 ( 0.361 9.919 3.015) 10.374 11.531 ( 6.367 0.713 -4.294) 7.713 11.889 ( -1.898 0.470 5.618) 5.949 11.945 ( -2.523 -4.598 -3.036) 6.060 12.175 ( -1.745 -6.195 -4.713) 7.978 12.235 ( -5.854 -8.848 1.739) 10.751 12.423 ( -2.130 -13.570 -9.536) 16.722 12.444 ( 0.391 -7.693 13.186) 15.272 12.551 ( 4.226 -1.596 -9.062) 10.125 12.857 ( -3.853 4.935 -4.935) 7.972 13.089 ( -2.059 7.560 -5.720) 9.701 13.294 ( -2.922 -0.875 -22.567) 22.772 13.317 ( 1.007 6.985 -2.398) 7.453 13.369 ( 5.884 13.698 -9.447) 17.650 13.572 ( -0.119 -1.924 -4.783) 5.157 13.868 ( -6.664 -10.252 -10.311) 15.995 13.975 ( 2.775 12.406 -12.540) 17.856 14.108 ( 2.293 -8.206 -13.518) 15.979 14.385 ( 6.794 -0.889 -25.637) 26.537 14.759 ( 9.690 7.393 -0.806) 12.215 15.068 ( 6.858 -1.328 -5.315) 8.777 15.159 ( 5.513 0.196 -9.341) 10.848 15.236 ( 1.406 -7.252 -11.697) 13.834 15.497 ( -8.667 1.798 -18.647) 20.642 15.612 ( 1.239 -4.777 -13.112) 14.010 15.921 ( -8.739 9.923 11.097) 17.262 16.502 ( -10.690 -11.281 13.244) 20.419 16.982 ( 10.321 8.755 -4.375) 14.223 17.392 ( 12.326 -6.740 0.874) 14.076 17.525 ( -2.484 5.442 -18.697) 19.631 17.744 ( 2.822 -2.727 -21.268) 21.627 18.926 ( -1.993 2.313 -13.350) 13.695 19.206 ( 7.641 -8.273 -13.019) 17.214 19.497 ( -14.833 2.951 2.008) 15.256 19.784 ( -4.162 -8.572 -0.318) 9.534 20.159 ( 3.588 6.712 11.327) 13.647 20.487 ( -1.083 -6.389 12.784) 14.332 20.581 ( -6.802 2.987 14.052) 15.895 20.890 ( -8.184 -9.066 10.864) 16.347 21.083 ( 5.318 4.491 -6.410) 9.463 21.151 ( -4.153 7.271 6.160) 10.395 21.505 ( 5.805 -0.781 -4.308) 7.271 21.565 ( -2.271 5.059 -0.679) 5.587 21.752 ( 1.489 -2.169 -1.237) 2.907 21.950 ( 7.345 1.511 -3.992) 8.495 22.086 ( -6.310 8.715 3.331) 11.264 22.572 ( -3.650 -6.501 10.066) 12.526 22.654 ( 3.039 1.256 12.644) 13.064 22.930 ( -2.431 -6.083 7.891) 10.255 23.079 ( 0.013 -5.212 7.187) 8.878 23.293 ( -0.941 -6.879 2.581) 7.407 23.563 ( 6.277 10.365 3.926) 12.737 23.724 ( 2.931 4.577 2.696) 6.067 24.091 ( 3.215 -5.511 6.490) 9.101 24.209 ( -0.316 6.486 10.596) 12.428 24.254 ( 5.439 -3.998 10.102) 12.150 24.352 ( -2.175 7.324 7.756) 10.887 24.677 ( -2.702 -7.121 12.720) 14.826 24.793 ( -0.547 -8.669 8.410) 12.091 25.976 ( 3.245 7.310 -6.260) 10.156 26.137 ( -0.292 7.943 -3.354) 8.627 26.452 ( -0.865 -1.474 -6.766) 6.978 26.614 ( -4.764 -2.442 -6.721) 8.592 27.597 ( 1.012 6.176 -5.078) 8.059 27.723 ( -1.016 -3.524 0.641) 3.723 27.850 ( -2.237 -0.906 5.032) 5.581 27.908 ( -4.334 -1.244 1.140) 4.651 28.130 ( 3.378 3.370 3.389) 5.853 28.217 ( 0.610 3.822 -0.888) 3.971 28.335 ( -1.441 -1.247 -9.807) 9.991 28.399 ( 5.212 1.272 12.949) 14.016 28.463 ( -4.358 -1.104 4.288) 6.212 28.590 ( 2.173 -2.131 8.688) 9.205 28.790 ( -4.273 -2.348 9.005) 10.240 28.838 ( -3.324 -2.592 4.660) 6.284 29.108 ( 4.695 0.960 1.851) 5.138 29.154 ( 5.200 1.250 1.769) 5.633 29.289 ( 4.071 4.978 1.022) 6.512 29.655 ( -1.823 2.687 10.452) 10.945 29.669 ( -0.541 -3.431 3.934) 5.248 29.751 ( -7.989 1.526 14.446) 16.579 29.808 ( -7.649 -0.826 15.819) 17.591 30.057 ( -6.387 -10.943 1.489) 12.758 30.594 ( 14.640 9.720 -1.241) 17.617 30.987 ( 19.592 -5.976 -8.914) 22.339 31.490 ( -7.635 10.976 -9.359) 16.320 32.000 ( -8.211 -8.509 -16.742) 20.496 ======================= Grid point 82 (33/54) ======================= q-point: ( 0.40 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 1.781 3.858 1.949) 4.675 1.860 ( 0.281 2.004 1.346) 2.430 2.028 ( 1.811 -2.705 0.429) 3.284 2.054 ( 0.113 -3.928 -1.945) 4.385 2.162 ( 0.669 0.967 0.989) 1.536 2.197 ( -0.949 1.746 1.986) 2.809 2.264 ( 0.982 0.171 1.723) 1.990 2.338 ( -4.952 -1.364 1.107) 5.254 2.699 ( 4.085 2.659 1.585) 5.125 2.739 ( 1.228 2.799 3.825) 4.896 2.833 ( 1.027 -1.194 -1.088) 1.914 2.890 ( -3.346 -2.119 3.322) 5.169 3.508 ( 14.998 15.944 14.229) 26.108 3.819 ( -13.127 9.842 10.500) 19.478 4.055 ( 13.455 5.158 7.013) 16.026 4.204 ( -1.462 1.107 0.062) 1.835 4.347 ( 6.889 -4.580 5.678) 10.034 4.428 ( 5.472 -7.095 6.250) 10.924 4.554 ( -7.055 -13.809 15.629) 22.016 4.560 ( -2.689 -6.800 8.080) 10.898 4.707 ( 0.262 -11.477 -0.116) 11.480 4.863 ( -10.081 -2.178 -2.308) 10.568 4.976 ( 15.873 -9.385 7.652) 19.964 5.279 ( -7.400 -5.651 9.419) 13.244 5.412 ( 9.733 -0.988 24.608) 26.481 5.485 ( -0.197 5.075 8.919) 10.264 5.558 ( -0.511 15.926 6.570) 17.235 5.789 ( -15.004 4.021 23.823) 28.440 6.013 ( 13.845 4.402 10.634) 18.005 6.109 ( 16.654 2.194 5.206) 17.586 6.304 ( 4.935 12.820 15.377) 20.619 6.479 ( -5.754 9.142 16.352) 19.598 6.535 ( -10.305 -0.798 4.386) 11.228 6.681 ( -3.541 -2.922 0.830) 4.666 7.126 ( 4.793 -10.441 7.761) 13.865 7.327 ( -10.180 -12.149 -1.501) 15.921 7.349 ( 8.939 11.202 -0.329) 14.336 7.673 ( -12.356 7.262 -7.723) 16.281 8.034 ( 6.986 -7.591 15.992) 19.031 8.161 ( 3.145 -2.915 8.325) 9.365 8.264 ( -1.480 -1.091 4.434) 4.800 8.461 ( -9.121 1.875 -3.205) 9.848 8.535 ( 0.407 -11.495 -2.247) 11.719 8.664 ( -10.067 -12.777 -3.483) 16.635 8.964 ( 2.212 0.720 -5.900) 6.343 9.111 ( -9.020 10.762 -2.776) 14.314 9.357 ( 6.481 -4.336 -2.020) 8.055 9.545 ( -11.293 2.852 -0.727) 11.671 9.690 ( 1.195 6.278 0.385) 6.403 9.791 ( -8.684 11.529 -3.988) 14.975 10.135 ( 6.471 -11.010 -5.134) 13.764 10.258 ( -1.772 -13.511 -9.783) 16.775 10.728 ( 8.658 9.099 -2.016) 12.721 10.733 ( 5.252 0.003 -0.549) 5.280 10.864 ( -1.051 5.066 -4.853) 7.094 10.904 ( -0.859 8.178 -4.070) 9.175 11.211 ( 2.849 8.977 -2.318) 9.699 11.263 ( -2.061 13.209 -0.874) 13.397 11.777 ( 8.619 -0.809 0.143) 8.658 11.812 ( 4.913 3.920 4.645) 7.816 11.890 ( -6.152 -8.011 0.103) 10.101 12.053 ( -8.516 -1.043 1.026) 8.641 12.189 ( 0.567 -11.938 -6.221) 13.473 12.264 ( -7.790 -16.688 -3.047) 18.667 12.520 ( 4.483 -4.906 2.790) 7.207 12.599 ( -1.713 1.912 -8.051) 8.451 12.860 ( 5.756 -6.174 -3.231) 9.038 13.025 ( -7.380 -5.425 -5.983) 10.940 13.226 ( 0.606 11.187 -7.613) 13.546 13.280 ( -2.996 8.116 1.226) 8.738 13.524 ( 6.079 -2.576 -11.678) 13.415 13.635 ( -2.863 0.253 -5.938) 6.597 13.762 ( 7.690 2.571 -13.645) 15.872 13.968 ( -6.215 13.259 -20.384) 25.098 14.283 ( 11.374 -9.754 -24.285) 28.535 14.452 ( -2.700 -5.609 -28.131) 28.811 14.925 ( 6.653 7.154 -9.045) 13.314 15.045 ( -4.045 5.767 -14.568) 16.182 15.236 ( 0.491 -1.267 -14.480) 14.544 15.308 ( -5.621 -1.765 -12.923) 14.202 15.380 ( 9.682 4.789 0.780) 10.830 15.635 ( -10.899 5.989 12.109) 17.358 15.885 ( 15.249 -9.226 1.310) 17.870 16.230 ( -15.787 -11.538 9.090) 21.563 17.219 ( 11.649 8.803 -8.227) 16.760 17.419 ( -7.456 7.451 -14.260) 17.733 17.650 ( 10.368 -7.181 -6.375) 14.132 17.772 ( -1.423 -5.380 -14.628) 15.650 18.952 ( 5.737 5.505 -9.294) 12.231 19.173 ( -14.917 5.493 -0.477) 15.903 19.398 ( 10.607 -11.904 -7.771) 17.737 19.623 ( -10.556 -12.399 -3.259) 16.607 20.255 ( 5.967 5.429 12.873) 15.192 20.399 ( -7.668 4.218 13.975) 16.489 20.538 ( 3.799 -6.432 14.356) 16.183 20.681 ( -9.844 -7.269 14.108) 18.675 21.120 ( 1.351 11.270 3.431) 11.858 21.154 ( -0.721 9.592 1.384) 9.718 21.544 ( 2.461 -2.388 -3.441) 4.858 21.588 ( -0.010 -8.086 -7.281) 10.881 21.808 ( 5.109 6.708 -4.322) 9.475 21.946 ( -7.351 11.298 -3.528) 13.933 22.147 ( 11.124 0.829 -1.438) 11.247 22.382 ( -11.535 -0.248 2.739) 11.858 22.806 ( 7.503 -5.046 9.174) 12.881 22.895 ( -1.533 -3.943 9.172) 10.101 23.073 ( 2.175 -12.346 6.398) 14.075 23.208 ( -7.825 -13.861 3.586) 16.316 23.715 ( 7.426 13.472 4.513) 16.032 23.784 ( 1.167 12.860 5.955) 14.219 24.165 ( 1.645 3.328 7.788) 8.628 24.193 ( -1.203 3.071 6.924) 7.670 24.294 ( 1.781 2.466 10.424) 10.859 24.348 ( -0.652 -5.135 9.002) 10.384 24.667 ( 2.476 -7.966 13.192) 15.608 24.746 ( -3.871 -9.408 11.807) 15.585 26.057 ( 4.090 8.519 -6.592) 11.522 26.119 ( -1.773 9.443 -5.373) 11.008 26.445 ( 0.857 -3.745 -4.202) 5.693 26.506 ( -4.903 -3.607 -4.328) 7.469 27.628 ( 2.137 4.230 -3.496) 5.890 27.682 ( -2.854 0.414 -1.110) 3.091 27.821 ( -0.011 -2.562 2.302) 3.445 27.844 ( -1.972 -0.824 2.802) 3.524 28.198 ( 2.838 3.649 -2.803) 5.406 28.242 ( 0.417 1.106 -1.962) 2.291 28.298 ( 0.145 1.380 -4.893) 5.086 28.369 ( -4.638 -0.438 2.980) 5.530 28.537 ( 7.399 -0.808 14.445) 16.249 28.650 ( 3.951 -2.370 7.995) 9.228 28.681 ( -6.392 -1.565 12.467) 14.098 28.747 ( -5.159 -2.041 6.838) 8.806 29.206 ( 4.133 2.856 0.752) 5.080 29.240 ( 1.556 5.699 -0.418) 5.923 29.420 ( 8.498 -3.676 5.683) 10.864 29.587 ( -6.827 -2.025 8.953) 11.439 29.613 ( -2.012 3.475 14.879) 15.411 29.638 ( -3.840 0.460 12.301) 12.894 29.743 ( 3.276 -3.013 11.340) 12.182 29.882 ( -9.222 -7.269 3.601) 12.282 30.938 ( 17.482 10.144 -5.143) 20.856 31.264 ( -13.634 10.379 -8.079) 18.944 31.406 ( 19.398 -7.504 -14.355) 25.272 31.762 ( -14.879 -8.260 -16.165) 23.471 ======================= Grid point 85 (34/54) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 -4.869 1.777) 5.183 1.900 ( 0.000 4.869 1.777) 5.183 1.904 ( 0.000 -5.829 2.108) 6.199 1.904 ( 0.000 5.829 2.108) 6.198 2.162 ( 0.000 -1.305 5.933) 6.074 2.162 ( 0.000 1.305 5.933) 6.074 2.439 ( 0.000 -4.485 3.173) 5.494 2.439 ( 0.000 4.485 3.173) 5.494 2.593 ( 0.000 -1.665 -6.182) 6.402 2.593 ( 0.000 1.665 -6.182) 6.402 2.922 ( 0.000 -3.403 6.213) 7.084 2.922 ( 0.000 3.403 6.213) 7.084 3.732 ( 0.000 -6.902 14.706) 16.245 3.732 ( 0.000 6.902 14.706) 16.245 3.850 ( 0.000 -9.375 14.384) 17.169 3.850 ( 0.000 9.375 14.384) 17.169 4.268 ( 0.000 -0.611 7.409) 7.434 4.268 ( 0.000 0.611 7.409) 7.434 4.327 ( 0.000 -4.899 -2.359) 5.437 4.327 ( 0.000 4.899 -2.359) 5.437 4.814 ( 0.000 -15.295 7.162) 16.889 4.814 ( 0.000 15.295 7.162) 16.889 4.987 ( 0.000 -7.417 3.334) 8.131 4.987 ( 0.000 7.417 3.334) 8.131 5.429 ( 0.000 -7.182 14.203) 15.916 5.429 ( 0.000 7.182 14.203) 15.916 5.535 ( 0.000 -3.026 14.630) 14.940 5.535 ( 0.000 3.026 14.630) 14.940 6.123 ( 0.000 -1.112 12.591) 12.640 6.123 ( 0.000 1.112 12.591) 12.640 6.476 ( 0.000 -7.972 -1.366) 8.088 6.476 ( 0.000 7.972 -1.366) 8.088 6.881 ( 0.000 -6.138 14.274) 15.538 6.881 ( 0.000 6.138 14.274) 15.538 7.099 ( 0.000 -13.558 10.907) 17.401 7.099 ( 0.000 13.558 10.907) 17.401 7.678 ( 0.000 -0.603 0.261) 0.657 7.678 ( 0.000 0.603 0.261) 0.657 7.899 ( 0.000 -0.696 2.122) 2.233 7.899 ( 0.000 0.696 2.122) 2.233 8.280 ( 0.000 -7.166 -4.262) 8.338 8.280 ( 0.000 7.166 -4.262) 8.338 8.891 ( 0.000 -0.961 -5.203) 5.291 8.891 ( 0.000 0.961 -5.203) 5.291 9.370 ( 0.000 -2.490 -3.369) 4.190 9.370 ( 0.000 2.490 -3.369) 4.190 9.540 ( 0.000 -3.983 1.155) 4.148 9.540 ( 0.000 3.983 1.155) 4.148 9.886 ( 0.000 -2.326 -4.061) 4.680 9.886 ( 0.000 2.326 -4.061) 4.680 10.332 ( 0.000 -6.422 -1.540) 6.604 10.332 ( 0.000 6.422 -1.540) 6.604 10.529 ( 0.000 -8.355 -2.211) 8.643 10.529 ( 0.000 8.355 -2.211) 8.643 10.704 ( 0.000 -1.615 -2.609) 3.069 10.704 ( 0.000 1.615 -2.609) 3.069 11.332 ( 0.000 -13.966 -0.386) 13.972 11.332 ( 0.000 13.966 -0.386) 13.972 11.585 ( 0.000 -13.504 -8.509) 15.961 11.585 ( 0.000 13.504 -8.509) 15.961 12.054 ( 0.000 -3.907 1.004) 4.034 12.054 ( 0.000 3.907 1.004) 4.034 12.288 ( 0.000 -10.007 -0.409) 10.015 12.288 ( 0.000 10.007 -0.409) 10.015 12.370 ( 0.000 -2.545 5.222) 5.809 12.370 ( 0.000 2.545 5.222) 5.809 13.144 ( 0.000 -8.911 -13.498) 16.174 13.144 ( 0.000 8.911 -13.498) 16.174 13.396 ( 0.000 -10.411 -17.858) 20.671 13.396 ( 0.000 10.411 -17.858) 20.671 13.465 ( 0.000 -8.515 -15.055) 17.296 13.465 ( 0.000 8.515 -15.055) 17.296 13.894 ( 0.000 -13.947 6.666) 15.458 13.894 ( 0.000 13.947 6.666) 15.458 14.231 ( 0.000 -8.004 -21.703) 23.132 14.231 ( 0.000 8.004 -21.703) 23.132 14.740 ( 0.000 -4.612 8.420) 9.600 14.740 ( 0.000 4.612 8.420) 9.600 15.146 ( 0.000 -0.123 -21.067) 21.067 15.146 ( 0.000 0.123 -21.067) 21.067 15.611 ( 0.000 -1.440 -17.939) 17.996 15.611 ( 0.000 1.440 -17.939) 17.996 16.323 ( 0.000 -15.621 13.939) 20.936 16.323 ( 0.000 15.621 13.939) 20.936 17.065 ( 0.000 -9.530 -0.516) 9.544 17.065 ( 0.000 9.530 -0.516) 9.544 17.648 ( 0.000 -3.845 -20.805) 21.158 17.648 ( 0.000 3.845 -20.805) 21.158 19.000 ( 0.000 -3.645 -14.848) 15.289 19.000 ( 0.000 3.645 -14.848) 15.289 19.719 ( 0.000 -2.260 1.796) 2.887 19.719 ( 0.000 2.260 1.796) 2.887 20.301 ( 0.000 -9.607 10.885) 14.519 20.301 ( 0.000 9.607 10.885) 14.519 20.786 ( 0.000 -7.277 12.755) 14.685 20.786 ( 0.000 7.277 12.755) 14.685 21.133 ( 0.000 -7.255 -6.325) 9.625 21.133 ( 0.000 7.255 -6.325) 9.625 21.575 ( 0.000 -9.132 2.488) 9.465 21.575 ( 0.000 9.132 2.488) 9.465 21.815 ( 0.000 -8.289 -1.192) 8.374 21.815 ( 0.000 8.289 -1.192) 8.374 22.342 ( 0.000 -9.930 16.738) 19.462 22.342 ( 0.000 9.930 16.738) 19.462 22.817 ( 0.000 -6.966 8.100) 10.683 22.817 ( 0.000 6.966 8.100) 10.683 23.131 ( 0.000 -8.333 1.261) 8.428 23.131 ( 0.000 8.333 1.261) 8.428 23.678 ( 0.000 -3.951 5.229) 6.554 23.678 ( 0.000 3.951 5.229) 6.554 24.003 ( 0.000 -1.242 4.920) 5.074 24.003 ( 0.000 1.242 4.920) 5.074 24.452 ( 0.000 -8.207 16.202) 18.162 24.452 ( 0.000 8.207 16.202) 18.162 24.622 ( 0.000 -6.320 4.369) 7.683 24.622 ( 0.000 6.320 4.369) 7.683 26.113 ( 0.000 -7.435 -2.859) 7.966 26.113 ( 0.000 7.435 -2.859) 7.966 26.565 ( 0.000 -7.174 -11.873) 13.872 26.565 ( 0.000 7.174 -11.873) 13.872 27.685 ( 0.000 -1.544 -0.875) 1.775 27.685 ( 0.000 1.544 -0.875) 1.775 27.919 ( 0.000 -0.531 0.114) 0.543 27.919 ( 0.000 0.531 0.114) 0.543 28.133 ( 0.000 -1.414 5.393) 5.576 28.133 ( 0.000 1.414 5.393) 5.576 28.432 ( 0.000 -2.851 3.525) 4.533 28.432 ( 0.000 2.851 3.525) 4.533 28.491 ( 0.000 -3.633 1.401) 3.894 28.491 ( 0.000 3.633 1.401) 3.894 28.810 ( 0.000 -0.519 5.900) 5.923 28.810 ( 0.000 0.519 5.900) 5.923 29.075 ( 0.000 -1.211 3.948) 4.130 29.075 ( 0.000 1.211 3.948) 4.130 29.469 ( 0.000 -10.918 -1.777) 11.062 29.469 ( 0.000 10.918 -1.777) 11.062 29.861 ( 0.000 -8.312 6.404) 10.493 29.861 ( 0.000 8.312 6.404) 10.493 29.897 ( 0.000 -3.449 14.594) 14.995 29.897 ( 0.000 3.449 14.594) 14.995 30.610 ( 0.000 -7.781 -1.182) 7.870 30.610 ( 0.000 7.781 -1.182) 7.870 31.843 ( 0.000 -13.128 -13.226) 18.635 31.843 ( 0.000 13.128 -13.226) 18.635 ======================= Grid point 87 (35/54) ======================= q-point: ( 0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.863 -2.472 0.903) 2.769 1.903 ( 0.863 2.472 0.903) 2.769 1.931 ( 1.716 -4.497 0.761) 4.873 1.931 ( 1.716 4.497 0.761) 4.873 2.170 ( 0.963 -1.815 5.432) 5.808 2.170 ( 0.963 1.815 5.432) 5.808 2.378 ( -4.380 -3.777 1.629) 6.009 2.378 ( -4.380 3.777 1.629) 6.009 2.660 ( 4.839 -2.195 -3.207) 6.207 2.660 ( 4.839 2.195 -3.207) 6.207 2.897 ( -2.192 -3.003 5.490) 6.630 2.897 ( -2.192 3.003 5.490) 6.630 3.778 ( 4.943 -20.469 13.764) 25.157 3.778 ( 4.943 20.469 13.764) 25.157 3.954 ( 9.076 -11.346 11.197) 18.343 3.954 ( 9.076 11.346 11.197) 18.343 4.252 ( -1.122 -2.096 2.769) 3.649 4.252 ( -1.122 2.096 2.769) 3.649 4.419 ( 7.115 -5.200 1.493) 8.939 4.419 ( 7.115 5.200 1.493) 8.939 4.726 ( -8.814 -2.989 11.253) 14.603 4.726 ( -8.814 2.989 11.253) 14.603 5.085 ( 7.251 -5.962 2.935) 9.835 5.085 ( 7.251 5.962 2.935) 9.835 5.402 ( -1.809 -5.729 18.252) 19.215 5.402 ( -1.809 5.729 18.252) 19.215 5.637 ( 12.311 -4.184 8.731) 15.661 5.637 ( 12.311 4.184 8.731) 15.661 6.100 ( -6.377 -3.952 11.841) 14.018 6.100 ( -6.377 3.952 11.841) 14.018 6.445 ( 2.092 -16.814 5.699) 17.877 6.445 ( 2.092 16.814 5.699) 17.877 6.815 ( -10.724 -1.435 8.545) 13.787 6.815 ( -10.724 1.435 8.545) 13.787 7.069 ( 3.744 -11.139 8.712) 14.628 7.069 ( 3.744 11.139 8.712) 14.628 7.718 ( -7.450 -11.459 12.052) 18.223 7.718 ( -7.450 11.459 12.052) 18.223 7.916 ( 9.214 -12.595 -7.623) 17.368 7.916 ( 9.214 12.595 -7.623) 17.368 8.303 ( 1.017 -4.938 -1.658) 5.307 8.303 ( 1.017 4.938 -1.658) 5.307 8.864 ( -9.238 -5.837 -6.293) 12.610 8.864 ( -9.238 5.837 -6.293) 12.610 9.049 ( -11.365 -9.705 -0.074) 14.946 9.049 ( -11.365 9.705 -0.074) 14.946 9.638 ( -9.009 -11.605 0.862) 14.717 9.638 ( -9.009 11.605 0.862) 14.717 9.800 ( 4.154 -8.613 -5.890) 11.231 9.800 ( 4.154 8.613 -5.890) 11.231 10.229 ( -10.169 -3.045 -2.263) 10.854 10.229 ( -10.169 3.045 -2.263) 10.854 10.636 ( 11.272 -7.352 -1.898) 13.591 10.636 ( 11.272 7.352 -1.898) 13.591 10.843 ( 7.490 -2.781 -2.305) 8.316 10.843 ( 7.490 2.781 -2.305) 8.316 11.318 ( 1.046 -11.021 -1.441) 11.164 11.318 ( 1.046 11.021 -1.441) 11.164 11.656 ( 5.288 -11.539 -5.468) 13.820 11.656 ( 5.288 11.539 -5.468) 13.820 12.009 ( -4.876 -4.524 2.073) 6.967 12.009 ( -4.876 4.524 2.073) 6.967 12.215 ( -5.163 -7.188 -3.741) 9.608 12.215 ( -5.163 7.188 -3.741) 9.608 12.448 ( 5.434 -6.579 3.716) 9.307 12.448 ( 5.434 6.579 3.716) 9.307 13.026 ( -9.044 -8.503 -10.681) 16.376 13.026 ( -9.044 8.503 -10.681) 16.376 13.371 ( -0.218 -7.368 -10.603) 12.913 13.371 ( -0.218 7.368 -10.603) 12.913 13.565 ( 2.450 -11.131 -14.940) 18.791 13.565 ( 2.450 11.131 -14.940) 18.791 13.819 ( 0.148 -13.388 -1.149) 13.438 13.819 ( 0.148 13.388 -1.149) 13.438 14.279 ( 3.277 -9.864 -25.330) 27.379 14.279 ( 3.277 9.864 -25.330) 27.379 14.948 ( 13.654 -9.157 3.897) 16.896 14.948 ( 13.654 9.157 3.897) 16.896 15.150 ( 2.380 -1.112 -14.023) 14.267 15.150 ( 2.380 1.112 -14.023) 14.267 15.537 ( -5.508 -2.571 -17.544) 18.568 15.537 ( -5.508 2.571 -17.544) 18.568 16.203 ( -10.585 -15.139 13.030) 22.606 16.203 ( -10.585 15.139 13.030) 22.606 17.200 ( 11.313 -10.478 -1.728) 15.516 17.200 ( 11.313 10.478 -1.728) 15.516 17.652 ( -0.103 -5.631 -19.188) 19.997 17.652 ( -0.103 5.631 -19.188) 19.997 19.027 ( 2.853 -7.147 -13.261) 15.333 19.027 ( 2.853 7.147 -13.261) 15.333 19.606 ( -10.216 -7.155 1.171) 12.527 19.606 ( -10.216 7.155 1.171) 12.527 20.320 ( 1.890 -8.077 12.097) 14.668 20.320 ( 1.890 8.077 12.097) 14.668 20.700 ( -7.746 -7.661 13.558) 17.393 20.700 ( -7.746 7.661 13.558) 17.393 21.186 ( 5.028 -3.857 -5.000) 8.072 21.186 ( 5.028 3.857 -5.000) 8.072 21.550 ( -3.134 -5.514 -0.463) 6.359 21.550 ( -3.134 5.514 -0.463) 6.359 21.870 ( 5.860 -9.007 -0.913) 10.784 21.870 ( 5.860 9.007 -0.913) 10.784 22.324 ( -2.002 -12.797 10.464) 16.651 22.324 ( -2.002 12.797 10.464) 16.651 22.783 ( -2.056 -7.622 8.925) 11.915 22.783 ( -2.056 7.622 8.925) 11.915 23.097 ( -3.877 -7.390 3.080) 8.896 23.097 ( -3.877 7.390 3.080) 8.896 23.772 ( 8.486 -6.166 4.844) 11.554 23.772 ( 8.486 6.166 4.844) 11.554 24.052 ( 3.844 -6.633 5.980) 9.723 24.052 ( 3.844 6.633 5.980) 9.723 24.450 ( -0.205 -8.818 15.303) 17.663 24.450 ( -0.205 8.818 15.303) 17.663 24.585 ( -3.323 -8.515 6.036) 10.953 24.585 ( -3.323 8.515 6.036) 10.953 26.147 ( 3.352 -6.780 -3.295) 8.250 26.147 ( 3.352 6.780 -3.295) 8.250 26.514 ( -4.827 -6.370 -10.617) 13.289 26.514 ( -4.827 6.370 -10.617) 13.289 27.691 ( 0.733 -1.635 -0.760) 1.946 27.691 ( 0.733 1.635 -0.760) 1.946 27.856 ( -4.387 -2.955 -0.226) 5.294 27.856 ( -4.387 2.955 -0.226) 5.294 28.196 ( 4.371 -4.022 3.841) 7.074 28.196 ( 4.371 4.022 3.841) 7.074 28.388 ( -3.356 -5.097 0.343) 6.112 28.388 ( -3.356 5.097 0.343) 6.112 28.508 ( 1.761 -5.437 5.928) 8.235 28.508 ( 1.761 5.437 5.928) 8.235 28.779 ( -3.084 -1.723 7.512) 8.301 28.779 ( -3.084 1.723 7.512) 8.301 29.138 ( 5.746 -1.661 3.190) 6.779 29.138 ( 5.746 1.661 3.190) 6.779 29.478 ( 0.479 -10.344 -1.703) 10.494 29.478 ( 0.479 10.344 -1.703) 10.494 29.783 ( -7.129 -1.651 13.329) 15.206 29.783 ( -7.129 1.651 13.329) 15.206 29.827 ( -4.381 -9.330 11.282) 15.282 29.827 ( -4.381 9.330 11.282) 15.282 30.813 ( 16.697 -9.848 -5.190) 20.067 30.813 ( 16.697 9.848 -5.190) 20.067 31.760 ( -7.970 -12.988 -13.000) 20.030 31.760 ( -7.970 12.988 -13.000) 20.030 ======================= Grid point 89 (36/54) ======================= q-point: ( 0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 1.539 -3.290 -0.669) 3.693 1.930 ( 1.539 3.290 -0.669) 3.693 1.951 ( -0.101 -3.956 -1.132) 4.116 1.951 ( -0.101 3.956 -1.132) 4.116 2.209 ( 2.989 -1.817 3.948) 5.274 2.209 ( 2.989 1.817 3.948) 5.274 2.287 ( -4.368 -2.605 2.208) 5.544 2.287 ( -4.368 2.605 2.208) 5.544 2.757 ( 4.514 -1.991 0.224) 4.939 2.757 ( 4.514 1.991 0.224) 4.939 2.839 ( -3.450 -2.337 3.317) 5.326 2.839 ( -3.450 2.337 3.317) 5.326 3.938 ( 10.185 -19.752 10.935) 24.768 3.938 ( 10.185 19.752 10.935) 24.768 4.104 ( -0.842 -6.296 6.687) 9.223 4.104 ( -0.842 6.296 6.687) 9.223 4.238 ( 3.739 -2.409 6.278) 7.694 4.238 ( 3.739 2.409 6.278) 7.694 4.404 ( -9.670 -2.429 8.610) 13.173 4.404 ( -9.670 2.429 8.610) 13.173 4.743 ( 13.353 -10.375 1.678) 16.993 4.743 ( 13.353 10.375 1.678) 16.993 5.034 ( -11.877 -12.128 1.565) 17.048 5.034 ( -11.877 12.128 1.565) 17.048 5.498 ( 11.118 -3.720 23.137) 25.937 5.498 ( 11.118 3.720 23.137) 25.937 5.773 ( -13.124 -4.347 17.205) 22.071 5.773 ( -13.124 4.347 17.205) 22.071 6.110 ( 21.343 -2.775 4.292) 21.946 6.110 ( 21.343 2.775 4.292) 21.946 6.526 ( -17.069 -2.255 4.809) 17.876 6.526 ( -17.069 2.255 4.809) 17.876 6.646 ( 16.183 -14.700 10.272) 24.155 6.646 ( 16.183 14.700 10.272) 24.155 7.014 ( -14.641 -13.542 3.867) 20.315 7.014 ( -14.641 13.542 3.867) 20.315 7.685 ( 10.140 -14.307 14.445) 22.719 7.685 ( 10.140 14.307 14.445) 22.719 7.962 ( -9.539 -9.803 -1.530) 13.763 7.962 ( -9.539 9.803 -1.530) 13.763 8.332 ( 4.141 -5.221 -2.211) 7.021 8.332 ( 4.141 5.221 -2.211) 7.021 8.511 ( -14.573 -2.241 -6.434) 16.087 8.511 ( -14.573 2.241 -6.434) 16.087 9.123 ( 11.256 -11.757 -1.285) 16.327 9.123 ( 11.256 11.757 -1.285) 16.327 9.392 ( -13.362 -12.181 -2.921) 18.316 9.392 ( -13.362 12.181 -2.921) 18.316 9.898 ( 5.287 -8.186 -1.923) 9.932 9.898 ( 5.287 8.186 -1.923) 9.932 10.040 ( -8.212 -6.542 -2.735) 10.850 10.040 ( -8.212 6.542 -2.735) 10.850 10.835 ( 7.206 -2.705 -2.250) 8.019 10.835 ( 7.206 2.705 -2.250) 8.019 10.918 ( -0.567 -1.695 -1.771) 2.517 10.918 ( -0.567 1.695 -1.771) 2.517 11.449 ( 11.540 -7.868 -2.386) 14.169 11.449 ( 11.540 7.868 -2.386) 14.169 11.685 ( -7.142 -5.278 -1.442) 8.997 11.685 ( -7.142 5.278 -1.442) 8.997 11.934 ( 2.520 -8.276 -1.234) 8.738 11.934 ( 2.520 8.276 -1.234) 8.738 12.072 ( -8.240 -0.757 -3.669) 9.052 12.072 ( -8.240 0.757 -3.669) 9.052 12.598 ( 9.414 -9.380 -0.066) 13.289 12.598 ( 9.414 9.380 -0.066) 13.289 12.816 ( -11.255 -10.380 -5.451) 16.252 12.816 ( -11.255 10.380 -5.451) 16.252 13.403 ( 3.474 -5.159 -5.243) 8.135 13.403 ( 3.474 5.159 -5.243) 8.135 13.497 ( -5.320 -7.980 -5.244) 10.931 13.497 ( -5.320 7.980 -5.244) 10.931 14.016 ( 14.260 -13.918 -20.653) 28.698 14.016 ( 14.260 13.918 -20.653) 28.698 14.259 ( -7.135 -11.992 -26.416) 29.875 14.259 ( -7.135 11.992 -26.416) 29.875 15.094 ( 4.954 -6.703 -14.476) 16.704 15.094 ( 4.954 6.703 -14.476) 16.704 15.211 ( -3.976 -4.711 -9.605) 11.414 15.211 ( -3.976 4.711 -9.605) 11.414 15.589 ( 14.373 -11.973 1.118) 18.740 15.589 ( 14.373 11.973 1.118) 18.740 15.927 ( -16.006 -14.596 10.546) 24.093 15.927 ( -16.006 14.596 10.546) 24.093 17.444 ( 11.110 -11.025 -6.795) 17.063 17.444 ( 11.110 11.025 -6.795) 17.063 17.610 ( -4.809 -9.075 -14.055) 17.407 17.610 ( -4.809 9.075 -14.055) 17.407 19.134 ( 8.120 -11.249 -8.206) 16.119 19.134 ( 8.120 11.249 -8.206) 16.119 19.356 ( -12.860 -11.243 -1.983) 17.196 19.356 ( -12.860 11.243 -1.983) 17.196 20.386 ( 4.842 -6.613 13.885) 16.124 20.386 ( 4.842 6.613 13.885) 16.124 20.523 ( -8.419 -6.686 14.618) 18.146 20.523 ( -8.419 6.686 14.618) 18.146 21.313 ( 6.843 -1.230 -3.329) 7.709 21.313 ( 6.843 1.230 -3.329) 7.709 21.449 ( -6.231 -0.907 -2.130) 6.647 21.449 ( -6.231 0.907 -2.130) 6.647 22.039 ( 9.780 -10.993 -2.358) 14.901 22.039 ( 9.780 10.993 -2.358) 14.901 22.228 ( -7.738 -13.172 0.562) 15.287 22.228 ( -7.738 13.172 0.562) 15.287 22.811 ( 5.547 -5.377 9.337) 12.119 22.811 ( 5.547 5.377 9.337) 12.119 22.967 ( -8.209 -5.964 6.218) 11.901 22.967 ( -8.209 5.964 6.218) 11.901 23.971 ( 9.461 -7.287 5.045) 12.964 23.971 ( 9.461 7.287 5.045) 12.964 24.094 ( -1.495 -8.018 6.126) 10.200 24.094 ( -1.495 8.018 6.126) 10.200 24.452 ( 1.070 -10.453 13.211) 16.880 24.452 ( 1.070 10.453 13.211) 16.880 24.506 ( -3.841 -11.441 10.258) 15.839 24.506 ( -3.841 11.441 10.258) 15.839 26.246 ( 6.145 -5.499 -4.776) 9.529 26.246 ( 6.145 5.499 -4.776) 9.529 26.386 ( -7.169 -5.214 -7.549) 11.643 26.386 ( -7.169 5.214 -7.549) 11.643 27.720 ( 2.105 -2.696 -0.944) 3.549 27.720 ( 2.105 2.696 -0.944) 3.549 27.776 ( -3.361 -3.482 -1.077) 4.958 27.776 ( -3.361 3.482 -1.077) 4.958 28.268 ( 2.671 -2.749 0.677) 3.893 28.268 ( 2.671 2.749 0.677) 3.893 28.322 ( -2.894 -3.779 -0.778) 4.823 28.322 ( -2.894 3.779 -0.778) 4.823 28.577 ( 4.991 -3.859 9.645) 11.525 28.577 ( 4.991 3.859 9.645) 11.525 28.689 ( -5.428 -2.371 9.605) 11.285 28.689 ( -5.428 2.371 9.605) 11.285 29.288 ( 8.397 -3.965 2.447) 9.603 29.288 ( 8.397 3.965 2.447) 9.603 29.442 ( -5.311 -8.085 -0.700) 9.699 29.442 ( -5.311 8.085 -0.700) 9.699 29.682 ( -0.896 -2.179 15.972) 16.145 29.682 ( -0.896 2.179 15.972) 16.145 29.731 ( -4.457 -5.992 12.095) 14.215 29.731 ( -4.457 5.992 12.095) 14.215 31.187 ( 18.497 -11.877 -10.008) 24.153 31.187 ( 18.497 11.877 -10.008) 24.153 31.528 ( -14.488 -12.655 -12.220) 22.790 31.528 ( -14.488 12.655 -12.220) 22.790 ======================= Grid point 100 (37/54) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 0.000 2.815) 2.815 1.901 ( 0.000 0.000 2.253) 2.253 1.993 ( 0.000 0.000 -3.117) 3.117 2.101 ( 0.000 0.000 -8.825) 8.825 2.207 ( 0.000 0.000 6.854) 6.854 2.236 ( 0.000 0.000 2.986) 2.986 2.279 ( 0.000 0.000 -0.309) 0.309 2.390 ( 0.000 0.000 -5.506) 5.506 2.546 ( 0.000 0.000 -1.437) 1.437 2.588 ( 0.000 0.000 0.852) 0.852 2.926 ( 0.000 0.000 9.879) 9.879 3.165 ( 0.000 0.000 4.250) 4.250 3.276 ( 0.000 0.000 20.841) 20.841 3.788 ( 0.000 0.000 6.549) 6.549 3.857 ( 0.000 0.000 -7.380) 7.380 4.114 ( 0.000 0.000 4.982) 4.982 4.122 ( 0.000 0.000 -3.483) 3.483 4.637 ( 0.000 0.000 0.908) 0.908 4.724 ( 0.000 0.000 1.950) 1.950 4.985 ( 0.000 0.000 6.721) 6.721 5.005 ( 0.000 0.000 1.669) 1.669 5.013 ( 0.000 0.000 21.610) 21.610 5.208 ( 0.000 0.000 -15.565) 15.565 5.224 ( 0.000 0.000 10.414) 10.414 5.394 ( 0.000 0.000 8.349) 8.349 5.521 ( 0.000 0.000 10.865) 10.865 5.754 ( 0.000 0.000 -2.841) 2.841 5.929 ( 0.000 0.000 3.090) 3.090 6.143 ( 0.000 0.000 10.741) 10.741 6.265 ( 0.000 0.000 3.731) 3.731 6.328 ( 0.000 0.000 22.777) 22.777 6.522 ( 0.000 0.000 5.071) 5.071 6.758 ( 0.000 0.000 3.345) 3.345 6.873 ( 0.000 0.000 0.098) 0.098 7.162 ( 0.000 0.000 14.931) 14.931 7.499 ( 0.000 0.000 6.462) 6.462 7.718 ( 0.000 0.000 8.158) 8.158 7.837 ( 0.000 0.000 1.931) 1.931 7.924 ( 0.000 0.000 2.479) 2.479 8.110 ( 0.000 0.000 13.852) 13.852 8.369 ( 0.000 0.000 25.881) 25.881 8.974 ( 0.000 0.000 5.395) 5.395 8.997 ( 0.000 0.000 10.393) 10.393 9.148 ( 0.000 0.000 14.877) 14.877 9.178 ( 0.000 0.000 -27.600) 27.600 9.218 ( 0.000 0.000 -2.194) 2.194 9.446 ( 0.000 0.000 -15.139) 15.139 9.468 ( 0.000 0.000 -0.641) 0.641 9.799 ( 0.000 0.000 -5.482) 5.482 9.842 ( 0.000 0.000 -0.930) 0.930 9.905 ( 0.000 0.000 3.765) 3.765 9.970 ( 0.000 0.000 4.006) 4.006 10.375 ( 0.000 0.000 -19.236) 19.236 10.470 ( 0.000 0.000 -5.455) 5.455 10.605 ( 0.000 0.000 0.730) 0.730 10.991 ( 0.000 0.000 3.082) 3.082 11.000 ( 0.000 0.000 5.391) 5.391 11.130 ( 0.000 0.000 -0.668) 0.668 11.419 ( 0.000 0.000 -9.748) 9.748 11.795 ( 0.000 0.000 -16.929) 16.929 11.900 ( 0.000 0.000 -20.673) 20.673 12.038 ( 0.000 0.000 -25.605) 25.605 12.131 ( 0.000 0.000 14.891) 14.891 12.651 ( 0.000 0.000 5.810) 5.810 12.673 ( 0.000 0.000 -7.698) 7.698 12.687 ( 0.000 0.000 5.857) 5.857 12.728 ( 0.000 0.000 3.814) 3.814 12.976 ( 0.000 0.000 7.767) 7.767 13.012 ( 0.000 0.000 3.662) 3.662 13.091 ( 0.000 0.000 -15.928) 15.928 13.167 ( 0.000 0.000 -21.284) 21.284 13.257 ( 0.000 0.000 -2.860) 2.860 13.484 ( 0.000 0.000 -12.920) 12.920 13.662 ( 0.000 0.000 -20.208) 20.208 14.063 ( 0.000 0.000 -2.546) 2.546 14.450 ( 0.000 0.000 10.962) 10.962 14.591 ( 0.000 0.000 1.649) 1.649 14.759 ( 0.000 0.000 -14.443) 14.443 14.929 ( 0.000 0.000 -26.956) 26.956 15.066 ( 0.000 0.000 1.533) 1.533 15.317 ( 0.000 0.000 0.249) 0.249 15.439 ( 0.000 0.000 -1.947) 1.947 16.198 ( 0.000 0.000 17.175) 17.175 16.462 ( 0.000 0.000 -24.552) 24.552 16.856 ( 0.000 0.000 -36.132) 36.132 17.072 ( 0.000 0.000 15.493) 15.493 17.135 ( 0.000 0.000 -14.818) 14.818 17.638 ( 0.000 0.000 3.458) 3.458 18.816 ( 0.000 0.000 -14.406) 14.406 18.844 ( 0.000 0.000 -6.734) 6.734 19.746 ( 0.000 0.000 1.878) 1.878 19.815 ( 0.000 0.000 -1.770) 1.770 20.271 ( 0.000 0.000 12.604) 12.604 20.802 ( 0.000 0.000 -6.254) 6.254 20.838 ( 0.000 0.000 11.035) 11.035 20.877 ( 0.000 0.000 10.275) 10.275 21.226 ( 0.000 0.000 6.316) 6.316 21.277 ( 0.000 0.000 -4.592) 4.592 21.384 ( 0.000 0.000 4.557) 4.557 21.518 ( 0.000 0.000 1.861) 1.861 21.638 ( 0.000 0.000 -10.281) 10.281 21.710 ( 0.000 0.000 -6.062) 6.062 22.362 ( 0.000 0.000 16.766) 16.766 22.794 ( 0.000 0.000 7.572) 7.572 22.966 ( 0.000 0.000 14.846) 14.846 23.172 ( 0.000 0.000 4.590) 4.590 23.219 ( 0.000 0.000 3.938) 3.938 23.370 ( 0.000 0.000 -1.267) 1.267 23.398 ( 0.000 0.000 4.299) 4.299 23.684 ( 0.000 0.000 -5.046) 5.046 24.323 ( 0.000 0.000 9.633) 9.633 24.328 ( 0.000 0.000 3.542) 3.542 24.343 ( 0.000 0.000 7.321) 7.321 24.386 ( 0.000 0.000 4.679) 4.679 24.965 ( 0.000 0.000 6.849) 6.849 25.079 ( 0.000 0.000 8.395) 8.395 25.769 ( 0.000 0.000 -2.006) 2.006 25.933 ( 0.000 0.000 -4.163) 4.163 26.475 ( 0.000 0.000 -0.337) 0.337 26.579 ( 0.000 0.000 -4.344) 4.344 27.397 ( 0.000 0.000 -1.885) 1.885 27.896 ( 0.000 0.000 2.986) 2.986 27.933 ( 0.000 0.000 -9.057) 9.057 28.049 ( 0.000 0.000 -0.853) 0.853 28.057 ( 0.000 0.000 -2.679) 2.679 28.093 ( 0.000 0.000 11.798) 11.798 28.094 ( 0.000 0.000 -8.058) 8.058 28.674 ( 0.000 0.000 7.825) 7.825 28.676 ( 0.000 0.000 -1.915) 1.915 28.685 ( 0.000 0.000 17.676) 17.676 28.904 ( 0.000 0.000 3.386) 3.386 29.054 ( 0.000 0.000 7.784) 7.784 29.074 ( 0.000 0.000 -1.006) 1.006 29.097 ( 0.000 0.000 1.881) 1.881 29.225 ( 0.000 0.000 1.989) 1.989 29.681 ( 0.000 0.000 -9.984) 9.984 29.879 ( 0.000 0.000 11.676) 11.676 30.118 ( 0.000 0.000 8.613) 8.613 30.156 ( 0.000 0.000 18.852) 18.852 30.307 ( 0.000 0.000 -0.328) 0.328 30.462 ( 0.000 0.000 18.207) 18.207 30.674 ( 0.000 0.000 -7.019) 7.019 31.232 ( 0.000 0.000 -12.838) 12.838 31.787 ( 0.000 0.000 -21.581) 21.581 ======================= Grid point 101 (38/54) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.989 0.000 2.260) 2.467 1.893 ( -0.735 0.000 2.009) 2.140 2.001 ( 0.800 0.000 -3.595) 3.683 2.090 ( -1.076 0.000 -8.040) 8.112 2.178 ( -2.073 0.000 6.462) 6.786 2.219 ( -1.610 0.000 1.053) 1.924 2.267 ( 0.655 0.000 1.807) 1.922 2.416 ( -1.467 0.000 -3.514) 3.808 2.559 ( 5.279 0.000 0.700) 5.326 2.668 ( 5.252 0.000 -1.208) 5.389 2.902 ( -2.325 0.000 8.149) 8.474 3.101 ( -6.045 0.000 3.136) 6.811 3.380 ( 9.725 0.000 19.322) 21.631 3.862 ( 8.459 0.000 3.357) 9.101 4.009 ( 11.322 0.000 -7.620) 13.647 4.051 ( -5.596 0.000 0.176) 5.598 4.129 ( 1.249 0.000 4.105) 4.291 4.636 ( 2.185 0.000 4.953) 5.414 4.897 ( -6.032 0.000 9.018) 10.850 4.900 ( 9.978 0.000 -0.714) 10.004 4.975 ( -8.963 0.000 -11.466) 14.554 5.105 ( -1.233 0.000 -2.203) 2.525 5.106 ( 11.263 0.000 12.269) 16.655 5.268 ( 0.979 0.000 11.044) 11.087 5.431 ( 2.539 0.000 13.430) 13.668 5.677 ( 11.623 0.000 7.370) 13.763 5.708 ( -8.449 0.000 7.772) 11.480 5.933 ( -7.904 0.000 17.603) 19.296 6.077 ( 0.013 0.000 5.014) 5.014 6.162 ( 9.389 0.000 1.524) 9.511 6.366 ( 4.012 0.000 9.563) 10.370 6.688 ( 10.055 0.000 4.138) 10.874 6.771 ( -2.863 0.000 0.123) 2.865 6.839 ( -4.460 0.000 2.007) 4.890 7.027 ( -10.754 0.000 17.731) 20.737 7.504 ( -3.754 0.000 -4.146) 5.593 7.560 ( -11.497 0.000 7.880) 13.938 7.744 ( -9.563 0.000 1.889) 9.748 8.031 ( 17.261 0.000 11.736) 20.873 8.294 ( 10.537 0.000 11.316) 15.462 8.438 ( 5.216 0.000 24.487) 25.037 8.782 ( -13.664 0.000 3.414) 14.084 8.927 ( -6.742 0.000 11.305) 13.163 9.028 ( -4.490 0.000 -4.797) 6.570 9.122 ( -15.758 0.000 -9.066) 18.179 9.141 ( -0.119 0.000 14.056) 14.057 9.392 ( -6.563 0.000 0.597) 6.590 9.523 ( -0.546 0.000 -13.281) 13.292 9.716 ( -5.759 0.000 -2.528) 6.289 9.876 ( -2.747 0.000 2.521) 3.729 9.893 ( 1.200 0.000 -1.914) 2.259 10.094 ( 12.763 0.000 -3.407) 13.210 10.253 ( -4.667 0.000 -6.257) 7.806 10.470 ( 1.352 0.000 -10.760) 10.844 10.543 ( 0.685 0.000 -15.995) 16.009 10.979 ( -1.428 0.000 5.463) 5.647 11.072 ( -6.873 0.000 -9.904) 12.055 11.168 ( 2.041 0.000 0.527) 2.108 11.517 ( 17.771 0.000 1.938) 17.877 11.863 ( -9.770 0.000 -4.164) 10.620 11.966 ( 3.211 0.000 -16.796) 17.100 11.990 ( 13.464 0.000 -11.341) 17.604 12.233 ( 5.024 0.000 -5.625) 7.542 12.497 ( -9.190 0.000 8.224) 12.332 12.621 ( -5.903 0.000 -0.284) 5.910 12.696 ( -6.787 0.000 -0.104) 6.788 12.782 ( 5.730 0.000 -5.954) 8.264 12.962 ( 2.860 0.000 9.543) 9.962 12.975 ( -1.420 0.000 -2.250) 2.661 13.036 ( -3.522 0.000 -13.270) 13.729 13.235 ( 4.033 0.000 -21.583) 21.957 13.275 ( 0.271 0.000 -0.337) 0.433 13.524 ( 4.232 0.000 -11.821) 12.556 13.732 ( 5.332 0.000 -18.724) 19.468 14.063 ( 0.066 0.000 -6.371) 6.371 14.242 ( -14.130 0.000 9.981) 17.300 14.640 ( 2.952 0.000 -2.762) 4.043 14.742 ( -1.497 0.000 -13.978) 14.058 14.876 ( -2.468 0.000 -23.742) 23.870 15.102 ( -5.049 0.000 -14.432) 15.289 15.352 ( 4.958 0.000 6.138) 7.891 15.643 ( 20.963 0.000 8.707) 22.699 16.090 ( -9.429 0.000 16.484) 18.990 16.583 ( 9.987 0.000 -22.888) 24.972 16.890 ( -8.460 0.000 5.906) 10.317 17.025 ( 7.606 0.000 -24.637) 25.785 17.105 ( -3.154 0.000 -15.925) 16.234 17.671 ( 0.277 0.000 -3.186) 3.198 18.714 ( 0.299 0.000 -4.456) 4.466 19.085 ( 14.191 0.000 -10.336) 17.555 19.549 ( -14.215 0.000 5.053) 15.087 19.835 ( -2.978 0.000 -4.424) 5.333 20.312 ( 3.952 0.000 12.615) 13.220 20.727 ( -5.700 0.000 6.320) 8.511 20.837 ( 0.425 0.000 11.842) 11.849 20.945 ( 4.652 0.000 -1.463) 4.877 21.176 ( -7.693 0.000 5.323) 9.355 21.209 ( -1.348 0.000 6.727) 6.861 21.457 ( 5.003 0.000 -4.982) 7.060 21.470 ( -2.271 0.000 0.424) 2.311 21.697 ( -1.455 0.000 -6.886) 7.038 21.736 ( 6.180 0.000 -7.425) 9.660 22.141 ( -13.771 0.000 11.976) 18.250 22.680 ( -13.149 0.000 1.446) 13.229 22.980 ( 1.870 0.000 11.903) 12.050 23.135 ( -2.488 0.000 5.161) 5.730 23.342 ( 14.208 0.000 7.173) 15.916 23.364 ( -2.725 0.000 3.598) 4.513 23.558 ( 11.375 0.000 3.969) 12.048 23.626 ( -6.164 0.000 -4.421) 7.585 24.302 ( -1.948 0.000 9.122) 9.328 24.337 ( 4.951 0.000 7.290) 8.812 24.348 ( -3.496 0.000 4.950) 6.060 24.477 ( 7.131 0.000 4.665) 8.522 24.952 ( -0.241 0.000 8.756) 8.759 25.092 ( 0.317 0.000 7.546) 7.553 25.797 ( 2.638 0.000 -2.304) 3.503 25.933 ( -0.146 0.000 -4.081) 4.084 26.462 ( -0.977 0.000 -0.432) 1.068 26.548 ( -2.738 0.000 -3.758) 4.650 27.428 ( 3.094 0.000 -1.760) 3.560 27.860 ( -7.254 0.000 -3.441) 8.028 27.895 ( -0.036 0.000 2.921) 2.922 27.980 ( -3.613 0.000 2.822) 4.584 27.995 ( -2.075 0.000 -6.392) 6.720 28.096 ( -1.202 0.000 -8.157) 8.245 28.198 ( 6.176 0.000 5.623) 8.352 28.550 ( -5.898 0.000 1.775) 6.159 28.748 ( 5.278 0.000 17.353) 18.138 28.776 ( 3.549 0.000 6.330) 7.257 28.912 ( 0.099 0.000 4.086) 4.087 29.039 ( -1.655 0.000 9.443) 9.587 29.070 ( 1.548 0.000 -1.164) 1.937 29.139 ( 2.399 0.000 -0.297) 2.418 29.305 ( 7.357 0.000 0.521) 7.376 29.670 ( -1.088 0.000 -9.869) 9.929 29.859 ( -1.386 0.000 12.822) 12.897 30.049 ( -6.660 0.000 17.928) 19.125 30.084 ( -2.401 0.000 11.639) 11.884 30.345 ( -8.370 0.000 16.770) 18.742 30.468 ( 11.675 0.000 -1.313) 11.748 30.860 ( 14.347 0.000 -9.116) 16.998 31.166 ( -6.376 0.000 -12.258) 13.817 31.709 ( -7.536 0.000 -21.038) 22.347 ======================= Grid point 102 (39/54) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 1.254 0.000 1.583) 2.019 1.873 ( -1.142 0.000 1.603) 1.968 2.025 ( 1.548 0.000 -4.839) 5.081 2.060 ( -1.743 0.000 -6.433) 6.665 2.157 ( 0.328 0.000 4.779) 4.790 2.184 ( -1.854 0.000 2.312) 2.964 2.299 ( 2.405 0.000 2.174) 3.242 2.359 ( -3.221 0.000 0.208) 3.227 2.703 ( 7.368 0.000 1.082) 7.447 2.788 ( 6.546 0.000 -0.146) 6.548 2.830 ( -4.669 0.000 3.835) 6.042 2.945 ( -8.370 0.000 0.600) 8.392 3.635 ( 13.995 0.000 14.111) 19.874 3.894 ( -10.413 0.000 6.370) 12.207 4.061 ( 7.708 0.000 -1.191) 7.799 4.138 ( -0.687 0.000 0.318) 0.757 4.268 ( 14.691 0.000 -5.819) 15.801 4.612 ( -17.556 0.000 -5.156) 18.298 4.768 ( 11.243 0.000 11.939) 16.400 4.952 ( 4.090 0.000 5.090) 6.529 5.023 ( -4.633 0.000 3.799) 5.991 5.057 ( -4.680 0.000 2.319) 5.223 5.127 ( -0.760 0.000 7.493) 7.531 5.296 ( -9.495 0.000 -2.295) 9.768 5.536 ( 8.347 0.000 8.591) 11.978 5.627 ( 17.452 0.000 16.508) 24.023 5.728 ( -8.302 0.000 4.876) 9.628 5.949 ( -5.028 0.000 11.449) 12.504 6.199 ( 18.561 0.000 10.635) 21.392 6.431 ( 4.015 0.000 20.109) 20.506 6.542 ( 11.255 0.000 6.289) 12.892 6.595 ( -10.519 0.000 12.296) 16.182 6.625 ( -8.001 0.000 3.354) 8.676 6.819 ( -1.369 0.000 0.174) 1.380 6.987 ( 9.833 0.000 -5.347) 11.193 7.305 ( -15.978 0.000 -12.540) 20.311 7.394 ( -2.913 0.000 4.826) 5.637 7.489 ( -12.218 0.000 3.227) 12.637 8.425 ( 8.417 0.000 18.115) 19.975 8.444 ( 10.272 0.000 13.069) 16.623 8.559 ( 7.106 0.000 22.241) 23.349 8.660 ( 2.510 0.000 3.499) 4.306 8.741 ( -10.307 0.000 17.312) 20.148 8.802 ( -11.385 0.000 -2.476) 11.651 8.982 ( 1.642 0.000 -4.618) 4.901 9.162 ( 2.535 0.000 9.536) 9.867 9.237 ( -19.672 0.000 -0.345) 19.675 9.252 ( -6.125 0.000 3.592) 7.101 9.635 ( -0.632 0.000 1.029) 1.208 9.714 ( -7.982 0.000 3.336) 8.651 10.120 ( 13.444 0.000 -15.539) 20.547 10.267 ( 1.244 0.000 -13.012) 13.071 10.346 ( 8.041 0.000 -9.983) 12.819 10.459 ( -2.767 0.000 -13.352) 13.636 10.637 ( 7.956 0.000 -16.971) 18.743 10.850 ( -12.017 0.000 -14.907) 19.147 10.987 ( 3.770 0.000 7.725) 8.596 11.125 ( -6.901 0.000 4.082) 8.018 11.783 ( 3.666 0.000 0.638) 3.721 11.928 ( 19.299 0.000 6.505) 20.365 11.929 ( -7.070 0.000 -5.000) 8.660 12.209 ( 1.104 0.000 2.230) 2.488 12.315 ( -3.108 0.000 0.747) 3.196 12.334 ( 5.414 0.000 -10.791) 12.073 12.464 ( -7.668 0.000 -6.834) 10.272 12.482 ( -11.348 0.000 -0.684) 11.368 12.891 ( 3.703 0.000 -3.879) 5.362 12.963 ( -3.471 0.000 -6.680) 7.528 13.073 ( 9.987 0.000 -17.652) 20.281 13.083 ( 7.463 0.000 6.406) 9.836 13.224 ( -5.398 0.000 2.772) 6.068 13.243 ( -4.435 0.000 -22.672) 23.102 13.652 ( 7.591 0.000 -6.697) 10.123 13.784 ( -2.966 0.000 -9.447) 9.901 14.041 ( -1.753 0.000 -3.169) 3.622 14.065 ( -1.715 0.000 -12.304) 12.423 14.672 ( 0.919 0.000 -8.702) 8.751 14.704 ( -2.082 0.000 -12.011) 12.190 14.851 ( 0.880 0.000 -22.009) 22.027 14.941 ( -7.760 0.000 -19.105) 20.621 15.550 ( 13.529 0.000 14.155) 19.580 15.844 ( -14.114 0.000 16.665) 21.839 16.131 ( 24.256 0.000 11.377) 26.792 16.579 ( -19.195 0.000 13.155) 23.270 16.807 ( 10.919 0.000 -21.207) 23.853 16.998 ( -7.421 0.000 -18.531) 19.962 17.295 ( 14.965 0.000 -27.074) 30.935 17.567 ( -10.367 0.000 -17.280) 20.151 18.868 ( 13.883 0.000 5.251) 14.843 19.207 ( -17.281 0.000 6.452) 18.446 19.397 ( 14.588 0.000 -7.400) 16.357 19.678 ( -11.708 0.000 -6.546) 13.414 20.427 ( 7.120 0.000 12.362) 14.266 20.585 ( -7.882 0.000 11.073) 13.592 20.880 ( 4.178 0.000 12.409) 13.093 21.007 ( -7.959 0.000 10.755) 13.380 21.044 ( 5.189 0.000 -0.558) 5.219 21.152 ( -4.702 0.000 3.484) 5.852 21.502 ( 6.326 0.000 2.391) 6.762 21.560 ( 4.834 0.000 -8.992) 10.209 21.646 ( -3.476 0.000 -8.625) 9.300 21.693 ( -10.338 0.000 1.271) 10.416 22.095 ( 9.917 0.000 -1.508) 10.031 22.371 ( -15.458 0.000 -2.930) 15.733 23.044 ( 3.765 0.000 7.440) 8.338 23.101 ( -1.459 0.000 6.313) 6.480 23.334 ( 1.680 0.000 1.322) 2.138 23.458 ( -8.936 0.000 -2.021) 9.162 23.630 ( 11.177 0.000 9.067) 14.393 23.721 ( 2.882 0.000 8.004) 8.507 24.256 ( -1.830 0.000 7.510) 7.730 24.268 ( -3.258 0.000 5.664) 6.534 24.474 ( 6.777 0.000 7.647) 10.218 24.557 ( -0.299 0.000 5.999) 6.006 24.986 ( 3.616 0.000 9.313) 9.990 25.065 ( -3.103 0.000 7.943) 8.528 25.863 ( 3.369 0.000 -3.025) 4.528 25.917 ( -1.654 0.000 -3.736) 4.085 26.452 ( 0.386 0.000 -1.021) 1.092 26.486 ( -2.802 0.000 -2.359) 3.663 27.525 ( 6.388 0.000 -1.343) 6.528 27.684 ( -8.898 0.000 -1.005) 8.955 27.899 ( 0.607 0.000 2.844) 2.908 27.924 ( -1.916 0.000 2.879) 3.459 27.994 ( 1.685 0.000 -8.519) 8.684 28.048 ( -3.052 0.000 -9.052) 9.553 28.322 ( 5.814 0.000 3.849) 6.973 28.435 ( -5.462 0.000 2.291) 5.923 28.835 ( 2.682 0.000 7.650) 8.106 28.866 ( 5.932 0.000 15.753) 16.833 28.887 ( -2.245 0.000 6.654) 7.023 28.976 ( -4.509 0.000 12.800) 13.571 29.132 ( 3.285 0.000 -2.735) 4.274 29.168 ( -0.004 0.000 -2.009) 2.009 29.487 ( 9.104 0.000 -3.992) 9.941 29.625 ( -4.008 0.000 -8.741) 9.616 29.853 ( 1.408 0.000 15.878) 15.941 29.924 ( -5.278 0.000 18.103) 18.857 30.065 ( 1.561 0.000 16.566) 16.639 30.168 ( -8.003 0.000 18.282) 19.957 30.728 ( 13.209 0.000 -6.437) 14.694 30.983 ( -11.214 0.000 -10.270) 15.206 31.183 ( 16.298 0.000 -15.409) 22.430 31.492 ( -13.403 0.000 -19.257) 23.462 ======================= Grid point 105 (40/54) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 2.770 1.415) 3.111 1.903 ( 0.000 0.336 2.565) 2.587 1.961 ( 0.000 -2.795 -2.783) 3.945 2.024 ( 0.000 -4.514 -3.048) 5.447 2.230 ( 0.000 1.280 4.147) 4.341 2.247 ( 0.000 0.592 3.179) 3.234 2.351 ( 0.000 4.989 -0.926) 5.075 2.419 ( 0.000 2.427 -5.804) 6.291 2.535 ( 0.000 -1.052 -1.912) 2.182 2.557 ( 0.000 -2.617 1.012) 2.806 2.968 ( 0.000 3.568 8.618) 9.327 3.115 ( 0.000 -2.339 6.323) 6.742 3.517 ( 0.000 18.582 15.348) 24.101 3.872 ( 0.000 7.238 6.630) 9.815 3.908 ( 0.000 4.970 -4.671) 6.821 4.180 ( 0.000 3.640 -3.593) 5.115 4.221 ( 0.000 6.488 8.316) 10.548 4.487 ( 0.000 -10.619 -2.178) 10.840 4.499 ( 0.000 -14.852 1.798) 14.961 4.689 ( 0.000 -14.826 12.744) 19.550 4.900 ( 0.000 -16.276 5.062) 17.045 4.977 ( 0.000 -0.375 8.706) 8.714 5.088 ( 0.000 -0.570 0.035) 0.571 5.237 ( 0.000 -16.165 1.709) 16.255 5.478 ( 0.000 13.102 -4.535) 13.865 5.553 ( 0.000 8.552 12.670) 15.286 5.830 ( 0.000 -6.641 3.238) 7.388 6.000 ( 0.000 0.398 9.116) 9.125 6.211 ( 0.000 6.460 7.040) 9.555 6.265 ( 0.000 0.776 9.413) 9.445 6.360 ( 0.000 -1.978 21.246) 21.338 6.597 ( 0.000 13.706 5.409) 14.735 6.825 ( 0.000 12.019 -3.740) 12.588 7.002 ( 0.000 14.954 8.210) 17.059 7.274 ( 0.000 1.374 15.055) 15.117 7.432 ( 0.000 -15.722 0.401) 15.727 7.550 ( 0.000 1.217 9.737) 9.813 7.794 ( 0.000 -4.327 1.328) 4.526 8.025 ( 0.000 4.740 -1.075) 4.860 8.189 ( 0.000 -3.525 6.799) 7.658 8.315 ( 0.000 -2.867 24.927) 25.091 8.522 ( 0.000 -16.290 8.738) 18.485 8.900 ( 0.000 -11.041 -8.824) 14.134 8.977 ( 0.000 -10.445 3.037) 10.878 9.267 ( 0.000 5.955 2.365) 6.407 9.314 ( 0.000 5.432 6.126) 8.188 9.398 ( 0.000 -2.030 -13.151) 13.307 9.680 ( 0.000 -0.479 6.220) 6.238 9.746 ( 0.000 4.822 -5.937) 7.649 9.832 ( 0.000 4.624 2.039) 5.053 10.185 ( 0.000 15.427 -1.534) 15.503 10.240 ( 0.000 18.318 -3.272) 18.607 10.381 ( 0.000 -1.048 -12.485) 12.529 10.477 ( 0.000 1.930 0.518) 1.999 10.527 ( 0.000 -3.355 -6.623) 7.424 10.722 ( 0.000 -10.681 0.859) 10.715 11.122 ( 0.000 -2.173 -3.468) 4.092 11.204 ( 0.000 7.515 -2.509) 7.923 11.470 ( 0.000 0.387 -5.517) 5.531 11.647 ( 0.000 -8.056 -12.787) 15.113 12.035 ( 0.000 4.344 -11.713) 12.493 12.066 ( 0.000 0.625 -19.081) 19.091 12.194 ( 0.000 4.252 10.591) 11.412 12.326 ( 0.000 -12.124 -1.174) 12.181 12.505 ( 0.000 -5.437 -1.607) 5.670 12.713 ( 0.000 -9.841 9.741) 13.847 12.736 ( 0.000 1.532 0.318) 1.565 12.902 ( 0.000 0.743 -11.845) 11.868 13.057 ( 0.000 -3.446 -9.433) 10.042 13.105 ( 0.000 2.328 -4.896) 5.421 13.200 ( 0.000 2.876 -10.052) 10.455 13.365 ( 0.000 -2.093 -8.605) 8.856 13.590 ( 0.000 11.524 -18.150) 21.500 13.703 ( 0.000 5.990 -13.457) 14.730 14.015 ( 0.000 -2.756 -2.533) 3.744 14.336 ( 0.000 -10.031 8.370) 13.065 14.631 ( 0.000 3.474 -6.792) 7.629 14.779 ( 0.000 0.084 -13.739) 13.739 14.964 ( 0.000 3.726 -5.718) 6.825 15.056 ( 0.000 0.052 4.404) 4.404 15.307 ( 0.000 -1.537 -7.388) 7.546 15.368 ( 0.000 -5.705 -3.987) 6.960 16.303 ( 0.000 9.028 13.295) 16.071 16.521 ( 0.000 3.959 -27.057) 27.345 16.837 ( 0.000 -1.709 -31.122) 31.169 16.923 ( 0.000 -8.538 12.282) 14.958 17.275 ( 0.000 7.994 -8.076) 11.363 17.584 ( 0.000 -4.850 1.245) 5.007 18.778 ( 0.000 -2.661 -13.202) 13.468 18.797 ( 0.000 -3.454 -7.848) 8.575 19.742 ( 0.000 -0.146 1.925) 1.930 19.788 ( 0.000 -1.998 -0.512) 2.063 20.345 ( 0.000 6.347 11.871) 13.462 20.708 ( 0.000 -7.756 7.721) 10.943 20.886 ( 0.000 4.108 -2.535) 4.827 20.904 ( 0.000 2.560 9.807) 10.136 21.134 ( 0.000 -6.266 7.218) 9.558 21.193 ( 0.000 -6.831 -4.462) 8.159 21.447 ( 0.000 4.128 -0.966) 4.240 21.577 ( 0.000 1.896 -3.702) 4.159 21.721 ( 0.000 3.409 -0.120) 3.411 21.746 ( 0.000 7.843 -4.512) 9.048 22.455 ( 0.000 8.150 16.800) 18.673 22.845 ( 0.000 4.012 6.939) 8.015 22.885 ( 0.000 -6.832 15.895) 17.301 23.077 ( 0.000 -5.944 5.438) 8.056 23.179 ( 0.000 -3.845 4.390) 5.836 23.317 ( 0.000 -7.039 -1.862) 7.281 23.539 ( 0.000 11.135 2.425) 11.396 23.693 ( 0.000 3.958 -1.012) 4.086 24.193 ( 0.000 -9.171 1.421) 9.281 24.215 ( 0.000 -8.420 4.369) 9.486 24.471 ( 0.000 10.233 9.706) 14.104 24.512 ( 0.000 8.256 6.119) 10.277 24.891 ( 0.000 -6.481 6.494) 9.175 24.965 ( 0.000 -9.468 8.750) 12.892 25.865 ( 0.000 8.300 -1.441) 8.424 26.070 ( 0.000 10.363 -4.534) 11.312 26.362 ( 0.000 -8.657 -2.234) 8.941 26.534 ( 0.000 -4.689 -5.884) 7.524 27.502 ( 0.000 8.120 -2.350) 8.453 27.731 ( 0.000 -5.523 -1.821) 5.815 27.915 ( 0.000 -5.326 -1.687) 5.586 27.991 ( 0.000 -5.818 -2.647) 6.391 28.127 ( 0.000 6.127 -2.097) 6.476 28.191 ( 0.000 5.081 -0.961) 5.171 28.230 ( 0.000 11.072 5.402) 12.320 28.591 ( 0.000 -4.107 7.903) 8.906 28.645 ( 0.000 -2.585 7.668) 8.092 28.674 ( 0.000 -4.172 7.101) 8.236 28.932 ( 0.000 1.576 5.740) 5.952 29.024 ( 0.000 -2.360 8.103) 8.439 29.105 ( 0.000 3.199 -1.565) 3.562 29.110 ( 0.000 1.060 2.021) 2.282 29.232 ( 0.000 1.725 -0.243) 1.742 29.582 ( 0.000 -8.436 -9.552) 12.743 29.912 ( 0.000 2.876 9.762) 10.177 30.064 ( 0.000 -3.583 6.057) 7.037 30.176 ( 0.000 2.028 19.279) 19.386 30.330 ( 0.000 -1.949 12.321) 12.474 30.475 ( 0.000 4.026 7.718) 8.705 30.660 ( 0.000 -1.641 -5.067) 5.326 31.336 ( 0.000 8.605 -14.142) 16.554 31.720 ( 0.000 -6.054 -20.304) 21.187 ======================= Grid point 106 (41/54) ======================= q-point: ( 0.20 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.590 2.377 1.010) 2.649 1.897 ( -0.526 0.582 2.226) 2.360 1.965 ( 0.477 -2.916 -3.039) 4.239 2.017 ( -0.652 -4.091 -3.174) 5.218 2.222 ( -0.560 2.106 3.950) 4.511 2.246 ( -0.208 1.148 2.564) 2.817 2.305 ( -1.828 3.483 -0.017) 3.934 2.419 ( -2.950 -0.344 -3.017) 4.233 2.567 ( 6.477 1.073 -0.104) 6.566 2.651 ( 5.833 -1.464 -1.643) 6.234 2.939 ( -2.831 3.079 7.227) 8.350 3.069 ( -4.686 -2.142 4.494) 6.837 3.581 ( 6.518 16.975 15.624) 23.974 3.922 ( 7.382 5.640 2.627) 9.655 4.049 ( 7.669 4.086 -3.473) 9.358 4.131 ( -2.208 5.619 -1.173) 6.150 4.238 ( 1.802 8.044 6.950) 10.782 4.445 ( 0.831 -12.765 2.559) 13.045 4.608 ( -2.207 -17.755 2.278) 18.036 4.669 ( 8.925 -19.315 0.571) 21.285 4.916 ( -2.972 -3.922 5.497) 7.378 5.017 ( 0.749 0.836 3.113) 3.309 5.123 ( -1.028 -7.252 8.971) 11.582 5.382 ( 8.149 -12.419 -1.018) 14.889 5.467 ( 6.642 12.928 4.482) 15.209 5.591 ( 2.525 6.132 13.158) 14.734 5.818 ( -8.645 0.595 7.601) 11.527 5.903 ( 5.742 -5.725 8.530) 11.769 6.087 ( -7.018 6.184 7.397) 11.925 6.301 ( 9.683 12.786 6.904) 17.461 6.476 ( 4.196 -9.521 16.810) 19.769 6.685 ( 2.025 15.939 9.032) 18.431 6.803 ( -1.838 2.824 -2.565) 4.234 6.960 ( -10.491 11.359 3.185) 15.787 7.179 ( 0.325 3.169 12.089) 12.502 7.347 ( -5.902 -7.366 5.556) 10.953 7.546 ( -5.194 0.080 2.078) 5.595 7.704 ( -7.836 0.410 0.814) 7.889 8.114 ( 8.239 -8.290 0.988) 11.730 8.224 ( 5.923 1.537 9.397) 11.214 8.439 ( 6.203 -10.729 17.052) 21.080 8.503 ( -2.228 -10.831 11.093) 15.663 8.781 ( -5.008 -1.655 0.990) 5.367 8.946 ( -11.227 -8.068 -3.956) 14.380 9.052 ( -11.653 -0.202 11.357) 16.273 9.279 ( -1.970 -3.937 3.742) 5.778 9.334 ( -5.966 6.006 -1.206) 8.551 9.662 ( -1.225 2.603 -1.609) 3.297 9.802 ( -6.058 -1.598 1.073) 6.356 9.815 ( 0.661 3.663 -2.731) 4.617 10.036 ( -4.693 7.584 -8.439) 12.278 10.113 ( -9.206 5.011 -1.304) 10.562 10.436 ( 5.567 12.361 -2.545) 13.794 10.495 ( 4.578 1.633 -10.512) 11.582 10.624 ( 7.945 9.167 -11.243) 16.539 10.802 ( 2.081 -4.861 -3.003) 6.081 11.140 ( 1.307 -1.886 -3.341) 4.053 11.317 ( -0.787 9.257 -1.985) 9.500 11.457 ( 11.747 -5.155 -2.521) 13.074 11.790 ( 7.769 -8.906 -9.798) 15.352 11.976 ( -6.577 6.852 -6.193) 11.339 12.069 ( 0.520 -0.020 -6.377) 6.398 12.172 ( -0.385 -8.797 -3.915) 9.636 12.309 ( -4.775 -9.432 3.163) 11.035 12.448 ( -2.393 -3.191 -4.163) 5.766 12.654 ( -4.795 -2.179 7.371) 9.059 12.753 ( 1.563 -2.676 -4.410) 5.390 12.917 ( -2.998 -7.158 -14.221) 16.201 13.040 ( 3.990 3.722 0.506) 5.480 13.154 ( 2.098 9.562 -6.026) 11.496 13.237 ( 5.200 0.779 -10.081) 11.370 13.428 ( 5.757 -1.685 -8.652) 10.528 13.567 ( -2.726 10.594 -17.695) 20.803 13.733 ( 1.296 2.791 -10.475) 10.917 13.987 ( -1.093 -5.833 -10.318) 11.904 14.146 ( -13.247 -8.387 8.896) 18.026 14.643 ( 0.964 1.355 -12.775) 12.883 14.776 ( -0.257 1.077 -13.609) 13.654 14.974 ( -1.151 6.957 -11.610) 13.583 15.123 ( -4.545 3.509 -14.775) 15.852 15.309 ( 6.816 -3.714 7.689) 10.926 15.549 ( 19.665 -8.104 8.982) 23.088 16.196 ( -9.488 9.289 14.526) 19.680 16.617 ( 4.931 -0.864 -19.470) 20.103 16.812 ( -4.525 -2.264 5.241) 7.285 16.987 ( 10.336 -3.177 -27.418) 29.473 17.223 ( -4.282 8.566 -11.947) 15.312 17.602 ( -0.486 -6.205 -4.546) 7.708 18.731 ( 2.670 2.136 -5.190) 6.215 18.991 ( 12.182 -7.597 -9.244) 17.075 19.569 ( -13.245 2.024 4.324) 14.079 19.763 ( -5.635 -5.613 -1.830) 8.161 20.389 ( 4.023 6.376 11.818) 14.018 20.715 ( 0.336 -4.881 9.263) 10.476 20.806 ( -4.485 1.634 9.181) 10.348 20.981 ( 4.207 2.325 -1.791) 5.130 21.076 ( -4.565 -5.629 6.814) 9.948 21.219 ( 1.404 -2.983 0.100) 3.299 21.430 ( -1.055 0.546 -4.785) 4.930 21.539 ( -2.728 1.958 -2.211) 4.020 21.693 ( -0.186 5.053 -2.826) 5.792 21.859 ( 7.758 6.352 -3.633) 10.665 22.251 ( -14.027 9.869 11.689) 20.756 22.701 ( -13.675 -0.497 2.745) 13.957 22.904 ( 1.927 -4.525 11.901) 12.877 23.070 ( -1.397 -5.067 5.982) 7.963 23.200 ( 0.183 -6.850 5.134) 8.563 23.328 ( 0.862 -8.843 1.148) 8.959 23.627 ( 7.069 10.082 3.071) 12.691 23.774 ( 7.353 9.798 1.630) 12.359 24.200 ( 3.830 -7.947 4.870) 10.077 24.315 ( 3.827 -5.801 2.827) 7.503 24.472 ( 0.500 8.788 9.237) 12.760 24.498 ( -0.593 6.700 6.760) 9.536 24.872 ( -0.895 -7.004 8.317) 10.910 24.976 ( 0.179 -9.697 7.829) 12.464 25.893 ( 2.605 8.222 -1.992) 8.852 26.060 ( -1.039 9.993 -4.506) 11.011 26.365 ( 0.348 -8.089 -2.148) 8.376 26.501 ( -2.951 -4.721 -4.995) 7.480 27.518 ( 1.658 7.264 -2.235) 7.779 27.717 ( -1.562 -4.366 -1.849) 4.993 27.870 ( -3.167 -4.979 -0.488) 5.921 27.945 ( -3.826 -5.071 -1.303) 6.485 28.124 ( -0.869 8.165 -5.674) 9.981 28.182 ( -1.882 7.070 -1.188) 7.412 28.242 ( 2.876 3.844 5.523) 7.318 28.518 ( -5.626 -3.129 1.127) 6.536 28.692 ( 5.954 -3.280 14.771) 16.260 28.749 ( 3.725 -3.136 7.826) 9.217 28.926 ( -0.955 0.872 6.943) 7.062 29.011 ( -1.672 -2.336 9.341) 9.772 29.120 ( 2.664 3.897 -1.212) 4.873 29.158 ( 3.126 2.026 -0.715) 3.793 29.293 ( 5.460 -0.233 -0.616) 5.499 29.579 ( -0.539 -7.768 -9.345) 12.164 29.897 ( -1.029 3.178 11.540) 12.013 30.037 ( -2.291 -2.129 10.578) 11.030 30.097 ( -5.250 2.423 18.266) 19.159 30.279 ( -6.263 -4.679 17.876) 19.511 30.565 ( 9.842 6.967 -1.548) 12.157 30.823 ( 13.093 -3.415 -7.853) 15.644 31.266 ( -6.726 8.316 -13.610) 17.310 31.643 ( -7.475 -5.996 -19.785) 21.984 ======================= Grid point 107 (42/54) ======================= q-point: ( 0.40 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.781 1.719 0.706) 2.016 1.884 ( -0.684 1.173 1.247) 1.844 1.980 ( 0.900 -3.225 -3.396) 4.769 1.999 ( -0.971 -3.552 -3.328) 4.963 2.218 ( 0.328 3.442 3.153) 4.679 2.234 ( -0.979 3.422 1.560) 3.886 2.301 ( 1.446 0.068 1.967) 2.442 2.352 ( -3.181 -0.853 0.310) 3.308 2.719 ( 7.640 1.460 0.631) 7.804 2.781 ( 6.918 -0.680 -0.575) 6.975 2.855 ( -5.383 2.065 3.799) 6.904 2.935 ( -7.766 -0.981 1.411) 7.954 3.768 ( 10.803 12.205 11.717) 20.074 3.974 ( -8.416 7.467 5.013) 12.318 4.108 ( 7.792 4.688 -0.717) 9.122 4.196 ( -0.515 4.437 -0.474) 4.492 4.370 ( 13.334 8.407 -1.959) 15.884 4.543 ( 4.827 -10.135 5.721) 12.599 4.602 ( 2.510 -17.771 -1.482) 18.008 4.705 ( -5.641 -15.755 1.373) 16.790 4.829 ( -9.380 1.821 2.722) 9.936 4.939 ( -10.626 -12.026 16.771) 23.213 5.061 ( 10.329 -9.765 2.572) 14.445 5.346 ( -12.661 -11.120 2.826) 17.086 5.555 ( 6.053 14.250 1.505) 15.555 5.686 ( -2.406 16.467 3.813) 17.073 5.911 ( 18.124 4.589 20.967) 28.092 6.128 ( 12.770 2.884 8.591) 15.659 6.216 ( 15.082 1.620 9.733) 18.023 6.374 ( -12.445 -8.656 19.364) 24.592 6.504 ( -0.174 1.958 -3.495) 4.010 6.624 ( 1.601 7.678 11.874) 14.230 6.690 ( -9.070 -5.831 2.259) 11.016 6.789 ( -4.576 12.469 9.578) 16.375 7.251 ( 0.949 4.745 -2.107) 5.278 7.283 ( 5.574 4.472 1.120) 7.234 7.373 ( -8.363 -5.529 4.575) 11.020 7.483 ( -13.515 10.233 -8.683) 19.046 8.268 ( 6.702 -20.234 0.626) 21.324 8.364 ( 0.935 -14.585 -3.475) 15.022 8.455 ( 1.047 -1.915 19.385) 19.507 8.538 ( 6.574 -7.462 20.193) 22.509 8.602 ( -9.736 -3.763 11.133) 15.260 8.788 ( -13.464 -9.812 16.896) 23.728 8.900 ( 7.538 8.334 0.810) 11.266 9.097 ( -11.105 11.745 2.264) 16.321 9.369 ( 6.209 -4.389 3.397) 8.328 9.539 ( -9.850 -1.309 1.622) 10.068 9.724 ( -2.526 9.634 1.540) 10.078 9.741 ( -2.972 9.612 1.085) 10.120 9.994 ( 1.939 -4.314 -9.319) 10.450 10.056 ( -0.745 -8.475 -10.735) 13.697 10.583 ( 4.639 2.790 -13.229) 14.293 10.622 ( 6.761 10.955 -11.281) 17.117 10.716 ( 1.349 9.749 -9.765) 13.865 10.802 ( -1.869 7.868 -6.518) 10.387 11.167 ( 3.081 6.059 -2.366) 7.198 11.264 ( -3.822 10.919 -0.509) 11.580 11.728 ( 8.999 -8.945 -3.411) 13.139 11.876 ( -4.040 -5.037 -2.075) 6.782 11.893 ( 6.198 -0.293 3.655) 7.202 12.079 ( 3.238 -11.351 -3.505) 12.314 12.121 ( -10.676 -7.745 3.716) 13.703 12.166 ( -3.242 -14.831 -6.784) 16.628 12.449 ( 2.571 3.906 -4.622) 6.574 12.540 ( -5.716 4.152 -0.887) 7.121 12.790 ( 1.491 -6.907 -5.521) 8.967 12.833 ( -3.358 -9.841 -8.653) 13.528 13.187 ( 8.412 7.452 -0.957) 11.278 13.258 ( 7.535 9.898 -8.027) 14.805 13.307 ( -0.159 7.625 -5.118) 9.185 13.446 ( -7.995 11.919 -12.913) 19.306 13.584 ( 7.770 -4.828 -6.211) 11.057 13.717 ( -3.641 -3.898 -8.723) 10.224 13.952 ( -3.070 -8.283 -4.530) 9.928 13.974 ( -2.008 -6.914 -16.628) 18.120 14.683 ( 3.792 1.950 -14.396) 15.014 14.768 ( -1.843 5.139 -12.361) 13.512 14.891 ( -2.948 -0.256 -19.063) 19.292 14.960 ( -7.783 1.926 -17.808) 19.530 15.589 ( 17.273 4.748 15.706) 23.824 15.925 ( -12.019 6.830 16.694) 21.675 16.031 ( 19.984 -7.836 11.799) 24.495 16.448 ( -17.339 -10.573 11.269) 23.226 16.917 ( 10.239 8.594 -19.588) 23.714 17.105 ( -7.533 8.788 -17.172) 20.709 17.253 ( 13.921 -4.156 -25.632) 29.463 17.502 ( -9.373 -6.042 -16.722) 20.099 18.909 ( 13.941 4.122 3.391) 14.928 19.228 ( -8.430 0.120 1.184) 8.514 19.288 ( 5.711 -6.412 -0.994) 8.644 19.564 ( -12.997 -8.976 -3.251) 16.127 20.498 ( 6.559 5.767 11.979) 14.824 20.642 ( -6.912 4.638 10.953) 13.757 20.801 ( 4.053 -6.283 12.468) 14.538 20.922 ( -7.067 -6.467 10.383) 14.127 21.112 ( 5.677 5.066 -2.672) 8.064 21.211 ( -3.022 4.391 0.600) 5.364 21.427 ( 1.546 -6.417 -8.027) 10.392 21.483 ( -3.023 -4.745 -4.262) 7.058 21.746 ( 6.014 11.741 -0.470) 13.200 21.917 ( -8.379 14.544 0.954) 16.812 22.124 ( 8.717 1.135 -0.597) 8.811 22.392 ( -15.247 -0.020 -1.917) 15.367 22.973 ( 4.503 -4.839 7.587) 10.063 23.049 ( -1.639 -3.738 6.333) 7.534 23.175 ( 0.573 -10.202 3.925) 10.946 23.267 ( -6.127 -11.587 1.971) 13.255 23.819 ( 9.333 12.261 5.900) 16.500 23.901 ( 2.425 12.175 5.258) 13.482 24.278 ( 2.074 -2.942 4.990) 6.153 24.316 ( -2.065 1.516 4.596) 5.262 24.484 ( 1.985 4.830 8.519) 9.992 24.520 ( 0.197 -0.205 7.965) 7.970 24.886 ( 2.543 -8.583 8.963) 12.668 24.950 ( -2.739 -9.756 8.041) 12.936 25.960 ( 3.603 8.344 -3.247) 9.651 26.025 ( -2.488 9.107 -4.230) 10.345 26.382 ( 1.536 -6.676 -2.171) 7.186 26.432 ( -3.272 -5.262 -3.196) 6.972 27.571 ( 3.563 4.491 -1.860) 6.027 27.656 ( -4.241 -0.051 -1.576) 4.525 27.835 ( 0.216 -5.247 -0.523) 5.277 27.871 ( -2.970 -4.942 -0.697) 5.807 28.111 ( 0.193 8.203 -4.936) 9.576 28.136 ( -2.061 7.159 -3.066) 8.056 28.320 ( 4.185 -0.655 2.801) 5.078 28.410 ( -4.821 -2.671 1.258) 5.653 28.811 ( 4.390 -1.796 10.307) 11.346 28.834 ( 5.435 -2.088 12.575) 13.858 28.886 ( -2.833 -0.165 8.869) 9.312 28.946 ( -4.585 -2.305 11.916) 12.974 29.189 ( 2.997 4.579 -2.490) 6.012 29.209 ( 1.172 4.037 -2.407) 4.844 29.428 ( 6.922 -4.786 -3.320) 9.047 29.541 ( -3.670 -6.993 -7.633) 10.983 29.898 ( 1.604 3.632 15.365) 15.870 29.963 ( -4.422 3.193 18.037) 18.843 30.047 ( 1.156 -1.671 16.163) 16.290 30.133 ( -6.750 -2.938 18.692) 20.089 30.811 ( 13.269 6.959 -7.776) 16.880 31.069 ( -9.932 6.820 -11.978) 16.989 31.131 ( 13.891 -4.213 -13.889) 20.090 31.428 ( -13.168 -5.748 -18.014) 23.042 ======================= Grid point 110 (43/54) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 -2.173 -0.688) 2.279 1.902 ( 0.000 2.173 -0.688) 2.279 1.940 ( 0.000 -3.339 1.171) 3.539 1.940 ( 0.000 3.339 1.171) 3.539 2.249 ( 0.000 -0.437 3.342) 3.370 2.249 ( 0.000 0.437 3.342) 3.370 2.445 ( 0.000 -2.299 -4.276) 4.855 2.445 ( 0.000 2.299 -4.276) 4.855 2.509 ( 0.000 -0.178 0.142) 0.228 2.509 ( 0.000 0.178 0.142) 0.228 3.053 ( 0.000 -3.703 6.527) 7.504 3.053 ( 0.000 3.703 6.527) 7.504 3.951 ( 0.000 -14.243 8.258) 16.464 3.951 ( 0.000 14.243 8.258) 16.464 4.046 ( 0.000 -6.821 3.619) 7.721 4.046 ( 0.000 6.821 3.619) 7.721 4.259 ( 0.000 -2.531 -3.222) 4.097 4.259 ( 0.000 2.531 -3.222) 4.097 4.442 ( 0.000 -7.830 12.311) 14.590 4.442 ( 0.000 7.830 12.311) 14.590 4.864 ( 0.000 -12.436 0.552) 12.449 4.864 ( 0.000 12.436 0.552) 12.449 5.046 ( 0.000 -5.753 0.513) 5.775 5.046 ( 0.000 5.753 0.513) 5.775 5.685 ( 0.000 -6.501 1.747) 6.732 5.685 ( 0.000 6.501 1.747) 6.732 5.756 ( 0.000 -11.066 16.032) 19.480 5.756 ( 0.000 11.066 16.032) 19.480 6.251 ( 0.000 -0.093 2.686) 2.688 6.251 ( 0.000 0.093 2.686) 2.688 6.668 ( 0.000 -15.572 17.487) 23.415 6.668 ( 0.000 15.572 17.487) 23.415 7.103 ( 0.000 -2.363 3.675) 4.369 7.103 ( 0.000 2.363 3.675) 4.369 7.281 ( 0.000 -4.208 7.360) 8.478 7.281 ( 0.000 4.208 7.360) 8.478 7.638 ( 0.000 -8.259 1.188) 8.344 7.638 ( 0.000 8.259 1.188) 8.344 7.987 ( 0.000 -0.524 -0.956) 1.090 7.987 ( 0.000 0.524 -0.956) 1.090 8.390 ( 0.000 -5.943 18.131) 19.080 8.390 ( 0.000 5.944 18.131) 19.080 8.808 ( 0.000 -3.366 -1.697) 3.770 8.808 ( 0.000 3.366 -1.697) 3.770 9.318 ( 0.000 -1.203 -2.828) 3.073 9.318 ( 0.000 1.203 -2.828) 3.073 9.526 ( 0.000 -9.232 -0.664) 9.256 9.526 ( 0.000 9.232 -0.664) 9.256 9.902 ( 0.000 -2.230 4.434) 4.963 9.902 ( 0.000 2.230 4.434) 4.963 10.304 ( 0.000 -0.714 -1.073) 1.289 10.304 ( 0.000 0.714 -1.073) 1.289 10.488 ( 0.000 -6.064 -2.313) 6.490 10.488 ( 0.000 6.064 -2.313) 6.490 10.619 ( 0.000 -0.217 -5.704) 5.708 10.619 ( 0.000 0.217 -5.704) 5.708 11.196 ( 0.000 -13.032 -9.775) 16.290 11.196 ( 0.000 13.032 -9.775) 16.290 11.451 ( 0.000 -8.326 -8.138) 11.643 11.451 ( 0.000 8.326 -8.138) 11.643 12.059 ( 0.000 -0.194 -1.357) 1.371 12.059 ( 0.000 0.194 -1.357) 1.371 12.248 ( 0.000 -0.569 0.303) 0.645 12.248 ( 0.000 0.569 0.303) 0.645 12.539 ( 0.000 -5.747 4.212) 7.126 12.539 ( 0.000 5.747 4.212) 7.126 12.832 ( 0.000 -6.069 -12.289) 13.706 12.832 ( 0.000 6.069 -12.289) 13.706 13.050 ( 0.000 -3.768 -15.303) 15.760 13.050 ( 0.000 3.768 -15.303) 15.760 13.273 ( 0.000 -4.940 -3.936) 6.316 13.273 ( 0.000 4.940 -3.936) 6.316 13.784 ( 0.000 -4.092 -20.200) 20.611 13.784 ( 0.000 4.092 -20.200) 20.611 14.081 ( 0.000 -11.136 6.053) 12.675 14.081 ( 0.000 11.136 6.053) 12.675 14.723 ( 0.000 -4.484 -12.356) 13.144 14.723 ( 0.000 4.484 -12.356) 13.144 15.055 ( 0.000 -2.502 15.695) 15.893 15.055 ( 0.000 2.502 15.695) 15.893 15.274 ( 0.000 -0.709 -16.333) 16.349 15.274 ( 0.000 0.709 -16.333) 16.349 16.510 ( 0.000 -7.301 -7.967) 10.806 16.510 ( 0.000 7.301 -7.967) 10.806 16.805 ( 0.000 -0.414 -7.473) 7.485 16.805 ( 0.000 0.414 -7.473) 7.485 17.446 ( 0.000 -7.616 -4.368) 8.780 17.446 ( 0.000 7.616 -4.368) 8.780 18.746 ( 0.000 -0.435 -10.452) 10.461 18.746 ( 0.000 0.435 -10.452) 10.461 19.751 ( 0.000 -1.122 1.278) 1.701 19.751 ( 0.000 1.122 1.278) 1.701 20.516 ( 0.000 -9.143 10.555) 13.965 20.516 ( 0.000 9.143 10.555) 13.965 20.970 ( 0.000 -1.081 3.943) 4.089 20.970 ( 0.000 1.081 3.943) 4.089 21.048 ( 0.000 -3.282 0.411) 3.308 21.048 ( 0.000 3.282 0.411) 3.308 21.536 ( 0.000 -3.895 -6.161) 7.289 21.536 ( 0.000 3.895 -6.161) 7.289 21.829 ( 0.000 -2.234 2.208) 3.141 21.829 ( 0.000 2.234 2.208) 3.141 22.674 ( 0.000 -11.183 16.378) 19.832 22.674 ( 0.000 11.183 16.378) 19.832 22.962 ( 0.000 -5.342 6.522) 8.431 22.962 ( 0.000 5.342 6.522) 8.431 23.153 ( 0.000 -4.194 0.687) 4.250 23.153 ( 0.000 4.194 0.687) 4.250 23.760 ( 0.000 -4.743 3.092) 5.662 23.760 ( 0.000 4.743 3.092) 5.662 24.053 ( 0.000 -2.115 0.443) 2.161 24.053 ( 0.000 2.115 0.443) 2.161 24.710 ( 0.000 -7.564 7.773) 10.847 24.710 ( 0.000 7.564 7.773) 10.847 24.724 ( 0.000 -10.254 7.538) 12.726 24.724 ( 0.000 10.254 7.538) 12.726 26.082 ( 0.000 -10.486 0.048) 10.486 26.082 ( 0.000 10.486 0.048) 10.486 26.368 ( 0.000 -9.862 -8.568) 13.064 26.368 ( 0.000 9.862 -8.568) 13.064 27.652 ( 0.000 -4.141 -2.335) 4.754 27.652 ( 0.000 4.141 -2.335) 4.754 27.874 ( 0.000 -2.909 -2.982) 4.166 27.874 ( 0.000 2.909 -2.982) 4.166 28.221 ( 0.000 -2.526 2.938) 3.875 28.221 ( 0.000 2.526 2.938) 3.875 28.484 ( 0.000 -10.429 0.127) 10.430 28.484 ( 0.000 10.429 0.127) 10.430 28.584 ( 0.000 -1.496 10.670) 10.774 28.584 ( 0.000 1.496 10.670) 10.774 28.971 ( 0.000 -2.309 8.199) 8.518 28.971 ( 0.000 2.309 8.199) 8.518 29.133 ( 0.000 -0.708 1.800) 1.934 29.133 ( 0.000 0.708 1.800) 1.934 29.369 ( 0.000 -10.062 -7.487) 12.542 29.369 ( 0.000 10.062 -7.487) 12.542 29.986 ( 0.000 -3.676 6.385) 7.368 29.986 ( 0.000 3.676 6.385) 7.368 30.246 ( 0.000 -4.273 19.609) 20.069 30.246 ( 0.000 4.273 19.609) 20.069 30.590 ( 0.000 -4.927 -0.832) 4.997 30.590 ( 0.000 4.927 -0.832) 4.997 31.545 ( 0.000 -9.778 -17.246) 19.825 31.545 ( 0.000 9.778 -17.246) 19.825 ======================= Grid point 112 (44/54) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.235 -2.278 -0.710) 2.398 1.903 ( 0.235 2.278 -0.710) 2.398 1.939 ( -0.166 -3.153 0.291) 3.171 1.939 ( -0.166 3.153 0.291) 3.171 2.252 ( 0.341 -0.578 3.100) 3.172 2.252 ( 0.341 0.578 3.100) 3.172 2.382 ( -3.500 -3.053 -1.102) 4.774 2.382 ( -3.500 3.053 -1.102) 4.774 2.608 ( 6.745 -2.376 -1.660) 7.341 2.608 ( 6.745 2.376 -1.660) 7.341 3.012 ( -3.888 -3.274 5.534) 7.515 3.012 ( -3.888 3.274 5.534) 7.515 4.007 ( 4.624 -17.345 9.168) 20.157 4.007 ( 4.624 17.346 9.168) 20.157 4.101 ( 5.765 -9.134 3.474) 11.346 4.101 ( 5.765 9.134 3.474) 11.346 4.280 ( 0.268 -3.241 0.436) 3.281 4.280 ( 0.268 3.241 0.436) 3.281 4.404 ( 1.207 -2.864 0.234) 3.117 4.404 ( 1.207 2.864 0.234) 3.117 4.925 ( -5.384 -8.450 7.403) 12.458 4.925 ( -5.384 8.450 7.403) 12.458 5.127 ( 10.998 -8.962 2.571) 14.418 5.127 ( 10.998 8.962 2.571) 14.418 5.660 ( -2.206 -3.754 6.032) 7.440 5.660 ( -2.206 3.754 6.032) 7.440 5.805 ( 9.516 -2.301 8.454) 12.935 5.805 ( 9.516 2.301 8.454) 12.935 6.235 ( -2.536 -7.818 5.710) 10.008 6.235 ( -2.536 7.818 5.710) 10.008 6.697 ( 2.919 -15.555 12.308) 20.049 6.697 ( 2.919 15.555 12.308) 20.049 6.943 ( -11.308 -5.550 7.367) 14.593 6.943 ( -11.308 5.550 7.367) 14.593 7.303 ( -1.218 -12.342 12.456) 17.577 7.303 ( -1.218 12.342 12.456) 17.577 7.675 ( 2.194 -13.771 -8.079) 16.115 7.675 ( 2.194 13.771 -8.079) 16.115 7.962 ( -2.296 -15.226 -0.770) 15.418 7.962 ( -2.296 15.226 -0.770) 15.418 8.416 ( 1.861 -6.274 16.364) 17.624 8.416 ( 1.861 6.274 16.364) 17.624 8.827 ( -0.511 -3.977 3.643) 5.418 8.827 ( -0.511 3.978 3.643) 5.418 9.097 ( -10.843 -5.950 4.566) 13.184 9.097 ( -10.843 5.950 4.566) 13.184 9.570 ( -5.662 -10.934 -3.953) 12.932 9.570 ( -5.662 10.934 -3.953) 12.932 9.804 ( -1.889 -4.726 2.827) 5.822 9.804 ( -1.889 4.726 2.827) 5.822 10.161 ( -10.142 -1.124 -3.823) 10.897 10.161 ( -10.142 1.124 -3.823) 10.897 10.593 ( 8.363 -3.166 -2.875) 9.393 10.593 ( 8.363 3.166 -2.875) 9.393 10.758 ( 8.185 -4.795 -7.018) 11.799 10.758 ( 8.185 4.795 -7.018) 11.799 11.217 ( 2.998 -13.818 -6.194) 15.437 11.217 ( 2.998 13.818 -6.194) 15.437 11.541 ( 6.934 -12.847 -8.368) 16.827 11.541 ( 6.934 12.847 -8.368) 16.827 12.024 ( -4.235 -2.487 -0.712) 4.963 12.024 ( -4.235 2.487 -0.712) 4.963 12.167 ( -6.521 -5.776 0.941) 8.762 12.167 ( -6.521 5.776 0.941) 8.762 12.533 ( 0.224 -6.612 -0.303) 6.622 12.533 ( 0.224 6.612 -0.303) 6.622 12.786 ( -4.215 -3.946 -9.284) 10.933 12.786 ( -4.215 3.946 -9.284) 10.933 13.146 ( 8.271 -6.425 -10.793) 15.039 13.146 ( 8.271 6.425 -10.793) 15.039 13.319 ( 4.696 -6.403 -6.785) 10.444 13.319 ( 4.696 6.403 -6.785) 10.444 13.800 ( 0.260 -7.775 -20.141) 21.591 13.800 ( 0.260 7.775 -20.141) 21.591 13.932 ( -10.698 -9.254 5.522) 15.185 13.932 ( -10.698 9.254 5.522) 15.185 14.719 ( 0.327 -4.828 -15.080) 15.838 14.719 ( 0.327 4.828 -15.080) 15.838 15.134 ( -6.704 -6.496 -10.445) 14.009 15.134 ( -6.704 6.496 -10.445) 14.009 15.340 ( 17.819 -9.577 9.706) 22.438 15.340 ( 17.819 9.577 9.706) 22.438 16.441 ( -8.058 -12.119 6.472) 15.928 16.441 ( -8.058 12.119 6.472) 15.928 16.889 ( 8.646 -5.768 -19.706) 22.279 16.889 ( 8.646 5.768 -19.706) 22.279 17.425 ( -2.556 -9.607 -8.245) 12.915 17.425 ( -2.556 9.607 -8.245) 12.915 18.825 ( 7.705 -6.662 -7.076) 12.403 18.825 ( 7.705 6.662 -7.076) 12.403 19.643 ( -10.183 -4.875 1.926) 11.453 19.643 ( -10.183 4.875 1.926) 11.453 20.552 ( 3.260 -8.385 11.226) 14.386 20.552 ( 3.260 8.385 11.226) 14.386 20.905 ( -5.373 -6.241 7.196) 10.936 20.905 ( -5.373 6.241 7.196) 10.936 21.106 ( 4.857 -5.683 -2.228) 7.801 21.106 ( 4.857 5.683 -2.228) 7.801 21.492 ( -4.220 -3.865 -5.944) 8.251 21.492 ( -4.220 3.865 -5.944) 8.251 21.873 ( 4.452 -6.243 1.201) 7.761 21.873 ( 4.452 6.243 1.201) 7.761 22.523 ( -11.968 -13.586 9.540) 20.466 22.523 ( -11.968 13.586 9.540) 20.466 22.941 ( -1.395 -6.197 6.721) 9.248 22.941 ( -1.395 6.197 6.721) 9.248 23.155 ( -1.405 -4.252 2.650) 5.204 23.155 ( -1.405 4.252 2.650) 5.204 23.860 ( 9.136 -7.784 4.243) 12.730 23.860 ( 9.136 7.784 4.243) 12.730 24.129 ( 5.682 -7.136 2.028) 9.345 24.129 ( 5.682 7.136 2.028) 9.345 24.681 ( -1.846 -9.789 7.609) 12.535 24.681 ( -1.846 9.789 7.609) 12.535 24.728 ( -0.399 -12.233 8.235) 14.751 24.728 ( -0.399 12.233 8.235) 14.751 26.106 ( 2.310 -9.963 -0.657) 10.249 26.106 ( 2.310 9.963 -0.657) 10.249 26.339 ( -2.821 -9.346 -7.597) 12.370 26.339 ( -2.821 9.346 -7.597) 12.370 27.660 ( 0.830 -3.791 -2.257) 4.489 27.660 ( 0.830 3.791 -2.257) 4.489 27.826 ( -3.914 -3.075 -1.894) 5.325 27.826 ( -3.914 3.075 -1.894) 5.325 28.233 ( 0.924 -2.149 0.623) 2.421 28.233 ( 0.924 2.149 0.623) 2.421 28.402 ( -5.195 -7.933 0.894) 9.525 28.402 ( -5.195 7.933 0.894) 9.525 28.672 ( 5.957 -2.293 10.835) 12.575 28.672 ( 5.957 2.293 10.835) 12.575 28.958 ( -1.544 -2.184 9.088) 9.474 28.958 ( -1.544 2.184 9.088) 9.474 29.177 ( 4.149 -1.524 0.628) 4.464 29.177 ( 4.149 1.524 0.628) 4.464 29.386 ( 1.011 -8.778 -6.970) 11.254 29.386 ( 1.011 8.778 -6.970) 11.254 29.973 ( -0.790 -3.531 9.463) 10.131 29.973 ( -0.790 3.531 9.463) 10.131 30.176 ( -5.616 -4.566 19.691) 20.979 30.176 ( -5.616 4.566 19.691) 20.979 30.716 ( 10.884 -6.438 -4.622) 13.464 30.716 ( 10.884 6.438 -4.622) 13.464 31.469 ( -7.237 -9.603 -16.755) 20.623 31.469 ( -7.237 9.603 -16.755) 20.623 ======================= Grid point 114 (45/54) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.778 -2.422 -0.940) 2.712 1.914 ( 0.778 2.422 -0.940) 2.712 1.930 ( -0.718 -2.710 -0.803) 2.917 1.930 ( -0.718 2.710 -0.803) 2.917 2.271 ( 1.647 -1.094 2.386) 3.099 2.271 ( 1.647 1.094 2.386) 3.099 2.317 ( -2.811 -2.060 0.973) 3.618 2.317 ( -2.811 2.060 0.973) 3.618 2.756 ( 7.493 -1.655 -0.249) 7.677 2.756 ( 7.493 1.655 -0.249) 7.677 2.903 ( -6.597 -2.024 2.758) 7.431 2.903 ( -6.597 2.024 2.758) 7.431 4.117 ( 5.260 -17.224 6.755) 19.234 4.117 ( 5.260 17.224 6.755) 19.234 4.185 ( -0.649 -7.266 2.393) 7.678 4.185 ( -0.649 7.266 2.393) 7.678 4.325 ( 7.330 -8.095 3.105) 11.354 4.325 ( 7.330 8.095 3.105) 11.354 4.472 ( -1.431 -5.552 -1.037) 5.827 4.472 ( -1.431 5.552 -1.037) 5.827 4.824 ( 3.458 -9.744 6.199) 12.055 4.824 ( 3.458 9.744 6.199) 12.055 5.077 ( -14.312 -12.712 3.917) 19.539 5.077 ( -14.312 12.712 3.917) 19.539 5.829 ( 15.477 -9.134 9.945) 20.539 5.829 ( 15.477 9.134 9.945) 20.539 6.081 ( -1.822 -16.507 8.425) 18.622 6.081 ( -1.822 16.507 8.425) 18.622 6.180 ( 13.931 -2.649 7.640) 16.108 6.180 ( 13.931 2.649 7.640) 16.108 6.583 ( -17.041 -4.220 1.034) 17.586 6.583 ( -17.041 4.220 1.034) 17.586 6.902 ( 9.789 -12.976 14.008) 21.457 6.902 ( 9.789 12.976 14.008) 21.457 7.158 ( -12.473 -10.708 10.707) 19.618 7.158 ( -12.473 10.708 10.707) 19.618 7.749 ( 5.813 -19.100 -10.606) 22.607 7.749 ( 5.813 19.100 -10.606) 22.607 7.880 ( -5.899 -18.766 -7.159) 20.933 7.880 ( -5.899 18.766 -7.159) 20.933 8.464 ( 4.349 -1.856 17.740) 18.359 8.464 ( 4.349 1.856 17.740) 18.359 8.642 ( -12.605 -4.722 18.308) 22.724 8.642 ( -12.605 4.722 18.308) 22.724 9.139 ( 10.331 -12.535 2.870) 16.496 9.139 ( 10.331 12.535 2.870) 16.496 9.365 ( -11.006 -11.576 0.641) 15.986 9.365 ( -11.006 11.576 0.641) 15.986 9.846 ( 4.114 -3.139 -3.327) 6.152 9.846 ( 4.114 3.139 -3.327) 6.152 9.971 ( -8.066 -2.709 -3.795) 9.317 9.971 ( -8.066 2.709 -3.795) 9.317 10.749 ( 6.536 -7.096 -6.768) 11.784 10.749 ( 6.536 7.096 -6.768) 11.784 10.838 ( -1.117 -7.342 -7.294) 10.409 10.838 ( -1.117 7.342 -7.294) 10.409 11.371 ( 12.041 -13.812 -4.154) 18.789 11.371 ( 12.041 13.812 -4.154) 18.789 11.600 ( -5.691 -13.938 -7.740) 16.928 11.600 ( -5.691 13.938 -7.740) 16.928 11.933 ( 0.473 -3.223 1.652) 3.652 11.933 ( 0.473 3.223 1.652) 3.652 12.037 ( -6.479 -2.904 -0.348) 7.108 12.037 ( -6.479 2.904 -0.348) 7.108 12.572 ( 3.707 -5.390 -3.464) 7.402 12.572 ( 3.707 5.390 -3.464) 7.402 12.676 ( -5.974 -2.792 -6.281) 9.107 12.676 ( -5.974 2.792 -6.281) 9.107 13.333 ( 8.894 -5.233 -2.383) 10.590 13.333 ( 8.894 5.233 -2.383) 10.590 13.429 ( 2.506 -6.839 -6.229) 9.584 13.429 ( 2.506 6.839 -6.229) 9.584 13.725 ( -2.852 -10.034 -6.968) 12.544 13.725 ( -2.852 10.034 -6.968) 12.544 13.792 ( -5.043 -7.783 -17.536) 19.838 13.792 ( -5.043 7.783 -17.536) 19.838 14.769 ( 5.276 -4.766 -16.124) 17.622 14.769 ( 5.276 4.766 -16.124) 17.622 14.934 ( -10.213 -4.171 -15.988) 19.425 14.934 ( -10.213 4.171 -15.988) 19.425 15.777 ( 21.950 -11.722 14.572) 28.837 15.777 ( 21.950 11.722 14.572) 28.837 16.180 ( -16.895 -13.197 13.928) 25.565 16.180 ( -16.895 13.197 13.928) 25.565 17.113 ( 11.796 -8.581 -22.253) 26.608 17.113 ( 11.796 8.581 -22.253) 26.608 17.321 ( -7.904 -10.220 -16.204) 20.724 17.321 ( -7.904 10.220 -16.204) 20.724 19.053 ( 14.202 -9.153 -1.060) 16.930 19.053 ( 14.202 9.153 -1.060) 16.930 19.369 ( -15.641 -7.976 2.022) 17.674 19.369 ( -15.641 7.976 2.022) 17.674 20.642 ( 5.535 -7.156 12.160) 15.157 20.642 ( 5.535 7.156 12.160) 15.157 20.773 ( -7.010 -6.590 11.027) 14.635 20.773 ( -7.010 6.590 11.027) 14.635 21.231 ( 7.017 -4.901 -4.813) 9.820 21.231 ( 7.017 4.901 -4.813) 9.820 21.375 ( -6.784 -4.033 -5.659) 9.711 21.375 ( -6.784 4.033 -5.659) 9.711 22.018 ( 9.751 -10.072 0.096) 14.019 22.018 ( 9.751 10.072 0.096) 14.019 22.257 ( -13.167 -12.704 2.316) 18.443 22.257 ( -13.167 12.704 2.316) 18.443 22.963 ( 3.873 -4.702 5.822) 8.427 22.963 ( 3.873 4.702 5.822) 8.427 23.073 ( -5.850 -4.379 4.213) 8.435 23.073 ( -5.850 4.379 4.213) 8.435 24.071 ( 9.728 -8.018 5.103) 13.600 24.071 ( 9.728 8.018 5.103) 13.600 24.194 ( -1.187 -7.735 4.165) 8.865 24.194 ( -1.187 7.735 4.165) 8.865 24.663 ( 0.713 -9.546 8.194) 12.601 24.663 ( 0.713 9.546 8.194) 12.601 24.701 ( -2.160 -11.239 8.569) 14.298 24.701 ( -2.160 11.239 8.569) 14.298 26.172 ( 4.085 -8.953 -2.561) 10.169 26.172 ( 4.085 8.953 -2.561) 10.169 26.262 ( -4.401 -8.641 -5.186) 10.996 26.262 ( -4.401 8.641 -5.186) 10.996 27.689 ( 2.019 -3.378 -1.976) 4.404 27.689 ( 2.019 3.378 -1.976) 4.404 27.745 ( -3.558 -3.286 -1.540) 5.083 27.745 ( -3.558 3.286 -1.540) 5.083 28.257 ( 1.634 -3.984 -0.917) 4.402 28.257 ( 1.634 3.984 -0.917) 4.402 28.310 ( -3.645 -6.020 -0.233) 7.041 28.310 ( -3.645 6.020 -0.233) 7.041 28.796 ( 5.853 -0.870 11.803) 13.203 28.796 ( 5.853 0.870 11.803) 13.203 28.900 ( -4.135 -1.626 10.735) 11.619 28.900 ( -4.135 1.626 10.735) 11.619 29.286 ( 5.778 -3.254 -2.203) 6.988 29.286 ( 5.778 3.254 -2.203) 6.988 29.377 ( -2.488 -6.051 -5.267) 8.399 29.377 ( -2.488 6.051 -5.267) 8.399 29.979 ( 1.884 -3.258 15.179) 15.639 29.979 ( 1.884 3.258 15.179) 15.639 30.056 ( -5.393 -3.805 18.784) 19.910 30.056 ( -5.393 3.805 18.784) 19.910 30.982 ( 14.278 -8.030 -10.960) 19.709 30.982 ( 14.278 8.030 -10.960) 19.709 31.263 ( -12.558 -9.059 -14.970) 21.538 31.263 ( -12.558 9.059 -14.970) 21.538 ======================= Grid point 125 (46/54) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.000 0.000 1.811) 1.811 1.908 ( 0.000 0.000 -4.568) 4.568 1.946 ( 0.000 0.000 2.306) 2.306 1.995 ( 0.000 0.000 -3.042) 3.042 2.257 ( 0.000 0.000 0.581) 0.581 2.274 ( 0.000 0.000 0.242) 0.242 2.295 ( 0.000 0.000 1.000) 1.000 2.308 ( 0.000 0.000 -2.055) 2.055 2.548 ( 0.000 0.000 1.553) 1.553 2.582 ( 0.000 0.000 -1.375) 1.375 3.100 ( 0.000 0.000 7.184) 7.184 3.188 ( 0.000 0.000 -1.689) 1.689 3.664 ( 0.000 0.000 18.192) 18.192 3.751 ( 0.000 0.000 -2.807) 2.807 3.760 ( 0.000 0.000 -3.281) 3.281 3.964 ( 0.000 0.000 -12.272) 12.272 4.416 ( 0.000 0.000 19.865) 19.865 4.675 ( 0.000 0.000 3.105) 3.105 4.727 ( 0.000 0.000 -1.523) 1.523 4.802 ( 0.000 0.000 -19.060) 19.060 5.041 ( 0.000 0.000 0.880) 0.880 5.054 ( 0.000 0.000 -1.129) 1.129 5.318 ( 0.000 0.000 7.855) 7.855 5.358 ( 0.000 0.000 2.659) 2.659 5.609 ( 0.000 0.000 9.053) 9.053 5.668 ( 0.000 0.000 2.715) 2.715 5.805 ( 0.000 0.000 9.763) 9.763 6.004 ( 0.000 0.000 6.636) 6.636 6.057 ( 0.000 0.000 -12.859) 12.859 6.182 ( 0.000 0.000 -9.322) 9.322 6.667 ( 0.000 0.000 8.549) 8.549 6.674 ( 0.000 0.000 12.442) 12.442 6.816 ( 0.000 0.000 -1.643) 1.643 6.817 ( 0.000 0.000 -6.041) 6.041 7.498 ( 0.000 0.000 15.629) 15.629 7.596 ( 0.000 0.000 3.638) 3.638 7.852 ( 0.000 0.000 5.166) 5.166 7.894 ( 0.000 0.000 1.275) 1.275 8.007 ( 0.000 0.000 7.747) 7.747 8.263 ( 0.000 0.000 -10.019) 10.019 8.861 ( 0.000 0.000 22.958) 22.958 8.870 ( 0.000 0.000 3.894) 3.894 9.085 ( 0.000 0.000 -11.943) 11.943 9.101 ( 0.000 0.000 7.761) 7.761 9.142 ( 0.000 0.000 -0.840) 0.840 9.245 ( 0.000 0.000 -6.367) 6.367 9.422 ( 0.000 0.000 0.920) 0.920 9.512 ( 0.000 0.000 12.416) 12.416 9.658 ( 0.000 0.000 -2.652) 2.652 9.817 ( 0.000 0.000 -3.219) 3.219 10.000 ( 0.000 0.000 4.000) 4.000 10.018 ( 0.000 0.000 1.267) 1.267 10.107 ( 0.000 0.000 -5.846) 5.846 10.214 ( 0.000 0.000 -14.581) 14.581 10.775 ( 0.000 0.000 11.824) 11.824 10.992 ( 0.000 0.000 -7.025) 7.025 11.094 ( 0.000 0.000 -0.551) 0.551 11.097 ( 0.000 0.000 2.832) 2.832 11.285 ( 0.000 0.000 1.519) 1.519 11.473 ( 0.000 0.000 -14.873) 14.873 11.567 ( 0.000 0.000 -10.874) 10.874 11.591 ( 0.000 0.000 -15.629) 15.629 12.429 ( 0.000 0.000 15.158) 15.158 12.594 ( 0.000 0.000 -0.447) 0.447 12.752 ( 0.000 0.000 3.830) 3.830 12.769 ( 0.000 0.000 2.245) 2.245 12.772 ( 0.000 0.000 -8.575) 8.575 12.784 ( 0.000 0.000 -14.076) 14.076 12.911 ( 0.000 0.000 4.153) 4.153 13.026 ( 0.000 0.000 -3.540) 3.540 13.098 ( 0.000 0.000 5.102) 5.102 13.201 ( 0.000 0.000 -4.427) 4.427 13.291 ( 0.000 0.000 -4.037) 4.037 13.358 ( 0.000 0.000 -10.044) 10.044 14.146 ( 0.000 0.000 10.619) 10.619 14.456 ( 0.000 0.000 -20.761) 20.761 14.576 ( 0.000 0.000 -2.194) 2.194 14.577 ( 0.000 0.000 -3.955) 3.955 14.682 ( 0.000 0.000 12.357) 12.357 14.921 ( 0.000 0.000 -11.861) 11.861 15.497 ( 0.000 0.000 17.423) 17.423 15.669 ( 0.000 0.000 21.148) 21.148 15.939 ( 0.000 0.000 -26.548) 26.548 16.185 ( 0.000 0.000 -31.299) 31.299 16.537 ( 0.000 0.000 17.178) 17.178 16.853 ( 0.000 0.000 -15.133) 15.133 17.364 ( 0.000 0.000 14.207) 14.207 17.595 ( 0.000 0.000 -8.215) 8.215 18.666 ( 0.000 0.000 -1.136) 1.136 18.722 ( 0.000 0.000 -5.437) 5.437 19.772 ( 0.000 0.000 0.824) 0.824 19.787 ( 0.000 0.000 -0.982) 0.982 20.501 ( 0.000 0.000 10.650) 10.650 20.675 ( 0.000 0.000 -7.312) 7.312 21.035 ( 0.000 0.000 8.897) 8.897 21.055 ( 0.000 0.000 8.691) 8.691 21.178 ( 0.000 0.000 -5.918) 5.918 21.218 ( 0.000 0.000 -6.825) 6.825 21.474 ( 0.000 0.000 4.888) 4.888 21.533 ( 0.000 0.000 -0.425) 0.425 21.539 ( 0.000 0.000 0.130) 0.130 21.583 ( 0.000 0.000 -6.392) 6.392 22.684 ( 0.000 0.000 14.670) 14.670 22.861 ( 0.000 0.000 -2.217) 2.217 23.180 ( 0.000 0.000 6.647) 6.647 23.230 ( 0.000 0.000 0.854) 0.854 23.265 ( 0.000 0.000 1.357) 1.357 23.308 ( 0.000 0.000 -3.654) 3.654 23.487 ( 0.000 0.000 4.831) 4.831 23.584 ( 0.000 0.000 -5.117) 5.117 24.393 ( 0.000 0.000 3.074) 3.074 24.423 ( 0.000 0.000 0.815) 0.815 24.444 ( 0.000 0.000 2.997) 2.997 24.452 ( 0.000 0.000 1.805) 1.805 25.092 ( 0.000 0.000 5.562) 5.562 25.155 ( 0.000 0.000 -0.254) 0.254 25.778 ( 0.000 0.000 2.554) 2.554 25.849 ( 0.000 0.000 -4.282) 4.282 26.479 ( 0.000 0.000 0.906) 0.906 26.512 ( 0.000 0.000 -2.512) 2.512 27.446 ( 0.000 0.000 6.997) 6.997 27.658 ( 0.000 0.000 -14.157) 14.157 27.951 ( 0.000 0.000 2.710) 2.710 28.004 ( 0.000 0.000 -2.756) 2.756 28.047 ( 0.000 0.000 0.431) 0.431 28.055 ( 0.000 0.000 -0.286) 0.286 28.325 ( 0.000 0.000 11.795) 11.795 28.540 ( 0.000 0.000 -9.918) 9.918 28.831 ( 0.000 0.000 7.710) 7.710 28.944 ( 0.000 0.000 -2.585) 2.585 29.020 ( 0.000 0.000 15.553) 15.553 29.072 ( 0.000 0.000 2.001) 2.001 29.108 ( 0.000 0.000 -0.825) 0.825 29.152 ( 0.000 0.000 1.722) 1.722 29.255 ( 0.000 0.000 2.048) 2.048 29.424 ( 0.000 0.000 -14.433) 14.433 30.083 ( 0.000 0.000 9.518) 9.518 30.240 ( 0.000 0.000 -6.174) 6.174 30.310 ( 0.000 0.000 10.608) 10.608 30.511 ( 0.000 0.000 -9.587) 9.587 30.553 ( 0.000 0.000 20.780) 20.780 30.885 ( 0.000 0.000 23.624) 23.624 30.933 ( 0.000 0.000 -17.778) 17.778 31.348 ( 0.000 0.000 -23.478) 23.478 ======================= Grid point 126 (47/54) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.767 0.000 1.757) 1.918 1.911 ( 0.104 0.000 -3.455) 3.456 1.941 ( -0.349 0.000 1.421) 1.464 1.988 ( -0.688 0.000 -3.157) 3.231 2.231 ( -1.382 0.000 0.608) 1.510 2.238 ( -1.708 0.000 0.474) 1.773 2.313 ( 1.549 0.000 2.363) 2.825 2.356 ( 1.380 0.000 -2.418) 2.784 2.586 ( 4.371 0.000 2.096) 4.847 2.632 ( 4.517 0.000 -2.297) 5.067 3.047 ( -4.990 0.000 5.880) 7.712 3.118 ( -6.584 0.000 -1.325) 6.716 3.725 ( 5.444 0.000 15.434) 16.366 3.843 ( 8.536 0.000 -1.141) 8.612 3.876 ( 9.682 0.000 -4.756) 10.787 3.964 ( -0.020 0.000 -8.852) 8.852 4.360 ( -4.502 0.000 15.125) 15.781 4.666 ( -10.577 0.000 -16.066) 19.234 4.743 ( 7.387 0.000 6.400) 9.774 4.856 ( 9.440 0.000 -4.245) 10.350 5.045 ( 0.987 0.000 3.837) 3.961 5.086 ( 2.200 0.000 -0.827) 2.351 5.270 ( -0.828 0.000 4.833) 4.904 5.323 ( -3.806 0.000 -1.380) 4.049 5.663 ( 0.702 0.000 11.065) 11.087 5.787 ( 6.924 0.000 0.233) 6.928 5.973 ( 13.452 0.000 15.538) 20.552 6.111 ( 9.944 0.000 -0.298) 9.948 6.126 ( 3.537 0.000 -2.483) 4.322 6.220 ( 13.073 0.000 -3.717) 13.591 6.348 ( -21.455 0.000 11.068) 24.142 6.666 ( -13.669 0.000 -13.440) 19.169 6.762 ( 6.294 0.000 4.068) 7.494 6.837 ( 0.472 0.000 -2.741) 2.782 7.364 ( -12.622 0.000 13.324) 18.354 7.491 ( -10.776 0.000 -0.083) 10.776 7.706 ( -11.901 0.000 6.375) 13.501 7.778 ( -10.838 0.000 -0.531) 10.851 8.225 ( 18.990 0.000 11.831) 22.374 8.478 ( 13.941 0.000 -5.949) 15.158 8.822 ( -4.626 0.000 3.719) 5.936 8.875 ( 0.804 0.000 18.825) 18.842 8.899 ( -9.394 0.000 -1.060) 9.453 9.092 ( -4.722 0.000 -0.189) 4.725 9.132 ( -1.799 0.000 5.561) 5.845 9.321 ( 6.488 0.000 -8.754) 10.896 9.403 ( -1.123 0.000 6.036) 6.139 9.478 ( -3.066 0.000 11.192) 11.604 9.690 ( 1.562 0.000 2.817) 3.221 9.878 ( 6.158 0.000 -5.891) 8.522 9.896 ( -8.834 0.000 4.382) 9.861 10.028 ( 0.418 0.000 -5.427) 5.443 10.066 ( -4.992 0.000 -4.134) 6.481 10.206 ( -0.417 0.000 -15.796) 15.802 10.499 ( -13.561 0.000 9.919) 16.802 10.788 ( -14.559 0.000 -17.272) 22.590 11.051 ( -0.953 0.000 2.758) 2.918 11.136 ( 0.792 0.000 -3.799) 3.881 11.605 ( 22.913 0.000 6.771) 23.892 11.636 ( 5.125 0.000 -7.587) 9.156 11.690 ( 9.079 0.000 -10.348) 13.766 11.773 ( 19.958 0.000 -10.293) 22.456 12.366 ( -5.576 0.000 12.532) 13.716 12.570 ( -6.243 0.000 -5.688) 8.445 12.637 ( -8.959 0.000 5.502) 10.513 12.695 ( -8.277 0.000 -0.705) 8.307 12.709 ( -0.254 0.000 -3.088) 3.098 12.825 ( 1.823 0.000 -12.986) 13.113 12.898 ( -0.910 0.000 2.573) 2.730 12.992 ( -2.596 0.000 -4.656) 5.331 13.124 ( 2.767 0.000 6.939) 7.470 13.227 ( 1.693 0.000 -4.117) 4.452 13.343 ( 4.977 0.000 -4.091) 6.443 13.425 ( 5.347 0.000 -11.418) 12.608 14.115 ( -2.424 0.000 10.425) 10.703 14.405 ( -6.517 0.000 -13.623) 15.102 14.519 ( -9.339 0.000 7.913) 12.240 14.562 ( -1.205 0.000 -4.195) 4.365 14.565 ( -1.193 0.000 -3.483) 3.681 14.800 ( -10.656 0.000 -15.815) 19.070 15.612 ( 10.778 0.000 19.307) 22.112 15.927 ( 21.381 0.000 19.399) 28.870 16.055 ( 9.993 0.000 -24.586) 26.539 16.387 ( 17.394 0.000 -27.782) 32.778 16.463 ( -6.828 0.000 16.741) 18.080 16.795 ( -5.720 0.000 -16.548) 17.509 17.212 ( -13.358 0.000 15.065) 20.134 17.496 ( -10.063 0.000 -13.262) 16.647 18.743 ( 9.549 0.000 6.028) 11.293 18.897 ( 13.459 0.000 -9.089) 16.240 19.647 ( -10.075 0.000 5.007) 11.251 19.743 ( -6.170 0.000 -4.858) 7.853 20.543 ( 3.953 0.000 10.751) 11.455 20.713 ( 3.117 0.000 -6.177) 6.919 21.023 ( -2.660 0.000 7.869) 8.307 21.049 ( 1.524 0.000 9.695) 9.814 21.185 ( -3.220 0.000 -7.434) 8.102 21.195 ( 1.125 0.000 -4.336) 4.479 21.434 ( -3.249 0.000 3.539) 4.805 21.528 ( 2.270 0.000 5.482) 5.933 21.551 ( -3.076 0.000 -7.444) 8.054 21.631 ( 6.270 0.000 -4.693) 7.832 22.399 ( -18.801 0.000 13.355) 23.062 22.615 ( -18.363 0.000 -7.858) 19.973 23.154 ( -1.368 0.000 5.666) 5.829 23.199 ( -1.893 0.000 0.870) 2.083 23.442 ( -3.904 0.000 4.510) 5.965 23.480 ( 16.782 0.000 6.495) 17.995 23.536 ( -4.850 0.000 -4.889) 6.887 23.572 ( 15.515 0.000 -2.425) 15.703 24.415 ( -2.780 0.000 2.690) 3.869 24.419 ( -3.028 0.000 2.045) 3.654 24.462 ( 6.666 0.000 5.324) 8.532 24.523 ( 7.252 0.000 -0.417) 7.264 25.097 ( 0.485 0.000 5.762) 5.782 25.161 ( 0.205 0.000 -0.351) 0.407 25.796 ( 1.656 0.000 1.877) 2.503 25.855 ( 0.456 0.000 -3.770) 3.797 26.464 ( -1.310 0.000 0.684) 1.478 26.491 ( -1.872 0.000 -2.133) 2.838 27.471 ( 2.445 0.000 6.235) 6.697 27.659 ( -0.058 0.000 -12.375) 12.375 27.946 ( -0.373 0.000 2.328) 2.358 27.970 ( -5.762 0.000 1.766) 6.026 27.984 ( -1.577 0.000 -1.409) 2.115 28.014 ( -4.102 0.000 -2.651) 4.884 28.352 ( 2.215 0.000 8.914) 9.185 28.506 ( -2.687 0.000 -6.014) 6.587 28.883 ( 4.038 0.000 5.524) 6.842 28.966 ( 2.199 0.000 -1.361) 2.586 29.065 ( -0.519 0.000 2.029) 2.094 29.079 ( 4.546 0.000 15.984) 16.618 29.115 ( 0.386 0.000 -2.111) 2.146 29.184 ( 2.073 0.000 5.124) 5.527 29.288 ( 3.272 0.000 -1.783) 3.726 29.420 ( -0.191 0.000 -14.363) 14.364 30.095 ( 1.378 0.000 11.194) 11.279 30.258 ( 0.810 0.000 -2.707) 2.826 30.323 ( 1.571 0.000 12.613) 12.711 30.535 ( 1.296 0.000 -6.083) 6.219 30.546 ( 0.147 0.000 14.782) 14.783 30.868 ( -0.536 0.000 17.008) 17.017 30.881 ( -4.934 0.000 -16.809) 17.518 31.283 ( -6.113 0.000 -22.499) 23.314 ======================= Grid point 127 (48/54) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.259 0.000 1.626) 2.056 1.902 ( -1.043 0.000 0.667) 1.238 1.944 ( 0.849 0.000 -2.392) 2.538 1.968 ( -1.214 0.000 -3.218) 3.440 2.214 ( -0.156 0.000 1.389) 1.397 2.219 ( -0.539 0.000 0.955) 1.097 2.337 ( 0.993 0.000 1.591) 1.876 2.357 ( -0.806 0.000 -0.441) 0.919 2.721 ( 8.069 0.000 1.221) 8.160 2.755 ( 6.928 0.000 -2.042) 7.223 2.913 ( -7.393 0.000 3.219) 8.063 2.948 ( -8.979 0.000 -0.535) 8.995 3.854 ( 6.238 0.000 8.168) 10.277 3.946 ( -2.461 0.000 -1.138) 2.711 4.032 ( 8.292 0.000 0.166) 8.294 4.084 ( 7.225 0.000 -4.789) 8.668 4.279 ( -0.743 0.000 5.753) 5.801 4.435 ( -11.555 0.000 -9.793) 15.147 4.932 ( 8.295 0.000 4.086) 9.247 4.991 ( 2.533 0.000 -2.696) 3.700 5.089 ( 3.106 0.000 5.782) 6.563 5.126 ( 0.559 0.000 2.328) 2.394 5.254 ( 1.796 0.000 6.428) 6.675 5.343 ( 1.034 0.000 0.632) 1.212 5.647 ( 0.762 0.000 5.148) 5.204 5.742 ( -7.158 0.000 -3.314) 7.888 5.918 ( -7.111 0.000 13.727) 15.460 6.076 ( -13.315 0.000 -0.035) 13.315 6.379 ( 19.990 0.000 7.390) 21.312 6.497 ( 20.381 0.000 -5.116) 21.014 6.603 ( 20.084 0.000 0.277) 20.086 6.633 ( 17.460 0.000 -4.574) 18.049 6.739 ( -12.091 0.000 4.342) 12.846 6.796 ( -6.000 0.000 -2.050) 6.340 7.042 ( -17.684 0.000 7.832) 19.341 7.145 ( -22.129 0.000 -4.022) 22.491 7.497 ( -5.444 0.000 4.438) 7.024 7.539 ( -9.288 0.000 0.473) 9.300 8.562 ( 10.056 0.000 4.168) 10.886 8.647 ( 0.760 0.000 -1.443) 1.631 8.755 ( -0.255 0.000 1.177) 1.204 8.771 ( -2.257 0.000 0.708) 2.365 8.893 ( 1.760 0.000 10.595) 10.740 8.973 ( -5.898 0.000 3.174) 6.698 9.160 ( 7.043 0.000 20.521) 21.696 9.356 ( -6.959 0.000 9.599) 11.856 9.391 ( 0.104 0.000 10.054) 10.054 9.415 ( -2.384 0.000 10.758) 11.019 9.737 ( 4.077 0.000 11.212) 11.930 9.815 ( 4.657 0.000 -11.503) 12.410 9.870 ( -8.294 0.000 12.849) 15.293 9.970 ( -6.654 0.000 -17.500) 18.722 10.064 ( 6.874 0.000 -17.800) 19.081 10.174 ( -3.448 0.000 -17.100) 17.444 10.396 ( 2.400 0.000 -3.796) 4.491 10.531 ( -10.056 0.000 -15.546) 18.515 11.067 ( 2.404 0.000 1.782) 2.992 11.122 ( -2.146 0.000 -3.238) 3.885 11.774 ( 7.361 0.000 1.121) 7.446 11.842 ( 3.093 0.000 -4.190) 5.208 12.050 ( 19.678 0.000 5.873) 20.536 12.154 ( 16.440 0.000 -4.754) 17.114 12.261 ( -2.048 0.000 3.082) 3.700 12.360 ( -10.385 0.000 -5.141) 11.588 12.406 ( -13.638 0.000 4.961) 14.513 12.468 ( -13.138 0.000 -1.454) 13.218 12.780 ( 4.516 0.000 -4.814) 6.601 12.838 ( -0.931 0.000 -9.308) 9.355 12.893 ( 0.927 0.000 -0.694) 1.158 12.937 ( -2.791 0.000 -5.839) 6.471 13.193 ( 3.417 0.000 4.986) 6.045 13.240 ( -0.829 0.000 -0.217) 0.857 13.466 ( 5.739 0.000 -7.282) 9.272 13.514 ( 1.794 0.000 -11.668) 11.805 14.089 ( 1.145 0.000 10.998) 11.057 14.199 ( -9.541 0.000 10.472) 14.167 14.454 ( 1.524 0.000 -15.653) 15.727 14.537 ( -0.753 0.000 -4.104) 4.173 14.540 ( -0.930 0.000 -4.338) 4.437 14.573 ( -9.741 0.000 -17.693) 20.197 15.892 ( 15.280 0.000 20.043) 25.204 16.165 ( -7.896 0.000 9.871) 12.641 16.396 ( 8.199 0.000 -13.740) 16.001 16.409 ( 24.048 0.000 17.047) 29.478 16.624 ( -10.760 0.000 -19.465) 22.241 16.794 ( 19.122 0.000 -20.304) 27.891 16.869 ( -18.089 0.000 13.282) 22.442 17.203 ( -17.865 0.000 -18.705) 25.866 19.020 ( 16.057 0.000 9.098) 18.456 19.194 ( 12.406 0.000 -8.094) 14.813 19.394 ( -11.939 0.000 7.054) 13.867 19.541 ( -13.055 0.000 -7.467) 15.040 20.649 ( 5.944 0.000 9.887) 11.536 20.744 ( -1.839 0.000 2.849) 3.391 20.999 ( 2.025 0.000 -0.517) 2.090 21.092 ( -5.517 0.000 -7.067) 8.966 21.102 ( 3.718 0.000 10.063) 10.728 21.183 ( -3.095 0.000 5.327) 6.161 21.400 ( 1.283 0.000 -5.288) 5.442 21.469 ( -4.465 0.000 -8.819) 9.885 21.631 ( 7.460 0.000 8.586) 11.374 21.743 ( 1.136 0.000 -0.740) 1.355 22.107 ( -5.143 0.000 4.813) 7.044 22.256 ( -15.184 0.000 -8.164) 17.240 23.160 ( 1.833 0.000 4.103) 4.493 23.186 ( 0.049 0.000 1.767) 1.768 23.364 ( -2.091 0.000 1.952) 2.861 23.413 ( -5.899 0.000 -2.702) 6.488 23.775 ( 10.053 0.000 5.230) 11.332 23.815 ( 6.480 0.000 1.382) 6.626 24.344 ( -2.940 0.000 2.226) 3.687 24.349 ( -3.091 0.000 1.999) 3.681 24.603 ( 5.526 0.000 4.892) 7.380 24.638 ( 2.571 0.000 1.579) 3.017 25.115 ( 1.444 0.000 4.119) 4.365 25.149 ( -1.430 0.000 0.884) 1.681 25.835 ( 1.820 0.000 0.034) 1.820 25.859 ( -0.356 0.000 -2.209) 2.237 26.441 ( -0.541 0.000 -0.038) 0.543 26.451 ( -1.543 0.000 -1.154) 1.927 27.544 ( 4.568 0.000 3.339) 5.659 27.633 ( -3.159 0.000 -4.591) 5.573 27.882 ( -1.276 0.000 -1.386) 1.884 27.921 ( -4.161 0.000 -4.488) 6.120 27.942 ( 0.122 0.000 1.478) 1.483 27.954 ( -1.111 0.000 0.316) 1.155 28.400 ( 2.369 0.000 3.790) 4.469 28.450 ( -2.635 0.000 -0.993) 2.816 28.959 ( 3.122 0.000 5.284) 6.137 29.001 ( -0.355 0.000 3.937) 3.953 29.071 ( 1.894 0.000 -2.636) 3.246 29.110 ( -1.149 0.000 -3.716) 3.889 29.159 ( 2.984 0.000 14.188) 14.499 29.199 ( -0.801 0.000 10.116) 10.148 29.371 ( 3.862 0.000 -7.522) 8.455 29.416 ( -0.656 0.000 -12.152) 12.169 30.148 ( 3.786 0.000 13.258) 13.788 30.231 ( -3.514 0.000 9.436) 10.069 30.388 ( 4.900 0.000 15.450) 16.209 30.501 ( -4.879 0.000 10.480) 11.560 30.603 ( 5.693 0.000 -2.914) 6.395 30.748 ( -7.576 0.000 -13.068) 15.105 30.932 ( 7.233 0.000 -6.116) 9.472 31.116 ( -9.587 0.000 -18.469) 20.809 ======================= Grid point 130 (49/54) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 1.259 0.810) 1.497 1.896 ( 0.000 -0.712 -2.909) 2.995 1.946 ( 0.000 0.045 1.901) 1.901 1.980 ( 0.000 -1.107 -1.729) 2.053 2.282 ( 0.000 1.199 1.724) 2.100 2.296 ( 0.000 0.635 1.769) 1.879 2.325 ( 0.000 2.761 -1.287) 3.046 2.328 ( 0.000 2.453 -3.292) 4.106 2.535 ( 0.000 -1.071 1.227) 1.629 2.559 ( 0.000 -1.940 -0.815) 2.105 3.116 ( 0.000 1.323 5.800) 5.949 3.176 ( 0.000 -0.991 -0.095) 0.995 3.805 ( 0.000 11.532 12.156) 16.756 3.846 ( 0.000 8.965 0.576) 8.983 3.859 ( 0.000 8.785 -2.986) 9.279 4.050 ( 0.000 6.436 -9.929) 11.833 4.478 ( 0.000 -14.697 3.419) 15.090 4.506 ( 0.000 -16.105 -0.691) 16.120 4.513 ( 0.000 7.338 14.549) 16.295 4.758 ( 0.000 -3.497 -6.347) 7.247 4.972 ( 0.000 -7.852 4.243) 8.925 5.052 ( 0.000 -1.545 -3.381) 3.717 5.102 ( 0.000 -11.922 3.248) 12.356 5.170 ( 0.000 -16.019 -5.393) 16.903 5.526 ( 0.000 4.888 8.965) 10.211 5.682 ( 0.000 3.578 -3.638) 5.102 5.918 ( 0.000 -1.618 9.393) 9.532 6.066 ( 0.000 -2.781 -3.115) 4.176 6.349 ( 0.000 22.415 8.428) 23.947 6.437 ( 0.000 -3.734 9.767) 10.456 6.529 ( 0.000 22.778 -8.939) 24.469 6.614 ( 0.000 -7.797 -4.847) 9.181 6.854 ( 0.000 10.092 13.792) 17.090 7.071 ( 0.000 11.448 -5.030) 12.504 7.505 ( 0.000 -1.524 8.573) 8.707 7.526 ( 0.000 -11.670 7.446) 13.844 7.719 ( 0.000 -4.040 6.056) 7.280 7.811 ( 0.000 -6.699 -2.085) 7.016 8.022 ( 0.000 -1.430 1.136) 1.827 8.121 ( 0.000 -12.578 -8.834) 15.371 8.751 ( 0.000 -6.874 16.019) 17.432 8.814 ( 0.000 -2.295 4.352) 4.920 8.863 ( 0.000 -7.622 14.298) 16.203 8.987 ( 0.000 -6.383 -1.600) 6.580 9.208 ( 0.000 0.008 -6.561) 6.561 9.232 ( 0.000 0.375 -6.973) 6.984 9.557 ( 0.000 -1.205 15.119) 15.167 9.679 ( 0.000 2.978 -0.273) 2.990 9.779 ( 0.000 8.344 2.537) 8.721 9.829 ( 0.000 15.285 -3.348) 15.648 10.140 ( 0.000 6.761 0.534) 6.782 10.206 ( 0.000 16.723 -0.447) 16.729 10.224 ( 0.000 12.030 -3.216) 12.453 10.290 ( 0.000 5.769 -11.980) 13.297 10.599 ( 0.000 -11.202 6.101) 12.756 10.703 ( 0.000 -14.563 -3.542) 14.988 11.060 ( 0.000 -4.715 0.942) 4.808 11.163 ( 0.000 -0.756 -3.537) 3.616 11.332 ( 0.000 -2.153 -5.660) 6.056 11.410 ( 0.000 -4.603 -10.593) 11.550 11.766 ( 0.000 14.279 -7.265) 16.021 11.802 ( 0.000 15.202 -9.037) 17.686 12.335 ( 0.000 -10.682 2.605) 10.995 12.396 ( 0.000 -5.811 5.196) 7.795 12.443 ( 0.000 -7.151 1.170) 7.246 12.653 ( 0.000 -8.375 -12.276) 14.861 12.838 ( 0.000 -3.583 6.234) 7.190 12.860 ( 0.000 -3.120 4.154) 5.195 12.937 ( 0.000 -3.205 -2.013) 3.784 12.994 ( 0.000 -7.162 -7.373) 10.279 13.146 ( 0.000 8.931 4.162) 9.853 13.288 ( 0.000 5.669 -9.541) 11.098 13.307 ( 0.000 4.260 0.038) 4.260 13.438 ( 0.000 4.906 -11.186) 12.215 14.065 ( 0.000 -4.192 5.538) 6.946 14.251 ( 0.000 -10.459 -12.972) 16.664 14.664 ( 0.000 4.012 2.293) 4.621 14.667 ( 0.000 -0.538 10.814) 10.828 14.818 ( 0.000 12.754 -9.495) 15.900 14.920 ( 0.000 1.768 -12.357) 12.483 15.459 ( 0.000 -3.244 19.331) 19.601 15.588 ( 0.000 -6.947 20.089) 21.257 15.959 ( 0.000 1.775 -27.329) 27.386 16.105 ( 0.000 -5.064 -28.152) 28.604 16.705 ( 0.000 12.519 13.377) 18.321 16.954 ( 0.000 7.426 -9.827) 12.317 17.309 ( 0.000 -4.202 11.039) 11.812 17.519 ( 0.000 -6.886 -8.274) 10.765 18.633 ( 0.000 -2.276 -1.874) 2.948 18.671 ( 0.000 -3.765 -4.823) 6.119 19.768 ( 0.000 -0.259 0.755) 0.798 19.778 ( 0.000 -0.671 -0.455) 0.811 20.558 ( 0.000 4.915 9.614) 10.798 20.707 ( 0.000 2.221 -5.478) 5.911 20.962 ( 0.000 -5.198 7.223) 8.899 21.054 ( 0.000 -2.461 2.477) 3.491 21.124 ( 0.000 -1.908 0.568) 1.990 21.219 ( 0.000 -0.993 -1.405) 1.720 21.377 ( 0.000 -2.664 -0.754) 2.768 21.464 ( 0.000 -3.900 -6.686) 7.741 21.725 ( 0.000 10.952 0.640) 10.971 21.730 ( 0.000 9.380 0.376) 9.387 22.762 ( 0.000 6.655 13.231) 14.811 22.911 ( 0.000 4.269 -1.430) 4.503 23.122 ( 0.000 -5.052 7.703) 9.212 23.159 ( 0.000 -5.044 2.673) 5.708 23.230 ( 0.000 -4.784 0.648) 4.828 23.257 ( 0.000 -6.221 -3.350) 7.065 23.586 ( 0.000 9.768 2.684) 10.130 23.647 ( 0.000 7.827 -3.311) 8.499 24.223 ( 0.000 -11.129 1.853) 11.282 24.251 ( 0.000 -10.801 -0.337) 10.806 24.594 ( 0.000 9.587 3.074) 10.068 24.599 ( 0.000 8.699 2.397) 9.023 25.007 ( 0.000 -7.293 4.750) 8.704 25.053 ( 0.000 -8.555 0.596) 8.576 25.885 ( 0.000 9.093 3.174) 9.631 25.971 ( 0.000 10.095 -5.205) 11.358 26.368 ( 0.000 -9.420 2.311) 9.699 26.435 ( 0.000 -7.162 -4.339) 8.373 27.513 ( 0.000 5.239 3.664) 6.393 27.632 ( 0.000 -1.115 -7.479) 7.561 27.893 ( 0.000 -5.072 -0.653) 5.114 27.899 ( 0.000 -3.944 -2.092) 4.465 28.161 ( 0.000 7.406 1.724) 7.604 28.178 ( 0.000 6.684 -0.460) 6.700 28.379 ( 0.000 4.396 8.672) 9.723 28.538 ( 0.000 -0.950 -6.981) 7.046 28.807 ( 0.000 -1.715 8.177) 8.355 28.897 ( 0.000 -4.189 4.467) 6.124 29.028 ( 0.000 1.387 6.498) 6.644 29.086 ( 0.000 1.597 1.827) 2.427 29.119 ( 0.000 0.530 0.041) 0.532 29.133 ( 0.000 -1.283 0.953) 1.598 29.235 ( 0.000 -1.543 0.666) 1.681 29.352 ( 0.000 -6.050 -12.278) 13.688 30.078 ( 0.000 -0.190 7.063) 7.065 30.151 ( 0.000 -4.172 0.896) 4.267 30.412 ( 0.000 5.096 2.827) 5.827 30.489 ( 0.000 -0.134 0.644) 0.658 30.629 ( 0.000 4.483 13.426) 14.155 30.810 ( 0.000 -4.158 16.958) 17.460 31.039 ( 0.000 6.720 -12.615) 14.293 31.304 ( 0.000 -3.969 -22.168) 22.521 ======================= Grid point 131 (50/54) ======================= q-point: ( 0.20 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.550 1.016 0.858) 1.439 1.901 ( 0.491 -0.762 -2.761) 2.906 1.935 ( -0.951 -0.073 1.750) 1.993 1.970 ( -0.959 -1.246 -1.885) 2.455 2.265 ( -0.760 2.156 1.024) 2.505 2.276 ( -1.510 2.424 0.159) 2.860 2.321 ( 0.908 0.955 1.744) 2.186 2.361 ( 0.425 0.339 -2.488) 2.546 2.583 ( 5.215 -0.101 1.570) 5.447 2.618 ( 5.259 -1.171 -1.831) 5.691 3.062 ( -5.122 1.216 4.738) 7.083 3.111 ( -6.147 -0.623 -0.219) 6.182 3.857 ( 3.895 11.343 11.840) 16.853 3.920 ( 7.997 7.500 0.255) 10.966 3.955 ( 7.359 7.422 -4.092) 11.224 4.057 ( 0.780 7.520 -7.124) 10.388 4.429 ( -4.936 2.812 9.431) 11.010 4.535 ( 6.101 -14.467 6.961) 17.175 4.570 ( -1.144 -10.652 -4.760) 11.723 4.666 ( 1.617 -15.069 -3.538) 15.563 4.947 ( -2.582 -3.679 1.006) 4.606 5.001 ( -5.361 -3.296 -3.279) 7.096 5.254 ( 9.274 -3.745 4.657) 11.033 5.328 ( 10.274 -1.897 -2.857) 10.831 5.660 ( 8.918 -0.718 11.716) 14.742 5.815 ( 6.096 2.519 6.752) 9.439 5.848 ( -2.931 -5.110 -2.460) 6.384 5.945 ( -0.586 -5.617 -2.679) 6.250 6.325 ( -7.196 3.088 14.756) 16.705 6.438 ( 7.079 17.472 8.858) 20.829 6.570 ( -0.010 -0.736 -7.500) 7.536 6.644 ( 4.387 12.111 -11.100) 17.004 6.836 ( -0.597 12.122 8.445) 14.786 6.969 ( -8.456 9.075 -3.580) 12.910 7.383 ( -9.120 1.628 8.844) 12.808 7.472 ( -7.355 -3.258 2.487) 8.420 7.642 ( -8.723 -3.953 6.494) 11.571 7.723 ( -9.442 -4.392 -0.258) 10.417 8.114 ( 7.326 -12.904 0.049) 14.839 8.178 ( 4.682 -20.897 -6.433) 22.360 8.733 ( -2.505 -2.200 7.140) 7.880 8.815 ( -1.903 0.437 -0.880) 2.142 8.863 ( 3.222 -6.940 20.031) 21.442 9.007 ( 2.194 0.163 10.417) 10.646 9.185 ( -2.708 -1.541 -3.045) 4.356 9.269 ( 4.323 -1.728 -5.227) 7.000 9.475 ( -6.819 -1.767 14.586) 16.198 9.707 ( -0.652 11.872 5.909) 13.277 9.724 ( -1.609 -8.871 -8.116) 12.130 9.794 ( -4.362 9.871 -2.139) 11.002 9.999 ( -5.498 10.605 7.416) 14.060 10.123 ( -7.792 7.437 3.357) 11.283 10.249 ( -2.444 5.462 -13.644) 14.899 10.312 ( -0.732 11.590 -11.067) 16.042 10.522 ( 0.830 4.663 2.963) 5.587 10.675 ( -1.961 -3.050 -9.761) 10.413 11.083 ( 1.299 -2.236 0.957) 2.758 11.212 ( 0.077 2.338 -8.952) 9.253 11.455 ( 13.849 -7.699 2.778) 16.087 11.576 ( 11.499 -6.126 -9.682) 16.232 11.832 ( 6.187 8.650 -2.522) 10.930 11.893 ( 7.157 7.181 -7.597) 12.669 12.281 ( -7.697 -7.163 7.238) 12.765 12.376 ( -6.510 -9.070 -2.927) 11.541 12.384 ( 0.533 -7.391 5.110) 9.002 12.562 ( -5.269 -6.473 -11.306) 14.053 12.785 ( -5.450 -4.302 4.780) 8.430 12.823 ( -3.052 -3.786 0.303) 4.873 12.992 ( 3.833 2.047 -2.797) 5.168 13.049 ( 4.261 0.097 -7.922) 8.996 13.181 ( 4.355 6.802 5.267) 9.642 13.288 ( 0.397 7.224 -8.185) 10.924 13.343 ( 3.770 0.446 0.229) 3.804 13.481 ( 2.888 3.917 -12.177) 13.114 14.009 ( -4.806 -6.286 7.466) 10.879 14.194 ( -6.087 -12.035 -8.538) 15.962 14.520 ( -8.295 1.784 6.070) 10.432 14.628 ( -3.160 0.823 -1.203) 3.480 14.743 ( -6.872 8.824 -9.493) 14.670 14.830 ( -7.973 3.769 -13.789) 16.368 15.610 ( 13.713 0.378 20.891) 24.992 15.837 ( 20.513 -7.333 18.023) 28.274 16.092 ( 11.398 3.033 -24.788) 27.451 16.267 ( 12.096 -5.487 -19.832) 23.870 16.654 ( -3.125 11.613 8.510) 14.732 16.902 ( -5.126 7.726 -11.016) 14.398 17.161 ( -12.994 -3.712 11.387) 17.671 17.422 ( -9.590 -6.774 -12.884) 17.431 18.727 ( 10.409 -0.762 3.666) 11.062 18.835 ( 13.129 -4.790 -6.912) 15.591 19.649 ( -10.111 0.292 3.805) 10.807 19.715 ( -7.410 -2.240 -2.990) 8.298 20.603 ( 4.147 5.118 9.746) 11.763 20.751 ( 3.735 2.808 -4.801) 6.699 20.972 ( 1.063 -5.454 8.099) 9.822 21.035 ( -1.843 -0.247 4.837) 5.182 21.133 ( 0.761 -3.747 -1.344) 4.053 21.199 ( -1.803 -0.114 -3.162) 3.642 21.339 ( -3.303 -3.519 0.144) 4.829 21.440 ( -2.521 -5.010 -7.009) 8.977 21.718 ( 1.559 11.322 3.966) 12.098 21.795 ( 4.885 9.501 -3.512) 11.246 22.491 ( -18.377 7.670 11.769) 23.131 22.670 ( -18.184 3.864 -5.870) 19.495 23.085 ( -1.762 -5.564 6.230) 8.537 23.139 ( -2.073 -5.073 0.622) 5.515 23.282 ( 0.052 -8.294 3.482) 8.995 23.330 ( 1.169 -9.366 -1.203) 9.515 23.696 ( 10.436 11.607 4.058) 16.128 23.767 ( 10.740 11.496 -2.447) 15.922 24.286 ( 5.467 -9.341 3.840) 11.485 24.335 ( 5.050 -8.188 -0.822) 9.655 24.589 ( -0.348 9.004 3.001) 9.498 24.594 ( 0.319 7.262 2.516) 7.692 25.005 ( -0.093 -7.797 5.081) 9.307 25.056 ( -0.079 -8.883 0.375) 8.891 25.899 ( 1.265 8.778 2.323) 9.168 25.969 ( -0.251 9.565 -4.508) 10.577 26.364 ( -0.289 -8.716 1.684) 8.882 26.418 ( -1.552 -6.876 -3.610) 7.920 27.527 ( 1.352 4.682 3.215) 5.838 27.630 ( -0.242 -0.859 -6.404) 6.466 27.864 ( -2.440 -4.977 0.011) 5.543 27.880 ( -1.830 -4.579 -2.162) 5.385 28.115 ( -3.132 8.516 1.774) 9.246 28.150 ( -2.646 7.489 -1.709) 8.124 28.372 ( -0.332 1.356 6.909) 7.049 28.487 ( -3.882 -2.208 -4.265) 6.175 28.871 ( 4.990 -0.755 6.846) 8.505 28.947 ( 4.278 -2.301 3.656) 6.080 29.067 ( 1.205 0.607 8.499) 8.606 29.090 ( 2.028 1.950 2.138) 3.534 29.128 ( 0.520 0.812 -1.070) 1.441 29.162 ( 1.914 -1.531 4.165) 4.832 29.263 ( 2.675 -1.989 -2.335) 4.069 29.353 ( 0.281 -5.574 -12.648) 13.825 30.106 ( 2.718 0.975 9.327) 9.764 30.193 ( 3.878 -3.356 3.007) 5.945 30.393 ( -1.938 3.923 7.774) 8.921 30.500 ( 0.392 -1.133 0.805) 1.444 30.627 ( 0.247 4.626 9.442) 10.517 30.805 ( 0.393 -3.252 9.949) 10.475 30.980 ( -5.449 6.204 -11.978) 14.548 31.239 ( -6.125 -3.994 -21.302) 22.522 ======================= Grid point 132 (51/54) ======================= q-point: ( 0.40 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 1.069 0.601 1.040) 1.607 1.907 ( -0.889 0.366 0.509) 1.088 1.922 ( 0.684 -1.349 -1.583) 2.189 1.946 ( -1.301 -1.386 -2.164) 2.880 2.257 ( -0.094 2.862 0.845) 2.986 2.259 ( -0.326 3.006 0.842) 3.139 2.335 ( 0.610 -0.324 1.365) 1.530 2.352 ( -0.933 -0.618 -0.346) 1.172 2.732 ( 8.642 0.891 0.942) 8.738 2.757 ( 7.915 0.069 -1.511) 8.058 2.922 ( -8.073 0.724 2.488) 8.479 2.947 ( -9.053 -0.156 -0.220) 9.057 3.945 ( 4.203 8.594 6.230) 11.416 4.011 ( -1.837 6.595 -0.779) 6.890 4.101 ( 7.550 6.694 0.718) 10.116 4.148 ( 4.766 6.173 -3.622) 8.599 4.380 ( 2.106 5.858 3.502) 7.143 4.487 ( -4.331 0.979 -6.729) 8.062 4.648 ( 0.832 -17.312 3.840) 17.753 4.708 ( -4.330 -16.796 -1.633) 17.422 4.948 ( 8.988 -7.802 7.024) 13.820 5.041 ( 14.358 -12.175 -2.000) 18.931 5.255 ( -13.607 -8.681 11.792) 19.989 5.386 ( -13.372 -13.694 -1.045) 19.168 5.600 ( 3.085 17.769 3.586) 18.387 5.678 ( -2.224 16.594 -3.491) 17.103 6.226 ( 23.833 -5.264 10.136) 26.428 6.263 ( 6.369 3.963 7.823) 10.839 6.327 ( 20.720 -2.845 -0.583) 20.923 6.434 ( -8.324 7.084 -3.717) 11.545 6.600 ( -3.749 -6.189 4.293) 8.413 6.672 ( -6.370 -5.869 -1.665) 8.820 6.808 ( -0.034 13.329 6.820) 14.972 6.888 ( 4.339 20.246 -0.507) 20.712 7.148 ( -10.820 9.771 0.142) 14.580 7.249 ( -13.088 9.016 -7.669) 17.646 7.455 ( -5.540 -4.463 6.201) 9.437 7.496 ( -9.318 -4.141 2.756) 10.562 8.214 ( 2.383 -30.252 -2.662) 30.463 8.240 ( 0.332 -29.471 -5.589) 29.998 8.717 ( 1.209 5.660 5.916) 8.276 8.754 ( -2.192 8.267 1.828) 8.745 8.987 ( 7.095 -3.960 17.171) 18.996 9.077 ( 4.482 2.660 17.154) 17.929 9.108 ( -4.633 -0.377 4.996) 6.824 9.223 ( -9.108 1.922 10.859) 14.303 9.460 ( 6.665 -10.849 3.737) 13.270 9.613 ( -7.671 -9.018 -1.461) 11.929 9.749 ( 5.627 4.604 -2.182) 7.591 9.790 ( 3.003 5.271 2.336) 6.500 9.884 ( -5.693 9.170 6.201) 12.448 9.931 ( -9.698 0.847 6.244) 11.566 10.243 ( 2.382 10.309 -19.760) 22.414 10.295 ( -1.570 11.932 -20.509) 23.779 10.574 ( 2.921 12.287 -3.437) 13.088 10.636 ( -2.547 10.559 -8.773) 13.962 11.127 ( 3.494 3.310 -0.079) 4.814 11.196 ( -2.216 5.386 -5.827) 8.239 11.714 ( 10.758 -8.752 2.788) 14.146 11.800 ( 7.099 -8.508 -4.849) 12.095 11.969 ( 5.536 -4.193 2.943) 7.543 12.026 ( 4.768 -8.252 -3.452) 10.136 12.097 ( -6.830 -11.042 2.612) 13.244 12.159 ( -11.818 -8.034 -1.337) 14.353 12.419 ( 1.741 2.138 1.123) 2.977 12.481 ( -3.889 4.167 -4.503) 7.264 12.707 ( -0.509 -8.941 0.114) 8.957 12.749 ( -3.548 -7.562 -2.842) 8.824 13.054 ( 2.829 10.918 -4.170) 12.024 13.099 ( -0.591 11.613 -9.077) 14.751 13.306 ( 6.280 5.951 4.166) 9.602 13.351 ( 3.824 7.228 -0.650) 8.203 13.419 ( 3.511 -3.586 -5.927) 7.766 13.501 ( -2.018 1.230 -10.901) 11.154 13.929 ( -0.862 -11.913 7.986) 14.368 14.020 ( -8.753 -13.131 2.691) 16.009 14.450 ( 1.607 2.959 -5.861) 6.760 14.558 ( -7.117 2.389 -13.635) 15.566 14.608 ( -0.725 2.381 -3.436) 4.243 14.673 ( -6.148 3.568 -10.042) 12.304 15.944 ( 17.254 4.897 20.130) 26.961 16.229 ( -3.992 4.204 8.572) 10.349 16.293 ( 16.965 -6.890 13.181) 22.561 16.403 ( 7.287 0.058 -13.393) 15.247 16.750 ( -4.976 7.146 -10.379) 13.547 16.796 ( 12.907 0.882 -18.528) 22.598 16.843 ( -15.321 -1.003 7.907) 17.270 17.149 ( -16.401 -5.088 -18.201) 25.023 19.017 ( 16.557 0.245 6.586) 17.821 19.142 ( 15.192 -4.174 -6.083) 16.888 19.381 ( -14.664 -0.530 6.006) 15.855 19.487 ( -14.209 -4.244 -4.720) 15.562 20.710 ( 5.851 5.193 9.311) 12.162 20.799 ( -1.169 4.586 2.912) 5.557 21.003 ( 2.213 -4.077 4.947) 6.781 21.019 ( 1.039 -1.905 2.282) 3.149 21.123 ( -1.644 -2.040 3.146) 4.094 21.149 ( -3.574 1.650 -3.502) 5.268 21.296 ( 1.014 -6.556 -3.809) 7.650 21.365 ( -4.406 -6.353 -7.280) 10.619 21.812 ( 7.616 12.505 5.930) 15.797 21.915 ( 3.878 11.457 -3.227) 12.519 22.172 ( -8.559 5.126 6.140) 11.715 22.308 ( -15.647 3.335 -6.405) 17.233 23.091 ( 2.365 -5.225 4.374) 7.213 23.127 ( 0.324 -4.663 1.176) 4.820 23.231 ( -2.423 -9.173 2.422) 9.792 23.273 ( -4.795 -9.589 -1.334) 10.804 23.925 ( 8.922 11.124 4.311) 14.897 23.963 ( 5.730 11.065 0.683) 12.479 24.356 ( 0.537 -2.347 2.623) 3.561 24.371 ( -1.025 -0.840 1.091) 1.716 24.609 ( 2.422 3.582 4.033) 5.913 24.627 ( 1.537 1.854 2.468) 3.448 25.010 ( 0.823 -8.964 3.896) 9.809 25.039 ( -1.527 -9.380 1.185) 9.577 25.931 ( 1.639 8.307 0.089) 8.468 25.958 ( -0.936 8.590 -2.556) 9.011 26.363 ( 0.370 -7.306 0.114) 7.316 26.383 ( -1.549 -6.594 -1.849) 7.021 27.567 ( 2.503 2.979 1.444) 4.150 27.614 ( -1.612 0.555 -2.741) 3.228 27.820 ( -1.062 -5.029 -0.364) 5.153 27.835 ( -2.114 -5.241 -1.825) 5.939 28.075 ( -0.482 9.385 0.292) 9.401 28.095 ( -2.228 8.851 -1.526) 9.254 28.376 ( 0.936 -2.522 2.750) 3.847 28.415 ( -2.831 -3.501 -0.928) 4.597 28.968 ( 4.039 0.959 6.855) 8.014 29.019 ( 0.181 1.379 5.515) 5.688 29.072 ( 2.066 -0.717 3.329) 3.983 29.121 ( -1.436 0.076 0.100) 1.442 29.153 ( 2.469 0.956 5.306) 5.930 29.181 ( -0.221 -0.423 5.325) 5.347 29.326 ( 2.800 -3.698 -6.778) 8.213 29.358 ( -0.297 -4.898 -10.777) 11.842 30.185 ( 4.710 3.065 12.806) 13.985 30.262 ( -0.439 2.188 8.919) 9.194 30.363 ( 2.104 -1.529 15.113) 15.335 30.461 ( -4.596 -3.061 10.195) 11.595 30.675 ( 5.125 5.440 -2.890) 8.013 30.811 ( -5.940 4.868 -13.482) 15.516 30.903 ( 4.946 -2.284 -5.743) 7.916 31.074 ( -9.374 -3.878 -17.487) 20.216 ======================= Grid point 135 (52/54) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.000 -0.615 -0.606) 0.864 1.886 ( 0.000 0.615 -0.606) 0.864 1.954 ( 0.000 -0.989 0.343) 1.047 1.954 ( 0.000 0.989 0.343) 1.047 2.298 ( 0.000 -0.311 1.604) 1.634 2.298 ( 0.000 0.311 1.604) 1.634 2.367 ( 0.000 -0.031 -2.622) 2.622 2.367 ( 0.000 0.031 -2.622) 2.622 2.523 ( 0.000 -0.649 0.479) 0.807 2.523 ( 0.000 0.649 0.479) 0.807 3.149 ( 0.000 -1.529 2.759) 3.154 3.149 ( 0.000 1.529 2.759) 3.154 4.052 ( 0.000 -1.130 0.782) 1.374 4.052 ( 0.000 1.130 0.782) 1.374 4.070 ( 0.000 -9.550 1.846) 9.727 4.070 ( 0.000 9.550 1.846) 9.727 4.206 ( 0.000 -2.751 -1.633) 3.199 4.206 ( 0.000 2.751 -1.633) 3.199 4.670 ( 0.000 -5.025 7.823) 9.298 4.670 ( 0.000 5.025 7.823) 9.298 4.886 ( 0.000 -6.883 1.517) 7.048 4.886 ( 0.000 6.883 1.517) 7.048 5.005 ( 0.000 -0.504 -3.035) 3.076 5.005 ( 0.000 0.504 -3.035) 3.076 5.658 ( 0.000 -5.187 -2.257) 5.657 5.658 ( 0.000 5.187 -2.257) 5.657 5.962 ( 0.000 -4.833 4.619) 6.686 5.962 ( 0.000 4.833 4.619) 6.686 6.387 ( 0.000 -3.212 8.396) 8.990 6.387 ( 0.000 3.212 8.396) 8.990 6.886 ( 0.000 -8.142 2.997) 8.676 6.886 ( 0.000 8.142 2.997) 8.676 7.092 ( 0.000 -11.149 -0.870) 11.183 7.092 ( 0.000 11.149 -0.870) 11.183 7.327 ( 0.000 -9.597 -0.521) 9.611 7.327 ( 0.000 9.597 -0.521) 9.611 7.734 ( 0.000 -0.524 4.214) 4.246 7.734 ( 0.000 0.524 4.214) 4.246 7.940 ( 0.000 -1.071 -1.700) 2.009 7.940 ( 0.000 1.071 -1.700) 2.009 8.714 ( 0.000 -3.151 10.219) 10.694 8.714 ( 0.000 3.151 10.219) 10.694 8.869 ( 0.000 -3.810 5.242) 6.481 8.869 ( 0.000 3.810 5.242) 6.481 9.224 ( 0.000 -0.520 -4.888) 4.916 9.224 ( 0.000 0.520 -4.888) 4.916 9.579 ( 0.000 -4.235 3.976) 5.809 9.579 ( 0.000 4.235 3.976) 5.809 10.002 ( 0.000 -2.945 4.413) 5.306 10.002 ( 0.000 2.945 4.413) 5.306 10.308 ( 0.000 -8.356 2.038) 8.601 10.308 ( 0.000 8.356 2.038) 8.601 10.411 ( 0.000 -3.533 -5.681) 6.690 10.411 ( 0.000 3.533 -5.681) 6.690 10.520 ( 0.000 -0.943 -3.120) 3.260 10.520 ( 0.000 0.943 -3.120) 3.260 11.080 ( 0.000 -12.226 0.061) 12.226 11.080 ( 0.000 12.226 0.061) 12.226 11.234 ( 0.000 -7.679 -12.230) 14.441 11.234 ( 0.000 7.679 -12.230) 14.441 12.006 ( 0.000 -1.975 -2.542) 3.220 12.006 ( 0.000 1.975 -2.542) 3.220 12.289 ( 0.000 -3.591 2.631) 4.452 12.289 ( 0.000 3.591 2.631) 4.452 12.450 ( 0.000 -7.547 -5.869) 9.561 12.450 ( 0.000 7.547 -5.869) 9.561 12.788 ( 0.000 -1.286 -0.951) 1.600 12.788 ( 0.000 1.286 -0.951) 1.600 12.869 ( 0.000 -0.843 -1.441) 1.670 12.869 ( 0.000 0.843 -1.441) 1.670 13.290 ( 0.000 -3.117 4.905) 5.812 13.290 ( 0.000 3.117 4.905) 5.812 13.457 ( 0.000 -4.064 -12.483) 13.128 13.457 ( 0.000 4.064 -12.483) 13.128 14.070 ( 0.000 -5.279 -4.453) 6.906 14.070 ( 0.000 5.279 -4.453) 6.906 14.676 ( 0.000 -1.173 6.241) 6.350 14.676 ( 0.000 1.173 6.241) 6.350 14.983 ( 0.000 -0.225 -12.382) 12.384 14.983 ( 0.000 0.225 -12.382) 12.384 15.439 ( 0.000 -4.105 22.060) 22.439 15.439 ( 0.000 4.105 22.060) 22.439 16.013 ( 0.000 -3.371 -28.079) 28.280 16.013 ( 0.000 3.371 -28.079) 28.280 16.965 ( 0.000 -9.116 10.277) 13.737 16.965 ( 0.000 9.116 10.277) 13.737 17.334 ( 0.000 -8.341 -6.558) 10.611 17.334 ( 0.000 8.341 -6.558) 10.611 18.612 ( 0.000 -0.963 -3.375) 3.510 18.612 ( 0.000 0.963 -3.375) 3.510 19.767 ( 0.000 -0.254 0.359) 0.440 19.767 ( 0.000 0.254 0.359) 0.440 20.683 ( 0.000 -5.411 5.498) 7.714 20.683 ( 0.000 5.411 5.498) 7.714 20.939 ( 0.000 -4.544 -2.352) 5.116 20.939 ( 0.000 4.544 -2.352) 5.116 21.162 ( 0.000 -3.330 6.502) 7.305 21.162 ( 0.000 3.330 6.502) 7.305 21.388 ( 0.000 -2.788 -7.320) 7.833 21.388 ( 0.000 2.788 -7.320) 7.833 21.867 ( 0.000 -0.368 1.151) 1.208 21.867 ( 0.000 0.368 1.151) 1.208 22.930 ( 0.000 -7.195 8.242) 10.941 22.930 ( 0.000 7.195 8.242) 10.941 23.060 ( 0.000 -3.514 3.378) 4.875 23.060 ( 0.000 3.514 3.378) 4.875 23.145 ( 0.000 -0.403 -1.558) 1.609 23.145 ( 0.000 0.403 -1.558) 1.609 23.801 ( 0.000 -3.048 1.184) 3.270 23.801 ( 0.000 3.048 1.184) 3.270 24.038 ( 0.000 -2.457 -1.203) 2.736 24.038 ( 0.000 2.457 -1.203) 2.736 24.794 ( 0.000 -3.492 2.405) 4.240 24.794 ( 0.000 3.492 2.405) 4.240 24.844 ( 0.000 -4.703 2.948) 5.550 24.844 ( 0.000 4.703 2.948) 5.550 26.120 ( 0.000 -11.374 3.753) 11.977 26.120 ( 0.000 11.374 3.753) 11.977 26.225 ( 0.000 -11.074 -6.235) 12.709 26.225 ( 0.000 11.074 -6.235) 12.709 27.610 ( 0.000 -2.425 -1.479) 2.841 27.610 ( 0.000 2.425 -1.479) 2.841 27.833 ( 0.000 -0.564 -1.025) 1.170 27.833 ( 0.000 0.564 -1.025) 1.170 28.265 ( 0.000 -0.285 1.488) 1.515 28.265 ( 0.000 0.285 1.488) 1.515 28.478 ( 0.000 -4.279 -0.467) 4.305 28.478 ( 0.000 4.279 -0.467) 4.305 28.806 ( 0.000 -2.721 9.790) 10.161 28.806 ( 0.000 2.721 9.790) 10.161 29.080 ( 0.000 -2.727 1.428) 3.079 29.080 ( 0.000 2.727 1.428) 3.079 29.134 ( 0.000 -1.263 -1.277) 1.796 29.134 ( 0.000 1.263 -1.277) 1.796 29.228 ( 0.000 -2.975 -4.646) 5.517 29.228 ( 0.000 2.975 -4.646) 5.517 30.090 ( 0.000 -1.549 3.465) 3.795 30.090 ( 0.000 1.549 3.465) 3.795 30.484 ( 0.000 -1.358 1.080) 1.735 30.484 ( 0.000 1.358 1.080) 1.735 30.721 ( 0.000 -4.169 17.043) 17.545 30.721 ( 0.000 4.169 17.043) 17.545 31.187 ( 0.000 -6.608 -18.280) 19.437 31.187 ( 0.000 6.608 -18.280) 19.437 ======================= Grid point 137 (53/54) ======================= q-point: ( 0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.262 -0.671 -0.559) 0.912 1.888 ( 0.262 0.671 -0.559) 0.912 1.944 ( -0.949 -0.961 0.122) 1.356 1.944 ( -0.949 0.961 0.122) 1.356 2.295 ( -0.024 -0.492 1.370) 1.456 2.295 ( -0.024 0.492 1.370) 1.456 2.354 ( -1.084 -1.307 -1.204) 2.082 2.354 ( -1.084 1.307 -1.204) 2.082 2.592 ( 6.170 -1.007 -0.267) 6.257 2.592 ( 6.170 1.007 -0.267) 6.257 3.090 ( -5.518 -1.273 2.176) 6.067 3.090 ( -5.518 1.273 2.176) 6.067 4.109 ( 5.017 -6.854 1.520) 8.629 4.109 ( 5.017 6.854 1.520) 8.629 4.135 ( 4.663 -4.950 0.759) 6.843 4.135 ( 4.663 4.950 0.759) 6.843 4.265 ( 7.047 -6.511 -0.283) 9.599 4.265 ( 7.047 6.511 -0.283) 9.599 4.455 ( -9.930 -0.424 2.540) 10.258 4.455 ( -9.930 0.424 2.540) 10.258 4.976 ( -3.839 -3.649 -0.514) 5.321 4.976 ( -3.839 3.649 -0.514) 5.321 5.208 ( 15.671 -3.220 3.910) 16.469 5.208 ( 15.671 3.220 3.910) 16.469 5.717 ( 6.625 -5.476 0.569) 8.614 5.717 ( 6.625 5.476 0.569) 8.614 5.883 ( -2.597 -2.269 1.148) 3.634 5.883 ( -2.597 2.269 1.148) 3.634 6.410 ( 1.466 -5.702 8.836) 10.618 6.410 ( 1.466 5.702 8.836) 10.618 6.758 ( -9.041 -3.025 -2.470) 9.848 6.758 ( -9.041 3.025 -2.470) 9.848 7.142 ( 1.906 -12.175 10.839) 16.412 7.142 ( 1.906 12.175 10.839) 16.412 7.370 ( 4.059 -16.527 -6.870) 18.353 7.370 ( 4.059 16.527 -6.870) 18.353 7.632 ( -9.894 -1.884 3.529) 10.672 7.632 ( -9.894 1.884 3.529) 10.672 7.875 ( -6.910 -6.670 -4.354) 10.545 7.875 ( -6.910 6.670 -4.354) 10.545 8.751 ( 3.011 -3.267 14.361) 15.032 8.751 ( 3.011 3.267 14.361) 15.032 8.918 ( 5.350 -6.966 0.088) 8.784 8.918 ( 5.350 6.966 0.088) 8.784 9.195 ( -2.312 -3.264 4.634) 6.122 9.195 ( -2.312 3.264 4.634) 6.122 9.547 ( -4.370 -6.840 0.256) 8.121 9.547 ( -4.370 6.840 0.256) 8.121 9.853 ( -8.614 -3.781 1.868) 9.591 9.853 ( -8.614 3.781 1.868) 9.591 10.152 ( -10.593 -3.022 4.355) 11.846 10.152 ( -10.593 3.022 4.355) 11.846 10.520 ( 4.212 -10.831 -4.354) 12.410 10.520 ( 4.212 10.831 -4.354) 12.410 10.569 ( 5.300 -11.384 -9.896) 15.989 10.569 ( 5.300 11.384 -9.896) 15.989 11.165 ( 6.897 -13.271 1.476) 15.029 11.165 ( 6.897 13.271 1.476) 15.029 11.335 ( 7.877 -10.808 -10.181) 16.808 11.335 ( 7.877 10.808 -10.181) 16.808 12.013 ( -0.216 -2.791 -0.177) 2.805 12.013 ( -0.216 2.791 -0.177) 2.805 12.227 ( -8.838 -2.733 4.166) 10.146 12.227 ( -8.838 2.733 4.166) 10.146 12.386 ( 0.418 -6.358 -8.611) 10.713 12.386 ( 0.418 6.358 -8.611) 10.713 12.761 ( -4.990 -1.645 1.561) 5.481 12.761 ( -4.990 1.645 1.561) 5.481 12.980 ( 10.785 -1.579 -4.673) 11.859 12.980 ( 10.785 1.579 -4.673) 11.859 13.318 ( 2.407 -3.559 4.201) 6.009 13.318 ( 2.407 3.559 4.201) 6.009 13.473 ( 1.644 -6.055 -11.610) 13.197 13.473 ( 1.644 6.055 -11.610) 13.197 13.987 ( -8.042 -5.596 -0.844) 9.834 13.987 ( -8.042 5.596 -0.844) 9.834 14.583 ( -5.561 -3.469 1.501) 6.724 14.583 ( -5.561 3.469 1.501) 6.724 14.871 ( -9.395 -2.207 -11.520) 15.028 14.871 ( -9.395 2.207 -11.520) 15.028 15.675 ( 19.179 -6.221 20.363) 28.657 15.675 ( 19.179 6.221 20.363) 28.657 16.169 ( 12.830 -3.990 -24.189) 27.670 16.169 ( 12.830 3.990 -24.189) 27.670 16.894 ( -6.622 -9.215 11.081) 15.861 16.894 ( -6.622 9.215 11.081) 15.861 17.229 ( -9.433 -9.876 -10.909) 17.479 17.229 ( -9.433 9.876 -10.909) 17.479 18.744 ( 12.037 -2.791 -1.737) 12.478 18.744 ( 12.037 2.791 -1.737) 12.478 19.669 ( -9.401 -1.692 0.696) 9.577 19.669 ( -9.401 1.692 0.696) 9.577 20.732 ( 4.515 -5.715 6.208) 9.570 20.732 ( 4.515 5.715 6.208) 9.570 20.948 ( 0.597 -4.670 -1.501) 4.942 20.948 ( 0.597 4.670 -1.501) 4.942 21.148 ( -1.055 -3.385 5.336) 6.407 21.148 ( -1.055 3.385 5.336) 6.407 21.348 ( -3.832 -3.265 -7.290) 8.860 21.348 ( -3.832 3.265 -7.290) 8.860 21.897 ( 3.394 -2.416 0.855) 4.253 21.897 ( 3.394 2.416 0.855) 4.253 22.666 ( -18.265 -6.282 4.322) 19.793 22.666 ( -18.265 6.282 4.322) 19.793 23.027 ( -2.125 -2.920 2.052) 4.154 23.027 ( -2.125 2.920 2.052) 4.154 23.192 ( -0.202 -1.611 1.029) 1.922 23.192 ( -0.202 1.611 1.029) 1.922 23.932 ( 10.835 -4.903 2.591) 12.172 23.932 ( 10.835 4.903 2.591) 12.172 24.139 ( 7.814 -4.451 -0.463) 9.004 24.139 ( 7.814 4.451 -0.463) 9.004 24.780 ( -1.114 -4.137 2.773) 5.104 24.780 ( -1.114 4.137 2.773) 5.104 24.840 ( -0.642 -5.361 2.707) 6.040 24.840 ( -0.642 5.361 2.707) 6.040 26.128 ( 0.724 -10.919 2.786) 11.292 26.128 ( 0.724 10.919 2.786) 11.292 26.213 ( -1.089 -10.642 -5.287) 11.933 26.213 ( -1.089 10.642 -5.287) 11.933 27.620 ( 1.062 -2.184 -1.380) 2.794 27.620 ( 1.062 2.184 -1.380) 2.794 27.801 ( -3.005 -0.773 -0.613) 3.163 27.801 ( -3.005 0.773 -0.613) 3.163 28.246 ( -1.085 -1.326 0.603) 1.816 28.246 ( -1.085 1.326 0.603) 1.816 28.411 ( -5.234 -3.565 0.078) 6.333 28.411 ( -5.234 3.565 0.078) 6.333 28.883 ( 6.179 -2.381 9.099) 11.254 28.883 ( 6.179 2.381 9.099) 11.254 29.102 ( 0.621 -2.210 5.384) 5.853 29.102 ( 0.621 2.210 5.384) 5.853 29.153 ( 2.239 -1.677 -3.107) 4.180 29.153 ( 2.239 1.677 -3.107) 4.180 29.241 ( 1.210 -2.232 -6.313) 6.804 29.241 ( 1.210 2.232 -6.313) 6.804 30.137 ( 4.437 -1.963 5.922) 7.656 30.137 ( 4.437 1.963 5.922) 7.656 30.465 ( -2.174 -2.528 4.546) 5.638 30.465 ( -2.174 2.528 4.546) 5.638 30.725 ( 1.083 -4.275 10.601) 11.481 30.725 ( 1.083 4.275 10.601) 11.481 31.122 ( -6.083 -6.531 -17.770) 19.886 31.122 ( -6.083 6.531 -17.770) 19.886 ======================= Grid point 139 (54/54) ======================= q-point: ( 0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.852 -0.778 -0.449) 1.238 1.899 ( 0.852 0.778 -0.449) 1.238 1.921 ( -1.197 -0.884 -0.232) 1.507 1.921 ( -1.197 0.884 -0.232) 1.507 2.303 ( 0.873 -0.581 0.944) 1.411 2.303 ( 0.873 0.581 0.944) 1.411 2.328 ( -1.382 -0.956 0.181) 1.690 2.328 ( -1.382 0.956 0.181) 1.690 2.751 ( 8.987 -0.705 -0.166) 9.016 2.751 ( 8.987 0.705 -0.166) 9.016 2.939 ( -8.882 -0.695 0.915) 8.956 2.939 ( -8.882 0.695 0.915) 8.956 4.184 ( 2.719 -5.403 1.134) 6.154 4.184 ( 2.719 5.403 1.134) 6.154 4.232 ( 0.240 -3.731 1.637) 4.081 4.232 ( 0.240 3.731 1.637) 4.081 4.349 ( 4.858 -4.041 0.116) 6.320 4.349 ( 4.858 4.041 0.116) 6.320 4.447 ( 2.602 -1.712 -0.809) 3.218 4.447 ( 2.602 1.712 -0.809) 3.218 4.907 ( 3.571 -3.291 2.079) 5.282 4.907 ( 3.571 3.291 2.079) 5.282 5.173 ( -15.621 -4.694 3.920) 16.775 5.173 ( -15.621 4.694 3.920) 16.775 5.965 ( 16.266 -14.230 5.336) 22.261 5.965 ( 16.266 14.230 5.336) 22.261 6.062 ( 11.514 -14.829 -4.019) 19.199 6.062 ( 11.514 14.829 -4.019) 19.199 6.410 ( -0.442 -4.796 9.504) 10.655 6.410 ( -0.442 4.796 9.504) 10.655 6.557 ( -10.896 -4.215 -3.231) 12.121 6.557 ( -10.896 4.215 -3.231) 12.121 7.177 ( 3.793 -11.663 14.188) 18.754 7.177 ( 3.793 11.663 14.188) 18.754 7.365 ( -13.421 -6.834 8.077) 17.090 7.365 ( -13.421 6.834 8.077) 17.090 7.489 ( 6.945 -17.029 -13.222) 22.651 7.489 ( 6.945 17.029 -13.222) 22.651 7.676 ( -10.892 -11.845 -10.474) 19.200 7.676 ( -10.892 11.845 -10.474) 19.200 8.848 ( 6.635 -6.005 16.631) 18.886 8.848 ( 6.635 6.005 16.631) 18.886 8.977 ( -3.504 -8.666 8.006) 12.308 8.977 ( -3.504 8.666 8.006) 12.308 9.210 ( 6.368 -9.616 5.403) 12.736 9.210 ( 6.368 9.616 5.403) 12.736 9.385 ( -9.494 -10.047 -1.492) 13.903 9.385 ( -9.494 10.047 -1.492) 13.903 9.805 ( 3.265 -2.658 0.431) 4.232 9.805 ( 3.265 2.658 0.431) 4.232 9.940 ( -9.251 -1.011 1.302) 9.397 9.940 ( -9.251 1.011 1.302) 9.397 10.598 ( 3.641 -12.556 -6.277) 14.502 10.598 ( 3.641 12.556 -6.277) 14.502 10.640 ( 0.463 -12.128 -10.461) 16.023 10.640 ( 0.463 12.128 -10.461) 16.023 11.330 ( 8.685 -13.559 0.078) 16.102 11.330 ( 8.685 13.559 0.078) 16.102 11.443 ( 0.127 -12.832 -6.186) 14.246 11.443 ( 0.127 12.832 -6.186) 14.246 11.981 ( -1.564 -2.380 2.233) 3.619 11.981 ( -1.564 2.380 2.233) 3.619 12.032 ( -6.966 -5.345 -0.459) 8.793 12.032 ( -6.966 5.345 -0.459) 8.793 12.481 ( 6.930 -3.518 -3.430) 8.495 12.481 ( 6.930 3.518 -3.430) 8.495 12.629 ( -7.263 -2.844 -0.100) 7.801 12.629 ( -7.263 2.844 -0.100) 7.801 13.210 ( 10.077 -2.975 -5.625) 11.918 13.210 ( 10.077 2.975 -5.625) 11.918 13.340 ( -2.116 -2.812 -4.738) 5.902 13.340 ( -2.116 2.812 -4.738) 5.902 13.554 ( 7.528 -6.394 -1.648) 10.014 13.554 ( 7.528 6.394 -1.648) 10.014 13.769 ( -12.124 -5.615 2.303) 13.558 13.769 ( -12.124 5.615 2.303) 13.558 14.543 ( 2.293 -4.190 -5.596) 7.358 14.543 ( 2.293 4.190 -5.596) 7.358 14.668 ( -9.145 -3.206 -9.375) 13.483 14.668 ( -9.145 3.206 -9.375) 13.483 16.094 ( 19.871 -8.598 17.096) 27.588 16.094 ( 19.871 8.598 17.096) 27.588 16.362 ( -1.001 -4.453 -1.846) 4.923 16.362 ( -1.001 4.453 -1.846) 4.923 16.786 ( 1.947 -0.911 -3.734) 4.308 16.786 ( 1.947 0.911 -3.734) 4.308 16.991 ( -13.034 -9.283 -16.362) 22.886 16.991 ( -13.034 9.283 -16.362) 22.886 19.053 ( 17.191 -3.329 0.342) 17.513 19.053 ( 17.191 3.329 0.342) 17.513 19.402 ( -16.041 -2.802 1.022) 16.316 19.402 ( -16.041 2.802 1.022) 16.316 20.843 ( 5.726 -6.066 7.705) 11.355 20.843 ( 5.726 6.066 7.705) 11.355 20.936 ( -2.621 -5.081 4.303) 7.156 20.936 ( -2.621 5.081 4.303) 7.156 21.152 ( 2.475 -4.025 -1.623) 4.997 21.152 ( 2.475 4.025 -1.623) 4.997 21.245 ( -5.702 -4.224 -6.747) 9.791 21.245 ( -5.702 4.224 -6.747) 9.791 22.028 ( 9.858 -4.169 0.523) 10.716 22.028 ( 9.858 4.169 0.523) 10.716 22.300 ( -16.448 -5.333 1.485) 17.354 22.300 ( -16.448 5.333 1.485) 17.354 23.034 ( 3.008 -2.028 1.687) 4.001 23.034 ( 3.008 2.028 1.687) 4.001 23.126 ( -5.042 -1.806 1.302) 5.512 23.126 ( -5.042 1.806 1.302) 5.512 24.154 ( 9.225 -4.526 2.797) 10.649 24.154 ( 9.225 4.526 2.797) 10.649 24.249 ( 0.898 -4.197 1.384) 4.509 24.249 ( 0.898 4.197 1.384) 4.509 24.771 ( 0.842 -4.538 2.855) 5.427 24.771 ( 0.842 4.538 2.855) 5.427 24.810 ( -2.201 -5.263 2.628) 6.281 24.810 ( -2.201 5.263 2.628) 6.281 26.150 ( 1.480 -10.109 0.270) 10.220 26.150 ( 1.480 10.109 0.270) 10.220 26.184 ( -1.684 -9.981 -2.804) 10.503 26.184 ( -1.684 9.981 -2.804) 10.503 27.656 ( 2.622 -1.659 -0.999) 3.260 27.656 ( 2.622 1.659 -0.999) 3.260 27.725 ( -3.946 -1.139 -0.493) 4.137 27.725 ( -3.946 1.139 -0.493) 4.137 28.247 ( 1.485 -2.222 -0.136) 2.676 28.247 ( 1.485 2.222 -0.136) 2.676 28.308 ( -4.328 -2.793 -0.021) 5.151 28.308 ( -4.328 2.793 -0.021) 5.151 29.006 ( 5.127 -2.460 8.977) 10.626 29.006 ( 5.127 2.460 8.977) 10.626 29.082 ( -2.379 -2.453 7.421) 8.170 29.082 ( -2.379 2.453 7.421) 8.170 29.213 ( 3.056 -0.885 -4.565) 5.564 29.213 ( 3.056 0.885 -4.565) 5.564 29.255 ( -0.598 -1.031 -6.699) 6.804 29.255 ( -0.598 1.031 -6.699) 6.804 30.256 ( 6.691 -2.919 11.433) 13.565 30.256 ( 6.691 2.919 11.433) 13.565 30.385 ( -5.508 -3.485 11.777) 13.460 30.385 ( -5.508 3.485 11.777) 13.460 30.796 ( 6.252 -5.199 -4.962) 9.525 30.796 ( 6.252 5.199 -4.962) 9.525 30.961 ( -8.967 -6.160 -14.811) 18.377 30.961 ( -8.967 6.160 -14.811) 18.377 =================== 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 3/31680 10.0 918.024 461.929 1039.147 0.000 0.000 0.000 3/31680 20.0 158.431 127.843 191.204 0.000 0.000 0.000 3/31680 30.0 58.568 49.666 68.114 0.000 0.000 0.000 3/31680 40.0 31.831 27.354 36.186 0.000 0.000 0.000 3/31680 50.0 21.365 18.411 24.016 0.000 0.000 0.000 3/31680 60.0 16.187 13.922 18.039 0.000 0.000 0.000 3/31680 70.0 13.206 11.317 14.587 0.000 0.000 0.000 3/31680 80.0 11.297 9.646 12.367 0.000 0.000 0.000 3/31680 90.0 9.974 8.494 10.830 0.000 0.000 0.000 3/31680 100.0 9.001 7.653 9.709 0.000 0.000 0.000 3/31680 110.0 8.250 7.011 8.858 0.000 0.000 0.000 3/31680 120.0 7.649 6.502 8.189 0.000 0.000 0.000 3/31680 130.0 7.153 6.084 7.648 0.000 0.000 0.000 3/31680 140.0 6.733 5.731 7.199 0.000 0.000 0.000 3/31680 150.0 6.371 5.427 6.817 0.000 0.000 0.000 3/31680 160.0 6.052 5.161 6.486 0.000 0.000 0.000 3/31680 170.0 5.769 4.923 6.194 0.000 0.000 0.000 3/31680 180.0 5.514 4.708 5.934 0.000 0.000 0.000 3/31680 190.0 5.283 4.514 5.698 0.000 0.000 0.000 3/31680 200.0 5.071 4.335 5.483 0.000 0.000 0.000 3/31680 210.0 4.877 4.171 5.285 0.000 0.000 0.000 3/31680 220.0 4.697 4.019 5.102 0.000 0.000 0.000 3/31680 230.0 4.531 3.878 4.932 0.000 0.000 0.000 3/31680 240.0 4.376 3.747 4.774 0.000 0.000 0.000 3/31680 250.0 4.231 3.624 4.625 0.000 0.000 0.000 3/31680 260.0 4.096 3.509 4.486 0.000 0.000 0.000 3/31680 270.0 3.969 3.401 4.355 0.000 0.000 0.000 3/31680 280.0 3.849 3.299 4.232 0.000 0.000 0.000 3/31680 290.0 3.736 3.204 4.115 0.000 0.000 0.000 3/31680 300.0 3.630 3.113 4.005 0.000 0.000 0.000 3/31680 310.0 3.530 3.028 3.900 0.000 0.000 0.000 3/31680 320.0 3.435 2.947 3.800 0.000 0.000 0.000 3/31680 330.0 3.345 2.870 3.706 0.000 0.000 0.000 3/31680 340.0 3.259 2.797 3.616 0.000 0.000 0.000 3/31680 350.0 3.178 2.728 3.530 0.000 0.000 0.000 3/31680 360.0 3.100 2.662 3.448 0.000 0.000 0.000 3/31680 370.0 3.027 2.599 3.370 0.000 0.000 0.000 3/31680 380.0 2.956 2.539 3.295 0.000 0.000 0.000 3/31680 390.0 2.889 2.482 3.224 0.000 0.000 0.000 3/31680 400.0 2.825 2.427 3.155 0.000 0.000 0.000 3/31680 410.0 2.763 2.375 3.089 0.000 0.000 0.000 3/31680 420.0 2.704 2.324 3.026 0.000 0.000 0.000 3/31680 430.0 2.648 2.276 2.965 0.000 0.000 0.000 3/31680 440.0 2.593 2.230 2.907 0.000 0.000 0.000 3/31680 450.0 2.541 2.185 2.851 0.000 0.000 0.000 3/31680 460.0 2.491 2.142 2.796 0.000 0.000 0.000 3/31680 470.0 2.443 2.101 2.744 0.000 0.000 0.000 3/31680 480.0 2.397 2.062 2.694 0.000 0.000 0.000 3/31680 490.0 2.352 2.023 2.646 0.000 0.000 0.000 3/31680 500.0 2.309 1.987 2.599 0.000 0.000 0.000 3/31680 510.0 2.267 1.951 2.553 0.000 0.000 0.000 3/31680 520.0 2.227 1.917 2.510 0.000 0.000 0.000 3/31680 530.0 2.189 1.884 2.467 0.000 0.000 0.000 3/31680 540.0 2.151 1.852 2.426 0.000 0.000 0.000 3/31680 550.0 2.115 1.821 2.387 0.000 0.000 0.000 3/31680 560.0 2.080 1.791 2.348 0.000 0.000 0.000 3/31680 570.0 2.046 1.762 2.311 0.000 0.000 0.000 3/31680 580.0 2.013 1.734 2.275 0.000 0.000 0.000 3/31680 590.0 1.981 1.706 2.240 0.000 0.000 0.000 3/31680 600.0 1.951 1.680 2.206 0.000 0.000 0.000 3/31680 610.0 1.921 1.654 2.173 0.000 0.000 0.000 3/31680 620.0 1.892 1.629 2.141 0.000 0.000 0.000 3/31680 630.0 1.863 1.605 2.110 0.000 0.000 0.000 3/31680 640.0 1.836 1.582 2.080 0.000 0.000 0.000 3/31680 650.0 1.810 1.559 2.050 0.000 0.000 0.000 3/31680 660.0 1.784 1.537 2.022 0.000 0.000 0.000 3/31680 670.0 1.759 1.515 1.994 0.000 0.000 0.000 3/31680 680.0 1.734 1.494 1.967 0.000 0.000 0.000 3/31680 690.0 1.710 1.474 1.940 0.000 0.000 0.000 3/31680 700.0 1.687 1.454 1.915 0.000 0.000 0.000 3/31680 710.0 1.665 1.435 1.890 0.000 0.000 0.000 3/31680 720.0 1.643 1.416 1.865 0.000 0.000 0.000 3/31680 730.0 1.621 1.398 1.841 0.000 0.000 0.000 3/31680 740.0 1.601 1.380 1.818 0.000 0.000 0.000 3/31680 750.0 1.580 1.362 1.796 0.000 0.000 0.000 3/31680 760.0 1.560 1.345 1.773 0.000 0.000 0.000 3/31680 770.0 1.541 1.329 1.752 0.000 0.000 0.000 3/31680 780.0 1.522 1.312 1.731 0.000 0.000 0.000 3/31680 790.0 1.504 1.297 1.710 0.000 0.000 0.000 3/31680 800.0 1.486 1.281 1.690 0.000 0.000 0.000 3/31680 810.0 1.468 1.266 1.670 0.000 0.000 0.000 3/31680 820.0 1.451 1.251 1.651 0.000 0.000 0.000 3/31680 830.0 1.434 1.237 1.632 0.000 0.000 0.000 3/31680 840.0 1.418 1.223 1.614 0.000 0.000 0.000 3/31680 850.0 1.402 1.209 1.596 0.000 0.000 0.000 3/31680 860.0 1.386 1.196 1.578 0.000 0.000 0.000 3/31680 870.0 1.371 1.182 1.561 0.000 0.000 0.000 3/31680 880.0 1.356 1.169 1.544 0.000 0.000 0.000 3/31680 890.0 1.341 1.157 1.528 0.000 0.000 0.000 3/31680 900.0 1.327 1.144 1.512 0.000 0.000 0.000 3/31680 910.0 1.313 1.132 1.496 0.000 0.000 0.000 3/31680 920.0 1.299 1.121 1.480 0.000 0.000 0.000 3/31680 930.0 1.285 1.109 1.465 0.000 0.000 0.000 3/31680 940.0 1.272 1.098 1.450 0.000 0.000 0.000 3/31680 950.0 1.259 1.086 1.436 0.000 0.000 0.000 3/31680 960.0 1.247 1.075 1.422 0.000 0.000 0.000 3/31680 970.0 1.234 1.065 1.407 0.000 0.000 0.000 3/31680 980.0 1.222 1.054 1.394 0.000 0.000 0.000 3/31680 990.0 1.210 1.044 1.380 0.000 0.000 0.000 3/31680 1000.0 1.198 1.034 1.367 0.000 0.000 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m5411.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:57:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|