----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:50:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 3.891594029999999 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): *1 Pr 0.59441026787942 0.25000000000000 0.11889889245038 140.908 *2 Pr 0.06366377628142 0.75000000000000 0.89163420040607 140.908 3 Pr 0.40558973212058 0.75000000000000 0.88110110754962 140.908 *4 Pr 0.71922422064578 0.75000000000000 0.87596143679456 140.908 *5 Pr 0.97650127488437 0.25000000000000 0.37562520108085 140.908 *6 Pr 0.47471702998397 0.75000000000000 0.29098928505107 140.908 *7 Pr 0.67840389491010 0.75000000000000 0.52649940821397 140.908 8 Pr 0.28077577935422 0.25000000000000 0.12403856320544 140.908 9 Pr 0.32159610508990 0.25000000000000 0.47350059178603 140.908 10 Pr 0.93633622371858 0.25000000000000 0.10836579959393 140.908 11 Pr 0.52528297001603 0.25000000000000 0.70901071494893 140.908 12 Pr 0.02349872511563 0.75000000000000 0.62437479891915 140.908 *13 Ti 0.77996301217351 0.75000000000000 0.23466263346419 47.867 *14 Ti 0.79643590901621 0.25000000000000 0.68572467601489 47.867 15 Ti 0.20356409098379 0.75000000000000 0.31427532398511 47.867 16 Ti 0.22003698782649 0.25000000000000 0.76533736653581 47.867 *17 S 0.79710007110588 0.75000000000000 0.37435156335811 32.065 *18 S 0.55321969021130 0.25000000000000 0.41975504789828 32.065 *19 S 0.88337581733518 0.25000000000000 0.53563960775435 32.065 *20 S 0.99870680722603 0.75000000000000 0.24448794139890 32.065 21 S 0.44678030978870 0.75000000000000 0.58024495210172 32.065 *22 S 0.90078660532957 0.25000000000000 0.93224119221290 32.065 *23 S 0.42147332620861 0.75000000000000 0.05890214438461 32.065 24 S 0.09921339467043 0.75000000000000 0.06775880778710 32.065 *25 S 0.23397664030867 0.25000000000000 0.93067151365738 32.065 26 S 0.20289992889412 0.25000000000000 0.62564843664189 32.065 27 S 0.00129319277397 0.25000000000000 0.75551205860110 32.065 28 S 0.11662418266482 0.75000000000000 0.46436039224566 32.065 29 S 0.57852667379139 0.25000000000000 0.94109785561539 32.065 30 S 0.76602335969133 0.75000000000000 0.06932848634262 32.065 *31 O 0.81923477167626 0.75000000000000 0.66867399843392 15.999 *32 O 0.37127900125357 0.25000000000000 0.78968644697290 15.999 *33 O 0.20331918890969 0.75000000000000 0.78382326872796 15.999 *34 O 0.54751963330683 0.75000000000000 0.78637241212289 15.999 *35 O 0.66550099846915 0.25000000000000 0.61308168665447 15.999 36 O 0.45248036669317 0.25000000000000 0.21362758787711 15.999 37 O 0.33449900153085 0.75000000000000 0.38691831334553 15.999 *38 O 0.72660734011145 0.25000000000000 0.77661049645217 15.999 39 O 0.27339265988855 0.75000000000000 0.22338950354783 15.999 40 O 0.62872099874643 0.75000000000000 0.21031355302710 15.999 41 O 0.18076522832374 0.25000000000000 0.33132600156608 15.999 42 O 0.79668081109031 0.25000000000000 0.21617673127204 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 3.891594029999999 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): *1 Pr 0.59441026787942 0.25000000000000 0.11889889245038 140.908 > 1 *2 Pr 0.06366377628142 0.75000000000000 0.89163420040607 140.908 > 2 3 Pr 0.40558973212058 0.75000000000000 0.88110110754962 140.908 > 3 *4 Pr 0.71922422064578 0.75000000000000 0.87596143679456 140.908 > 4 *5 Pr 0.97650127488437 0.25000000000000 0.37562520108085 140.908 > 5 *6 Pr 0.47471702998397 0.75000000000000 0.29098928505107 140.908 > 6 *7 Pr 0.67840389491010 0.75000000000000 0.52649940821397 140.908 > 7 8 Pr 0.28077577935422 0.25000000000000 0.12403856320544 140.908 > 8 9 Pr 0.32159610508990 0.25000000000000 0.47350059178603 140.908 > 9 10 Pr 0.93633622371858 0.25000000000000 0.10836579959393 140.908 > 10 11 Pr 0.52528297001603 0.25000000000000 0.70901071494893 140.908 > 11 12 Pr 0.02349872511563 0.75000000000000 0.62437479891915 140.908 > 12 *13 Ti 0.77996301217351 0.75000000000000 0.23466263346419 47.867 > 13 *14 Ti 0.79643590901621 0.25000000000000 0.68572467601489 47.867 > 14 15 Ti 0.20356409098379 0.75000000000000 0.31427532398511 47.867 > 15 16 Ti 0.22003698782649 0.25000000000000 0.76533736653581 47.867 > 16 *17 S 0.79710007110588 0.75000000000000 0.37435156335811 32.065 > 17 *18 S 0.55321969021130 0.25000000000000 0.41975504789828 32.065 > 18 *19 S 0.88337581733518 0.25000000000000 0.53563960775435 32.065 > 19 *20 S 0.99870680722603 0.75000000000000 0.24448794139890 32.065 > 20 21 S 0.44678030978870 0.75000000000000 0.58024495210172 32.065 > 21 *22 S 0.90078660532957 0.25000000000000 0.93224119221290 32.065 > 22 *23 S 0.42147332620861 0.75000000000000 0.05890214438461 32.065 > 23 24 S 0.09921339467043 0.75000000000000 0.06775880778710 32.065 > 24 *25 S 0.23397664030867 0.25000000000000 0.93067151365738 32.065 > 25 26 S 0.20289992889412 0.25000000000000 0.62564843664189 32.065 > 26 27 S 0.00129319277397 0.25000000000000 0.75551205860110 32.065 > 27 28 S 0.11662418266482 0.75000000000000 0.46436039224566 32.065 > 28 29 S 0.57852667379139 0.25000000000000 0.94109785561539 32.065 > 29 30 S 0.76602335969133 0.75000000000000 0.06932848634262 32.065 > 30 *31 O 0.81923477167626 0.75000000000000 0.66867399843392 15.999 > 31 *32 O 0.37127900125357 0.25000000000000 0.78968644697290 15.999 > 32 *33 O 0.20331918890969 0.75000000000000 0.78382326872796 15.999 > 33 *34 O 0.54751963330683 0.75000000000000 0.78637241212289 15.999 > 34 *35 O 0.66550099846915 0.25000000000000 0.61308168665447 15.999 > 35 36 O 0.45248036669317 0.25000000000000 0.21362758787711 15.999 > 36 37 O 0.33449900153085 0.75000000000000 0.38691831334553 15.999 > 37 *38 O 0.72660734011145 0.25000000000000 0.77661049645217 15.999 > 38 39 O 0.27339265988855 0.75000000000000 0.22338950354783 15.999 > 39 40 O 0.62872099874643 0.75000000000000 0.21031355302710 15.999 > 40 41 O 0.18076522832374 0.25000000000000 0.33132600156608 15.999 > 41 42 O 0.79668081109031 0.25000000000000 0.21617673127204 15.999 > 42 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674782089999997 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): *1 Pr 0.59441026787942 0.08333333333333 0.11889889245038 140.908 > 1 2 Pr 0.59441026787942 0.41666666666667 0.11889889245038 140.908 > 1 3 Pr 0.59441026787942 0.75000000000000 0.11889889245038 140.908 > 1 *4 Pr 0.06366377628142 0.25000000000000 0.89163420040607 140.908 > 2 5 Pr 0.06366377628142 0.58333333333333 0.89163420040607 140.908 > 2 6 Pr 0.06366377628142 0.91666666666667 0.89163420040607 140.908 > 2 7 Pr 0.40558973212058 0.25000000000000 0.88110110754962 140.908 > 3 8 Pr 0.40558973212058 0.58333333333333 0.88110110754962 140.908 > 3 9 Pr 0.40558973212058 0.91666666666667 0.88110110754962 140.908 > 3 *10 Pr 0.71922422064578 0.25000000000000 0.87596143679456 140.908 > 4 11 Pr 0.71922422064578 0.58333333333333 0.87596143679456 140.908 > 4 12 Pr 0.71922422064578 0.91666666666667 0.87596143679456 140.908 > 4 *13 Pr 0.97650127488437 0.08333333333333 0.37562520108085 140.908 > 5 14 Pr 0.97650127488437 0.41666666666667 0.37562520108085 140.908 > 5 15 Pr 0.97650127488437 0.75000000000000 0.37562520108085 140.908 > 5 *16 Pr 0.47471702998397 0.25000000000000 0.29098928505107 140.908 > 6 17 Pr 0.47471702998397 0.58333333333333 0.29098928505107 140.908 > 6 18 Pr 0.47471702998397 0.91666666666667 0.29098928505107 140.908 > 6 *19 Pr 0.67840389491010 0.25000000000000 0.52649940821397 140.908 > 7 20 Pr 0.67840389491010 0.58333333333333 0.52649940821397 140.908 > 7 21 Pr 0.67840389491010 0.91666666666667 0.52649940821397 140.908 > 7 22 Pr 0.28077577935422 0.08333333333333 0.12403856320544 140.908 > 8 23 Pr 0.28077577935422 0.41666666666667 0.12403856320544 140.908 > 8 24 Pr 0.28077577935422 0.75000000000000 0.12403856320544 140.908 > 8 25 Pr 0.32159610508990 0.08333333333333 0.47350059178603 140.908 > 9 26 Pr 0.32159610508990 0.41666666666667 0.47350059178603 140.908 > 9 27 Pr 0.32159610508990 0.75000000000000 0.47350059178603 140.908 > 9 28 Pr 0.93633622371858 0.08333333333333 0.10836579959393 140.908 > 10 29 Pr 0.93633622371858 0.41666666666667 0.10836579959393 140.908 > 10 30 Pr 0.93633622371858 0.75000000000000 0.10836579959393 140.908 > 10 31 Pr 0.52528297001603 0.08333333333333 0.70901071494893 140.908 > 11 32 Pr 0.52528297001603 0.41666666666667 0.70901071494893 140.908 > 11 33 Pr 0.52528297001603 0.75000000000000 0.70901071494893 140.908 > 11 34 Pr 0.02349872511563 0.25000000000000 0.62437479891915 140.908 > 12 35 Pr 0.02349872511563 0.58333333333333 0.62437479891915 140.908 > 12 36 Pr 0.02349872511563 0.91666666666667 0.62437479891915 140.908 > 12 *37 Ti 0.77996301217351 0.25000000000000 0.23466263346419 47.867 > 13 38 Ti 0.77996301217351 0.58333333333333 0.23466263346419 47.867 > 13 39 Ti 0.77996301217351 0.91666666666667 0.23466263346419 47.867 > 13 *40 Ti 0.79643590901621 0.08333333333333 0.68572467601489 47.867 > 14 41 Ti 0.79643590901621 0.41666666666667 0.68572467601489 47.867 > 14 42 Ti 0.79643590901621 0.75000000000000 0.68572467601489 47.867 > 14 43 Ti 0.20356409098379 0.25000000000000 0.31427532398511 47.867 > 15 44 Ti 0.20356409098379 0.58333333333333 0.31427532398511 47.867 > 15 45 Ti 0.20356409098379 0.91666666666667 0.31427532398511 47.867 > 15 46 Ti 0.22003698782649 0.08333333333333 0.76533736653581 47.867 > 16 47 Ti 0.22003698782649 0.41666666666667 0.76533736653581 47.867 > 16 48 Ti 0.22003698782649 0.75000000000000 0.76533736653581 47.867 > 16 *49 S 0.79710007110588 0.25000000000000 0.37435156335811 32.065 > 17 50 S 0.79710007110588 0.58333333333333 0.37435156335811 32.065 > 17 51 S 0.79710007110588 0.91666666666667 0.37435156335811 32.065 > 17 *52 S 0.55321969021130 0.08333333333333 0.41975504789828 32.065 > 18 53 S 0.55321969021130 0.41666666666667 0.41975504789828 32.065 > 18 54 S 0.55321969021130 0.75000000000000 0.41975504789828 32.065 > 18 *55 S 0.88337581733518 0.08333333333333 0.53563960775435 32.065 > 19 56 S 0.88337581733518 0.41666666666667 0.53563960775435 32.065 > 19 57 S 0.88337581733518 0.75000000000000 0.53563960775435 32.065 > 19 *58 S 0.99870680722603 0.25000000000000 0.24448794139890 32.065 > 20 59 S 0.99870680722603 0.58333333333333 0.24448794139890 32.065 > 20 60 S 0.99870680722603 0.91666666666667 0.24448794139890 32.065 > 20 61 S 0.44678030978870 0.25000000000000 0.58024495210172 32.065 > 21 62 S 0.44678030978870 0.58333333333333 0.58024495210172 32.065 > 21 63 S 0.44678030978870 0.91666666666667 0.58024495210172 32.065 > 21 *64 S 0.90078660532957 0.08333333333333 0.93224119221290 32.065 > 22 65 S 0.90078660532957 0.41666666666667 0.93224119221290 32.065 > 22 66 S 0.90078660532957 0.75000000000000 0.93224119221290 32.065 > 22 *67 S 0.42147332620861 0.25000000000000 0.05890214438461 32.065 > 23 68 S 0.42147332620861 0.58333333333333 0.05890214438461 32.065 > 23 69 S 0.42147332620861 0.91666666666667 0.05890214438461 32.065 > 23 70 S 0.09921339467043 0.25000000000000 0.06775880778710 32.065 > 24 71 S 0.09921339467043 0.58333333333333 0.06775880778710 32.065 > 24 72 S 0.09921339467043 0.91666666666667 0.06775880778710 32.065 > 24 *73 S 0.23397664030867 0.08333333333333 0.93067151365738 32.065 > 25 74 S 0.23397664030867 0.41666666666667 0.93067151365738 32.065 > 25 75 S 0.23397664030867 0.75000000000000 0.93067151365738 32.065 > 25 76 S 0.20289992889412 0.08333333333333 0.62564843664189 32.065 > 26 77 S 0.20289992889412 0.41666666666667 0.62564843664189 32.065 > 26 78 S 0.20289992889412 0.75000000000000 0.62564843664189 32.065 > 26 79 S 0.00129319277397 0.08333333333333 0.75551205860110 32.065 > 27 80 S 0.00129319277397 0.41666666666667 0.75551205860110 32.065 > 27 81 S 0.00129319277397 0.75000000000000 0.75551205860110 32.065 > 27 82 S 0.11662418266482 0.25000000000000 0.46436039224566 32.065 > 28 83 S 0.11662418266482 0.58333333333333 0.46436039224566 32.065 > 28 84 S 0.11662418266482 0.91666666666667 0.46436039224566 32.065 > 28 85 S 0.57852667379139 0.08333333333333 0.94109785561539 32.065 > 29 86 S 0.57852667379139 0.41666666666667 0.94109785561539 32.065 > 29 87 S 0.57852667379139 0.75000000000000 0.94109785561539 32.065 > 29 88 S 0.76602335969133 0.25000000000000 0.06932848634262 32.065 > 30 89 S 0.76602335969133 0.58333333333333 0.06932848634262 32.065 > 30 90 S 0.76602335969133 0.91666666666667 0.06932848634262 32.065 > 30 *91 O 0.81923477167626 0.25000000000000 0.66867399843392 15.999 > 31 92 O 0.81923477167626 0.58333333333333 0.66867399843392 15.999 > 31 93 O 0.81923477167626 0.91666666666667 0.66867399843392 15.999 > 31 *94 O 0.37127900125357 0.08333333333333 0.78968644697290 15.999 > 32 95 O 0.37127900125357 0.41666666666667 0.78968644697290 15.999 > 32 96 O 0.37127900125357 0.75000000000000 0.78968644697290 15.999 > 32 *97 O 0.20331918890969 0.25000000000000 0.78382326872796 15.999 > 33 98 O 0.20331918890969 0.58333333333333 0.78382326872796 15.999 > 33 99 O 0.20331918890969 0.91666666666667 0.78382326872796 15.999 > 33 *100 O 0.54751963330683 0.25000000000000 0.78637241212289 15.999 > 34 101 O 0.54751963330683 0.58333333333333 0.78637241212289 15.999 > 34 102 O 0.54751963330683 0.91666666666667 0.78637241212289 15.999 > 34 *103 O 0.66550099846915 0.08333333333333 0.61308168665447 15.999 > 35 104 O 0.66550099846915 0.41666666666667 0.61308168665447 15.999 > 35 105 O 0.66550099846915 0.75000000000000 0.61308168665447 15.999 > 35 106 O 0.45248036669317 0.08333333333333 0.21362758787711 15.999 > 36 107 O 0.45248036669317 0.41666666666667 0.21362758787711 15.999 > 36 108 O 0.45248036669317 0.75000000000000 0.21362758787711 15.999 > 36 109 O 0.33449900153085 0.25000000000000 0.38691831334553 15.999 > 37 110 O 0.33449900153085 0.58333333333333 0.38691831334553 15.999 > 37 111 O 0.33449900153085 0.91666666666667 0.38691831334553 15.999 > 37 *112 O 0.72660734011145 0.08333333333333 0.77661049645217 15.999 > 38 113 O 0.72660734011145 0.41666666666667 0.77661049645217 15.999 > 38 114 O 0.72660734011145 0.75000000000000 0.77661049645217 15.999 > 38 115 O 0.27339265988855 0.25000000000000 0.22338950354783 15.999 > 39 116 O 0.27339265988855 0.58333333333333 0.22338950354783 15.999 > 39 117 O 0.27339265988855 0.91666666666667 0.22338950354783 15.999 > 39 118 O 0.62872099874643 0.25000000000000 0.21031355302710 15.999 > 40 119 O 0.62872099874643 0.58333333333333 0.21031355302710 15.999 > 40 120 O 0.62872099874643 0.91666666666667 0.21031355302710 15.999 > 40 121 O 0.18076522832374 0.08333333333333 0.33132600156608 15.999 > 41 122 O 0.18076522832374 0.41666666666667 0.33132600156608 15.999 > 41 123 O 0.18076522832374 0.75000000000000 0.33132600156608 15.999 > 41 124 O 0.79668081109031 0.08333333333333 0.21617673127204 15.999 > 42 125 O 0.79668081109031 0.41666666666667 0.21617673127204 15.999 > 42 126 O 0.79668081109031 0.75000000000000 0.21617673127204 15.999 > 42 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3347147 0.0000000 0.2989719 0.0000000 7.7042364 0.0000000 0.2989728 0.0000000 7.7791667 -------------------------- Born effective charges -------------------------- 1 Pr 4.6395429 0.0000000 0.5430852 0.0000000 3.8914585 0.0000000 0.4653667 0.0000000 3.8933023 2 Pr 3.3725219 0.0000000 -0.3941669 0.0000000 4.3501125 0.0000000 -0.7636327 0.0000000 3.7937307 3 Pr 4.6395429 0.0000000 0.5430852 0.0000000 3.8914585 0.0000000 0.4653667 0.0000000 3.8933023 4 Pr 4.4931412 0.0000000 0.3708520 0.0000000 4.2506818 0.0000000 0.4572531 0.0000000 4.4932503 5 Pr 3.1404919 0.0000000 0.2618641 0.0000000 4.3423798 0.0000000 0.5585142 0.0000000 3.5607191 6 Pr 4.6082028 0.0000000 -0.4892034 0.0000000 4.4405557 0.0000000 -0.1778823 0.0000000 4.2921130 7 Pr 4.4945531 0.0000000 0.4822464 0.0000000 4.1871975 0.0000000 0.0390444 0.0000000 4.0632353 8 Pr 4.4931412 0.0000000 0.3708520 0.0000000 4.2506818 0.0000000 0.4572531 0.0000000 4.4932503 9 Pr 4.4945531 0.0000000 0.4822464 0.0000000 4.1871975 0.0000000 0.0390444 0.0000000 4.0632353 10 Pr 3.3725219 0.0000000 -0.3941669 0.0000000 4.3501125 0.0000000 -0.7636327 0.0000000 3.7937307 11 Pr 4.6082028 0.0000000 -0.4892034 0.0000000 4.4405557 0.0000000 -0.1778823 0.0000000 4.2921130 12 Pr 3.1404919 0.0000000 0.2618641 0.0000000 4.3423798 0.0000000 0.5585142 0.0000000 3.5607191 13 Ti 4.5596632 0.0000000 0.8689404 0.0000000 6.2848807 0.0000000 1.3485343 0.0000000 5.6976178 14 Ti 5.2585858 0.0000000 0.1074554 0.0000000 6.2845634 0.0000000 0.1468620 0.0000000 5.3756567 15 Ti 5.2585858 0.0000000 0.1074554 0.0000000 6.2845634 0.0000000 0.1468620 0.0000000 5.3756567 16 Ti 4.5596632 0.0000000 0.8689404 0.0000000 6.2848807 0.0000000 1.3485343 0.0000000 5.6976178 17 S -1.7778229 0.0000000 0.1745261 0.0000000 -1.5119033 0.0000000 -0.0891631 0.0000000 -3.3902523 18 S -2.5695164 0.0000000 -0.5673908 0.0000000 -2.7790483 0.0000000 -0.3548041 0.0000000 -2.4584110 19 S -2.4285116 0.0000000 -0.0834268 0.0000000 -2.5873119 0.0000000 -0.1990594 0.0000000 -2.9180102 20 S -2.5646699 0.0000000 -0.5747363 0.0000000 -2.1748645 0.0000000 -0.7469787 0.0000000 -2.7342717 21 S -2.5695164 0.0000000 -0.5673908 0.0000000 -2.7790483 0.0000000 -0.3548041 0.0000000 -2.4584110 22 S -2.7113860 0.0000000 0.1273141 0.0000000 -2.7636472 0.0000000 0.3074964 0.0000000 -2.1833971 23 S -2.9319636 0.0000000 -0.0387625 0.0000000 -2.8385244 0.0000000 -0.1285395 0.0000000 -2.1191214 24 S -2.7113860 0.0000000 0.1273141 0.0000000 -2.7636472 0.0000000 0.3074964 0.0000000 -2.1833971 25 S -2.6087195 0.0000000 -0.2622474 0.0000000 -2.7485372 0.0000000 -0.0993999 0.0000000 -2.7783143 26 S -1.7778229 0.0000000 0.1745261 0.0000000 -1.5119033 0.0000000 -0.0891631 0.0000000 -3.3902523 27 S -2.5646699 0.0000000 -0.5747363 0.0000000 -2.1748645 0.0000000 -0.7469787 0.0000000 -2.7342717 28 S -2.4285116 0.0000000 -0.0834268 0.0000000 -2.5873119 0.0000000 -0.1990594 0.0000000 -2.9180102 29 S -2.9319636 0.0000000 -0.0387625 0.0000000 -2.8385244 0.0000000 -0.1285395 0.0000000 -2.1191214 30 S -2.6087195 0.0000000 -0.2622474 0.0000000 -2.7485372 0.0000000 -0.0993999 0.0000000 -2.7783143 31 O -1.9698254 0.0000000 0.0299089 0.0000000 -5.6860577 0.0000000 -0.0815843 0.0000000 -1.7499840 32 O -4.4918874 0.0000000 -0.6465023 0.0000000 -1.9067952 0.0000000 -1.0498344 0.0000000 -2.4771152 33 O -1.6282987 0.0000000 -0.0423750 0.0000000 -5.9500276 0.0000000 -0.0191858 0.0000000 -2.0370132 34 O -2.8012855 0.0000000 -0.2316051 0.0000000 -3.0342910 0.0000000 -0.2350677 0.0000000 -3.4124020 35 O -3.4094022 0.0000000 -0.8678251 0.0000000 -2.3602187 0.0000000 -0.7665134 0.0000000 -3.0103818 36 O -2.8012855 0.0000000 -0.2316051 0.0000000 -3.0342910 0.0000000 -0.2350677 0.0000000 -3.4124020 37 O -3.4094022 0.0000000 -0.8678251 0.0000000 -2.3602187 0.0000000 -0.7665134 0.0000000 -3.0103818 38 O -2.6734138 0.0000000 1.2320491 0.0000000 -1.6906027 0.0000000 1.3885741 0.0000000 -3.9009511 39 O -2.6734138 0.0000000 1.2320491 0.0000000 -1.6906027 0.0000000 1.3885741 0.0000000 -3.9009511 40 O -4.4918874 0.0000000 -0.6465023 0.0000000 -1.9067952 0.0000000 -1.0498344 0.0000000 -2.4771152 41 O -1.9698254 0.0000000 0.0299089 0.0000000 -5.6860577 0.0000000 -0.0815843 0.0000000 -1.7499840 42 O -1.6282987 0.0000000 -0.0423750 0.0000000 -5.9500276 0.0000000 -0.0191858 0.0000000 -2.0370132 ---------------------------------------------------------------------------- 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: 378/378 Permutation basis: 24129/24129 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6300 Number of blocks in projector: 6300 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: 1764 Use submatrix version of eigh solver. (1) Block: 500 / 1764 (2) Block: 250 / 500 (2) 209 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 1000 / 1764 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 209 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 1500 / 1764 (2) Block: 250 / 500 (2) 211 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1764 / 1764 (1) 241 eigenvectors found. (1) Complementary block size: 144 (1) Compute compressed projector. (1) Use standard solver. (1) 103 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 924 Use submatrix version of eigh solver. (1) Block: 500 / 924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 924 / 924 (1) 403 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 924 Use submatrix version of eigh solver. (1) Block: 500 / 924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 924 / 924 (1) 403 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 924 Use submatrix version of eigh solver. (1) Block: 500 / 924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 924 / 924 (1) 403 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 882 Use submatrix version of eigh solver. (1) Block: 500 / 882 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 882 / 882 (1) 382 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 882 Use submatrix version of eigh solver. (1) Block: 500 / 882 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 882 / 882 (1) 382 eigenvectors found. Tree of FC basis block matrices: - (6300, 6196), data: False |-- (882, 882), data: False |-- (382, 382), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (882, 882), data: False |-- (382, 382), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (924, 903), data: False |-- (924, 21), data: (924, 42) @ (42, 21) |-- (424, 403), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (924, 903), data: False |-- (924, 21), data: (924, 42) @ (42, 21) |-- (424, 403), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (924, 903), data: False |-- (924, 21), data: (924, 42) @ (42, 21) |-- (424, 403), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (1764, 1723), data: False |-- (1764, 103), data: (1764, 144) @ (144, 103) |-- (264, 241), data: True |-- (500, 461), data: False |-- (500, 33), data: (500, 72) @ (72, 33) |-- (250, 217), data: True |-- (250, 211), data: True |-- (500, 459), data: False |-- (500, 27), data: (500, 68) @ (68, 27) |-- (250, 209), data: True |-- (250, 223), data: True |-- (500, 459), data: False |-- (500, 35), data: (500, 76) @ (76, 35) |-- (250, 215), data: True |-- (250, 209), data: True ----- Solver_atoms: 1 -- 126 / 126 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1280 - Time: 3.305 Solver_block: 200 / 1280 - Time: 3.017 Solver_block: 300 / 1280 - Time: 3.082 Solver_block: 400 / 1280 - Time: 2.437 Solver_block: 500 / 1280 - Time: 2.883 Solver_block: 600 / 1280 - Time: 3.357 Solver_block: 700 / 1280 - Time: 2.077 Solver_block: 800 / 1280 - Time: 2.491 Solver_block: 900 / 1280 - Time: 3.498 Solver_block: 1000 / 1280 - Time: 3.623 Solver_block: 1100 / 1280 - Time: 2.350 Solver_block: 1200 / 1280 - Time: 2.766 Solver_block: 1280 / 1280 - Time: 2.962 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.339 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 378/378 Permutation basis: 24129/24129 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6300 Number of blocks in projector: 6300 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: 1764 Use submatrix version of eigh solver. (1) Block: 500 / 1764 (2) Block: 250 / 500 (2) 209 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 1000 / 1764 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 209 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 1500 / 1764 (2) Block: 250 / 500 (2) 211 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1764 / 1764 (1) 241 eigenvectors found. (1) Complementary block size: 144 (1) Compute compressed projector. (1) Use standard solver. (1) 103 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 924 Use submatrix version of eigh solver. (1) Block: 500 / 924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 924 / 924 (1) 403 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 924 Use submatrix version of eigh solver. (1) Block: 500 / 924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 924 / 924 (1) 403 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 924 Use submatrix version of eigh solver. (1) Block: 500 / 924 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 924 / 924 (1) 403 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 882 Use submatrix version of eigh solver. (1) Block: 500 / 882 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 882 / 882 (1) 382 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 882 Use submatrix version of eigh solver. (1) Block: 500 / 882 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 882 / 882 (1) 382 eigenvectors found. Tree of FC basis block matrices: - (6300, 6196), data: False |-- (882, 882), data: False |-- (382, 382), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (882, 882), data: False |-- (382, 382), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (924, 903), data: False |-- (924, 21), data: (924, 42) @ (42, 21) |-- (424, 403), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (924, 903), data: False |-- (924, 21), data: (924, 42) @ (42, 21) |-- (424, 403), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (924, 903), data: False |-- (924, 21), data: (924, 42) @ (42, 21) |-- (424, 403), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True |-- (1764, 1723), data: False |-- (1764, 103), data: (1764, 144) @ (144, 103) |-- (264, 241), data: True |-- (500, 461), data: False |-- (500, 33), data: (500, 72) @ (72, 33) |-- (250, 217), data: True |-- (250, 211), data: True |-- (500, 459), data: False |-- (500, 27), data: (500, 68) @ (68, 27) |-- (250, 209), data: True |-- (250, 223), data: True |-- (500, 459), data: False |-- (500, 35), data: (500, 76) @ (76, 35) |-- (250, 215), data: True |-- (250, 209), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:53:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:53:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 3.891594029999999 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): 1 Pr 0.59441026787942 0.25000000000000 0.11889889245038 140.908 2 Pr 0.06366377628142 0.75000000000000 0.89163420040607 140.908 3 Pr 0.40558973212058 0.75000000000000 0.88110110754962 140.908 4 Pr 0.71922422064578 0.75000000000000 0.87596143679456 140.908 5 Pr 0.97650127488437 0.25000000000000 0.37562520108085 140.908 6 Pr 0.47471702998397 0.75000000000000 0.29098928505107 140.908 7 Pr 0.67840389491010 0.75000000000000 0.52649940821397 140.908 8 Pr 0.28077577935422 0.25000000000000 0.12403856320544 140.908 9 Pr 0.32159610508990 0.25000000000000 0.47350059178603 140.908 10 Pr 0.93633622371858 0.25000000000000 0.10836579959393 140.908 11 Pr 0.52528297001603 0.25000000000000 0.70901071494893 140.908 12 Pr 0.02349872511563 0.75000000000000 0.62437479891915 140.908 13 Ti 0.77996301217351 0.75000000000000 0.23466263346419 47.867 14 Ti 0.79643590901621 0.25000000000000 0.68572467601489 47.867 15 Ti 0.20356409098379 0.75000000000000 0.31427532398511 47.867 16 Ti 0.22003698782649 0.25000000000000 0.76533736653581 47.867 17 S 0.79710007110588 0.75000000000000 0.37435156335811 32.065 18 S 0.55321969021130 0.25000000000000 0.41975504789828 32.065 19 S 0.88337581733518 0.25000000000000 0.53563960775435 32.065 20 S 0.99870680722603 0.75000000000000 0.24448794139890 32.065 21 S 0.44678030978870 0.75000000000000 0.58024495210172 32.065 22 S 0.90078660532957 0.25000000000000 0.93224119221290 32.065 23 S 0.42147332620861 0.75000000000000 0.05890214438461 32.065 24 S 0.09921339467043 0.75000000000000 0.06775880778710 32.065 25 S 0.23397664030867 0.25000000000000 0.93067151365738 32.065 26 S 0.20289992889412 0.25000000000000 0.62564843664189 32.065 27 S 0.00129319277397 0.25000000000000 0.75551205860110 32.065 28 S 0.11662418266482 0.75000000000000 0.46436039224566 32.065 29 S 0.57852667379139 0.25000000000000 0.94109785561539 32.065 30 S 0.76602335969133 0.75000000000000 0.06932848634262 32.065 31 O 0.81923477167626 0.75000000000000 0.66867399843392 15.999 32 O 0.37127900125357 0.25000000000000 0.78968644697290 15.999 33 O 0.20331918890969 0.75000000000000 0.78382326872796 15.999 34 O 0.54751963330683 0.75000000000000 0.78637241212289 15.999 35 O 0.66550099846915 0.25000000000000 0.61308168665447 15.999 36 O 0.45248036669317 0.25000000000000 0.21362758787711 15.999 37 O 0.33449900153085 0.75000000000000 0.38691831334553 15.999 38 O 0.72660734011145 0.25000000000000 0.77661049645217 15.999 39 O 0.27339265988855 0.75000000000000 0.22338950354783 15.999 40 O 0.62872099874643 0.75000000000000 0.21031355302710 15.999 41 O 0.18076522832374 0.25000000000000 0.33132600156608 15.999 42 O 0.79668081109031 0.25000000000000 0.21617673127204 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674782089999997 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): 1 Pr 0.59441026787942 0.08333333333333 0.11889889245038 140.908 > 1 2 Pr 0.59441026787942 0.41666666666667 0.11889889245038 140.908 > 1 3 Pr 0.59441026787942 0.75000000000000 0.11889889245038 140.908 > 1 4 Pr 0.06366377628142 0.25000000000000 0.89163420040607 140.908 > 4 5 Pr 0.06366377628142 0.58333333333333 0.89163420040607 140.908 > 4 6 Pr 0.06366377628142 0.91666666666667 0.89163420040607 140.908 > 4 7 Pr 0.40558973212058 0.25000000000000 0.88110110754962 140.908 > 7 8 Pr 0.40558973212058 0.58333333333333 0.88110110754962 140.908 > 7 9 Pr 0.40558973212058 0.91666666666667 0.88110110754962 140.908 > 7 10 Pr 0.71922422064578 0.25000000000000 0.87596143679456 140.908 > 10 11 Pr 0.71922422064578 0.58333333333333 0.87596143679456 140.908 > 10 12 Pr 0.71922422064578 0.91666666666667 0.87596143679456 140.908 > 10 13 Pr 0.97650127488437 0.08333333333333 0.37562520108085 140.908 > 13 14 Pr 0.97650127488437 0.41666666666667 0.37562520108085 140.908 > 13 15 Pr 0.97650127488437 0.75000000000000 0.37562520108085 140.908 > 13 16 Pr 0.47471702998397 0.25000000000000 0.29098928505107 140.908 > 16 17 Pr 0.47471702998397 0.58333333333333 0.29098928505107 140.908 > 16 18 Pr 0.47471702998397 0.91666666666667 0.29098928505107 140.908 > 16 19 Pr 0.67840389491010 0.25000000000000 0.52649940821397 140.908 > 19 20 Pr 0.67840389491010 0.58333333333333 0.52649940821397 140.908 > 19 21 Pr 0.67840389491010 0.91666666666667 0.52649940821397 140.908 > 19 22 Pr 0.28077577935422 0.08333333333333 0.12403856320544 140.908 > 22 23 Pr 0.28077577935422 0.41666666666667 0.12403856320544 140.908 > 22 24 Pr 0.28077577935422 0.75000000000000 0.12403856320544 140.908 > 22 25 Pr 0.32159610508990 0.08333333333333 0.47350059178603 140.908 > 25 26 Pr 0.32159610508990 0.41666666666667 0.47350059178603 140.908 > 25 27 Pr 0.32159610508990 0.75000000000000 0.47350059178603 140.908 > 25 28 Pr 0.93633622371858 0.08333333333333 0.10836579959393 140.908 > 28 29 Pr 0.93633622371858 0.41666666666667 0.10836579959393 140.908 > 28 30 Pr 0.93633622371858 0.75000000000000 0.10836579959393 140.908 > 28 31 Pr 0.52528297001603 0.08333333333333 0.70901071494893 140.908 > 31 32 Pr 0.52528297001603 0.41666666666667 0.70901071494893 140.908 > 31 33 Pr 0.52528297001603 0.75000000000000 0.70901071494893 140.908 > 31 34 Pr 0.02349872511563 0.25000000000000 0.62437479891915 140.908 > 34 35 Pr 0.02349872511563 0.58333333333333 0.62437479891915 140.908 > 34 36 Pr 0.02349872511563 0.91666666666667 0.62437479891915 140.908 > 34 37 Ti 0.77996301217351 0.25000000000000 0.23466263346419 47.867 > 37 38 Ti 0.77996301217351 0.58333333333333 0.23466263346419 47.867 > 37 39 Ti 0.77996301217351 0.91666666666667 0.23466263346419 47.867 > 37 40 Ti 0.79643590901621 0.08333333333333 0.68572467601489 47.867 > 40 41 Ti 0.79643590901621 0.41666666666667 0.68572467601489 47.867 > 40 42 Ti 0.79643590901621 0.75000000000000 0.68572467601489 47.867 > 40 43 Ti 0.20356409098379 0.25000000000000 0.31427532398511 47.867 > 43 44 Ti 0.20356409098379 0.58333333333333 0.31427532398511 47.867 > 43 45 Ti 0.20356409098379 0.91666666666667 0.31427532398511 47.867 > 43 46 Ti 0.22003698782649 0.08333333333333 0.76533736653581 47.867 > 46 47 Ti 0.22003698782649 0.41666666666667 0.76533736653581 47.867 > 46 48 Ti 0.22003698782649 0.75000000000000 0.76533736653581 47.867 > 46 49 S 0.79710007110588 0.25000000000000 0.37435156335811 32.065 > 49 50 S 0.79710007110588 0.58333333333333 0.37435156335811 32.065 > 49 51 S 0.79710007110588 0.91666666666667 0.37435156335811 32.065 > 49 52 S 0.55321969021130 0.08333333333333 0.41975504789828 32.065 > 52 53 S 0.55321969021130 0.41666666666667 0.41975504789828 32.065 > 52 54 S 0.55321969021130 0.75000000000000 0.41975504789828 32.065 > 52 55 S 0.88337581733518 0.08333333333333 0.53563960775435 32.065 > 55 56 S 0.88337581733518 0.41666666666667 0.53563960775435 32.065 > 55 57 S 0.88337581733518 0.75000000000000 0.53563960775435 32.065 > 55 58 S 0.99870680722603 0.25000000000000 0.24448794139890 32.065 > 58 59 S 0.99870680722603 0.58333333333333 0.24448794139890 32.065 > 58 60 S 0.99870680722603 0.91666666666667 0.24448794139890 32.065 > 58 61 S 0.44678030978870 0.25000000000000 0.58024495210172 32.065 > 61 62 S 0.44678030978870 0.58333333333333 0.58024495210172 32.065 > 61 63 S 0.44678030978870 0.91666666666667 0.58024495210172 32.065 > 61 64 S 0.90078660532957 0.08333333333333 0.93224119221290 32.065 > 64 65 S 0.90078660532957 0.41666666666667 0.93224119221290 32.065 > 64 66 S 0.90078660532957 0.75000000000000 0.93224119221290 32.065 > 64 67 S 0.42147332620861 0.25000000000000 0.05890214438461 32.065 > 67 68 S 0.42147332620861 0.58333333333333 0.05890214438461 32.065 > 67 69 S 0.42147332620861 0.91666666666667 0.05890214438461 32.065 > 67 70 S 0.09921339467043 0.25000000000000 0.06775880778710 32.065 > 70 71 S 0.09921339467043 0.58333333333333 0.06775880778710 32.065 > 70 72 S 0.09921339467043 0.91666666666667 0.06775880778710 32.065 > 70 73 S 0.23397664030867 0.08333333333333 0.93067151365738 32.065 > 73 74 S 0.23397664030867 0.41666666666667 0.93067151365738 32.065 > 73 75 S 0.23397664030867 0.75000000000000 0.93067151365738 32.065 > 73 76 S 0.20289992889412 0.08333333333333 0.62564843664189 32.065 > 76 77 S 0.20289992889412 0.41666666666667 0.62564843664189 32.065 > 76 78 S 0.20289992889412 0.75000000000000 0.62564843664189 32.065 > 76 79 S 0.00129319277397 0.08333333333333 0.75551205860110 32.065 > 79 80 S 0.00129319277397 0.41666666666667 0.75551205860110 32.065 > 79 81 S 0.00129319277397 0.75000000000000 0.75551205860110 32.065 > 79 82 S 0.11662418266482 0.25000000000000 0.46436039224566 32.065 > 82 83 S 0.11662418266482 0.58333333333333 0.46436039224566 32.065 > 82 84 S 0.11662418266482 0.91666666666667 0.46436039224566 32.065 > 82 85 S 0.57852667379139 0.08333333333333 0.94109785561539 32.065 > 85 86 S 0.57852667379139 0.41666666666667 0.94109785561539 32.065 > 85 87 S 0.57852667379139 0.75000000000000 0.94109785561539 32.065 > 85 88 S 0.76602335969133 0.25000000000000 0.06932848634262 32.065 > 88 89 S 0.76602335969133 0.58333333333333 0.06932848634262 32.065 > 88 90 S 0.76602335969133 0.91666666666667 0.06932848634262 32.065 > 88 91 O 0.81923477167626 0.25000000000000 0.66867399843392 15.999 > 91 92 O 0.81923477167626 0.58333333333333 0.66867399843392 15.999 > 91 93 O 0.81923477167626 0.91666666666667 0.66867399843392 15.999 > 91 94 O 0.37127900125357 0.08333333333333 0.78968644697290 15.999 > 94 95 O 0.37127900125357 0.41666666666667 0.78968644697290 15.999 > 94 96 O 0.37127900125357 0.75000000000000 0.78968644697290 15.999 > 94 97 O 0.20331918890969 0.25000000000000 0.78382326872796 15.999 > 97 98 O 0.20331918890969 0.58333333333333 0.78382326872796 15.999 > 97 99 O 0.20331918890969 0.91666666666667 0.78382326872796 15.999 > 97 100 O 0.54751963330683 0.25000000000000 0.78637241212289 15.999 > 100 101 O 0.54751963330683 0.58333333333333 0.78637241212289 15.999 > 100 102 O 0.54751963330683 0.91666666666667 0.78637241212289 15.999 > 100 103 O 0.66550099846915 0.08333333333333 0.61308168665447 15.999 > 103 104 O 0.66550099846915 0.41666666666667 0.61308168665447 15.999 > 103 105 O 0.66550099846915 0.75000000000000 0.61308168665447 15.999 > 103 106 O 0.45248036669317 0.08333333333333 0.21362758787711 15.999 > 106 107 O 0.45248036669317 0.41666666666667 0.21362758787711 15.999 > 106 108 O 0.45248036669317 0.75000000000000 0.21362758787711 15.999 > 106 109 O 0.33449900153085 0.25000000000000 0.38691831334553 15.999 > 109 110 O 0.33449900153085 0.58333333333333 0.38691831334553 15.999 > 109 111 O 0.33449900153085 0.91666666666667 0.38691831334553 15.999 > 109 112 O 0.72660734011145 0.08333333333333 0.77661049645217 15.999 > 112 113 O 0.72660734011145 0.41666666666667 0.77661049645217 15.999 > 112 114 O 0.72660734011145 0.75000000000000 0.77661049645217 15.999 > 112 115 O 0.27339265988855 0.25000000000000 0.22338950354783 15.999 > 115 116 O 0.27339265988855 0.58333333333333 0.22338950354783 15.999 > 115 117 O 0.27339265988855 0.91666666666667 0.22338950354783 15.999 > 115 118 O 0.62872099874643 0.25000000000000 0.21031355302710 15.999 > 118 119 O 0.62872099874643 0.58333333333333 0.21031355302710 15.999 > 118 120 O 0.62872099874643 0.91666666666667 0.21031355302710 15.999 > 118 121 O 0.18076522832374 0.08333333333333 0.33132600156608 15.999 > 121 122 O 0.18076522832374 0.41666666666667 0.33132600156608 15.999 > 121 123 O 0.18076522832374 0.75000000000000 0.33132600156608 15.999 > 121 124 O 0.79668081109031 0.08333333333333 0.21617673127204 15.999 > 124 125 O 0.79668081109031 0.41666666666667 0.21617673127204 15.999 > 124 126 O 0.79668081109031 0.75000000000000 0.21617673127204 15.999 > 124 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3347147 0.0000000 0.2989719 0.0000000 7.7042364 0.0000000 0.2989728 0.0000000 7.7791667 -------------------------- Born effective charges -------------------------- 1 Pr 4.6395429 0.0000000 0.5430852 0.0000000 3.8914585 0.0000000 0.4653667 0.0000000 3.8933023 2 Pr 3.3725219 0.0000000 -0.3941669 0.0000000 4.3501125 0.0000000 -0.7636327 0.0000000 3.7937307 3 Pr 4.6395429 0.0000000 0.5430852 0.0000000 3.8914585 0.0000000 0.4653667 0.0000000 3.8933023 4 Pr 4.4931412 0.0000000 0.3708520 0.0000000 4.2506818 0.0000000 0.4572531 0.0000000 4.4932503 5 Pr 3.1404919 0.0000000 0.2618641 0.0000000 4.3423798 0.0000000 0.5585142 0.0000000 3.5607191 6 Pr 4.6082028 0.0000000 -0.4892034 0.0000000 4.4405557 0.0000000 -0.1778823 0.0000000 4.2921130 7 Pr 4.4945531 0.0000000 0.4822464 0.0000000 4.1871975 0.0000000 0.0390444 0.0000000 4.0632353 8 Pr 4.4931412 0.0000000 0.3708520 0.0000000 4.2506818 0.0000000 0.4572531 0.0000000 4.4932503 9 Pr 4.4945531 0.0000000 0.4822464 0.0000000 4.1871975 0.0000000 0.0390444 0.0000000 4.0632353 10 Pr 3.3725219 0.0000000 -0.3941669 0.0000000 4.3501125 0.0000000 -0.7636327 0.0000000 3.7937307 11 Pr 4.6082028 0.0000000 -0.4892034 0.0000000 4.4405557 0.0000000 -0.1778823 0.0000000 4.2921130 12 Pr 3.1404919 0.0000000 0.2618641 0.0000000 4.3423798 0.0000000 0.5585142 0.0000000 3.5607191 13 Ti 4.5596632 0.0000000 0.8689404 0.0000000 6.2848807 0.0000000 1.3485343 0.0000000 5.6976178 14 Ti 5.2585858 0.0000000 0.1074554 0.0000000 6.2845634 0.0000000 0.1468620 0.0000000 5.3756567 15 Ti 5.2585858 0.0000000 0.1074554 0.0000000 6.2845634 0.0000000 0.1468620 0.0000000 5.3756567 16 Ti 4.5596632 0.0000000 0.8689404 0.0000000 6.2848807 0.0000000 1.3485343 0.0000000 5.6976178 17 S -1.7778229 0.0000000 0.1745261 0.0000000 -1.5119033 0.0000000 -0.0891631 0.0000000 -3.3902523 18 S -2.5695164 0.0000000 -0.5673908 0.0000000 -2.7790483 0.0000000 -0.3548041 0.0000000 -2.4584110 19 S -2.4285116 0.0000000 -0.0834268 0.0000000 -2.5873119 0.0000000 -0.1990594 0.0000000 -2.9180102 20 S -2.5646699 0.0000000 -0.5747363 0.0000000 -2.1748645 0.0000000 -0.7469787 0.0000000 -2.7342717 21 S -2.5695164 0.0000000 -0.5673908 0.0000000 -2.7790483 0.0000000 -0.3548041 0.0000000 -2.4584110 22 S -2.7113860 0.0000000 0.1273141 0.0000000 -2.7636472 0.0000000 0.3074964 0.0000000 -2.1833971 23 S -2.9319636 0.0000000 -0.0387625 0.0000000 -2.8385244 0.0000000 -0.1285395 0.0000000 -2.1191214 24 S -2.7113860 0.0000000 0.1273141 0.0000000 -2.7636472 0.0000000 0.3074964 0.0000000 -2.1833971 25 S -2.6087195 0.0000000 -0.2622474 0.0000000 -2.7485372 0.0000000 -0.0993999 0.0000000 -2.7783143 26 S -1.7778229 0.0000000 0.1745261 0.0000000 -1.5119033 0.0000000 -0.0891631 0.0000000 -3.3902523 27 S -2.5646699 0.0000000 -0.5747363 0.0000000 -2.1748645 0.0000000 -0.7469787 0.0000000 -2.7342717 28 S -2.4285116 0.0000000 -0.0834268 0.0000000 -2.5873119 0.0000000 -0.1990594 0.0000000 -2.9180102 29 S -2.9319636 0.0000000 -0.0387625 0.0000000 -2.8385244 0.0000000 -0.1285395 0.0000000 -2.1191214 30 S -2.6087195 0.0000000 -0.2622474 0.0000000 -2.7485372 0.0000000 -0.0993999 0.0000000 -2.7783143 31 O -1.9698254 0.0000000 0.0299089 0.0000000 -5.6860577 0.0000000 -0.0815843 0.0000000 -1.7499840 32 O -4.4918874 0.0000000 -0.6465023 0.0000000 -1.9067952 0.0000000 -1.0498344 0.0000000 -2.4771152 33 O -1.6282987 0.0000000 -0.0423750 0.0000000 -5.9500276 0.0000000 -0.0191858 0.0000000 -2.0370132 34 O -2.8012855 0.0000000 -0.2316051 0.0000000 -3.0342910 0.0000000 -0.2350677 0.0000000 -3.4124020 35 O -3.4094022 0.0000000 -0.8678251 0.0000000 -2.3602187 0.0000000 -0.7665134 0.0000000 -3.0103818 36 O -2.8012855 0.0000000 -0.2316051 0.0000000 -3.0342910 0.0000000 -0.2350677 0.0000000 -3.4124020 37 O -3.4094022 0.0000000 -0.8678251 0.0000000 -2.3602187 0.0000000 -0.7665134 0.0000000 -3.0103818 38 O -2.6734138 0.0000000 1.2320491 0.0000000 -1.6906027 0.0000000 1.3885741 0.0000000 -3.9009511 39 O -2.6734138 0.0000000 1.2320491 0.0000000 -1.6906027 0.0000000 1.3885741 0.0000000 -3.9009511 40 O -4.4918874 0.0000000 -0.6465023 0.0000000 -1.9067952 0.0000000 -1.0498344 0.0000000 -2.4771152 41 O -1.9698254 0.0000000 0.0299089 0.0000000 -5.6860577 0.0000000 -0.0815843 0.0000000 -1.7499840 42 O -1.6282987 0.0000000 -0.0423750 0.0000000 -5.9500276 0.0000000 -0.0191858 0.0000000 -2.0370132 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 4, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 10, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 16, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 19, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 40, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 52, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 58, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 67, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 91, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 94, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 100, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 103, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 112, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:54:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:54:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 3.891594029999999 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): 1 Pr 0.59441026787942 0.25000000000000 0.11889889245038 140.908 2 Pr 0.06366377628142 0.75000000000000 0.89163420040607 140.908 3 Pr 0.40558973212058 0.75000000000000 0.88110110754962 140.908 4 Pr 0.71922422064578 0.75000000000000 0.87596143679456 140.908 5 Pr 0.97650127488437 0.25000000000000 0.37562520108085 140.908 6 Pr 0.47471702998397 0.75000000000000 0.29098928505107 140.908 7 Pr 0.67840389491010 0.75000000000000 0.52649940821397 140.908 8 Pr 0.28077577935422 0.25000000000000 0.12403856320544 140.908 9 Pr 0.32159610508990 0.25000000000000 0.47350059178603 140.908 10 Pr 0.93633622371858 0.25000000000000 0.10836579959393 140.908 11 Pr 0.52528297001603 0.25000000000000 0.70901071494893 140.908 12 Pr 0.02349872511563 0.75000000000000 0.62437479891915 140.908 13 Ti 0.77996301217351 0.75000000000000 0.23466263346419 47.867 14 Ti 0.79643590901621 0.25000000000000 0.68572467601489 47.867 15 Ti 0.20356409098379 0.75000000000000 0.31427532398511 47.867 16 Ti 0.22003698782649 0.25000000000000 0.76533736653581 47.867 17 S 0.79710007110588 0.75000000000000 0.37435156335811 32.065 18 S 0.55321969021130 0.25000000000000 0.41975504789828 32.065 19 S 0.88337581733518 0.25000000000000 0.53563960775435 32.065 20 S 0.99870680722603 0.75000000000000 0.24448794139890 32.065 21 S 0.44678030978870 0.75000000000000 0.58024495210172 32.065 22 S 0.90078660532957 0.25000000000000 0.93224119221290 32.065 23 S 0.42147332620861 0.75000000000000 0.05890214438461 32.065 24 S 0.09921339467043 0.75000000000000 0.06775880778710 32.065 25 S 0.23397664030867 0.25000000000000 0.93067151365738 32.065 26 S 0.20289992889412 0.25000000000000 0.62564843664189 32.065 27 S 0.00129319277397 0.25000000000000 0.75551205860110 32.065 28 S 0.11662418266482 0.75000000000000 0.46436039224566 32.065 29 S 0.57852667379139 0.25000000000000 0.94109785561539 32.065 30 S 0.76602335969133 0.75000000000000 0.06932848634262 32.065 31 O 0.81923477167626 0.75000000000000 0.66867399843392 15.999 32 O 0.37127900125357 0.25000000000000 0.78968644697290 15.999 33 O 0.20331918890969 0.75000000000000 0.78382326872796 15.999 34 O 0.54751963330683 0.75000000000000 0.78637241212289 15.999 35 O 0.66550099846915 0.25000000000000 0.61308168665447 15.999 36 O 0.45248036669317 0.25000000000000 0.21362758787711 15.999 37 O 0.33449900153085 0.75000000000000 0.38691831334553 15.999 38 O 0.72660734011145 0.25000000000000 0.77661049645217 15.999 39 O 0.27339265988855 0.75000000000000 0.22338950354783 15.999 40 O 0.62872099874643 0.75000000000000 0.21031355302710 15.999 41 O 0.18076522832374 0.25000000000000 0.33132600156608 15.999 42 O 0.79668081109031 0.25000000000000 0.21617673127204 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.955758840028555 0.000000000000000 0.000000000000000 b 0.000000000000000 11.674782089999997 0.000000000000000 c -2.187917281848211 0.000000000000000 16.287905871858218 Atomic positions (fractional): 1 Pr 0.59441026787942 0.08333333333333 0.11889889245038 140.908 > 1 2 Pr 0.59441026787942 0.41666666666667 0.11889889245038 140.908 > 1 3 Pr 0.59441026787942 0.75000000000000 0.11889889245038 140.908 > 1 4 Pr 0.06366377628142 0.25000000000000 0.89163420040607 140.908 > 4 5 Pr 0.06366377628142 0.58333333333333 0.89163420040607 140.908 > 4 6 Pr 0.06366377628142 0.91666666666667 0.89163420040607 140.908 > 4 7 Pr 0.40558973212058 0.25000000000000 0.88110110754962 140.908 > 7 8 Pr 0.40558973212058 0.58333333333333 0.88110110754962 140.908 > 7 9 Pr 0.40558973212058 0.91666666666667 0.88110110754962 140.908 > 7 10 Pr 0.71922422064578 0.25000000000000 0.87596143679456 140.908 > 10 11 Pr 0.71922422064578 0.58333333333333 0.87596143679456 140.908 > 10 12 Pr 0.71922422064578 0.91666666666667 0.87596143679456 140.908 > 10 13 Pr 0.97650127488437 0.08333333333333 0.37562520108085 140.908 > 13 14 Pr 0.97650127488437 0.41666666666667 0.37562520108085 140.908 > 13 15 Pr 0.97650127488437 0.75000000000000 0.37562520108085 140.908 > 13 16 Pr 0.47471702998397 0.25000000000000 0.29098928505107 140.908 > 16 17 Pr 0.47471702998397 0.58333333333333 0.29098928505107 140.908 > 16 18 Pr 0.47471702998397 0.91666666666667 0.29098928505107 140.908 > 16 19 Pr 0.67840389491010 0.25000000000000 0.52649940821397 140.908 > 19 20 Pr 0.67840389491010 0.58333333333333 0.52649940821397 140.908 > 19 21 Pr 0.67840389491010 0.91666666666667 0.52649940821397 140.908 > 19 22 Pr 0.28077577935422 0.08333333333333 0.12403856320544 140.908 > 22 23 Pr 0.28077577935422 0.41666666666667 0.12403856320544 140.908 > 22 24 Pr 0.28077577935422 0.75000000000000 0.12403856320544 140.908 > 22 25 Pr 0.32159610508990 0.08333333333333 0.47350059178603 140.908 > 25 26 Pr 0.32159610508990 0.41666666666667 0.47350059178603 140.908 > 25 27 Pr 0.32159610508990 0.75000000000000 0.47350059178603 140.908 > 25 28 Pr 0.93633622371858 0.08333333333333 0.10836579959393 140.908 > 28 29 Pr 0.93633622371858 0.41666666666667 0.10836579959393 140.908 > 28 30 Pr 0.93633622371858 0.75000000000000 0.10836579959393 140.908 > 28 31 Pr 0.52528297001603 0.08333333333333 0.70901071494893 140.908 > 31 32 Pr 0.52528297001603 0.41666666666667 0.70901071494893 140.908 > 31 33 Pr 0.52528297001603 0.75000000000000 0.70901071494893 140.908 > 31 34 Pr 0.02349872511563 0.25000000000000 0.62437479891915 140.908 > 34 35 Pr 0.02349872511563 0.58333333333333 0.62437479891915 140.908 > 34 36 Pr 0.02349872511563 0.91666666666667 0.62437479891915 140.908 > 34 37 Ti 0.77996301217351 0.25000000000000 0.23466263346419 47.867 > 37 38 Ti 0.77996301217351 0.58333333333333 0.23466263346419 47.867 > 37 39 Ti 0.77996301217351 0.91666666666667 0.23466263346419 47.867 > 37 40 Ti 0.79643590901621 0.08333333333333 0.68572467601489 47.867 > 40 41 Ti 0.79643590901621 0.41666666666667 0.68572467601489 47.867 > 40 42 Ti 0.79643590901621 0.75000000000000 0.68572467601489 47.867 > 40 43 Ti 0.20356409098379 0.25000000000000 0.31427532398511 47.867 > 43 44 Ti 0.20356409098379 0.58333333333333 0.31427532398511 47.867 > 43 45 Ti 0.20356409098379 0.91666666666667 0.31427532398511 47.867 > 43 46 Ti 0.22003698782649 0.08333333333333 0.76533736653581 47.867 > 46 47 Ti 0.22003698782649 0.41666666666667 0.76533736653581 47.867 > 46 48 Ti 0.22003698782649 0.75000000000000 0.76533736653581 47.867 > 46 49 S 0.79710007110588 0.25000000000000 0.37435156335811 32.065 > 49 50 S 0.79710007110588 0.58333333333333 0.37435156335811 32.065 > 49 51 S 0.79710007110588 0.91666666666667 0.37435156335811 32.065 > 49 52 S 0.55321969021130 0.08333333333333 0.41975504789828 32.065 > 52 53 S 0.55321969021130 0.41666666666667 0.41975504789828 32.065 > 52 54 S 0.55321969021130 0.75000000000000 0.41975504789828 32.065 > 52 55 S 0.88337581733518 0.08333333333333 0.53563960775435 32.065 > 55 56 S 0.88337581733518 0.41666666666667 0.53563960775435 32.065 > 55 57 S 0.88337581733518 0.75000000000000 0.53563960775435 32.065 > 55 58 S 0.99870680722603 0.25000000000000 0.24448794139890 32.065 > 58 59 S 0.99870680722603 0.58333333333333 0.24448794139890 32.065 > 58 60 S 0.99870680722603 0.91666666666667 0.24448794139890 32.065 > 58 61 S 0.44678030978870 0.25000000000000 0.58024495210172 32.065 > 61 62 S 0.44678030978870 0.58333333333333 0.58024495210172 32.065 > 61 63 S 0.44678030978870 0.91666666666667 0.58024495210172 32.065 > 61 64 S 0.90078660532957 0.08333333333333 0.93224119221290 32.065 > 64 65 S 0.90078660532957 0.41666666666667 0.93224119221290 32.065 > 64 66 S 0.90078660532957 0.75000000000000 0.93224119221290 32.065 > 64 67 S 0.42147332620861 0.25000000000000 0.05890214438461 32.065 > 67 68 S 0.42147332620861 0.58333333333333 0.05890214438461 32.065 > 67 69 S 0.42147332620861 0.91666666666667 0.05890214438461 32.065 > 67 70 S 0.09921339467043 0.25000000000000 0.06775880778710 32.065 > 70 71 S 0.09921339467043 0.58333333333333 0.06775880778710 32.065 > 70 72 S 0.09921339467043 0.91666666666667 0.06775880778710 32.065 > 70 73 S 0.23397664030867 0.08333333333333 0.93067151365738 32.065 > 73 74 S 0.23397664030867 0.41666666666667 0.93067151365738 32.065 > 73 75 S 0.23397664030867 0.75000000000000 0.93067151365738 32.065 > 73 76 S 0.20289992889412 0.08333333333333 0.62564843664189 32.065 > 76 77 S 0.20289992889412 0.41666666666667 0.62564843664189 32.065 > 76 78 S 0.20289992889412 0.75000000000000 0.62564843664189 32.065 > 76 79 S 0.00129319277397 0.08333333333333 0.75551205860110 32.065 > 79 80 S 0.00129319277397 0.41666666666667 0.75551205860110 32.065 > 79 81 S 0.00129319277397 0.75000000000000 0.75551205860110 32.065 > 79 82 S 0.11662418266482 0.25000000000000 0.46436039224566 32.065 > 82 83 S 0.11662418266482 0.58333333333333 0.46436039224566 32.065 > 82 84 S 0.11662418266482 0.91666666666667 0.46436039224566 32.065 > 82 85 S 0.57852667379139 0.08333333333333 0.94109785561539 32.065 > 85 86 S 0.57852667379139 0.41666666666667 0.94109785561539 32.065 > 85 87 S 0.57852667379139 0.75000000000000 0.94109785561539 32.065 > 85 88 S 0.76602335969133 0.25000000000000 0.06932848634262 32.065 > 88 89 S 0.76602335969133 0.58333333333333 0.06932848634262 32.065 > 88 90 S 0.76602335969133 0.91666666666667 0.06932848634262 32.065 > 88 91 O 0.81923477167626 0.25000000000000 0.66867399843392 15.999 > 91 92 O 0.81923477167626 0.58333333333333 0.66867399843392 15.999 > 91 93 O 0.81923477167626 0.91666666666667 0.66867399843392 15.999 > 91 94 O 0.37127900125357 0.08333333333333 0.78968644697290 15.999 > 94 95 O 0.37127900125357 0.41666666666667 0.78968644697290 15.999 > 94 96 O 0.37127900125357 0.75000000000000 0.78968644697290 15.999 > 94 97 O 0.20331918890969 0.25000000000000 0.78382326872796 15.999 > 97 98 O 0.20331918890969 0.58333333333333 0.78382326872796 15.999 > 97 99 O 0.20331918890969 0.91666666666667 0.78382326872796 15.999 > 97 100 O 0.54751963330683 0.25000000000000 0.78637241212289 15.999 > 100 101 O 0.54751963330683 0.58333333333333 0.78637241212289 15.999 > 100 102 O 0.54751963330683 0.91666666666667 0.78637241212289 15.999 > 100 103 O 0.66550099846915 0.08333333333333 0.61308168665447 15.999 > 103 104 O 0.66550099846915 0.41666666666667 0.61308168665447 15.999 > 103 105 O 0.66550099846915 0.75000000000000 0.61308168665447 15.999 > 103 106 O 0.45248036669317 0.08333333333333 0.21362758787711 15.999 > 106 107 O 0.45248036669317 0.41666666666667 0.21362758787711 15.999 > 106 108 O 0.45248036669317 0.75000000000000 0.21362758787711 15.999 > 106 109 O 0.33449900153085 0.25000000000000 0.38691831334553 15.999 > 109 110 O 0.33449900153085 0.58333333333333 0.38691831334553 15.999 > 109 111 O 0.33449900153085 0.91666666666667 0.38691831334553 15.999 > 109 112 O 0.72660734011145 0.08333333333333 0.77661049645217 15.999 > 112 113 O 0.72660734011145 0.41666666666667 0.77661049645217 15.999 > 112 114 O 0.72660734011145 0.75000000000000 0.77661049645217 15.999 > 112 115 O 0.27339265988855 0.25000000000000 0.22338950354783 15.999 > 115 116 O 0.27339265988855 0.58333333333333 0.22338950354783 15.999 > 115 117 O 0.27339265988855 0.91666666666667 0.22338950354783 15.999 > 115 118 O 0.62872099874643 0.25000000000000 0.21031355302710 15.999 > 118 119 O 0.62872099874643 0.58333333333333 0.21031355302710 15.999 > 118 120 O 0.62872099874643 0.91666666666667 0.21031355302710 15.999 > 118 121 O 0.18076522832374 0.08333333333333 0.33132600156608 15.999 > 121 122 O 0.18076522832374 0.41666666666667 0.33132600156608 15.999 > 121 123 O 0.18076522832374 0.75000000000000 0.33132600156608 15.999 > 121 124 O 0.79668081109031 0.08333333333333 0.21617673127204 15.999 > 124 125 O 0.79668081109031 0.41666666666667 0.21617673127204 15.999 > 124 126 O 0.79668081109031 0.75000000000000 0.21617673127204 15.999 > 124 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3347147 0.0000000 0.2989719 0.0000000 7.7042364 0.0000000 0.2989728 0.0000000 7.7791667 -------------------------- Born effective charges -------------------------- 1 Pr 4.6395429 0.0000000 0.5430852 0.0000000 3.8914585 0.0000000 0.4653667 0.0000000 3.8933023 2 Pr 3.3725219 0.0000000 -0.3941669 0.0000000 4.3501125 0.0000000 -0.7636327 0.0000000 3.7937307 3 Pr 4.6395429 0.0000000 0.5430852 0.0000000 3.8914585 0.0000000 0.4653667 0.0000000 3.8933023 4 Pr 4.4931412 0.0000000 0.3708520 0.0000000 4.2506818 0.0000000 0.4572531 0.0000000 4.4932503 5 Pr 3.1404919 0.0000000 0.2618641 0.0000000 4.3423798 0.0000000 0.5585142 0.0000000 3.5607191 6 Pr 4.6082028 0.0000000 -0.4892034 0.0000000 4.4405557 0.0000000 -0.1778823 0.0000000 4.2921130 7 Pr 4.4945531 0.0000000 0.4822464 0.0000000 4.1871975 0.0000000 0.0390444 0.0000000 4.0632353 8 Pr 4.4931412 0.0000000 0.3708520 0.0000000 4.2506818 0.0000000 0.4572531 0.0000000 4.4932503 9 Pr 4.4945531 0.0000000 0.4822464 0.0000000 4.1871975 0.0000000 0.0390444 0.0000000 4.0632353 10 Pr 3.3725219 0.0000000 -0.3941669 0.0000000 4.3501125 0.0000000 -0.7636327 0.0000000 3.7937307 11 Pr 4.6082028 0.0000000 -0.4892034 0.0000000 4.4405557 0.0000000 -0.1778823 0.0000000 4.2921130 12 Pr 3.1404919 0.0000000 0.2618641 0.0000000 4.3423798 0.0000000 0.5585142 0.0000000 3.5607191 13 Ti 4.5596632 0.0000000 0.8689404 0.0000000 6.2848807 0.0000000 1.3485343 0.0000000 5.6976178 14 Ti 5.2585858 0.0000000 0.1074554 0.0000000 6.2845634 0.0000000 0.1468620 0.0000000 5.3756567 15 Ti 5.2585858 0.0000000 0.1074554 0.0000000 6.2845634 0.0000000 0.1468620 0.0000000 5.3756567 16 Ti 4.5596632 0.0000000 0.8689404 0.0000000 6.2848807 0.0000000 1.3485343 0.0000000 5.6976178 17 S -1.7778229 0.0000000 0.1745261 0.0000000 -1.5119033 0.0000000 -0.0891631 0.0000000 -3.3902523 18 S -2.5695164 0.0000000 -0.5673908 0.0000000 -2.7790483 0.0000000 -0.3548041 0.0000000 -2.4584110 19 S -2.4285116 0.0000000 -0.0834268 0.0000000 -2.5873119 0.0000000 -0.1990594 0.0000000 -2.9180102 20 S -2.5646699 0.0000000 -0.5747363 0.0000000 -2.1748645 0.0000000 -0.7469787 0.0000000 -2.7342717 21 S -2.5695164 0.0000000 -0.5673908 0.0000000 -2.7790483 0.0000000 -0.3548041 0.0000000 -2.4584110 22 S -2.7113860 0.0000000 0.1273141 0.0000000 -2.7636472 0.0000000 0.3074964 0.0000000 -2.1833971 23 S -2.9319636 0.0000000 -0.0387625 0.0000000 -2.8385244 0.0000000 -0.1285395 0.0000000 -2.1191214 24 S -2.7113860 0.0000000 0.1273141 0.0000000 -2.7636472 0.0000000 0.3074964 0.0000000 -2.1833971 25 S -2.6087195 0.0000000 -0.2622474 0.0000000 -2.7485372 0.0000000 -0.0993999 0.0000000 -2.7783143 26 S -1.7778229 0.0000000 0.1745261 0.0000000 -1.5119033 0.0000000 -0.0891631 0.0000000 -3.3902523 27 S -2.5646699 0.0000000 -0.5747363 0.0000000 -2.1748645 0.0000000 -0.7469787 0.0000000 -2.7342717 28 S -2.4285116 0.0000000 -0.0834268 0.0000000 -2.5873119 0.0000000 -0.1990594 0.0000000 -2.9180102 29 S -2.9319636 0.0000000 -0.0387625 0.0000000 -2.8385244 0.0000000 -0.1285395 0.0000000 -2.1191214 30 S -2.6087195 0.0000000 -0.2622474 0.0000000 -2.7485372 0.0000000 -0.0993999 0.0000000 -2.7783143 31 O -1.9698254 0.0000000 0.0299089 0.0000000 -5.6860577 0.0000000 -0.0815843 0.0000000 -1.7499840 32 O -4.4918874 0.0000000 -0.6465023 0.0000000 -1.9067952 0.0000000 -1.0498344 0.0000000 -2.4771152 33 O -1.6282987 0.0000000 -0.0423750 0.0000000 -5.9500276 0.0000000 -0.0191858 0.0000000 -2.0370132 34 O -2.8012855 0.0000000 -0.2316051 0.0000000 -3.0342910 0.0000000 -0.2350677 0.0000000 -3.4124020 35 O -3.4094022 0.0000000 -0.8678251 0.0000000 -2.3602187 0.0000000 -0.7665134 0.0000000 -3.0103818 36 O -2.8012855 0.0000000 -0.2316051 0.0000000 -3.0342910 0.0000000 -0.2350677 0.0000000 -3.4124020 37 O -3.4094022 0.0000000 -0.8678251 0.0000000 -2.3602187 0.0000000 -0.7665134 0.0000000 -3.0103818 38 O -2.6734138 0.0000000 1.2320491 0.0000000 -1.6906027 0.0000000 1.3885741 0.0000000 -3.9009511 39 O -2.6734138 0.0000000 1.2320491 0.0000000 -1.6906027 0.0000000 1.3885741 0.0000000 -3.9009511 40 O -4.4918874 0.0000000 -0.6465023 0.0000000 -1.9067952 0.0000000 -1.0498344 0.0000000 -2.4771152 41 O -1.9698254 0.0000000 0.0299089 0.0000000 -5.6860577 0.0000000 -0.0815843 0.0000000 -1.7499840 42 O -1.6282987 0.0000000 -0.0423750 0.0000000 -5.9500276 0.0000000 -0.0191858 0.0000000 -2.0370132 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 13 3 ] 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: 0.46, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/49) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 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 1.552 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.434 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.704 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.267 ( 0.000 0.000 0.000) 0.000 10.670 ( 0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.554 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.890 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 12.570 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 12.893 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 13.338 ( 0.000 0.000 0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 13.439 ( 0.000 0.000 0.000) 0.000 14.360 ( 0.000 0.000 0.000) 0.000 14.457 ( 0.000 0.000 0.000) 0.000 18.850 ( 0.000 0.000 0.000) 0.000 19.600 ( 0.000 0.000 0.000) 0.000 20.832 ( 0.000 0.000 0.000) 0.000 20.872 ( 0.000 0.000 0.000) 0.000 21.663 ( 0.000 0.000 0.000) 0.000 22.078 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/49) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 26.680 0.000 8.094) 27.881 0.706 ( 31.312 0.000 6.751) 32.032 1.083 ( 47.685 0.000 4.187) 47.869 1.501 ( -5.175 0.000 2.068) 5.573 1.597 ( 4.814 0.000 -5.795) 7.534 1.689 ( -1.407 0.000 -6.050) 6.212 1.732 ( 0.039 0.000 -0.896) 0.896 1.738 ( -10.233 0.000 -1.420) 10.331 1.866 ( -1.440 0.000 -4.393) 4.623 1.929 ( -5.489 0.000 11.061) 12.348 2.201 ( 4.538 0.000 9.074) 10.145 2.207 ( -7.890 0.000 2.794) 8.370 2.264 ( -7.092 0.000 -1.071) 7.172 2.284 ( -2.157 0.000 -11.596) 11.795 2.357 ( -4.405 0.000 -2.852) 5.248 2.437 ( 2.954 0.000 7.078) 7.670 2.585 ( -5.740 0.000 1.318) 5.889 2.685 ( 0.729 0.000 1.618) 1.775 2.718 ( -3.511 0.000 -7.461) 8.246 2.744 ( -2.458 0.000 4.008) 4.701 2.813 ( 4.729 0.000 1.962) 5.120 2.948 ( 7.998 0.000 -14.919) 16.928 2.968 ( 1.854 0.000 -0.307) 1.879 2.992 ( 1.865 0.000 -4.880) 5.225 3.050 ( -1.047 0.000 -0.156) 1.059 3.067 ( -13.412 0.000 -6.564) 14.932 3.126 ( 2.111 0.000 2.423) 3.214 3.195 ( -8.184 0.000 3.722) 8.991 3.218 ( -0.602 0.000 -1.474) 1.592 3.295 ( -1.238 0.000 18.469) 18.511 3.358 ( 1.630 0.000 -5.681) 5.911 3.583 ( 0.893 0.000 0.589) 1.070 3.614 ( -7.256 0.000 0.199) 7.258 3.617 ( -0.161 0.000 -0.483) 0.509 3.759 ( 0.896 0.000 4.962) 5.042 3.853 ( 6.044 0.000 -1.352) 6.194 3.932 ( 1.005 0.000 4.988) 5.088 4.253 ( 0.393 0.000 -2.098) 2.135 4.495 ( 0.791 0.000 -0.976) 1.257 4.644 ( 3.344 0.000 6.697) 7.485 4.720 ( -6.097 0.000 0.655) 6.132 4.892 ( -1.765 0.000 -4.498) 4.832 4.990 ( -0.947 0.000 -1.331) 1.634 5.056 ( -5.554 0.000 3.440) 6.533 5.208 ( -1.196 0.000 2.745) 2.995 5.281 ( -0.235 0.000 -5.183) 5.188 5.363 ( 3.478 0.000 2.471) 4.267 5.515 ( -0.083 0.000 0.037) 0.091 5.537 ( -4.780 0.000 -9.855) 10.953 5.594 ( -0.070 0.000 -0.084) 0.109 5.712 ( 0.268 0.000 -0.077) 0.279 5.820 ( 0.271 0.000 0.254) 0.371 5.834 ( 7.763 0.000 0.622) 7.788 5.946 ( 0.027 0.000 1.083) 1.084 6.120 ( 4.928 0.000 5.574) 7.440 6.134 ( 0.162 0.000 -0.078) 0.180 6.177 ( -0.099 0.000 -0.110) 0.148 6.216 ( -0.918 0.000 1.598) 1.843 6.271 ( -3.877 0.000 -2.622) 4.680 6.300 ( -0.680 0.000 0.004) 0.680 6.392 ( -2.316 0.000 -3.680) 4.348 6.415 ( 0.225 0.000 0.099) 0.246 6.436 ( 0.176 0.000 -0.015) 0.176 6.517 ( -0.033 0.000 1.854) 1.854 6.552 ( -0.315 0.000 0.029) 0.316 6.675 ( 0.415 0.000 -0.045) 0.418 6.758 ( 1.568 0.000 -0.065) 1.569 6.766 ( 4.331 0.000 -2.905) 5.215 6.800 ( 5.197 0.000 -1.002) 5.293 6.847 ( 0.758 0.000 -3.724) 3.801 6.870 ( -2.015 0.000 0.046) 2.016 6.933 ( 3.881 0.000 -7.421) 8.374 6.962 ( 0.512 0.000 0.015) 0.512 7.063 ( -3.601 0.000 5.164) 6.296 7.195 ( -2.716 0.000 -5.099) 5.777 7.289 ( 1.813 0.000 0.279) 1.834 7.529 ( -3.692 0.000 12.875) 13.394 7.650 ( 3.518 0.000 -1.195) 3.716 7.764 ( 1.508 0.000 1.166) 1.906 7.885 ( -1.555 0.000 4.040) 4.328 7.923 ( 1.265 0.000 6.271) 6.397 7.969 ( 0.703 0.000 -5.133) 5.180 8.012 ( -1.325 0.000 5.064) 5.235 8.113 ( -0.284 0.000 -0.004) 0.284 8.378 ( -0.524 0.000 0.129) 0.539 8.388 ( -0.787 0.000 -0.137) 0.799 8.437 ( -2.142 0.000 -0.143) 2.147 8.592 ( -11.289 0.000 1.319) 11.366 8.999 ( 0.789 0.000 0.108) 0.796 9.027 ( 0.732 0.000 -0.095) 0.738 9.092 ( 0.544 0.000 -1.047) 1.180 9.113 ( 0.452 0.000 0.854) 0.966 9.166 ( -0.273 0.000 -0.049) 0.277 9.171 ( -0.456 0.000 0.044) 0.458 9.283 ( 4.611 0.000 -0.815) 4.683 9.392 ( -0.236 0.000 0.437) 0.497 9.456 ( -2.736 0.000 0.332) 2.756 9.645 ( -1.763 0.000 2.094) 2.737 10.378 ( 11.817 0.000 -0.872) 11.849 10.598 ( 1.551 0.000 1.523) 2.174 10.725 ( -0.387 0.000 0.341) 0.515 11.065 ( 2.751 0.000 -2.042) 3.426 11.297 ( -1.871 0.000 -1.529) 2.417 11.423 ( -7.927 0.000 -0.188) 7.930 11.552 ( 0.009 0.000 -2.993) 2.993 11.620 ( -1.639 0.000 -2.304) 2.827 11.823 ( 1.947 0.000 2.380) 3.075 11.935 ( 3.302 0.000 -2.023) 3.873 12.198 ( 0.027 0.000 -0.011) 0.029 12.205 ( 0.291 0.000 0.012) 0.292 12.477 ( -0.565 0.000 -3.623) 3.666 12.676 ( 6.073 0.000 -1.066) 6.166 12.750 ( 0.813 0.000 -1.765) 1.943 12.887 ( -0.415 0.000 0.010) 0.415 12.893 ( -0.387 0.000 -0.011) 0.388 13.342 ( 0.283 0.000 -0.007) 0.283 13.353 ( 0.264 0.000 0.007) 0.264 13.368 ( -7.167 0.000 2.953) 7.751 14.464 ( 0.914 0.000 -0.759) 1.188 14.738 ( 1.428 0.000 7.300) 7.438 19.060 ( -3.795 0.000 25.977) 26.253 19.547 ( -3.180 0.000 -6.270) 7.031 21.001 ( 10.425 0.000 5.083) 11.599 21.442 ( -0.351 0.000 -20.480) 20.483 21.928 ( -1.898 0.000 0.771) 2.049 22.019 ( -5.004 0.000 4.083) 6.458 ======================= Grid point 2 (3/49) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 0.000 -0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 -0.000) 0.000 1.429 ( -0.000 0.000 -0.000) 0.000 1.618 ( 0.000 0.000 -0.000) 0.000 1.669 ( 0.000 0.000 -0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 -0.000) 0.000 1.961 ( 0.000 0.000 -0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.127 ( -0.000 0.000 -0.000) 0.000 2.154 ( 0.000 0.000 -0.000) 0.000 2.196 ( 0.000 0.000 -0.000) 0.000 2.333 ( 0.000 0.000 -0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 -0.000) 0.000 2.716 ( 0.000 0.000 -0.000) 0.000 2.744 ( -0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 -0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 -0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.109 ( -0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 -0.000) 0.000 3.201 ( 0.000 0.000 -0.000) 0.000 3.203 ( -0.000 0.000 -0.000) 0.000 3.266 ( 0.000 0.000 -0.000) 0.000 3.356 ( 0.000 0.000 -0.000) 0.000 3.531 ( 0.000 0.000 -0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 -0.000) 0.000 3.815 ( 0.000 0.000 -0.000) 0.000 3.915 ( 0.000 0.000 -0.000) 0.000 4.001 ( 0.000 0.000 -0.000) 0.000 4.213 ( 0.000 0.000 -0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 -0.000) 0.000 4.758 ( 0.000 0.000 -0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 -0.000) 0.000 4.987 ( 0.000 0.000 -0.000) 0.000 5.228 ( 0.000 0.000 -0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.461 ( -0.000 0.000 -0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 -0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 -0.000) 0.000 5.919 ( 0.000 0.000 -0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 -0.000) 0.000 6.175 ( 0.000 0.000 -0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 -0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 -0.000) 0.000 6.350 ( 0.000 0.000 -0.000) 0.000 6.418 ( 0.000 0.000 -0.000) 0.000 6.439 ( 0.000 0.000 -0.000) 0.000 6.508 ( 0.000 0.000 -0.000) 0.000 6.548 ( 0.000 0.000 -0.000) 0.000 6.680 ( 0.000 0.000 -0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 -0.000) 0.000 6.834 ( 0.000 0.000 -0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 -0.000) 0.000 6.968 ( 0.000 0.000 -0.000) 0.000 6.991 ( 0.000 0.000 -0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 -0.000) 0.000 7.504 ( 0.000 0.000 -0.000) 0.000 7.698 ( 0.000 0.000 -0.000) 0.000 7.769 ( 0.000 0.000 -0.000) 0.000 7.905 ( -0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 7.987 ( -0.000 0.000 -0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 -0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 -0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 -0.000) 0.000 9.010 ( 0.000 0.000 -0.000) 0.000 9.036 ( 0.000 0.000 -0.000) 0.000 9.094 ( 0.000 0.000 -0.000) 0.000 9.115 ( 0.000 0.000 -0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 -0.000) 0.000 9.364 ( -0.000 0.000 0.000) 0.000 9.378 ( 0.000 0.000 -0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 -0.000) 0.000 10.514 ( 0.000 0.000 -0.000) 0.000 10.647 ( 0.000 0.000 -0.000) 0.000 10.730 ( -0.000 0.000 -0.000) 0.000 11.099 ( 0.000 0.000 -0.000) 0.000 11.223 ( 0.000 0.000 -0.000) 0.000 11.348 ( 0.000 0.000 -0.000) 0.000 11.549 ( 0.000 0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 -0.000) 0.000 11.972 ( 0.000 0.000 -0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 -0.000) 0.000 12.466 ( 0.000 0.000 -0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 12.838 ( 0.000 0.000 -0.000) 0.000 12.882 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 -0.000) 0.000 13.247 ( 0.000 0.000 -0.000) 0.000 13.346 ( 0.000 0.000 0.000) 0.000 13.356 ( 0.000 0.000 -0.000) 0.000 14.478 ( 0.000 0.000 -0.000) 0.000 14.769 ( 0.000 0.000 -0.000) 0.000 19.057 ( 0.000 0.000 -0.000) 0.000 19.493 ( 0.000 0.000 -0.000) 0.000 21.210 ( 0.000 0.000 -0.000) 0.000 21.342 ( 0.000 0.000 -0.000) 0.000 21.904 ( 0.000 0.000 -0.000) 0.000 21.959 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/49) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 30.764 0.000) 30.764 0.681 ( 0.000 33.549 0.000) 33.549 1.143 ( 0.000 55.895 0.000) 55.895 1.651 ( 0.000 2.528 0.000) 2.528 1.662 ( 0.000 10.862 0.000) 10.862 1.746 ( 0.000 12.269 0.000) 12.269 1.819 ( 0.000 6.621 0.000) 6.621 1.917 ( 0.000 -4.713 0.000) 4.713 2.068 ( 0.000 0.744 0.000) 0.744 2.221 ( 0.000 2.975 0.000) 2.975 2.306 ( 0.000 8.423 0.000) 8.423 2.380 ( 0.000 0.001 0.000) 0.001 2.395 ( 0.000 9.320 0.000) 9.320 2.513 ( 0.000 14.488 0.000) 14.488 2.550 ( 0.000 8.856 0.000) 8.856 2.642 ( 0.000 5.626 0.000) 5.626 2.739 ( 0.000 8.901 0.000) 8.901 2.782 ( 0.000 9.159 0.000) 9.159 2.900 ( 0.000 2.765 0.000) 2.765 2.930 ( 0.000 5.191 0.000) 5.191 2.963 ( 0.000 5.712 0.000) 5.712 2.982 ( 0.000 7.499 0.000) 7.499 3.068 ( 0.000 0.596 0.000) 0.596 3.087 ( 0.000 4.873 0.000) 4.873 3.123 ( 0.000 8.675 0.000) 8.675 3.195 ( 0.000 0.231 0.000) 0.231 3.324 ( 0.000 29.456 0.000) 29.456 3.431 ( 0.000 9.233 0.000) 9.233 3.450 ( 0.000 22.561 0.000) 22.561 3.534 ( 0.000 17.787 0.000) 17.787 3.649 ( 0.000 21.242 0.000) 21.242 3.742 ( 0.000 4.784 0.000) 4.784 3.831 ( 0.000 3.274 0.000) 3.274 3.881 ( 0.000 28.210 0.000) 28.210 3.982 ( 0.000 30.497 0.000) 30.497 4.180 ( 0.000 35.576 0.000) 35.576 4.215 ( 0.000 10.272 0.000) 10.272 4.362 ( 0.000 18.166 0.000) 18.166 4.467 ( 0.000 7.260 0.000) 7.260 4.593 ( 0.000 15.999 0.000) 15.999 4.861 ( 0.000 3.418 0.000) 3.418 4.970 ( 0.000 2.123 0.000) 2.123 5.049 ( 0.000 -1.943 0.000) 1.943 5.073 ( 0.000 14.578 0.000) 14.578 5.159 ( 0.000 0.897 0.000) 0.897 5.276 ( 0.000 -3.720 0.000) 3.720 5.351 ( 0.000 -0.654 0.000) 0.654 5.362 ( 0.000 -1.050 0.000) 1.050 5.567 ( 0.000 -0.279 0.000) 0.279 5.613 ( 0.000 5.100 0.000) 5.100 5.702 ( 0.000 7.049 0.000) 7.049 5.776 ( 0.000 -3.565 0.000) 3.565 5.888 ( 0.000 5.193 0.000) 5.193 5.965 ( 0.000 1.009 0.000) 1.009 6.000 ( 0.000 -1.104 0.000) 1.104 6.142 ( 0.000 -4.435 0.000) 4.435 6.246 ( 0.000 7.393 0.000) 7.393 6.324 ( 0.000 4.755 0.000) 4.755 6.335 ( 0.000 -2.303 0.000) 2.303 6.381 ( 0.000 -0.555 0.000) 0.555 6.447 ( 0.000 1.394 0.000) 1.394 6.468 ( 0.000 7.729 0.000) 7.729 6.510 ( 0.000 2.083 0.000) 2.083 6.529 ( 0.000 3.023 0.000) 3.023 6.590 ( 0.000 5.443 0.000) 5.443 6.722 ( 0.000 5.238 0.000) 5.238 6.751 ( 0.000 5.223 0.000) 5.223 6.785 ( 0.000 7.629 0.000) 7.629 6.842 ( 0.000 5.794 0.000) 5.794 6.876 ( 0.000 0.616 0.000) 0.616 6.962 ( 0.000 3.248 0.000) 3.248 6.979 ( 0.000 6.071 0.000) 6.071 7.004 ( 0.000 4.101 0.000) 4.101 7.102 ( 0.000 -0.929 0.000) 0.929 7.243 ( 0.000 -2.189 0.000) 2.189 7.341 ( 0.000 -1.693 0.000) 1.693 7.383 ( 0.000 -2.105 0.000) 2.105 7.619 ( 0.000 0.983 0.000) 0.983 7.638 ( 0.000 -1.122 0.000) 1.122 7.742 ( 0.000 1.184 0.000) 1.184 7.820 ( 0.000 -6.670 0.000) 6.670 7.928 ( 0.000 -3.217 0.000) 3.217 7.982 ( 0.000 -3.135 0.000) 3.135 8.090 ( 0.000 -15.745 0.000) 15.745 8.125 ( 0.000 0.593 0.000) 0.593 8.456 ( 0.000 -2.555 0.000) 2.555 8.609 ( 0.000 -15.509 0.000) 15.509 8.615 ( 0.000 -18.584 0.000) 18.584 8.830 ( 0.000 -9.156 0.000) 9.156 8.840 ( 0.000 -7.895 0.000) 7.895 9.011 ( 0.000 -3.799 0.000) 3.799 9.026 ( 0.000 -3.054 0.000) 3.054 9.370 ( 0.000 1.268 0.000) 1.268 9.404 ( 0.000 14.593 0.000) 14.593 9.417 ( 0.000 6.747 0.000) 6.747 9.484 ( 0.000 3.944 0.000) 3.944 9.717 ( 0.000 24.091 0.000) 24.091 10.308 ( 0.000 6.824 0.000) 6.824 10.342 ( 0.000 5.241 0.000) 5.241 10.646 ( 0.000 -8.413 0.000) 8.413 10.720 ( 0.000 5.335 0.000) 5.335 11.267 ( 0.000 -5.076 0.000) 5.076 11.331 ( 0.000 -4.875 0.000) 4.875 11.444 ( 0.000 -4.724 0.000) 4.724 11.623 ( 0.000 7.086 0.000) 7.086 11.664 ( 0.000 3.410 0.000) 3.410 11.814 ( 0.000 7.521 0.000) 7.521 11.963 ( 0.000 8.784 0.000) 8.784 12.460 ( 0.000 3.599 0.000) 3.599 12.494 ( 0.000 0.751 0.000) 0.751 12.690 ( 0.000 -0.650 0.000) 0.650 12.787 ( 0.000 30.851 0.000) 30.851 12.868 ( 0.000 19.423 0.000) 19.423 13.139 ( 0.000 23.341 0.000) 23.341 13.158 ( 0.000 21.287 0.000) 21.287 13.347 ( 0.000 -8.676 0.000) 8.676 13.366 ( 0.000 3.574 0.000) 3.574 14.285 ( 0.000 -11.796 0.000) 11.796 14.437 ( 0.000 8.927 0.000) 8.927 15.301 ( 0.000 20.122 0.000) 20.122 18.829 ( 0.000 -2.072 0.000) 2.072 19.464 ( 0.000 -12.597 0.000) 12.597 20.823 ( 0.000 -0.798 0.000) 0.798 20.852 ( 0.000 -1.718 0.000) 1.718 21.629 ( 0.000 -3.230 0.000) 3.230 21.993 ( 0.000 -7.772 0.000) 7.772 ======================= Grid point 6 (5/49) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 17.592 20.018 2.384) 26.756 0.844 ( 20.081 21.045 1.595) 29.132 1.542 ( 0.173 11.178 0.565) 11.193 1.614 ( 17.389 23.786 0.073) 29.464 1.719 ( 3.281 13.229 -2.601) 13.875 1.743 ( 1.983 7.757 -9.883) 12.719 1.828 ( -0.324 9.279 1.183) 9.360 1.928 ( -8.106 3.277 0.978) 8.798 2.017 ( -7.808 7.551 8.681) 13.905 2.059 ( 2.665 1.342 4.923) 5.756 2.204 ( -7.278 2.831 6.922) 10.436 2.313 ( -5.260 2.601 -7.814) 9.773 2.398 ( 2.326 10.371 -0.495) 10.640 2.464 ( -1.936 6.920 1.123) 7.273 2.550 ( -3.182 6.458 1.082) 7.280 2.589 ( -4.632 7.576 -3.553) 9.565 2.734 ( 1.170 5.063 2.134) 5.618 2.789 ( -3.515 9.221 -2.338) 10.142 2.861 ( -3.787 17.754 -2.626) 18.342 2.953 ( 0.148 5.012 -7.316) 8.869 2.978 ( 5.113 1.979 -0.102) 5.484 3.001 ( 1.045 9.302 0.769) 9.392 3.058 ( 0.822 5.091 -2.010) 5.535 3.152 ( 2.744 3.883 -0.763) 4.815 3.187 ( 3.448 6.394 3.310) 7.983 3.235 ( 2.513 6.056 5.908) 8.826 3.278 ( -7.821 14.482 0.522) 16.467 3.350 ( -3.620 21.728 -0.254) 22.029 3.423 ( -2.224 29.577 -0.870) 29.673 3.503 ( -4.891 17.815 0.794) 18.492 3.564 ( 1.727 22.970 -7.501) 24.225 3.748 ( 0.105 4.597 -0.896) 4.685 3.808 ( -3.586 27.088 2.095) 27.405 3.923 ( 1.185 21.748 -3.478) 22.056 3.977 ( 3.693 17.905 5.069) 18.972 4.101 ( -3.544 35.033 2.182) 35.279 4.201 ( -3.736 35.690 1.241) 35.906 4.281 ( -0.469 5.933 -0.745) 5.998 4.578 ( -0.298 5.237 -1.991) 5.610 4.645 ( 8.603 13.536 7.337) 17.637 4.749 ( -6.592 4.129 -0.822) 7.822 4.972 ( -1.682 2.925 -2.369) 4.123 4.986 ( -2.976 7.990 -2.534) 8.895 5.067 ( -3.159 3.670 2.144) 5.295 5.190 ( -1.182 -0.381 3.344) 3.567 5.259 ( 0.149 -1.213 -5.334) 5.473 5.329 ( 1.995 -2.225 2.248) 3.740 5.373 ( -0.483 -6.526 -1.449) 6.702 5.594 ( 0.579 6.154 0.032) 6.181 5.680 ( 2.281 2.419 -1.514) 3.653 5.700 ( -1.449 2.516 -3.266) 4.370 5.767 ( 4.508 -3.560 3.361) 6.655 5.895 ( 0.484 5.170 -0.328) 5.203 5.926 ( -1.610 -0.261 1.803) 2.431 6.071 ( 3.254 -2.036 1.948) 4.305 6.146 ( 0.695 -3.659 0.708) 3.791 6.218 ( -3.188 2.078 -1.458) 4.075 6.276 ( -1.638 7.613 -0.638) 7.814 6.338 ( -2.556 1.886 -0.163) 3.181 6.355 ( 0.141 3.045 -0.486) 3.086 6.399 ( -2.348 3.086 0.991) 4.002 6.435 ( -1.730 2.152 -0.171) 2.766 6.481 ( -0.982 4.424 -1.839) 4.890 6.560 ( -0.094 2.212 0.017) 2.214 6.634 ( 3.217 7.233 2.400) 8.272 6.728 ( 0.770 4.572 -1.769) 4.962 6.792 ( -0.170 4.501 -0.369) 4.519 6.834 ( 3.788 4.003 -0.114) 5.513 6.871 ( 2.174 3.018 -0.471) 3.749 6.873 ( 0.935 4.944 -0.090) 5.032 6.938 ( -1.158 4.752 1.317) 5.065 6.988 ( 1.180 4.146 -2.061) 4.778 7.014 ( 1.779 6.270 -2.378) 6.938 7.097 ( -0.191 3.175 2.641) 4.134 7.239 ( -2.870 2.524 -8.340) 9.174 7.268 ( 1.843 -1.942 0.555) 2.734 7.489 ( 1.244 -3.576 11.639) 12.240 7.624 ( 1.763 -0.674 -3.169) 3.688 7.740 ( 5.956 -4.763 0.335) 7.634 7.752 ( 0.465 -1.395 0.347) 1.511 7.871 ( 3.882 -4.935 4.178) 7.542 7.932 ( -0.149 -3.044 -2.541) 3.968 7.949 ( -0.519 -4.297 -0.368) 4.344 8.099 ( 0.311 -13.537 0.032) 13.540 8.124 ( 0.025 1.100 -0.101) 1.105 8.440 ( -1.630 -3.023 -0.243) 3.443 8.493 ( -9.299 -4.675 0.992) 10.456 8.594 ( -4.188 -12.253 -1.471) 13.033 8.780 ( -3.633 -15.002 0.528) 15.444 8.787 ( -4.026 -13.925 -0.215) 14.497 8.972 ( -2.270 -3.292 2.013) 4.477 8.978 ( -1.894 -3.499 -1.649) 4.307 9.315 ( -3.399 7.148 0.034) 7.915 9.381 ( 0.007 7.593 0.416) 7.604 9.413 ( -0.352 5.442 -0.256) 5.459 9.432 ( -5.126 6.199 -1.466) 8.177 9.689 ( -0.899 19.590 0.060) 19.611 10.035 ( -14.490 14.425 1.048) 20.473 10.523 ( 15.091 7.924 -0.486) 17.052 10.649 ( 0.575 2.432 0.769) 2.614 10.770 ( 1.405 2.888 0.647) 3.276 11.133 ( -5.802 1.530 -0.104) 6.001 11.275 ( 0.415 -3.786 -0.038) 3.809 11.442 ( -6.541 2.593 -1.879) 7.283 11.579 ( 0.157 2.614 -4.111) 4.874 11.708 ( 1.450 6.801 2.442) 7.371 11.836 ( 0.658 5.009 3.948) 6.412 11.956 ( 0.296 6.770 -4.053) 7.896 12.448 ( -0.828 4.517 -6.204) 7.719 12.539 ( 3.618 4.825 5.276) 8.012 12.674 ( -1.098 -2.113 -0.599) 2.456 12.778 ( -1.902 30.850 -0.796) 30.919 12.855 ( 1.754 30.436 -3.461) 30.682 13.105 ( -2.077 19.286 1.623) 19.466 13.160 ( -0.480 25.531 -0.878) 25.551 13.238 ( -6.598 -2.086 2.583) 7.386 13.379 ( 0.825 1.346 -2.961) 3.356 13.726 ( -24.313 25.238 -4.303) 35.308 14.525 ( 3.502 8.578 0.724) 9.294 14.812 ( -8.394 13.436 1.810) 15.945 18.974 ( 1.156 -6.789 17.927) 19.204 19.417 ( -2.476 -11.934 -6.072) 13.617 20.977 ( 10.303 -2.106 4.024) 11.259 21.293 ( 15.678 -13.700 -16.053) 26.290 21.646 ( 2.494 -12.809 5.773) 14.269 21.926 ( -6.126 -8.425 2.583) 10.732 ======================= Grid point 7 (6/49) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.000 5.635 -0.000) 5.635 1.223 ( 0.000 13.292 0.000) 13.292 1.391 ( 0.000 1.967 -0.000) 1.967 1.452 ( -0.000 12.369 -0.000) 12.369 1.644 ( 0.000 4.115 -0.000) 4.115 1.737 ( 0.000 5.599 -0.000) 5.599 1.914 ( 0.000 6.318 -0.000) 6.318 1.926 ( -0.000 12.053 0.000) 12.053 2.067 ( 0.000 8.528 -0.000) 8.528 2.172 ( 0.000 1.158 -0.000) 1.158 2.288 ( 0.000 6.139 0.000) 6.139 2.291 ( -0.000 9.534 -0.000) 9.534 2.353 ( 0.000 12.814 -0.000) 12.814 2.415 ( 0.000 11.180 -0.000) 11.180 2.484 ( 0.000 10.048 0.000) 10.048 2.562 ( -0.000 9.784 -0.000) 9.784 2.628 ( 0.000 1.262 -0.000) 1.262 2.681 ( 0.000 12.548 -0.000) 12.548 2.845 ( 0.000 1.050 -0.000) 1.050 2.898 ( 0.000 16.802 -0.000) 16.802 3.017 ( 0.000 17.868 -0.000) 17.868 3.063 ( 0.000 5.795 -0.000) 5.795 3.090 ( 0.000 3.135 -0.000) 3.135 3.142 ( 0.000 6.751 -0.000) 6.751 3.154 ( 0.000 15.866 -0.000) 15.866 3.252 ( 0.000 5.103 -0.000) 5.103 3.296 ( 0.000 6.808 -0.000) 6.808 3.314 ( 0.000 21.530 -0.000) 21.530 3.400 ( 0.000 13.356 -0.000) 13.356 3.413 ( -0.000 34.063 0.000) 34.063 3.617 ( -0.000 25.753 0.000) 25.753 3.717 ( 0.000 31.664 -0.000) 31.664 3.756 ( 0.000 6.218 -0.000) 6.218 3.976 ( 0.000 21.881 -0.000) 21.881 4.049 ( 0.000 16.615 0.000) 16.615 4.074 ( 0.000 31.463 -0.000) 31.463 4.187 ( 0.000 35.100 0.000) 35.100 4.248 ( 0.000 5.163 -0.000) 5.163 4.548 ( 0.000 7.576 -0.000) 7.576 4.672 ( 0.000 5.982 -0.000) 5.982 4.827 ( -0.000 14.939 -0.000) 14.939 4.848 ( 0.000 -0.559 0.000) 0.559 4.961 ( 0.000 6.095 0.000) 6.095 5.011 ( 0.000 3.088 -0.000) 3.088 5.218 ( -0.000 0.696 -0.000) 0.696 5.223 ( 0.000 -1.128 0.000) 1.128 5.352 ( 0.000 -7.040 0.000) 7.040 5.376 ( 0.000 -4.783 -0.000) 4.783 5.600 ( 0.000 7.395 -0.000) 7.395 5.677 ( 0.000 5.777 -0.000) 5.777 5.699 ( 0.000 -0.402 -0.000) 0.402 5.850 ( 0.000 -6.423 -0.000) 6.423 5.906 ( -0.000 4.763 0.000) 4.763 5.907 ( 0.000 -1.289 -0.000) 1.289 6.110 ( 0.000 -1.024 0.000) 1.024 6.151 ( 0.000 -1.272 -0.000) 1.272 6.174 ( 0.000 -3.818 0.000) 3.818 6.261 ( 0.000 9.360 -0.000) 9.360 6.301 ( 0.000 3.430 -0.000) 3.430 6.362 ( 0.000 3.880 -0.000) 3.880 6.373 ( 0.000 4.075 -0.000) 4.075 6.405 ( 0.000 1.106 0.000) 1.106 6.471 ( 0.000 2.582 0.000) 2.582 6.561 ( 0.000 3.135 -0.000) 3.135 6.681 ( 0.000 10.234 0.000) 10.234 6.715 ( 0.000 4.243 -0.000) 4.243 6.796 ( 0.000 0.629 -0.000) 0.629 6.859 ( 0.000 3.565 -0.000) 3.565 6.863 ( -0.000 3.235 0.000) 3.235 6.923 ( 0.000 4.797 0.000) 4.797 6.931 ( 0.000 5.592 -0.000) 5.592 7.029 ( 0.000 2.010 0.000) 2.010 7.029 ( -0.000 4.854 -0.000) 4.854 7.117 ( 0.000 7.024 -0.000) 7.024 7.175 ( 0.000 6.528 0.000) 6.528 7.295 ( 0.000 -1.893 -0.000) 1.893 7.504 ( 0.000 1.170 -0.000) 1.170 7.660 ( -0.000 -2.820 -0.000) 2.820 7.732 ( 0.000 -3.510 -0.000) 3.510 7.826 ( 0.000 -5.340 -0.000) 5.340 7.903 ( 0.000 -3.971 0.000) 3.971 7.948 ( 0.000 -4.197 -0.000) 4.197 7.970 ( 0.000 -1.669 0.000) 1.669 8.100 ( 0.000 -12.285 0.000) 12.285 8.127 ( 0.000 1.869 -0.000) 1.869 8.340 ( 0.000 -4.107 -0.000) 4.107 8.447 ( 0.000 -3.457 -0.000) 3.457 8.485 ( 0.000 -1.860 -0.000) 1.860 8.743 ( 0.000 -22.871 0.000) 22.871 8.744 ( 0.000 -20.596 -0.000) 20.596 8.957 ( 0.000 -5.185 -0.000) 5.185 8.958 ( 0.000 -2.646 0.000) 2.646 9.281 ( 0.000 5.397 -0.000) 5.397 9.364 ( 0.000 10.639 -0.000) 10.639 9.386 ( 0.000 1.718 -0.000) 1.718 9.408 ( 0.000 6.343 -0.000) 6.343 9.683 ( 0.000 16.932 0.000) 16.932 9.905 ( 0.000 12.933 -0.000) 12.933 10.659 ( 0.000 3.432 -0.000) 3.432 10.714 ( 0.000 1.359 -0.000) 1.359 10.793 ( 0.000 11.367 -0.000) 11.367 11.091 ( 0.000 -1.274 -0.000) 1.274 11.285 ( 0.000 -4.589 -0.000) 4.589 11.321 ( 0.000 8.326 -0.000) 8.326 11.577 ( 0.000 2.174 0.000) 2.174 11.725 ( 0.000 9.728 -0.000) 9.728 11.849 ( 0.000 3.266 -0.000) 3.266 11.955 ( 0.000 4.393 -0.000) 4.393 12.426 ( 0.000 5.522 -0.000) 5.522 12.599 ( 0.000 12.330 0.000) 12.330 12.658 ( 0.000 -2.678 0.000) 2.678 12.748 ( 0.000 33.019 -0.000) 33.019 12.902 ( 0.000 25.468 -0.000) 25.468 13.074 ( 0.000 13.761 -0.000) 13.761 13.149 ( 0.000 26.803 -0.000) 26.803 13.170 ( 0.000 2.909 -0.000) 2.909 13.388 ( 0.000 2.665 -0.000) 2.665 13.488 ( 0.000 12.521 0.000) 12.521 14.565 ( 0.000 11.813 -0.000) 11.813 14.761 ( 0.000 1.321 -0.000) 1.321 19.002 ( 0.000 -5.094 -0.000) 5.094 19.374 ( 0.000 -11.056 0.000) 11.056 21.183 ( 0.000 -2.458 -0.000) 2.458 21.302 ( 0.000 -3.613 -0.000) 3.613 21.764 ( 0.000 -11.983 -0.000) 11.983 21.798 ( -0.000 -13.686 0.000) 13.686 ======================= Grid point 10 (7/49) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 28.561 0.000) 28.561 1.295 ( 0.000 27.217 0.000) 27.217 1.727 ( 0.000 5.297 0.000) 5.297 1.896 ( 0.000 7.061 0.000) 7.061 1.941 ( 0.000 13.417 0.000) 13.417 1.964 ( 0.000 8.480 0.000) 8.480 2.025 ( 0.000 14.728 0.000) 14.728 2.112 ( 0.000 12.389 0.000) 12.389 2.163 ( 0.000 26.134 0.000) 26.134 2.324 ( 0.000 16.666 0.000) 16.666 2.415 ( 0.000 5.132 0.000) 5.132 2.445 ( 0.000 6.487 0.000) 6.487 2.535 ( 0.000 6.195 0.000) 6.195 2.705 ( 0.000 6.159 0.000) 6.159 2.710 ( 0.000 5.861 0.000) 5.861 2.767 ( 0.000 6.783 0.000) 6.783 2.877 ( 0.000 4.493 0.000) 4.493 2.886 ( 0.000 0.545 0.000) 0.545 2.986 ( 0.000 10.562 0.000) 10.562 3.042 ( 0.000 3.715 0.000) 3.715 3.072 ( 0.000 5.796 0.000) 5.796 3.113 ( 0.000 6.635 0.000) 6.635 3.137 ( 0.000 10.592 0.000) 10.592 3.198 ( 0.000 2.506 0.000) 2.506 3.263 ( 0.000 9.052 0.000) 9.052 3.331 ( 0.000 14.881 0.000) 14.881 3.554 ( 0.000 7.505 0.000) 7.505 3.653 ( 0.000 3.355 0.000) 3.355 3.729 ( 0.000 -0.394 0.000) 0.394 3.835 ( 0.000 7.989 0.000) 7.989 3.850 ( 0.000 12.517 0.000) 12.517 3.916 ( 0.000 17.371 0.000) 17.371 4.012 ( 0.000 15.711 0.000) 15.711 4.237 ( 0.000 4.705 0.000) 4.705 4.410 ( 0.000 6.031 0.000) 6.031 4.591 ( 0.000 6.529 0.000) 6.529 4.622 ( 0.000 8.954 0.000) 8.954 4.876 ( 0.000 9.586 0.000) 9.586 4.907 ( 0.000 27.158 0.000) 27.158 4.979 ( 0.000 1.622 0.000) 1.622 5.060 ( 0.000 5.767 0.000) 5.767 5.079 ( 0.000 16.807 0.000) 16.807 5.253 ( 0.000 24.905 0.000) 24.905 5.284 ( 0.000 20.467 0.000) 20.467 5.350 ( 0.000 5.838 0.000) 5.838 5.394 ( 0.000 10.886 0.000) 10.886 5.521 ( 0.000 10.022 0.000) 10.022 5.540 ( 0.000 26.266 0.000) 26.266 5.581 ( 0.000 7.968 0.000) 7.968 5.734 ( 0.000 2.222 0.000) 2.222 5.901 ( 0.000 31.376 0.000) 31.376 5.952 ( 0.000 0.553 0.000) 0.553 5.992 ( 0.000 0.817 0.000) 0.817 6.035 ( 0.000 11.078 0.000) 11.078 6.077 ( 0.000 2.123 0.000) 2.123 6.133 ( 0.000 42.088 0.000) 42.088 6.324 ( 0.000 3.966 0.000) 3.966 6.389 ( 0.000 2.745 0.000) 2.745 6.394 ( 0.000 7.285 0.000) 7.285 6.458 ( 0.000 7.755 0.000) 7.755 6.481 ( 0.000 1.676 0.000) 1.676 6.561 ( 0.000 3.615 0.000) 3.615 6.597 ( 0.000 6.249 0.000) 6.249 6.647 ( 0.000 10.496 0.000) 10.496 6.731 ( 0.000 8.173 0.000) 8.173 6.839 ( 0.000 4.819 0.000) 4.819 6.886 ( 0.000 4.406 0.000) 4.406 6.918 ( 0.000 6.184 0.000) 6.184 6.919 ( 0.000 5.707 0.000) 5.707 6.973 ( 0.000 8.202 0.000) 8.202 7.047 ( 0.000 5.337 0.000) 5.337 7.076 ( 0.000 -0.510 0.000) 0.510 7.103 ( 0.000 4.343 0.000) 4.343 7.157 ( 0.000 10.675 0.000) 10.675 7.195 ( 0.000 -1.679 0.000) 1.679 7.310 ( 0.000 -0.884 0.000) 0.884 7.377 ( 0.000 3.084 0.000) 3.084 7.619 ( 0.000 -1.080 0.000) 1.080 7.620 ( 0.000 -0.623 0.000) 0.623 7.709 ( 0.000 -2.522 0.000) 2.522 7.770 ( 0.000 1.540 0.000) 1.540 7.847 ( 0.000 -8.747 0.000) 8.747 7.856 ( 0.000 -4.768 0.000) 4.768 7.887 ( 0.000 -4.903 0.000) 4.903 8.129 ( 0.000 -0.623 0.000) 0.623 8.295 ( 0.000 -14.002 0.000) 14.002 8.307 ( 0.000 -9.714 0.000) 9.714 8.385 ( 0.000 -4.300 0.000) 4.300 8.660 ( 0.000 -7.811 0.000) 7.811 8.680 ( 0.000 -7.976 0.000) 7.976 8.915 ( 0.000 -5.363 0.000) 5.363 8.931 ( 0.000 -6.236 0.000) 6.236 9.356 ( 0.000 -1.687 0.000) 1.687 9.400 ( 0.000 -2.821 0.000) 2.821 9.657 ( 0.000 10.712 0.000) 10.712 9.672 ( 0.000 9.005 0.000) 9.005 9.998 ( 0.000 3.377 0.000) 3.377 10.427 ( 0.000 -8.392 0.000) 8.392 10.438 ( 0.000 2.400 0.000) 2.400 10.440 ( 0.000 5.354 0.000) 5.354 10.819 ( 0.000 1.622 0.000) 1.622 11.123 ( 0.000 -9.122 0.000) 9.122 11.241 ( 0.000 -4.308 0.000) 4.308 11.302 ( 0.000 -8.037 0.000) 8.037 11.729 ( 0.000 4.706 0.000) 4.706 11.793 ( 0.000 7.590 0.000) 7.590 12.078 ( 0.000 13.605 0.000) 13.605 12.166 ( 0.000 10.061 0.000) 10.061 12.441 ( 0.000 -1.465 0.000) 1.465 12.564 ( 0.000 7.089 0.000) 7.089 12.620 ( 0.000 -2.035 0.000) 2.035 13.038 ( 0.000 -9.213 0.000) 9.213 13.163 ( 0.000 -4.252 0.000) 4.252 13.175 ( 0.000 -3.073 0.000) 3.073 13.599 ( 0.000 29.781 0.000) 29.781 13.777 ( 0.000 27.189 0.000) 27.189 14.068 ( 0.000 55.034 0.000) 55.034 14.274 ( 0.000 23.105 0.000) 23.105 14.810 ( 0.000 32.497 0.000) 32.497 15.770 ( 0.000 26.352 0.000) 26.352 18.776 ( 0.000 -3.040 0.000) 3.040 19.169 ( 0.000 -15.542 0.000) 15.542 20.809 ( 0.000 -0.277 0.000) 0.277 20.821 ( 0.000 -0.993 0.000) 0.993 21.551 ( 0.000 -4.198 0.000) 4.198 21.814 ( 0.000 -9.380 0.000) 9.380 ======================= Grid point 11 (8/49) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.619 26.198 -1.883) 26.514 1.319 ( 10.744 25.011 1.180) 27.247 1.687 ( -2.582 7.978 -0.707) 8.415 1.880 ( -4.662 11.422 -6.616) 13.999 1.937 ( 0.046 9.657 -11.237) 14.816 1.989 ( -3.003 10.302 3.192) 11.196 2.036 ( -4.197 8.510 3.815) 10.227 2.061 ( 3.554 7.777 8.740) 12.227 2.162 ( -4.123 7.943 8.652) 12.448 2.289 ( -6.576 5.234 0.202) 8.407 2.398 ( -4.211 7.322 -4.729) 9.680 2.446 ( 6.346 24.281 0.793) 25.109 2.528 ( 6.236 9.839 -0.282) 11.652 2.575 ( -4.026 7.578 2.266) 8.876 2.683 ( -3.545 4.891 -0.703) 6.081 2.751 ( -4.613 12.786 2.721) 13.862 2.825 ( 0.098 3.006 -2.942) 4.208 2.886 ( -3.770 4.034 -3.937) 6.781 3.034 ( 4.904 2.698 1.679) 5.843 3.065 ( 4.090 6.982 0.578) 8.112 3.117 ( -0.251 9.327 -1.853) 9.512 3.152 ( -1.451 7.623 -0.802) 7.801 3.200 ( 5.308 3.614 4.282) 7.718 3.249 ( 6.781 13.162 -5.769) 15.890 3.292 ( 3.095 7.704 1.706) 8.476 3.360 ( 1.203 8.670 1.813) 8.938 3.503 ( -5.335 11.206 -0.754) 12.434 3.656 ( -6.253 5.009 0.330) 8.018 3.718 ( 3.978 4.783 -1.506) 6.401 3.789 ( -0.196 3.773 -1.841) 4.203 3.835 ( -0.962 20.022 -1.530) 20.103 3.992 ( 5.394 16.493 0.152) 17.353 4.083 ( 2.986 10.991 6.378) 13.053 4.202 ( -0.238 4.029 -3.241) 5.176 4.438 ( 0.864 6.904 -0.678) 6.991 4.555 ( -2.200 7.135 3.260) 8.147 4.658 ( 2.010 9.915 -0.417) 10.125 4.837 ( -2.067 14.496 -1.079) 14.682 4.904 ( -3.243 6.588 0.442) 7.356 4.909 ( -3.128 21.794 -1.319) 22.057 5.066 ( -0.324 0.577 1.153) 1.330 5.096 ( 1.738 13.468 -0.806) 13.603 5.236 ( -2.997 22.726 0.631) 22.931 5.296 ( -0.779 9.682 1.261) 9.795 5.307 ( -0.636 18.480 0.380) 18.495 5.333 ( -2.766 18.458 -0.488) 18.671 5.506 ( -0.840 11.846 -0.126) 11.877 5.553 ( 0.444 21.492 -0.005) 21.497 5.641 ( 4.574 5.011 -3.021) 7.427 5.737 ( -0.685 3.489 3.360) 4.892 5.906 ( -2.592 1.470 0.454) 3.014 5.932 ( 1.960 31.835 0.166) 31.896 5.998 ( 0.397 5.420 -0.950) 5.517 6.046 ( 0.789 11.885 -2.467) 12.164 6.086 ( 0.181 7.857 0.653) 7.886 6.135 ( 0.697 26.379 2.339) 26.491 6.271 ( -4.814 8.799 -1.914) 10.211 6.369 ( -0.207 1.276 -0.460) 1.372 6.399 ( -1.110 4.707 0.234) 4.842 6.451 ( 0.091 7.919 -0.152) 7.921 6.473 ( -0.986 1.486 0.796) 1.953 6.505 ( -2.205 7.067 1.509) 7.555 6.599 ( -2.461 8.616 -0.450) 8.972 6.648 ( 1.635 7.045 -0.473) 7.248 6.766 ( 2.880 6.290 -0.560) 6.941 6.832 ( -0.240 4.583 -0.430) 4.610 6.876 ( -1.786 3.575 0.249) 4.004 6.914 ( 0.203 3.989 -1.637) 4.317 6.952 ( 1.897 7.553 -1.447) 7.921 6.992 ( 0.997 4.785 0.093) 4.888 7.037 ( -0.271 5.827 5.695) 8.152 7.099 ( 0.376 5.526 -0.914) 5.614 7.119 ( 1.649 2.824 -0.724) 3.349 7.207 ( 4.175 6.203 -2.589) 7.913 7.229 ( 2.397 0.489 0.245) 2.459 7.274 ( -1.264 1.714 -0.403) 2.167 7.471 ( 6.628 3.526 2.787) 8.009 7.612 ( 0.225 -2.625 -0.827) 2.762 7.663 ( 3.230 -3.528 -0.193) 4.787 7.729 ( -1.729 0.467 -2.209) 2.844 7.788 ( 2.841 -1.990 2.186) 4.100 7.804 ( -1.448 -6.897 1.722) 7.254 7.885 ( 2.551 -2.842 -2.610) 4.626 7.938 ( 3.538 -3.976 1.185) 5.452 8.143 ( 1.475 -0.146 -0.369) 1.528 8.265 ( -2.980 -13.074 0.865) 13.437 8.284 ( -1.603 -11.770 -0.801) 11.906 8.369 ( -1.199 -4.840 0.091) 4.987 8.560 ( -8.748 -6.639 -0.284) 10.986 8.632 ( -5.622 -5.331 0.087) 7.748 8.880 ( -2.051 -5.642 -1.376) 6.159 8.901 ( -1.671 -5.910 1.509) 6.324 9.323 ( -2.750 -1.563 0.077) 3.165 9.366 ( -2.442 -2.676 -0.010) 3.623 9.634 ( -0.904 12.501 1.355) 12.607 9.672 ( -0.614 11.773 -1.779) 11.922 9.934 ( -3.080 5.291 -0.580) 6.149 10.152 ( -12.179 0.593 0.607) 12.208 10.546 ( 5.921 -1.963 0.156) 6.240 10.601 ( 4.712 -5.716 -0.084) 7.408 10.881 ( 5.385 2.712 -0.033) 6.029 11.075 ( -3.562 -6.240 0.574) 7.208 11.202 ( 0.080 -2.972 0.698) 3.054 11.370 ( 1.821 -7.700 -0.859) 7.959 11.714 ( -1.137 8.535 -2.905) 9.087 11.797 ( 0.338 4.092 1.664) 4.430 12.076 ( -0.606 13.601 4.284) 14.272 12.157 ( -0.235 10.082 -4.925) 11.223 12.484 ( 3.348 -3.911 1.780) 5.448 12.558 ( -0.215 7.970 -1.948) 8.208 12.615 ( -0.368 -0.848 0.584) 1.094 12.978 ( -5.410 -11.136 1.474) 12.468 13.123 ( -0.309 -1.922 -0.076) 1.948 13.237 ( 2.688 -3.469 -1.141) 4.535 13.636 ( 3.219 29.459 -2.863) 29.772 13.755 ( -2.160 27.129 2.344) 27.316 14.059 ( -0.359 56.468 -0.645) 56.473 14.199 ( -6.429 35.530 1.666) 36.145 14.862 ( 4.678 29.230 -0.390) 29.605 15.389 ( -23.473 38.205 -3.758) 44.997 18.845 ( 2.624 -5.866 8.054) 10.304 19.140 ( -1.504 -14.631 -4.248) 15.309 20.935 ( 9.650 -1.760 2.105) 10.033 21.068 ( 18.317 -7.599 -4.930) 20.435 21.486 ( -5.431 -5.583 0.786) 7.829 21.733 ( -7.675 -9.995 1.444) 12.684 ======================= Grid point 12 (9/49) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 14.736 -0.000) 14.736 1.548 ( 0.000 17.968 -0.000) 17.968 1.595 ( 0.000 17.263 -0.000) 17.263 1.730 ( -0.000 15.567 -0.000) 15.567 1.789 ( 0.000 9.835 -0.000) 9.835 1.924 ( 0.000 12.647 -0.000) 12.647 2.063 ( 0.000 7.598 -0.000) 7.598 2.132 ( -0.000 8.296 0.000) 8.296 2.234 ( -0.000 6.138 -0.000) 6.138 2.250 ( 0.000 10.123 0.000) 10.123 2.281 ( 0.000 -0.172 0.000) 0.172 2.341 ( -0.000 3.873 -0.000) 3.873 2.597 ( 0.000 5.373 -0.000) 5.373 2.614 ( 0.000 2.358 -0.000) 2.358 2.663 ( -0.000 12.064 0.000) 12.064 2.778 ( 0.000 6.245 -0.000) 6.245 2.812 ( 0.000 3.556 -0.000) 3.556 2.902 ( 0.000 23.738 -0.000) 23.738 3.023 ( 0.000 19.015 0.000) 19.015 3.062 ( 0.000 4.578 0.000) 4.578 3.141 ( 0.000 4.640 -0.000) 4.640 3.146 ( 0.000 4.850 0.000) 4.850 3.277 ( 0.000 7.928 0.000) 7.928 3.284 ( -0.000 6.157 -0.000) 6.157 3.356 ( 0.000 16.131 -0.000) 16.131 3.413 ( -0.000 7.965 0.000) 7.965 3.414 ( 0.000 8.621 -0.000) 8.621 3.549 ( 0.000 7.505 -0.000) 7.505 3.763 ( 0.000 4.797 -0.000) 4.797 3.787 ( 0.000 5.793 -0.000) 5.793 3.821 ( 0.000 18.203 0.000) 18.203 4.064 ( -0.000 18.288 0.000) 18.288 4.128 ( 0.000 8.327 -0.000) 8.327 4.219 ( 0.000 3.659 -0.000) 3.659 4.437 ( 0.000 6.916 -0.000) 6.916 4.534 ( 0.000 9.953 -0.000) 9.953 4.680 ( 0.000 11.857 -0.000) 11.857 4.818 ( 0.000 12.928 -0.000) 12.928 4.850 ( -0.000 18.189 -0.000) 18.189 4.854 ( 0.000 7.826 0.000) 7.826 5.062 ( 0.000 -0.451 -0.000) 0.451 5.128 ( 0.000 0.544 -0.000) 0.544 5.191 ( 0.000 43.384 -0.000) 43.384 5.250 ( 0.000 -0.353 -0.000) 0.353 5.302 ( 0.000 5.817 -0.000) 5.817 5.342 ( 0.000 39.090 -0.000) 39.090 5.495 ( 0.000 11.395 -0.000) 11.395 5.558 ( 0.000 20.626 0.000) 20.626 5.711 ( -0.000 4.737 0.000) 4.737 5.713 ( 0.000 1.535 -0.000) 1.535 5.873 ( 0.000 -0.846 -0.000) 0.846 5.962 ( 0.000 34.976 0.000) 34.976 6.004 ( 0.000 3.697 0.000) 3.697 6.031 ( 0.000 28.297 -0.000) 28.297 6.106 ( 0.000 -1.617 -0.000) 1.617 6.175 ( 0.000 18.642 0.000) 18.642 6.175 ( -0.000 7.677 -0.000) 7.677 6.348 ( 0.000 3.557 -0.000) 3.557 6.391 ( -0.000 0.749 -0.000) 0.749 6.459 ( 0.000 10.011 -0.000) 10.011 6.460 ( -0.000 0.856 0.000) 0.856 6.493 ( -0.000 9.514 -0.000) 9.514 6.560 ( 0.000 8.158 0.000) 8.158 6.670 ( 0.000 7.637 -0.000) 7.637 6.801 ( 0.000 3.188 -0.000) 3.188 6.834 ( 0.000 3.543 -0.000) 3.543 6.847 ( -0.000 6.286 0.000) 6.286 6.922 ( 0.000 3.528 -0.000) 3.528 6.954 ( 0.000 6.275 -0.000) 6.275 7.007 ( 0.000 4.443 0.000) 4.443 7.047 ( 0.000 4.656 0.000) 4.656 7.117 ( -0.000 6.989 -0.000) 6.989 7.121 ( 0.000 3.716 0.000) 3.716 7.249 ( 0.000 -0.924 -0.000) 0.924 7.260 ( 0.000 0.929 -0.000) 0.929 7.272 ( -0.000 7.078 0.000) 7.078 7.603 ( 0.000 5.300 -0.000) 5.300 7.629 ( -0.000 -3.954 -0.000) 3.954 7.640 ( 0.000 1.320 -0.000) 1.320 7.723 ( 0.000 -5.539 -0.000) 5.539 7.766 ( 0.000 -6.009 -0.000) 6.009 7.865 ( 0.000 -2.799 -0.000) 2.799 7.905 ( 0.000 -3.976 -0.000) 3.976 8.027 ( 0.000 1.832 0.000) 1.832 8.156 ( 0.000 -3.628 -0.000) 3.628 8.203 ( 0.000 -5.553 -0.000) 5.553 8.266 ( 0.000 -15.255 0.000) 15.255 8.354 ( 0.000 -5.279 -0.000) 5.279 8.430 ( 0.000 -5.894 -0.000) 5.894 8.521 ( 0.000 -3.744 0.000) 3.744 8.858 ( 0.000 -5.772 -0.000) 5.772 8.888 ( 0.000 -5.957 0.000) 5.957 9.286 ( 0.000 -1.492 -0.000) 1.492 9.332 ( 0.000 -2.672 0.000) 2.672 9.633 ( 0.000 13.421 -0.000) 13.421 9.653 ( 0.000 14.908 -0.000) 14.908 9.903 ( 0.000 5.263 -0.000) 5.263 10.023 ( 0.000 0.890 -0.000) 0.890 10.610 ( 0.000 -5.508 -0.000) 5.508 10.644 ( 0.000 -7.036 -0.000) 7.036 10.971 ( -0.000 1.611 -0.000) 1.611 11.029 ( 0.000 -4.848 -0.000) 4.848 11.213 ( 0.000 -2.458 -0.000) 2.458 11.373 ( 0.000 -4.731 0.000) 4.731 11.691 ( 0.000 10.390 -0.000) 10.390 11.806 ( 0.000 1.923 -0.000) 1.923 12.078 ( 0.000 14.014 -0.000) 14.014 12.142 ( 0.000 9.623 0.000) 9.623 12.538 ( 0.000 -6.408 -0.000) 6.408 12.551 ( 0.000 8.832 0.000) 8.832 12.614 ( 0.000 0.174 0.000) 0.174 12.901 ( 0.000 -10.319 -0.000) 10.319 13.126 ( 0.000 -3.152 -0.000) 3.152 13.266 ( 0.000 -3.897 0.000) 3.897 13.679 ( 0.000 29.401 0.000) 29.401 13.724 ( 0.000 27.415 -0.000) 27.415 14.076 ( 0.000 49.671 -0.000) 49.671 14.089 ( -0.000 56.822 0.000) 56.822 14.968 ( 0.000 24.273 -0.000) 24.273 15.076 ( -0.000 39.538 -0.000) 39.538 18.883 ( 0.000 -6.262 -0.000) 6.262 19.113 ( 0.000 -13.888 0.000) 13.888 21.127 ( 0.000 -2.710 -0.000) 2.710 21.223 ( 0.000 -3.651 -0.000) 3.651 21.522 ( -0.000 -10.903 0.000) 10.903 21.523 ( 0.000 -12.557 -0.000) 12.557 ======================= Grid point 15 (10/49) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 5.980 0.000) 5.980 1.724 ( 0.000 23.245 0.000) 23.245 1.947 ( 0.000 17.774 0.000) 17.774 2.072 ( 0.000 10.331 0.000) 10.331 2.137 ( 0.000 9.264 0.000) 9.264 2.192 ( 0.000 8.926 0.000) 8.926 2.277 ( 0.000 5.894 0.000) 5.894 2.319 ( 0.000 14.107 0.000) 14.107 2.331 ( 0.000 9.025 0.000) 9.025 2.454 ( 0.000 3.189 0.000) 3.189 2.540 ( 0.000 3.359 0.000) 3.359 2.657 ( 0.000 5.209 0.000) 5.209 2.744 ( 0.000 0.278 0.000) 0.278 2.782 ( 0.000 2.611 0.000) 2.611 2.869 ( 0.000 6.892 0.000) 6.892 2.879 ( 0.000 0.021 0.000) 0.021 2.988 ( 0.000 3.757 0.000) 3.757 3.100 ( 0.000 18.744 0.000) 18.744 3.137 ( 0.000 10.614 0.000) 10.614 3.204 ( 0.000 10.470 0.000) 10.470 3.213 ( 0.000 7.668 0.000) 7.668 3.271 ( 0.000 9.835 0.000) 9.835 3.336 ( 0.000 22.052 0.000) 22.052 3.365 ( 0.000 10.662 0.000) 10.662 3.441 ( 0.000 8.517 0.000) 8.517 3.676 ( 0.000 -0.230 0.000) 0.230 3.681 ( 0.000 3.678 0.000) 3.678 3.720 ( 0.000 13.829 0.000) 13.829 3.750 ( 0.000 10.920 0.000) 10.920 3.950 ( 0.000 5.587 0.000) 5.587 3.955 ( 0.000 6.273 0.000) 6.273 4.107 ( 0.000 -3.041 0.000) 3.041 4.327 ( 0.000 17.137 0.000) 17.137 4.499 ( 0.000 15.054 0.000) 15.054 4.523 ( 0.000 5.295 0.000) 5.295 4.747 ( 0.000 4.499 0.000) 4.499 4.757 ( 0.000 11.066 0.000) 11.066 4.983 ( 0.000 6.784 0.000) 6.784 5.025 ( 0.000 1.584 0.000) 1.584 5.055 ( 0.000 2.468 0.000) 2.468 5.098 ( 0.000 2.831 0.000) 2.831 5.223 ( 0.000 12.510 0.000) 12.510 5.439 ( 0.000 4.566 0.000) 4.566 5.447 ( 0.000 4.607 0.000) 4.607 5.502 ( 0.000 3.507 0.000) 3.507 5.600 ( 0.000 3.916 0.000) 3.916 5.717 ( 0.000 1.500 0.000) 1.500 5.741 ( 0.000 4.645 0.000) 4.645 5.865 ( 0.000 -1.499 0.000) 1.499 5.902 ( 0.000 7.631 0.000) 7.631 6.002 ( 0.000 1.122 0.000) 1.122 6.049 ( 0.000 8.602 0.000) 8.602 6.138 ( 0.000 6.480 0.000) 6.480 6.380 ( 0.000 1.880 0.000) 1.880 6.413 ( 0.000 22.871 0.000) 22.871 6.448 ( 0.000 1.858 0.000) 1.858 6.492 ( 0.000 5.351 0.000) 5.351 6.517 ( 0.000 19.145 0.000) 19.145 6.531 ( 0.000 2.898 0.000) 2.898 6.661 ( 0.000 9.831 0.000) 9.831 6.721 ( 0.000 14.448 0.000) 14.448 6.745 ( 0.000 7.336 0.000) 7.336 6.809 ( 0.000 3.748 0.000) 3.748 6.891 ( 0.000 0.906 0.000) 0.906 6.916 ( 0.000 11.605 0.000) 11.605 6.972 ( 0.000 9.724 0.000) 9.724 7.026 ( 0.000 3.798 0.000) 3.798 7.026 ( 0.000 3.510 0.000) 3.510 7.057 ( 0.000 1.453 0.000) 1.453 7.111 ( 0.000 0.185 0.000) 0.185 7.139 ( 0.000 9.827 0.000) 9.827 7.215 ( 0.000 10.551 0.000) 10.551 7.242 ( 0.000 13.469 0.000) 13.469 7.270 ( 0.000 14.560 0.000) 14.560 7.360 ( 0.000 8.635 0.000) 8.635 7.395 ( 0.000 12.556 0.000) 12.556 7.576 ( 0.000 2.203 0.000) 2.203 7.613 ( 0.000 -1.113 0.000) 1.113 7.641 ( 0.000 16.532 0.000) 16.532 7.738 ( 0.000 -3.606 0.000) 3.606 7.747 ( 0.000 3.934 0.000) 3.934 7.840 ( 0.000 10.833 0.000) 10.833 7.888 ( 0.000 7.298 0.000) 7.298 7.899 ( 0.000 23.768 0.000) 23.768 8.079 ( 0.000 -7.397 0.000) 7.397 8.127 ( 0.000 3.012 0.000) 3.012 8.231 ( 0.000 -0.336 0.000) 0.336 8.304 ( 0.000 -3.075 0.000) 3.075 8.547 ( 0.000 -2.758 0.000) 2.758 8.555 ( 0.000 -3.840 0.000) 3.840 8.828 ( 0.000 -0.384 0.000) 0.384 8.842 ( 0.000 0.888 0.000) 0.888 9.312 ( 0.000 -2.650 0.000) 2.650 9.341 ( 0.000 -3.038 0.000) 3.038 9.804 ( 0.000 4.887 0.000) 4.887 9.821 ( 0.000 6.385 0.000) 6.385 9.980 ( 0.000 -2.201 0.000) 2.201 10.197 ( 0.000 -10.074 0.000) 10.074 10.574 ( 0.000 7.727 0.000) 7.727 10.580 ( 0.000 8.114 0.000) 8.114 10.769 ( 0.000 -4.993 0.000) 4.993 10.917 ( 0.000 -11.338 0.000) 11.338 11.156 ( 0.000 -3.856 0.000) 3.856 11.166 ( 0.000 -5.220 0.000) 5.220 11.820 ( 0.000 2.993 0.000) 2.993 11.860 ( 0.000 -0.846 0.000) 0.846 12.180 ( 0.000 -3.472 0.000) 3.472 12.375 ( 0.000 11.682 0.000) 11.682 12.463 ( 0.000 4.526 0.000) 4.526 12.687 ( 0.000 -14.137 0.000) 14.137 12.709 ( 0.000 11.319 0.000) 11.319 12.791 ( 0.000 7.802 0.000) 7.802 13.035 ( 0.000 -8.780 0.000) 8.780 13.053 ( 0.000 -7.690 0.000) 7.690 14.051 ( 0.000 14.917 0.000) 14.917 14.073 ( 0.000 10.416 0.000) 10.416 15.087 ( 0.000 46.490 0.000) 46.490 15.122 ( 0.000 47.601 0.000) 47.601 15.701 ( 0.000 50.605 0.000) 50.605 16.309 ( 0.000 27.358 0.000) 27.358 18.717 ( 0.000 -2.736 0.000) 2.736 18.898 ( 0.000 -11.268 0.000) 11.268 20.822 ( 0.000 1.677 0.000) 1.677 20.822 ( 0.000 1.219 0.000) 1.219 21.480 ( 0.000 -2.638 0.000) 2.638 21.652 ( 0.000 -6.568 0.000) 6.568 ======================= Grid point 16 (11/49) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.017 4.771 -0.389) 4.787 1.787 ( 5.606 21.774 1.050) 22.509 1.943 ( 0.461 18.760 -0.641) 18.776 2.088 ( -0.323 9.352 -0.842) 9.395 2.119 ( 0.712 9.307 -5.144) 10.658 2.157 ( -4.943 7.676 0.190) 9.132 2.244 ( -3.829 10.233 1.247) 10.997 2.315 ( 0.631 12.056 3.259) 12.505 2.320 ( -3.202 9.204 4.422) 10.702 2.385 ( -0.844 6.343 -1.578) 6.591 2.556 ( -1.291 3.230 -1.479) 3.780 2.570 ( -4.200 10.948 0.075) 11.726 2.695 ( -3.819 6.106 -1.068) 7.281 2.718 ( -4.508 2.363 2.056) 5.489 2.837 ( -0.195 1.049 -4.125) 4.261 2.882 ( -1.289 4.780 2.376) 5.492 2.964 ( -3.846 3.250 -1.722) 5.321 3.096 ( -0.230 6.314 1.278) 6.446 3.160 ( 2.256 12.537 -1.167) 12.792 3.244 ( 4.869 10.095 -0.613) 11.224 3.290 ( 1.379 7.133 0.921) 7.323 3.336 ( 1.674 16.894 0.650) 16.989 3.342 ( 6.563 10.346 3.447) 12.728 3.447 ( 3.542 9.334 -1.634) 10.116 3.467 ( 4.050 7.653 1.853) 8.855 3.559 ( -2.774 8.956 -1.402) 9.480 3.712 ( 1.516 8.031 -2.101) 8.438 3.735 ( -1.051 4.001 1.988) 4.590 3.843 ( 1.836 9.323 -0.956) 9.550 3.909 ( -2.070 10.575 -1.397) 10.866 4.038 ( 4.991 4.128 1.313) 6.608 4.118 ( 2.614 -0.815 -1.070) 2.940 4.334 ( 0.875 16.878 0.645) 16.913 4.481 ( -1.995 12.293 0.262) 12.456 4.551 ( 2.465 4.732 -0.982) 5.425 4.665 ( -3.261 8.764 1.288) 9.439 4.840 ( 3.710 9.278 0.018) 9.992 4.969 ( -0.648 4.633 -0.185) 4.681 5.033 ( -0.481 1.320 0.902) 1.669 5.056 ( 0.757 7.134 -1.062) 7.252 5.098 ( 0.011 3.075 0.076) 3.076 5.176 ( -4.715 12.187 -0.147) 13.068 5.370 ( -3.500 5.198 0.993) 6.344 5.391 ( -3.878 6.154 -0.484) 7.290 5.549 ( 2.341 2.157 -2.728) 4.193 5.601 ( -0.309 3.229 1.584) 3.610 5.706 ( -1.179 3.069 1.041) 3.449 5.769 ( 1.670 4.482 0.028) 4.783 5.824 ( -1.961 2.363 0.525) 3.115 5.932 ( 1.895 0.917 -0.306) 2.127 6.001 ( 0.742 3.075 -2.347) 3.939 6.049 ( -0.634 5.416 2.563) 6.025 6.137 ( -0.177 4.532 -0.419) 4.555 6.378 ( -2.147 3.102 0.653) 3.828 6.390 ( -1.959 14.752 1.546) 14.962 6.418 ( 0.476 16.041 -1.721) 16.140 6.476 ( -2.272 2.804 0.864) 3.711 6.516 ( -0.407 18.789 -0.925) 18.816 6.538 ( 1.066 4.752 -1.283) 5.037 6.617 ( -2.671 8.649 -0.273) 9.056 6.669 ( -3.058 9.413 2.358) 10.175 6.777 ( 2.900 5.936 -0.307) 6.613 6.809 ( -0.636 4.414 0.252) 4.466 6.885 ( 0.606 2.760 -3.415) 4.432 6.959 ( -0.166 8.967 -1.896) 9.166 6.983 ( -0.436 8.152 3.811) 9.009 7.001 ( 0.972 7.886 0.833) 7.989 7.069 ( 1.230 4.931 -1.338) 5.256 7.078 ( -1.317 1.758 -0.087) 2.199 7.113 ( 4.256 5.163 -0.202) 6.694 7.132 ( 1.862 1.952 -1.234) 2.967 7.249 ( -0.274 7.152 2.759) 7.671 7.254 ( 1.396 17.064 -0.817) 17.140 7.316 ( 2.347 26.340 1.300) 26.476 7.362 ( 1.248 11.500 -0.255) 11.571 7.402 ( 0.448 9.491 -0.630) 9.523 7.554 ( -2.700 3.549 -2.610) 5.167 7.599 ( 1.157 -1.628 1.447) 2.467 7.661 ( 1.609 8.511 1.937) 8.875 7.722 ( -1.101 -0.408 -0.267) 1.204 7.784 ( 2.449 1.840 -1.085) 3.249 7.830 ( -0.558 7.810 0.550) 7.849 7.905 ( 0.774 7.978 2.514) 8.400 7.945 ( 3.302 10.750 -2.482) 11.516 8.077 ( 0.685 -1.074 -0.194) 1.288 8.106 ( -2.379 -0.835 -0.314) 2.541 8.203 ( -1.238 0.644 0.099) 1.399 8.281 ( -1.399 -3.475 0.028) 3.746 8.527 ( -1.501 3.372 0.193) 3.696 8.582 ( 0.249 0.434 -0.253) 0.561 8.769 ( -3.772 -2.380 -0.692) 4.513 8.798 ( -3.444 -0.151 0.787) 3.536 9.292 ( -1.769 -1.147 0.180) 2.116 9.317 ( -1.900 -1.783 -0.191) 2.613 9.834 ( 2.868 7.121 0.980) 7.740 9.868 ( 4.096 8.001 -0.887) 9.032 9.973 ( -1.017 0.605 -0.149) 1.193 10.131 ( -5.946 -1.698 -0.029) 6.184 10.507 ( -3.089 -3.000 0.123) 4.308 10.520 ( -3.704 -0.067 -0.170) 3.709 10.853 ( 4.932 -3.394 -0.943) 6.060 10.929 ( 0.114 -7.517 0.904) 7.572 11.146 ( 0.995 -2.532 0.825) 2.843 11.222 ( 2.462 -6.356 -0.563) 6.840 11.820 ( -0.109 0.567 0.194) 0.609 11.864 ( 0.618 2.654 -1.356) 3.044 12.187 ( 0.345 -3.743 1.352) 3.994 12.359 ( -1.053 12.349 -1.128) 12.445 12.460 ( -0.226 3.000 2.618) 3.988 12.649 ( -2.478 -14.927 -4.087) 15.674 12.725 ( 0.651 10.716 2.575) 11.041 12.788 ( -0.077 10.735 -0.170) 10.737 13.014 ( -0.688 -7.056 -0.624) 7.116 13.081 ( 1.278 -9.946 0.299) 10.033 14.077 ( 2.063 13.749 -2.004) 14.046 14.094 ( 1.399 12.388 2.120) 12.646 15.092 ( 0.428 45.619 -0.290) 45.622 15.125 ( 0.125 48.646 0.650) 48.651 15.706 ( 0.792 49.529 1.087) 49.547 16.135 ( -12.765 35.735 -2.490) 38.028 18.746 ( 1.541 -4.150 3.116) 5.414 18.883 ( -0.840 -10.751 -2.177) 11.001 20.920 ( 8.616 0.495 0.770) 8.665 20.982 ( 13.214 -1.604 -1.330) 13.378 21.403 ( -6.858 -2.819 -0.181) 7.417 21.563 ( -8.266 -6.669 0.668) 10.642 ======================= Grid point 17 (12/49) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 3.234 -0.000) 3.234 1.898 ( 0.000 16.710 -0.000) 16.710 1.980 ( 0.000 19.622 0.000) 19.622 2.032 ( -0.000 14.777 -0.000) 14.777 2.042 ( -0.000 14.913 -0.000) 14.913 2.140 ( 0.000 5.824 -0.000) 5.824 2.182 ( 0.000 6.574 -0.000) 6.574 2.266 ( -0.000 7.485 0.000) 7.485 2.392 ( 0.000 8.111 -0.000) 8.111 2.405 ( -0.000 10.133 -0.000) 10.133 2.490 ( -0.000 10.516 -0.000) 10.516 2.491 ( 0.000 14.414 0.000) 14.414 2.660 ( 0.000 4.092 -0.000) 4.092 2.687 ( 0.000 3.022 -0.000) 3.022 2.812 ( 0.000 1.581 -0.000) 1.581 2.847 ( 0.000 5.348 0.000) 5.348 2.930 ( 0.000 4.892 -0.000) 4.892 3.116 ( 0.000 3.119 -0.000) 3.119 3.172 ( 0.000 6.050 0.000) 6.050 3.262 ( 0.000 8.377 -0.000) 8.377 3.341 ( 0.000 10.612 0.000) 10.612 3.368 ( 0.000 13.319 0.000) 13.319 3.423 ( 0.000 3.569 0.000) 3.569 3.497 ( 0.000 6.010 0.000) 6.010 3.503 ( -0.000 11.934 -0.000) 11.934 3.583 ( 0.000 6.967 -0.000) 6.967 3.705 ( -0.000 12.720 0.000) 12.720 3.746 ( 0.000 14.438 -0.000) 14.438 3.807 ( 0.000 1.814 -0.000) 1.814 3.883 ( 0.000 8.607 -0.000) 8.607 4.095 ( 0.000 4.963 0.000) 4.963 4.172 ( 0.000 2.832 -0.000) 2.832 4.360 ( 0.000 15.284 -0.000) 15.284 4.437 ( 0.000 8.629 -0.000) 8.629 4.597 ( 0.000 0.989 -0.000) 0.989 4.630 ( 0.000 15.269 -0.000) 15.269 4.886 ( 0.000 9.611 -0.000) 9.611 4.973 ( 0.000 5.189 -0.000) 5.189 5.012 ( 0.000 0.961 0.000) 0.961 5.076 ( 0.000 12.606 -0.000) 12.606 5.085 ( -0.000 8.495 -0.000) 8.495 5.101 ( 0.000 4.837 -0.000) 4.837 5.335 ( 0.000 7.424 0.000) 7.424 5.337 ( -0.000 4.031 -0.000) 4.031 5.572 ( 0.000 4.670 -0.000) 4.670 5.596 ( 0.000 -0.071 -0.000) 0.071 5.690 ( 0.000 3.092 0.000) 3.092 5.787 ( 0.000 3.855 0.000) 3.855 5.807 ( 0.000 1.237 -0.000) 1.237 5.959 ( 0.000 1.691 -0.000) 1.691 6.015 ( 0.000 0.456 -0.000) 0.456 6.042 ( 0.000 5.987 0.000) 5.987 6.129 ( 0.000 2.653 -0.000) 2.653 6.332 ( 0.000 8.482 -0.000) 8.482 6.382 ( 0.000 20.840 -0.000) 20.840 6.431 ( 0.000 2.794 -0.000) 2.794 6.433 ( -0.000 9.965 0.000) 9.965 6.511 ( 0.000 17.620 0.000) 17.620 6.549 ( 0.000 6.829 -0.000) 6.829 6.585 ( 0.000 6.660 -0.000) 6.660 6.644 ( 0.000 6.405 -0.000) 6.405 6.798 ( 0.000 3.996 0.000) 3.996 6.827 ( 0.000 7.437 -0.000) 7.437 6.875 ( 0.000 1.521 -0.000) 1.521 6.954 ( 0.000 10.665 -0.000) 10.665 6.981 ( 0.000 10.211 0.000) 10.211 6.994 ( 0.000 3.248 -0.000) 3.248 7.067 ( 0.000 -2.415 -0.000) 2.415 7.089 ( 0.000 6.979 -0.000) 6.979 7.137 ( 0.000 3.306 -0.000) 3.306 7.214 ( 0.000 1.736 -0.000) 1.736 7.223 ( -0.000 7.825 0.000) 7.825 7.278 ( 0.000 25.866 -0.000) 25.866 7.324 ( 0.000 26.621 -0.000) 26.621 7.399 ( 0.000 20.584 -0.000) 20.584 7.402 ( 0.000 9.016 0.000) 9.016 7.512 ( 0.000 -0.656 -0.000) 0.656 7.627 ( 0.000 -0.994 -0.000) 0.994 7.694 ( 0.000 -2.561 0.000) 2.561 7.705 ( -0.000 3.304 -0.000) 3.304 7.787 ( 0.000 5.916 -0.000) 5.916 7.853 ( 0.000 1.214 0.000) 1.214 7.906 ( 0.000 6.027 -0.000) 6.027 7.988 ( 0.000 -1.963 -0.000) 1.963 8.065 ( 0.000 -2.791 -0.000) 2.791 8.103 ( 0.000 7.027 -0.000) 7.027 8.188 ( -0.000 -2.127 -0.000) 2.127 8.267 ( 0.000 -2.213 -0.000) 2.213 8.519 ( 0.000 14.697 -0.000) 14.697 8.536 ( -0.000 5.123 0.000) 5.123 8.737 ( 0.000 -6.970 -0.000) 6.970 8.753 ( -0.000 -1.225 0.000) 1.225 9.267 ( 0.000 0.330 0.000) 0.330 9.289 ( 0.000 -1.134 0.000) 1.134 9.892 ( 0.000 11.941 -0.000) 11.941 9.942 ( 0.000 0.878 -0.000) 0.878 9.954 ( 0.000 14.632 -0.000) 14.632 10.015 ( -0.000 0.115 0.000) 0.115 10.473 ( 0.000 -7.936 -0.000) 7.936 10.484 ( 0.000 -8.291 0.000) 8.291 10.914 ( -0.000 -4.906 0.000) 4.906 10.921 ( 0.000 -5.406 -0.000) 5.406 11.168 ( 0.000 -2.137 -0.000) 2.137 11.246 ( 0.000 -6.311 -0.000) 6.311 11.818 ( 0.000 -1.076 -0.000) 1.076 11.870 ( 0.000 5.590 -0.000) 5.590 12.194 ( 0.000 -4.096 -0.000) 4.096 12.343 ( 0.000 13.294 0.000) 13.294 12.469 ( 0.000 1.497 0.000) 1.497 12.602 ( 0.000 -15.972 -0.000) 15.972 12.738 ( 0.000 11.620 -0.000) 11.620 12.788 ( 0.000 11.951 -0.000) 11.951 13.007 ( 0.000 -6.687 -0.000) 6.687 13.096 ( 0.000 -10.798 -0.000) 10.798 14.099 ( 0.000 13.001 0.000) 13.001 14.118 ( 0.000 13.963 -0.000) 13.963 15.097 ( 0.000 44.534 -0.000) 44.534 15.128 ( 0.000 49.957 0.000) 49.957 15.737 ( 0.000 46.920 -0.000) 46.920 15.948 ( 0.000 44.086 -0.000) 44.086 18.770 ( 0.000 -4.970 -0.000) 4.970 18.867 ( 0.000 -10.351 0.000) 10.351 21.093 ( 0.000 -0.517 -0.000) 0.517 21.177 ( 0.000 -0.835 -0.000) 0.835 21.326 ( -0.000 -7.306 -0.000) 7.306 21.359 ( 0.000 -5.531 -0.000) 5.531 ======================= Grid point 20 (13/49) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 -2.238 0.000) 2.238 2.138 ( 0.000 17.617 0.000) 17.617 2.167 ( 0.000 -6.949 0.000) 6.949 2.248 ( 0.000 9.784 0.000) 9.784 2.250 ( 0.000 6.385 0.000) 6.385 2.362 ( 0.000 14.322 0.000) 14.322 2.476 ( 0.000 8.089 0.000) 8.089 2.507 ( 0.000 10.083 0.000) 10.083 2.546 ( 0.000 7.712 0.000) 7.712 2.573 ( 0.000 9.057 0.000) 9.057 2.603 ( 0.000 3.800 0.000) 3.800 2.716 ( 0.000 1.509 0.000) 1.509 2.752 ( 0.000 0.439 0.000) 0.439 2.824 ( 0.000 2.135 0.000) 2.135 2.927 ( 0.000 4.774 0.000) 4.774 2.952 ( 0.000 1.503 0.000) 1.503 2.989 ( 0.000 -1.928 0.000) 1.928 3.226 ( 0.000 0.859 0.000) 0.859 3.283 ( 0.000 1.785 0.000) 1.785 3.342 ( 0.000 0.564 0.000) 0.564 3.381 ( 0.000 12.155 0.000) 12.155 3.456 ( 0.000 9.892 0.000) 9.892 3.553 ( 0.000 7.130 0.000) 7.130 3.565 ( 0.000 3.062 0.000) 3.062 3.669 ( 0.000 -0.706 0.000) 0.706 3.683 ( 0.000 3.706 0.000) 3.706 3.909 ( 0.000 13.112 0.000) 13.112 3.958 ( 0.000 21.687 0.000) 21.687 4.033 ( 0.000 10.674 0.000) 10.674 4.057 ( 0.000 2.020 0.000) 2.020 4.133 ( 0.000 15.486 0.000) 15.486 4.202 ( 0.000 11.847 0.000) 11.847 4.537 ( 0.000 6.573 0.000) 6.573 4.608 ( 0.000 0.457 0.000) 0.457 4.644 ( 0.000 8.002 0.000) 8.002 4.855 ( 0.000 3.193 0.000) 3.193 5.013 ( 0.000 13.410 0.000) 13.410 5.089 ( 0.000 2.826 0.000) 2.826 5.130 ( 0.000 9.445 0.000) 9.445 5.147 ( 0.000 9.075 0.000) 9.075 5.256 ( 0.000 9.434 0.000) 9.434 5.448 ( 0.000 4.618 0.000) 4.618 5.531 ( 0.000 4.647 0.000) 4.647 5.544 ( 0.000 4.545 0.000) 4.545 5.581 ( 0.000 6.591 0.000) 6.591 5.636 ( 0.000 0.583 0.000) 0.583 5.761 ( 0.000 0.010 0.000) 0.010 5.778 ( 0.000 4.613 0.000) 4.613 5.859 ( 0.000 3.125 0.000) 3.125 6.008 ( 0.000 0.705 0.000) 0.705 6.077 ( 0.000 10.073 0.000) 10.073 6.188 ( 0.000 6.026 0.000) 6.026 6.246 ( 0.000 5.938 0.000) 5.938 6.413 ( 0.000 -0.317 0.000) 0.317 6.431 ( 0.000 2.508 0.000) 2.508 6.529 ( 0.000 -0.276 0.000) 0.276 6.585 ( 0.000 3.375 0.000) 3.375 6.635 ( 0.000 3.185 0.000) 3.185 6.678 ( 0.000 4.434 0.000) 4.434 6.817 ( 0.000 -0.723 0.000) 0.723 6.828 ( 0.000 2.409 0.000) 2.409 6.872 ( 0.000 -0.611 0.000) 0.611 6.909 ( 0.000 7.045 0.000) 7.045 6.982 ( 0.000 5.325 0.000) 5.325 7.028 ( 0.000 -0.766 0.000) 0.766 7.028 ( 0.000 -1.226 0.000) 1.226 7.040 ( 0.000 1.462 0.000) 1.462 7.078 ( 0.000 1.704 0.000) 1.704 7.140 ( 0.000 3.745 0.000) 3.745 7.146 ( 0.000 9.326 0.000) 9.326 7.307 ( 0.000 6.637 0.000) 6.637 7.337 ( 0.000 3.744 0.000) 3.744 7.381 ( 0.000 1.589 0.000) 1.589 7.439 ( 0.000 2.476 0.000) 2.476 7.507 ( 0.000 3.595 0.000) 3.595 7.583 ( 0.000 9.549 0.000) 9.549 7.616 ( 0.000 5.791 0.000) 5.791 7.678 ( 0.000 3.425 0.000) 3.425 7.686 ( 0.000 -1.782 0.000) 1.782 7.758 ( 0.000 1.320 0.000) 1.320 7.842 ( 0.000 5.002 0.000) 5.002 7.926 ( 0.000 -0.567 0.000) 0.567 7.990 ( 0.000 -1.921 0.000) 1.921 8.165 ( 0.000 3.784 0.000) 3.784 8.242 ( 0.000 2.829 0.000) 2.829 8.245 ( 0.000 0.575 0.000) 0.575 8.335 ( 0.000 9.412 0.000) 9.412 8.355 ( 0.000 4.940 0.000) 4.940 8.491 ( 0.000 -0.901 0.000) 0.901 8.525 ( 0.000 -1.886 0.000) 1.886 9.214 ( 0.000 32.787 0.000) 32.787 9.226 ( 0.000 34.060 0.000) 34.060 9.268 ( 0.000 -0.502 0.000) 0.502 9.294 ( 0.000 -0.308 0.000) 0.308 9.919 ( 0.000 8.149 0.000) 8.149 9.963 ( 0.000 8.198 0.000) 8.198 9.995 ( 0.000 7.469 0.000) 7.469 10.086 ( 0.000 1.363 0.000) 1.363 10.611 ( 0.000 -4.983 0.000) 4.983 10.683 ( 0.000 -7.118 0.000) 7.118 10.744 ( 0.000 3.383 0.000) 3.383 10.767 ( 0.000 5.583 0.000) 5.583 11.114 ( 0.000 0.085 0.000) 0.085 11.115 ( 0.000 0.408 0.000) 0.408 11.797 ( 0.000 -4.363 0.000) 4.363 11.841 ( 0.000 0.152 0.000) 0.152 12.045 ( 0.000 -8.194 0.000) 8.194 12.345 ( 0.000 -15.345 0.000) 15.345 12.617 ( 0.000 10.206 0.000) 10.206 12.620 ( 0.000 12.445 0.000) 12.445 12.862 ( 0.000 -7.502 0.000) 7.502 12.900 ( 0.000 -7.381 0.000) 7.381 12.999 ( 0.000 16.188 0.000) 16.188 13.061 ( 0.000 15.377 0.000) 15.377 14.241 ( 0.000 6.420 0.000) 6.420 14.246 ( 0.000 6.139 0.000) 6.139 15.859 ( 0.000 30.707 0.000) 30.707 15.911 ( 0.000 30.358 0.000) 30.358 16.596 ( 0.000 37.815 0.000) 37.815 16.824 ( 0.000 24.093 0.000) 24.093 18.671 ( 0.000 -1.884 0.000) 1.884 18.729 ( 0.000 -5.930 0.000) 5.930 20.867 ( 0.000 3.106 0.000) 3.106 20.874 ( 0.000 3.352 0.000) 3.352 21.453 ( 0.000 -0.150 0.000) 0.150 21.559 ( 0.000 -2.956 0.000) 2.956 ======================= Grid point 21 (14/49) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -0.430 -1.808 -0.110) 1.862 2.134 ( -0.594 2.188 -0.172) 2.274 2.185 ( 1.644 8.300 1.020) 8.522 2.246 ( 0.344 8.198 -0.829) 8.246 2.256 ( 0.654 8.024 -0.722) 8.083 2.367 ( 0.914 14.746 -1.031) 14.811 2.414 ( -5.472 5.888 -0.685) 8.067 2.483 ( -3.304 10.472 1.351) 11.064 2.524 ( -1.125 7.569 2.682) 8.109 2.574 ( 2.405 9.642 -1.715) 10.084 2.631 ( 1.924 4.154 -1.479) 4.811 2.730 ( 0.811 2.589 0.201) 2.720 2.786 ( 1.237 7.898 3.570) 8.755 2.813 ( -1.386 2.368 -0.098) 2.746 2.851 ( -3.956 3.562 -1.310) 5.482 2.957 ( 0.245 1.780 0.082) 1.798 2.982 ( -1.410 0.339 -0.756) 1.635 3.224 ( -2.393 4.817 1.282) 5.530 3.270 ( 2.546 0.701 -1.416) 2.996 3.348 ( -0.683 -0.561 1.145) 1.447 3.448 ( 0.013 9.675 -2.221) 9.927 3.498 ( 5.905 8.418 2.653) 10.619 3.536 ( -3.266 4.482 -3.284) 6.445 3.580 ( 3.323 4.004 2.613) 5.822 3.604 ( 1.558 5.028 2.005) 5.633 3.694 ( -0.718 0.266 -4.567) 4.631 3.847 ( -3.264 11.267 -0.189) 11.732 3.974 ( -1.568 11.641 1.076) 11.795 4.000 ( -4.630 2.013 0.270) 5.055 4.118 ( 2.029 4.218 -0.715) 4.735 4.134 ( 4.119 21.861 -0.187) 22.246 4.306 ( 6.475 13.467 2.667) 15.179 4.555 ( 1.339 6.503 -1.766) 6.871 4.587 ( -0.939 3.622 1.198) 3.929 4.637 ( -0.567 6.723 -0.904) 6.807 4.858 ( 0.687 4.615 0.010) 4.666 5.038 ( 1.184 7.713 0.195) 7.806 5.064 ( -0.751 7.902 1.711) 8.120 5.114 ( -0.827 7.582 -1.377) 7.750 5.184 ( 1.912 10.301 0.662) 10.498 5.304 ( 4.308 9.602 -1.928) 10.699 5.399 ( -3.583 6.560 1.414) 7.607 5.499 ( -2.291 6.945 -0.383) 7.323 5.535 ( -2.702 10.570 0.053) 10.910 5.595 ( 1.671 2.688 -0.691) 3.239 5.647 ( 0.280 1.347 0.167) 1.386 5.736 ( -0.931 0.331 -0.509) 1.112 5.783 ( -0.287 -1.282 0.572) 1.433 5.874 ( 1.428 1.992 0.452) 2.492 5.984 ( -4.743 7.825 -0.065) 9.151 6.037 ( 0.584 2.736 -0.901) 2.939 6.155 ( -3.393 5.401 1.590) 6.573 6.221 ( -1.661 4.802 -0.439) 5.100 6.403 ( -0.794 0.108 0.235) 0.835 6.441 ( 0.886 3.416 0.788) 3.616 6.563 ( 0.147 3.413 0.056) 3.417 6.569 ( 0.969 3.003 -1.280) 3.405 6.623 ( 0.523 0.680 0.608) 1.052 6.691 ( 0.173 4.315 -0.486) 4.346 6.781 ( -3.626 1.767 -0.073) 4.034 6.813 ( -0.753 1.861 -0.358) 2.039 6.873 ( 1.396 0.949 -0.980) 1.952 6.905 ( -3.703 7.739 -0.270) 8.583 6.954 ( 1.175 2.914 -1.907) 3.675 7.002 ( -1.390 -0.498 1.913) 2.416 7.057 ( 0.626 2.093 1.944) 2.924 7.069 ( 1.748 2.509 0.279) 3.071 7.090 ( 2.351 -0.264 -1.471) 2.786 7.124 ( -1.795 4.016 0.742) 4.460 7.196 ( 2.128 4.955 1.582) 5.620 7.241 ( -1.832 6.045 -1.928) 6.604 7.322 ( -2.080 2.318 1.378) 3.406 7.444 ( 1.169 -0.272 -1.388) 1.835 7.450 ( 3.540 4.270 -1.889) 5.859 7.530 ( 0.563 2.476 1.430) 2.914 7.609 ( -1.051 1.781 0.383) 2.103 7.632 ( 1.059 4.190 1.360) 4.531 7.697 ( 4.507 5.596 0.059) 7.185 7.723 ( 3.228 4.425 -1.232) 5.614 7.761 ( 0.557 1.183 0.650) 1.460 7.843 ( -3.480 2.012 0.291) 4.030 7.865 ( 1.439 2.537 -0.116) 2.919 7.960 ( -3.218 -1.423 -0.318) 3.532 8.119 ( -1.882 2.884 -0.091) 3.445 8.192 ( -3.790 1.246 -0.477) 4.018 8.256 ( 0.507 1.186 0.139) 1.298 8.377 ( -0.401 13.657 0.373) 13.668 8.385 ( 2.327 10.508 -0.902) 10.800 8.481 ( -0.321 -6.285 0.693) 6.331 8.509 ( -0.859 -4.841 -0.070) 4.917 9.151 ( -3.258 27.823 0.174) 28.014 9.160 ( -2.928 28.663 -0.182) 28.813 9.321 ( 1.835 8.057 0.228) 8.266 9.345 ( 2.029 8.827 -0.238) 9.060 9.946 ( 1.829 5.546 0.060) 5.840 9.982 ( 1.194 3.929 -0.023) 4.106 10.054 ( 5.860 10.279 0.334) 11.837 10.132 ( 4.847 3.947 -0.390) 6.262 10.474 ( -9.580 -0.623 0.115) 9.601 10.530 ( -9.578 0.313 -0.249) 9.586 10.802 ( 2.732 -0.961 -0.695) 2.978 10.829 ( 1.644 -1.562 0.682) 2.368 11.123 ( 1.237 0.505 0.628) 1.476 11.141 ( 1.470 -1.455 -0.516) 2.132 11.781 ( -0.813 -3.422 -0.471) 3.549 11.875 ( 2.212 -0.684 0.007) 2.315 12.049 ( 0.258 -8.266 0.894) 8.319 12.315 ( -2.246 -14.618 -0.216) 14.791 12.612 ( -0.195 11.514 -1.527) 11.616 12.614 ( -0.558 11.881 1.234) 11.958 12.866 ( 0.364 -7.042 -0.018) 7.051 12.896 ( -0.329 -7.994 0.113) 8.002 13.008 ( 0.584 15.975 0.337) 15.989 13.066 ( 0.416 15.088 -0.333) 15.098 14.263 ( 1.687 6.477 -0.086) 6.693 14.272 ( 1.875 5.797 0.115) 6.094 15.847 ( -0.894 30.099 0.058) 30.113 15.919 ( 0.581 30.271 -0.116) 30.277 16.593 ( -0.338 37.713 1.263) 37.736 16.773 ( -3.715 28.205 -1.423) 28.485 18.680 ( 0.533 -2.588 0.930) 2.801 18.722 ( -0.515 -5.675 -0.755) 5.748 20.952 ( 7.522 2.455 0.151) 7.914 20.986 ( 9.735 1.487 -0.235) 9.851 21.377 ( -6.846 0.096 -0.153) 6.848 21.474 ( -7.799 -2.550 0.239) 8.209 ======================= Grid point 22 (15/49) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 -1.386 -0.000) 1.386 2.124 ( 0.000 -1.698 0.000) 1.698 2.208 ( 0.000 9.528 -0.000) 9.528 2.251 ( 0.000 6.872 -0.000) 6.872 2.297 ( 0.000 9.335 -0.000) 9.335 2.305 ( -0.000 11.459 -0.000) 11.459 2.402 ( 0.000 14.200 -0.000) 14.200 2.423 ( -0.000 10.735 0.000) 10.735 2.521 ( 0.000 4.637 0.000) 4.637 2.588 ( 0.000 8.188 -0.000) 8.188 2.680 ( 0.000 4.764 0.000) 4.764 2.728 ( 0.000 6.044 -0.000) 6.044 2.782 ( 0.000 12.815 0.000) 12.815 2.803 ( -0.000 7.473 -0.000) 7.473 2.809 ( 0.000 -1.361 0.000) 1.361 2.940 ( 0.000 4.398 -0.000) 4.398 2.976 ( 0.000 -0.374 -0.000) 0.374 3.200 ( 0.000 4.683 -0.000) 4.683 3.294 ( 0.000 5.279 -0.000) 5.279 3.350 ( 0.000 -6.342 0.000) 6.342 3.445 ( 0.000 8.327 -0.000) 8.327 3.461 ( 0.000 3.937 0.000) 3.937 3.577 ( 0.000 9.087 0.000) 9.087 3.656 ( 0.000 -1.114 -0.000) 1.114 3.658 ( -0.000 6.657 -0.000) 6.657 3.705 ( 0.000 5.419 -0.000) 5.419 3.790 ( 0.000 7.098 -0.000) 7.098 3.900 ( -0.000 0.541 -0.000) 0.541 3.958 ( 0.000 8.650 0.000) 8.650 4.123 ( 0.000 6.382 -0.000) 6.382 4.200 ( 0.000 16.347 -0.000) 16.347 4.389 ( 0.000 14.236 -0.000) 14.236 4.561 ( 0.000 7.433 -0.000) 7.433 4.590 ( 0.000 7.830 -0.000) 7.830 4.630 ( 0.000 3.136 0.000) 3.136 4.876 ( 0.000 5.732 0.000) 5.732 5.036 ( 0.000 2.947 0.000) 2.947 5.088 ( 0.000 9.971 0.000) 9.971 5.091 ( 0.000 8.951 0.000) 8.951 5.210 ( 0.000 10.528 -0.000) 10.528 5.346 ( -0.000 7.017 -0.000) 7.017 5.381 ( 0.000 13.559 -0.000) 13.559 5.462 ( 0.000 5.030 -0.000) 5.030 5.474 ( -0.000 14.482 -0.000) 14.482 5.616 ( 0.000 1.919 -0.000) 1.919 5.647 ( 0.000 1.953 -0.000) 1.953 5.724 ( 0.000 1.206 0.000) 1.206 5.787 ( 0.000 -5.799 -0.000) 5.799 5.898 ( 0.000 0.139 0.000) 0.139 5.904 ( -0.000 8.931 -0.000) 8.931 6.081 ( 0.000 4.698 -0.000) 4.698 6.088 ( -0.000 1.281 0.000) 1.281 6.196 ( 0.000 4.051 -0.000) 4.051 6.393 ( 0.000 1.519 -0.000) 1.519 6.455 ( 0.000 3.078 -0.000) 3.078 6.537 ( 0.000 6.933 -0.000) 6.933 6.627 ( 0.000 1.987 -0.000) 1.987 6.652 ( 0.000 1.104 0.000) 1.104 6.655 ( -0.000 2.720 -0.000) 2.720 6.725 ( 0.000 2.714 0.000) 2.714 6.821 ( 0.000 -0.398 -0.000) 0.398 6.828 ( 0.000 9.358 -0.000) 9.358 6.915 ( 0.000 -2.347 -0.000) 2.347 6.954 ( -0.000 5.798 -0.000) 5.798 6.996 ( 0.000 1.048 -0.000) 1.048 7.070 ( 0.000 0.643 0.000) 0.643 7.086 ( 0.000 5.153 0.000) 5.153 7.087 ( -0.000 5.761 -0.000) 5.761 7.127 ( 0.000 -1.732 -0.000) 1.732 7.211 ( 0.000 4.336 0.000) 4.336 7.253 ( 0.000 3.273 0.000) 3.273 7.278 ( -0.000 1.600 -0.000) 1.600 7.441 ( 0.000 3.247 0.000) 3.247 7.520 ( 0.000 2.778 -0.000) 2.778 7.547 ( 0.000 -1.038 0.000) 1.038 7.555 ( -0.000 1.650 0.000) 1.650 7.635 ( 0.000 -1.865 0.000) 1.865 7.750 ( 0.000 4.589 0.000) 4.589 7.751 ( 0.000 2.445 -0.000) 2.445 7.783 ( 0.000 2.286 0.000) 2.286 7.852 ( 0.000 3.679 0.000) 3.679 7.902 ( 0.000 1.043 -0.000) 1.043 7.924 ( -0.000 8.500 -0.000) 8.500 8.102 ( 0.000 3.036 -0.000) 3.036 8.120 ( 0.000 -2.461 -0.000) 2.461 8.260 ( 0.000 0.511 -0.000) 0.511 8.353 ( 0.000 15.440 -0.000) 15.440 8.390 ( 0.000 13.709 -0.000) 13.709 8.497 ( -0.229 -8.806 0.005) 8.809 8.497 ( 0.229 -6.263 -0.005) 6.267 9.115 ( 0.000 28.971 -0.000) 28.971 9.129 ( 0.000 31.488 -0.000) 31.488 9.337 ( 0.000 8.337 0.000) 8.337 9.361 ( 0.000 11.845 -0.000) 11.845 9.966 ( 0.000 2.978 -0.000) 2.978 9.998 ( 0.000 2.158 -0.000) 2.158 10.187 ( 0.000 15.440 0.000) 15.440 10.234 ( 0.000 10.461 0.000) 10.461 10.320 ( 0.000 -6.375 -0.000) 6.375 10.365 ( 0.000 0.296 0.000) 0.296 10.830 ( -0.000 -2.847 0.000) 2.847 10.840 ( 0.000 -2.336 -0.000) 2.336 11.143 ( 0.000 -0.170 0.000) 0.170 11.158 ( 0.000 -2.225 -0.000) 2.225 11.771 ( 0.000 -3.191 0.000) 3.191 11.903 ( 0.000 -0.759 0.000) 0.759 12.055 ( 0.000 -8.371 -0.000) 8.371 12.284 ( 0.000 -14.061 -0.000) 14.061 12.608 ( 0.241 11.460 -1.055) 11.511 12.608 ( -0.241 12.741 1.055) 12.786 12.872 ( 0.000 -5.903 -0.000) 5.903 12.891 ( 0.000 -9.263 -0.000) 9.263 13.016 ( 0.000 15.755 -0.000) 15.755 13.071 ( 0.000 14.836 -0.000) 14.836 14.285 ( 0.000 6.456 -0.000) 6.456 14.297 ( 0.000 5.542 -0.000) 5.542 15.836 ( 0.000 29.602 -0.000) 29.602 15.926 ( 0.000 30.051 0.000) 30.051 16.592 ( 0.000 36.982 -0.000) 36.982 16.719 ( 0.000 32.794 -0.000) 32.794 18.690 ( 0.000 -3.195 -0.000) 3.195 18.712 ( 0.000 -5.444 0.000) 5.444 21.103 ( 0.000 1.174 -0.000) 1.174 21.178 ( -0.000 -0.225 -0.000) 0.225 21.240 ( 0.000 -0.693 -0.000) 0.693 21.301 ( 0.000 -0.537 0.000) 0.537 ======================= Grid point 25 (16/49) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 -1.445 0.000) 1.445 1.976 ( 0.000 -11.291 0.000) 11.291 2.349 ( 0.000 3.698 0.000) 3.698 2.378 ( 0.000 4.144 0.000) 4.144 2.394 ( 0.000 8.237 0.000) 8.237 2.557 ( 0.000 2.505 0.000) 2.505 2.600 ( 0.000 0.860 0.000) 0.860 2.640 ( 0.000 10.556 0.000) 10.556 2.685 ( 0.000 4.682 0.000) 4.682 2.691 ( 0.000 6.070 0.000) 6.070 2.726 ( 0.000 1.090 0.000) 1.090 2.793 ( 0.000 5.588 0.000) 5.588 2.802 ( 0.000 8.511 0.000) 8.511 2.872 ( 0.000 2.262 0.000) 2.262 2.906 ( 0.000 -3.840 0.000) 3.840 2.979 ( 0.000 0.712 0.000) 0.712 3.033 ( 0.000 5.198 0.000) 5.198 3.186 ( 0.000 -4.269 0.000) 4.269 3.263 ( 0.000 -1.657 0.000) 1.657 3.295 ( 0.000 -2.850 0.000) 2.850 3.472 ( 0.000 -6.104 0.000) 6.104 3.537 ( 0.000 -4.394 0.000) 4.394 3.629 ( 0.000 10.716 0.000) 10.716 3.705 ( 0.000 8.774 0.000) 8.774 3.786 ( 0.000 8.592 0.000) 8.592 3.832 ( 0.000 9.680 0.000) 9.680 4.123 ( 0.000 3.951 0.000) 3.951 4.157 ( 0.000 10.168 0.000) 10.168 4.185 ( 0.000 7.598 0.000) 7.598 4.237 ( 0.000 8.454 0.000) 8.454 4.291 ( 0.000 1.641 0.000) 1.641 4.402 ( 0.000 4.312 0.000) 4.312 4.624 ( 0.000 2.692 0.000) 2.692 4.774 ( 0.000 16.154 0.000) 16.154 4.853 ( 0.000 -2.345 0.000) 2.345 4.883 ( 0.000 13.182 0.000) 13.182 5.128 ( 0.000 1.465 0.000) 1.465 5.251 ( 0.000 9.106 0.000) 9.106 5.310 ( 0.000 6.100 0.000) 6.100 5.322 ( 0.000 8.126 0.000) 8.126 5.380 ( 0.000 3.413 0.000) 3.413 5.486 ( 0.000 1.440 0.000) 1.440 5.506 ( 0.000 -6.697 0.000) 6.697 5.579 ( 0.000 1.075 0.000) 1.075 5.619 ( 0.000 1.845 0.000) 1.845 5.724 ( 0.000 4.989 0.000) 4.989 5.879 ( 0.000 6.397 0.000) 6.397 5.922 ( 0.000 4.687 0.000) 4.687 5.970 ( 0.000 12.313 0.000) 12.313 6.033 ( 0.000 2.682 0.000) 2.682 6.267 ( 0.000 0.936 0.000) 0.936 6.269 ( 0.000 7.569 0.000) 7.569 6.339 ( 0.000 3.565 0.000) 3.565 6.401 ( 0.000 1.007 0.000) 1.007 6.514 ( 0.000 -1.365 0.000) 1.365 6.554 ( 0.000 -3.598 0.000) 3.598 6.597 ( 0.000 12.352 0.000) 12.352 6.733 ( 0.000 4.033 0.000) 4.033 6.771 ( 0.000 2.934 0.000) 2.934 6.787 ( 0.000 -5.389 0.000) 5.389 6.797 ( 0.000 1.077 0.000) 1.077 6.867 ( 0.000 2.615 0.000) 2.615 6.970 ( 0.000 -0.788 0.000) 0.788 7.026 ( 0.000 0.150 0.000) 0.150 7.041 ( 0.000 1.234 0.000) 1.234 7.064 ( 0.000 3.014 0.000) 3.014 7.080 ( 0.000 -0.144 0.000) 0.144 7.100 ( 0.000 6.470 0.000) 6.470 7.234 ( 0.000 4.013 0.000) 4.013 7.297 ( 0.000 5.874 0.000) 5.874 7.350 ( 0.000 -2.607 0.000) 2.607 7.370 ( 0.000 0.073 0.000) 0.073 7.403 ( 0.000 3.250 0.000) 3.250 7.444 ( 0.000 -0.217 0.000) 0.217 7.612 ( 0.000 5.526 0.000) 5.526 7.641 ( 0.000 -2.708 0.000) 2.708 7.659 ( 0.000 -2.690 0.000) 2.690 7.723 ( 0.000 1.864 0.000) 1.864 7.747 ( 0.000 5.191 0.000) 5.191 7.805 ( 0.000 4.554 0.000) 4.554 7.881 ( 0.000 -2.340 0.000) 2.340 7.916 ( 0.000 2.516 0.000) 2.516 7.993 ( 0.000 3.352 0.000) 3.352 8.172 ( 0.000 -4.653 0.000) 4.653 8.219 ( 0.000 -0.038 0.000) 0.038 8.266 ( 0.000 -0.697 0.000) 0.697 8.313 ( 0.000 -2.709 0.000) 2.709 8.321 ( 0.000 -5.669 0.000) 5.669 8.470 ( 0.000 -4.055 0.000) 4.055 8.531 ( 0.000 -2.717 0.000) 2.717 9.258 ( 0.000 -0.126 0.000) 0.126 9.291 ( 0.000 -0.042 0.000) 0.042 9.664 ( 0.000 11.277 0.000) 11.277 9.696 ( 0.000 12.553 0.000) 12.553 10.022 ( 0.000 0.855 0.000) 0.855 10.069 ( 0.000 2.690 0.000) 2.690 10.353 ( 0.000 13.913 0.000) 13.913 10.353 ( 0.000 15.611 0.000) 15.611 10.586 ( 0.000 8.893 0.000) 8.893 10.607 ( 0.000 7.201 0.000) 7.201 10.836 ( 0.000 4.773 0.000) 4.773 10.852 ( 0.000 3.262 0.000) 3.262 11.146 ( 0.000 2.182 0.000) 2.182 11.161 ( 0.000 3.004 0.000) 3.004 11.725 ( 0.000 -2.141 0.000) 2.141 11.852 ( 0.000 -0.963 0.000) 0.963 11.913 ( 0.000 -2.198 0.000) 2.198 12.119 ( 0.000 -7.397 0.000) 7.397 12.729 ( 0.000 -4.821 0.000) 4.821 12.768 ( 0.000 -5.643 0.000) 5.643 12.837 ( 0.000 10.490 0.000) 10.490 12.853 ( 0.000 10.591 0.000) 10.591 13.332 ( 0.000 16.206 0.000) 16.206 13.368 ( 0.000 14.798 0.000) 14.798 14.325 ( 0.000 2.292 0.000) 2.292 14.329 ( 0.000 2.634 0.000) 2.634 16.299 ( 0.000 14.537 0.000) 14.537 16.326 ( 0.000 12.992 0.000) 12.992 17.171 ( 0.000 20.590 0.000) 20.590 17.229 ( 0.000 16.042 0.000) 16.042 18.641 ( 0.000 -1.210 0.000) 1.210 18.650 ( 0.000 -2.435 0.000) 2.435 20.932 ( 0.000 3.028 0.000) 3.028 20.940 ( 0.000 2.942 0.000) 2.942 21.467 ( 0.000 1.253 0.000) 1.253 21.524 ( 0.000 -0.923 0.000) 0.923 ======================= Grid point 26 (17/49) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.851 -0.378 0.108) 0.938 1.981 ( 0.408 -10.488 -0.419) 10.504 2.350 ( 0.058 3.808 0.455) 3.836 2.371 ( -0.461 4.329 -0.538) 4.387 2.405 ( 0.852 7.036 0.428) 7.100 2.513 ( -2.504 4.005 0.006) 4.724 2.599 ( -2.350 1.216 -0.832) 2.773 2.637 ( 0.525 9.137 0.467) 9.164 2.665 ( -0.872 6.158 -0.198) 6.223 2.696 ( 1.107 5.124 0.723) 5.291 2.719 ( 1.565 5.438 -1.475) 5.848 2.801 ( -0.815 0.998 -0.610) 1.426 2.859 ( -1.085 1.785 3.916) 4.438 2.879 ( 2.759 4.842 -0.506) 5.595 2.912 ( 0.874 -1.349 -0.132) 1.613 2.961 ( 0.557 4.292 0.159) 4.331 3.041 ( 0.131 3.953 -1.184) 4.128 3.223 ( 2.535 -2.706 -0.037) 3.708 3.266 ( -0.239 -0.583 0.741) 0.972 3.302 ( 0.752 -2.183 -0.872) 2.468 3.497 ( 2.109 -6.434 -1.133) 6.865 3.530 ( -0.883 -3.715 0.680) 3.878 3.669 ( 2.455 8.770 1.638) 9.253 3.693 ( -0.305 8.850 -2.004) 9.080 3.736 ( -1.558 7.253 -0.420) 7.431 3.798 ( -2.062 8.319 0.270) 8.574 4.012 ( -8.616 3.507 0.197) 9.304 4.049 ( -6.557 1.826 -0.783) 6.851 4.158 ( -0.223 8.901 0.030) 8.904 4.225 ( -1.025 6.276 1.508) 6.535 4.460 ( 7.592 10.302 -1.985) 12.951 4.511 ( 8.181 7.627 2.526) 11.466 4.634 ( 1.313 2.218 0.389) 2.607 4.760 ( -1.508 14.399 0.719) 14.495 4.827 ( -1.850 4.327 -1.127) 4.839 4.904 ( 1.757 6.021 -1.094) 6.367 5.103 ( -1.974 2.010 0.628) 2.886 5.276 ( 1.662 9.017 -0.386) 9.177 5.283 ( -0.329 7.843 0.600) 7.873 5.361 ( 0.520 4.556 -0.901) 4.673 5.395 ( 1.556 2.024 -0.107) 2.555 5.472 ( -0.673 1.651 -0.035) 1.783 5.520 ( 1.086 -4.836 0.324) 4.967 5.598 ( 1.711 0.706 -1.719) 2.526 5.652 ( 2.117 0.564 2.324) 3.194 5.712 ( -0.547 5.189 -0.949) 5.303 5.838 ( -2.721 6.819 -0.533) 7.361 5.903 ( -5.344 10.988 2.043) 12.389 5.938 ( 0.743 5.580 -0.218) 5.634 6.055 ( 1.589 2.801 -0.280) 3.233 6.189 ( -5.547 7.742 -0.038) 9.524 6.243 ( -2.667 2.728 -0.515) 3.849 6.301 ( -3.089 3.250 0.478) 4.509 6.411 ( 0.719 1.390 -0.127) 1.570 6.542 ( 2.244 0.658 -2.168) 3.189 6.563 ( 0.693 -1.871 3.117) 3.701 6.603 ( 1.442 6.242 -0.669) 6.441 6.693 ( -1.990 4.498 -0.641) 4.961 6.756 ( -2.000 -5.889 -0.523) 6.242 6.791 ( -2.167 3.854 -0.393) 4.439 6.808 ( 0.793 2.329 0.617) 2.537 6.864 ( 0.914 3.206 -0.974) 3.473 6.977 ( 0.943 -0.427 -2.477) 2.684 7.018 ( 0.350 2.023 -0.408) 2.093 7.046 ( -0.198 2.483 1.996) 3.192 7.061 ( 0.104 0.546 3.395) 3.440 7.107 ( -0.359 3.936 0.038) 3.953 7.130 ( 3.354 2.592 2.233) 4.791 7.218 ( -0.951 4.225 -0.923) 4.428 7.270 ( -1.298 1.986 -0.301) 2.391 7.324 ( -1.460 1.021 -2.008) 2.685 7.356 ( -2.397 1.752 -1.137) 3.179 7.427 ( 2.321 -0.802 0.592) 2.526 7.483 ( 1.173 0.566 -0.382) 1.357 7.536 ( -3.296 -1.608 0.496) 3.701 7.632 ( -2.342 0.837 -0.002) 2.487 7.654 ( -0.082 1.818 0.648) 1.932 7.721 ( 0.563 -0.976 -1.055) 1.544 7.776 ( -1.015 -0.200 -1.435) 1.769 7.808 ( 1.104 2.134 0.501) 2.454 7.869 ( 2.967 1.582 1.963) 3.894 7.928 ( -1.058 0.036 0.278) 1.094 7.976 ( 1.562 4.679 -0.361) 4.946 8.179 ( -1.209 0.248 1.021) 1.602 8.191 ( -2.702 1.722 -0.556) 3.252 8.261 ( 1.160 -6.826 0.696) 6.958 8.279 ( -1.349 -5.296 -2.146) 5.871 8.349 ( -0.237 -3.035 0.854) 3.162 8.492 ( 1.833 -0.982 -0.657) 2.181 8.545 ( 0.315 -0.237 0.493) 0.631 9.319 ( 4.237 1.181 0.793) 4.469 9.357 ( 5.271 1.945 -0.844) 5.681 9.667 ( -0.201 11.996 0.743) 12.021 9.699 ( 0.481 12.768 -0.648) 12.793 10.023 ( 0.132 0.149 -0.005) 0.199 10.054 ( -1.214 1.469 -0.050) 1.906 10.324 ( -1.798 10.150 -0.057) 10.308 10.335 ( -1.526 10.592 0.072) 10.702 10.571 ( -0.644 14.923 -0.478) 14.945 10.614 ( 0.198 12.032 0.472) 12.043 10.826 ( -0.801 2.909 -0.044) 3.018 10.843 ( -0.934 1.937 0.031) 2.151 11.153 ( 0.496 2.167 0.289) 2.242 11.164 ( 0.194 2.668 -0.281) 2.689 11.720 ( -0.353 -1.941 -0.288) 1.993 11.868 ( 1.132 -2.383 0.311) 2.657 11.916 ( 0.217 -1.699 0.234) 1.729 12.103 ( -1.201 -6.666 -0.210) 6.777 12.735 ( 0.459 -5.184 0.022) 5.204 12.765 ( -0.262 -5.344 -0.138) 5.352 12.840 ( 0.178 10.967 0.211) 10.971 12.855 ( 0.120 10.987 -0.124) 10.988 13.333 ( 0.117 15.892 0.118) 15.893 13.368 ( 0.042 14.581 -0.108) 14.581 14.346 ( 1.589 2.184 0.136) 2.704 14.349 ( 1.580 2.533 -0.135) 2.988 16.283 ( -1.084 14.666 -0.029) 14.706 16.333 ( 0.354 12.924 -0.003) 12.928 17.167 ( -0.420 20.670 0.901) 20.694 17.226 ( -0.070 17.184 -0.902) 17.208 18.640 ( -0.066 -1.522 -0.037) 1.524 18.646 ( -0.316 -2.293 0.062) 2.316 21.004 ( 6.373 2.426 -0.062) 6.819 21.022 ( 7.187 1.741 0.058) 7.395 21.397 ( -6.145 1.660 -0.030) 6.365 21.450 ( -6.639 -0.314 0.039) 6.647 ======================= Grid point 27 (18/49) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 0.664 0.000) 0.664 1.985 ( 0.000 -9.607 0.000) 9.607 2.355 ( -0.000 3.945 -0.000) 3.945 2.361 ( 0.000 4.444 0.000) 4.444 2.419 ( 0.000 5.159 0.000) 5.159 2.483 ( 0.000 6.176 -0.000) 6.176 2.565 ( 0.000 1.681 0.000) 1.681 2.639 ( 0.000 8.166 -0.000) 8.166 2.659 ( 0.000 8.247 -0.000) 8.247 2.737 ( 0.000 7.322 0.000) 7.322 2.743 ( -0.000 4.286 -0.000) 4.286 2.761 ( 0.000 -2.841 -0.000) 2.841 2.836 ( 0.000 3.626 -0.000) 3.626 2.895 ( 0.000 -3.435 -0.000) 3.435 2.947 ( 0.000 6.133 0.000) 6.133 2.982 ( 0.000 2.326 0.000) 2.326 3.036 ( 0.000 6.752 -0.000) 6.752 3.255 ( 0.000 -1.907 0.000) 1.907 3.259 ( 0.000 0.564 -0.000) 0.564 3.308 ( 0.000 -1.398 -0.000) 1.398 3.516 ( 0.000 -2.093 0.000) 2.093 3.523 ( 0.000 -5.539 -0.000) 5.539 3.649 ( 0.000 9.477 -0.000) 9.477 3.742 ( 0.000 4.860 -0.000) 4.860 3.757 ( 0.000 6.603 0.000) 6.603 3.800 ( 0.000 3.030 -0.000) 3.030 3.893 ( 0.000 1.469 0.000) 1.469 3.922 ( -0.000 3.516 -0.000) 3.516 4.155 ( 0.000 9.085 0.000) 9.085 4.215 ( 0.000 6.333 -0.000) 6.333 4.533 ( 0.000 13.506 -0.000) 13.506 4.633 ( 0.000 9.855 -0.000) 9.855 4.664 ( 0.000 3.469 0.000) 3.469 4.736 ( 0.000 8.560 0.000) 8.560 4.790 ( 0.000 9.763 -0.000) 9.763 4.929 ( 0.000 1.417 -0.000) 1.417 5.077 ( 0.000 1.493 0.000) 1.493 5.290 ( 0.000 9.605 0.000) 9.605 5.295 ( 0.000 9.579 -0.000) 9.579 5.356 ( 0.000 0.832 -0.000) 0.832 5.409 ( 0.000 1.731 -0.000) 1.731 5.466 ( 0.000 0.392 -0.000) 0.392 5.535 ( -0.000 -2.337 -0.000) 2.337 5.640 ( 0.000 -1.587 -0.000) 1.587 5.669 ( 0.000 2.062 -0.000) 2.062 5.708 ( 0.000 3.368 -0.000) 3.368 5.788 ( 0.000 10.211 0.000) 10.211 5.841 ( 0.000 11.372 -0.000) 11.372 5.949 ( 0.000 4.128 -0.000) 4.128 6.062 ( 0.000 4.125 -0.000) 4.125 6.137 ( 0.000 5.213 0.000) 5.213 6.187 ( 0.000 5.634 0.000) 5.634 6.262 ( 0.000 2.459 -0.000) 2.459 6.419 ( 0.000 1.756 -0.000) 1.756 6.564 ( 0.000 6.404 -0.000) 6.404 6.577 ( 0.000 -4.864 0.000) 4.864 6.653 ( 0.000 1.843 -0.000) 1.843 6.678 ( 0.000 2.603 -0.000) 2.603 6.706 ( -0.000 2.653 -0.000) 2.653 6.737 ( 0.000 -4.788 -0.000) 4.788 6.817 ( 0.000 5.627 0.000) 5.627 6.883 ( 0.000 1.813 -0.000) 1.813 6.970 ( 0.000 5.229 -0.000) 5.229 7.029 ( 0.000 0.778 -0.000) 0.778 7.059 ( 0.000 3.434 0.000) 3.434 7.086 ( 0.000 -1.436 0.000) 1.436 7.088 ( 0.000 3.399 -0.000) 3.399 7.188 ( -0.000 3.765 -0.000) 3.765 7.194 ( 0.000 4.845 -0.000) 4.845 7.264 ( 0.000 1.374 -0.000) 1.374 7.296 ( 0.000 0.247 -0.000) 0.247 7.305 ( -0.000 0.871 0.000) 0.871 7.469 ( 0.000 -4.841 -0.000) 4.841 7.484 ( 0.000 2.110 0.000) 2.110 7.521 ( 0.000 -2.000 -0.000) 2.000 7.555 ( -0.000 -1.011 -0.000) 1.011 7.655 ( 0.000 3.460 0.000) 3.460 7.759 ( 0.000 0.055 -0.000) 0.055 7.772 ( 0.000 -0.515 -0.000) 0.515 7.802 ( 0.000 1.466 0.000) 1.466 7.879 ( 0.000 -2.101 -0.000) 2.101 7.956 ( 0.000 2.310 -0.000) 2.310 8.053 ( 0.000 2.557 -0.000) 2.557 8.109 ( -0.000 -0.489 -0.000) 0.489 8.160 ( -0.000 3.074 -0.000) 3.074 8.249 ( 0.000 -5.842 -0.000) 5.842 8.303 ( 0.000 -2.181 -0.000) 2.181 8.327 ( 0.000 -8.084 0.000) 8.084 8.515 ( 0.000 1.688 -0.000) 1.688 8.543 ( 0.000 2.787 -0.000) 2.787 9.374 ( 0.000 3.182 -0.000) 3.182 9.430 ( 0.000 4.054 0.000) 4.054 9.661 ( 0.000 12.998 -0.000) 12.998 9.704 ( 0.000 12.268 -0.000) 12.268 10.028 ( 0.000 -1.385 0.000) 1.385 10.036 ( 0.000 1.268 -0.000) 1.268 10.302 ( 0.000 6.116 0.000) 6.116 10.315 ( 0.000 5.938 -0.000) 5.938 10.565 ( 0.000 20.455 0.000) 20.455 10.615 ( 0.000 16.810 -0.000) 16.810 10.816 ( -0.000 1.139 0.000) 1.139 10.827 ( 0.000 0.437 -0.000) 0.437 11.163 ( 0.000 2.109 0.000) 2.109 11.163 ( -0.000 2.328 -0.000) 2.328 11.715 ( 0.000 -1.801 0.000) 1.801 11.884 ( 0.000 -4.242 -0.000) 4.242 11.920 ( 0.000 -0.833 -0.000) 0.833 12.086 ( 0.000 -5.818 -0.000) 5.818 12.742 ( 0.000 -5.683 -0.000) 5.683 12.761 ( 0.000 -5.020 -0.000) 5.020 12.842 ( 0.000 11.630 -0.000) 11.630 12.856 ( 0.000 11.313 0.000) 11.313 13.335 ( 0.000 15.579 -0.000) 15.579 13.369 ( 0.000 14.361 -0.000) 14.361 14.367 ( 0.000 2.056 -0.000) 2.056 14.370 ( 0.000 2.454 0.000) 2.454 16.269 ( 0.000 14.888 -0.000) 14.888 16.337 ( 0.000 12.769 0.000) 12.769 17.163 ( 0.000 20.819 0.000) 20.819 17.224 ( 0.000 18.240 -0.000) 18.240 18.640 ( -0.000 -2.195 -0.000) 2.195 18.641 ( 0.000 -1.790 -0.000) 1.790 21.125 ( 0.000 0.879 -0.000) 0.879 21.158 ( 0.000 -0.970 -0.000) 0.970 21.280 ( 0.000 3.095 -0.000) 3.095 21.320 ( 0.000 1.739 0.000) 1.739 ======================= Grid point 30 (19/49) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 4.352 0.000) 4.352 1.755 ( 0.000 -10.106 0.000) 10.106 2.402 ( 0.000 1.743 0.000) 1.743 2.418 ( 0.000 0.261 0.000) 0.261 2.506 ( 0.000 4.121 0.000) 4.121 2.566 ( 0.000 -1.626 0.000) 1.626 2.602 ( 0.000 1.315 0.000) 1.315 2.658 ( 0.000 -3.889 0.000) 3.889 2.771 ( 0.000 3.285 0.000) 3.285 2.782 ( 0.000 3.050 0.000) 3.050 2.845 ( 0.000 -1.308 0.000) 1.308 2.853 ( 0.000 6.801 0.000) 6.801 2.864 ( 0.000 -0.427 0.000) 0.427 2.899 ( 0.000 0.419 0.000) 0.419 2.914 ( 0.000 3.796 0.000) 3.796 3.009 ( 0.000 -2.129 0.000) 2.129 3.118 ( 0.000 3.744 0.000) 3.744 3.146 ( 0.000 2.422 0.000) 2.422 3.227 ( 0.000 -0.869 0.000) 0.869 3.294 ( 0.000 1.032 0.000) 1.032 3.340 ( 0.000 -4.617 0.000) 4.617 3.422 ( 0.000 -6.437 0.000) 6.437 3.786 ( 0.000 4.861 0.000) 4.861 3.816 ( 0.000 2.079 0.000) 2.079 3.927 ( 0.000 4.954 0.000) 4.954 3.968 ( 0.000 1.930 0.000) 1.930 4.183 ( 0.000 3.743 0.000) 3.743 4.250 ( 0.000 -2.020 0.000) 2.020 4.303 ( 0.000 4.401 0.000) 4.401 4.310 ( 0.000 3.800 0.000) 3.800 4.414 ( 0.000 4.975 0.000) 4.975 4.450 ( 0.000 1.033 0.000) 1.033 4.682 ( 0.000 3.752 0.000) 3.752 4.773 ( 0.000 -4.979 0.000) 4.979 5.025 ( 0.000 7.224 0.000) 7.224 5.060 ( 0.000 3.792 0.000) 3.792 5.171 ( 0.000 3.536 0.000) 3.536 5.278 ( 0.000 -6.157 0.000) 6.157 5.380 ( 0.000 0.771 0.000) 0.771 5.393 ( 0.000 2.002 0.000) 2.002 5.408 ( 0.000 0.532 0.000) 0.532 5.435 ( 0.000 -0.342 0.000) 0.342 5.593 ( 0.000 6.775 0.000) 6.775 5.619 ( 0.000 2.180 0.000) 2.180 5.661 ( 0.000 2.005 0.000) 2.005 5.734 ( 0.000 -3.060 0.000) 3.060 6.001 ( 0.000 3.347 0.000) 3.347 6.004 ( 0.000 3.981 0.000) 3.981 6.107 ( 0.000 3.948 0.000) 3.948 6.142 ( 0.000 2.736 0.000) 2.736 6.265 ( 0.000 1.253 0.000) 1.253 6.321 ( 0.000 -2.150 0.000) 2.150 6.393 ( 0.000 2.247 0.000) 2.247 6.446 ( 0.000 -3.521 0.000) 3.521 6.461 ( 0.000 4.430 0.000) 4.430 6.539 ( 0.000 -1.386 0.000) 1.386 6.667 ( 0.000 -1.051 0.000) 1.051 6.714 ( 0.000 -2.683 0.000) 2.683 6.832 ( 0.000 3.339 0.000) 3.339 6.860 ( 0.000 5.736 0.000) 5.736 6.890 ( 0.000 6.507 0.000) 6.507 6.937 ( 0.000 3.752 0.000) 3.752 6.958 ( 0.000 1.860 0.000) 1.860 6.999 ( 0.000 -2.206 0.000) 2.206 7.027 ( 0.000 -2.900 0.000) 2.900 7.035 ( 0.000 -4.250 0.000) 4.250 7.152 ( 0.000 5.007 0.000) 5.007 7.241 ( 0.000 0.309 0.000) 0.309 7.250 ( 0.000 2.345 0.000) 2.345 7.306 ( 0.000 -1.695 0.000) 1.695 7.364 ( 0.000 0.517 0.000) 0.517 7.381 ( 0.000 1.813 0.000) 1.813 7.434 ( 0.000 0.251 0.000) 0.251 7.452 ( 0.000 -0.107 0.000) 0.107 7.595 ( 0.000 -1.112 0.000) 1.112 7.600 ( 0.000 -1.623 0.000) 1.623 7.716 ( 0.000 4.295 0.000) 4.295 7.757 ( 0.000 3.082 0.000) 3.082 7.793 ( 0.000 -3.447 0.000) 3.447 7.801 ( 0.000 0.566 0.000) 0.566 7.931 ( 0.000 3.574 0.000) 3.574 7.949 ( 0.000 0.843 0.000) 0.843 8.056 ( 0.000 -4.150 0.000) 4.150 8.067 ( 0.000 -1.390 0.000) 1.390 8.186 ( 0.000 1.207 0.000) 1.207 8.244 ( 0.000 1.517 0.000) 1.517 8.270 ( 0.000 -2.709 0.000) 2.709 8.278 ( 0.000 -1.369 0.000) 1.369 8.392 ( 0.000 -2.463 0.000) 2.463 8.419 ( 0.000 -5.669 0.000) 5.669 9.258 ( 0.000 0.333 0.000) 0.333 9.275 ( 0.000 -1.214 0.000) 1.214 9.821 ( 0.000 6.584 0.000) 6.584 9.877 ( 0.000 6.785 0.000) 6.785 9.962 ( 0.000 -4.953 0.000) 4.953 10.028 ( 0.000 -5.672 0.000) 5.672 10.442 ( 0.000 1.369 0.000) 1.369 10.450 ( 0.000 0.806 0.000) 0.806 10.835 ( 0.000 6.772 0.000) 6.772 10.851 ( 0.000 7.033 0.000) 7.033 10.913 ( 0.000 3.264 0.000) 3.264 10.932 ( 0.000 3.314 0.000) 3.314 11.194 ( 0.000 2.736 0.000) 2.736 11.209 ( 0.000 1.626 0.000) 1.626 11.721 ( 0.000 1.437 0.000) 1.437 11.775 ( 0.000 -3.920 0.000) 3.920 11.970 ( 0.000 3.959 0.000) 3.959 12.031 ( 0.000 -2.650 0.000) 2.650 12.665 ( 0.000 -1.295 0.000) 1.295 12.682 ( 0.000 -2.842 0.000) 2.842 13.004 ( 0.000 5.143 0.000) 5.143 13.011 ( 0.000 4.439 0.000) 4.439 13.582 ( 0.000 7.563 0.000) 7.563 13.593 ( 0.000 6.423 0.000) 6.423 14.352 ( 0.000 0.691 0.000) 0.691 14.356 ( 0.000 0.373 0.000) 0.373 16.472 ( 0.000 3.900 0.000) 3.900 16.477 ( 0.000 3.271 0.000) 3.271 17.431 ( 0.000 6.335 0.000) 6.335 17.440 ( 0.000 5.197 0.000) 5.197 18.622 ( 0.000 -0.556 0.000) 0.556 18.623 ( 0.000 -0.548 0.000) 0.548 20.976 ( 0.000 1.298 0.000) 1.298 20.980 ( 0.000 0.957 0.000) 0.957 21.492 ( 0.000 1.161 0.000) 1.161 21.510 ( 0.000 -0.686 0.000) 0.686 ======================= Grid point 31 (20/49) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 1.886 4.556 0.124) 4.932 1.775 ( 1.492 -9.483 -0.155) 9.601 2.403 ( 0.188 1.762 -0.002) 1.772 2.417 ( -0.141 0.558 0.112) 0.586 2.505 ( -0.112 3.791 -0.114) 3.794 2.552 ( -0.937 -0.278 -0.086) 0.981 2.600 ( -0.662 0.602 -0.099) 0.901 2.650 ( -0.171 -3.726 -0.062) 3.730 2.762 ( -0.971 2.842 0.409) 3.031 2.776 ( -0.706 2.526 0.191) 2.630 2.832 ( -0.097 1.111 -0.095) 1.119 2.849 ( -0.030 4.221 -1.276) 4.410 2.865 ( -0.184 -1.131 1.107) 1.593 2.870 ( -0.880 1.429 0.224) 1.693 2.969 ( 2.432 1.623 0.067) 2.925 3.008 ( 0.219 -0.458 0.137) 0.526 3.145 ( 2.481 5.717 -0.916) 6.299 3.206 ( 3.858 0.247 -0.111) 3.867 3.248 ( 1.583 0.499 0.560) 1.752 3.310 ( 0.776 3.360 -0.240) 3.456 3.358 ( 1.877 -7.006 -0.285) 7.259 3.422 ( -0.041 -6.263 0.338) 6.273 3.780 ( -0.425 3.129 0.704) 3.235 3.799 ( -1.201 1.655 -0.677) 2.154 3.878 ( -3.376 5.372 -0.512) 6.365 3.919 ( -3.429 2.027 -0.099) 3.985 4.051 ( -8.750 1.603 -0.326) 8.901 4.062 ( -7.501 0.414 0.730) 7.548 4.303 ( -0.348 4.842 -0.002) 4.855 4.327 ( -0.605 2.546 0.362) 2.642 4.613 ( 10.923 3.967 -0.153) 11.622 4.621 ( 10.684 3.717 1.118) 11.367 4.686 ( 0.726 3.959 0.246) 4.033 4.784 ( 2.038 -4.730 0.438) 5.169 4.992 ( -3.231 7.292 -0.521) 7.993 5.037 ( -2.483 2.818 -1.185) 3.938 5.154 ( -1.980 3.953 0.186) 4.425 5.270 ( -1.907 -7.385 0.142) 7.628 5.387 ( 1.548 2.153 -0.885) 2.795 5.400 ( 2.229 3.816 -0.707) 4.475 5.415 ( 0.619 0.246 -0.182) 0.690 5.463 ( 2.124 -1.917 -0.153) 2.865 5.584 ( -0.821 6.232 0.606) 6.315 5.630 ( -0.526 1.554 0.969) 1.906 5.663 ( 0.927 1.108 0.638) 1.579 5.724 ( -0.540 -2.673 -1.621) 3.172 5.969 ( -1.764 4.506 0.404) 4.856 6.001 ( -0.971 1.959 0.200) 2.195 6.077 ( -3.038 4.147 0.675) 5.185 6.113 ( -1.893 1.129 0.375) 2.236 6.278 ( 0.547 1.872 -0.726) 2.081 6.285 ( -2.460 2.067 0.026) 3.214 6.366 ( -2.445 3.567 0.311) 4.336 6.448 ( 0.705 -2.964 -1.501) 3.396 6.475 ( 0.355 2.073 2.398) 3.190 6.560 ( 1.497 -3.476 0.463) 3.813 6.661 ( -0.227 0.452 -0.059) 0.509 6.696 ( -1.122 -0.250 -1.035) 1.547 6.765 ( -3.376 3.366 -1.246) 4.928 6.809 ( -3.655 0.038 -0.823) 3.747 6.912 ( 2.253 3.252 1.821) 4.355 6.956 ( -1.199 0.070 -1.333) 1.795 6.982 ( 2.382 5.139 -3.419) 6.616 7.029 ( 4.175 2.889 2.133) 5.507 7.062 ( 1.631 -1.668 0.799) 2.466 7.085 ( 1.013 0.249 2.134) 2.375 7.159 ( 2.711 1.591 1.459) 3.465 7.217 ( -0.952 -2.970 0.189) 3.124 7.229 ( -2.445 5.384 0.178) 5.916 7.298 ( -1.224 -0.564 -1.678) 2.152 7.314 ( -1.688 0.332 -0.882) 1.933 7.355 ( -3.935 -2.258 0.885) 4.623 7.422 ( 0.217 1.167 0.021) 1.187 7.475 ( -0.365 -3.060 0.335) 3.100 7.552 ( -2.653 5.131 0.062) 5.777 7.644 ( 3.202 -1.098 -0.196) 3.390 7.682 ( -0.993 0.411 -2.618) 2.830 7.719 ( -2.016 -1.599 -2.097) 3.319 7.775 ( -2.409 3.758 1.549) 4.724 7.827 ( 0.478 0.157 2.843) 2.887 7.895 ( -2.080 2.095 0.567) 3.006 7.959 ( 1.535 1.516 -0.377) 2.190 8.004 ( -2.027 -2.093 -2.227) 3.667 8.073 ( 0.286 -9.265 1.437) 9.380 8.131 ( -0.284 -0.738 0.055) 0.793 8.169 ( -1.253 -3.742 0.239) 3.954 8.276 ( -3.056 4.269 0.109) 5.252 8.348 ( -3.673 -2.003 -0.645) 4.232 8.478 ( 8.359 1.271 -0.081) 8.455 8.515 ( 7.086 -1.750 0.317) 7.306 9.323 ( 4.974 0.208 0.337) 4.989 9.345 ( 5.590 -1.784 -0.401) 5.881 9.817 ( -0.822 5.266 0.474) 5.351 9.858 ( -1.903 3.908 -0.449) 4.369 9.972 ( 1.071 -2.445 0.042) 2.670 10.017 ( -0.613 -4.102 -0.077) 4.149 10.426 ( -1.100 2.222 -0.165) 2.484 10.434 ( -1.266 1.572 0.200) 2.028 10.828 ( -0.519 4.773 -0.023) 4.801 10.844 ( -0.646 3.537 0.009) 3.596 10.896 ( -1.196 5.815 0.044) 5.937 10.912 ( -1.496 4.604 0.017) 4.841 11.202 ( 0.581 2.381 0.013) 2.451 11.212 ( 0.150 1.610 0.054) 1.618 11.718 ( -0.169 1.651 -0.086) 1.662 11.777 ( 0.162 -4.197 -0.047) 4.200 11.973 ( 0.243 3.782 0.077) 3.790 12.028 ( -0.195 -2.144 -0.030) 2.153 12.668 ( 0.159 -1.411 0.006) 1.420 12.682 ( 0.008 -2.724 -0.006) 2.724 13.013 ( 0.636 5.243 0.056) 5.282 13.019 ( 0.553 4.639 -0.060) 4.672 13.579 ( -0.206 7.441 0.033) 7.444 13.590 ( -0.218 6.331 -0.018) 6.335 14.372 ( 1.499 0.650 0.018) 1.634 14.375 ( 1.482 0.359 -0.027) 1.525 16.463 ( -0.549 4.463 -0.021) 4.497 16.479 ( 0.013 2.816 0.018) 2.816 17.431 ( 0.005 6.641 0.320) 6.648 17.445 ( 0.422 5.109 -0.319) 5.136 18.619 ( -0.268 -0.507 -0.102) 0.583 18.620 ( -0.252 -0.634 0.106) 0.691 21.039 ( 5.525 1.073 -0.047) 5.628 21.045 ( 5.679 0.488 0.051) 5.700 21.429 ( -5.502 1.321 0.005) 5.658 21.446 ( -5.634 -0.371 -0.007) 5.646 ======================= Grid point 32 (21/49) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 4.736 0.000) 4.736 1.795 ( 0.000 -8.815 0.000) 8.815 2.409 ( -0.000 1.503 -0.000) 1.503 2.413 ( 0.000 1.145 -0.000) 1.145 2.502 ( 0.000 3.367 0.000) 3.367 2.541 ( 0.000 -0.020 -0.000) 0.020 2.588 ( 0.000 1.529 0.000) 1.529 2.651 ( 0.000 -4.594 -0.000) 4.594 2.748 ( 0.000 2.466 0.000) 2.466 2.765 ( 0.000 1.978 -0.000) 1.978 2.838 ( 0.000 -0.449 -0.000) 0.449 2.847 ( 0.000 4.066 0.000) 4.066 2.860 ( 0.000 3.212 -0.000) 3.212 2.864 ( 0.000 -0.928 0.000) 0.928 2.997 ( 0.000 0.647 0.000) 0.647 3.012 ( 0.000 0.321 -0.000) 0.321 3.178 ( 0.000 6.082 -0.000) 6.082 3.254 ( 0.000 -1.810 -0.000) 1.810 3.274 ( 0.000 3.668 0.000) 3.668 3.310 ( 0.000 3.472 -0.000) 3.472 3.391 ( 0.000 -6.911 -0.000) 6.911 3.421 ( 0.000 -6.196 -0.000) 6.196 3.778 ( 0.000 0.583 0.000) 0.583 3.781 ( 0.000 1.210 -0.000) 1.210 3.855 ( 0.000 3.575 -0.000) 3.575 3.867 ( -0.000 2.623 -0.000) 2.623 3.950 ( 0.000 2.825 0.000) 2.825 3.962 ( -0.000 1.173 -0.000) 1.173 4.297 ( 0.000 4.617 0.000) 4.617 4.319 ( 0.000 2.582 -0.000) 2.582 4.685 ( 0.000 3.582 0.000) 3.582 4.723 ( 0.000 0.161 0.000) 0.161 4.792 ( 0.000 7.468 -0.000) 7.468 4.876 ( -0.000 1.768 -0.000) 1.768 4.939 ( -0.000 4.046 -0.000) 4.046 4.940 ( 0.000 1.344 0.000) 1.344 5.121 ( 0.000 3.598 0.000) 3.598 5.236 ( 0.000 -7.949 -0.000) 7.949 5.408 ( 0.000 2.013 -0.000) 2.013 5.420 ( 0.000 1.024 -0.000) 1.024 5.454 ( 0.000 4.729 -0.000) 4.729 5.504 ( -0.000 0.027 -0.000) 0.027 5.559 ( -0.000 4.857 0.000) 4.857 5.609 ( 0.000 -1.062 -0.000) 1.062 5.685 ( 0.000 0.225 -0.000) 0.225 5.715 ( 0.000 -1.836 -0.000) 1.836 5.949 ( -0.000 4.592 0.000) 4.592 5.979 ( 0.000 1.947 -0.000) 1.947 6.043 ( -0.000 3.936 0.000) 3.936 6.084 ( 0.000 -0.635 -0.000) 0.635 6.254 ( 0.000 4.575 -0.000) 4.575 6.280 ( 0.000 2.125 0.000) 2.125 6.328 ( 0.000 5.827 0.000) 5.827 6.462 ( -0.000 -6.615 0.000) 6.615 6.476 ( 0.000 4.016 -0.000) 4.016 6.578 ( 0.000 -6.187 0.000) 6.187 6.661 ( 0.000 3.282 0.000) 3.282 6.701 ( -0.000 -0.866 -0.000) 0.866 6.722 ( 0.000 2.268 0.000) 2.268 6.744 ( 0.000 0.525 -0.000) 0.525 6.925 ( 0.000 2.099 -0.000) 2.099 6.970 ( 0.000 -2.468 0.000) 2.468 6.995 ( 0.000 8.971 -0.000) 8.971 7.075 ( 0.000 0.906 0.000) 0.906 7.095 ( -0.000 3.253 0.000) 3.253 7.130 ( 0.000 3.494 -0.000) 3.494 7.160 ( 0.000 1.752 0.000) 1.752 7.197 ( 0.000 -3.247 -0.000) 3.247 7.255 ( 0.000 -1.755 0.000) 1.755 7.266 ( -0.000 2.457 -0.000) 2.457 7.271 ( 0.000 -2.082 -0.000) 2.082 7.304 ( 0.000 -1.481 0.000) 1.481 7.409 ( 0.000 0.408 -0.000) 0.408 7.462 ( 0.000 -3.526 0.000) 3.526 7.547 ( 0.000 6.150 0.000) 6.150 7.617 ( -0.000 5.654 -0.000) 5.654 7.686 ( 0.000 -2.705 -0.000) 2.705 7.730 ( 0.000 -3.826 -0.000) 3.826 7.778 ( 0.000 1.170 -0.000) 1.170 7.790 ( 0.000 -1.146 0.000) 1.146 7.878 ( 0.000 2.807 0.000) 2.807 7.992 ( 0.000 1.976 0.000) 1.976 7.995 ( -0.000 -8.116 -0.000) 8.116 8.051 ( 0.000 -2.444 -0.000) 2.444 8.161 ( 0.000 -2.003 0.000) 2.003 8.167 ( -0.000 -1.759 -0.000) 1.759 8.236 ( 0.000 0.271 0.000) 0.271 8.273 ( -0.000 -2.615 -0.000) 2.615 8.572 ( 0.000 3.529 -0.000) 3.529 8.594 ( 0.000 1.641 -0.000) 1.641 9.393 ( 0.000 0.424 -0.000) 0.424 9.425 ( 0.000 -2.463 -0.000) 2.463 9.799 ( 0.000 3.325 -0.000) 3.325 9.822 ( 0.000 1.483 -0.000) 1.483 9.991 ( 0.000 -0.566 0.000) 0.566 10.013 ( 0.000 -2.065 -0.000) 2.065 10.412 ( 0.000 3.041 0.000) 3.041 10.417 ( 0.000 2.557 -0.000) 2.557 10.823 ( 0.000 1.561 -0.000) 1.561 10.832 ( 0.000 -0.116 -0.000) 0.116 10.886 ( 0.000 8.093 -0.000) 8.093 10.889 ( 0.000 7.481 -0.000) 7.481 11.211 ( 0.000 1.885 -0.000) 1.885 11.212 ( 0.000 1.719 0.000) 1.719 11.716 ( 0.000 1.843 0.000) 1.843 11.779 ( 0.000 -4.447 -0.000) 4.447 11.977 ( 0.000 3.584 -0.000) 3.584 12.026 ( 0.000 -1.627 -0.000) 1.627 12.670 ( 0.000 -1.531 -0.000) 1.531 12.682 ( 0.000 -2.605 -0.000) 2.605 13.021 ( 0.000 5.332 -0.000) 5.332 13.026 ( 0.000 4.860 0.000) 4.860 13.577 ( 0.000 7.315 -0.000) 7.315 13.587 ( 0.000 6.237 -0.000) 6.237 14.392 ( 0.000 0.612 -0.000) 0.612 14.395 ( 0.000 0.342 0.000) 0.342 16.457 ( 0.000 4.843 -0.000) 4.843 16.479 ( 0.000 2.544 0.000) 2.544 17.432 ( 0.000 6.924 0.000) 6.924 17.450 ( 0.000 5.045 -0.000) 5.045 18.615 ( 0.000 -0.499 0.000) 0.499 18.617 ( 0.000 -0.682 -0.000) 0.682 21.138 ( 0.000 0.454 -0.000) 0.454 21.146 ( 0.000 -0.412 0.000) 0.412 21.332 ( 0.000 1.797 -0.000) 1.797 21.345 ( 0.000 0.455 0.000) 0.455 ======================= Grid point 65 (22/49) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -4.902 0.000 28.462) 28.881 0.650 ( 3.226 0.000 30.573) 30.743 1.034 ( 1.101 0.000 36.333) 36.349 1.184 ( 6.591 0.000 -11.500) 13.255 1.237 ( -2.412 0.000 -24.683) 24.801 1.642 ( -1.570 0.000 -2.142) 2.656 1.841 ( -0.421 0.000 0.645) 0.771 1.866 ( -0.927 0.000 -1.237) 1.546 1.949 ( -3.862 0.000 -21.806) 22.145 2.018 ( 1.598 0.000 8.351) 8.502 2.156 ( 6.751 0.000 -16.196) 17.547 2.214 ( -6.367 0.000 -5.142) 8.184 2.259 ( 3.192 0.000 7.790) 8.418 2.353 ( 1.900 0.000 0.206) 1.911 2.432 ( -3.769 0.000 2.124) 4.326 2.510 ( -1.099 0.000 3.669) 3.830 2.525 ( -3.607 0.000 3.015) 4.701 2.573 ( 0.408 0.000 -2.439) 2.473 2.658 ( 5.927 0.000 -0.505) 5.948 2.729 ( 5.536 0.000 2.006) 5.888 2.795 ( -7.419 0.000 -4.239) 8.545 2.851 ( -3.710 0.000 -2.876) 4.694 2.908 ( 1.149 0.000 -0.335) 1.197 2.934 ( 4.416 0.000 -3.517) 5.646 3.062 ( 0.206 0.000 -0.230) 0.309 3.122 ( 1.317 0.000 1.653) 2.113 3.142 ( -4.860 0.000 3.097) 5.763 3.185 ( 3.828 0.000 -2.139) 4.385 3.215 ( -0.914 0.000 -0.711) 1.158 3.489 ( -0.246 0.000 1.303) 1.326 3.505 ( -1.399 0.000 4.055) 4.289 3.570 ( 0.345 0.000 -0.013) 0.346 3.619 ( -0.256 0.000 -0.053) 0.262 3.667 ( -2.367 0.000 7.495) 7.860 3.718 ( 4.716 0.000 -2.812) 5.491 3.951 ( 11.948 0.000 -1.690) 12.067 3.961 ( -7.521 0.000 2.681) 7.985 4.176 ( 0.536 0.000 -0.710) 0.890 4.533 ( 10.150 0.000 5.548) 11.568 4.606 ( -7.221 0.000 3.465) 8.009 4.809 ( 0.702 0.000 -1.232) 1.418 4.851 ( -2.090 0.000 -4.072) 4.577 5.001 ( 3.001 0.000 -0.496) 3.042 5.055 ( -1.915 0.000 -5.492) 5.816 5.314 ( 8.572 0.000 1.598) 8.720 5.323 ( 0.549 0.000 0.773) 0.948 5.360 ( -8.062 0.000 -1.737) 8.247 5.460 ( -6.227 0.000 1.080) 6.320 5.495 ( 0.149 0.000 -1.011) 1.022 5.604 ( 0.849 0.000 -0.627) 1.055 5.618 ( -0.203 0.000 1.177) 1.194 5.700 ( 0.029 0.000 -0.512) 0.513 5.838 ( -0.015 0.000 1.355) 1.355 6.043 ( 1.225 0.000 6.609) 6.721 6.133 ( -0.113 0.000 0.230) 0.256 6.154 ( 0.173 0.000 -1.654) 1.663 6.205 ( 1.352 0.000 -1.381) 1.933 6.269 ( 0.399 0.000 -0.415) 0.576 6.308 ( 0.018 0.000 -0.125) 0.127 6.320 ( -5.602 0.000 -4.484) 7.176 6.336 ( -2.896 0.000 -1.401) 3.217 6.417 ( 0.018 0.000 0.315) 0.315 6.438 ( -0.039 0.000 0.238) 0.242 6.510 ( 5.138 0.000 0.777) 5.196 6.559 ( 0.002 0.000 0.125) 0.125 6.629 ( -2.750 0.000 4.860) 5.584 6.672 ( -0.026 0.000 0.227) 0.229 6.711 ( 0.937 0.000 0.467) 1.047 6.736 ( -0.028 0.000 -0.386) 0.387 6.751 ( -0.742 0.000 -1.786) 1.934 6.875 ( -1.170 0.000 -3.256) 3.460 6.897 ( 0.032 0.000 0.084) 0.090 6.953 ( 0.004 0.000 -0.024) 0.024 7.036 ( 1.207 0.000 -0.759) 1.426 7.189 ( -0.075 0.000 0.983) 0.986 7.391 ( -0.120 0.000 8.617) 8.618 7.543 ( -1.534 0.000 -5.384) 5.599 7.630 ( -0.801 0.000 -1.020) 1.297 7.705 ( 1.908 0.000 -2.373) 3.045 7.895 ( 0.997 0.000 1.407) 1.724 7.980 ( 0.005 0.000 -0.907) 0.907 8.024 ( -0.215 0.000 1.600) 1.614 8.110 ( 0.198 0.000 -0.474) 0.513 8.386 ( 0.061 0.000 0.111) 0.127 8.397 ( -0.066 0.000 -0.112) 0.130 8.449 ( -0.393 0.000 -0.217) 0.449 8.613 ( 6.512 0.000 2.765) 7.074 8.679 ( 0.986 0.000 -2.372) 2.569 8.990 ( 0.045 0.000 0.096) 0.106 9.010 ( 3.919 0.000 -1.648) 4.252 9.016 ( -0.036 0.000 -0.099) 0.105 9.119 ( 3.540 0.000 0.970) 3.671 9.170 ( -0.023 0.000 0.071) 0.074 9.176 ( 0.018 0.000 -0.066) 0.068 9.197 ( 0.160 0.000 -0.986) 0.999 9.272 ( -1.767 0.000 0.810) 1.944 9.451 ( 1.274 0.000 -0.729) 1.468 9.504 ( -0.703 0.000 0.707) 0.997 10.216 ( -0.272 0.000 -0.138) 0.305 10.263 ( 1.051 0.000 -0.241) 1.078 10.681 ( -0.995 0.000 0.677) 1.204 10.722 ( 0.240 0.000 -0.710) 0.749 11.299 ( -0.735 0.000 -0.801) 1.087 11.384 ( -0.051 0.000 -0.767) 0.768 11.515 ( -0.047 0.000 -1.117) 1.118 11.683 ( 2.147 0.000 2.730) 3.473 11.869 ( -2.012 0.000 -1.018) 2.255 11.926 ( 0.169 0.000 0.428) 0.460 12.199 ( -0.071 0.000 -0.013) 0.072 12.199 ( 0.072 0.000 0.013) 0.073 12.536 ( -0.282 0.000 2.365) 2.382 12.661 ( -0.479 0.000 -1.236) 1.326 12.893 ( 0.004 0.000 0.021) 0.022 12.898 ( -0.004 0.000 -0.021) 0.021 13.338 ( -0.005 0.000 0.005) 0.007 13.349 ( 0.005 0.000 -0.005) 0.007 13.443 ( 0.603 0.000 0.228) 0.645 13.479 ( -19.165 0.000 -0.374) 19.169 14.430 ( 1.566 0.000 -1.401) 2.101 14.591 ( 10.984 0.000 1.212) 11.051 19.524 ( 18.742 0.000 -0.675) 18.754 19.622 ( 4.708 0.000 1.111) 4.837 20.870 ( -0.472 0.000 -0.096) 0.482 20.921 ( -15.913 0.000 0.051) 15.913 21.916 ( 1.221 0.000 1.236) 1.737 22.055 ( 2.642 0.000 -1.498) 3.037 ======================= Grid point 66 (23/49) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 17.394 0.000 15.414) 23.241 1.028 ( 20.375 0.000 20.208) 28.697 1.202 ( 7.018 0.000 -23.453) 24.481 1.269 ( 11.490 0.000 -20.719) 23.692 1.463 ( -12.703 0.000 2.498) 12.946 1.643 ( 28.939 0.000 31.317) 42.641 1.739 ( -10.990 0.000 2.126) 11.194 1.836 ( -2.159 0.000 -0.524) 2.221 1.879 ( -5.092 0.000 -8.838) 10.200 2.099 ( -2.064 0.000 2.626) 3.340 2.123 ( 4.903 0.000 1.290) 5.070 2.201 ( -7.538 0.000 -1.919) 7.779 2.244 ( 9.089 0.000 -18.049) 20.208 2.253 ( -5.281 0.000 0.247) 5.286 2.389 ( -1.520 0.000 0.034) 1.520 2.462 ( 4.132 0.000 10.739) 11.506 2.537 ( -8.451 0.000 -9.147) 12.453 2.559 ( 3.928 0.000 -2.852) 4.854 2.693 ( -2.818 0.000 1.036) 3.002 2.723 ( -7.413 0.000 -2.633) 7.866 2.725 ( 4.926 0.000 1.958) 5.301 2.849 ( 2.721 0.000 1.323) 3.026 2.944 ( 1.868 0.000 -1.288) 2.269 2.959 ( -4.172 0.000 -2.303) 4.765 3.045 ( -0.666 0.000 -0.189) 0.692 3.047 ( -7.771 0.000 4.407) 8.934 3.139 ( -0.240 0.000 -1.858) 1.874 3.214 ( 0.647 0.000 1.484) 1.619 3.260 ( -4.047 0.000 2.282) 4.646 3.335 ( -0.522 0.000 2.046) 2.111 3.529 ( -6.143 0.000 -5.036) 7.943 3.581 ( 0.618 0.000 -0.653) 0.899 3.610 ( -8.584 0.000 1.119) 8.657 3.618 ( 0.094 0.000 0.484) 0.493 3.734 ( 4.448 0.000 -1.436) 4.674 3.838 ( 3.611 0.000 0.870) 3.714 4.064 ( 0.987 0.000 3.628) 3.760 4.218 ( 1.274 0.000 -0.536) 1.382 4.511 ( 0.173 0.000 -0.187) 0.254 4.715 ( -2.646 0.000 3.256) 4.196 4.780 ( -2.598 0.000 -1.806) 3.164 4.796 ( 2.588 0.000 0.934) 2.752 4.952 ( -2.524 0.000 -1.371) 2.873 5.072 ( -8.759 0.000 -2.922) 9.234 5.127 ( -0.009 0.000 -4.177) 4.177 5.318 ( 1.246 0.000 4.258) 4.436 5.399 ( -0.003 0.000 -2.549) 2.549 5.466 ( 3.507 0.000 5.956) 6.912 5.495 ( 0.094 0.000 -1.002) 1.006 5.617 ( -0.228 0.000 1.230) 1.251 5.704 ( 0.382 0.000 -0.425) 0.571 5.821 ( 12.198 0.000 -1.393) 12.277 5.840 ( -0.118 0.000 0.993) 1.000 5.994 ( -5.021 0.000 1.920) 5.375 6.134 ( 0.113 0.000 0.239) 0.265 6.152 ( -5.730 0.000 -4.724) 7.426 6.154 ( 0.257 0.000 -1.414) 1.438 6.256 ( 1.883 0.000 1.205) 2.235 6.288 ( -0.470 0.000 4.188) 4.214 6.299 ( -0.583 0.000 -0.059) 0.586 6.331 ( 0.609 0.000 2.241) 2.322 6.424 ( 0.370 0.000 0.400) 0.545 6.437 ( -0.086 0.000 0.061) 0.105 6.450 ( -1.984 0.000 -5.973) 6.294 6.554 ( -0.372 0.000 0.072) 0.379 6.675 ( 0.210 0.000 0.035) 0.213 6.738 ( 2.889 0.000 1.417) 3.217 6.756 ( 1.843 0.000 -0.079) 1.845 6.805 ( 5.330 0.000 -1.247) 5.474 6.819 ( 0.347 0.000 1.655) 1.691 6.855 ( 6.432 0.000 -1.255) 6.554 6.871 ( -2.067 0.000 0.007) 2.067 6.961 ( 0.506 0.000 -0.032) 0.507 7.022 ( -2.402 0.000 -3.749) 4.452 7.232 ( 3.012 0.000 1.865) 3.543 7.398 ( -2.297 0.000 8.873) 9.165 7.532 ( 0.184 0.000 -3.758) 3.762 7.667 ( 4.470 0.000 -0.381) 4.486 7.769 ( 3.886 0.000 -1.344) 4.112 7.839 ( -6.137 0.000 -5.105) 7.983 7.941 ( -3.423 0.000 0.733) 3.500 8.038 ( 2.260 0.000 3.560) 4.217 8.105 ( -0.273 0.000 -0.526) 0.593 8.191 ( -14.348 0.000 4.304) 14.980 8.379 ( -0.617 0.000 -0.074) 0.621 8.387 ( -0.688 0.000 0.083) 0.693 8.432 ( -5.803 0.000 0.898) 5.872 8.533 ( -8.765 0.000 -6.176) 10.722 9.000 ( 0.699 0.000 -0.043) 0.700 9.025 ( 0.814 0.000 0.025) 0.815 9.059 ( 1.779 0.000 -1.053) 2.067 9.136 ( -0.378 0.000 0.593) 0.703 9.166 ( -0.333 0.000 0.064) 0.339 9.171 ( -0.393 0.000 -0.052) 0.396 9.292 ( 3.072 0.000 1.689) 3.506 9.387 ( 1.983 0.000 -1.320) 2.382 9.442 ( -1.451 0.000 -1.626) 2.179 9.574 ( 3.122 0.000 -4.484) 5.464 10.391 ( 12.631 0.000 2.262) 12.832 10.560 ( 10.403 0.000 -6.301) 12.162 10.705 ( 2.744 0.000 -1.644) 3.199 10.800 ( 12.053 0.000 -4.678) 12.929 11.277 ( -2.276 0.000 0.400) 2.311 11.382 ( -0.030 0.000 -1.503) 1.503 11.414 ( -6.154 0.000 -0.612) 6.184 11.609 ( -6.754 0.000 -3.594) 7.651 11.914 ( 3.394 0.000 3.212) 4.673 11.959 ( 2.362 0.000 0.995) 2.563 12.197 ( 0.030 0.000 0.009) 0.031 12.205 ( 0.288 0.000 -0.010) 0.288 12.541 ( 0.590 0.000 4.723) 4.760 12.708 ( 4.072 0.000 -1.544) 4.355 12.888 ( -0.426 0.000 0.006) 0.426 12.893 ( -0.376 0.000 -0.006) 0.376 13.024 ( -13.319 0.000 15.677) 20.571 13.342 ( 0.287 0.000 0.014) 0.288 13.353 ( 0.260 0.000 -0.014) 0.260 13.449 ( -9.329 0.000 3.952) 10.132 14.405 ( 1.198 0.000 -3.325) 3.534 14.758 ( 3.871 0.000 -3.704) 5.358 19.205 ( -15.484 0.000 -10.869) 18.918 19.659 ( -8.762 0.000 8.947) 12.523 21.056 ( 16.398 0.000 -10.912) 19.697 21.184 ( 16.588 0.000 11.699) 20.298 21.843 ( -6.022 0.000 -1.478) 6.200 22.005 ( -5.241 0.000 -5.619) 7.684 ======================= Grid point 67 (24/49) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -15.482 0.000 0.890) 15.508 1.262 ( 10.619 0.000 -6.829) 12.626 1.303 ( -17.470 0.000 6.925) 18.792 1.384 ( 10.795 0.000 0.801) 10.825 1.495 ( 12.487 0.000 -7.532) 14.582 1.575 ( 10.505 0.000 6.010) 12.103 1.615 ( -8.286 0.000 -12.709) 15.172 1.764 ( -2.092 0.000 -6.771) 7.086 2.022 ( -5.219 0.000 5.648) 7.690 2.145 ( -3.525 0.000 1.591) 3.867 2.147 ( 1.774 0.000 -0.795) 1.944 2.179 ( -21.133 0.000 7.572) 22.448 2.261 ( 13.179 0.000 9.860) 16.460 2.322 ( -6.875 0.000 -0.757) 6.916 2.386 ( 5.133 0.000 4.964) 7.140 2.430 ( -3.636 0.000 6.202) 7.189 2.470 ( 0.539 0.000 -0.895) 1.044 2.602 ( 4.865 0.000 2.298) 5.380 2.672 ( 2.439 0.000 -2.576) 3.547 2.726 ( 10.717 0.000 -1.684) 10.848 2.804 ( 0.897 0.000 2.572) 2.724 2.845 ( 14.423 0.000 -7.591) 16.299 2.855 ( -1.720 0.000 -0.994) 1.986 2.953 ( 0.613 0.000 -0.973) 1.150 2.988 ( -2.943 0.000 -3.744) 4.762 3.051 ( 0.070 0.000 -0.026) 0.075 3.118 ( -0.869 0.000 -1.950) 2.135 3.141 ( -11.656 0.000 -8.103) 14.196 3.232 ( 0.479 0.000 1.176) 1.270 3.271 ( -0.769 0.000 0.104) 0.776 3.373 ( -0.440 0.000 -0.023) 0.440 3.519 ( -2.196 0.000 -3.622) 4.236 3.585 ( -0.207 0.000 -0.531) 0.570 3.622 ( 0.170 0.000 0.394) 0.429 3.818 ( 0.649 0.000 3.882) 3.936 3.964 ( 0.317 0.000 4.214) 4.226 4.072 ( -2.562 0.000 3.594) 4.413 4.226 ( 1.439 0.000 0.156) 1.447 4.517 ( 1.484 0.000 3.160) 3.492 4.665 ( -2.846 0.000 -3.685) 4.656 4.687 ( -2.823 0.000 2.841) 4.005 4.864 ( 0.970 0.000 -4.852) 4.948 4.933 ( 4.671 0.000 2.502) 5.299 4.969 ( -1.483 0.000 -1.211) 1.915 5.113 ( 0.114 0.000 -2.660) 2.662 5.355 ( 0.425 0.000 3.018) 3.048 5.410 ( -0.818 0.000 -0.839) 1.172 5.494 ( 0.117 0.000 -0.964) 0.971 5.513 ( 2.022 0.000 2.189) 2.980 5.616 ( -0.122 0.000 1.204) 1.210 5.709 ( 0.099 0.000 -0.406) 0.418 5.838 ( -0.284 0.000 0.882) 0.926 5.911 ( -1.979 0.000 -1.466) 2.463 5.944 ( -0.779 0.000 -0.646) 1.011 6.133 ( 2.309 0.000 -0.923) 2.487 6.137 ( 0.074 0.000 0.286) 0.295 6.155 ( 0.204 0.000 -1.405) 1.420 6.218 ( -2.410 0.000 -1.104) 2.651 6.292 ( -0.005 0.000 0.004) 0.006 6.293 ( -1.251 0.000 5.243) 5.390 6.361 ( 2.621 0.000 1.446) 2.993 6.427 ( -0.188 0.000 0.655) 0.682 6.429 ( 0.788 0.000 -6.319) 6.368 6.437 ( 0.078 0.000 -0.191) 0.206 6.549 ( -0.024 0.000 0.043) 0.049 6.679 ( 0.063 0.000 -0.061) 0.088 6.780 ( 2.082 0.000 -3.479) 4.054 6.790 ( -0.003 0.000 -0.003) 0.004 6.821 ( 1.063 0.000 1.284) 1.667 6.835 ( -0.010 0.000 0.023) 0.025 6.885 ( -0.862 0.000 -0.641) 1.074 6.941 ( -0.164 0.000 -1.569) 1.577 6.967 ( -0.007 0.000 -0.044) 0.045 6.972 ( 0.795 0.000 -2.474) 2.599 7.305 ( 3.098 0.000 3.902) 4.982 7.364 ( -2.374 0.000 7.708) 8.066 7.475 ( -4.788 0.000 1.133) 4.920 7.715 ( 0.549 0.000 -5.685) 5.712 7.744 ( -0.896 0.000 -0.978) 1.327 7.829 ( 0.754 0.000 -3.432) 3.514 7.903 ( 0.197 0.000 1.755) 1.766 8.022 ( -4.326 0.000 5.797) 7.233 8.099 ( 0.476 0.000 -0.804) 0.934 8.131 ( 0.716 0.000 4.441) 4.498 8.303 ( 0.262 0.000 -6.364) 6.369 8.369 ( -0.080 0.000 -0.108) 0.134 8.379 ( 0.083 0.000 0.120) 0.146 8.456 ( 0.051 0.000 -1.375) 1.376 9.008 ( -0.069 0.000 -0.103) 0.124 9.038 ( 0.065 0.000 0.086) 0.108 9.078 ( 0.245 0.000 -0.730) 0.770 9.129 ( -0.153 0.000 0.617) 0.636 9.162 ( 0.082 0.000 0.025) 0.086 9.164 ( -0.081 0.000 -0.018) 0.083 9.358 ( 3.135 0.000 -0.195) 3.141 9.385 ( -0.961 0.000 -1.078) 1.444 9.403 ( -2.228 0.000 1.503) 2.688 9.584 ( -0.195 0.000 -2.664) 2.672 10.550 ( 0.740 0.000 3.264) 3.347 10.620 ( -0.579 0.000 -2.690) 2.751 10.744 ( -1.458 0.000 1.071) 1.809 11.018 ( 3.164 0.000 -5.666) 6.489 11.235 ( 2.431 0.000 0.795) 2.558 11.351 ( -0.725 0.000 -0.176) 0.746 11.378 ( 1.428 0.000 -3.359) 3.650 11.471 ( -2.475 0.000 -8.610) 8.959 11.953 ( -0.319 0.000 3.262) 3.278 12.010 ( 0.727 0.000 1.629) 1.784 12.198 ( 0.003 0.000 0.002) 0.004 12.208 ( -0.003 0.000 -0.002) 0.004 12.584 ( -0.121 0.000 7.771) 7.772 12.761 ( 2.213 0.000 -2.246) 3.154 12.882 ( -0.007 0.000 0.001) 0.007 12.888 ( 0.007 0.000 -0.001) 0.007 12.946 ( -0.263 0.000 10.526) 10.529 13.258 ( -2.685 0.000 0.406) 2.715 13.346 ( 0.003 0.000 0.017) 0.017 13.356 ( -0.003 0.000 -0.017) 0.017 14.431 ( 0.522 0.000 -2.579) 2.632 14.775 ( -1.903 0.000 0.231) 1.917 18.962 ( -6.209 0.000 -4.482) 7.658 19.603 ( 1.181 0.000 5.431) 5.558 21.165 ( -4.671 0.000 -1.238) 4.832 21.538 ( 11.796 0.000 14.416) 18.627 21.772 ( 2.695 0.000 -6.668) 7.192 21.852 ( -6.424 0.000 -11.542) 13.209 ======================= Grid point 68 (25/49) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -13.806 0.000 21.086) 25.204 0.838 ( -23.241 0.000 17.143) 28.879 1.184 ( -3.409 0.000 -19.492) 19.788 1.413 ( -33.757 0.000 26.288) 42.785 1.447 ( -9.487 0.000 -16.727) 19.230 1.602 ( 6.506 0.000 -9.524) 11.534 1.782 ( 6.417 0.000 1.338) 6.555 1.851 ( 12.151 0.000 8.597) 14.885 1.854 ( 4.529 0.000 -5.010) 6.753 2.000 ( -1.832 0.000 10.583) 10.740 2.174 ( 6.851 0.000 0.637) 6.881 2.193 ( 1.890 0.000 5.444) 5.763 2.253 ( -8.234 0.000 -14.216) 16.428 2.343 ( -1.948 0.000 -7.364) 7.618 2.357 ( 8.072 0.000 7.302) 10.885 2.486 ( 2.849 0.000 -3.046) 4.171 2.516 ( -4.436 0.000 -6.668) 8.009 2.584 ( 2.621 0.000 5.694) 6.268 2.622 ( -2.390 0.000 -4.890) 5.443 2.769 ( -5.523 0.000 -2.198) 5.944 2.836 ( 1.910 0.000 3.199) 3.726 2.849 ( 1.768 0.000 -9.142) 9.312 2.951 ( -2.352 0.000 -1.583) 2.835 2.960 ( -2.425 0.000 -6.143) 6.604 3.046 ( 0.337 0.000 -0.346) 0.483 3.101 ( 0.040 0.000 0.711) 0.712 3.120 ( 2.819 0.000 -0.406) 2.848 3.236 ( -0.437 0.000 -0.122) 0.454 3.271 ( -0.427 0.000 4.348) 4.369 3.301 ( 17.926 0.000 11.821) 21.472 3.484 ( 11.226 0.000 -8.157) 13.876 3.494 ( 3.862 0.000 2.298) 4.494 3.573 ( -0.588 0.000 -0.074) 0.593 3.624 ( -0.118 0.000 0.011) 0.118 3.766 ( -8.817 0.000 5.907) 10.613 3.810 ( -4.235 0.000 -0.473) 4.262 4.034 ( -2.804 0.000 6.645) 7.212 4.246 ( -1.940 0.000 -2.777) 3.387 4.484 ( -6.883 0.000 -0.564) 6.906 4.630 ( 4.303 0.000 7.318) 8.489 4.745 ( 3.964 0.000 1.411) 4.208 4.897 ( 0.446 0.000 -4.012) 4.036 4.978 ( 0.233 0.000 -2.992) 3.001 5.022 ( 5.368 0.000 0.722) 5.416 5.134 ( 3.365 0.000 -3.286) 4.703 5.350 ( -2.546 0.000 1.093) 2.770 5.359 ( 0.982 0.000 1.329) 1.653 5.495 ( 0.171 0.000 -0.973) 0.988 5.609 ( 1.305 0.000 -5.748) 5.894 5.618 ( -0.086 0.000 1.154) 1.157 5.705 ( -0.263 0.000 -0.499) 0.564 5.802 ( -11.883 0.000 -0.407) 11.890 5.836 ( -0.185 0.000 1.242) 1.256 5.921 ( 4.103 0.000 4.014) 5.740 6.136 ( -0.212 0.000 0.268) 0.342 6.143 ( 4.032 0.000 0.306) 4.044 6.155 ( 0.185 0.000 -1.628) 1.638 6.220 ( -0.586 0.000 2.530) 2.597 6.299 ( 0.602 0.000 -0.056) 0.604 6.321 ( 3.406 0.000 3.596) 4.953 6.415 ( -0.112 0.000 -2.969) 2.971 6.422 ( 0.656 0.000 -4.963) 5.007 6.422 ( -0.444 0.000 0.486) 0.658 6.437 ( 0.020 0.000 0.058) 0.061 6.553 ( 0.348 0.000 0.101) 0.363 6.676 ( -0.271 0.000 -0.010) 0.271 6.757 ( -1.738 0.000 -0.144) 1.744 6.780 ( -5.182 0.000 0.616) 5.218 6.803 ( -1.713 0.000 -5.782) 6.031 6.820 ( -3.835 0.000 -2.559) 4.610 6.870 ( 2.032 0.000 0.054) 2.033 6.906 ( -2.871 0.000 -0.892) 3.006 6.961 ( -0.489 0.000 -0.018) 0.490 6.988 ( 3.261 0.000 -2.218) 3.944 7.259 ( -5.163 0.000 -3.634) 6.314 7.397 ( -2.744 0.000 9.062) 9.468 7.511 ( 10.531 0.000 6.785) 12.527 7.662 ( -5.284 0.000 -0.332) 5.295 7.729 ( -0.702 0.000 -1.109) 1.312 7.810 ( 2.088 0.000 -2.495) 3.254 7.935 ( 2.402 0.000 2.433) 3.419 8.010 ( 0.926 0.000 6.192) 6.261 8.092 ( -0.573 0.000 3.424) 3.472 8.122 ( 2.717 0.000 3.707) 4.596 8.377 ( 0.638 0.000 0.067) 0.642 8.389 ( 0.665 0.000 -0.065) 0.669 8.439 ( 5.500 0.000 1.085) 5.606 8.513 ( 9.259 0.000 -5.087) 10.564 8.998 ( -0.677 0.000 0.065) 0.680 9.027 ( -0.836 0.000 -0.071) 0.839 9.062 ( -1.564 0.000 -1.453) 2.135 9.136 ( 0.171 0.000 0.799) 0.817 9.167 ( 0.234 0.000 0.018) 0.235 9.170 ( 0.492 0.000 -0.012) 0.492 9.319 ( -6.183 0.000 1.982) 6.493 9.365 ( -1.611 0.000 -2.420) 2.908 9.420 ( 2.387 0.000 -0.940) 2.565 9.559 ( -1.950 0.000 -2.272) 2.995 10.418 ( -13.959 0.000 2.408) 14.165 10.514 ( -8.998 0.000 -5.262) 10.424 10.704 ( -0.426 0.000 -1.039) 1.123 10.840 ( -12.704 0.000 -8.280) 15.164 11.312 ( 0.510 0.000 -1.165) 1.272 11.392 ( 1.812 0.000 -4.060) 4.446 11.412 ( 5.773 0.000 -0.711) 5.816 11.547 ( 8.350 0.000 0.982) 8.408 11.935 ( -1.902 0.000 1.842) 2.648 11.971 ( -4.093 0.000 -0.221) 4.099 12.198 ( -0.019 0.000 -0.002) 0.019 12.205 ( -0.299 0.000 0.002) 0.299 12.553 ( -2.481 0.000 3.121) 3.987 12.721 ( -4.100 0.000 -1.968) 4.548 12.888 ( 0.424 0.000 0.016) 0.424 12.893 ( 0.379 0.000 -0.016) 0.379 13.180 ( 17.931 0.000 3.786) 18.327 13.342 ( -0.290 0.000 0.007) 0.291 13.352 ( -0.257 0.000 -0.007) 0.257 13.420 ( 15.971 0.000 10.187) 18.943 14.383 ( -4.121 0.000 -3.305) 5.282 14.666 ( -8.806 0.000 3.183) 9.364 18.934 ( 6.350 0.000 11.862) 13.454 19.683 ( 2.564 0.000 4.597) 5.263 20.952 ( -11.352 0.000 0.442) 11.361 21.542 ( -17.277 0.000 -22.214) 28.142 21.786 ( 6.815 0.000 10.304) 12.354 21.928 ( 8.996 0.000 -4.205) 9.930 ======================= Grid point 69 (26/49) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.216 18.733 19.911) 27.339 0.883 ( -5.567 23.663 17.571) 29.995 1.293 ( 1.490 12.667 -21.008) 24.576 1.326 ( 1.196 9.828 -23.857) 25.830 1.567 ( 3.732 37.215 30.664) 48.365 1.676 ( -1.522 4.992 -1.639) 5.470 1.963 ( 2.166 4.192 4.759) 6.701 2.054 ( 0.366 5.386 1.348) 5.565 2.150 ( -2.168 6.969 -8.376) 11.109 2.242 ( -4.567 5.498 0.479) 7.163 2.260 ( 7.570 4.570 6.294) 10.853 2.354 ( -4.681 11.470 -12.086) 17.307 2.417 ( 2.416 11.006 0.249) 11.270 2.463 ( 1.992 14.793 -5.150) 15.790 2.558 ( 1.418 7.587 -2.591) 8.141 2.577 ( -5.870 6.478 2.447) 9.078 2.616 ( -1.151 4.427 6.250) 7.745 2.788 ( 2.255 10.167 -2.436) 10.695 2.829 ( -0.850 4.596 -5.878) 7.510 2.851 ( -1.323 0.793 -4.186) 4.461 2.899 ( -0.509 6.148 -2.776) 6.765 3.006 ( 2.338 7.708 2.283) 8.373 3.058 ( -1.588 0.732 -1.340) 2.203 3.122 ( -1.087 0.040 3.236) 3.414 3.166 ( 0.125 10.078 0.594) 10.096 3.239 ( 3.093 5.532 0.761) 6.383 3.328 ( 0.774 37.637 -0.183) 37.645 3.421 ( -0.221 27.208 -1.855) 27.272 3.423 ( -0.085 15.604 0.006) 15.604 3.556 ( -2.692 10.696 -1.965) 11.203 3.608 ( -3.168 6.123 -0.184) 6.896 3.665 ( -0.350 7.318 -0.882) 7.380 3.825 ( 3.809 36.184 2.373) 36.461 3.964 ( 3.586 15.455 -2.297) 16.031 4.025 ( -5.464 9.034 3.818) 11.227 4.159 ( 2.487 33.020 -1.148) 33.133 4.186 ( -3.557 33.286 0.620) 33.482 4.270 ( 4.058 16.396 -3.603) 17.271 4.546 ( 3.532 2.340 4.287) 6.027 4.723 ( -0.947 18.663 9.209) 20.833 4.846 ( -0.914 2.881 0.018) 3.023 4.926 ( -1.171 12.806 -4.878) 13.753 5.008 ( 0.104 4.359 -3.065) 5.329 5.060 ( 0.996 0.729 -5.505) 5.641 5.177 ( 1.157 -6.603 4.753) 8.218 5.283 ( -1.093 -2.971 0.113) 3.168 5.336 ( 0.022 -0.073 -0.179) 0.195 5.400 ( -0.562 -1.719 1.317) 2.237 5.530 ( -1.343 -1.908 -1.584) 2.820 5.606 ( 0.813 5.711 -0.303) 5.777 5.656 ( -1.133 3.326 -3.642) 5.061 5.793 ( -0.013 3.917 2.515) 4.655 5.870 ( 0.714 1.911 -0.770) 2.181 6.035 ( -1.068 -0.243 4.012) 4.159 6.064 ( 2.839 -2.783 3.757) 5.470 6.145 ( -0.304 -3.924 -0.452) 3.962 6.228 ( 1.061 4.564 -2.362) 5.248 6.280 ( -2.347 -0.911 -2.898) 3.839 6.324 ( 0.801 6.309 0.021) 6.359 6.380 ( -0.546 4.866 0.538) 4.926 6.445 ( 0.118 1.583 0.062) 1.589 6.490 ( -2.160 6.741 0.584) 7.102 6.509 ( -0.272 2.584 -0.019) 2.598 6.548 ( 0.523 4.100 1.490) 4.394 6.575 ( 1.892 5.259 -0.853) 5.654 6.688 ( -0.367 3.838 -3.201) 5.011 6.761 ( -0.310 4.816 -1.786) 5.146 6.797 ( 0.540 5.491 2.808) 6.191 6.821 ( 0.540 9.765 1.762) 9.937 6.886 ( -2.281 6.233 -2.314) 7.029 6.908 ( -0.762 7.086 -2.457) 7.539 6.937 ( 0.815 1.129 -2.927) 3.241 6.957 ( -0.244 4.620 -1.057) 4.746 7.043 ( 1.243 0.345 -1.929) 2.320 7.202 ( -0.465 0.436 0.291) 0.700 7.386 ( -1.552 -0.437 8.546) 8.697 7.544 ( -0.723 -0.366 -4.951) 5.017 7.619 ( 0.483 -0.888 -1.068) 1.470 7.674 ( 2.849 -4.567 -0.644) 5.421 7.756 ( 0.517 -14.031 9.502) 16.954 7.861 ( 0.565 -3.688 3.132) 4.872 7.940 ( -1.832 -5.006 -0.762) 5.384 7.981 ( 0.123 -4.365 0.422) 4.387 8.038 ( 0.824 -12.942 -4.101) 13.601 8.126 ( -0.055 -0.510 -0.039) 0.514 8.455 ( -0.297 -2.603 0.013) 2.620 8.571 ( 1.243 -16.171 -1.308) 16.271 8.654 ( -1.151 -17.011 1.312) 17.100 8.815 ( 0.242 -8.187 -0.579) 8.211 8.852 ( -0.113 -8.654 0.343) 8.662 8.967 ( 0.432 -3.228 -1.482) 3.578 9.070 ( -0.395 -3.792 1.500) 4.097 9.383 ( 0.034 2.528 0.981) 2.711 9.406 ( -0.040 5.607 -0.903) 5.679 9.419 ( 1.471 9.045 0.693) 9.190 9.505 ( -3.170 7.590 1.738) 8.407 9.796 ( -1.618 30.948 9.833) 32.512 10.286 ( -2.453 19.767 -20.540) 28.612 10.331 ( -7.484 12.412 -11.140) 18.280 10.336 ( 17.140 7.932 -4.755) 19.476 10.739 ( -1.068 6.147 1.804) 6.495 10.834 ( 0.782 19.366 -12.558) 23.095 11.280 ( -0.228 -2.704 0.417) 2.746 11.318 ( -0.549 -5.036 -1.104) 5.185 11.550 ( -0.899 6.818 -2.043) 7.174 11.753 ( 2.650 5.536 3.068) 6.862 11.873 ( 0.957 1.164 1.666) 2.246 11.908 ( -2.491 5.794 -2.448) 6.766 12.404 ( -1.007 0.996 0.355) 1.461 12.526 ( 0.624 10.123 -0.536) 10.157 12.734 ( 0.155 21.500 0.748) 21.514 12.796 ( 0.180 28.735 0.523) 28.740 13.004 ( -4.839 0.920 7.537) 9.004 13.109 ( 1.917 15.317 -2.972) 15.720 13.183 ( -1.397 15.265 2.505) 15.532 13.256 ( 2.535 -0.002 -4.256) 4.954 13.465 ( -1.552 1.933 4.381) 5.034 13.976 ( -8.811 25.565 -16.501) 31.678 14.494 ( 1.418 -2.380 2.249) 3.568 14.710 ( 5.078 27.072 -13.431) 30.644 19.254 ( 18.541 -19.374 13.848) 30.181 19.440 ( -8.153 -14.709 -2.168) 16.957 20.843 ( -3.271 -2.023 0.067) 3.847 20.871 ( -3.461 -3.162 1.295) 4.864 21.767 ( 0.154 -9.330 6.701) 11.488 21.958 ( 1.928 -8.273 -2.642) 8.896 ======================= Grid point 70 (27/49) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 12.262 16.089 12.278) 23.664 1.055 ( 16.360 9.446 18.240) 26.260 1.307 ( 6.870 9.253 -18.830) 22.077 1.397 ( 8.867 11.725 -17.044) 22.508 1.536 ( -10.971 7.889 -1.092) 13.557 1.897 ( -14.698 7.176 -0.468) 16.363 1.964 ( 14.789 20.614 15.137) 29.543 2.028 ( -7.382 11.126 4.513) 14.094 2.080 ( -2.492 2.903 2.929) 4.819 2.129 ( 3.888 5.770 1.838) 7.196 2.244 ( -6.773 7.585 1.724) 10.314 2.337 ( -3.323 8.553 -4.683) 10.302 2.370 ( 7.840 11.886 -11.905) 18.560 2.469 ( -0.653 7.898 -4.788) 9.259 2.517 ( 5.639 8.638 6.653) 12.275 2.586 ( 0.564 6.464 4.259) 7.762 2.679 ( 0.499 3.766 0.580) 3.843 2.724 ( -4.171 8.977 -2.707) 10.262 2.751 ( -2.175 6.219 -1.450) 6.746 2.875 ( -0.933 14.754 0.628) 14.797 2.946 ( 3.504 2.826 -4.811) 6.588 3.027 ( 0.531 4.960 1.095) 5.107 3.040 ( -0.398 8.093 0.067) 8.104 3.150 ( 1.615 3.673 0.264) 4.021 3.237 ( 1.290 12.944 -0.139) 13.009 3.244 ( -1.712 9.462 -2.649) 9.974 3.295 ( -7.194 18.595 -1.244) 19.977 3.359 ( -2.073 25.909 4.146) 26.321 3.422 ( -2.102 18.779 -0.040) 18.897 3.463 ( -0.950 29.676 -1.249) 29.718 3.539 ( -4.841 6.949 2.026) 8.708 3.642 ( -0.185 5.525 -5.223) 7.605 3.880 ( 3.134 29.908 1.961) 30.136 3.914 ( 2.101 18.416 0.255) 18.537 4.074 ( -1.115 23.131 5.205) 23.736 4.137 ( -0.810 25.569 -3.750) 25.855 4.163 ( -0.650 29.347 0.145) 29.355 4.285 ( -1.127 13.746 0.041) 13.792 4.560 ( 0.629 4.608 -1.017) 4.761 4.769 ( -5.753 5.228 1.808) 7.981 4.825 ( 5.033 11.588 9.065) 15.549 4.865 ( -2.783 12.770 -5.808) 14.302 4.947 ( -2.580 0.836 -1.541) 3.119 5.081 ( -6.446 2.220 -2.136) 7.144 5.112 ( 0.162 0.359 -4.600) 4.617 5.279 ( 1.793 -2.502 3.859) 4.937 5.341 ( -0.639 -3.859 -1.350) 4.138 5.385 ( 1.461 -4.549 1.983) 5.173 5.576 ( 0.401 5.288 -0.872) 5.374 5.647 ( 1.861 1.596 -0.236) 2.463 5.688 ( 4.524 0.314 0.982) 4.640 5.824 ( 2.785 0.620 1.918) 3.438 5.875 ( 0.036 2.768 -2.253) 3.569 5.990 ( -3.338 -0.188 3.544) 4.872 6.079 ( -0.699 -0.826 -2.599) 2.815 6.151 ( 0.805 -3.848 -0.442) 3.956 6.192 ( -4.057 -0.880 -0.904) 4.249 6.251 ( 0.513 4.402 0.124) 4.433 6.328 ( 0.283 5.005 -1.284) 5.175 6.363 ( -1.498 4.617 2.298) 5.371 6.434 ( -1.997 7.445 1.896) 7.938 6.444 ( -2.577 2.079 -0.159) 3.315 6.447 ( -0.245 3.217 -0.462) 3.259 6.572 ( 0.212 3.411 0.983) 3.556 6.633 ( 2.480 9.569 -2.236) 10.135 6.695 ( 0.821 3.899 -1.497) 4.256 6.763 ( 1.660 2.348 -0.502) 2.919 6.835 ( -1.262 2.125 -0.973) 2.656 6.861 ( 1.906 3.694 1.047) 4.286 6.886 ( 1.703 5.246 0.366) 5.528 6.916 ( 1.513 9.380 -0.407) 9.510 6.941 ( 3.192 5.223 -0.699) 6.161 6.970 ( 1.669 4.536 -1.775) 5.149 7.053 ( -0.054 2.098 -2.551) 3.303 7.246 ( 3.787 0.950 1.473) 4.174 7.381 ( -1.796 -1.157 9.130) 9.377 7.548 ( 0.591 1.444 -4.253) 4.530 7.646 ( 2.667 -2.323 1.093) 3.702 7.743 ( 3.603 -4.847 -2.786) 6.650 7.751 ( -1.797 -8.277 1.712) 8.641 7.855 ( -2.360 -4.119 -0.348) 4.760 7.971 ( 3.110 -8.196 2.609) 9.147 7.984 ( 1.506 -5.816 2.308) 6.436 8.041 ( 0.712 -9.166 -4.194) 10.105 8.126 ( 0.201 -0.355 -0.050) 0.411 8.428 ( -1.717 -2.996 -0.460) 3.483 8.534 ( -8.375 -6.256 1.484) 10.559 8.555 ( -6.116 -8.389 -0.887) 10.420 8.775 ( -3.877 -13.884 -0.659) 14.430 8.786 ( -3.292 -15.719 -0.017) 16.060 8.937 ( -1.230 -3.800 -1.344) 4.215 9.015 ( -3.136 -3.180 1.168) 4.617 9.343 ( -4.782 7.332 2.394) 9.075 9.381 ( -2.528 12.866 -1.391) 13.186 9.399 ( -0.551 1.853 -0.967) 2.162 9.403 ( -1.933 6.040 0.383) 6.353 9.739 ( -2.762 19.516 4.784) 20.283 9.937 ( -8.150 18.318 -9.146) 22.036 10.541 ( 13.872 7.332 2.032) 15.822 10.662 ( 2.952 1.033 -0.207) 3.134 10.792 ( 3.800 5.890 2.280) 7.371 10.897 ( 11.585 16.253 -15.514) 25.279 11.284 ( 0.435 -2.170 0.950) 2.409 11.325 ( 1.181 -3.771 -3.167) 5.064 11.451 ( -6.276 8.726 -0.513) 10.761 11.713 ( -5.064 9.242 -4.380) 11.412 11.898 ( 1.091 -1.259 1.160) 2.030 11.945 ( 3.772 5.241 2.631) 6.972 12.422 ( 2.167 2.420 2.806) 4.293 12.552 ( 2.059 10.493 -1.982) 10.875 12.731 ( -0.285 25.795 0.589) 25.803 12.831 ( 0.609 25.470 -0.203) 25.478 12.895 ( -4.568 -0.266 9.480) 10.526 13.125 ( 0.562 21.667 -2.267) 21.793 13.147 ( -2.492 21.966 2.110) 22.207 13.265 ( -1.948 -4.287 -2.239) 5.214 13.346 ( -5.186 1.056 2.430) 5.824 13.697 ( -12.646 22.217 1.623) 25.616 14.522 ( 2.612 10.009 -0.827) 10.377 14.745 ( 1.091 5.066 -4.863) 7.107 19.120 ( -11.929 -7.694 -8.475) 16.533 19.462 ( -2.015 -16.846 8.690) 19.062 21.015 ( 15.746 -3.311 -7.517) 17.760 21.120 ( 15.935 -5.471 8.557) 18.896 21.716 ( -5.210 -9.738 2.635) 11.354 21.903 ( -5.627 -8.949 -5.111) 11.742 ======================= Grid point 71 (28/49) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -9.745 12.485 1.126) 15.878 1.327 ( -5.123 6.263 5.718) 9.908 1.389 ( 0.014 8.485 -10.202) 13.270 1.523 ( 8.275 11.908 6.304) 15.812 1.581 ( 15.738 3.903 10.835) 19.502 1.651 ( 4.806 7.585 -9.157) 12.825 1.744 ( -0.624 11.065 -9.910) 14.867 1.903 ( -13.088 4.942 -12.891) 19.023 2.016 ( -2.972 1.364 3.594) 4.859 2.236 ( -4.137 1.902 1.843) 4.913 2.321 ( 8.765 4.616 8.625) 13.135 2.414 ( -13.297 12.938 3.847) 18.948 2.427 ( -3.303 10.235 3.641) 11.354 2.464 ( -0.612 6.488 1.870) 6.780 2.503 ( 4.130 7.838 1.498) 8.985 2.636 ( -3.156 5.292 2.843) 6.785 2.698 ( -4.361 7.959 5.241) 10.480 2.748 ( 11.200 17.005 7.133) 21.575 2.826 ( 6.411 14.547 -9.839) 18.696 2.860 ( 6.449 8.169 0.500) 10.420 2.896 ( -1.439 13.764 -0.475) 13.847 2.963 ( -0.071 6.794 -5.480) 8.729 3.056 ( 0.682 10.946 -5.612) 12.319 3.127 ( -1.297 12.264 -2.459) 12.576 3.147 ( -0.021 8.800 -0.475) 8.813 3.256 ( -2.546 7.409 2.334) 8.174 3.275 ( -2.318 8.924 -1.601) 9.358 3.317 ( 0.101 11.511 -1.019) 11.557 3.383 ( 2.016 21.784 -0.186) 21.878 3.460 ( -1.873 26.261 0.041) 26.327 3.516 ( 4.138 32.345 -1.171) 32.630 3.622 ( -0.451 9.335 -7.051) 11.707 3.894 ( -0.789 31.038 5.559) 31.541 4.015 ( -3.374 26.870 1.128) 27.105 4.038 ( 3.305 13.732 2.033) 14.270 4.125 ( 0.522 35.487 -1.138) 35.510 4.153 ( -3.825 14.685 2.533) 15.385 4.274 ( 0.882 10.094 0.741) 10.159 4.577 ( 1.685 7.059 2.349) 7.628 4.697 ( -1.538 4.624 -0.962) 4.967 4.755 ( -5.203 10.954 0.599) 12.142 4.885 ( 1.895 1.232 -3.440) 4.116 4.972 ( 4.384 9.111 2.070) 10.321 4.999 ( -1.070 3.703 -0.805) 3.938 5.103 ( 0.181 2.030 -2.938) 3.576 5.298 ( -0.160 -4.749 0.458) 4.774 5.355 ( 0.837 -3.079 1.508) 3.529 5.395 ( -0.892 -7.246 0.627) 7.327 5.573 ( 0.093 6.646 -1.246) 6.762 5.690 ( 1.375 4.253 0.711) 4.526 5.731 ( 0.189 0.862 1.860) 2.058 5.826 ( -1.859 -2.498 -1.942) 3.670 5.911 ( -0.292 1.772 0.166) 1.804 5.932 ( -0.788 1.038 2.112) 2.482 6.078 ( 0.332 -2.821 -1.637) 3.278 6.145 ( -0.783 -3.019 -1.118) 3.313 6.162 ( 1.137 0.769 -0.470) 1.451 6.256 ( 1.067 5.072 -0.825) 5.249 6.326 ( -0.488 2.102 -0.587) 2.236 6.334 ( -0.687 5.095 2.159) 5.576 6.404 ( -1.402 2.687 0.527) 3.077 6.430 ( 0.471 4.304 1.989) 4.765 6.460 ( 1.851 4.143 -1.013) 4.649 6.573 ( -0.179 3.282 0.535) 3.331 6.647 ( -0.943 10.741 -0.733) 10.808 6.714 ( 1.560 5.776 -1.818) 6.253 6.795 ( 1.179 1.023 -0.079) 1.562 6.822 ( -0.116 1.715 -2.569) 3.091 6.869 ( -0.175 2.898 -0.207) 2.911 6.887 ( 0.443 2.610 0.461) 2.688 6.940 ( -2.526 2.830 -0.391) 3.813 6.975 ( 1.814 8.855 -1.990) 9.255 7.024 ( 0.882 4.923 -0.393) 5.017 7.045 ( 0.195 6.268 -1.867) 6.543 7.323 ( 0.743 -0.415 0.551) 1.014 7.378 ( 1.094 2.365 9.939) 10.275 7.495 ( -4.411 2.388 1.332) 5.189 7.701 ( 2.059 -2.700 0.457) 3.425 7.722 ( -2.672 -1.126 -2.097) 3.578 7.790 ( 0.925 -8.588 -0.455) 8.650 7.814 ( 0.209 -1.927 -4.724) 5.106 7.951 ( -2.402 -4.357 2.508) 5.572 8.039 ( 0.659 -11.192 -2.788) 11.553 8.090 ( 0.718 -1.993 3.840) 4.385 8.135 ( -0.075 -1.526 -0.240) 1.547 8.366 ( -0.881 -3.214 2.067) 3.922 8.431 ( 1.285 -2.820 -1.054) 3.273 8.452 ( 0.299 -1.631 -2.585) 3.071 8.729 ( -0.156 -23.797 -0.497) 23.803 8.754 ( -0.109 -19.258 0.305) 19.261 8.921 ( -0.067 -3.711 -1.163) 3.890 8.989 ( -0.108 -4.367 0.817) 4.444 9.296 ( -0.101 6.080 1.235) 6.205 9.345 ( 0.695 7.761 -1.459) 7.928 9.387 ( -0.387 4.454 0.202) 4.476 9.402 ( 0.345 6.156 -0.437) 6.181 9.724 ( -0.081 17.038 3.517) 17.397 9.844 ( -0.359 13.831 -4.665) 14.601 10.671 ( -0.957 2.253 1.121) 2.692 10.699 ( 1.745 1.855 -1.235) 2.830 10.839 ( -2.685 12.148 3.641) 12.963 11.045 ( 1.748 2.043 -4.011) 4.829 11.291 ( -0.123 -3.539 0.892) 3.651 11.338 ( 2.354 2.852 0.401) 3.719 11.397 ( 2.385 8.658 -6.502) 11.087 11.594 ( -2.435 12.689 -8.110) 15.255 11.911 ( -0.635 -2.202 2.485) 3.381 12.008 ( 0.908 5.420 1.912) 5.818 12.487 ( 1.746 4.730 4.841) 6.990 12.574 ( -0.876 10.199 -3.133) 10.705 12.725 ( -0.849 22.267 1.925) 22.366 12.774 ( 0.576 11.160 2.366) 11.423 12.952 ( 1.948 16.479 3.863) 17.037 13.062 ( -2.806 15.385 -1.420) 15.703 13.167 ( 2.091 24.564 2.025) 24.736 13.186 ( -2.388 5.798 0.684) 6.308 13.330 ( 2.196 -1.435 -2.743) 3.795 13.540 ( -0.719 15.002 2.269) 15.190 14.560 ( 0.006 13.927 -0.317) 13.930 14.741 ( -0.783 -0.738 -1.171) 1.591 18.926 ( -5.159 -3.392 -3.604) 7.150 19.464 ( 1.424 -12.835 4.491) 13.672 21.145 ( -4.165 -1.883 -1.159) 4.715 21.467 ( 12.318 -6.462 12.185) 18.492 21.674 ( 4.202 -8.795 -4.599) 10.778 21.712 ( -10.522 -11.942 -9.319) 18.444 ======================= Grid point 72 (29/49) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -10.699 19.408 13.134) 25.762 0.978 ( -14.936 16.873 15.478) 27.338 1.309 ( -2.020 11.812 -16.243) 20.185 1.536 ( -10.756 5.605 -19.974) 23.368 1.659 ( 3.824 5.807 -11.705) 13.615 1.782 ( -14.336 26.139 13.443) 32.702 1.862 ( 0.101 7.992 9.190) 12.179 1.989 ( 7.791 4.245 8.027) 11.965 2.019 ( 11.038 5.962 1.160) 12.599 2.150 ( 12.084 6.962 5.592) 15.025 2.209 ( -1.098 3.844 7.286) 8.311 2.318 ( -4.794 3.003 -2.147) 6.051 2.424 ( 1.934 11.452 -7.650) 13.908 2.488 ( -2.458 6.923 -6.000) 9.485 2.542 ( 1.439 3.520 1.851) 4.229 2.608 ( -0.061 5.886 4.033) 7.136 2.656 ( -2.675 18.186 -0.010) 18.382 2.765 ( 1.122 8.642 -4.376) 9.752 2.868 ( -2.188 4.316 -8.551) 9.825 2.919 ( 1.436 12.450 -2.258) 12.735 2.951 ( -2.713 6.380 -2.985) 7.548 2.981 ( -0.770 6.562 -0.840) 6.660 3.063 ( 0.823 5.042 -1.536) 5.335 3.114 ( 2.250 10.920 2.966) 11.537 3.170 ( -1.721 3.994 1.138) 4.495 3.245 ( -1.562 6.613 2.294) 7.172 3.294 ( 1.631 28.683 0.014) 28.729 3.365 ( 6.878 9.445 3.531) 12.206 3.427 ( 0.638 20.033 -0.552) 20.051 3.492 ( 7.299 27.696 -1.795) 28.698 3.589 ( 1.896 4.654 -3.166) 5.940 3.651 ( 6.793 22.626 -7.968) 24.931 3.826 ( -10.701 12.539 4.746) 17.154 3.949 ( -1.179 27.179 0.135) 27.205 4.068 ( 3.776 36.782 0.323) 36.977 4.088 ( -0.009 23.438 7.568) 24.630 4.165 ( 2.030 26.958 -1.443) 27.073 4.287 ( -1.401 9.815 -0.533) 9.929 4.535 ( -5.968 7.978 -0.768) 9.993 4.694 ( 2.985 11.319 7.459) 13.881 4.787 ( 4.709 5.406 2.055) 7.458 4.955 ( 1.287 -1.104 -2.353) 2.900 4.981 ( 0.980 10.349 -4.209) 11.215 5.044 ( 1.993 4.970 -0.087) 5.355 5.115 ( 3.153 -0.084 -3.031) 4.375 5.314 ( 1.204 -3.332 0.910) 3.658 5.319 ( -2.781 -2.188 0.338) 3.554 5.401 ( -0.387 -8.016 0.580) 8.046 5.575 ( 0.294 5.853 -0.846) 5.921 5.688 ( -1.809 3.962 -2.767) 5.160 5.714 ( -5.694 -2.343 -1.724) 6.394 5.780 ( 0.232 0.301 5.704) 5.717 5.862 ( -0.559 2.861 -1.991) 3.530 5.970 ( 1.981 3.558 4.647) 6.180 6.058 ( -0.718 -2.479 -0.388) 2.610 6.141 ( 0.173 -3.657 0.290) 3.673 6.202 ( 2.452 2.232 -2.430) 4.111 6.290 ( 1.712 5.270 -0.993) 5.630 6.317 ( -0.467 3.169 -0.251) 3.213 6.377 ( 4.213 3.180 1.623) 5.523 6.384 ( -0.103 2.680 0.438) 2.718 6.444 ( 0.648 1.444 0.240) 1.601 6.515 ( 2.907 7.113 -1.210) 7.779 6.569 ( -0.481 1.802 0.521) 1.936 6.596 ( -3.627 9.105 1.002) 9.852 6.728 ( -0.324 5.910 -4.021) 7.155 6.780 ( -2.160 2.986 -0.084) 3.686 6.819 ( -0.908 1.767 -2.554) 3.236 6.847 ( -2.248 5.006 1.246) 5.627 6.887 ( 1.491 0.672 0.483) 1.705 6.936 ( 1.434 1.990 1.553) 2.903 6.955 ( -2.295 9.551 -3.759) 10.518 6.989 ( -3.576 6.540 -2.218) 7.777 7.036 ( 0.214 3.452 -2.196) 4.097 7.264 ( -4.270 -0.491 -1.560) 4.572 7.417 ( -3.220 1.316 6.404) 7.288 7.502 ( 6.397 -0.978 6.445) 9.133 7.627 ( -4.748 -3.415 -1.022) 5.937 7.697 ( -2.434 -3.686 -1.566) 4.686 7.777 ( -3.171 -3.662 -0.103) 4.845 7.824 ( 2.056 -3.440 2.343) 4.643 7.947 ( 1.614 -4.760 1.467) 5.236 8.008 ( -3.854 -3.637 1.949) 5.647 8.047 ( -0.724 -12.845 -3.846) 13.428 8.128 ( -0.203 -0.935 -0.145) 0.967 8.434 ( 2.274 -3.257 -0.701) 4.033 8.501 ( 5.935 -6.889 1.607) 9.234 8.597 ( 7.651 -7.778 -1.485) 11.011 8.770 ( 3.977 -13.376 -0.270) 13.958 8.785 ( 3.708 -16.090 -0.097) 16.512 8.932 ( 1.588 -2.885 -0.947) 3.427 9.015 ( 2.905 -3.835 1.137) 4.943 9.335 ( 3.294 6.746 1.696) 7.696 9.380 ( -0.055 7.505 0.371) 7.515 9.404 ( 1.255 1.886 -1.272) 2.598 9.429 ( 6.375 11.315 -1.646) 13.091 9.748 ( 1.161 21.144 5.931) 21.991 9.906 ( 10.366 18.600 -9.192) 23.193 10.556 ( -14.434 5.461 1.940) 15.554 10.636 ( -6.280 4.770 -0.117) 7.887 10.761 ( -0.983 6.321 0.402) 6.409 10.949 ( -7.113 11.543 -13.452) 19.100 11.282 ( -0.400 -4.137 0.637) 4.204 11.357 ( -1.266 -2.754 -5.725) 6.478 11.485 ( 6.399 10.802 -3.313) 12.985 11.640 ( 6.038 9.720 0.649) 11.461 11.887 ( -1.957 -1.808 2.436) 3.610 11.984 ( -3.066 5.975 -0.760) 6.758 12.464 ( -4.227 -0.273 -0.336) 4.249 12.527 ( -0.646 13.277 -0.024) 13.293 12.725 ( 0.156 22.721 1.149) 22.751 12.815 ( -1.050 23.201 1.451) 23.270 13.011 ( 4.924 -1.263 3.788) 6.339 13.057 ( 0.590 12.332 -0.652) 12.364 13.194 ( 2.289 20.601 -0.768) 20.742 13.200 ( 0.411 7.604 1.981) 7.868 13.402 ( 4.248 3.025 -1.140) 5.338 13.767 ( 22.749 19.385 -2.895) 30.028 14.506 ( -4.389 11.954 -0.032) 12.734 14.706 ( -1.724 10.375 -2.722) 10.864 18.897 ( 4.001 -3.374 9.284) 10.657 19.521 ( 1.231 -14.714 2.392) 14.958 20.939 ( -10.920 -1.165 0.422) 10.990 21.349 ( -22.024 -15.558 -11.881) 29.467 21.677 ( 5.618 -7.029 10.217) 13.615 21.843 ( 9.157 -7.614 -3.798) 12.500 ======================= Grid point 73 (30/49) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.145 25.488 7.978) 26.708 1.368 ( -3.717 22.477 6.043) 23.571 1.556 ( -0.879 16.333 -15.519) 22.547 1.641 ( 4.797 17.585 -8.969) 20.314 1.799 ( -1.785 8.962 -3.876) 9.926 2.086 ( 1.412 8.196 2.816) 8.781 2.153 ( 2.266 6.004 3.420) 7.272 2.214 ( -3.197 9.747 1.832) 10.420 2.309 ( -4.124 7.972 1.797) 9.154 2.350 ( 6.348 7.509 9.098) 13.396 2.444 ( -0.520 20.458 10.157) 22.846 2.523 ( 1.126 15.431 1.975) 15.598 2.635 ( -2.884 2.460 9.160) 9.914 2.655 ( 1.537 5.105 -3.336) 6.289 2.705 ( 5.233 7.516 -1.880) 9.349 2.736 ( -7.834 8.462 0.233) 11.534 2.831 ( 5.399 13.951 -7.396) 16.688 2.844 ( -5.271 5.144 -6.412) 9.765 2.894 ( 3.263 6.619 -5.242) 9.052 2.973 ( -2.179 9.522 -2.485) 10.079 3.034 ( 0.701 8.413 -7.452) 11.260 3.108 ( -2.904 4.614 -1.125) 5.567 3.115 ( 1.817 6.569 3.302) 7.573 3.235 ( 1.043 8.942 3.629) 9.707 3.257 ( -1.161 3.355 1.221) 3.754 3.341 ( 1.719 7.257 -1.438) 7.595 3.585 ( -0.006 6.183 1.019) 6.266 3.623 ( -1.505 4.565 -0.904) 4.891 3.730 ( 4.776 4.351 -0.809) 6.511 3.746 ( -6.182 6.665 -2.182) 9.348 3.849 ( -0.152 16.707 -0.239) 16.709 3.991 ( -0.284 17.404 2.554) 17.593 4.057 ( 4.684 5.687 2.127) 7.668 4.205 ( -2.995 9.307 -1.534) 9.896 4.451 ( 0.068 3.356 2.294) 4.065 4.577 ( 2.201 11.140 -0.981) 11.397 4.642 ( -0.776 6.387 1.397) 6.584 4.858 ( -0.879 7.222 -1.101) 7.358 4.911 ( 0.386 30.060 -0.038) 30.063 4.984 ( -1.719 2.095 0.811) 2.829 5.029 ( 1.209 1.647 -1.436) 2.497 5.135 ( -0.280 12.071 2.596) 12.350 5.232 ( 0.799 21.929 -1.509) 21.995 5.275 ( 0.446 31.723 -0.166) 31.727 5.365 ( 1.159 6.346 1.001) 6.529 5.396 ( -0.413 5.364 -0.147) 5.382 5.522 ( -0.632 14.330 0.260) 14.346 5.537 ( -0.570 13.221 -1.545) 13.323 5.566 ( -0.641 18.666 0.968) 18.702 5.791 ( 0.964 -0.525 3.406) 3.579 5.874 ( 1.083 25.737 -1.589) 25.809 5.911 ( -0.315 4.747 -3.060) 5.657 5.989 ( -1.339 31.584 -1.270) 31.638 6.031 ( 0.377 1.605 2.103) 2.672 6.071 ( -0.088 4.750 -1.591) 5.010 6.181 ( 1.132 16.942 4.138) 17.477 6.273 ( -0.753 8.595 -4.086) 9.546 6.377 ( -1.735 8.515 0.104) 8.690 6.403 ( 1.199 4.374 -0.311) 4.546 6.492 ( -0.420 3.470 0.936) 3.618 6.527 ( -0.568 7.158 4.725) 8.595 6.558 ( 2.116 3.730 0.324) 4.300 6.597 ( 0.872 7.177 -0.567) 7.252 6.678 ( -3.167 8.611 -3.034) 9.663 6.698 ( 0.301 6.756 3.446) 7.590 6.807 ( -0.200 6.336 -3.821) 7.402 6.845 ( 0.175 3.264 -3.378) 4.701 6.900 ( -0.070 2.772 0.675) 2.854 6.931 ( 0.995 6.886 1.802) 7.186 6.989 ( -0.699 4.978 -0.263) 5.034 7.007 ( 2.425 3.090 -1.892) 4.360 7.074 ( -0.634 8.116 -1.501) 8.278 7.089 ( -0.223 5.783 -0.348) 5.798 7.133 ( -0.312 11.213 -1.196) 11.281 7.198 ( -0.199 0.421 1.017) 1.119 7.389 ( -2.783 1.414 7.486) 8.111 7.498 ( 0.869 -3.488 5.521) 6.588 7.564 ( 3.854 -1.345 -4.553) 6.115 7.615 ( -1.297 -2.766 -1.194) 3.280 7.641 ( -1.535 0.324 -2.970) 3.359 7.783 ( 1.455 -5.481 -1.458) 5.856 7.815 ( -0.421 -2.689 0.805) 2.838 7.879 ( -0.244 -5.794 -0.345) 5.810 7.903 ( -0.041 -3.970 1.148) 4.133 8.122 ( -0.223 -1.218 -0.419) 1.308 8.286 ( 0.221 -8.958 -0.307) 8.966 8.318 ( -0.298 -13.828 0.504) 13.841 8.392 ( 0.025 -4.677 0.334) 4.689 8.647 ( 0.715 -8.362 -0.544) 8.410 8.693 ( -0.631 -7.306 0.515) 7.351 8.883 ( 0.036 -4.916 -1.152) 5.049 8.962 ( -0.029 -6.604 1.134) 6.701 9.367 ( 0.020 -1.868 0.931) 2.088 9.389 ( 0.012 -2.564 -0.896) 2.716 9.636 ( 0.722 9.536 -0.629) 9.584 9.704 ( -0.850 9.349 1.269) 9.473 10.085 ( -1.988 0.855 8.275) 8.553 10.325 ( 1.596 -8.520 -9.343) 12.745 10.429 ( -0.194 5.365 -0.266) 5.375 10.449 ( 0.691 6.307 0.275) 6.350 10.864 ( -0.842 1.662 4.462) 4.836 11.031 ( 2.067 -3.104 -8.845) 9.599 11.226 ( 2.052 -3.491 -1.209) 4.226 11.241 ( -2.427 -2.879 -1.307) 3.986 11.722 ( -1.622 7.936 -0.671) 8.128 11.800 ( 1.035 3.585 0.551) 3.772 12.076 ( 2.497 12.048 -0.438) 12.312 12.144 ( -2.633 15.411 -0.733) 15.652 12.377 ( 0.726 -0.452 -1.792) 1.986 12.581 ( -0.228 1.534 0.189) 1.563 12.765 ( -1.827 -6.490 9.155) 11.370 12.943 ( 2.064 -9.714 -7.191) 12.261 13.170 ( 2.096 0.088 1.260) 2.447 13.192 ( -2.654 -0.328 -0.164) 2.679 13.628 ( -1.650 24.433 1.430) 24.531 13.815 ( 0.569 29.778 2.416) 29.881 14.082 ( -0.271 54.501 1.184) 54.514 14.253 ( 1.255 20.961 -1.615) 21.061 14.889 ( -0.951 40.185 7.538) 40.897 15.401 ( -0.568 38.220 -23.101) 44.662 18.950 ( 7.293 -11.298 11.055) 17.408 19.125 ( -4.984 -15.479 -4.490) 16.870 20.813 ( -1.948 -0.709 0.056) 2.074 20.825 ( 0.634 -1.322 0.348) 1.507 21.612 ( -0.715 -6.480 4.138) 7.722 21.779 ( 1.275 -8.952 -2.666) 9.428 ======================= Grid point 74 (31/49) ======================= q-point: ( 0.25 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 2.339 20.022 5.108) 20.795 1.396 ( 9.017 21.168 6.984) 24.045 1.580 ( 6.400 17.547 -7.679) 20.195 1.706 ( 3.982 17.450 -11.019) 21.019 1.729 ( -4.644 11.070 -1.197) 12.065 2.052 ( -10.444 8.963 1.471) 13.841 2.135 ( -5.314 4.461 3.514) 7.777 2.147 ( -3.492 6.607 -1.706) 7.665 2.194 ( -2.017 7.435 -1.027) 7.771 2.382 ( -7.717 7.128 -1.927) 10.680 2.414 ( -10.298 5.325 0.153) 11.594 2.464 ( 2.808 6.267 11.064) 13.022 2.575 ( -4.737 4.822 -3.642) 7.678 2.635 ( 1.773 13.797 5.814) 15.076 2.725 ( 6.133 4.844 4.871) 9.209 2.782 ( 5.071 9.838 2.873) 11.435 2.837 ( 0.239 9.881 0.345) 9.890 2.841 ( -0.473 14.669 1.407) 14.744 2.941 ( 2.397 17.055 -7.991) 18.986 2.987 ( 4.937 4.122 -5.163) 8.247 3.092 ( 2.343 7.710 -3.072) 8.624 3.133 ( 3.109 7.189 2.042) 8.095 3.174 ( 4.489 8.984 -1.269) 10.123 3.248 ( 1.783 7.288 0.176) 7.505 3.331 ( 1.355 5.117 -3.158) 6.163 3.353 ( 3.253 5.775 2.032) 6.933 3.523 ( -6.780 8.358 2.385) 11.023 3.604 ( -3.045 5.904 -1.244) 6.759 3.642 ( -1.901 6.094 -3.596) 7.327 3.806 ( -1.191 14.254 0.698) 14.320 3.854 ( 4.120 11.371 2.824) 12.419 3.989 ( 0.900 14.566 -1.248) 14.647 4.127 ( 3.807 7.000 -3.032) 8.525 4.212 ( 1.367 9.057 4.139) 10.051 4.445 ( -0.783 5.649 1.093) 5.806 4.603 ( -0.572 10.416 -2.919) 10.833 4.625 ( 0.163 7.005 1.324) 7.130 4.829 ( -1.151 12.487 0.469) 12.549 4.895 ( -2.658 21.383 0.127) 21.547 4.920 ( -3.511 4.622 0.705) 5.848 5.037 ( 0.050 2.005 -1.687) 2.621 5.139 ( 0.083 10.906 2.345) 11.156 5.248 ( -2.990 28.503 0.320) 28.661 5.283 ( 1.492 9.407 -1.985) 9.729 5.313 ( -1.906 26.710 -1.656) 26.829 5.320 ( -3.758 8.111 0.825) 8.977 5.507 ( -0.593 14.919 0.482) 14.939 5.553 ( 0.521 16.255 0.024) 16.263 5.615 ( 3.359 7.432 0.267) 8.160 5.810 ( -0.278 0.572 2.548) 2.626 5.906 ( 0.003 3.221 -0.867) 3.335 5.926 ( 3.648 21.374 -2.782) 21.861 5.959 ( -0.599 32.973 1.006) 32.994 6.020 ( -1.302 10.427 0.711) 10.532 6.073 ( 0.659 -1.173 -1.762) 2.217 6.205 ( -2.231 4.445 -0.287) 4.981 6.209 ( -1.679 22.806 0.443) 22.872 6.344 ( -0.974 4.257 -0.137) 4.370 6.404 ( -1.328 5.033 -0.261) 5.212 6.471 ( -0.682 7.433 0.539) 7.484 6.492 ( -2.345 3.113 0.128) 3.900 6.552 ( -1.355 7.255 1.133) 7.467 6.607 ( -2.414 9.314 2.677) 9.987 6.661 ( 2.532 6.348 0.413) 6.847 6.748 ( 3.115 4.047 0.773) 5.165 6.811 ( 0.736 5.272 -1.268) 5.472 6.849 ( 0.975 4.439 -3.032) 5.464 6.890 ( -0.617 3.115 -0.758) 3.264 6.944 ( -1.457 6.124 -2.643) 6.827 6.959 ( 0.213 5.740 2.291) 6.184 7.038 ( 1.032 3.945 -3.573) 5.422 7.101 ( 1.333 3.454 -0.253) 3.711 7.107 ( 2.396 7.954 0.511) 8.322 7.158 ( 2.019 9.715 -0.354) 9.929 7.253 ( 3.754 0.944 1.702) 4.229 7.387 ( 0.157 1.771 7.573) 7.779 7.552 ( 2.515 -3.380 -2.310) 4.804 7.576 ( 1.399 -2.059 2.049) 3.224 7.635 ( 0.715 0.933 -2.434) 2.703 7.659 ( 3.376 -3.544 -1.953) 5.270 7.804 ( 0.484 -2.564 -1.711) 3.120 7.814 ( 0.347 -3.407 0.403) 3.449 7.874 ( 0.449 -6.595 0.685) 6.646 7.960 ( 5.141 -1.791 0.807) 5.504 8.130 ( 1.400 -1.330 -0.333) 1.960 8.262 ( -1.765 -9.878 -0.646) 10.055 8.297 ( -2.255 -13.763 1.107) 13.990 8.368 ( -1.901 -5.223 -0.184) 5.561 8.566 ( -10.033 -5.948 0.796) 11.691 8.623 ( -4.581 -5.488 -0.735) 7.187 8.852 ( -1.395 -5.297 -0.709) 5.523 8.930 ( -2.424 -6.187 0.650) 6.677 9.336 ( -2.798 -1.905 1.017) 3.534 9.356 ( -2.375 -2.537 -0.901) 3.590 9.635 ( -0.192 11.771 -1.411) 11.856 9.672 ( -2.314 12.954 1.914) 13.297 9.968 ( -5.501 4.551 3.930) 8.150 10.105 ( -9.337 1.628 -4.740) 10.597 10.558 ( 5.919 -2.007 0.706) 6.290 10.589 ( 5.013 -5.694 -0.862) 7.636 10.918 ( 4.139 0.722 3.682) 5.586 11.030 ( 0.340 -2.479 -4.950) 5.546 11.230 ( 0.366 -2.964 1.673) 3.423 11.276 ( 3.195 -2.551 -4.902) 6.383 11.686 ( -1.422 11.738 0.817) 11.851 11.819 ( 0.510 2.178 -0.196) 2.246 12.037 ( -3.340 12.486 -4.197) 13.589 12.164 ( 2.494 13.331 3.255) 13.947 12.411 ( 2.523 -0.163 -2.539) 3.583 12.598 ( 1.449 0.766 0.472) 1.706 12.727 ( -3.412 -5.307 7.486) 9.791 12.917 ( -2.560 -8.961 -5.946) 11.055 13.144 ( -1.103 -4.403 1.169) 4.687 13.233 ( 2.634 0.337 0.729) 2.754 13.615 ( 0.335 28.281 0.876) 28.296 13.828 ( -0.197 29.680 2.853) 29.818 14.056 ( -1.934 54.585 0.586) 54.622 14.205 ( -4.817 35.824 -1.632) 36.183 14.898 ( 0.969 36.083 3.951) 36.312 15.190 ( -10.216 36.187 -9.414) 38.762 18.949 ( -5.945 -8.588 -4.261) 11.281 19.117 ( 2.558 -16.186 5.355) 17.240 20.955 ( 12.929 -2.302 -3.055) 13.483 21.013 ( 13.788 -4.437 3.602) 14.926 21.541 ( -6.338 -7.392 3.521) 10.355 21.707 ( -7.097 -9.795 -3.783) 12.673 ======================= Grid point 75 (32/49) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.230 13.627 -1.391) 13.700 1.562 ( -4.925 16.251 3.706) 17.381 1.642 ( 0.377 15.789 0.547) 15.803 1.763 ( 10.382 14.909 4.909) 18.819 1.789 ( 9.042 14.487 3.017) 17.342 1.875 ( -1.336 12.752 -4.781) 13.684 1.969 ( -11.082 8.623 -8.831) 16.588 2.014 ( -1.279 11.571 -11.112) 16.094 2.100 ( -1.883 6.963 1.035) 7.287 2.275 ( -1.831 3.478 3.598) 5.328 2.413 ( 6.025 4.968 5.310) 9.443 2.485 ( -4.220 2.111 2.991) 5.587 2.517 ( -0.277 2.805 -3.452) 4.457 2.647 ( 1.928 7.020 2.331) 7.644 2.760 ( -2.693 12.097 5.339) 13.494 2.806 ( -0.991 3.674 2.682) 4.655 2.870 ( 1.565 4.291 5.912) 7.471 2.936 ( -3.337 13.403 0.654) 13.828 3.036 ( 3.510 7.157 -4.843) 9.327 3.045 ( -0.909 12.859 -1.293) 12.956 3.094 ( 2.594 7.333 -1.947) 8.019 3.122 ( -0.201 11.105 1.133) 11.165 3.236 ( -0.659 9.958 -1.121) 10.042 3.273 ( -1.773 8.184 -0.056) 8.374 3.371 ( 3.810 14.840 0.557) 15.332 3.418 ( -2.163 7.592 -0.191) 7.897 3.430 ( 2.068 9.343 0.079) 9.570 3.465 ( -0.985 10.351 -5.251) 11.649 3.653 ( 1.242 4.037 -4.296) 6.024 3.794 ( 0.193 15.197 0.152) 15.199 3.908 ( 0.113 8.209 4.447) 9.337 4.011 ( 0.780 15.573 -3.736) 16.034 4.188 ( -5.202 8.059 3.190) 10.109 4.221 ( 3.134 5.125 -0.234) 6.012 4.457 ( 1.755 10.053 1.375) 10.298 4.544 ( -3.565 8.357 0.771) 9.118 4.648 ( 0.955 10.623 -2.017) 10.855 4.829 ( 1.454 12.459 0.811) 12.570 4.845 ( -1.138 10.098 -0.640) 10.182 4.869 ( 0.567 13.665 0.717) 13.696 5.032 ( -0.184 -0.343 -1.377) 1.431 5.149 ( 0.032 2.265 1.021) 2.485 5.205 ( -0.140 42.673 1.069) 42.687 5.244 ( 0.006 3.163 -0.442) 3.194 5.284 ( -0.304 5.046 -1.358) 5.235 5.334 ( -0.227 37.801 -0.355) 37.803 5.499 ( -0.087 13.755 0.306) 13.758 5.558 ( -0.021 17.430 -0.021) 17.430 5.662 ( 1.134 3.218 -1.484) 3.721 5.793 ( -1.876 2.338 3.833) 4.866 5.903 ( -0.473 6.637 2.573) 7.134 5.949 ( 0.717 32.454 -1.073) 32.480 5.986 ( -1.088 5.021 -3.288) 6.100 6.017 ( 2.653 12.459 0.518) 12.749 6.066 ( -0.475 2.501 -3.217) 4.102 6.150 ( -0.685 22.536 0.850) 22.563 6.218 ( 1.118 8.727 0.799) 8.835 6.336 ( 0.633 3.121 -1.500) 3.520 6.371 ( -0.918 3.631 0.491) 3.778 6.459 ( 0.013 1.572 0.343) 1.609 6.471 ( -0.429 9.923 -0.574) 9.949 6.535 ( -0.764 8.417 1.790) 8.639 6.589 ( 0.085 8.427 3.054) 8.964 6.690 ( 0.031 7.908 0.997) 7.970 6.793 ( -0.514 4.279 -0.353) 4.324 6.812 ( 1.028 2.380 0.572) 2.655 6.862 ( 0.604 4.764 -2.645) 5.482 6.901 ( 1.599 6.866 -1.432) 7.194 6.921 ( -0.227 3.524 -2.989) 4.626 6.961 ( -0.085 5.467 1.107) 5.579 7.026 ( -1.468 6.563 -2.111) 7.049 7.114 ( -0.113 3.571 -0.291) 3.585 7.140 ( 0.243 5.591 1.572) 5.813 7.191 ( 0.939 6.784 -1.995) 7.134 7.302 ( -0.023 0.015 2.815) 2.815 7.394 ( -1.428 -0.877 5.286) 5.546 7.573 ( 0.221 3.327 -0.962) 3.470 7.617 ( -0.642 -5.754 -2.606) 6.349 7.649 ( -0.940 -1.650 -0.553) 1.978 7.710 ( 3.422 -0.190 3.053) 4.589 7.789 ( -2.517 -3.685 -2.465) 5.098 7.818 ( 0.738 -2.622 -0.909) 2.872 7.895 ( 0.152 -4.322 -0.543) 4.359 8.072 ( 0.219 0.385 2.698) 2.734 8.154 ( -0.434 0.120 -0.466) 0.648 8.220 ( -2.008 -10.875 1.630) 11.179 8.259 ( 0.939 -13.462 -0.760) 13.516 8.338 ( 0.495 -5.205 -1.281) 5.383 8.414 ( 1.994 -4.916 -0.679) 5.348 8.533 ( -1.212 -4.029 0.604) 4.250 8.840 ( 0.381 -5.450 -0.826) 5.525 8.900 ( -0.459 -6.049 0.510) 6.088 9.299 ( -0.244 -1.757 1.036) 2.054 9.322 ( 0.221 -2.548 -0.887) 2.707 9.626 ( -0.547 13.301 -0.370) 13.317 9.655 ( 0.946 15.334 0.116) 15.363 9.930 ( 0.366 4.335 2.447) 4.992 9.992 ( -0.543 2.127 -2.713) 3.490 10.617 ( -0.362 -5.637 0.647) 5.686 10.636 ( 0.392 -6.799 -0.658) 6.842 10.985 ( 0.458 -0.173 1.022) 1.133 11.025 ( -0.869 -4.033 -0.401) 4.145 11.231 ( -1.350 -2.821 1.867) 3.642 11.315 ( 1.803 -2.672 -4.344) 5.409 11.688 ( 1.672 14.400 0.769) 14.517 11.809 ( -1.108 4.252 -1.371) 4.603 11.984 ( -0.275 11.604 -2.943) 11.974 12.215 ( 0.969 11.936 2.493) 12.232 12.439 ( -0.040 -3.067 -2.393) 3.890 12.613 ( -0.085 -2.889 -0.115) 2.893 12.699 ( -0.728 0.117 5.736) 5.783 12.858 ( -0.218 -8.335 -3.173) 8.921 13.141 ( -0.090 -5.429 1.051) 5.530 13.270 ( 0.522 -0.935 0.144) 1.080 13.634 ( 1.118 29.491 -1.294) 29.541 13.824 ( -1.207 28.210 4.741) 28.631 14.049 ( 2.091 47.962 -0.631) 48.012 14.105 ( -2.703 57.109 -0.225) 57.173 14.955 ( 0.262 28.035 -0.422) 28.040 15.040 ( 1.785 35.634 -2.470) 35.764 18.842 ( -3.137 -4.668 -1.987) 5.965 19.165 ( 1.466 -15.705 2.657) 15.995 21.105 ( -3.114 -1.713 -0.766) 3.635 21.321 ( 10.825 -7.253 7.109) 14.844 21.475 ( -12.261 -10.519 -4.932) 16.890 21.483 ( 4.961 -9.312 -2.122) 10.763 ======================= Grid point 76 (33/49) ======================= q-point: (-0.25 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -6.819 22.234 3.330) 23.494 1.412 ( -4.238 20.796 7.973) 22.671 1.603 ( -0.651 16.882 -5.512) 17.771 1.700 ( -8.357 11.856 -15.523) 21.246 1.832 ( 0.604 11.755 -9.473) 15.109 1.997 ( 7.669 9.058 4.659) 12.750 2.090 ( 2.733 8.781 5.203) 10.566 2.105 ( 11.198 6.249 3.503) 13.293 2.217 ( 11.955 7.720 1.486) 14.309 2.321 ( 3.902 6.559 4.938) 9.090 2.385 ( -2.143 4.905 0.427) 5.370 2.507 ( -1.230 16.353 2.462) 16.583 2.573 ( 4.800 1.966 0.766) 5.243 2.642 ( -8.284 22.237 6.198) 24.526 2.710 ( -1.965 3.822 6.276) 7.607 2.713 ( 1.539 10.770 -1.316) 10.959 2.832 ( 1.360 5.589 -2.607) 6.315 2.940 ( -4.550 8.713 -3.923) 10.584 2.976 ( 0.312 6.147 -3.224) 6.948 3.034 ( -6.013 4.059 -5.253) 8.957 3.055 ( -1.417 5.019 1.309) 5.377 3.136 ( -0.353 8.277 -0.382) 8.293 3.198 ( -4.160 10.378 -5.693) 12.547 3.221 ( -1.195 5.781 2.210) 6.304 3.307 ( -1.391 10.749 -1.181) 10.902 3.350 ( -5.152 6.211 2.597) 8.478 3.556 ( 4.764 10.347 3.995) 12.072 3.599 ( 7.464 5.912 -4.372) 10.478 3.648 ( 0.273 5.434 -4.242) 6.899 3.816 ( 1.916 16.715 -0.268) 16.827 3.913 ( -1.157 5.456 1.205) 5.706 3.950 ( -5.479 12.203 -1.571) 13.468 4.060 ( -4.247 15.979 3.488) 16.898 4.248 ( 0.041 3.899 0.580) 3.942 4.469 ( -2.705 5.259 0.110) 5.916 4.519 ( 2.874 11.354 2.086) 11.897 4.651 ( -0.213 9.198 -0.552) 9.217 4.849 ( 1.421 12.297 -0.620) 12.395 4.896 ( 2.205 15.947 0.055) 16.099 4.933 ( 4.521 11.279 -0.080) 12.151 5.023 ( -0.059 -0.604 -0.987) 1.159 5.145 ( -0.921 9.667 2.047) 9.924 5.238 ( 1.881 27.667 0.996) 27.748 5.270 ( -0.830 15.349 -0.998) 15.404 5.292 ( 2.125 20.395 -0.320) 20.508 5.334 ( 3.806 13.053 -0.415) 13.602 5.510 ( 0.871 13.276 0.291) 13.308 5.553 ( -0.462 18.593 0.023) 18.598 5.642 ( -2.906 5.631 -2.246) 6.723 5.772 ( -0.801 1.150 5.196) 5.381 5.886 ( -1.258 24.490 -0.255) 24.523 5.939 ( -1.453 6.531 -2.169) 7.034 5.987 ( 1.781 21.767 -0.145) 21.840 6.035 ( -1.455 2.976 -1.013) 3.464 6.062 ( 1.460 4.733 -1.493) 5.173 6.154 ( 0.427 23.326 2.118) 23.426 6.264 ( 2.396 9.762 -2.000) 10.249 6.367 ( 1.989 2.437 -1.386) 3.438 6.385 ( 1.470 5.996 0.903) 6.239 6.470 ( 1.246 5.414 0.190) 5.559 6.483 ( 2.023 2.997 0.685) 3.680 6.523 ( -0.643 10.312 3.249) 10.831 6.610 ( 0.306 5.908 1.164) 6.029 6.683 ( -0.262 7.842 0.837) 7.891 6.750 ( -2.705 6.407 0.162) 6.957 6.842 ( -0.298 4.535 -3.869) 5.968 6.852 ( 0.188 2.740 -0.747) 2.847 6.904 ( -0.160 3.367 -1.969) 3.904 6.918 ( -0.100 9.294 -3.363) 9.884 6.973 ( 1.216 3.867 1.182) 4.222 6.988 ( -1.186 5.933 1.843) 6.324 7.100 ( -0.948 3.855 -0.163) 3.973 7.128 ( -1.796 6.160 -1.258) 6.538 7.168 ( -2.120 7.316 -1.661) 7.795 7.257 ( -4.378 2.426 1.503) 5.226 7.407 ( 0.972 -2.414 7.245) 7.699 7.503 ( -4.862 2.804 4.623) 7.272 7.574 ( -3.311 -1.132 -5.671) 6.664 7.621 ( 0.601 -3.060 -0.945) 3.259 7.722 ( -3.006 -2.535 -4.107) 5.686 7.761 ( 0.442 -4.158 1.827) 4.564 7.816 ( -0.252 -2.573 1.039) 2.786 7.889 ( 0.191 -6.057 -1.431) 6.226 7.951 ( -5.877 -1.742 1.689) 6.358 8.137 ( -1.070 -0.477 -0.700) 1.364 8.255 ( 2.361 -10.367 -0.026) 10.633 8.303 ( 1.928 -13.998 0.557) 14.141 8.366 ( 1.884 -4.937 -0.096) 5.285 8.573 ( 6.874 -6.546 0.578) 9.510 8.620 ( 7.137 -5.024 -0.713) 8.757 8.858 ( 1.502 -5.099 -1.270) 5.465 8.922 ( 2.440 -6.289 1.345) 6.879 9.334 ( 2.507 -1.762 0.948) 3.207 9.358 ( 2.587 -2.582 -0.765) 3.734 9.620 ( 0.308 11.716 0.008) 11.720 9.694 ( 1.761 12.299 0.068) 12.424 9.990 ( 4.552 4.224 4.623) 7.742 10.082 ( 11.073 2.388 -5.404) 12.551 10.554 ( -5.740 -2.248 0.788) 6.215 10.591 ( -5.459 -5.323 -0.871) 7.675 10.922 ( -5.222 2.753 4.062) 7.166 11.016 ( 0.733 -3.826 -4.767) 6.156 11.205 ( -0.419 -3.378 1.147) 3.592 11.308 ( -1.696 -3.528 -4.599) 6.039 11.736 ( 1.762 11.563 -2.836) 12.035 11.785 ( -0.741 3.663 2.216) 4.345 12.009 ( 3.005 12.534 -1.270) 12.951 12.203 ( -2.153 13.149 -0.289) 13.327 12.399 ( -2.053 -2.729 -1.642) 3.790 12.602 ( -1.288 0.039 0.042) 1.289 12.736 ( 1.918 -4.242 8.041) 9.291 12.892 ( 3.584 -8.690 -5.167) 10.727 13.141 ( 0.159 -1.646 1.145) 2.012 13.250 ( -2.212 -0.748 -0.356) 2.362 13.647 ( 0.293 25.918 -1.658) 25.972 13.808 ( -1.178 28.701 4.906) 29.141 14.069 ( 0.676 57.059 0.007) 57.063 14.171 ( 6.019 32.507 -0.081) 33.059 14.902 ( -2.296 33.508 3.219) 33.741 15.252 ( 15.477 38.810 -12.793) 43.697 18.818 ( 1.286 -4.260 5.105) 6.772 19.189 ( -0.250 -16.904 -0.231) 16.907 20.916 ( -9.941 -0.843 0.415) 9.985 21.095 ( -18.255 -9.018 -2.676) 20.536 21.543 ( 5.923 -6.367 4.945) 10.004 21.673 ( 9.158 -8.644 -2.992) 12.944 ======================= Grid point 77 (34/49) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.435 4.068 0.866) 4.181 1.753 ( 0.558 22.604 2.761) 22.779 1.907 ( -0.332 18.033 -7.903) 19.691 1.974 ( -0.104 17.006 2.392) 17.174 2.080 ( -0.626 16.978 -5.072) 17.730 2.225 ( 0.577 2.172 0.352) 2.274 2.281 ( 2.555 7.458 2.557) 8.288 2.327 ( -1.039 7.108 -0.817) 7.230 2.420 ( -3.014 5.217 1.612) 6.237 2.504 ( 1.147 7.808 4.647) 9.159 2.575 ( -0.113 2.959 2.931) 4.166 2.691 ( 2.609 3.309 4.570) 6.217 2.718 ( -0.059 1.639 -4.063) 4.382 2.742 ( -0.152 1.546 -1.300) 2.026 2.850 ( -5.585 3.384 0.261) 6.535 2.882 ( 1.401 6.579 -0.480) 6.743 2.954 ( 2.430 4.224 -4.796) 6.837 3.101 ( -0.934 11.689 -0.962) 11.766 3.151 ( 2.117 10.424 0.365) 10.643 3.179 ( -2.138 9.667 -0.255) 9.904 3.209 ( -1.798 5.225 1.622) 5.759 3.268 ( 1.876 7.602 -1.686) 8.010 3.388 ( 1.689 28.901 5.629) 29.493 3.403 ( 1.864 9.595 -0.695) 9.799 3.427 ( -1.154 9.380 3.059) 9.934 3.603 ( 1.647 21.058 -8.036) 22.599 3.690 ( -6.780 3.366 -0.331) 7.576 3.708 ( 2.929 5.897 -1.112) 6.678 3.783 ( 0.164 4.206 5.448) 6.885 3.903 ( -0.272 7.792 -3.104) 8.392 3.963 ( 1.401 2.328 -1.104) 2.933 4.126 ( -1.196 -0.871 1.598) 2.178 4.350 ( 0.431 17.641 1.339) 17.697 4.482 ( 0.262 12.935 -0.923) 12.971 4.512 ( -0.159 3.761 -0.852) 3.859 4.759 ( 1.637 6.004 0.757) 6.269 4.793 ( -1.791 11.090 2.496) 11.507 4.950 ( 0.533 7.199 -2.321) 7.582 4.994 ( -0.129 0.376 -1.312) 1.371 5.054 ( 0.224 0.930 -0.490) 1.074 5.140 ( -0.405 5.706 3.106) 6.509 5.198 ( 0.208 10.569 -2.197) 10.797 5.406 ( 1.025 2.851 -1.392) 3.334 5.465 ( 1.160 5.825 0.930) 6.011 5.504 ( -3.355 4.887 -0.306) 5.936 5.629 ( 0.676 0.958 1.792) 2.141 5.718 ( 0.682 3.517 -0.099) 3.584 5.728 ( -0.145 4.138 -0.531) 4.174 5.860 ( 0.375 -1.018 -0.275) 1.119 5.944 ( -0.743 8.673 2.390) 9.027 6.005 ( -0.742 0.469 0.371) 0.953 6.066 ( 1.202 7.473 1.400) 7.697 6.110 ( -0.161 7.212 -2.329) 7.580 6.361 ( 0.728 11.214 -0.750) 11.262 6.428 ( -0.099 13.533 0.008) 13.533 6.460 ( -0.478 4.654 0.095) 4.680 6.472 ( -1.545 13.556 -0.532) 13.654 6.487 ( 2.048 3.457 -0.330) 4.031 6.579 ( -3.047 9.901 2.511) 10.659 6.627 ( 3.229 7.994 -2.337) 8.932 6.730 ( 1.634 10.997 0.999) 11.163 6.757 ( -2.451 6.327 -0.494) 6.803 6.807 ( 0.875 6.206 1.594) 6.467 6.889 ( -1.517 2.424 -0.815) 2.974 6.892 ( -1.198 4.970 -3.117) 5.987 6.941 ( 2.366 9.274 -0.623) 9.591 6.980 ( 0.606 1.772 -0.846) 2.055 7.037 ( -1.625 8.727 -0.959) 8.928 7.099 ( -0.461 7.161 -0.059) 7.176 7.113 ( -0.071 9.601 3.509) 10.222 7.173 ( -2.063 2.981 1.392) 3.883 7.211 ( -0.122 11.897 -2.346) 12.127 7.221 ( 3.205 15.382 0.805) 15.733 7.293 ( 0.621 14.312 1.030) 14.362 7.386 ( -0.302 9.995 -0.509) 10.012 7.415 ( -0.474 1.389 3.759) 4.036 7.529 ( -0.618 2.425 -2.607) 3.613 7.630 ( 0.073 2.038 0.350) 2.069 7.680 ( 0.477 12.216 2.826) 12.548 7.710 ( 0.113 5.228 -2.033) 5.610 7.746 ( 0.173 -1.373 -0.018) 1.384 7.804 ( 0.357 13.363 -2.436) 13.588 7.868 ( 0.575 16.767 -0.187) 16.778 7.931 ( -0.854 12.695 0.943) 12.758 8.087 ( -0.323 -6.739 0.613) 6.775 8.108 ( 0.046 0.828 -1.299) 1.541 8.232 ( 0.056 0.269 0.106) 0.295 8.310 ( -0.162 -3.258 0.234) 3.271 8.522 ( 0.774 -2.866 -0.752) 3.062 8.585 ( -0.656 -3.147 1.033) 3.377 8.815 ( -0.162 1.235 -0.498) 1.342 8.856 ( 0.162 -0.703 0.580) 0.926 9.319 ( 0.260 -2.812 0.588) 2.884 9.335 ( -0.279 -2.908 -0.538) 2.971 9.784 ( 0.487 5.889 -0.682) 5.949 9.844 ( -0.413 5.224 0.789) 5.299 10.024 ( -0.673 -3.966 3.974) 5.655 10.144 ( 0.632 -8.201 -4.441) 9.347 10.561 ( 0.400 7.590 -0.440) 7.614 10.592 ( -0.157 8.093 0.378) 8.103 10.798 ( -2.188 -6.354 2.285) 7.098 10.887 ( 2.047 -9.314 -2.396) 9.833 11.147 ( 1.424 -3.907 -0.583) 4.199 11.165 ( -1.342 -3.866 -0.027) 4.093 11.826 ( 0.524 2.192 0.417) 2.292 11.853 ( -1.226 0.048 -0.439) 1.303 12.231 ( 0.460 0.420 4.277) 4.322 12.354 ( 0.067 5.996 -4.151) 7.293 12.441 ( 0.629 4.831 1.907) 5.232 12.545 ( 0.152 -3.309 -7.123) 7.856 12.789 ( -0.820 3.257 2.402) 4.129 12.818 ( 0.459 7.986 1.059) 8.069 13.054 ( -1.822 -8.270 0.687) 8.496 13.066 ( 1.343 -9.909 1.145) 10.065 14.031 ( -0.213 14.967 -0.683) 14.984 14.103 ( 0.205 8.992 1.318) 9.090 15.058 ( 0.140 46.707 -1.061) 46.720 15.152 ( 0.040 48.880 1.124) 48.893 15.805 ( 0.173 47.310 9.517) 48.258 16.133 ( -0.594 35.005 -13.578) 37.551 18.781 ( 2.606 -6.320 4.917) 8.421 18.868 ( -2.166 -10.133 -2.952) 10.774 20.821 ( -0.345 1.493 -0.059) 1.534 20.824 ( 0.118 1.272 0.063) 1.279 21.511 ( -0.574 -3.628 2.161) 4.261 21.628 ( 0.697 -6.034 -1.783) 6.331 ======================= Grid point 78 (35/49) ======================= q-point: ( 0.25 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.989 5.123 0.198) 5.221 1.821 ( 4.665 20.401 1.573) 20.987 1.934 ( 4.442 16.783 -3.229) 17.659 1.985 ( 0.971 16.583 1.057) 16.645 2.054 ( -0.362 16.557 -3.003) 16.831 2.181 ( -4.086 2.309 0.228) 4.699 2.272 ( -8.585 8.524 1.835) 12.236 2.310 ( -0.284 9.613 -3.757) 10.325 2.350 ( 1.992 7.707 3.375) 8.646 2.478 ( -7.090 4.806 -3.202) 9.144 2.550 ( -3.122 5.708 4.508) 7.915 2.590 ( -5.126 9.086 2.782) 10.797 2.671 ( -4.320 6.204 -3.024) 8.142 2.767 ( 3.122 1.344 2.122) 4.007 2.775 ( -1.426 3.419 3.069) 4.810 2.892 ( 0.277 3.877 -1.082) 4.035 2.994 ( 0.202 1.486 -1.044) 1.827 3.062 ( -1.578 10.578 -0.074) 10.695 3.166 ( 0.680 7.764 1.643) 7.965 3.197 ( 0.943 7.933 -3.795) 8.845 3.296 ( 2.935 6.701 -0.796) 7.358 3.342 ( 5.639 12.983 0.492) 14.164 3.361 ( 2.780 7.464 -1.583) 8.121 3.484 ( 1.353 10.766 2.836) 11.215 3.488 ( 3.049 9.033 1.272) 9.618 3.525 ( -2.306 12.289 -2.005) 12.663 3.654 ( 3.776 14.691 -2.121) 15.316 3.792 ( -1.057 6.189 2.470) 6.747 3.815 ( 5.196 14.438 -0.608) 15.356 3.889 ( -3.534 6.067 -0.175) 7.023 4.054 ( 6.938 3.476 -1.520) 7.907 4.098 ( -0.662 0.106 1.189) 1.365 4.364 ( 0.652 15.718 1.256) 15.781 4.461 ( -2.084 9.080 -1.579) 9.449 4.535 ( 2.666 5.695 -0.071) 6.289 4.722 ( -2.865 6.801 2.405) 7.762 4.828 ( 2.102 11.456 -0.935) 11.685 4.950 ( 0.726 4.380 -0.990) 4.549 5.010 ( 1.474 6.658 -1.596) 7.003 5.051 ( -0.739 1.191 0.029) 1.402 5.121 ( -2.430 4.581 1.635) 5.437 5.163 ( -2.325 10.256 -0.977) 10.561 5.365 ( -3.463 5.799 -1.453) 6.908 5.388 ( -4.209 5.670 0.545) 7.082 5.535 ( 1.948 2.824 1.458) 3.728 5.638 ( -0.379 1.397 0.745) 1.628 5.716 ( -0.634 3.959 0.031) 4.010 5.741 ( 1.268 2.745 -1.488) 3.370 5.864 ( -0.848 3.618 1.225) 3.912 5.924 ( 0.554 2.423 0.271) 2.500 5.990 ( -1.445 2.044 0.945) 2.675 6.091 ( 0.383 5.032 0.437) 5.065 6.102 ( 0.545 5.258 -1.622) 5.529 6.372 ( 0.592 13.284 -1.946) 13.439 6.396 ( -4.190 5.670 1.133) 7.141 6.428 ( -1.096 20.537 1.126) 20.597 6.460 ( -0.113 9.389 -1.548) 9.516 6.477 ( -1.153 3.940 -1.023) 4.231 6.550 ( 0.052 7.613 0.579) 7.635 6.627 ( -3.325 10.819 1.258) 11.388 6.734 ( -0.506 6.273 3.117) 7.023 6.755 ( 3.369 5.163 -2.772) 6.759 6.824 ( -1.569 3.600 2.691) 4.760 6.835 ( -0.314 3.155 -1.639) 3.569 6.892 ( 0.767 6.989 -2.209) 7.369 6.976 ( 0.772 4.811 -2.310) 5.392 7.034 ( 1.437 7.583 -0.618) 7.742 7.068 ( 3.205 4.422 -0.150) 5.463 7.082 ( -1.098 10.344 2.247) 10.642 7.135 ( 2.071 10.030 1.411) 10.338 7.142 ( -0.624 1.644 1.859) 2.559 7.232 ( 3.076 24.115 -0.609) 24.318 7.261 ( 0.143 7.730 -2.278) 8.060 7.334 ( 2.242 21.177 0.673) 21.306 7.382 ( -0.627 6.059 -0.523) 6.114 7.426 ( 0.455 3.538 4.757) 5.946 7.494 ( -1.187 5.397 -2.944) 6.261 7.632 ( 0.056 -0.872 1.110) 1.412 7.691 ( 0.518 8.512 0.305) 8.534 7.723 ( 0.771 4.053 -2.579) 4.865 7.744 ( -0.512 -2.220 1.591) 2.779 7.817 ( 1.291 7.477 -1.837) 7.807 7.885 ( 2.502 17.100 -1.723) 17.368 7.979 ( 2.296 2.501 2.967) 4.509 8.067 ( -0.627 2.269 -0.945) 2.536 8.094 ( -0.450 -4.112 -0.131) 4.138 8.209 ( -1.399 1.081 0.221) 1.782 8.282 ( -1.647 -3.319 0.059) 3.705 8.540 ( -2.023 3.594 0.724) 4.187 8.572 ( 0.379 0.312 -0.462) 0.675 8.756 ( -3.710 -0.932 -0.207) 3.831 8.814 ( -3.425 -1.530 0.297) 3.763 9.299 ( -1.990 -1.500 0.177) 2.498 9.312 ( -1.710 -1.524 -0.144) 2.295 9.828 ( 3.658 7.485 -0.951) 8.385 9.877 ( 3.149 7.301 0.933) 8.006 10.002 ( -2.388 0.770 2.870) 3.812 10.092 ( -4.268 -1.381 -3.192) 5.505 10.495 ( -3.069 -2.778 -0.501) 4.170 10.534 ( -3.973 -0.297 0.667) 4.039 10.854 ( 4.360 -4.775 1.062) 6.553 10.927 ( 0.966 -6.163 -1.089) 6.333 11.158 ( 0.701 -3.667 -0.388) 3.753 11.203 ( 3.087 -3.931 -0.312) 5.008 11.837 ( -0.122 -0.622 0.073) 0.638 11.852 ( 1.406 3.744 1.339) 4.217 12.222 ( -1.945 1.854 1.337) 3.001 12.334 ( -0.312 5.733 -2.716) 6.352 12.453 ( -0.400 1.748 0.983) 2.045 12.529 ( 0.401 -4.480 -5.805) 7.344 12.768 ( -1.125 6.545 1.652) 6.843 12.835 ( 0.284 7.829 1.748) 8.027 13.016 ( -1.264 -7.230 0.722) 7.375 13.102 ( 1.231 -10.765 0.995) 10.881 14.051 ( 1.846 15.454 -0.396) 15.568 14.131 ( 1.586 9.271 1.009) 9.460 15.052 ( -0.324 46.810 -1.342) 46.831 15.173 ( 1.314 48.184 1.429) 48.223 15.800 ( -2.306 48.199 7.382) 48.815 15.981 ( -8.114 40.199 -9.397) 42.073 18.801 ( -2.468 -6.184 -1.959) 6.941 18.853 ( 2.070 -10.363 2.548) 10.871 20.934 ( 10.013 0.216 -0.585) 10.032 20.961 ( 11.377 -0.764 0.666) 11.422 21.431 ( -7.137 -3.742 2.296) 8.379 21.544 ( -7.888 -6.320 -2.267) 10.358 ======================= Grid point 79 (36/49) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.328 4.214 -0.790) 4.300 1.888 ( -1.245 16.153 -0.109) 16.201 1.986 ( -1.084 17.404 0.389) 17.442 2.058 ( 4.148 12.355 0.499) 13.042 2.088 ( 4.531 14.628 -0.625) 15.327 2.106 ( -1.492 12.226 2.425) 12.553 2.144 ( -1.096 8.259 0.767) 8.367 2.281 ( -3.570 11.282 -6.388) 13.448 2.287 ( -2.493 11.990 -4.400) 13.013 2.391 ( 1.750 7.666 5.581) 9.643 2.525 ( 1.147 5.139 -1.118) 5.383 2.566 ( -2.708 9.351 -2.278) 9.998 2.609 ( 2.127 6.838 2.598) 7.618 2.746 ( -0.956 2.569 5.032) 5.730 2.854 ( 1.588 1.461 1.690) 2.741 2.891 ( 0.016 0.517 -0.286) 0.591 2.957 ( -1.668 6.111 6.557) 9.117 3.097 ( 3.736 6.105 -3.693) 8.054 3.143 ( -2.236 6.774 -2.295) 7.493 3.219 ( 1.933 5.633 -3.538) 6.927 3.300 ( -1.992 9.345 -2.512) 9.880 3.311 ( -1.691 7.791 -2.126) 8.251 3.454 ( -1.732 9.713 4.056) 10.667 3.511 ( 2.737 7.637 1.020) 8.177 3.522 ( -0.435 8.757 -0.164) 8.770 3.561 ( 0.077 5.236 -2.278) 5.711 3.731 ( 1.325 13.875 1.849) 14.060 3.765 ( -1.775 21.121 0.900) 21.215 3.820 ( -1.406 -0.669 1.385) 2.084 3.876 ( 2.943 16.971 -1.602) 17.299 4.092 ( -0.690 1.279 1.046) 1.790 4.140 ( 0.525 0.864 -2.546) 2.739 4.385 ( -0.130 14.316 1.469) 14.391 4.423 ( -0.073 9.515 -1.056) 9.573 4.585 ( 0.733 3.165 -0.353) 3.268 4.678 ( -1.596 9.853 2.852) 10.381 4.851 ( 0.568 11.810 -2.325) 12.050 4.974 ( -0.636 4.422 0.227) 4.473 5.019 ( -0.314 0.300 0.196) 0.477 5.034 ( 1.317 12.358 -1.797) 12.558 5.078 ( 0.299 8.897 -0.502) 8.917 5.137 ( -0.491 4.460 1.576) 4.755 5.317 ( -0.017 6.031 -1.112) 6.133 5.337 ( 0.163 6.622 -0.032) 6.624 5.568 ( 1.137 1.737 0.666) 2.181 5.621 ( -1.045 1.847 0.265) 2.139 5.704 ( -0.645 3.779 1.716) 4.200 5.751 ( 0.003 3.536 -2.020) 4.072 5.852 ( -0.385 2.756 2.271) 3.592 5.941 ( 0.041 0.383 -1.252) 1.310 5.983 ( 1.079 1.618 -0.965) 2.171 6.080 ( -1.226 2.054 0.690) 2.489 6.118 ( 0.675 4.774 -0.088) 4.823 6.335 ( -0.153 10.376 0.206) 10.379 6.378 ( -1.761 17.260 -0.146) 17.351 6.401 ( 1.861 11.331 -1.113) 11.537 6.455 ( -0.427 8.933 0.605) 8.964 6.477 ( 0.323 10.267 -1.397) 10.366 6.560 ( 0.389 8.374 -0.288) 8.388 6.587 ( 0.550 9.121 0.671) 9.162 6.717 ( -2.439 5.113 5.369) 7.805 6.786 ( -0.777 4.416 -0.577) 4.521 6.823 ( 0.042 2.916 -1.908) 3.485 6.849 ( 3.483 5.766 -1.285) 6.858 6.902 ( 0.536 6.434 -2.261) 6.841 6.997 ( 1.524 3.979 0.168) 4.264 7.001 ( -2.234 4.854 -0.066) 5.344 7.079 ( -0.276 8.368 2.465) 8.728 7.115 ( -0.550 12.715 -0.205) 12.729 7.139 ( 1.028 0.583 1.212) 1.693 7.168 ( -0.166 7.614 -2.719) 8.086 7.234 ( -1.606 -0.163 -0.393) 1.662 7.306 ( 2.240 35.497 1.779) 35.612 7.334 ( -1.775 22.602 1.615) 22.729 7.383 ( 0.359 9.922 -1.502) 10.041 7.434 ( -1.294 9.246 2.237) 9.601 7.491 ( 1.965 -1.062 -2.050) 3.032 7.633 ( 0.029 0.037 0.094) 0.105 7.674 ( -2.719 0.943 1.314) 3.164 7.731 ( 1.005 3.901 -2.989) 5.016 7.756 ( 1.344 0.312 0.699) 1.547 7.839 ( -0.348 2.539 -0.504) 2.612 7.907 ( -0.597 11.512 -0.739) 11.551 8.007 ( 0.798 -6.371 1.956) 6.712 8.056 ( -0.149 -3.013 -1.013) 3.182 8.119 ( -0.212 5.767 0.931) 5.845 8.192 ( 0.065 -1.098 0.183) 1.115 8.263 ( -0.147 -2.001 -0.300) 2.029 8.497 ( 1.676 13.086 -0.841) 13.219 8.560 ( -1.515 6.764 0.931) 6.994 8.719 ( 0.582 -4.409 -0.730) 4.507 8.769 ( -0.503 -3.370 0.617) 3.462 9.269 ( -0.155 -0.626 0.139) 0.660 9.287 ( 0.160 -0.262 -0.131) 0.334 9.890 ( -0.398 12.676 -0.078) 12.683 9.949 ( 0.625 6.757 -0.032) 6.786 9.962 ( -0.459 7.405 1.203) 7.516 10.000 ( 0.349 0.877 -1.283) 1.592 10.471 ( 0.588 -8.439 -0.074) 8.460 10.485 ( -0.550 -7.973 0.037) 7.992 10.912 ( 0.817 -5.046 -0.051) 5.112 10.924 ( -0.804 -5.243 0.183) 5.307 11.165 ( -0.463 -3.226 -0.210) 3.266 11.242 ( 0.314 -4.149 -0.245) 4.168 11.837 ( -0.251 -0.623 1.022) 1.223 11.883 ( 0.852 4.251 0.986) 4.446 12.184 ( -1.019 3.514 -0.595) 3.707 12.332 ( 0.683 2.240 -2.957) 3.772 12.432 ( -1.274 0.921 2.218) 2.719 12.539 ( 1.814 -3.598 -5.557) 6.864 12.758 ( -0.271 6.296 1.594) 6.500 12.839 ( -0.353 10.423 2.129) 10.644 13.007 ( 0.225 -6.967 0.148) 6.972 13.117 ( -0.226 -11.483 1.153) 11.543 14.079 ( 0.365 15.418 -0.662) 15.437 14.150 ( -0.525 10.211 1.365) 10.315 15.045 ( 0.220 46.805 -1.673) 46.835 15.191 ( -0.621 48.379 2.240) 48.435 15.770 ( -2.885 46.939 3.799) 47.181 15.882 ( 3.985 45.008 -5.669) 45.538 18.753 ( -1.542 -4.080 -0.804) 4.435 18.890 ( 1.016 -11.468 1.193) 11.575 21.090 ( -1.998 0.262 -0.122) 2.019 21.212 ( 6.185 -3.379 2.382) 7.439 21.315 ( -6.231 -5.768 -0.730) 8.522 21.337 ( 2.104 -5.126 -1.658) 5.784 ======================= Grid point 80 (37/49) ======================= q-point: (-0.25 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 1.075 3.849 -0.196) 4.001 1.795 ( -4.935 20.559 2.063) 21.243 1.967 ( -0.580 18.364 0.973) 18.399 1.985 ( -4.274 15.657 -6.046) 17.319 2.113 ( -1.003 14.824 -6.038) 16.038 2.169 ( 3.474 5.327 1.227) 6.477 2.231 ( 3.219 8.064 2.091) 8.931 2.271 ( 4.639 9.630 1.437) 10.785 2.390 ( 8.029 6.302 4.601) 11.196 2.467 ( -0.821 9.609 -2.771) 10.034 2.498 ( 4.909 7.427 3.177) 9.452 2.616 ( 1.954 3.448 1.256) 4.157 2.661 ( 4.256 5.145 -2.350) 7.079 2.750 ( -0.968 1.750 4.402) 4.835 2.856 ( 1.055 6.111 -1.249) 6.326 2.888 ( -0.383 0.443 0.410) 0.715 2.978 ( -0.082 2.935 -3.088) 4.261 3.086 ( -1.341 5.812 2.316) 6.399 3.160 ( 2.574 10.035 -3.304) 10.874 3.222 ( 0.378 9.604 -3.037) 10.080 3.249 ( -3.807 7.716 2.359) 8.922 3.310 ( 0.441 11.211 2.088) 11.412 3.371 ( -7.600 10.396 -1.150) 12.929 3.423 ( -3.921 15.733 2.353) 16.384 3.493 ( -2.636 8.319 1.491) 8.853 3.564 ( 0.591 10.520 -1.837) 10.696 3.680 ( -0.865 10.071 -2.725) 10.469 3.774 ( -0.958 8.536 2.373) 8.911 3.841 ( -1.770 9.632 -0.684) 9.817 3.913 ( 2.222 10.155 -1.766) 10.544 4.015 ( -6.786 0.782 0.450) 6.846 4.129 ( 0.110 -0.684 -0.395) 0.797 4.351 ( -1.497 16.903 1.831) 17.068 4.459 ( 2.165 11.765 -1.246) 12.027 4.549 ( -2.742 3.632 -1.002) 4.660 4.696 ( 2.324 8.162 3.339) 9.119 4.838 ( -1.500 11.352 -0.512) 11.462 4.947 ( -0.335 4.617 -1.322) 4.814 5.012 ( -0.714 2.707 -1.151) 3.027 5.051 ( 0.270 1.411 -0.375) 1.485 5.123 ( 1.441 11.944 1.573) 12.133 5.164 ( 3.051 5.604 -1.141) 6.482 5.352 ( 3.058 5.648 -0.360) 6.433 5.395 ( 4.140 6.139 -0.043) 7.404 5.576 ( -1.336 2.176 -1.630) 3.029 5.610 ( 0.162 2.260 2.573) 3.428 5.705 ( 0.328 3.199 1.361) 3.492 5.738 ( -0.494 5.249 -1.587) 5.506 5.854 ( 0.084 1.533 1.747) 2.326 5.934 ( -0.135 3.128 -0.120) 3.134 6.009 ( 1.660 3.483 -1.036) 3.995 6.055 ( -1.284 1.890 2.160) 3.144 6.118 ( -0.264 5.774 -1.523) 5.978 6.354 ( -0.055 14.506 -0.423) 14.512 6.397 ( 4.308 4.822 1.121) 6.562 6.441 ( -0.395 12.767 0.156) 12.774 6.459 ( 2.117 7.592 -0.426) 7.893 6.477 ( 0.611 15.617 -2.267) 15.792 6.567 ( 1.200 8.076 -0.948) 8.219 6.639 ( 0.533 7.498 1.137) 7.603 6.669 ( -0.307 7.443 3.210) 8.111 6.787 ( 0.483 5.534 -1.529) 5.761 6.800 ( -1.280 5.257 1.704) 5.673 6.895 ( 0.018 3.763 -1.770) 4.159 6.912 ( 1.922 4.546 -4.874) 6.937 6.955 ( -2.092 7.369 -0.099) 7.661 7.015 ( -2.547 3.353 1.883) 4.612 7.074 ( 0.695 5.079 -0.814) 5.191 7.091 ( -1.231 8.282 -0.127) 8.374 7.117 ( -0.291 10.379 2.474) 10.674 7.187 ( 0.811 5.281 -0.453) 5.362 7.199 ( -1.998 3.232 1.534) 4.098 7.264 ( -4.275 27.339 -2.678) 27.800 7.309 ( -1.938 20.710 2.806) 20.989 7.392 ( 0.540 5.982 -0.496) 6.026 7.416 ( -0.600 5.172 3.090) 6.054 7.525 ( 1.447 1.606 -3.728) 4.310 7.630 ( -0.933 0.184 1.030) 1.402 7.651 ( 1.284 8.032 2.441) 8.493 7.726 ( -0.658 5.192 -0.821) 5.298 7.771 ( -2.126 -2.354 -0.772) 3.265 7.801 ( 0.314 9.602 -1.415) 9.711 7.879 ( -1.807 12.715 -0.526) 12.853 7.987 ( -3.129 8.346 1.562) 9.049 8.084 ( 2.222 -2.846 -1.678) 3.982 8.089 ( -0.447 -1.681 0.229) 1.755 8.207 ( 1.138 1.041 0.321) 1.576 8.282 ( 1.940 -3.139 0.084) 3.691 8.535 ( -0.997 2.782 0.827) 3.069 8.578 ( 2.248 1.144 -0.626) 2.599 8.762 ( 3.701 -1.214 -0.748) 3.966 8.806 ( 3.413 -1.260 0.933) 3.756 9.294 ( 1.763 -1.804 0.314) 2.542 9.316 ( 1.938 -1.190 -0.291) 2.293 9.818 ( -3.546 8.027 -0.169) 8.777 9.885 ( -3.297 6.634 0.248) 7.412 10.005 ( 1.680 -0.482 2.786) 3.289 10.092 ( 5.037 -0.220 -3.289) 6.020 10.494 ( 2.675 -2.920 -0.456) 3.986 10.535 ( 4.241 -0.014 0.575) 4.280 10.881 ( -3.698 -4.649 0.377) 5.953 10.900 ( -1.662 -6.093 -0.443) 6.331 11.141 ( -1.022 -2.908 0.459) 3.116 11.216 ( -2.411 -4.730 -0.897) 5.384 11.828 ( -0.643 0.639 0.570) 1.071 11.882 ( -1.029 1.906 -0.321) 2.190 12.194 ( 1.494 2.208 2.404) 3.590 12.344 ( 1.428 2.844 -4.073) 5.169 12.428 ( -0.066 3.569 3.340) 4.888 12.555 ( 1.077 -2.438 -7.257) 7.731 12.770 ( 0.984 3.138 1.957) 3.827 12.830 ( -1.110 10.480 1.992) 10.725 13.025 ( 1.426 -7.578 0.115) 7.712 13.099 ( -1.750 -10.957 1.275) 11.169 14.059 ( -1.614 14.869 -1.114) 14.998 14.122 ( -2.009 9.953 1.843) 10.320 15.052 ( 0.696 46.567 -1.379) 46.593 15.167 ( -1.626 49.259 1.826) 49.319 15.760 ( 0.894 47.319 6.272) 47.741 16.046 ( 10.375 39.086 -9.691) 41.584 18.739 ( 0.192 -3.630 2.293) 4.297 18.900 ( -0.308 -11.763 -0.766) 11.792 20.917 ( -8.886 1.028 0.438) 8.956 20.987 ( -12.931 -2.346 -0.917) 13.174 21.439 ( 6.547 -3.825 2.399) 7.953 21.528 ( 8.893 -5.616 -1.884) 10.685 ======================= Grid point 81 (38/49) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.101 -2.216 0.188) 2.227 2.139 ( -0.341 5.781 -0.240) 5.796 2.158 ( 1.221 3.374 0.286) 3.599 2.210 ( -1.266 11.674 -2.682) 12.044 2.255 ( 0.213 9.579 0.283) 9.586 2.394 ( -0.795 13.688 3.393) 14.125 2.460 ( 2.026 10.548 -1.497) 10.845 2.491 ( 0.470 6.977 -1.124) 7.082 2.521 ( -2.070 6.271 -1.862) 6.861 2.609 ( -1.114 4.445 1.438) 4.803 2.679 ( -0.912 5.426 5.372) 7.689 2.721 ( 1.151 0.805 0.269) 1.430 2.744 ( 2.087 1.906 -0.941) 2.979 2.803 ( -0.058 3.853 -0.527) 3.890 2.909 ( -0.199 3.746 -0.430) 3.776 2.968 ( 0.356 0.414 0.649) 0.848 3.001 ( -0.711 0.385 -0.869) 1.187 3.222 ( -0.474 -0.271 0.465) 0.717 3.270 ( 1.047 1.538 -0.554) 1.941 3.318 ( 0.414 -0.520 -2.503) 2.589 3.330 ( 0.224 8.695 -3.815) 9.498 3.381 ( -0.380 10.072 -1.853) 10.248 3.572 ( 0.276 7.144 2.786) 7.673 3.594 ( -0.275 8.597 1.105) 8.672 3.674 ( -0.474 3.692 -0.821) 3.812 3.801 ( -1.795 -0.078 6.469) 6.714 3.924 ( -3.816 11.673 1.032) 12.324 3.940 ( 3.642 14.990 -1.331) 15.484 4.001 ( 2.219 4.434 -3.769) 6.228 4.059 ( -2.085 17.890 1.492) 18.073 4.151 ( -0.271 10.722 1.483) 10.827 4.192 ( 2.134 15.421 -1.074) 15.605 4.541 ( -0.620 3.199 0.244) 3.268 4.607 ( 0.680 3.394 0.174) 3.466 4.626 ( -0.617 7.702 -1.456) 7.863 4.859 ( 0.094 3.322 0.195) 3.329 5.022 ( 0.039 10.399 0.477) 10.410 5.072 ( 1.044 3.197 -0.433) 3.391 5.126 ( -1.691 12.250 0.018) 12.366 5.153 ( 1.585 10.321 -0.762) 10.469 5.286 ( -2.243 8.953 3.048) 9.720 5.405 ( 2.049 5.002 -3.156) 6.260 5.516 ( 0.451 8.330 -0.954) 8.397 5.548 ( -1.101 1.672 -0.201) 2.012 5.595 ( -1.148 4.671 0.998) 4.912 5.611 ( 1.299 0.652 -1.119) 1.834 5.772 ( -1.026 -0.690 0.902) 1.531 5.802 ( 0.413 4.825 1.030) 4.951 5.842 ( 0.469 3.105 -1.000) 3.296 6.013 ( -0.023 0.706 0.324) 0.778 6.102 ( -0.502 7.669 1.432) 7.817 6.199 ( 0.253 7.078 0.633) 7.111 6.234 ( 0.375 7.138 -0.884) 7.203 6.408 ( 0.134 -3.995 -0.492) 4.028 6.440 ( 0.643 4.164 1.065) 4.346 6.529 ( -0.968 0.567 -0.074) 1.125 6.577 ( -0.924 3.743 -0.264) 3.865 6.605 ( 1.830 0.741 -2.150) 2.919 6.677 ( -0.163 4.647 0.037) 4.650 6.779 ( -1.045 1.748 -1.691) 2.647 6.834 ( 0.201 0.497 -0.285) 0.608 6.868 ( -0.911 1.941 -0.386) 2.179 6.914 ( 0.650 2.053 -0.132) 2.157 6.969 ( 1.007 4.958 -0.207) 5.064 6.989 ( -2.135 3.533 1.456) 4.377 7.037 ( 2.884 3.751 -1.214) 4.885 7.078 ( 0.464 5.800 0.089) 5.819 7.116 ( -0.857 3.773 1.050) 4.009 7.168 ( -2.839 0.645 5.223) 5.979 7.224 ( 1.707 5.099 3.597) 6.469 7.282 ( 2.887 4.355 -1.942) 5.575 7.312 ( -2.948 5.314 -1.144) 6.184 7.396 ( -1.038 -0.206 0.029) 1.059 7.418 ( -1.106 0.516 -1.778) 2.157 7.510 ( 1.370 6.308 -0.024) 6.455 7.556 ( 1.573 9.237 -0.445) 9.381 7.605 ( 0.261 2.129 -1.092) 2.406 7.673 ( -1.189 3.079 -0.174) 3.305 7.681 ( 0.802 -2.090 -0.356) 2.267 7.769 ( -0.381 2.188 0.223) 2.233 7.828 ( 0.531 6.287 -0.607) 6.339 7.942 ( -0.701 0.618 0.925) 1.315 7.996 ( 0.168 -2.333 0.286) 2.356 8.161 ( 0.162 4.451 -0.282) 4.463 8.236 ( 0.943 4.068 -0.288) 4.186 8.252 ( -0.139 0.440 0.411) 0.618 8.289 ( -1.313 2.476 -1.788) 3.324 8.392 ( -0.014 12.351 1.125) 12.402 8.501 ( 0.521 -1.195 0.684) 1.472 8.524 ( -0.226 -3.648 -0.085) 3.656 9.211 ( 0.096 33.971 -0.171) 33.972 9.228 ( -0.193 32.824 0.102) 32.825 9.273 ( 0.487 -0.709 0.333) 0.922 9.289 ( -0.389 -0.327 -0.373) 0.630 9.920 ( 0.080 9.210 0.098) 9.211 9.961 ( -0.038 7.315 -0.144) 7.317 10.017 ( -0.001 6.352 1.906) 6.632 10.063 ( -0.025 2.715 -1.999) 3.371 10.617 ( 1.371 -4.792 0.539) 5.013 10.665 ( -1.941 -7.263 -1.209) 7.614 10.742 ( -0.667 5.995 0.086) 6.032 10.779 ( 1.151 2.688 0.492) 2.965 11.106 ( 0.421 0.408 -0.217) 0.625 11.126 ( -0.375 0.512 0.407) 0.753 11.804 ( -0.558 -3.302 0.586) 3.399 11.831 ( 0.287 -1.076 -0.753) 1.344 12.107 ( 0.088 -8.841 5.596) 10.463 12.256 ( 0.503 -11.821 -6.999) 13.746 12.596 ( -0.023 11.514 -0.630) 11.531 12.644 ( -0.133 10.258 0.689) 10.282 12.869 ( -0.105 -8.474 0.451) 8.487 12.900 ( 0.088 -7.236 0.001) 7.237 13.006 ( 0.141 15.692 0.378) 15.697 13.072 ( -0.275 14.734 0.666) 14.752 14.242 ( -0.101 6.995 0.060) 6.996 14.246 ( 0.112 5.492 -0.001) 5.493 15.846 ( 0.074 31.396 -0.565) 31.401 15.934 ( -0.187 29.324 1.159) 29.347 16.635 ( 0.785 35.214 3.488) 35.395 16.763 ( -0.726 28.157 -4.795) 28.572 18.686 ( 0.577 -3.520 1.039) 3.715 18.722 ( -0.516 -4.922 -0.579) 4.983 20.869 ( 0.160 3.182 0.121) 3.189 20.872 ( -0.188 3.289 -0.162) 3.298 21.469 ( -0.288 -0.663 1.165) 1.371 21.544 ( 0.311 -2.563 -1.077) 2.797 ======================= Grid point 82 (39/49) ======================= q-point: ( 0.25 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.412 -1.612 0.314) 1.694 2.131 ( -0.424 -3.288 0.234) 3.324 2.176 ( 0.355 11.550 -2.236) 11.770 2.225 ( 3.161 11.855 0.847) 12.298 2.261 ( 0.225 8.887 0.090) 8.891 2.376 ( -1.424 14.839 1.542) 14.986 2.425 ( -4.349 7.482 0.896) 8.700 2.472 ( -1.140 6.991 -0.383) 7.094 2.501 ( 1.481 8.332 -1.734) 8.639 2.602 ( -4.301 6.344 -0.452) 7.678 2.658 ( 0.109 6.478 2.454) 6.928 2.727 ( 3.037 1.791 -0.868) 3.631 2.780 ( 1.152 2.842 -1.510) 3.418 2.820 ( -1.337 6.704 1.323) 6.963 2.859 ( -3.035 5.495 0.845) 6.334 2.950 ( -0.713 0.953 -0.840) 1.457 3.009 ( 0.096 0.361 2.488) 2.516 3.220 ( 0.287 2.256 -1.794) 2.896 3.264 ( -0.462 2.638 1.476) 3.058 3.297 ( -0.967 0.680 -6.972) 7.071 3.371 ( 3.464 4.177 -0.561) 5.455 3.481 ( 5.808 7.544 -0.499) 9.534 3.541 ( -2.906 3.789 2.068) 5.204 3.582 ( -1.514 10.330 -1.176) 10.507 3.642 ( 2.623 6.042 0.529) 6.608 3.744 ( -2.293 4.936 3.091) 6.259 3.864 ( -2.266 6.877 3.085) 7.870 3.979 ( -1.895 1.797 -1.373) 2.950 4.027 ( -3.200 11.901 2.678) 12.611 4.089 ( 4.456 5.471 -1.718) 7.262 4.168 ( 2.121 15.311 2.362) 15.636 4.288 ( 6.157 19.388 -4.265) 20.784 4.537 ( -0.185 4.408 0.378) 4.428 4.612 ( 0.515 3.554 -1.157) 3.773 4.613 ( 0.078 7.423 1.248) 7.528 4.860 ( 0.299 4.222 0.061) 4.233 5.040 ( 0.996 7.158 -0.186) 7.230 5.076 ( -0.381 3.851 -1.298) 4.081 5.100 ( -0.482 12.610 0.756) 12.642 5.196 ( 1.946 10.462 -0.029) 10.642 5.285 ( 1.915 10.345 1.221) 10.591 5.409 ( -1.350 7.236 -1.160) 7.451 5.487 ( -3.241 6.936 -0.533) 7.675 5.509 ( -1.856 8.597 -0.908) 8.842 5.599 ( 1.320 1.401 0.234) 1.939 5.632 ( 0.382 2.483 -0.464) 2.555 5.745 ( -0.967 -0.768 0.912) 1.536 5.807 ( -0.357 1.899 0.828) 2.102 5.851 ( 0.700 0.488 -1.462) 1.692 6.025 ( 0.424 1.864 1.265) 2.292 6.045 ( -4.452 8.914 2.475) 10.267 6.172 ( -2.083 4.629 -1.749) 5.369 6.200 ( -2.600 5.607 -0.074) 6.181 6.383 ( -1.532 -2.585 -1.194) 3.234 6.448 ( 0.081 3.970 -0.496) 4.001 6.543 ( 2.503 0.207 -0.431) 2.548 6.573 ( -0.493 5.921 0.593) 5.971 6.634 ( 1.722 0.507 -0.023) 1.795 6.680 ( 0.328 4.422 -0.345) 4.447 6.762 ( -2.491 1.203 -0.046) 2.767 6.812 ( -0.380 0.525 -0.264) 0.699 6.849 ( 0.189 3.801 -0.470) 3.835 6.919 ( -2.187 5.163 -0.256) 5.613 6.936 ( -0.934 4.118 1.744) 4.569 6.989 ( 0.275 3.719 -1.169) 3.908 7.068 ( 2.090 3.093 -0.748) 3.808 7.088 ( -0.568 3.974 0.126) 4.017 7.117 ( -1.604 1.362 -0.193) 2.113 7.161 ( 2.332 1.637 4.249) 5.116 7.221 ( -1.224 5.350 -0.360) 5.500 7.258 ( -0.035 4.417 2.645) 5.148 7.329 ( -4.395 -0.073 -0.497) 4.423 7.410 ( 5.106 4.053 -1.304) 6.649 7.434 ( 1.738 1.044 0.902) 2.219 7.521 ( 0.603 3.060 -1.627) 3.518 7.607 ( 0.096 0.129 -0.493) 0.519 7.636 ( 0.342 2.706 -1.353) 3.045 7.656 ( 2.528 4.149 -1.514) 5.089 7.727 ( 4.154 3.509 0.778) 5.493 7.784 ( 0.946 3.032 0.731) 3.259 7.838 ( 1.588 7.146 -1.156) 7.411 7.880 ( -2.296 -2.083 1.550) 3.467 7.954 ( -4.432 0.317 -0.171) 4.446 8.100 ( -1.294 2.849 -0.902) 3.257 8.201 ( -3.248 0.530 0.790) 3.384 8.262 ( 0.314 1.270 0.284) 1.339 8.363 ( 2.491 12.416 -0.545) 12.675 8.392 ( -0.627 11.345 0.606) 11.378 8.489 ( -0.645 -3.843 -0.226) 3.903 8.511 ( -0.770 -6.617 0.235) 6.665 9.151 ( -2.898 31.212 -0.214) 31.347 9.157 ( -3.302 25.161 0.096) 25.377 9.331 ( 1.641 6.595 0.514) 6.816 9.336 ( 2.276 10.271 -0.482) 10.532 9.950 ( 1.871 5.643 0.225) 5.950 9.979 ( 1.258 4.441 -0.192) 4.620 10.077 ( 5.470 8.939 1.632) 10.606 10.106 ( 5.285 5.073 -1.700) 7.521 10.473 ( -9.928 0.026 -0.174) 9.930 10.525 ( -9.233 -0.673 0.002) 9.258 10.798 ( 2.896 -0.279 0.226) 2.919 10.836 ( 1.414 -2.188 -0.091) 2.607 11.117 ( 0.850 0.149 -0.572) 1.035 11.152 ( 1.928 -0.769 0.781) 2.218 11.793 ( -0.335 -2.953 1.406) 3.288 11.861 ( 2.037 -1.421 -1.033) 2.690 12.110 ( -1.231 -8.680 4.482) 9.846 12.229 ( -0.738 -11.675 -6.488) 13.377 12.590 ( -0.257 12.091 -0.502) 12.104 12.636 ( -0.668 10.589 0.626) 10.629 12.871 ( 0.159 -7.455 0.330) 7.464 12.901 ( -0.078 -8.367 0.166) 8.369 13.010 ( 0.195 15.723 -0.100) 15.724 13.079 ( 0.524 14.498 1.011) 14.542 14.264 ( 1.710 6.861 0.161) 7.073 14.273 ( 1.866 5.303 -0.103) 5.623 15.831 ( -0.982 30.929 -0.771) 30.954 15.944 ( 0.511 29.015 1.344) 29.051 16.648 ( -0.540 35.844 3.486) 36.017 16.699 ( -3.052 31.365 -4.433) 31.823 18.700 ( 0.013 -4.541 -1.021) 4.654 18.709 ( -0.201 -4.215 1.233) 4.396 20.960 ( 7.870 2.155 0.357) 8.168 20.976 ( 9.301 1.928 -0.391) 9.506 21.392 ( -7.016 -0.332 1.301) 7.143 21.461 ( -7.597 -2.286 -1.266) 8.034 ======================= Grid point 83 (40/49) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.023 -1.028 0.288) 1.068 2.127 ( 0.142 -2.634 0.288) 2.653 2.175 ( -0.192 10.381 -1.670) 10.516 2.261 ( -0.353 8.717 0.424) 8.735 2.296 ( 1.521 8.854 -0.061) 8.984 2.334 ( -0.469 10.025 1.154) 10.102 2.416 ( 2.738 14.592 2.475) 15.051 2.440 ( -1.735 7.844 0.761) 8.069 2.493 ( -3.867 9.388 -3.603) 10.774 2.547 ( 3.298 7.287 0.293) 8.004 2.660 ( -0.456 7.187 -3.938) 8.208 2.761 ( -2.813 3.458 2.128) 4.940 2.786 ( 0.487 8.405 -0.559) 8.438 2.801 ( -0.095 8.562 2.300) 8.866 2.833 ( 2.051 -0.231 1.030) 2.307 2.939 ( -0.344 1.662 -1.625) 2.350 3.014 ( -0.210 1.136 5.296) 5.421 3.194 ( -1.607 2.446 -2.336) 3.745 3.278 ( 0.922 2.386 -6.052) 6.570 3.288 ( 1.983 1.931 -0.535) 2.819 3.419 ( -3.411 3.582 1.754) 5.248 3.452 ( 3.953 5.657 -1.044) 6.980 3.526 ( -1.563 7.882 -0.918) 8.088 3.670 ( 1.377 6.707 1.358) 6.980 3.694 ( -3.457 6.306 -1.078) 7.272 3.711 ( 2.756 8.178 -0.604) 8.652 3.855 ( 0.717 1.975 5.136) 5.549 3.914 ( -0.007 -0.607 -0.385) 0.719 3.992 ( -1.132 8.253 4.002) 9.241 4.115 ( 0.195 0.202 -1.702) 1.725 4.214 ( 0.037 19.853 1.608) 19.918 4.330 ( -1.363 17.363 -4.215) 17.919 4.537 ( 0.624 6.021 -0.536) 6.077 4.620 ( -0.659 4.241 1.163) 4.446 4.638 ( 1.017 7.409 0.173) 7.480 4.871 ( 0.095 5.993 -0.317) 6.002 5.043 ( -0.338 2.439 0.396) 2.493 5.061 ( -0.558 6.970 -1.144) 7.085 5.107 ( 0.350 12.032 0.554) 12.049 5.215 ( -0.356 10.542 0.427) 10.557 5.356 ( -2.214 10.061 0.338) 10.307 5.363 ( 4.111 13.061 -0.974) 13.727 5.445 ( -1.033 8.651 -1.509) 8.842 5.461 ( 0.143 7.950 -0.155) 7.952 5.624 ( 0.361 3.430 0.393) 3.471 5.633 ( 0.032 -0.363 -0.735) 0.821 5.737 ( 0.165 1.137 0.747) 1.370 5.800 ( -0.427 -4.053 0.721) 4.139 5.851 ( -0.441 1.060 -1.262) 1.706 5.982 ( -0.278 8.193 3.736) 9.009 6.056 ( 1.963 4.900 -1.215) 5.417 6.119 ( -3.003 2.337 0.807) 3.889 6.172 ( 1.149 3.178 -1.313) 3.625 6.362 ( 0.171 -0.365 -1.701) 1.748 6.445 ( -0.387 2.982 -0.571) 3.061 6.558 ( -0.162 6.743 1.141) 6.841 6.619 ( 3.923 1.709 -0.218) 4.285 6.629 ( -4.267 2.759 -0.882) 5.158 6.691 ( 2.213 3.408 -0.799) 4.142 6.703 ( -1.132 0.034 0.975) 1.495 6.831 ( 0.972 1.708 0.708) 2.089 6.855 ( -0.563 4.981 1.550) 5.247 6.897 ( 0.690 2.260 -1.336) 2.714 6.939 ( 0.663 4.294 -0.886) 4.435 6.977 ( -0.275 3.618 0.081) 3.630 7.064 ( -1.154 3.224 0.350) 3.442 7.088 ( -0.710 3.962 -0.851) 4.115 7.113 ( 0.448 0.357 0.059) 0.576 7.184 ( 0.056 1.161 3.692) 3.871 7.234 ( -0.966 2.712 -0.748) 2.975 7.243 ( -0.651 4.428 2.755) 5.255 7.272 ( 0.632 3.723 -0.817) 3.863 7.448 ( 0.327 1.736 0.412) 1.814 7.470 ( 1.352 4.316 -3.278) 5.586 7.555 ( -1.799 -0.490 -0.046) 1.865 7.570 ( 1.109 -1.937 1.714) 2.815 7.613 ( -0.784 -2.185 -1.374) 2.697 7.685 ( 0.594 3.767 -2.789) 4.725 7.778 ( -0.038 1.776 1.124) 2.102 7.823 ( 0.486 8.477 1.364) 8.600 7.867 ( -1.770 1.411 1.349) 2.635 7.896 ( -0.423 8.037 -1.364) 8.162 7.901 ( 1.518 -1.205 -0.684) 2.055 8.085 ( 0.261 2.908 -0.487) 2.960 8.149 ( 0.134 -0.826 1.170) 1.438 8.258 ( -0.156 0.705 -0.110) 0.730 8.346 ( 0.133 15.573 -0.399) 15.579 8.396 ( 0.105 13.454 0.364) 13.460 8.497 ( 0.266 -7.127 -0.015) 7.132 8.498 ( -0.523 -8.116 0.007) 8.133 9.117 ( -0.201 30.679 0.181) 30.680 9.124 ( 0.221 29.296 -0.320) 29.299 9.341 ( -0.245 10.737 0.332) 10.745 9.357 ( 0.242 9.739 -0.258) 9.746 9.970 ( -0.080 2.780 0.307) 2.798 9.995 ( 0.055 2.432 -0.241) 2.445 10.198 ( -0.563 15.826 0.855) 15.859 10.229 ( -0.212 11.296 -0.448) 11.307 10.325 ( 4.254 -4.889 0.553) 6.504 10.348 ( -3.362 -2.351 -1.268) 4.294 10.829 ( 0.290 -2.755 -0.039) 2.771 10.843 ( -0.273 -2.558 0.184) 2.579 11.128 ( -0.044 -0.108 -0.509) 0.522 11.178 ( -0.060 -1.864 0.854) 2.051 11.797 ( 0.129 -2.805 1.963) 3.426 11.885 ( 0.101 -2.091 -1.504) 2.578 12.089 ( -1.371 -8.092 3.078) 8.766 12.215 ( 1.239 -11.208 -5.051) 12.355 12.587 ( 0.198 12.380 -0.609) 12.397 12.628 ( -0.058 10.815 0.539) 10.828 12.875 ( 0.052 -6.210 0.146) 6.212 12.898 ( -0.172 -9.609 0.463) 9.622 13.011 ( -0.123 15.809 -0.181) 15.811 13.089 ( 0.012 14.125 0.982) 14.159 14.288 ( 0.066 6.678 0.198) 6.682 14.296 ( -0.096 5.211 -0.112) 5.213 15.817 ( 0.087 30.650 -0.894) 30.663 15.953 ( -0.108 28.540 1.376) 28.574 16.614 ( -2.193 36.213 1.971) 36.333 16.685 ( 2.377 34.408 -2.743) 34.599 18.685 ( -0.618 -2.823 -0.213) 2.898 18.720 ( 0.497 -5.964 0.379) 5.996 21.108 ( -0.643 1.243 0.332) 1.438 21.176 ( 1.435 -1.160 -0.221) 1.858 21.253 ( -0.632 -0.102 1.286) 1.437 21.285 ( -0.155 -0.235 -1.434) 1.461 ======================= Grid point 84 (41/49) ======================= q-point: (-0.25 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.356 -1.660 0.204) 1.710 2.137 ( 0.543 2.903 0.418) 2.983 2.157 ( -0.840 5.752 -1.330) 5.964 2.253 ( -0.413 9.656 0.422) 9.674 2.258 ( -2.224 10.076 -1.341) 10.405 2.391 ( 1.214 12.494 0.789) 12.577 2.432 ( -0.057 10.665 -0.763) 10.692 2.445 ( 2.512 6.773 0.721) 7.260 2.501 ( 3.428 9.231 0.878) 9.886 2.632 ( 4.152 6.105 -0.848) 7.432 2.656 ( 1.281 6.774 -2.344) 7.282 2.687 ( -3.693 1.232 2.755) 4.770 2.754 ( -2.715 6.184 1.346) 6.887 2.827 ( 0.060 5.994 0.959) 6.071 2.874 ( 1.682 -0.038 0.081) 1.685 2.945 ( 1.470 1.399 -0.627) 2.124 3.021 ( -0.668 1.279 1.792) 2.301 3.200 ( 2.805 4.321 -0.892) 5.228 3.257 ( -1.381 -1.147 -1.729) 2.492 3.319 ( 1.118 1.894 -3.513) 4.145 3.376 ( -2.100 5.686 -1.949) 6.367 3.491 ( -7.463 6.920 -0.966) 10.223 3.521 ( 2.890 9.420 1.917) 10.038 3.590 ( 4.246 4.189 -0.214) 5.969 3.634 ( -3.329 6.775 1.916) 7.788 3.766 ( 1.687 7.163 -0.397) 7.370 3.898 ( 1.189 5.887 3.392) 6.898 3.970 ( 2.048 0.872 -1.216) 2.536 3.998 ( 0.104 10.489 2.883) 10.879 4.113 ( -0.296 1.288 -1.938) 2.346 4.172 ( -3.807 24.065 2.857) 24.532 4.235 ( -5.355 15.362 -2.179) 16.414 4.560 ( 0.623 3.120 -1.445) 3.494 4.587 ( -1.044 4.613 1.229) 4.887 4.639 ( -0.359 8.421 -0.797) 8.466 4.859 ( -0.481 5.157 0.068) 5.180 5.035 ( -0.856 7.120 0.015) 7.171 5.052 ( 0.305 4.921 0.699) 4.980 5.117 ( 1.056 10.092 -0.876) 10.185 5.181 ( -2.521 11.930 0.617) 12.209 5.341 ( -2.168 11.140 -0.971) 11.390 5.367 ( 0.821 5.658 0.539) 5.743 5.487 ( 3.120 11.653 -1.165) 12.120 5.517 ( 3.402 5.162 -0.649) 6.216 5.614 ( -0.904 -0.708 -1.618) 1.984 5.622 ( -1.075 2.290 0.874) 2.676 5.753 ( 1.261 0.522 0.409) 1.425 5.801 ( 0.041 -0.752 1.502) 1.680 5.843 ( -0.143 3.138 -1.178) 3.354 6.019 ( 0.485 4.673 1.588) 4.959 6.068 ( 1.239 4.200 1.374) 4.590 6.143 ( 4.439 7.334 0.239) 8.577 6.206 ( 1.659 5.039 -1.050) 5.408 6.382 ( 1.843 -2.001 -1.017) 2.904 6.432 ( -0.366 3.536 0.349) 3.572 6.553 ( -1.563 0.734 -0.966) 1.979 6.581 ( 0.943 6.132 -0.034) 6.204 6.627 ( -2.753 -1.603 0.537) 3.231 6.680 ( -0.269 4.666 -0.822) 4.746 6.779 ( 4.402 2.443 0.251) 5.041 6.818 ( -1.441 3.034 -1.243) 3.581 6.872 ( 1.301 4.149 -2.414) 4.973 6.896 ( 0.170 1.219 1.478) 1.924 6.960 ( 1.004 4.473 -0.497) 4.611 6.986 ( 0.781 3.319 -1.022) 3.559 7.037 ( -2.482 2.384 2.343) 4.163 7.084 ( 0.434 -0.455 1.055) 1.228 7.102 ( 0.183 5.905 -0.723) 5.952 7.189 ( -0.053 2.620 3.453) 4.334 7.205 ( -1.396 2.619 3.178) 4.349 7.258 ( 0.202 3.867 -2.711) 4.727 7.309 ( 2.651 5.793 2.334) 6.785 7.454 ( -1.463 1.485 -4.408) 4.876 7.466 ( -0.234 3.166 -1.372) 3.459 7.482 ( -2.468 -0.101 2.043) 3.205 7.596 ( -1.412 1.087 -0.350) 1.815 7.610 ( -0.670 4.523 0.143) 4.574 7.666 ( -1.734 2.846 -1.600) 3.696 7.741 ( -4.460 4.451 -0.211) 6.304 7.775 ( -0.072 1.272 1.328) 1.840 7.832 ( -0.776 8.555 -0.735) 8.621 7.879 ( 2.315 -0.863 1.260) 2.774 7.963 ( 3.529 -2.693 -0.408) 4.457 8.101 ( 1.564 2.521 -1.026) 3.140 8.207 ( 2.662 1.232 0.343) 2.953 8.261 ( -0.053 2.081 0.413) 2.122 8.365 ( -1.463 13.649 -0.551) 13.738 8.399 ( -0.073 11.668 0.077) 11.669 8.478 ( 0.126 -6.398 0.491) 6.418 8.512 ( 1.043 -5.833 0.149) 5.927 9.148 ( 3.063 29.474 -0.003) 29.632 9.161 ( 3.183 26.364 -0.124) 26.556 9.323 ( -2.003 10.518 0.419) 10.715 9.344 ( -1.927 6.714 -0.396) 6.996 9.949 ( -1.986 5.900 0.281) 6.232 9.980 ( -1.189 4.178 -0.211) 4.349 10.066 ( -5.513 8.875 1.386) 10.539 10.119 ( -5.192 5.265 -1.510) 7.547 10.471 ( 8.951 0.551 -0.057) 8.968 10.530 ( 10.419 -1.348 -0.248) 10.509 10.808 ( -2.519 -1.109 -0.638) 2.825 10.826 ( -1.954 -1.359 0.761) 2.499 11.112 ( -0.961 0.461 -0.149) 1.076 11.156 ( -1.906 -0.915 0.469) 2.165 11.803 ( 0.014 -2.581 1.043) 2.784 11.859 ( -1.751 -2.305 -1.135) 3.110 12.086 ( 0.148 -8.294 4.474) 9.425 12.242 ( 2.266 -11.286 -5.812) 12.895 12.593 ( 0.416 11.865 -0.748) 11.896 12.637 ( 0.530 10.409 0.593) 10.440 12.873 ( -0.270 -7.577 0.304) 7.588 12.898 ( 0.038 -8.163 0.284) 8.168 13.006 ( -0.254 15.863 0.216) 15.867 13.083 ( -0.713 14.309 0.700) 14.344 14.266 ( -1.746 6.770 0.106) 6.992 14.270 ( -1.851 5.435 -0.019) 5.741 15.831 ( 1.217 30.982 -0.727) 31.015 15.945 ( -0.902 29.018 1.243) 29.059 16.606 ( 0.654 36.270 2.679) 36.374 16.743 ( 3.249 30.567 -3.786) 30.972 18.678 ( -0.083 -2.524 0.709) 2.623 18.727 ( 0.167 -5.960 -0.322) 5.971 20.955 ( -7.791 2.647 0.418) 8.239 20.982 ( -9.434 1.282 -0.537) 9.535 21.396 ( 6.582 -0.564 1.244) 6.722 21.455 ( 8.084 -1.916 -1.123) 8.383 ======================= Grid point 85 (42/49) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.009 -1.333 0.384) 1.387 1.962 ( -0.120 -10.934 -0.835) 10.967 2.348 ( 0.591 4.189 0.043) 4.231 2.361 ( -0.456 4.011 -1.001) 4.160 2.398 ( 0.133 6.635 0.250) 6.641 2.572 ( 0.239 2.502 0.604) 2.585 2.616 ( -1.188 0.821 0.292) 1.473 2.634 ( -0.067 8.526 1.479) 8.654 2.670 ( 0.315 9.008 -0.761) 9.046 2.691 ( -0.099 3.756 -2.651) 4.598 2.729 ( -0.251 3.714 1.734) 4.106 2.803 ( 0.346 4.748 1.254) 4.923 2.827 ( 0.348 6.060 1.055) 6.161 2.870 ( 0.549 2.193 -0.103) 2.263 2.911 ( -0.324 -4.097 0.513) 4.142 2.969 ( 2.143 0.282 -0.837) 2.318 3.020 ( -2.004 4.489 -1.691) 5.199 3.185 ( -0.003 -2.465 1.184) 2.735 3.254 ( 1.327 -1.630 -2.318) 3.129 3.267 ( -1.152 -1.879 -0.714) 2.317 3.398 ( 0.197 -1.936 -2.031) 2.813 3.579 ( 0.065 5.029 -0.286) 5.038 3.666 ( -0.335 -0.843 2.941) 3.078 3.737 ( -0.556 7.190 1.534) 7.372 3.807 ( -1.708 8.293 1.163) 8.546 3.834 ( 1.278 8.365 0.521) 8.478 4.075 ( 0.472 5.356 -2.974) 6.145 4.160 ( -1.174 9.476 -0.076) 9.549 4.183 ( 0.586 9.081 0.438) 9.111 4.264 ( -0.226 9.178 1.312) 9.274 4.301 ( 1.128 -0.583 0.620) 1.413 4.400 ( 0.285 4.975 -0.198) 4.987 4.621 ( 0.042 2.870 -0.125) 2.873 4.777 ( 0.659 15.693 0.372) 15.711 4.855 ( -1.725 6.068 -0.866) 6.368 4.863 ( 0.433 4.282 -0.456) 4.327 5.134 ( 0.593 2.760 0.384) 2.849 5.223 ( -0.070 8.783 -1.444) 8.901 5.324 ( 1.840 6.043 1.083) 6.409 5.337 ( -2.210 6.976 -0.172) 7.320 5.401 ( -0.955 2.125 2.729) 3.588 5.474 ( 0.725 -0.290 -1.930) 2.082 5.539 ( -0.724 0.257 1.526) 1.709 5.561 ( 0.284 0.585 0.633) 0.908 5.634 ( 0.537 0.748 0.495) 1.046 5.673 ( 0.114 4.069 -3.653) 5.470 5.893 ( -0.898 5.785 1.102) 5.957 5.914 ( 0.248 3.751 -0.950) 3.877 5.959 ( 1.477 13.329 -0.492) 13.419 6.043 ( -0.220 2.977 0.527) 3.031 6.225 ( -0.298 3.789 -1.257) 4.004 6.300 ( -0.161 0.287 0.380) 0.502 6.355 ( -0.077 2.922 -0.786) 3.027 6.371 ( 0.711 4.148 0.170) 4.212 6.506 ( -2.549 -3.733 -0.374) 4.535 6.537 ( 2.829 -2.104 -1.386) 3.789 6.587 ( 0.077 9.755 0.349) 9.761 6.715 ( -0.822 6.579 -1.421) 6.781 6.761 ( 0.649 0.149 0.146) 0.682 6.789 ( -1.209 3.602 -0.835) 3.890 6.826 ( 0.545 -0.858 0.309) 1.062 6.880 ( -0.946 2.276 2.852) 3.770 6.970 ( -0.777 3.217 -1.712) 3.726 7.021 ( -0.774 0.828 0.247) 1.160 7.041 ( 1.136 0.506 1.334) 1.824 7.097 ( 2.670 2.206 0.875) 3.573 7.138 ( 0.476 1.247 5.680) 5.835 7.185 ( -1.078 3.477 5.405) 6.517 7.222 ( -0.564 4.824 -1.242) 5.014 7.293 ( 1.527 -1.012 -3.458) 3.913 7.314 ( -0.038 2.616 -1.073) 2.827 7.347 ( -3.127 -2.472 -0.666) 4.042 7.419 ( -1.262 3.369 0.715) 3.668 7.436 ( 1.787 1.387 -0.782) 2.393 7.579 ( 0.120 2.195 -2.016) 2.983 7.618 ( 1.393 -2.616 -2.222) 3.704 7.632 ( -0.417 -1.223 -0.629) 1.437 7.724 ( -0.660 1.279 -0.229) 1.457 7.725 ( 1.037 8.005 -1.018) 8.136 7.799 ( -1.256 1.259 0.177) 1.787 7.919 ( -2.315 -0.906 2.217) 3.331 7.937 ( 1.560 1.755 0.799) 2.480 7.992 ( 1.712 4.398 -0.250) 4.726 8.181 ( 2.464 -4.466 1.279) 5.259 8.224 ( -2.973 -0.965 -1.160) 3.334 8.242 ( 1.815 -1.222 -0.305) 2.210 8.275 ( -2.294 -0.540 -1.538) 2.814 8.362 ( 0.522 -7.346 1.221) 7.465 8.484 ( -0.396 -3.504 1.189) 3.721 8.520 ( 0.467 -2.618 -1.000) 2.841 9.257 ( 0.410 -0.437 -0.068) 0.603 9.289 ( -0.378 0.130 -0.120) 0.418 9.667 ( 0.446 11.527 0.137) 11.536 9.693 ( -0.420 12.529 -0.169) 12.537 10.024 ( 0.004 1.111 0.103) 1.116 10.070 ( -0.040 2.368 0.005) 2.369 10.353 ( 0.176 14.017 0.027) 14.018 10.353 ( -0.180 15.426 0.039) 15.427 10.580 ( -0.459 8.999 -0.306) 9.016 10.611 ( 0.463 7.551 0.203) 7.568 10.837 ( -0.038 4.368 0.092) 4.369 10.848 ( 0.055 3.414 -0.270) 3.425 11.145 ( 0.103 2.328 -0.037) 2.331 11.168 ( -0.139 2.572 0.358) 2.600 11.754 ( -0.625 -1.120 2.328) 2.658 11.830 ( 0.562 0.826 -2.226) 2.440 11.958 ( -0.224 -5.221 4.397) 6.830 12.063 ( 0.362 -6.605 -4.834) 8.193 12.732 ( -0.009 -5.085 0.172) 5.088 12.762 ( -0.030 -4.407 -0.401) 4.425 12.837 ( 0.099 9.781 0.037) 9.781 12.857 ( -0.082 10.295 0.224) 10.298 13.333 ( 0.056 16.122 0.089) 16.122 13.372 ( -0.091 14.540 0.215) 14.542 14.320 ( 0.045 2.364 -0.175) 2.371 14.335 ( -0.053 2.600 0.238) 2.611 16.295 ( -0.025 14.783 -0.216) 14.785 16.334 ( -0.015 12.500 0.380) 12.505 17.176 ( 0.726 19.629 0.366) 19.646 17.219 ( -0.694 17.432 -0.634) 17.458 18.637 ( 0.016 -1.560 -0.165) 1.569 18.656 ( -0.011 -2.216 0.253) 2.230 20.934 ( -0.064 3.015 0.169) 3.021 20.938 ( 0.063 2.977 -0.184) 2.984 21.475 ( -0.101 0.918 0.594) 1.098 21.516 ( 0.105 -0.621 -0.584) 0.859 ======================= Grid point 86 (43/49) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.758 -0.341 0.277) 0.876 1.969 ( 0.842 -10.190 -0.289) 10.229 2.346 ( -0.469 5.260 -1.287) 5.436 2.358 ( 0.251 2.831 0.427) 2.874 2.408 ( 0.611 5.870 -0.140) 5.903 2.526 ( -3.149 3.830 0.431) 4.977 2.594 ( -1.094 2.564 0.316) 2.805 2.652 ( 0.561 10.486 0.570) 10.516 2.662 ( -0.372 8.498 0.653) 8.532 2.693 ( 0.196 1.989 -0.350) 2.029 2.734 ( 0.063 1.854 1.407) 2.328 2.772 ( -0.193 4.147 -1.524) 4.422 2.870 ( 0.918 4.126 -0.537) 4.261 2.902 ( -0.489 -2.649 -0.569) 2.753 2.926 ( 3.121 2.075 0.943) 3.865 2.946 ( -1.094 3.406 -1.066) 3.733 3.040 ( 1.536 3.495 1.481) 4.095 3.203 ( 0.173 -0.468 -1.384) 1.471 3.246 ( 1.340 -1.786 -2.222) 3.150 3.293 ( 1.300 -0.817 0.601) 1.649 3.409 ( 1.273 -1.596 -1.798) 2.720 3.612 ( 2.365 -1.809 1.043) 3.155 3.679 ( 1.381 3.286 1.075) 3.723 3.717 ( -3.804 10.615 1.953) 11.444 3.754 ( 0.537 4.967 1.506) 5.218 3.800 ( -2.782 7.269 0.279) 7.788 4.007 ( -4.769 3.363 0.160) 5.837 4.024 ( -8.208 3.511 -1.465) 9.047 4.167 ( -1.156 7.342 0.442) 7.446 4.243 ( -2.138 6.093 -0.294) 6.464 4.438 ( 8.177 10.972 -0.088) 13.685 4.535 ( 7.174 7.295 -0.353) 10.238 4.639 ( 2.479 2.375 -0.080) 3.434 4.762 ( -1.924 12.370 -0.944) 12.554 4.826 ( -1.524 11.751 1.566) 11.953 4.882 ( 1.983 0.526 -0.353) 2.082 5.115 ( -2.132 2.489 0.027) 3.277 5.238 ( 1.498 8.713 -1.341) 8.942 5.305 ( -0.258 6.928 0.147) 6.935 5.363 ( 0.395 3.827 0.994) 3.974 5.397 ( 0.480 1.515 0.838) 1.796 5.475 ( -0.149 1.654 -0.423) 1.714 5.546 ( 0.999 -2.331 1.624) 3.011 5.580 ( 1.225 1.396 0.211) 1.869 5.657 ( 0.361 5.023 -2.454) 5.602 5.681 ( 2.102 0.757 -0.134) 2.238 5.842 ( -2.724 7.693 0.624) 8.185 5.894 ( -2.885 5.750 -1.976) 6.730 5.949 ( -1.471 11.183 0.582) 11.295 6.062 ( 1.657 2.509 0.574) 3.062 6.179 ( -3.249 3.440 -0.354) 4.745 6.251 ( -3.946 1.390 0.465) 4.210 6.312 ( -4.629 4.823 0.202) 6.688 6.362 ( 0.644 1.870 -2.223) 2.975 6.497 ( 1.903 -2.431 -1.385) 3.383 6.584 ( 1.620 5.576 -0.321) 5.816 6.607 ( 2.201 0.483 -0.045) 2.254 6.697 ( -1.756 5.184 0.376) 5.486 6.741 ( -1.869 -2.509 0.327) 3.146 6.774 ( -0.028 5.724 -0.526) 5.748 6.820 ( -0.013 0.319 0.793) 0.855 6.907 ( -1.047 3.279 2.566) 4.293 6.954 ( 2.274 0.628 0.570) 2.427 7.006 ( -0.823 2.506 -0.841) 2.768 7.069 ( -1.234 4.295 -0.335) 4.482 7.112 ( -0.087 1.551 0.111) 1.558 7.149 ( -1.824 1.407 0.469) 2.351 7.163 ( -0.016 2.523 1.158) 2.776 7.206 ( 1.819 3.249 2.098) 4.274 7.286 ( -2.127 0.830 -0.849) 2.436 7.314 ( 0.335 -0.242 3.052) 3.079 7.333 ( -1.401 2.705 -1.061) 3.225 7.429 ( 3.278 -1.622 0.148) 3.660 7.468 ( 1.039 1.169 -0.535) 1.653 7.540 ( -2.951 1.652 -0.445) 3.411 7.582 ( -2.735 -1.846 -2.894) 4.389 7.625 ( 0.129 -0.458 -1.786) 1.848 7.731 ( 1.408 0.913 -0.287) 1.702 7.753 ( 1.872 0.287 1.173) 2.228 7.840 ( -3.020 0.638 1.088) 3.273 7.873 ( 4.141 3.936 -0.828) 5.773 7.930 ( -4.058 -0.908 -0.852) 4.245 7.983 ( 3.009 3.795 0.893) 4.925 8.163 ( -1.466 1.638 -1.575) 2.705 8.193 ( -1.619 -0.694 0.383) 1.802 8.260 ( -0.588 -5.775 -0.497) 5.826 8.286 ( 1.560 -3.695 1.946) 4.458 8.362 ( -1.617 -4.469 0.032) 4.753 8.492 ( 0.966 -0.672 0.735) 1.388 8.538 ( 0.992 -0.453 -0.983) 1.468 9.332 ( 5.421 1.595 -1.207) 5.778 9.342 ( 4.104 1.408 1.114) 4.480 9.679 ( 0.532 12.492 -1.090) 12.550 9.687 ( -0.188 12.464 0.982) 12.504 10.024 ( 0.010 0.155 0.038) 0.160 10.055 ( -1.117 1.373 0.099) 1.773 10.322 ( -2.080 9.842 -0.086) 10.060 10.338 ( -1.313 10.827 0.083) 10.906 10.573 ( -0.124 14.838 0.616) 14.851 10.611 ( -0.288 12.563 -0.697) 12.585 10.826 ( -0.845 2.723 0.114) 2.853 10.839 ( -0.835 1.929 -0.244) 2.117 11.153 ( 0.592 2.365 -0.155) 2.443 11.169 ( 0.108 2.124 0.514) 2.188 11.748 ( -0.427 -0.970 2.632) 2.837 11.846 ( 1.300 -0.086 -2.470) 2.793 11.960 ( -0.741 -5.333 4.099) 6.767 12.047 ( -0.309 -5.740 -4.641) 7.388 12.737 ( 0.342 -5.296 0.064) 5.307 12.759 ( -0.125 -4.242 -0.225) 4.250 12.840 ( 0.096 10.573 -0.138) 10.574 12.860 ( 0.170 10.368 0.343) 10.375 13.334 ( -0.001 15.877 -0.070) 15.878 13.373 ( 0.109 14.286 0.358) 14.291 14.341 ( 1.644 2.248 -0.190) 2.791 14.355 ( 1.517 2.490 0.252) 2.927 16.277 ( -1.087 14.980 -0.276) 15.022 16.341 ( 0.298 12.422 0.434) 12.433 17.194 ( 0.921 19.174 -0.918) 19.218 17.196 ( -1.315 19.030 0.699) 19.088 18.637 ( 0.060 -1.862 -0.096) 1.865 18.650 ( -0.471 -2.066 0.151) 2.125 21.006 ( 6.382 2.252 0.289) 6.774 21.019 ( 7.171 1.958 -0.308) 7.440 21.406 ( -6.213 1.367 0.660) 6.396 21.442 ( -6.570 -0.063 -0.654) 6.603 ======================= Grid point 87 (44/49) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.119 0.429 0.240) 0.505 1.984 ( 0.314 -9.622 -0.059) 9.627 2.337 ( -0.088 5.409 -0.985) 5.499 2.364 ( 0.182 2.892 0.187) 2.904 2.416 ( -0.088 4.827 -0.101) 4.829 2.481 ( -0.196 4.781 -0.185) 4.789 2.586 ( 0.203 3.407 0.901) 3.530 2.647 ( -0.494 7.527 0.989) 7.608 2.668 ( 0.125 8.794 0.743) 8.826 2.703 ( 1.147 6.259 -2.082) 6.695 2.735 ( 0.053 3.360 -0.712) 3.436 2.779 ( 0.103 -1.495 1.223) 1.935 2.844 ( -2.095 3.472 0.263) 4.063 2.892 ( -0.091 -2.683 -0.295) 2.701 2.954 ( 0.411 5.089 -0.683) 5.152 2.965 ( -0.110 3.997 -0.117) 4.000 3.061 ( 0.344 4.560 2.611) 5.266 3.191 ( 0.440 0.366 -4.605) 4.641 3.269 ( -0.339 -0.538 0.140) 0.651 3.310 ( 0.578 -0.419 0.195) 0.740 3.426 ( 0.404 -1.290 -1.613) 2.104 3.631 ( -0.231 -0.883 2.526) 2.686 3.676 ( 0.007 4.363 2.132) 4.856 3.731 ( -0.671 8.054 -1.614) 8.241 3.766 ( -0.608 3.357 0.865) 3.520 3.812 ( 2.975 2.154 0.710) 3.741 3.862 ( -2.801 4.402 -0.781) 5.275 3.964 ( 1.643 -0.284 1.935) 2.554 4.144 ( -0.295 8.181 -0.694) 8.216 4.205 ( -0.883 7.577 -0.694) 7.660 4.549 ( 1.172 12.577 1.222) 12.690 4.593 ( -0.895 8.729 -2.505) 9.126 4.687 ( -1.552 5.689 1.147) 6.007 4.725 ( -0.202 11.625 -0.231) 11.629 4.809 ( 1.013 7.035 0.836) 7.157 4.924 ( 0.788 1.816 -0.353) 2.011 5.082 ( -0.298 1.697 0.302) 1.749 5.253 ( -0.005 9.949 -1.544) 10.069 5.312 ( -0.371 7.978 0.464) 8.000 5.359 ( 0.790 0.443 0.223) 0.933 5.412 ( 0.210 0.887 -0.059) 0.914 5.471 ( -0.085 2.187 0.196) 2.197 5.552 ( -0.681 -1.302 1.570) 2.150 5.616 ( 0.729 -1.003 -1.778) 2.167 5.680 ( 0.601 4.209 -0.399) 4.271 5.698 ( 0.373 3.319 0.773) 3.428 5.792 ( -1.533 8.013 0.421) 8.169 5.827 ( -0.156 10.470 -1.772) 10.620 5.939 ( 0.057 6.770 0.244) 6.775 6.096 ( 0.672 2.654 2.049) 3.420 6.131 ( -1.193 2.347 -0.592) 2.699 6.193 ( 0.444 3.958 -0.038) 3.983 6.253 ( 0.245 3.846 -0.609) 3.901 6.369 ( 0.439 1.906 -2.503) 3.176 6.513 ( 0.005 -0.654 -1.568) 1.699 6.618 ( -0.567 3.275 1.074) 3.492 6.651 ( -0.202 0.175 -0.700) 0.749 6.680 ( 0.367 2.751 0.014) 2.775 6.711 ( 0.894 1.620 0.447) 1.904 6.736 ( -0.188 1.371 -0.280) 1.412 6.843 ( 0.247 2.530 1.890) 3.168 6.906 ( 1.077 1.885 1.808) 2.825 6.955 ( -1.923 5.295 -1.891) 5.943 7.013 ( 1.646 2.605 0.803) 3.184 7.064 ( -0.609 4.299 -0.653) 4.390 7.094 ( -1.091 0.778 1.927) 2.347 7.139 ( -1.143 1.514 1.404) 2.360 7.154 ( -0.421 2.894 -1.465) 3.271 7.216 ( -0.179 2.038 1.072) 2.310 7.265 ( -0.184 -0.294 -0.713) 0.793 7.312 ( 0.173 0.734 1.165) 1.387 7.328 ( 1.664 1.976 1.322) 2.902 7.470 ( -1.337 1.233 -1.448) 2.325 7.475 ( -0.410 -5.422 0.502) 5.461 7.524 ( 0.927 0.400 1.453) 1.769 7.544 ( 2.451 0.057 -0.105) 2.454 7.610 ( -1.045 3.620 -3.882) 5.410 7.737 ( -0.726 0.739 -1.250) 1.623 7.779 ( -0.310 -0.922 0.995) 1.391 7.816 ( 1.390 -1.568 -0.118) 2.099 7.861 ( -0.860 -1.717 -0.666) 2.033 7.957 ( 0.060 2.940 0.083) 2.941 8.054 ( -0.439 2.693 0.099) 2.731 8.135 ( 1.818 0.087 1.674) 2.473 8.158 ( -1.897 3.428 -0.363) 3.935 8.250 ( 1.575 -4.817 -0.032) 5.068 8.299 ( -1.818 -6.875 -0.047) 7.112 8.324 ( 0.637 -5.326 -0.252) 5.370 8.513 ( 0.530 2.810 -0.140) 2.863 8.542 ( -0.402 1.760 -0.057) 1.806 9.381 ( -0.826 4.207 0.556) 4.323 9.421 ( 0.961 2.924 -0.685) 3.153 9.671 ( -0.994 13.183 0.850) 13.248 9.694 ( 0.846 12.338 -0.867) 12.397 10.030 ( 0.292 -1.138 0.155) 1.185 10.036 ( -0.256 0.823 -0.019) 0.862 10.295 ( 0.065 5.941 -0.313) 5.949 10.321 ( -0.075 6.114 0.254) 6.119 10.577 ( 0.217 19.690 1.096) 19.722 10.602 ( -0.206 17.879 -1.160) 17.917 10.816 ( 0.050 1.130 0.019) 1.132 10.824 ( -0.027 0.290 -0.140) 0.323 11.160 ( -0.134 2.878 -0.005) 2.881 11.172 ( 0.074 1.152 0.415) 1.227 11.751 ( -0.110 -1.269 2.909) 3.175 11.856 ( 0.096 -0.777 -2.769) 2.878 11.953 ( -0.843 -4.641 3.529) 5.891 12.039 ( 0.881 -5.364 -4.050) 6.778 12.741 ( -0.027 -5.370 -0.050) 5.370 12.758 ( 0.119 -4.621 -0.166) 4.626 12.840 ( -0.068 11.470 -0.088) 11.471 12.863 ( -0.011 10.717 0.333) 10.722 13.333 ( -0.047 15.717 -0.100) 15.717 13.376 ( 0.003 13.940 0.382) 13.945 14.363 ( 0.002 2.157 -0.155) 2.162 14.376 ( -0.010 2.374 0.217) 2.384 16.263 ( 0.043 15.259 -0.324) 15.263 16.345 ( -0.035 12.234 0.437) 12.242 17.172 ( -0.942 20.366 0.699) 20.400 17.212 ( 0.962 18.944 -0.866) 18.988 18.641 ( 0.138 -1.860 0.037) 1.865 18.642 ( -0.160 -2.183 0.011) 2.189 21.128 ( 0.125 0.693 0.172) 0.725 21.155 ( -0.155 -0.753 -0.180) 0.790 21.290 ( 0.107 2.725 0.812) 2.846 21.310 ( -0.078 2.088 -0.822) 2.245 ======================= Grid point 88 (45/49) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.821 -0.543 0.385) 1.057 1.976 ( -0.782 -10.384 -0.708) 10.438 2.338 ( 0.372 5.224 -0.479) 5.259 2.366 ( 0.080 3.124 -0.397) 3.150 2.403 ( -0.649 5.879 0.198) 5.918 2.524 ( 3.163 3.239 0.486) 4.553 2.601 ( 1.018 5.028 -0.400) 5.145 2.650 ( 0.943 8.675 -0.043) 8.726 2.665 ( -0.892 3.467 1.620) 3.929 2.721 ( -1.500 5.822 1.438) 6.182 2.739 ( 1.763 3.358 -3.891) 5.433 2.747 ( -1.239 4.905 1.035) 5.164 2.840 ( 0.632 1.106 1.212) 1.758 2.901 ( 0.674 -2.699 0.338) 2.803 2.918 ( -3.581 3.833 1.122) 5.364 2.944 ( -0.376 4.512 -1.038) 4.645 3.064 ( -1.045 3.473 0.288) 3.638 3.201 ( 0.282 -1.430 -1.508) 2.098 3.239 ( -0.935 -0.498 -1.372) 1.733 3.305 ( -1.342 -1.544 -0.373) 2.080 3.413 ( -0.863 -1.791 -2.159) 2.935 3.613 ( -2.660 -1.275 0.822) 3.063 3.672 ( -1.768 2.949 2.092) 4.025 3.740 ( 1.376 7.690 2.043) 8.075 3.744 ( 4.432 10.404 -0.517) 11.320 3.803 ( -0.626 4.072 0.812) 4.199 4.001 ( 8.557 4.023 -0.000) 9.456 4.041 ( 4.326 1.355 -1.914) 4.920 4.168 ( 1.982 7.972 0.461) 8.228 4.217 ( 1.875 7.474 1.274) 7.810 4.455 ( -9.154 9.303 -1.913) 13.191 4.508 ( -6.503 8.414 1.995) 10.819 4.632 ( -1.556 2.056 0.311) 2.597 4.751 ( 1.586 14.585 -0.079) 14.671 4.846 ( 1.353 5.084 0.326) 5.271 4.900 ( -1.999 5.516 -1.471) 6.048 5.104 ( 1.694 2.693 0.659) 3.249 5.237 ( -0.679 9.130 -1.325) 9.251 5.300 ( -0.088 7.411 0.370) 7.421 5.374 ( -0.573 4.595 0.034) 4.630 5.418 ( -0.251 0.727 1.228) 1.449 5.461 ( -0.180 0.669 -0.868) 1.110 5.550 ( -0.405 -1.431 2.737) 3.115 5.581 ( -2.026 -0.003 -2.325) 3.084 5.652 ( -1.599 1.604 1.398) 2.662 5.684 ( -0.963 5.305 -2.637) 6.002 5.859 ( 2.986 7.188 -0.679) 7.813 5.864 ( 4.524 7.355 0.588) 8.655 5.942 ( 0.044 8.709 0.578) 8.728 6.066 ( -2.061 2.361 0.312) 3.149 6.179 ( 4.471 4.128 -0.397) 6.098 6.260 ( 3.676 2.204 -0.025) 4.286 6.305 ( 3.770 3.899 0.694) 5.468 6.365 ( -0.075 1.807 -2.383) 2.992 6.503 ( -0.323 -3.868 -1.945) 4.342 6.580 ( -1.699 6.101 1.572) 6.525 6.592 ( -2.885 3.011 -0.971) 4.281 6.701 ( 2.130 4.739 -0.136) 5.198 6.762 ( 2.765 -1.759 -0.602) 3.332 6.784 ( -0.801 4.649 -1.021) 4.826 6.820 ( -0.536 -0.341 1.339) 1.482 6.914 ( 0.171 0.923 2.688) 2.847 6.960 ( -0.173 4.777 -2.624) 5.454 7.019 ( 1.117 1.413 -0.838) 1.986 7.050 ( -0.026 2.399 1.493) 2.826 7.062 ( -1.692 2.189 2.862) 3.981 7.107 ( -0.740 2.241 2.031) 3.114 7.181 ( 0.726 1.888 3.523) 4.062 7.216 ( 0.289 1.850 0.536) 1.948 7.288 ( 1.134 0.254 -1.693) 2.053 7.313 ( -0.076 4.914 -0.727) 4.969 7.382 ( 1.947 0.207 -0.407) 2.000 7.427 ( -2.422 -3.438 0.774) 4.276 7.473 ( -1.326 1.381 -0.996) 2.158 7.526 ( 2.120 0.192 -0.153) 2.134 7.583 ( 1.282 1.366 -2.801) 3.369 7.620 ( 2.222 0.745 -1.340) 2.700 7.739 ( -2.510 1.192 -0.811) 2.895 7.776 ( -1.043 0.254 -0.299) 1.114 7.832 ( 3.775 -1.197 0.339) 3.975 7.847 ( -0.995 2.174 1.958) 3.090 7.927 ( 0.521 0.467 -0.398) 0.806 7.985 ( -3.192 4.904 0.510) 5.873 8.152 ( 0.170 1.615 -0.828) 1.823 8.199 ( 2.329 -1.247 0.052) 2.643 8.253 ( -0.050 -6.711 -0.018) 6.711 8.323 ( -0.348 -6.873 -0.829) 6.932 8.339 ( 1.832 -0.290 1.778) 2.570 8.512 ( -1.362 -0.685 0.767) 1.707 8.521 ( -0.652 -0.583 -1.178) 1.467 9.314 ( -4.587 1.443 0.363) 4.822 9.361 ( -5.012 1.540 -0.507) 5.268 9.662 ( -0.072 12.220 0.349) 12.225 9.702 ( -0.148 12.854 -0.361) 12.860 10.024 ( -0.107 0.360 0.033) 0.377 10.056 ( 1.152 1.128 0.050) 1.613 10.323 ( 2.095 10.104 -0.136) 10.320 10.337 ( 1.310 10.558 0.148) 10.640 10.587 ( 0.134 14.470 0.454) 14.478 10.597 ( 0.309 12.829 -0.542) 12.845 10.827 ( 0.798 2.726 0.078) 2.841 10.839 ( 0.920 1.897 -0.221) 2.120 11.150 ( -0.560 2.558 0.077) 2.620 11.172 ( -0.240 1.935 0.291) 1.971 11.756 ( -0.241 -1.372 2.573) 2.926 11.839 ( -0.629 0.150 -2.424) 2.508 11.950 ( -0.321 -4.526 3.823) 5.933 12.056 ( 1.462 -6.280 -4.307) 7.755 12.736 ( -0.344 -5.204 0.083) 5.216 12.761 ( 0.193 -4.753 -0.358) 4.771 12.837 ( -0.107 10.857 0.045) 10.857 12.861 ( -0.231 10.474 0.246) 10.480 13.332 ( -0.003 15.968 0.044) 15.968 13.374 ( -0.183 14.191 0.253) 14.194 14.341 ( -1.601 2.275 -0.144) 2.786 14.356 ( -1.576 2.477 0.206) 2.943 16.277 ( 1.210 15.001 -0.304) 15.053 16.341 ( -0.463 12.359 0.429) 12.375 17.165 ( 0.072 20.405 0.736) 20.418 17.225 ( 0.386 17.782 -0.956) 17.812 18.637 ( -0.040 -1.579 -0.119) 1.584 18.650 ( 0.432 -2.308 0.198) 2.356 21.008 ( -6.497 2.375 0.281) 6.923 21.017 ( -7.050 1.815 -0.305) 7.286 21.407 ( 6.002 1.251 0.645) 6.165 21.441 ( 6.778 0.074 -0.631) 6.808 ======================= Grid point 89 (46/49) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.049 3.966 0.213) 3.972 1.750 ( -0.048 -9.632 -0.355) 9.639 2.396 ( -0.008 1.338 -0.279) 1.366 2.404 ( 0.221 0.699 -0.916) 1.173 2.506 ( -0.052 4.741 0.104) 4.742 2.581 ( -0.228 -1.824 0.774) 1.995 2.606 ( -0.134 0.191 0.481) 0.534 2.644 ( 0.153 -3.540 -1.021) 3.687 2.761 ( 0.396 1.764 -0.418) 1.856 2.775 ( 0.117 2.614 -0.685) 2.705 2.841 ( -0.749 1.091 0.510) 1.418 2.857 ( 1.246 -0.913 -0.611) 1.661 2.880 ( -1.327 3.215 1.197) 3.679 2.895 ( -0.332 1.019 -0.347) 1.126 2.909 ( 1.187 5.515 -0.297) 5.649 3.005 ( 0.130 -1.195 -0.160) 1.213 3.113 ( -0.727 4.561 -0.192) 4.622 3.166 ( -0.044 0.883 1.011) 1.343 3.227 ( 0.338 -0.679 0.045) 0.760 3.281 ( -0.065 1.317 -0.805) 1.545 3.330 ( 0.007 -1.061 -0.295) 1.101 3.459 ( -0.222 -8.885 1.850) 9.078 3.782 ( 0.229 5.445 -0.196) 5.453 3.822 ( -0.312 1.398 0.339) 1.472 3.936 ( -0.333 3.799 0.900) 3.919 3.958 ( 0.003 2.099 -0.990) 2.321 4.177 ( 1.283 5.138 -0.337) 5.307 4.250 ( -0.708 -2.240 -0.050) 2.350 4.303 ( -1.325 4.268 0.010) 4.469 4.312 ( 0.390 3.234 0.114) 3.260 4.424 ( 0.616 5.009 0.646) 5.088 4.460 ( 0.785 1.173 0.555) 1.517 4.683 ( 0.053 3.957 0.058) 3.958 4.776 ( 0.088 -5.096 0.224) 5.101 5.016 ( -0.126 6.498 -0.370) 6.509 5.035 ( -0.497 4.292 -1.639) 4.620 5.194 ( 0.101 3.779 1.456) 4.051 5.292 ( 0.046 -4.475 0.648) 4.522 5.381 ( -0.622 2.057 0.021) 2.150 5.395 ( -0.663 1.182 0.465) 1.433 5.407 ( -0.173 0.552 -0.025) 0.579 5.434 ( 0.019 -1.459 -0.317) 1.493 5.596 ( -0.107 4.417 0.774) 4.485 5.623 ( 1.851 2.469 0.029) 3.086 5.662 ( 0.014 1.553 0.105) 1.556 5.701 ( -1.186 -1.546 -2.457) 3.136 5.979 ( 0.719 3.216 -0.937) 3.426 5.994 ( 0.216 2.587 -0.809) 2.719 6.116 ( 0.267 4.501 0.494) 4.536 6.170 ( 0.872 3.474 2.332) 4.274 6.227 ( -1.253 1.537 -2.867) 3.486 6.314 ( -0.119 -1.275 -0.670) 1.445 6.378 ( 0.118 -0.537 -1.285) 1.398 6.411 ( 0.140 -0.844 -0.704) 1.108 6.454 ( 0.906 1.866 -0.688) 2.186 6.511 ( 0.557 -2.087 -1.438) 2.595 6.715 ( -0.726 1.345 2.813) 3.202 6.734 ( -0.730 -0.112 0.887) 1.154 6.833 ( -1.510 4.543 0.318) 4.798 6.850 ( -0.528 3.144 -0.632) 3.250 6.899 ( 0.732 5.204 -0.441) 5.274 6.955 ( -1.166 2.807 1.050) 3.216 6.985 ( -0.621 -1.681 0.972) 2.039 7.022 ( 2.235 -2.442 -0.459) 3.342 7.053 ( -0.921 3.665 4.912) 6.198 7.101 ( 4.310 -0.481 4.503) 6.252 7.163 ( -2.540 1.858 2.554) 4.053 7.234 ( 1.836 -3.020 -0.657) 3.595 7.244 ( -1.422 -0.050 -2.776) 3.120 7.276 ( -0.546 -3.242 -3.748) 4.986 7.335 ( -0.048 5.352 0.682) 5.395 7.373 ( -0.257 2.553 -0.916) 2.725 7.446 ( -2.247 0.453 0.452) 2.336 7.468 ( 1.653 -0.866 1.552) 2.427 7.565 ( 1.068 -0.158 -1.302) 1.692 7.587 ( 1.198 -1.578 -2.296) 3.033 7.660 ( -2.546 3.054 -2.166) 4.528 7.715 ( -1.145 -1.985 -2.182) 3.165 7.814 ( 3.753 3.340 2.394) 5.565 7.857 ( -0.967 1.950 0.548) 2.245 7.929 ( -0.336 2.592 0.924) 2.772 7.957 ( 0.402 0.761 0.228) 0.890 8.029 ( -0.046 -2.687 -1.252) 2.965 8.078 ( -1.138 -7.461 0.073) 7.548 8.187 ( 0.774 4.218 0.131) 4.290 8.253 ( -1.262 0.187 0.534) 1.383 8.268 ( 7.914 -1.516 -0.050) 8.058 8.275 ( -7.173 -0.859 -0.365) 7.233 8.393 ( 0.078 -3.457 0.099) 3.459 8.417 ( 0.229 -5.367 -0.124) 5.373 9.254 ( 0.168 0.401 -0.235) 0.494 9.274 ( -0.163 -1.334 -0.062) 1.345 9.836 ( 0.276 7.205 1.167) 7.304 9.867 ( -0.337 6.905 -0.879) 6.969 9.975 ( -0.040 -5.011 1.053) 5.121 10.015 ( 0.056 -6.212 -1.079) 6.305 10.442 ( -0.115 1.451 0.034) 1.456 10.450 ( 0.127 0.719 0.010) 0.730 10.837 ( -0.007 6.904 0.109) 6.905 10.850 ( 0.005 6.699 -0.091) 6.700 10.915 ( -0.005 3.478 0.151) 3.481 10.929 ( 0.037 3.495 -0.167) 3.499 11.190 ( 0.044 2.610 -0.230) 2.621 11.209 ( 0.033 1.307 -0.040) 1.308 11.759 ( -0.455 1.357 2.829) 3.171 11.804 ( -0.242 -2.962 1.594) 3.372 11.947 ( 0.230 2.564 -1.054) 2.782 11.990 ( 0.393 -1.889 -3.213) 3.748 12.666 ( -0.000 -1.368 0.042) 1.368 12.680 ( 0.005 -2.729 -0.082) 2.730 13.005 ( 0.020 5.201 0.051) 5.202 13.013 ( -0.041 4.404 0.088) 4.406 13.582 ( 0.018 7.521 0.020) 7.521 13.593 ( -0.014 6.349 0.026) 6.350 14.350 ( 0.010 0.940 -0.048) 0.941 14.359 ( -0.031 0.159 0.161) 0.228 16.471 ( -0.038 4.025 -0.058) 4.025 16.479 ( 0.035 3.100 0.072) 3.101 17.429 ( 0.233 6.445 -0.110) 6.450 17.442 ( -0.229 5.153 0.084) 5.159 18.620 ( -0.008 -0.251 -0.080) 0.264 18.626 ( 0.008 -0.872 0.098) 0.877 20.977 ( -0.050 1.219 0.076) 1.223 20.979 ( 0.052 1.043 -0.072) 1.047 21.495 ( -0.019 0.891 0.180) 0.909 21.508 ( 0.020 -0.422 -0.190) 0.463 ======================= Grid point 90 (47/49) ======================= q-point: ( 0.25 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 1.787 4.211 0.064) 4.575 1.770 ( 1.676 -9.078 -0.127) 9.232 2.398 ( 0.238 1.320 -0.273) 1.369 2.405 ( 0.068 0.976 -0.904) 1.332 2.505 ( -0.079 4.589 0.189) 4.593 2.562 ( -1.326 -0.078 0.466) 1.408 2.601 ( -0.756 -0.109 0.451) 0.887 2.644 ( 0.241 -4.732 -0.444) 4.759 2.754 ( -0.882 1.483 -1.060) 2.025 2.768 ( -0.597 1.487 -0.687) 1.743 2.821 ( -0.798 2.405 -0.115) 2.537 2.846 ( -0.669 4.620 0.417) 4.687 2.867 ( -0.016 -1.267 -0.283) 1.299 2.891 ( 0.056 0.584 0.644) 0.871 2.970 ( 2.558 2.562 -0.012) 3.620 3.012 ( 0.567 0.425 0.075) 0.712 3.138 ( 2.361 5.425 0.390) 5.929 3.209 ( 2.694 -1.098 0.507) 2.953 3.247 ( 1.850 1.773 -0.693) 2.654 3.305 ( 1.582 3.937 -0.009) 4.243 3.338 ( 1.052 -3.831 -0.571) 4.014 3.463 ( 0.125 -8.798 1.739) 8.969 3.781 ( -0.130 3.655 -0.492) 3.690 3.806 ( -1.083 0.871 0.935) 1.675 3.886 ( -3.482 4.682 1.215) 5.961 3.911 ( -3.197 2.148 -0.562) 3.892 4.044 ( -7.521 2.202 -0.354) 7.844 4.067 ( -8.752 0.431 -0.260) 8.766 4.301 ( -0.554 4.757 -0.072) 4.790 4.328 ( -0.843 2.063 -0.367) 2.258 4.608 ( 10.390 5.045 -0.317) 11.554 4.643 ( 10.763 2.782 0.387) 11.124 4.691 ( 1.153 4.091 0.004) 4.251 4.790 ( 1.982 -4.306 -0.164) 4.743 4.995 ( -2.163 5.342 1.140) 5.875 5.005 ( -2.467 4.499 -1.076) 5.243 5.172 ( -2.866 3.972 0.845) 4.970 5.282 ( -2.416 -6.339 0.441) 6.798 5.377 ( 1.477 3.249 0.478) 3.601 5.389 ( 1.513 2.468 0.119) 2.897 5.415 ( 0.392 0.454 0.068) 0.604 5.457 ( 2.265 -2.411 -0.072) 3.309 5.582 ( -0.433 4.402 -0.818) 4.498 5.629 ( -1.675 1.282 -1.508) 2.593 5.692 ( 1.120 0.084 0.921) 1.453 5.696 ( 1.828 -0.198 0.579) 1.928 5.968 ( -2.124 3.869 -0.412) 4.433 5.980 ( -0.513 3.052 -1.208) 3.322 6.113 ( -1.037 2.970 1.316) 3.410 6.153 ( -2.752 1.896 3.456) 4.808 6.206 ( 0.133 4.436 -4.587) 6.382 6.272 ( -2.197 0.985 -1.418) 2.794 6.355 ( -3.726 -0.063 -0.591) 3.773 6.377 ( -0.168 -2.703 -2.979) 4.026 6.477 ( 1.085 2.821 -1.422) 3.340 6.555 ( 2.460 -3.668 -0.725) 4.475 6.707 ( -1.215 0.252 2.296) 2.609 6.712 ( -1.035 1.503 1.633) 2.449 6.780 ( -3.048 4.498 2.125) 5.835 6.827 ( -2.258 0.301 1.663) 2.820 6.912 ( 0.414 5.180 -1.804) 5.501 6.943 ( -0.702 -0.098 -0.229) 0.745 6.975 ( 2.299 2.668 2.775) 4.484 7.054 ( 2.709 0.732 -0.297) 2.822 7.105 ( -0.104 -0.881 2.524) 2.676 7.116 ( 0.941 0.997 0.278) 1.399 7.179 ( 0.493 0.121 -0.955) 1.081 7.208 ( 0.619 1.651 0.626) 1.871 7.252 ( -1.569 -1.666 -0.192) 2.297 7.271 ( -0.202 1.439 -0.186) 1.465 7.325 ( -1.307 1.353 1.938) 2.701 7.372 ( -3.921 -1.141 0.837) 4.169 7.392 ( 1.507 2.140 -2.222) 3.434 7.480 ( -0.908 -2.681 0.246) 2.841 7.545 ( -1.979 2.734 -1.442) 3.670 7.611 ( 1.538 -0.693 -3.163) 3.585 7.625 ( -0.292 3.252 0.849) 3.373 7.706 ( 0.505 -3.231 0.876) 3.386 7.783 ( -0.907 3.310 -0.592) 3.482 7.845 ( -4.151 -1.416 -1.634) 4.681 7.897 ( -2.144 1.744 -0.360) 2.787 7.967 ( 2.027 0.581 0.682) 2.217 7.986 ( -0.511 -1.490 1.031) 1.882 8.083 ( -2.219 -6.083 -0.517) 6.495 8.141 ( 1.850 -2.548 0.685) 3.223 8.166 ( -1.119 -2.333 -0.456) 2.627 8.289 ( -2.257 2.918 0.570) 3.733 8.336 ( -4.710 -1.690 -0.044) 5.004 8.483 ( 8.465 0.896 0.540) 8.530 8.508 ( 6.884 -1.429 -0.844) 7.082 9.327 ( 5.720 -0.448 -0.331) 5.747 9.337 ( 4.949 -1.208 0.135) 5.096 9.838 ( -0.956 5.076 1.189) 5.301 9.844 ( -1.703 5.192 -0.775) 5.518 9.978 ( 0.401 -2.961 0.454) 3.022 10.006 ( -0.145 -4.609 -0.691) 4.662 10.424 ( -1.230 2.486 0.007) 2.774 10.436 ( -1.158 1.332 -0.002) 1.765 10.830 ( -0.552 4.725 0.144) 4.759 10.843 ( -0.598 3.637 -0.126) 3.688 10.899 ( -1.213 5.668 0.166) 5.799 10.910 ( -1.464 4.876 -0.189) 5.095 11.198 ( 0.639 2.257 -0.220) 2.356 11.211 ( 0.137 1.319 -0.087) 1.329 11.756 ( -0.518 1.478 2.894) 3.291 11.804 ( -0.169 -3.300 1.522) 3.638 11.951 ( 0.348 2.534 -1.179) 2.816 11.989 ( 0.380 -1.384 -3.005) 3.330 12.668 ( 0.137 -1.464 0.021) 1.470 12.681 ( 0.028 -2.628 -0.069) 2.629 13.013 ( 0.601 5.302 -0.005) 5.336 13.020 ( 0.559 4.596 0.138) 4.632 13.580 ( -0.227 7.431 -0.016) 7.435 13.591 ( -0.189 6.238 0.066) 6.241 14.370 ( 1.513 0.875 -0.052) 1.749 14.378 ( 1.439 0.160 0.159) 1.457 16.462 ( -0.542 4.625 -0.062) 4.657 16.481 ( 0.006 2.621 0.080) 2.623 17.436 ( 0.279 6.071 -0.440) 6.093 17.440 ( 0.153 5.732 0.414) 5.749 18.617 ( -0.197 -0.324 -0.027) 0.381 18.622 ( -0.328 -0.834 0.039) 0.897 21.040 ( 5.495 1.014 0.091) 5.588 21.045 ( 5.708 0.556 -0.092) 5.736 21.432 ( -5.512 1.032 0.198) 5.612 21.443 ( -5.623 -0.090 -0.207) 5.627 ======================= Grid point 91 (48/49) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.091 4.637 0.026) 4.638 1.794 ( 0.115 -8.784 -0.038) 8.785 2.401 ( -0.128 1.382 -0.501) 1.476 2.403 ( 0.206 1.084 -0.541) 1.229 2.506 ( 0.101 4.416 0.287) 4.426 2.543 ( -0.117 1.743 -0.080) 1.749 2.593 ( 0.124 -0.813 0.702) 1.081 2.648 ( 0.104 -5.887 -0.459) 5.906 2.734 ( -0.306 1.772 -0.914) 2.017 2.758 ( 0.084 0.218 -0.438) 0.497 2.815 ( 0.378 3.380 -0.863) 3.509 2.845 ( 0.154 4.052 -0.127) 4.057 2.861 ( -0.520 -0.023 0.727) 0.894 2.892 ( -0.113 0.542 0.671) 0.869 3.001 ( 0.123 1.494 0.214) 1.514 3.018 ( -0.237 0.601 0.343) 0.731 3.174 ( 0.439 5.472 -0.222) 5.494 3.242 ( 0.522 0.158 -0.615) 0.822 3.280 ( -0.713 2.538 0.273) 2.650 3.311 ( 0.221 4.308 0.103) 4.315 3.363 ( 0.241 -4.566 -0.817) 4.645 3.466 ( -0.442 -9.060 1.814) 9.250 3.786 ( -0.438 0.628 0.371) 0.851 3.787 ( 0.139 0.377 0.408) 0.572 3.863 ( 0.415 3.497 0.531) 3.561 3.869 ( 0.312 3.309 0.124) 3.326 3.944 ( -0.766 3.091 -0.295) 3.198 3.962 ( 0.465 0.536 0.003) 0.709 4.285 ( -0.159 4.831 -0.699) 4.884 4.312 ( -0.169 2.280 -0.442) 2.328 4.685 ( 0.130 4.352 0.052) 4.354 4.724 ( -0.536 2.123 -0.012) 2.190 4.803 ( -0.603 4.715 0.863) 4.832 4.860 ( -0.906 -0.565 -1.104) 1.536 4.925 ( -0.731 6.374 0.109) 6.417 4.970 ( 2.644 1.558 0.869) 3.190 5.130 ( -0.079 3.650 0.521) 3.688 5.239 ( -0.122 -7.407 0.215) 7.411 5.407 ( 0.654 2.718 0.274) 2.809 5.419 ( -0.132 1.805 -0.184) 1.819 5.440 ( 1.137 4.685 -0.878) 4.900 5.500 ( 0.234 -0.197 -0.279) 0.414 5.563 ( -1.100 1.371 0.522) 1.833 5.589 ( -0.511 -1.435 -1.559) 2.179 5.708 ( -0.147 1.149 1.817) 2.155 5.729 ( 0.804 -0.363 0.295) 0.930 5.931 ( -0.177 4.631 -0.593) 4.672 5.967 ( -0.044 2.028 -1.023) 2.272 6.091 ( -0.564 4.373 4.176) 6.072 6.121 ( -1.219 -0.008 2.344) 2.642 6.194 ( 0.322 6.227 -3.901) 7.355 6.255 ( 1.359 2.820 -3.413) 4.631 6.293 ( -0.343 0.484 -0.961) 1.130 6.381 ( 1.145 -5.106 -3.649) 6.379 6.475 ( -0.763 2.897 -0.952) 3.143 6.573 ( -0.509 -5.624 -0.481) 5.668 6.693 ( -0.089 2.068 1.822) 2.758 6.715 ( 0.172 -0.133 0.492) 0.538 6.758 ( 1.828 2.526 2.257) 3.849 6.770 ( -1.529 1.570 1.454) 2.630 6.931 ( -0.762 3.025 -0.764) 3.212 6.954 ( 1.870 1.900 0.627) 2.738 7.055 ( 3.122 3.021 1.915) 4.748 7.076 ( -1.574 3.045 1.133) 3.610 7.097 ( -4.128 2.918 -0.034) 5.055 7.138 ( 2.671 2.549 0.508) 3.727 7.180 ( -2.986 0.315 0.570) 3.056 7.196 ( 1.512 0.961 1.941) 2.642 7.239 ( -2.086 1.034 0.034) 2.329 7.273 ( -0.192 -0.426 -0.884) 0.999 7.276 ( 1.543 -0.850 0.298) 1.786 7.310 ( -0.323 -3.330 -0.807) 3.441 7.385 ( -0.562 -0.948 -1.278) 1.687 7.461 ( -0.415 -4.888 0.173) 4.908 7.543 ( 0.566 4.922 -0.679) 5.000 7.625 ( 0.466 2.082 -1.272) 2.484 7.651 ( 3.178 0.858 0.769) 3.380 7.730 ( 0.268 -2.120 -0.020) 2.137 7.755 ( -2.454 2.064 -2.096) 3.831 7.799 ( 0.422 -0.246 0.737) 0.884 7.871 ( -0.336 2.396 -0.667) 2.509 7.995 ( 0.631 -1.732 0.035) 1.844 8.000 ( 0.289 -6.668 0.373) 6.684 8.047 ( -0.219 -2.350 -0.258) 2.374 8.165 ( -0.871 -2.151 0.129) 2.324 8.167 ( -0.676 -2.337 0.202) 2.441 8.243 ( -0.679 1.329 0.547) 1.589 8.274 ( 1.607 -2.042 -0.050) 2.599 8.575 ( -0.125 2.891 0.302) 2.909 8.587 ( 0.046 2.073 -0.592) 2.156 9.399 ( -0.614 -0.317 0.631) 0.936 9.416 ( 0.688 -1.735 -0.794) 2.029 9.808 ( -0.813 3.102 0.700) 3.282 9.820 ( 0.693 2.186 -0.290) 2.311 9.992 ( 0.108 -1.052 0.134) 1.066 10.006 ( -0.003 -2.073 -0.452) 2.122 10.408 ( 0.063 3.381 -0.133) 3.384 10.420 ( -0.089 2.238 0.129) 2.243 10.824 ( 0.066 1.160 0.088) 1.165 10.832 ( -0.058 0.153 0.006) 0.164 10.885 ( -0.122 8.181 -0.022) 8.182 10.888 ( 0.081 7.693 -0.033) 7.693 11.208 ( 0.090 1.621 -0.143) 1.630 11.210 ( -0.093 1.501 -0.134) 1.510 11.755 ( -0.323 1.496 2.893) 3.272 11.805 ( -0.152 -3.419 1.395) 3.696 11.952 ( 0.085 2.682 -1.311) 2.986 11.989 ( 0.414 -1.089 -2.756) 2.992 12.670 ( -0.003 -1.563 0.011) 1.563 12.681 ( 0.011 -2.540 -0.065) 2.541 13.021 ( -0.028 5.482 -0.006) 5.482 13.028 ( 0.014 4.722 0.129) 4.724 13.576 ( -0.017 7.380 -0.018) 7.380 13.588 ( -0.002 6.079 0.085) 6.079 14.390 ( 0.003 0.829 -0.045) 0.831 14.398 ( -0.009 0.147 0.137) 0.202 16.455 ( 0.013 5.000 -0.075) 5.001 16.481 ( -0.014 2.359 0.093) 2.361 17.435 ( -0.250 6.664 0.169) 6.671 17.448 ( 0.252 5.345 -0.193) 5.354 18.615 ( 0.045 -0.506 0.003) 0.508 18.617 ( -0.049 -0.686 0.009) 0.687 21.138 ( 0.086 0.405 0.022) 0.414 21.145 ( -0.093 -0.362 -0.019) 0.375 21.335 ( -0.022 1.492 0.243) 1.512 21.342 ( 0.030 0.763 -0.255) 0.805 ======================= Grid point 92 (49/49) ======================= q-point: (-0.25 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -1.810 4.388 0.188) 4.751 1.773 ( -1.635 -9.335 -0.282) 9.481 2.398 ( -0.052 1.460 -0.257) 1.483 2.403 ( 0.058 0.799 -0.813) 1.141 2.507 ( -0.042 4.748 0.078) 4.749 2.562 ( 1.432 0.668 0.361) 1.621 2.605 ( 0.506 -1.229 0.442) 1.400 2.644 ( -0.160 -4.716 -0.583) 4.755 2.744 ( 1.195 2.001 -0.584) 2.402 2.767 ( 0.694 1.119 -0.530) 1.420 2.829 ( 1.097 1.915 -0.680) 2.309 2.845 ( -0.039 1.609 0.471) 1.677 2.862 ( 0.766 2.427 -0.167) 2.551 2.890 ( -0.351 2.028 0.978) 2.279 2.969 ( -2.933 1.880 0.048) 3.484 3.009 ( -0.536 0.052 0.216) 0.580 3.153 ( -2.032 4.706 -0.553) 5.156 3.216 ( -3.880 0.478 0.622) 3.959 3.234 ( -0.983 1.680 -0.326) 1.974 3.309 ( -1.458 3.035 -0.270) 3.378 3.339 ( -0.984 -4.030 -0.720) 4.211 3.461 ( -0.463 -8.971 1.955) 9.193 3.774 ( 0.207 3.947 0.100) 3.954 3.812 ( 1.103 0.191 0.370) 1.179 3.896 ( 3.073 4.143 0.837) 5.226 3.912 ( 3.264 3.343 -0.791) 4.739 4.045 ( 6.752 1.496 -0.638) 6.945 4.058 ( 9.254 0.796 0.423) 9.298 4.301 ( 1.472 4.463 -0.050) 4.700 4.322 ( 0.833 2.410 -0.029) 2.550 4.601 ( -10.591 5.064 -0.013) 11.739 4.633 ( -11.574 3.126 1.046) 12.034 4.686 ( -0.607 4.067 0.247) 4.119 4.783 ( -1.347 -4.709 0.282) 4.905 4.998 ( 2.439 6.727 -0.086) 7.156 5.032 ( 1.647 2.997 -1.562) 3.760 5.167 ( 2.302 4.186 1.017) 4.885 5.277 ( 2.119 -6.341 0.576) 6.710 5.397 ( -1.400 3.945 -0.586) 4.227 5.399 ( -0.800 2.660 -0.109) 2.780 5.425 ( -1.102 0.191 -0.478) 1.216 5.456 ( -2.213 -1.343 -0.116) 2.591 5.578 ( 0.778 1.454 -0.461) 1.712 5.590 ( 1.330 0.888 0.030) 1.599 5.690 ( -1.919 2.607 1.536) 3.583 5.729 ( -0.613 -0.583 -1.360) 1.601 5.958 ( 1.601 3.655 -0.137) 3.993 5.979 ( 1.062 2.660 -0.853) 2.989 6.104 ( 0.257 3.563 2.200) 4.195 6.130 ( 1.760 2.611 1.926) 3.691 6.228 ( 3.003 3.287 -3.224) 5.497 6.281 ( 1.739 0.913 -1.968) 2.780 6.340 ( 3.751 0.275 -0.566) 3.803 6.393 ( 0.805 -3.435 -3.288) 4.822 6.457 ( -0.710 3.411 0.158) 3.488 6.543 ( -2.112 -3.968 -0.195) 4.499 6.709 ( 0.737 0.739 2.100) 2.345 6.727 ( 1.091 0.050 0.743) 1.321 6.812 ( 3.519 4.142 0.929) 5.514 6.840 ( 3.467 1.269 0.786) 3.775 6.893 ( -1.722 6.133 0.236) 6.375 6.941 ( -0.747 2.158 -1.348) 2.652 7.003 ( -2.542 -0.915 -0.127) 2.704 7.046 ( -2.596 -2.051 -0.682) 3.378 7.068 ( -3.743 3.869 4.598) 7.080 7.127 ( -2.272 -0.950 4.001) 4.698 7.136 ( 0.807 3.908 -0.000) 3.991 7.210 ( 0.597 -1.971 -0.418) 2.101 7.261 ( 0.355 2.215 -0.240) 2.256 7.290 ( 3.952 2.748 0.844) 4.887 7.311 ( -0.482 -2.333 -1.041) 2.600 7.371 ( 2.431 -2.399 1.194) 3.618 7.395 ( 2.998 1.976 -1.743) 3.991 7.475 ( 0.516 -3.998 0.625) 4.080 7.542 ( 0.362 4.416 -1.075) 4.559 7.608 ( -1.932 -0.837 -2.666) 3.397 7.681 ( 1.015 3.907 -2.741) 4.879 7.737 ( 0.262 -0.979 -1.637) 1.925 7.773 ( -0.252 0.200 0.345) 0.472 7.787 ( 3.049 -1.634 2.328) 4.170 7.889 ( 2.694 3.042 0.215) 4.070 7.973 ( -1.678 0.629 0.294) 1.816 8.018 ( 1.069 -2.450 -1.426) 3.030 8.061 ( 1.418 -3.659 1.113) 4.079 8.143 ( -0.034 -3.263 0.904) 3.386 8.160 ( 0.983 -3.917 -0.383) 4.056 8.285 ( 2.335 3.752 0.654) 4.467 8.348 ( 3.967 -1.929 -0.660) 4.460 8.488 ( -7.648 -0.042 0.867) 7.697 8.499 ( -7.680 -0.751 -0.935) 7.773 9.320 ( -5.287 0.317 0.092) 5.297 9.346 ( -5.333 -1.945 -0.351) 5.688 9.823 ( 0.960 5.817 0.881) 5.961 9.859 ( 1.692 4.265 -0.441) 4.610 9.977 ( -0.733 -3.086 0.459) 3.205 10.008 ( 0.446 -4.266 -0.731) 4.351 10.426 ( 1.311 2.303 -0.157) 2.655 10.434 ( 1.080 1.493 0.198) 1.854 10.830 ( 0.452 4.524 0.123) 4.548 10.842 ( 0.673 3.845 -0.120) 3.906 10.898 ( 1.203 5.536 0.206) 5.669 10.910 ( 1.491 5.006 -0.168) 5.226 11.198 ( -0.603 2.197 -0.207) 2.288 11.211 ( -0.100 1.287 -0.034) 1.291 11.758 ( -0.242 1.385 2.831) 3.161 11.805 ( -0.240 -3.103 1.467) 3.440 11.948 ( -0.028 2.721 -1.178) 2.966 11.990 ( 0.419 -1.582 -2.974) 3.395 12.668 ( -0.146 -1.458 0.027) 1.465 12.681 ( -0.006 -2.649 -0.074) 2.650 13.013 ( -0.605 5.375 0.049) 5.409 13.021 ( -0.591 4.528 0.081) 4.567 13.579 ( 0.225 7.473 0.017) 7.477 13.591 ( 0.174 6.194 0.048) 6.197 14.370 ( -1.501 0.894 -0.043) 1.747 14.379 ( -1.479 0.146 0.140) 1.493 16.462 ( 0.585 4.597 -0.082) 4.635 16.481 ( -0.054 2.638 0.098) 2.640 17.429 ( -0.224 6.829 0.135) 6.834 17.447 ( -0.200 4.976 -0.160) 4.982 18.618 ( 0.195 -0.393 -0.084) 0.446 18.621 ( 0.326 -0.761 0.100) 0.834 21.041 ( -5.535 0.890 0.087) 5.607 21.043 ( -5.666 0.678 -0.084) 5.707 21.432 ( 5.459 1.038 0.201) 5.560 21.443 ( 5.677 -0.092 -0.211) 5.681 =================== 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 3/19656 10.0 477.989 821.646 863.915 0.000 49.239 0.000 3/19656 20.0 61.399 146.727 98.831 0.000 2.524 0.000 3/19656 30.0 23.784 62.659 34.928 0.000 1.084 0.000 3/19656 40.0 13.105 36.136 18.340 0.000 0.637 0.000 3/19656 50.0 8.557 24.387 11.555 0.000 0.426 0.000 3/19656 60.0 6.173 18.080 8.102 0.000 0.309 0.000 3/19656 70.0 4.756 14.261 6.105 0.000 0.237 0.000 3/19656 80.0 3.839 11.746 4.844 0.000 0.190 0.000 3/19656 90.0 3.207 9.983 3.993 0.000 0.158 0.000 3/19656 100.0 2.749 8.688 3.387 0.000 0.134 0.000 3/19656 110.0 2.405 7.698 2.939 0.000 0.116 0.000 3/19656 120.0 2.137 6.920 2.595 0.000 0.103 0.000 3/19656 130.0 1.924 6.291 2.324 0.000 0.092 0.000 3/19656 140.0 1.751 5.773 2.105 0.000 0.083 0.000 3/19656 150.0 1.607 5.338 1.924 0.000 0.075 0.000 3/19656 160.0 1.486 4.968 1.773 0.000 0.069 0.000 3/19656 170.0 1.382 4.649 1.645 0.000 0.064 0.000 3/19656 180.0 1.293 4.371 1.535 0.000 0.060 0.000 3/19656 190.0 1.215 4.126 1.439 0.000 0.056 0.000 3/19656 200.0 1.146 3.909 1.355 0.000 0.053 0.000 3/19656 210.0 1.085 3.714 1.280 0.000 0.050 0.000 3/19656 220.0 1.030 3.539 1.214 0.000 0.047 0.000 3/19656 230.0 0.981 3.380 1.154 0.000 0.045 0.000 3/19656 240.0 0.937 3.236 1.100 0.000 0.043 0.000 3/19656 250.0 0.897 3.104 1.052 0.000 0.041 0.000 3/19656 260.0 0.860 2.982 1.007 0.000 0.039 0.000 3/19656 270.0 0.826 2.871 0.966 0.000 0.038 0.000 3/19656 280.0 0.795 2.767 0.929 0.000 0.036 0.000 3/19656 290.0 0.766 2.671 0.894 0.000 0.035 0.000 3/19656 300.0 0.740 2.581 0.862 0.000 0.034 0.000 3/19656 310.0 0.715 2.498 0.833 0.000 0.033 0.000 3/19656 320.0 0.692 2.419 0.805 0.000 0.031 0.000 3/19656 330.0 0.670 2.346 0.779 0.000 0.030 0.000 3/19656 340.0 0.650 2.277 0.755 0.000 0.030 0.000 3/19656 350.0 0.631 2.212 0.732 0.000 0.029 0.000 3/19656 360.0 0.613 2.151 0.711 0.000 0.028 0.000 3/19656 370.0 0.596 2.093 0.691 0.000 0.027 0.000 3/19656 380.0 0.580 2.038 0.672 0.000 0.026 0.000 3/19656 390.0 0.565 1.986 0.654 0.000 0.026 0.000 3/19656 400.0 0.550 1.936 0.637 0.000 0.025 0.000 3/19656 410.0 0.537 1.889 0.621 0.000 0.025 0.000 3/19656 420.0 0.524 1.844 0.606 0.000 0.024 0.000 3/19656 430.0 0.511 1.802 0.591 0.000 0.023 0.000 3/19656 440.0 0.500 1.761 0.577 0.000 0.023 0.000 3/19656 450.0 0.489 1.722 0.564 0.000 0.022 0.000 3/19656 460.0 0.478 1.685 0.551 0.000 0.022 0.000 3/19656 470.0 0.468 1.649 0.539 0.000 0.021 0.000 3/19656 480.0 0.458 1.615 0.528 0.000 0.021 0.000 3/19656 490.0 0.448 1.582 0.517 0.000 0.021 0.000 3/19656 500.0 0.439 1.551 0.506 0.000 0.020 0.000 3/19656 510.0 0.431 1.521 0.496 0.000 0.020 0.000 3/19656 520.0 0.422 1.491 0.486 0.000 0.019 0.000 3/19656 530.0 0.414 1.463 0.477 0.000 0.019 0.000 3/19656 540.0 0.407 1.436 0.468 0.000 0.019 0.000 3/19656 550.0 0.399 1.411 0.459 0.000 0.018 0.000 3/19656 560.0 0.392 1.385 0.451 0.000 0.018 0.000 3/19656 570.0 0.385 1.361 0.443 0.000 0.018 0.000 3/19656 580.0 0.379 1.338 0.435 0.000 0.017 0.000 3/19656 590.0 0.372 1.315 0.428 0.000 0.017 0.000 3/19656 600.0 0.366 1.294 0.420 0.000 0.017 0.000 3/19656 610.0 0.360 1.272 0.413 0.000 0.017 0.000 3/19656 620.0 0.354 1.252 0.407 0.000 0.016 0.000 3/19656 630.0 0.348 1.232 0.400 0.000 0.016 0.000 3/19656 640.0 0.343 1.213 0.394 0.000 0.016 0.000 3/19656 650.0 0.338 1.195 0.388 0.000 0.016 0.000 3/19656 660.0 0.333 1.177 0.382 0.000 0.015 0.000 3/19656 670.0 0.328 1.159 0.376 0.000 0.015 0.000 3/19656 680.0 0.323 1.142 0.370 0.000 0.015 0.000 3/19656 690.0 0.318 1.126 0.365 0.000 0.015 0.000 3/19656 700.0 0.314 1.110 0.360 0.000 0.015 0.000 3/19656 710.0 0.309 1.094 0.355 0.000 0.014 0.000 3/19656 720.0 0.305 1.079 0.350 0.000 0.014 0.000 3/19656 730.0 0.301 1.064 0.345 0.000 0.014 0.000 3/19656 740.0 0.297 1.050 0.340 0.000 0.014 0.000 3/19656 750.0 0.293 1.036 0.335 0.000 0.014 0.000 3/19656 760.0 0.289 1.022 0.331 0.000 0.013 0.000 3/19656 770.0 0.285 1.009 0.327 0.000 0.013 0.000 3/19656 780.0 0.281 0.996 0.322 0.000 0.013 0.000 3/19656 790.0 0.278 0.984 0.318 0.000 0.013 0.000 3/19656 800.0 0.274 0.971 0.314 0.000 0.013 0.000 3/19656 810.0 0.271 0.960 0.310 0.000 0.013 0.000 3/19656 820.0 0.268 0.948 0.307 0.000 0.012 0.000 3/19656 830.0 0.264 0.937 0.303 0.000 0.012 0.000 3/19656 840.0 0.261 0.925 0.299 0.000 0.012 0.000 3/19656 850.0 0.258 0.915 0.296 0.000 0.012 0.000 3/19656 860.0 0.255 0.904 0.292 0.000 0.012 0.000 3/19656 870.0 0.252 0.894 0.289 0.000 0.012 0.000 3/19656 880.0 0.249 0.883 0.286 0.000 0.012 0.000 3/19656 890.0 0.247 0.874 0.282 0.000 0.011 0.000 3/19656 900.0 0.244 0.864 0.279 0.000 0.011 0.000 3/19656 910.0 0.241 0.854 0.276 0.000 0.011 0.000 3/19656 920.0 0.239 0.845 0.273 0.000 0.011 0.000 3/19656 930.0 0.236 0.836 0.270 0.000 0.011 0.000 3/19656 940.0 0.234 0.827 0.267 0.000 0.011 0.000 3/19656 950.0 0.231 0.819 0.264 0.000 0.011 0.000 3/19656 960.0 0.229 0.810 0.262 0.000 0.011 0.000 3/19656 970.0 0.226 0.802 0.259 0.000 0.011 0.000 3/19656 980.0 0.224 0.794 0.256 0.000 0.010 0.000 3/19656 990.0 0.222 0.786 0.254 0.000 0.010 0.000 3/19656 1000.0 0.220 0.778 0.251 0.000 0.010 0.000 3/19656 Thermal conductivity related properties were written into "kappa-m4133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:11:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|