----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:55:34]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.866576700866773 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.166482677283904 0.000000000000000 7.495256423468507 Atomic positions (fractional): *1 K 0.69781072554545 0.79975262386942 0.28695760936703 39.098 2 K 0.30218927445455 0.20024737613058 0.71304239063297 39.098 3 K 0.30218927445455 0.29975262386942 0.21304239063297 39.098 4 K 0.69781072554545 0.70024737613058 0.78695760936703 39.098 *5 Na 0.77740076693340 0.40655772385503 0.97223384352627 22.990 6 Na 0.22259923306660 0.59344227614497 0.02776615647373 22.990 7 Na 0.77740076693340 0.09344227614497 0.47223384352628 22.990 8 Na 0.22259923306660 0.90655772385503 0.52776615647373 22.990 *9 Si 0.30328398042491 0.04860336507753 0.21685209024335 28.085 10 Si 0.30328398042491 0.45139663492247 0.71685209024335 28.085 11 Si 0.69671601957509 0.95139663492247 0.78314790975665 28.085 *12 Si 0.79690387148687 0.36914163963559 0.51451066407087 28.085 13 Si 0.79690387148687 0.13085836036441 0.01451066407087 28.085 14 Si 0.69671601957509 0.54860336507753 0.28314790975665 28.085 15 Si 0.20309612851313 0.63085836036441 0.48548933592913 28.085 16 Si 0.20309612851313 0.86914163963559 0.98548933592913 28.085 *17 O 0.37130068412707 0.56913897852866 0.33188587744513 15.999 *18 O 0.71696683644011 0.24226599372071 0.99155986640929 15.999 *19 O 0.24962211955172 0.07337126662555 0.41988297043623 15.999 20 O 0.62869931587293 0.43086102147134 0.66811412255487 15.999 *21 O 0.87412544791439 0.88451332269343 0.92954575258162 15.999 22 O 0.37130068412707 0.93086102147134 0.83188587744513 15.999 *23 O 0.75311731093420 0.43016769496621 0.32259465238898 15.999 24 O 0.24962211955172 0.42662873337445 0.91988297043623 15.999 25 O 0.28303316355989 0.75773400627929 0.00844013359071 15.999 26 O 0.75037788044828 0.57337126662555 0.08011702956377 15.999 27 O 0.24688268906580 0.93016769496621 0.17740534761102 15.999 28 O 0.87412544791439 0.61548667730657 0.42954575258162 15.999 29 O 0.12587455208560 0.11548667730657 0.07045424741838 15.999 30 O 0.28303316355989 0.74226599372071 0.50844013359071 15.999 31 O 0.12587455208560 0.38451332269344 0.57045424741838 15.999 32 O 0.75037788044828 0.92662873337445 0.58011702956377 15.999 33 O 0.71696683644011 0.25773400627929 0.49155986640929 15.999 34 O 0.24688268906580 0.56983230503379 0.67740534761102 15.999 35 O 0.62869931587293 0.06913897852866 0.16811412255487 15.999 36 O 0.75311731093420 0.06983230503378 0.82259465238898 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.866576700866773 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.166482677283904 0.000000000000000 7.495256423468507 Atomic positions (fractional): *1 K 0.69781072554545 0.79975262386942 0.28695760936703 39.098 > 1 2 K 0.30218927445455 0.20024737613058 0.71304239063297 39.098 > 2 3 K 0.30218927445455 0.29975262386942 0.21304239063297 39.098 > 3 4 K 0.69781072554545 0.70024737613058 0.78695760936703 39.098 > 4 *5 Na 0.77740076693340 0.40655772385503 0.97223384352627 22.990 > 5 6 Na 0.22259923306660 0.59344227614497 0.02776615647373 22.990 > 6 7 Na 0.77740076693340 0.09344227614497 0.47223384352628 22.990 > 7 8 Na 0.22259923306660 0.90655772385503 0.52776615647373 22.990 > 8 *9 Si 0.30328398042491 0.04860336507753 0.21685209024335 28.085 > 9 10 Si 0.30328398042491 0.45139663492247 0.71685209024335 28.085 > 10 11 Si 0.69671601957509 0.95139663492247 0.78314790975665 28.085 > 11 *12 Si 0.79690387148687 0.36914163963559 0.51451066407087 28.085 > 12 13 Si 0.79690387148687 0.13085836036441 0.01451066407087 28.085 > 13 14 Si 0.69671601957509 0.54860336507753 0.28314790975665 28.085 > 14 15 Si 0.20309612851313 0.63085836036441 0.48548933592913 28.085 > 15 16 Si 0.20309612851313 0.86914163963559 0.98548933592913 28.085 > 16 *17 O 0.37130068412707 0.56913897852866 0.33188587744513 15.999 > 17 *18 O 0.71696683644011 0.24226599372071 0.99155986640929 15.999 > 18 *19 O 0.24962211955172 0.07337126662555 0.41988297043623 15.999 > 19 20 O 0.62869931587293 0.43086102147134 0.66811412255487 15.999 > 20 *21 O 0.87412544791439 0.88451332269343 0.92954575258162 15.999 > 21 22 O 0.37130068412707 0.93086102147134 0.83188587744513 15.999 > 22 *23 O 0.75311731093420 0.43016769496621 0.32259465238898 15.999 > 23 24 O 0.24962211955172 0.42662873337445 0.91988297043623 15.999 > 24 25 O 0.28303316355989 0.75773400627929 0.00844013359071 15.999 > 25 26 O 0.75037788044828 0.57337126662555 0.08011702956377 15.999 > 26 27 O 0.24688268906580 0.93016769496621 0.17740534761102 15.999 > 27 28 O 0.87412544791439 0.61548667730657 0.42954575258162 15.999 > 28 29 O 0.12587455208560 0.11548667730657 0.07045424741838 15.999 > 29 30 O 0.28303316355989 0.74226599372071 0.50844013359071 15.999 > 30 31 O 0.12587455208560 0.38451332269344 0.57045424741838 15.999 > 31 32 O 0.75037788044828 0.92662873337445 0.58011702956377 15.999 > 32 33 O 0.71696683644011 0.25773400627929 0.49155986640929 15.999 > 33 34 O 0.24688268906580 0.56983230503379 0.67740534761102 15.999 > 34 35 O 0.62869931587293 0.06913897852866 0.16811412255487 15.999 > 35 36 O 0.75311731093420 0.06983230503378 0.82259465238898 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.733153401733546 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.332965354567808 0.000000000000000 14.990512846937014 Atomic positions (fractional): *1 K 0.34890536277272 0.79975262386942 0.14347880468351 39.098 > 1 2 K 0.84890536277272 0.79975262386942 0.14347880468351 39.098 > 1 3 K 0.34890536277272 0.79975262386942 0.64347880468351 39.098 > 1 4 K 0.84890536277272 0.79975262386942 0.64347880468351 39.098 > 1 5 K 0.15109463722728 0.20024737613058 0.35652119531649 39.098 > 2 6 K 0.65109463722728 0.20024737613058 0.35652119531649 39.098 > 2 7 K 0.15109463722728 0.20024737613058 0.85652119531649 39.098 > 2 8 K 0.65109463722728 0.20024737613058 0.85652119531649 39.098 > 2 9 K 0.15109463722728 0.29975262386942 0.10652119531649 39.098 > 3 10 K 0.65109463722728 0.29975262386942 0.10652119531649 39.098 > 3 11 K 0.15109463722728 0.29975262386942 0.60652119531649 39.098 > 3 12 K 0.65109463722728 0.29975262386942 0.60652119531649 39.098 > 3 13 K 0.34890536277272 0.70024737613058 0.39347880468351 39.098 > 4 14 K 0.84890536277272 0.70024737613058 0.39347880468351 39.098 > 4 15 K 0.34890536277272 0.70024737613058 0.89347880468351 39.098 > 4 16 K 0.84890536277272 0.70024737613058 0.89347880468351 39.098 > 4 *17 Na 0.38870038346670 0.40655772385503 0.48611692176314 22.990 > 5 18 Na 0.88870038346670 0.40655772385503 0.48611692176314 22.990 > 5 19 Na 0.38870038346670 0.40655772385503 0.98611692176314 22.990 > 5 20 Na 0.88870038346670 0.40655772385503 0.98611692176314 22.990 > 5 21 Na 0.11129961653330 0.59344227614497 0.01388307823686 22.990 > 6 22 Na 0.61129961653330 0.59344227614497 0.01388307823686 22.990 > 6 23 Na 0.11129961653330 0.59344227614497 0.51388307823686 22.990 > 6 24 Na 0.61129961653330 0.59344227614497 0.51388307823686 22.990 > 6 25 Na 0.38870038346670 0.09344227614497 0.23611692176314 22.990 > 7 26 Na 0.88870038346670 0.09344227614497 0.23611692176314 22.990 > 7 27 Na 0.38870038346670 0.09344227614497 0.73611692176314 22.990 > 7 28 Na 0.88870038346670 0.09344227614497 0.73611692176314 22.990 > 7 29 Na 0.11129961653330 0.90655772385503 0.26388307823686 22.990 > 8 30 Na 0.61129961653330 0.90655772385503 0.26388307823686 22.990 > 8 31 Na 0.11129961653330 0.90655772385503 0.76388307823686 22.990 > 8 32 Na 0.61129961653330 0.90655772385503 0.76388307823686 22.990 > 8 *33 Si 0.15164199021246 0.04860336507753 0.10842604512167 28.085 > 9 34 Si 0.65164199021246 0.04860336507753 0.10842604512167 28.085 > 9 35 Si 0.15164199021246 0.04860336507753 0.60842604512167 28.085 > 9 36 Si 0.65164199021246 0.04860336507753 0.60842604512167 28.085 > 9 37 Si 0.15164199021246 0.45139663492247 0.35842604512167 28.085 > 10 38 Si 0.65164199021246 0.45139663492247 0.35842604512167 28.085 > 10 39 Si 0.15164199021246 0.45139663492247 0.85842604512167 28.085 > 10 40 Si 0.65164199021246 0.45139663492247 0.85842604512167 28.085 > 10 41 Si 0.34835800978754 0.95139663492247 0.39157395487833 28.085 > 11 42 Si 0.84835800978754 0.95139663492247 0.39157395487833 28.085 > 11 43 Si 0.34835800978754 0.95139663492247 0.89157395487833 28.085 > 11 44 Si 0.84835800978754 0.95139663492247 0.89157395487833 28.085 > 11 *45 Si 0.39845193574344 0.36914163963559 0.25725533203543 28.085 > 12 46 Si 0.89845193574344 0.36914163963559 0.25725533203543 28.085 > 12 47 Si 0.39845193574344 0.36914163963559 0.75725533203543 28.085 > 12 48 Si 0.89845193574344 0.36914163963559 0.75725533203543 28.085 > 12 49 Si 0.39845193574344 0.13085836036441 0.00725533203543 28.085 > 13 50 Si 0.89845193574344 0.13085836036441 0.00725533203543 28.085 > 13 51 Si 0.39845193574344 0.13085836036441 0.50725533203543 28.085 > 13 52 Si 0.89845193574344 0.13085836036441 0.50725533203543 28.085 > 13 53 Si 0.34835800978754 0.54860336507753 0.14157395487833 28.085 > 14 54 Si 0.84835800978754 0.54860336507753 0.14157395487833 28.085 > 14 55 Si 0.34835800978754 0.54860336507753 0.64157395487833 28.085 > 14 56 Si 0.84835800978754 0.54860336507753 0.64157395487833 28.085 > 14 57 Si 0.10154806425656 0.63085836036441 0.24274466796457 28.085 > 15 58 Si 0.60154806425656 0.63085836036441 0.24274466796457 28.085 > 15 59 Si 0.10154806425656 0.63085836036441 0.74274466796457 28.085 > 15 60 Si 0.60154806425656 0.63085836036441 0.74274466796457 28.085 > 15 61 Si 0.10154806425656 0.86914163963559 0.49274466796457 28.085 > 16 62 Si 0.60154806425656 0.86914163963559 0.49274466796457 28.085 > 16 63 Si 0.10154806425656 0.86914163963559 0.99274466796457 28.085 > 16 64 Si 0.60154806425656 0.86914163963559 0.99274466796457 28.085 > 16 *65 O 0.18565034206353 0.56913897852866 0.16594293872256 15.999 > 17 66 O 0.68565034206353 0.56913897852866 0.16594293872256 15.999 > 17 67 O 0.18565034206353 0.56913897852866 0.66594293872256 15.999 > 17 68 O 0.68565034206353 0.56913897852866 0.66594293872256 15.999 > 17 *69 O 0.35848341822005 0.24226599372071 0.49577993320465 15.999 > 18 70 O 0.85848341822005 0.24226599372071 0.49577993320465 15.999 > 18 71 O 0.35848341822005 0.24226599372071 0.99577993320465 15.999 > 18 72 O 0.85848341822005 0.24226599372071 0.99577993320465 15.999 > 18 *73 O 0.12481105977586 0.07337126662555 0.20994148521812 15.999 > 19 74 O 0.62481105977586 0.07337126662555 0.20994148521812 15.999 > 19 75 O 0.12481105977586 0.07337126662555 0.70994148521812 15.999 > 19 76 O 0.62481105977586 0.07337126662555 0.70994148521812 15.999 > 19 77 O 0.31434965793647 0.43086102147134 0.33405706127744 15.999 > 20 78 O 0.81434965793647 0.43086102147134 0.33405706127744 15.999 > 20 79 O 0.31434965793647 0.43086102147134 0.83405706127744 15.999 > 20 80 O 0.81434965793647 0.43086102147134 0.83405706127744 15.999 > 20 *81 O 0.43706272395720 0.88451332269343 0.46477287629081 15.999 > 21 82 O 0.93706272395720 0.88451332269343 0.46477287629081 15.999 > 21 83 O 0.43706272395720 0.88451332269343 0.96477287629081 15.999 > 21 84 O 0.93706272395720 0.88451332269343 0.96477287629081 15.999 > 21 85 O 0.18565034206353 0.93086102147134 0.41594293872256 15.999 > 22 86 O 0.68565034206353 0.93086102147134 0.41594293872256 15.999 > 22 87 O 0.18565034206353 0.93086102147134 0.91594293872256 15.999 > 22 88 O 0.68565034206353 0.93086102147134 0.91594293872256 15.999 > 22 *89 O 0.37655865546710 0.43016769496621 0.16129732619449 15.999 > 23 90 O 0.87655865546710 0.43016769496621 0.16129732619449 15.999 > 23 91 O 0.37655865546710 0.43016769496621 0.66129732619449 15.999 > 23 92 O 0.87655865546710 0.43016769496621 0.66129732619449 15.999 > 23 93 O 0.12481105977586 0.42662873337445 0.45994148521812 15.999 > 24 94 O 0.62481105977586 0.42662873337445 0.45994148521812 15.999 > 24 95 O 0.12481105977586 0.42662873337445 0.95994148521812 15.999 > 24 96 O 0.62481105977586 0.42662873337445 0.95994148521812 15.999 > 24 97 O 0.14151658177995 0.75773400627929 0.00422006679535 15.999 > 25 98 O 0.64151658177995 0.75773400627929 0.00422006679535 15.999 > 25 99 O 0.14151658177995 0.75773400627929 0.50422006679535 15.999 > 25 100 O 0.64151658177995 0.75773400627929 0.50422006679535 15.999 > 25 101 O 0.37518894022414 0.57337126662555 0.04005851478188 15.999 > 26 102 O 0.87518894022414 0.57337126662555 0.04005851478188 15.999 > 26 103 O 0.37518894022414 0.57337126662555 0.54005851478188 15.999 > 26 104 O 0.87518894022414 0.57337126662555 0.54005851478188 15.999 > 26 105 O 0.12344134453290 0.93016769496621 0.08870267380551 15.999 > 27 106 O 0.62344134453290 0.93016769496621 0.08870267380551 15.999 > 27 107 O 0.12344134453290 0.93016769496621 0.58870267380551 15.999 > 27 108 O 0.62344134453290 0.93016769496621 0.58870267380551 15.999 > 27 109 O 0.43706272395720 0.61548667730657 0.21477287629081 15.999 > 28 110 O 0.93706272395720 0.61548667730657 0.21477287629081 15.999 > 28 111 O 0.43706272395720 0.61548667730657 0.71477287629081 15.999 > 28 112 O 0.93706272395720 0.61548667730657 0.71477287629081 15.999 > 28 113 O 0.06293727604280 0.11548667730657 0.03522712370919 15.999 > 29 114 O 0.56293727604280 0.11548667730657 0.03522712370919 15.999 > 29 115 O 0.06293727604280 0.11548667730657 0.53522712370919 15.999 > 29 116 O 0.56293727604280 0.11548667730657 0.53522712370919 15.999 > 29 117 O 0.14151658177995 0.74226599372071 0.25422006679535 15.999 > 30 118 O 0.64151658177995 0.74226599372071 0.25422006679535 15.999 > 30 119 O 0.14151658177995 0.74226599372071 0.75422006679535 15.999 > 30 120 O 0.64151658177995 0.74226599372071 0.75422006679535 15.999 > 30 121 O 0.06293727604280 0.38451332269344 0.28522712370919 15.999 > 31 122 O 0.56293727604280 0.38451332269344 0.28522712370919 15.999 > 31 123 O 0.06293727604280 0.38451332269344 0.78522712370919 15.999 > 31 124 O 0.56293727604280 0.38451332269344 0.78522712370919 15.999 > 31 125 O 0.37518894022414 0.92662873337445 0.29005851478188 15.999 > 32 126 O 0.87518894022414 0.92662873337445 0.29005851478188 15.999 > 32 127 O 0.37518894022414 0.92662873337445 0.79005851478188 15.999 > 32 128 O 0.87518894022414 0.92662873337445 0.79005851478188 15.999 > 32 129 O 0.35848341822005 0.25773400627929 0.24577993320465 15.999 > 33 130 O 0.85848341822005 0.25773400627929 0.24577993320465 15.999 > 33 131 O 0.35848341822005 0.25773400627929 0.74577993320465 15.999 > 33 132 O 0.85848341822005 0.25773400627929 0.74577993320465 15.999 > 33 133 O 0.12344134453290 0.56983230503379 0.33870267380551 15.999 > 34 134 O 0.62344134453290 0.56983230503379 0.33870267380551 15.999 > 34 135 O 0.12344134453290 0.56983230503379 0.83870267380551 15.999 > 34 136 O 0.62344134453290 0.56983230503379 0.83870267380551 15.999 > 34 137 O 0.31434965793647 0.06913897852866 0.08405706127744 15.999 > 35 138 O 0.81434965793647 0.06913897852866 0.08405706127744 15.999 > 35 139 O 0.31434965793647 0.06913897852866 0.58405706127744 15.999 > 35 140 O 0.81434965793647 0.06913897852866 0.58405706127744 15.999 > 35 141 O 0.37655865546710 0.06983230503378 0.41129732619449 15.999 > 36 142 O 0.87655865546710 0.06983230503378 0.41129732619449 15.999 > 36 143 O 0.37655865546710 0.06983230503378 0.91129732619449 15.999 > 36 144 O 0.87655865546710 0.06983230503378 0.91129732619449 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5302666 0.0000000 0.0080249 0.0000000 2.5035703 0.0000000 0.0080266 0.0000000 2.5121054 -------------------------- Born effective charges -------------------------- 1 K 1.1857135 -0.0040936 0.0021096 0.0029364 1.2241413 -0.1192837 0.0112476 -0.0475972 1.2439056 2 K 1.1857135 -0.0040936 0.0021096 0.0029364 1.2241413 -0.1192837 0.0112476 -0.0475972 1.2439056 3 K 1.1857135 0.0040936 0.0021096 -0.0029364 1.2241413 0.1192837 0.0112476 0.0475972 1.2439056 4 K 1.1857135 0.0040936 0.0021096 -0.0029364 1.2241413 0.1192837 0.0112476 0.0475972 1.2439056 5 Na 1.0346445 -0.0051349 0.0106153 0.0161729 1.0652202 0.0334931 -0.0032601 0.0567262 1.1304070 6 Na 1.0346445 -0.0051349 0.0106153 0.0161729 1.0652202 0.0334931 -0.0032601 0.0567262 1.1304070 7 Na 1.0346445 0.0051349 0.0106153 -0.0161729 1.0652202 -0.0334931 -0.0032601 -0.0567262 1.1304070 8 Na 1.0346445 0.0051349 0.0106153 -0.0161729 1.0652202 -0.0334931 -0.0032601 -0.0567262 1.1304070 9 Si 3.0889930 -0.1023225 0.1582374 0.1676536 2.7814255 0.0823867 -0.1655506 0.1745325 2.9600209 10 Si 3.0889930 0.1023225 0.1582374 -0.1676536 2.7814255 -0.0823867 -0.1655506 -0.1745325 2.9600209 11 Si 3.0889930 -0.1023225 0.1582374 0.1676536 2.7814255 0.0823867 -0.1655506 0.1745325 2.9600209 12 Si 3.1554261 -0.1025744 -0.0931114 0.1603184 2.9677202 -0.1727046 0.2128613 0.0569302 2.6600197 13 Si 3.1554261 0.1025744 -0.0931114 -0.1603184 2.9677202 0.1727046 0.2128613 -0.0569302 2.6600197 14 Si 3.0889930 0.1023225 0.1582374 -0.1676536 2.7814255 -0.0823867 -0.1655506 -0.1745325 2.9600209 15 Si 3.1554261 -0.1025744 -0.0931114 0.1603184 2.9677202 -0.1727046 0.2128613 0.0569302 2.6600197 16 Si 3.1554261 0.1025744 -0.0931114 -0.1603184 2.9677202 0.1727046 0.2128613 -0.0569302 2.6600197 17 O -2.2790288 0.4524028 0.6343161 0.3885023 -1.2578699 -0.2193229 0.5273583 -0.2819708 -1.5431492 18 O -1.3930290 0.0822087 0.0120438 0.1551409 -1.9092992 0.0302601 -0.0344801 0.0735990 -1.2937608 19 O -1.3496818 0.0265835 0.0429763 0.0067173 -1.3206781 -0.1640217 0.0967976 -0.1218182 -1.9420454 20 O -2.2790288 0.4524028 0.6343161 0.3885023 -1.2578699 -0.2193229 0.5273583 -0.2819708 -1.5431492 21 O -2.3247769 0.4707620 -0.6519389 0.3338764 -1.3701361 0.2801774 -0.5488550 0.2907161 -1.4490346 22 O -2.2790288 -0.4524028 0.6343161 -0.3885023 -1.2578699 0.2193229 0.5273583 0.2819708 -1.5431492 23 O -1.1182604 0.1431515 -0.1152481 0.1116993 -2.1805239 0.6058421 -0.0961190 0.5936705 -1.7663632 24 O -1.3496818 -0.0265835 0.0429763 -0.0067173 -1.3206781 0.1640217 0.0967976 0.1218182 -1.9420454 25 O -1.3930290 0.0822087 0.0120438 0.1551409 -1.9092992 0.0302601 -0.0344801 0.0735990 -1.2937608 26 O -1.3496818 -0.0265835 0.0429763 -0.0067173 -1.3206781 0.1640217 0.0967976 0.1218182 -1.9420454 27 O -1.1182604 -0.1431515 -0.1152481 -0.1116993 -2.1805239 -0.6058421 -0.0961190 -0.5936705 -1.7663632 28 O -2.3247769 -0.4707620 -0.6519389 -0.3338764 -1.3701361 -0.2801774 -0.5488550 -0.2907161 -1.4490346 29 O -2.3247769 0.4707620 -0.6519389 0.3338764 -1.3701361 0.2801774 -0.5488550 0.2907161 -1.4490346 30 O -1.3930290 -0.0822087 0.0120438 -0.1551409 -1.9092992 -0.0302601 -0.0344801 -0.0735990 -1.2937608 31 O -2.3247769 -0.4707620 -0.6519389 -0.3338764 -1.3701361 -0.2801774 -0.5488550 -0.2907161 -1.4490346 32 O -1.3496818 0.0265835 0.0429763 0.0067173 -1.3206781 -0.1640217 0.0967976 -0.1218182 -1.9420454 33 O -1.3930290 -0.0822087 0.0120438 -0.1551409 -1.9092992 -0.0302601 -0.0344801 -0.0735990 -1.2937608 34 O -1.1182604 0.1431515 -0.1152481 0.1116993 -2.1805239 0.6058421 -0.0961190 0.5936705 -1.7663632 35 O -2.2790288 -0.4524028 0.6343161 -0.3885023 -1.2578699 0.2193229 0.5273583 0.2819708 -1.5431492 36 O -1.1182604 -0.1431515 -0.1152481 -0.1116993 -2.1805239 -0.6058421 -0.0961190 -0.5936705 -1.7663632 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 29), data: (1296, 47) @ (47, 29) |-- (296, 283), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 29), data: (1296, 47) @ (47, 29) |-- (296, 283), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 2.111 Solver_block: 200 / 1120 - Time: 1.928 Solver_block: 300 / 1120 - Time: 1.959 Solver_block: 400 / 1120 - Time: 1.953 Solver_block: 500 / 1120 - Time: 1.957 Solver_block: 600 / 1120 - Time: 1.955 Solver_block: 700 / 1120 - Time: 1.964 Solver_block: 800 / 1120 - Time: 1.950 Solver_block: 900 / 1120 - Time: 1.956 Solver_block: 1000 / 1120 - Time: 1.955 Solver_block: 1100 / 1120 - Time: 1.960 Solver_block: 1120 / 1120 - Time: 0.531 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.755 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 29), data: (1296, 47) @ (47, 29) |-- (296, 283), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 29), data: (1296, 47) @ (47, 29) |-- (296, 283), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:56:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:56:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.866576700866773 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.166482677283904 0.000000000000000 7.495256423468507 Atomic positions (fractional): 1 K 0.69781072554545 0.79975262386942 0.28695760936703 39.098 2 K 0.30218927445455 0.20024737613058 0.71304239063297 39.098 3 K 0.30218927445455 0.29975262386942 0.21304239063297 39.098 4 K 0.69781072554545 0.70024737613058 0.78695760936703 39.098 5 Na 0.77740076693340 0.40655772385503 0.97223384352627 22.990 6 Na 0.22259923306660 0.59344227614497 0.02776615647373 22.990 7 Na 0.77740076693340 0.09344227614497 0.47223384352628 22.990 8 Na 0.22259923306660 0.90655772385503 0.52776615647373 22.990 9 Si 0.30328398042491 0.04860336507753 0.21685209024335 28.085 10 Si 0.30328398042491 0.45139663492247 0.71685209024335 28.085 11 Si 0.69671601957509 0.95139663492247 0.78314790975665 28.085 12 Si 0.79690387148687 0.36914163963559 0.51451066407087 28.085 13 Si 0.79690387148687 0.13085836036441 0.01451066407087 28.085 14 Si 0.69671601957509 0.54860336507753 0.28314790975665 28.085 15 Si 0.20309612851313 0.63085836036441 0.48548933592913 28.085 16 Si 0.20309612851313 0.86914163963559 0.98548933592913 28.085 17 O 0.37130068412707 0.56913897852866 0.33188587744513 15.999 18 O 0.71696683644011 0.24226599372071 0.99155986640929 15.999 19 O 0.24962211955172 0.07337126662555 0.41988297043623 15.999 20 O 0.62869931587293 0.43086102147134 0.66811412255487 15.999 21 O 0.87412544791439 0.88451332269343 0.92954575258162 15.999 22 O 0.37130068412707 0.93086102147134 0.83188587744513 15.999 23 O 0.75311731093420 0.43016769496621 0.32259465238898 15.999 24 O 0.24962211955172 0.42662873337445 0.91988297043623 15.999 25 O 0.28303316355989 0.75773400627929 0.00844013359071 15.999 26 O 0.75037788044828 0.57337126662555 0.08011702956377 15.999 27 O 0.24688268906580 0.93016769496621 0.17740534761102 15.999 28 O 0.87412544791439 0.61548667730657 0.42954575258162 15.999 29 O 0.12587455208560 0.11548667730657 0.07045424741838 15.999 30 O 0.28303316355989 0.74226599372071 0.50844013359071 15.999 31 O 0.12587455208560 0.38451332269344 0.57045424741838 15.999 32 O 0.75037788044828 0.92662873337445 0.58011702956377 15.999 33 O 0.71696683644011 0.25773400627929 0.49155986640929 15.999 34 O 0.24688268906580 0.56983230503379 0.67740534761102 15.999 35 O 0.62869931587293 0.06913897852866 0.16811412255487 15.999 36 O 0.75311731093420 0.06983230503378 0.82259465238898 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.733153401733546 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.332965354567808 0.000000000000000 14.990512846937014 Atomic positions (fractional): 1 K 0.34890536277272 0.79975262386942 0.14347880468351 39.098 > 1 2 K 0.84890536277272 0.79975262386942 0.14347880468351 39.098 > 1 3 K 0.34890536277272 0.79975262386942 0.64347880468351 39.098 > 1 4 K 0.84890536277272 0.79975262386942 0.64347880468351 39.098 > 1 5 K 0.15109463722728 0.20024737613058 0.35652119531649 39.098 > 5 6 K 0.65109463722728 0.20024737613058 0.35652119531649 39.098 > 5 7 K 0.15109463722728 0.20024737613058 0.85652119531649 39.098 > 5 8 K 0.65109463722728 0.20024737613058 0.85652119531649 39.098 > 5 9 K 0.15109463722728 0.29975262386942 0.10652119531649 39.098 > 9 10 K 0.65109463722728 0.29975262386942 0.10652119531649 39.098 > 9 11 K 0.15109463722728 0.29975262386942 0.60652119531649 39.098 > 9 12 K 0.65109463722728 0.29975262386942 0.60652119531649 39.098 > 9 13 K 0.34890536277272 0.70024737613058 0.39347880468351 39.098 > 13 14 K 0.84890536277272 0.70024737613058 0.39347880468351 39.098 > 13 15 K 0.34890536277272 0.70024737613058 0.89347880468351 39.098 > 13 16 K 0.84890536277272 0.70024737613058 0.89347880468351 39.098 > 13 17 Na 0.38870038346670 0.40655772385503 0.48611692176314 22.990 > 17 18 Na 0.88870038346670 0.40655772385503 0.48611692176314 22.990 > 17 19 Na 0.38870038346670 0.40655772385503 0.98611692176314 22.990 > 17 20 Na 0.88870038346670 0.40655772385503 0.98611692176314 22.990 > 17 21 Na 0.11129961653330 0.59344227614497 0.01388307823686 22.990 > 21 22 Na 0.61129961653330 0.59344227614497 0.01388307823686 22.990 > 21 23 Na 0.11129961653330 0.59344227614497 0.51388307823686 22.990 > 21 24 Na 0.61129961653330 0.59344227614497 0.51388307823686 22.990 > 21 25 Na 0.38870038346670 0.09344227614497 0.23611692176314 22.990 > 25 26 Na 0.88870038346670 0.09344227614497 0.23611692176314 22.990 > 25 27 Na 0.38870038346670 0.09344227614497 0.73611692176314 22.990 > 25 28 Na 0.88870038346670 0.09344227614497 0.73611692176314 22.990 > 25 29 Na 0.11129961653330 0.90655772385503 0.26388307823686 22.990 > 29 30 Na 0.61129961653330 0.90655772385503 0.26388307823686 22.990 > 29 31 Na 0.11129961653330 0.90655772385503 0.76388307823686 22.990 > 29 32 Na 0.61129961653330 0.90655772385503 0.76388307823686 22.990 > 29 33 Si 0.15164199021246 0.04860336507753 0.10842604512167 28.085 > 33 34 Si 0.65164199021246 0.04860336507753 0.10842604512167 28.085 > 33 35 Si 0.15164199021246 0.04860336507753 0.60842604512167 28.085 > 33 36 Si 0.65164199021246 0.04860336507753 0.60842604512167 28.085 > 33 37 Si 0.15164199021246 0.45139663492247 0.35842604512167 28.085 > 37 38 Si 0.65164199021246 0.45139663492247 0.35842604512167 28.085 > 37 39 Si 0.15164199021246 0.45139663492247 0.85842604512167 28.085 > 37 40 Si 0.65164199021246 0.45139663492247 0.85842604512167 28.085 > 37 41 Si 0.34835800978754 0.95139663492247 0.39157395487833 28.085 > 41 42 Si 0.84835800978754 0.95139663492247 0.39157395487833 28.085 > 41 43 Si 0.34835800978754 0.95139663492247 0.89157395487833 28.085 > 41 44 Si 0.84835800978754 0.95139663492247 0.89157395487833 28.085 > 41 45 Si 0.39845193574344 0.36914163963559 0.25725533203543 28.085 > 45 46 Si 0.89845193574344 0.36914163963559 0.25725533203543 28.085 > 45 47 Si 0.39845193574344 0.36914163963559 0.75725533203543 28.085 > 45 48 Si 0.89845193574344 0.36914163963559 0.75725533203543 28.085 > 45 49 Si 0.39845193574344 0.13085836036441 0.00725533203543 28.085 > 49 50 Si 0.89845193574344 0.13085836036441 0.00725533203543 28.085 > 49 51 Si 0.39845193574344 0.13085836036441 0.50725533203543 28.085 > 49 52 Si 0.89845193574344 0.13085836036441 0.50725533203543 28.085 > 49 53 Si 0.34835800978754 0.54860336507753 0.14157395487833 28.085 > 53 54 Si 0.84835800978754 0.54860336507753 0.14157395487833 28.085 > 53 55 Si 0.34835800978754 0.54860336507753 0.64157395487833 28.085 > 53 56 Si 0.84835800978754 0.54860336507753 0.64157395487833 28.085 > 53 57 Si 0.10154806425656 0.63085836036441 0.24274466796457 28.085 > 57 58 Si 0.60154806425656 0.63085836036441 0.24274466796457 28.085 > 57 59 Si 0.10154806425656 0.63085836036441 0.74274466796457 28.085 > 57 60 Si 0.60154806425656 0.63085836036441 0.74274466796457 28.085 > 57 61 Si 0.10154806425656 0.86914163963559 0.49274466796457 28.085 > 61 62 Si 0.60154806425656 0.86914163963559 0.49274466796457 28.085 > 61 63 Si 0.10154806425656 0.86914163963559 0.99274466796457 28.085 > 61 64 Si 0.60154806425656 0.86914163963559 0.99274466796457 28.085 > 61 65 O 0.18565034206353 0.56913897852866 0.16594293872256 15.999 > 65 66 O 0.68565034206353 0.56913897852866 0.16594293872256 15.999 > 65 67 O 0.18565034206353 0.56913897852866 0.66594293872256 15.999 > 65 68 O 0.68565034206353 0.56913897852866 0.66594293872256 15.999 > 65 69 O 0.35848341822005 0.24226599372071 0.49577993320465 15.999 > 69 70 O 0.85848341822005 0.24226599372071 0.49577993320465 15.999 > 69 71 O 0.35848341822005 0.24226599372071 0.99577993320465 15.999 > 69 72 O 0.85848341822005 0.24226599372071 0.99577993320465 15.999 > 69 73 O 0.12481105977586 0.07337126662555 0.20994148521812 15.999 > 73 74 O 0.62481105977586 0.07337126662555 0.20994148521812 15.999 > 73 75 O 0.12481105977586 0.07337126662555 0.70994148521812 15.999 > 73 76 O 0.62481105977586 0.07337126662555 0.70994148521812 15.999 > 73 77 O 0.31434965793647 0.43086102147134 0.33405706127744 15.999 > 77 78 O 0.81434965793647 0.43086102147134 0.33405706127744 15.999 > 77 79 O 0.31434965793647 0.43086102147134 0.83405706127744 15.999 > 77 80 O 0.81434965793647 0.43086102147134 0.83405706127744 15.999 > 77 81 O 0.43706272395720 0.88451332269343 0.46477287629081 15.999 > 81 82 O 0.93706272395720 0.88451332269343 0.46477287629081 15.999 > 81 83 O 0.43706272395720 0.88451332269343 0.96477287629081 15.999 > 81 84 O 0.93706272395720 0.88451332269343 0.96477287629081 15.999 > 81 85 O 0.18565034206353 0.93086102147134 0.41594293872256 15.999 > 85 86 O 0.68565034206353 0.93086102147134 0.41594293872256 15.999 > 85 87 O 0.18565034206353 0.93086102147134 0.91594293872256 15.999 > 85 88 O 0.68565034206353 0.93086102147134 0.91594293872256 15.999 > 85 89 O 0.37655865546710 0.43016769496621 0.16129732619449 15.999 > 89 90 O 0.87655865546710 0.43016769496621 0.16129732619449 15.999 > 89 91 O 0.37655865546710 0.43016769496621 0.66129732619449 15.999 > 89 92 O 0.87655865546710 0.43016769496621 0.66129732619449 15.999 > 89 93 O 0.12481105977586 0.42662873337445 0.45994148521812 15.999 > 93 94 O 0.62481105977586 0.42662873337445 0.45994148521812 15.999 > 93 95 O 0.12481105977586 0.42662873337445 0.95994148521812 15.999 > 93 96 O 0.62481105977586 0.42662873337445 0.95994148521812 15.999 > 93 97 O 0.14151658177995 0.75773400627929 0.00422006679535 15.999 > 97 98 O 0.64151658177995 0.75773400627929 0.00422006679535 15.999 > 97 99 O 0.14151658177995 0.75773400627929 0.50422006679535 15.999 > 97 100 O 0.64151658177995 0.75773400627929 0.50422006679535 15.999 > 97 101 O 0.37518894022414 0.57337126662555 0.04005851478188 15.999 > 101 102 O 0.87518894022414 0.57337126662555 0.04005851478188 15.999 > 101 103 O 0.37518894022414 0.57337126662555 0.54005851478188 15.999 > 101 104 O 0.87518894022414 0.57337126662555 0.54005851478188 15.999 > 101 105 O 0.12344134453290 0.93016769496621 0.08870267380551 15.999 > 105 106 O 0.62344134453290 0.93016769496621 0.08870267380551 15.999 > 105 107 O 0.12344134453290 0.93016769496621 0.58870267380551 15.999 > 105 108 O 0.62344134453290 0.93016769496621 0.58870267380551 15.999 > 105 109 O 0.43706272395720 0.61548667730657 0.21477287629081 15.999 > 109 110 O 0.93706272395720 0.61548667730657 0.21477287629081 15.999 > 109 111 O 0.43706272395720 0.61548667730657 0.71477287629081 15.999 > 109 112 O 0.93706272395720 0.61548667730657 0.71477287629081 15.999 > 109 113 O 0.06293727604280 0.11548667730657 0.03522712370919 15.999 > 113 114 O 0.56293727604280 0.11548667730657 0.03522712370919 15.999 > 113 115 O 0.06293727604280 0.11548667730657 0.53522712370919 15.999 > 113 116 O 0.56293727604280 0.11548667730657 0.53522712370919 15.999 > 113 117 O 0.14151658177995 0.74226599372071 0.25422006679535 15.999 > 117 118 O 0.64151658177995 0.74226599372071 0.25422006679535 15.999 > 117 119 O 0.14151658177995 0.74226599372071 0.75422006679535 15.999 > 117 120 O 0.64151658177995 0.74226599372071 0.75422006679535 15.999 > 117 121 O 0.06293727604280 0.38451332269344 0.28522712370919 15.999 > 121 122 O 0.56293727604280 0.38451332269344 0.28522712370919 15.999 > 121 123 O 0.06293727604280 0.38451332269344 0.78522712370919 15.999 > 121 124 O 0.56293727604280 0.38451332269344 0.78522712370919 15.999 > 121 125 O 0.37518894022414 0.92662873337445 0.29005851478188 15.999 > 125 126 O 0.87518894022414 0.92662873337445 0.29005851478188 15.999 > 125 127 O 0.37518894022414 0.92662873337445 0.79005851478188 15.999 > 125 128 O 0.87518894022414 0.92662873337445 0.79005851478188 15.999 > 125 129 O 0.35848341822005 0.25773400627929 0.24577993320465 15.999 > 129 130 O 0.85848341822005 0.25773400627929 0.24577993320465 15.999 > 129 131 O 0.35848341822005 0.25773400627929 0.74577993320465 15.999 > 129 132 O 0.85848341822005 0.25773400627929 0.74577993320465 15.999 > 129 133 O 0.12344134453290 0.56983230503379 0.33870267380551 15.999 > 133 134 O 0.62344134453290 0.56983230503379 0.33870267380551 15.999 > 133 135 O 0.12344134453290 0.56983230503379 0.83870267380551 15.999 > 133 136 O 0.62344134453290 0.56983230503379 0.83870267380551 15.999 > 133 137 O 0.31434965793647 0.06913897852866 0.08405706127744 15.999 > 137 138 O 0.81434965793647 0.06913897852866 0.08405706127744 15.999 > 137 139 O 0.31434965793647 0.06913897852866 0.58405706127744 15.999 > 137 140 O 0.81434965793647 0.06913897852866 0.58405706127744 15.999 > 137 141 O 0.37655865546710 0.06983230503378 0.41129732619449 15.999 > 141 142 O 0.87655865546710 0.06983230503378 0.41129732619449 15.999 > 141 143 O 0.37655865546710 0.06983230503378 0.91129732619449 15.999 > 141 144 O 0.87655865546710 0.06983230503378 0.91129732619449 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5302666 0.0000000 0.0080249 0.0000000 2.5035703 0.0000000 0.0080266 0.0000000 2.5121054 -------------------------- Born effective charges -------------------------- 1 K 1.1857135 -0.0040936 0.0021096 0.0029364 1.2241413 -0.1192837 0.0112476 -0.0475972 1.2439056 2 K 1.1857135 -0.0040936 0.0021096 0.0029364 1.2241413 -0.1192837 0.0112476 -0.0475972 1.2439056 3 K 1.1857135 0.0040936 0.0021096 -0.0029364 1.2241413 0.1192837 0.0112476 0.0475972 1.2439056 4 K 1.1857135 0.0040936 0.0021096 -0.0029364 1.2241413 0.1192837 0.0112476 0.0475972 1.2439056 5 Na 1.0346445 -0.0051349 0.0106153 0.0161729 1.0652202 0.0334931 -0.0032601 0.0567262 1.1304070 6 Na 1.0346445 -0.0051349 0.0106153 0.0161729 1.0652202 0.0334931 -0.0032601 0.0567262 1.1304070 7 Na 1.0346445 0.0051349 0.0106153 -0.0161729 1.0652202 -0.0334931 -0.0032601 -0.0567262 1.1304070 8 Na 1.0346445 0.0051349 0.0106153 -0.0161729 1.0652202 -0.0334931 -0.0032601 -0.0567262 1.1304070 9 Si 3.0889930 -0.1023225 0.1582374 0.1676536 2.7814255 0.0823867 -0.1655506 0.1745325 2.9600209 10 Si 3.0889930 0.1023225 0.1582374 -0.1676536 2.7814255 -0.0823867 -0.1655506 -0.1745325 2.9600209 11 Si 3.0889930 -0.1023225 0.1582374 0.1676536 2.7814255 0.0823867 -0.1655506 0.1745325 2.9600209 12 Si 3.1554261 -0.1025744 -0.0931114 0.1603184 2.9677202 -0.1727046 0.2128613 0.0569302 2.6600197 13 Si 3.1554261 0.1025744 -0.0931114 -0.1603184 2.9677202 0.1727046 0.2128613 -0.0569302 2.6600197 14 Si 3.0889930 0.1023225 0.1582374 -0.1676536 2.7814255 -0.0823867 -0.1655506 -0.1745325 2.9600209 15 Si 3.1554261 -0.1025744 -0.0931114 0.1603184 2.9677202 -0.1727046 0.2128613 0.0569302 2.6600197 16 Si 3.1554261 0.1025744 -0.0931114 -0.1603184 2.9677202 0.1727046 0.2128613 -0.0569302 2.6600197 17 O -2.2790288 0.4524028 0.6343161 0.3885023 -1.2578699 -0.2193229 0.5273583 -0.2819708 -1.5431492 18 O -1.3930290 0.0822087 0.0120438 0.1551409 -1.9092992 0.0302601 -0.0344801 0.0735990 -1.2937608 19 O -1.3496818 0.0265835 0.0429763 0.0067173 -1.3206781 -0.1640217 0.0967976 -0.1218182 -1.9420454 20 O -2.2790288 0.4524028 0.6343161 0.3885023 -1.2578699 -0.2193229 0.5273583 -0.2819708 -1.5431492 21 O -2.3247769 0.4707620 -0.6519389 0.3338764 -1.3701361 0.2801774 -0.5488550 0.2907161 -1.4490346 22 O -2.2790288 -0.4524028 0.6343161 -0.3885023 -1.2578699 0.2193229 0.5273583 0.2819708 -1.5431492 23 O -1.1182604 0.1431515 -0.1152481 0.1116993 -2.1805239 0.6058421 -0.0961190 0.5936705 -1.7663632 24 O -1.3496818 -0.0265835 0.0429763 -0.0067173 -1.3206781 0.1640217 0.0967976 0.1218182 -1.9420454 25 O -1.3930290 0.0822087 0.0120438 0.1551409 -1.9092992 0.0302601 -0.0344801 0.0735990 -1.2937608 26 O -1.3496818 -0.0265835 0.0429763 -0.0067173 -1.3206781 0.1640217 0.0967976 0.1218182 -1.9420454 27 O -1.1182604 -0.1431515 -0.1152481 -0.1116993 -2.1805239 -0.6058421 -0.0961190 -0.5936705 -1.7663632 28 O -2.3247769 -0.4707620 -0.6519389 -0.3338764 -1.3701361 -0.2801774 -0.5488550 -0.2907161 -1.4490346 29 O -2.3247769 0.4707620 -0.6519389 0.3338764 -1.3701361 0.2801774 -0.5488550 0.2907161 -1.4490346 30 O -1.3930290 -0.0822087 0.0120438 -0.1551409 -1.9092992 -0.0302601 -0.0344801 -0.0735990 -1.2937608 31 O -2.3247769 -0.4707620 -0.6519389 -0.3338764 -1.3701361 -0.2801774 -0.5488550 -0.2907161 -1.4490346 32 O -1.3496818 0.0265835 0.0429763 0.0067173 -1.3206781 -0.1640217 0.0967976 -0.1218182 -1.9420454 33 O -1.3930290 -0.0822087 0.0120438 -0.1551409 -1.9092992 -0.0302601 -0.0344801 -0.0735990 -1.2937608 34 O -1.1182604 0.1431515 -0.1152481 0.1116993 -2.1805239 0.6058421 -0.0961190 0.5936705 -1.7663632 35 O -2.2790288 -0.4524028 0.6343161 -0.3885023 -1.2578699 0.2193229 0.5273583 0.2819708 -1.5431492 36 O -1.1182604 -0.1431515 -0.1152481 -0.1116993 -2.1805239 -0.6058421 -0.0961190 -0.5936705 -1.7663632 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 69, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 81, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) 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 13:57:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:57:41]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.866576700866773 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.166482677283904 0.000000000000000 7.495256423468507 Atomic positions (fractional): 1 K 0.69781072554545 0.79975262386942 0.28695760936703 39.098 2 K 0.30218927445455 0.20024737613058 0.71304239063297 39.098 3 K 0.30218927445455 0.29975262386942 0.21304239063297 39.098 4 K 0.69781072554545 0.70024737613058 0.78695760936703 39.098 5 Na 0.77740076693340 0.40655772385503 0.97223384352627 22.990 6 Na 0.22259923306660 0.59344227614497 0.02776615647373 22.990 7 Na 0.77740076693340 0.09344227614497 0.47223384352628 22.990 8 Na 0.22259923306660 0.90655772385503 0.52776615647373 22.990 9 Si 0.30328398042491 0.04860336507753 0.21685209024335 28.085 10 Si 0.30328398042491 0.45139663492247 0.71685209024335 28.085 11 Si 0.69671601957509 0.95139663492247 0.78314790975665 28.085 12 Si 0.79690387148687 0.36914163963559 0.51451066407087 28.085 13 Si 0.79690387148687 0.13085836036441 0.01451066407087 28.085 14 Si 0.69671601957509 0.54860336507753 0.28314790975665 28.085 15 Si 0.20309612851313 0.63085836036441 0.48548933592913 28.085 16 Si 0.20309612851313 0.86914163963559 0.98548933592913 28.085 17 O 0.37130068412707 0.56913897852866 0.33188587744513 15.999 18 O 0.71696683644011 0.24226599372071 0.99155986640929 15.999 19 O 0.24962211955172 0.07337126662555 0.41988297043623 15.999 20 O 0.62869931587293 0.43086102147134 0.66811412255487 15.999 21 O 0.87412544791439 0.88451332269343 0.92954575258162 15.999 22 O 0.37130068412707 0.93086102147134 0.83188587744513 15.999 23 O 0.75311731093420 0.43016769496621 0.32259465238898 15.999 24 O 0.24962211955172 0.42662873337445 0.91988297043623 15.999 25 O 0.28303316355989 0.75773400627929 0.00844013359071 15.999 26 O 0.75037788044828 0.57337126662555 0.08011702956377 15.999 27 O 0.24688268906580 0.93016769496621 0.17740534761102 15.999 28 O 0.87412544791439 0.61548667730657 0.42954575258162 15.999 29 O 0.12587455208560 0.11548667730657 0.07045424741838 15.999 30 O 0.28303316355989 0.74226599372071 0.50844013359071 15.999 31 O 0.12587455208560 0.38451332269344 0.57045424741838 15.999 32 O 0.75037788044828 0.92662873337445 0.58011702956377 15.999 33 O 0.71696683644011 0.25773400627929 0.49155986640929 15.999 34 O 0.24688268906580 0.56983230503379 0.67740534761102 15.999 35 O 0.62869931587293 0.06913897852866 0.16811412255487 15.999 36 O 0.75311731093420 0.06983230503378 0.82259465238898 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.733153401733546 0.000000000000000 0.000000000000000 b 0.000000000000000 13.623843150000001 0.000000000000000 c -0.332965354567808 0.000000000000000 14.990512846937014 Atomic positions (fractional): 1 K 0.34890536277272 0.79975262386942 0.14347880468351 39.098 > 1 2 K 0.84890536277272 0.79975262386942 0.14347880468351 39.098 > 1 3 K 0.34890536277272 0.79975262386942 0.64347880468351 39.098 > 1 4 K 0.84890536277272 0.79975262386942 0.64347880468351 39.098 > 1 5 K 0.15109463722728 0.20024737613058 0.35652119531649 39.098 > 5 6 K 0.65109463722728 0.20024737613058 0.35652119531649 39.098 > 5 7 K 0.15109463722728 0.20024737613058 0.85652119531649 39.098 > 5 8 K 0.65109463722728 0.20024737613058 0.85652119531649 39.098 > 5 9 K 0.15109463722728 0.29975262386942 0.10652119531649 39.098 > 9 10 K 0.65109463722728 0.29975262386942 0.10652119531649 39.098 > 9 11 K 0.15109463722728 0.29975262386942 0.60652119531649 39.098 > 9 12 K 0.65109463722728 0.29975262386942 0.60652119531649 39.098 > 9 13 K 0.34890536277272 0.70024737613058 0.39347880468351 39.098 > 13 14 K 0.84890536277272 0.70024737613058 0.39347880468351 39.098 > 13 15 K 0.34890536277272 0.70024737613058 0.89347880468351 39.098 > 13 16 K 0.84890536277272 0.70024737613058 0.89347880468351 39.098 > 13 17 Na 0.38870038346670 0.40655772385503 0.48611692176314 22.990 > 17 18 Na 0.88870038346670 0.40655772385503 0.48611692176314 22.990 > 17 19 Na 0.38870038346670 0.40655772385503 0.98611692176314 22.990 > 17 20 Na 0.88870038346670 0.40655772385503 0.98611692176314 22.990 > 17 21 Na 0.11129961653330 0.59344227614497 0.01388307823686 22.990 > 21 22 Na 0.61129961653330 0.59344227614497 0.01388307823686 22.990 > 21 23 Na 0.11129961653330 0.59344227614497 0.51388307823686 22.990 > 21 24 Na 0.61129961653330 0.59344227614497 0.51388307823686 22.990 > 21 25 Na 0.38870038346670 0.09344227614497 0.23611692176314 22.990 > 25 26 Na 0.88870038346670 0.09344227614497 0.23611692176314 22.990 > 25 27 Na 0.38870038346670 0.09344227614497 0.73611692176314 22.990 > 25 28 Na 0.88870038346670 0.09344227614497 0.73611692176314 22.990 > 25 29 Na 0.11129961653330 0.90655772385503 0.26388307823686 22.990 > 29 30 Na 0.61129961653330 0.90655772385503 0.26388307823686 22.990 > 29 31 Na 0.11129961653330 0.90655772385503 0.76388307823686 22.990 > 29 32 Na 0.61129961653330 0.90655772385503 0.76388307823686 22.990 > 29 33 Si 0.15164199021246 0.04860336507753 0.10842604512167 28.085 > 33 34 Si 0.65164199021246 0.04860336507753 0.10842604512167 28.085 > 33 35 Si 0.15164199021246 0.04860336507753 0.60842604512167 28.085 > 33 36 Si 0.65164199021246 0.04860336507753 0.60842604512167 28.085 > 33 37 Si 0.15164199021246 0.45139663492247 0.35842604512167 28.085 > 37 38 Si 0.65164199021246 0.45139663492247 0.35842604512167 28.085 > 37 39 Si 0.15164199021246 0.45139663492247 0.85842604512167 28.085 > 37 40 Si 0.65164199021246 0.45139663492247 0.85842604512167 28.085 > 37 41 Si 0.34835800978754 0.95139663492247 0.39157395487833 28.085 > 41 42 Si 0.84835800978754 0.95139663492247 0.39157395487833 28.085 > 41 43 Si 0.34835800978754 0.95139663492247 0.89157395487833 28.085 > 41 44 Si 0.84835800978754 0.95139663492247 0.89157395487833 28.085 > 41 45 Si 0.39845193574344 0.36914163963559 0.25725533203543 28.085 > 45 46 Si 0.89845193574344 0.36914163963559 0.25725533203543 28.085 > 45 47 Si 0.39845193574344 0.36914163963559 0.75725533203543 28.085 > 45 48 Si 0.89845193574344 0.36914163963559 0.75725533203543 28.085 > 45 49 Si 0.39845193574344 0.13085836036441 0.00725533203543 28.085 > 49 50 Si 0.89845193574344 0.13085836036441 0.00725533203543 28.085 > 49 51 Si 0.39845193574344 0.13085836036441 0.50725533203543 28.085 > 49 52 Si 0.89845193574344 0.13085836036441 0.50725533203543 28.085 > 49 53 Si 0.34835800978754 0.54860336507753 0.14157395487833 28.085 > 53 54 Si 0.84835800978754 0.54860336507753 0.14157395487833 28.085 > 53 55 Si 0.34835800978754 0.54860336507753 0.64157395487833 28.085 > 53 56 Si 0.84835800978754 0.54860336507753 0.64157395487833 28.085 > 53 57 Si 0.10154806425656 0.63085836036441 0.24274466796457 28.085 > 57 58 Si 0.60154806425656 0.63085836036441 0.24274466796457 28.085 > 57 59 Si 0.10154806425656 0.63085836036441 0.74274466796457 28.085 > 57 60 Si 0.60154806425656 0.63085836036441 0.74274466796457 28.085 > 57 61 Si 0.10154806425656 0.86914163963559 0.49274466796457 28.085 > 61 62 Si 0.60154806425656 0.86914163963559 0.49274466796457 28.085 > 61 63 Si 0.10154806425656 0.86914163963559 0.99274466796457 28.085 > 61 64 Si 0.60154806425656 0.86914163963559 0.99274466796457 28.085 > 61 65 O 0.18565034206353 0.56913897852866 0.16594293872256 15.999 > 65 66 O 0.68565034206353 0.56913897852866 0.16594293872256 15.999 > 65 67 O 0.18565034206353 0.56913897852866 0.66594293872256 15.999 > 65 68 O 0.68565034206353 0.56913897852866 0.66594293872256 15.999 > 65 69 O 0.35848341822005 0.24226599372071 0.49577993320465 15.999 > 69 70 O 0.85848341822005 0.24226599372071 0.49577993320465 15.999 > 69 71 O 0.35848341822005 0.24226599372071 0.99577993320465 15.999 > 69 72 O 0.85848341822005 0.24226599372071 0.99577993320465 15.999 > 69 73 O 0.12481105977586 0.07337126662555 0.20994148521812 15.999 > 73 74 O 0.62481105977586 0.07337126662555 0.20994148521812 15.999 > 73 75 O 0.12481105977586 0.07337126662555 0.70994148521812 15.999 > 73 76 O 0.62481105977586 0.07337126662555 0.70994148521812 15.999 > 73 77 O 0.31434965793647 0.43086102147134 0.33405706127744 15.999 > 77 78 O 0.81434965793647 0.43086102147134 0.33405706127744 15.999 > 77 79 O 0.31434965793647 0.43086102147134 0.83405706127744 15.999 > 77 80 O 0.81434965793647 0.43086102147134 0.83405706127744 15.999 > 77 81 O 0.43706272395720 0.88451332269343 0.46477287629081 15.999 > 81 82 O 0.93706272395720 0.88451332269343 0.46477287629081 15.999 > 81 83 O 0.43706272395720 0.88451332269343 0.96477287629081 15.999 > 81 84 O 0.93706272395720 0.88451332269343 0.96477287629081 15.999 > 81 85 O 0.18565034206353 0.93086102147134 0.41594293872256 15.999 > 85 86 O 0.68565034206353 0.93086102147134 0.41594293872256 15.999 > 85 87 O 0.18565034206353 0.93086102147134 0.91594293872256 15.999 > 85 88 O 0.68565034206353 0.93086102147134 0.91594293872256 15.999 > 85 89 O 0.37655865546710 0.43016769496621 0.16129732619449 15.999 > 89 90 O 0.87655865546710 0.43016769496621 0.16129732619449 15.999 > 89 91 O 0.37655865546710 0.43016769496621 0.66129732619449 15.999 > 89 92 O 0.87655865546710 0.43016769496621 0.66129732619449 15.999 > 89 93 O 0.12481105977586 0.42662873337445 0.45994148521812 15.999 > 93 94 O 0.62481105977586 0.42662873337445 0.45994148521812 15.999 > 93 95 O 0.12481105977586 0.42662873337445 0.95994148521812 15.999 > 93 96 O 0.62481105977586 0.42662873337445 0.95994148521812 15.999 > 93 97 O 0.14151658177995 0.75773400627929 0.00422006679535 15.999 > 97 98 O 0.64151658177995 0.75773400627929 0.00422006679535 15.999 > 97 99 O 0.14151658177995 0.75773400627929 0.50422006679535 15.999 > 97 100 O 0.64151658177995 0.75773400627929 0.50422006679535 15.999 > 97 101 O 0.37518894022414 0.57337126662555 0.04005851478188 15.999 > 101 102 O 0.87518894022414 0.57337126662555 0.04005851478188 15.999 > 101 103 O 0.37518894022414 0.57337126662555 0.54005851478188 15.999 > 101 104 O 0.87518894022414 0.57337126662555 0.54005851478188 15.999 > 101 105 O 0.12344134453290 0.93016769496621 0.08870267380551 15.999 > 105 106 O 0.62344134453290 0.93016769496621 0.08870267380551 15.999 > 105 107 O 0.12344134453290 0.93016769496621 0.58870267380551 15.999 > 105 108 O 0.62344134453290 0.93016769496621 0.58870267380551 15.999 > 105 109 O 0.43706272395720 0.61548667730657 0.21477287629081 15.999 > 109 110 O 0.93706272395720 0.61548667730657 0.21477287629081 15.999 > 109 111 O 0.43706272395720 0.61548667730657 0.71477287629081 15.999 > 109 112 O 0.93706272395720 0.61548667730657 0.71477287629081 15.999 > 109 113 O 0.06293727604280 0.11548667730657 0.03522712370919 15.999 > 113 114 O 0.56293727604280 0.11548667730657 0.03522712370919 15.999 > 113 115 O 0.06293727604280 0.11548667730657 0.53522712370919 15.999 > 113 116 O 0.56293727604280 0.11548667730657 0.53522712370919 15.999 > 113 117 O 0.14151658177995 0.74226599372071 0.25422006679535 15.999 > 117 118 O 0.64151658177995 0.74226599372071 0.25422006679535 15.999 > 117 119 O 0.14151658177995 0.74226599372071 0.75422006679535 15.999 > 117 120 O 0.64151658177995 0.74226599372071 0.75422006679535 15.999 > 117 121 O 0.06293727604280 0.38451332269344 0.28522712370919 15.999 > 121 122 O 0.56293727604280 0.38451332269344 0.28522712370919 15.999 > 121 123 O 0.06293727604280 0.38451332269344 0.78522712370919 15.999 > 121 124 O 0.56293727604280 0.38451332269344 0.78522712370919 15.999 > 121 125 O 0.37518894022414 0.92662873337445 0.29005851478188 15.999 > 125 126 O 0.87518894022414 0.92662873337445 0.29005851478188 15.999 > 125 127 O 0.37518894022414 0.92662873337445 0.79005851478188 15.999 > 125 128 O 0.87518894022414 0.92662873337445 0.79005851478188 15.999 > 125 129 O 0.35848341822005 0.25773400627929 0.24577993320465 15.999 > 129 130 O 0.85848341822005 0.25773400627929 0.24577993320465 15.999 > 129 131 O 0.35848341822005 0.25773400627929 0.74577993320465 15.999 > 129 132 O 0.85848341822005 0.25773400627929 0.74577993320465 15.999 > 129 133 O 0.12344134453290 0.56983230503379 0.33870267380551 15.999 > 133 134 O 0.62344134453290 0.56983230503379 0.33870267380551 15.999 > 133 135 O 0.12344134453290 0.56983230503379 0.83870267380551 15.999 > 133 136 O 0.62344134453290 0.56983230503379 0.83870267380551 15.999 > 133 137 O 0.31434965793647 0.06913897852866 0.08405706127744 15.999 > 137 138 O 0.81434965793647 0.06913897852866 0.08405706127744 15.999 > 137 139 O 0.31434965793647 0.06913897852866 0.58405706127744 15.999 > 137 140 O 0.81434965793647 0.06913897852866 0.58405706127744 15.999 > 137 141 O 0.37655865546710 0.06983230503378 0.41129732619449 15.999 > 141 142 O 0.87655865546710 0.06983230503378 0.41129732619449 15.999 > 141 143 O 0.37655865546710 0.06983230503378 0.91129732619449 15.999 > 141 144 O 0.87655865546710 0.06983230503378 0.91129732619449 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5302666 0.0000000 0.0080249 0.0000000 2.5035703 0.0000000 0.0080266 0.0000000 2.5121054 -------------------------- Born effective charges -------------------------- 1 K 1.1857135 -0.0040936 0.0021096 0.0029364 1.2241413 -0.1192837 0.0112476 -0.0475972 1.2439056 2 K 1.1857135 -0.0040936 0.0021096 0.0029364 1.2241413 -0.1192837 0.0112476 -0.0475972 1.2439056 3 K 1.1857135 0.0040936 0.0021096 -0.0029364 1.2241413 0.1192837 0.0112476 0.0475972 1.2439056 4 K 1.1857135 0.0040936 0.0021096 -0.0029364 1.2241413 0.1192837 0.0112476 0.0475972 1.2439056 5 Na 1.0346445 -0.0051349 0.0106153 0.0161729 1.0652202 0.0334931 -0.0032601 0.0567262 1.1304070 6 Na 1.0346445 -0.0051349 0.0106153 0.0161729 1.0652202 0.0334931 -0.0032601 0.0567262 1.1304070 7 Na 1.0346445 0.0051349 0.0106153 -0.0161729 1.0652202 -0.0334931 -0.0032601 -0.0567262 1.1304070 8 Na 1.0346445 0.0051349 0.0106153 -0.0161729 1.0652202 -0.0334931 -0.0032601 -0.0567262 1.1304070 9 Si 3.0889930 -0.1023225 0.1582374 0.1676536 2.7814255 0.0823867 -0.1655506 0.1745325 2.9600209 10 Si 3.0889930 0.1023225 0.1582374 -0.1676536 2.7814255 -0.0823867 -0.1655506 -0.1745325 2.9600209 11 Si 3.0889930 -0.1023225 0.1582374 0.1676536 2.7814255 0.0823867 -0.1655506 0.1745325 2.9600209 12 Si 3.1554261 -0.1025744 -0.0931114 0.1603184 2.9677202 -0.1727046 0.2128613 0.0569302 2.6600197 13 Si 3.1554261 0.1025744 -0.0931114 -0.1603184 2.9677202 0.1727046 0.2128613 -0.0569302 2.6600197 14 Si 3.0889930 0.1023225 0.1582374 -0.1676536 2.7814255 -0.0823867 -0.1655506 -0.1745325 2.9600209 15 Si 3.1554261 -0.1025744 -0.0931114 0.1603184 2.9677202 -0.1727046 0.2128613 0.0569302 2.6600197 16 Si 3.1554261 0.1025744 -0.0931114 -0.1603184 2.9677202 0.1727046 0.2128613 -0.0569302 2.6600197 17 O -2.2790288 0.4524028 0.6343161 0.3885023 -1.2578699 -0.2193229 0.5273583 -0.2819708 -1.5431492 18 O -1.3930290 0.0822087 0.0120438 0.1551409 -1.9092992 0.0302601 -0.0344801 0.0735990 -1.2937608 19 O -1.3496818 0.0265835 0.0429763 0.0067173 -1.3206781 -0.1640217 0.0967976 -0.1218182 -1.9420454 20 O -2.2790288 0.4524028 0.6343161 0.3885023 -1.2578699 -0.2193229 0.5273583 -0.2819708 -1.5431492 21 O -2.3247769 0.4707620 -0.6519389 0.3338764 -1.3701361 0.2801774 -0.5488550 0.2907161 -1.4490346 22 O -2.2790288 -0.4524028 0.6343161 -0.3885023 -1.2578699 0.2193229 0.5273583 0.2819708 -1.5431492 23 O -1.1182604 0.1431515 -0.1152481 0.1116993 -2.1805239 0.6058421 -0.0961190 0.5936705 -1.7663632 24 O -1.3496818 -0.0265835 0.0429763 -0.0067173 -1.3206781 0.1640217 0.0967976 0.1218182 -1.9420454 25 O -1.3930290 0.0822087 0.0120438 0.1551409 -1.9092992 0.0302601 -0.0344801 0.0735990 -1.2937608 26 O -1.3496818 -0.0265835 0.0429763 -0.0067173 -1.3206781 0.1640217 0.0967976 0.1218182 -1.9420454 27 O -1.1182604 -0.1431515 -0.1152481 -0.1116993 -2.1805239 -0.6058421 -0.0961190 -0.5936705 -1.7663632 28 O -2.3247769 -0.4707620 -0.6519389 -0.3338764 -1.3701361 -0.2801774 -0.5488550 -0.2907161 -1.4490346 29 O -2.3247769 0.4707620 -0.6519389 0.3338764 -1.3701361 0.2801774 -0.5488550 0.2907161 -1.4490346 30 O -1.3930290 -0.0822087 0.0120438 -0.1551409 -1.9092992 -0.0302601 -0.0344801 -0.0735990 -1.2937608 31 O -2.3247769 -0.4707620 -0.6519389 -0.3338764 -1.3701361 -0.2801774 -0.5488550 -0.2907161 -1.4490346 32 O -1.3496818 0.0265835 0.0429763 0.0067173 -1.3206781 -0.1640217 0.0967976 -0.1218182 -1.9420454 33 O -1.3930290 -0.0822087 0.0120438 -0.1551409 -1.9092992 -0.0302601 -0.0344801 -0.0735990 -1.2937608 34 O -1.1182604 0.1431515 -0.1152481 0.1116993 -2.1805239 0.6058421 -0.0961190 0.5936705 -1.7663632 35 O -2.2790288 -0.4524028 0.6343161 -0.3885023 -1.2578699 0.2193229 0.5273583 0.2819708 -1.5431492 36 O -1.1182604 -0.1431515 -0.1152481 -0.1116993 -2.1805239 -0.6058421 -0.0961190 -0.5936705 -1.7663632 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 7 ] 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: 0.52, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 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 1.500 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.603 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.838 ( 0.000 0.000 0.000) 0.000 14.889 ( 0.000 0.000 0.000) 0.000 15.153 ( 0.000 0.000 0.000) 0.000 15.188 ( 0.000 0.000 0.000) 0.000 15.447 ( 0.000 0.000 0.000) 0.000 15.495 ( 0.000 0.000 0.000) 0.000 17.113 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 0.000 0.000) 0.000 19.914 ( 0.000 0.000 0.000) 0.000 21.678 ( 0.000 0.000 0.000) 0.000 21.690 ( 0.000 0.000 0.000) 0.000 21.974 ( 0.000 0.000 0.000) 0.000 22.158 ( 0.000 0.000 0.000) 0.000 22.230 ( 0.000 0.000 0.000) 0.000 22.402 ( 0.000 0.000 0.000) 0.000 27.495 ( 0.000 0.000 0.000) 0.000 27.496 ( 0.000 0.000 0.000) 0.000 28.201 ( 0.000 0.000 0.000) 0.000 28.228 ( 0.000 0.000 0.000) 0.000 28.259 ( 0.000 0.000 0.000) 0.000 28.261 ( 0.000 0.000 0.000) 0.000 28.747 ( 0.000 0.000 0.000) 0.000 28.790 ( 0.000 0.000 0.000) 0.000 29.150 ( 0.000 0.000 0.000) 0.000 29.759 ( 0.000 0.000 0.000) 0.000 30.259 ( 0.000 0.000 0.000) 0.000 30.453 ( 0.000 0.000 0.000) 0.000 30.994 ( 0.000 0.000 0.000) 0.000 31.007 ( 0.000 0.000 0.000) 0.000 31.898 ( 0.000 0.000 0.000) 0.000 32.035 ( 0.000 0.000 0.000) 0.000 32.233 ( 0.000 0.000 0.000) 0.000 32.661 ( 0.000 0.000 0.000) 0.000 32.916 ( 0.000 0.000 0.000) 0.000 33.638 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 31.888 0.000 -0.593) 31.893 0.686 ( 33.017 0.000 8.484) 34.089 1.091 ( 48.977 0.000 -0.467) 48.980 1.628 ( 11.427 0.000 3.312) 11.898 2.217 ( 20.614 0.000 -5.146) 21.247 2.321 ( 2.638 0.000 -3.130) 4.093 2.441 ( 2.648 0.000 2.583) 3.699 2.595 ( -0.700 0.000 -1.345) 1.516 2.626 ( 6.667 0.000 9.168) 11.335 2.770 ( 0.287 0.000 4.156) 4.166 2.810 ( -4.803 0.000 1.644) 5.076 3.011 ( -3.045 0.000 -5.809) 6.559 3.079 ( 2.525 0.000 -2.367) 3.461 3.189 ( 5.109 0.000 -2.121) 5.532 3.339 ( 6.925 0.000 2.067) 7.227 3.562 ( -6.013 0.000 0.668) 6.050 3.639 ( 5.281 0.000 4.688) 7.062 3.684 ( -0.332 0.000 -8.011) 8.018 3.933 ( -6.037 0.000 6.490) 8.863 3.963 ( 3.818 0.000 5.391) 6.606 4.029 ( 0.671 0.000 -0.946) 1.160 4.110 ( -1.448 0.000 7.829) 7.962 4.259 ( 1.520 0.000 0.308) 1.551 4.430 ( -7.370 0.000 -0.335) 7.378 4.484 ( -2.745 0.000 -3.630) 4.551 4.697 ( 9.121 0.000 -0.649) 9.144 4.749 ( 6.691 0.000 -2.940) 7.309 4.812 ( 3.740 0.000 -0.322) 3.753 5.113 ( -0.828 0.000 -1.578) 1.782 5.146 ( -1.443 0.000 -3.350) 3.648 5.389 ( 3.537 0.000 -3.196) 4.767 5.492 ( -0.613 0.000 -1.716) 1.822 5.587 ( 3.228 0.000 -20.293) 20.548 5.780 ( 3.679 0.000 1.990) 4.183 5.838 ( -2.107 0.000 1.461) 2.564 6.067 ( 4.553 0.000 0.522) 4.583 6.108 ( -0.462 0.000 1.118) 1.209 6.194 ( -4.287 0.000 4.941) 6.542 6.299 ( 0.907 0.000 8.891) 8.937 6.366 ( 3.858 0.000 0.092) 3.859 6.386 ( 3.201 0.000 9.269) 9.806 6.591 ( 8.744 0.000 -0.244) 8.747 6.785 ( -2.288 0.000 -1.352) 2.657 6.882 ( -0.878 0.000 4.085) 4.178 7.497 ( -6.022 0.000 -0.666) 6.059 7.741 ( 7.783 0.000 -0.748) 7.819 7.796 ( -6.141 0.000 -4.102) 7.385 8.004 ( 3.197 0.000 2.384) 3.988 8.118 ( -2.207 0.000 -4.359) 4.886 8.354 ( -2.858 0.000 1.214) 3.105 8.506 ( 5.515 0.000 -2.739) 6.158 8.771 ( 9.423 0.000 -1.122) 9.490 9.032 ( 6.924 0.000 3.255) 7.651 9.441 ( -2.867 0.000 3.748) 4.719 9.558 ( 6.147 0.000 1.719) 6.383 9.659 ( 5.209 0.000 0.058) 5.209 9.789 ( 0.957 0.000 1.642) 1.900 9.904 ( 0.210 0.000 -2.434) 2.443 10.570 ( -3.452 0.000 -0.681) 3.518 10.614 ( -5.642 0.000 -1.600) 5.865 11.304 ( -0.765 0.000 1.614) 1.786 11.367 ( 0.032 0.000 0.949) 0.949 11.874 ( 1.156 0.000 -4.468) 4.615 11.999 ( -0.914 0.000 -3.253) 3.379 12.591 ( 3.526 0.000 2.356) 4.241 12.597 ( 12.447 0.000 2.968) 12.796 12.644 ( 4.859 0.000 1.131) 4.989 13.286 ( -9.753 0.000 12.336) 15.725 13.647 ( -9.615 0.000 3.684) 10.296 13.876 ( -15.149 0.000 -0.681) 15.164 13.889 ( -16.093 0.000 -3.347) 16.437 14.276 ( -31.419 0.000 -9.428) 32.803 14.775 ( -13.910 0.000 0.505) 13.919 14.843 ( -14.927 0.000 -2.346) 15.111 15.200 ( -1.077 0.000 0.155) 1.088 15.368 ( -6.968 0.000 -0.454) 6.983 15.523 ( 12.484 0.000 0.351) 12.489 15.785 ( 35.038 0.000 -15.589) 38.349 17.374 ( 23.053 0.000 -0.046) 23.053 17.844 ( 12.805 0.000 27.357) 30.205 19.565 ( -20.358 0.000 1.066) 20.386 19.665 ( -21.057 0.000 -4.749) 21.586 21.670 ( -2.505 0.000 0.246) 2.517 21.715 ( -0.500 0.000 -0.047) 0.502 22.173 ( 17.364 0.000 -1.502) 17.429 22.244 ( 3.791 0.000 -5.938) 7.045 22.351 ( 15.071 0.000 5.476) 16.035 22.381 ( -1.516 0.000 -0.273) 1.540 27.493 ( -0.161 0.000 -0.093) 0.186 27.495 ( 0.007 0.000 0.074) 0.074 28.174 ( -5.803 0.000 -0.065) 5.803 28.211 ( -4.459 0.000 -0.416) 4.479 28.475 ( 22.972 0.000 0.292) 22.974 28.830 ( 7.932 0.000 0.542) 7.951 28.877 ( 8.288 0.000 1.078) 8.358 29.280 ( 11.527 0.000 -0.548) 11.540 29.817 ( 5.330 0.000 1.689) 5.591 30.277 ( 1.832 0.000 -0.893) 2.038 30.454 ( 1.850 0.000 -15.012) 15.125 30.838 ( -1.033 0.000 77.697) 77.704 30.994 ( -1.182 0.000 -0.345) 1.231 31.364 ( -2.296 0.000 -73.807) 73.842 31.861 ( -3.628 0.000 1.291) 3.851 31.984 ( -4.917 0.000 1.563) 5.159 32.199 ( -3.138 0.000 -0.810) 3.240 32.616 ( -4.332 0.000 0.929) 4.431 32.890 ( -8.277 0.000 7.019) 10.853 33.524 ( -10.697 0.000 -1.002) 10.744 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 28.430 0.000 0.134) 28.430 1.352 ( 30.866 0.000 6.408) 31.524 1.895 ( 26.209 0.000 5.723) 26.826 1.947 ( 18.646 0.000 8.864) 20.645 2.345 ( 0.651 0.000 -2.042) 2.143 2.475 ( -8.029 0.000 -1.714) 8.210 2.499 ( 1.155 0.000 3.696) 3.872 2.536 ( 8.764 0.000 -4.797) 9.991 2.754 ( 2.261 0.000 7.056) 7.410 2.767 ( -0.093 0.000 0.940) 0.945 2.780 ( -0.585 0.000 0.504) 0.772 2.957 ( 0.989 0.000 -2.767) 2.939 3.215 ( 4.634 0.000 -3.739) 5.955 3.284 ( 3.833 0.000 -1.477) 4.107 3.446 ( 2.684 0.000 0.324) 2.703 3.463 ( 1.425 0.000 0.607) 1.548 3.708 ( 3.047 0.000 -7.550) 8.142 3.776 ( -8.981 0.000 5.515) 10.539 3.833 ( 12.600 0.000 -3.360) 13.040 3.935 ( -9.707 0.000 6.407) 11.631 4.046 ( 0.500 0.000 -2.911) 2.953 4.048 ( -2.359 0.000 2.539) 3.466 4.226 ( -3.103 0.000 -1.469) 3.433 4.295 ( -2.170 0.000 -2.271) 3.141 4.537 ( 10.040 0.000 -0.680) 10.063 4.837 ( 0.815 0.000 0.326) 0.878 5.015 ( 13.842 0.000 -0.915) 13.872 5.034 ( 3.567 0.000 -2.997) 4.659 5.101 ( 12.479 0.000 -0.054) 12.480 5.130 ( 2.416 0.000 0.743) 2.528 5.470 ( -1.264 0.000 1.680) 2.102 5.487 ( 4.759 0.000 -2.634) 5.439 5.601 ( -1.519 0.000 -9.962) 10.077 5.803 ( -1.506 0.000 1.837) 2.376 5.900 ( 7.236 0.000 -0.017) 7.236 6.018 ( -3.773 0.000 -4.452) 5.836 6.135 ( -1.710 0.000 2.577) 3.093 6.305 ( 15.309 0.000 2.348) 15.488 6.309 ( -1.406 0.000 0.880) 1.659 6.451 ( 4.227 0.000 5.447) 6.894 6.471 ( 7.155 0.000 3.451) 7.944 6.694 ( -4.876 0.000 -1.777) 5.190 6.802 ( 11.227 0.000 0.194) 11.229 6.889 ( 0.703 0.000 5.141) 5.189 7.415 ( -0.775 0.000 -1.071) 1.322 7.659 ( -7.097 0.000 -1.041) 7.173 7.865 ( 2.603 0.000 0.845) 2.737 8.074 ( 3.480 0.000 4.817) 5.942 8.176 ( 10.000 0.000 -6.936) 12.170 8.301 ( -0.568 0.000 -6.603) 6.627 8.705 ( 13.179 0.000 3.522) 13.642 8.973 ( 9.251 0.000 -2.233) 9.517 9.183 ( 6.676 0.000 5.114) 8.410 9.407 ( 0.117 0.000 6.289) 6.290 9.717 ( 8.844 0.000 2.028) 9.073 9.802 ( 8.717 0.000 3.969) 9.578 9.840 ( 3.829 0.000 -1.729) 4.201 9.904 ( 0.146 0.000 -2.004) 2.009 10.465 ( -5.726 0.000 -2.232) 6.146 10.493 ( -4.700 0.000 -3.698) 5.980 11.353 ( 5.855 0.000 2.743) 6.465 11.411 ( 4.586 0.000 1.343) 4.779 11.886 ( -0.659 0.000 -6.939) 6.970 11.969 ( -2.592 0.000 -5.807) 6.359 12.442 ( -11.054 0.000 3.823) 11.696 12.848 ( 3.719 0.000 6.613) 7.587 12.928 ( 12.996 0.000 2.240) 13.188 13.035 ( -9.161 0.000 2.838) 9.590 13.371 ( -16.046 0.000 4.187) 16.583 13.436 ( -25.502 0.000 -2.929) 25.669 13.449 ( -24.087 0.000 -1.161) 24.115 13.694 ( -24.047 0.000 -4.477) 24.460 14.353 ( -25.140 0.000 0.503) 25.145 14.415 ( -25.394 0.000 -0.453) 25.398 15.039 ( -10.814 0.000 -0.157) 10.815 15.173 ( -11.508 0.000 -0.237) 11.511 16.056 ( 32.886 0.000 1.261) 32.910 16.468 ( 31.190 0.000 -7.587) 32.099 17.959 ( 32.041 0.000 0.759) 32.050 18.228 ( 22.142 0.000 11.367) 24.890 19.103 ( -22.536 0.000 0.861) 22.552 19.211 ( -20.080 0.000 -1.480) 20.135 21.548 ( -9.751 0.000 0.348) 9.757 21.619 ( -8.967 0.000 0.164) 8.968 22.337 ( 5.820 0.000 -1.635) 6.046 22.366 ( 0.957 0.000 0.466) 1.064 22.555 ( 17.061 0.000 -2.489) 17.242 22.699 ( 15.518 0.000 1.518) 15.592 27.494 ( 0.367 0.000 -0.130) 0.389 27.499 ( 0.436 0.000 0.140) 0.458 28.032 ( -7.480 0.000 -0.072) 7.481 28.088 ( -7.159 0.000 -0.434) 7.173 29.059 ( 31.016 0.000 0.880) 31.028 29.062 ( 14.064 0.000 0.938) 14.095 29.114 ( 14.090 0.000 1.586) 14.179 29.570 ( 15.604 0.000 -0.870) 15.628 29.953 ( 7.121 0.000 -0.001) 7.121 30.337 ( 4.192 0.000 -1.661) 4.509 30.506 ( 3.844 0.000 -6.565) 7.607 30.864 ( 1.084 0.000 33.782) 33.800 30.964 ( -1.632 0.000 -0.415) 1.684 31.257 ( -5.390 0.000 -33.201) 33.636 31.752 ( -6.912 0.000 1.793) 7.141 31.840 ( -9.073 0.000 2.201) 9.337 32.112 ( -4.948 0.000 -0.999) 5.048 32.493 ( -7.340 0.000 1.231) 7.443 32.689 ( -10.593 0.000 1.762) 10.739 33.227 ( -17.340 0.000 -1.645) 17.418 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 20.908 0.000 4.057) 21.297 1.921 ( 22.679 0.000 5.142) 23.254 2.146 ( 2.405 0.000 4.443) 5.052 2.296 ( 3.336 0.000 3.540) 4.864 2.353 ( -2.624 0.000 -0.294) 2.640 2.404 ( 12.397 0.000 3.800) 12.967 2.479 ( -3.951 0.000 2.535) 4.694 2.606 ( -0.249 0.000 -3.415) 3.424 2.647 ( -2.376 0.000 -0.288) 2.394 2.827 ( 5.625 0.000 0.714) 5.670 2.893 ( 6.986 0.000 1.132) 7.077 3.068 ( 7.910 0.000 7.028) 10.581 3.126 ( -7.883 0.000 -6.076) 9.953 3.345 ( 4.122 0.000 -2.375) 4.758 3.485 ( 1.962 0.000 -1.045) 2.223 3.579 ( 1.090 0.000 3.941) 4.089 3.599 ( -7.458 0.000 4.411) 8.665 3.741 ( -5.412 0.000 8.325) 9.929 3.796 ( 4.746 0.000 -5.269) 7.091 3.954 ( -4.960 0.000 -3.531) 6.088 3.977 ( -6.635 0.000 -4.328) 7.922 4.054 ( 6.924 0.000 -2.897) 7.506 4.243 ( 5.533 0.000 -0.259) 5.539 4.306 ( -0.220 0.000 -1.886) 1.899 4.745 ( -10.290 0.000 2.066) 10.495 4.831 ( 12.236 0.000 -1.928) 12.387 5.032 ( 1.401 0.000 -7.306) 7.440 5.150 ( 7.156 0.000 -10.058) 12.344 5.234 ( -1.499 0.000 0.314) 1.531 5.302 ( -3.195 0.000 -9.529) 10.050 5.522 ( 2.533 0.000 5.484) 6.041 5.556 ( 5.102 0.000 -2.061) 5.503 5.570 ( 7.185 0.000 4.721) 8.598 5.826 ( 3.459 0.000 2.321) 4.166 5.966 ( -3.383 0.000 2.753) 4.362 6.009 ( 5.047 0.000 -5.946) 7.799 6.130 ( 1.318 0.000 -2.184) 2.551 6.268 ( -0.283 0.000 2.133) 2.152 6.466 ( 0.067 0.000 5.056) 5.057 6.631 ( 1.110 0.000 -0.919) 1.441 6.687 ( 10.347 0.000 3.036) 10.783 6.716 ( 13.485 0.000 0.859) 13.512 6.945 ( 7.177 0.000 4.377) 8.407 7.054 ( 13.094 0.000 0.024) 13.094 7.474 ( 6.061 0.000 0.062) 6.062 7.517 ( -5.078 0.000 1.741) 5.368 7.889 ( 1.003 0.000 0.912) 1.356 8.101 ( -1.480 0.000 1.191) 1.900 8.404 ( 11.006 0.000 -5.401) 12.259 8.478 ( 18.007 0.000 -5.121) 18.721 9.021 ( 16.658 0.000 4.494) 17.253 9.151 ( 9.240 0.000 -2.512) 9.575 9.291 ( 3.641 0.000 5.763) 6.817 9.445 ( 2.458 0.000 7.539) 7.929 9.865 ( 1.706 0.000 -2.275) 2.844 9.894 ( -0.342 0.000 -1.668) 1.703 9.969 ( 10.245 0.000 4.079) 11.027 10.036 ( 14.019 0.000 5.882) 15.203 10.418 ( 3.943 0.000 -5.375) 6.666 10.470 ( 3.623 0.000 -6.646) 7.569 11.520 ( 8.614 0.000 2.620) 9.004 11.547 ( 7.687 0.000 0.426) 7.699 11.801 ( -8.354 0.000 -7.516) 11.238 11.822 ( -13.033 0.000 -3.349) 13.457 12.232 ( -7.786 0.000 2.002) 8.039 12.557 ( -19.007 0.000 7.226) 20.335 12.720 ( -29.609 0.000 -0.088) 29.609 12.750 ( -27.810 0.000 -0.066) 27.810 13.020 ( -17.736 0.000 2.740) 17.946 13.119 ( -12.791 0.000 -2.956) 13.129 13.281 ( 0.177 0.000 2.182) 2.189 13.400 ( -1.905 0.000 -1.824) 2.638 13.873 ( -14.676 0.000 0.199) 14.677 13.896 ( -19.473 0.000 0.108) 19.473 14.802 ( -12.090 0.000 -0.488) 12.099 14.908 ( -14.130 0.000 -0.280) 14.133 16.735 ( 31.584 0.000 1.491) 31.619 17.048 ( 25.453 0.000 -3.012) 25.630 18.509 ( 0.717 0.000 1.202) 1.399 18.522 ( -4.518 0.000 1.408) 4.732 18.817 ( 14.817 0.000 0.253) 14.819 19.081 ( 17.241 0.000 2.776) 17.463 21.260 ( -18.422 0.000 0.350) 18.426 21.347 ( -17.499 0.000 0.146) 17.500 22.433 ( 5.601 0.000 -0.073) 5.601 22.482 ( 8.164 0.000 -0.803) 8.204 22.816 ( 7.847 0.000 -1.516) 7.992 22.928 ( 6.277 0.000 0.623) 6.308 27.511 ( 1.412 0.000 -0.124) 1.417 27.518 ( 1.505 0.000 0.176) 1.515 27.879 ( -7.189 0.000 -0.027) 7.189 27.931 ( -7.820 0.000 -0.248) 7.823 29.381 ( 16.228 0.000 1.212) 16.273 29.420 ( 14.950 0.000 2.214) 15.113 29.665 ( 25.514 0.000 0.798) 25.526 29.884 ( 14.755 0.000 -1.231) 14.807 30.080 ( 4.596 0.000 -0.227) 4.601 30.450 ( 6.919 0.000 -2.032) 7.211 30.612 ( 6.732 0.000 -3.286) 7.491 30.915 ( 2.846 0.000 15.225) 15.488 30.933 ( -1.235 0.000 0.053) 1.236 31.129 ( -5.664 0.000 -16.017) 16.989 31.584 ( -9.338 0.000 1.130) 9.406 31.621 ( -12.012 0.000 1.882) 12.159 32.017 ( -3.559 0.000 -0.758) 3.639 32.338 ( -7.126 0.000 0.607) 7.151 32.479 ( -9.597 0.000 0.709) 9.624 32.843 ( -19.222 0.000 -1.704) 19.298 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 5.296 0.000 3.625) 6.418 2.127 ( -0.514 0.000 4.848) 4.875 2.225 ( -1.886 0.000 -0.980) 2.125 2.288 ( 3.953 0.000 0.831) 4.039 2.317 ( 2.803 0.000 1.124) 3.020 2.361 ( -4.747 0.000 1.792) 5.074 2.581 ( -0.879 0.000 -2.789) 2.924 2.693 ( 4.241 0.000 -1.407) 4.468 2.723 ( 9.378 0.000 4.216) 10.282 2.957 ( 8.817 0.000 0.764) 8.850 3.028 ( -0.912 0.000 -5.441) 5.517 3.045 ( 7.738 0.000 0.845) 7.784 3.221 ( 4.879 0.000 5.020) 7.000 3.420 ( -6.663 0.000 -2.628) 7.162 3.429 ( -2.116 0.000 4.542) 5.010 3.535 ( 4.559 0.000 -1.641) 4.845 3.615 ( 6.842 0.000 4.837) 8.379 3.739 ( 1.224 0.000 3.629) 3.830 3.841 ( -5.135 0.000 -1.543) 5.362 3.870 ( -3.060 0.000 -2.660) 4.054 3.886 ( 4.406 0.000 0.497) 4.434 4.140 ( 3.404 0.000 5.167) 6.188 4.249 ( -4.284 0.000 -1.704) 4.611 4.388 ( 6.497 0.000 -3.173) 7.230 4.502 ( -10.871 0.000 3.606) 11.453 4.841 ( -8.538 0.000 -9.762) 12.969 4.878 ( -15.544 0.000 -11.132) 19.120 5.170 ( -1.797 0.000 -1.884) 2.604 5.250 ( 1.576 0.000 -4.333) 4.611 5.304 ( 4.044 0.000 -1.254) 4.234 5.540 ( 4.012 0.000 0.711) 4.074 5.678 ( 2.043 0.000 2.428) 3.173 5.765 ( 3.964 0.000 2.666) 4.777 5.879 ( 0.734 0.000 2.089) 2.214 5.950 ( 7.348 0.000 3.450) 8.117 6.088 ( -4.722 0.000 -2.876) 5.529 6.175 ( 9.638 0.000 -8.320) 12.732 6.392 ( 11.211 0.000 0.130) 11.212 6.437 ( -1.890 0.000 0.306) 1.915 6.569 ( -6.918 0.000 5.079) 8.582 6.878 ( 9.839 0.000 1.470) 9.949 6.909 ( 5.417 0.000 0.213) 5.422 7.099 ( 3.298 0.000 1.489) 3.619 7.137 ( -6.772 0.000 3.010) 7.411 7.612 ( 5.561 0.000 0.287) 5.568 7.626 ( 14.470 0.000 3.751) 14.948 7.925 ( 2.143 0.000 2.181) 3.058 8.038 ( -4.481 0.000 -3.930) 5.960 8.672 ( 12.968 0.000 -1.977) 13.117 8.839 ( 15.325 0.000 -4.997) 16.119 9.270 ( 2.125 0.000 4.286) 4.783 9.312 ( 1.802 0.000 3.668) 4.087 9.435 ( 14.240 0.000 2.012) 14.381 9.558 ( 11.692 0.000 1.260) 11.760 9.818 ( -5.347 0.000 0.821) 5.409 9.857 ( -1.284 0.000 0.678) 1.452 10.290 ( 20.818 0.000 2.393) 20.955 10.396 ( 21.177 0.000 4.485) 21.647 10.636 ( 11.869 0.000 -7.159) 13.861 10.638 ( 15.927 0.000 -6.087) 17.051 11.444 ( -20.686 0.000 1.576) 20.746 11.508 ( -18.852 0.000 -4.132) 19.299 11.535 ( -15.101 0.000 0.897) 15.128 11.610 ( -13.391 0.000 -0.322) 13.395 12.012 ( -6.999 0.000 -2.532) 7.442 12.194 ( -7.686 0.000 1.800) 7.894 12.350 ( -0.550 0.000 1.016) 1.156 12.413 ( -3.868 0.000 3.951) 5.529 12.639 ( -19.617 0.000 1.333) 19.663 12.778 ( -17.366 0.000 -3.036) 17.630 13.000 ( -19.289 0.000 1.883) 19.381 13.117 ( -20.445 0.000 -1.180) 20.479 13.918 ( 14.221 0.000 0.549) 14.231 13.934 ( 13.092 0.000 0.745) 13.114 14.541 ( -13.288 0.000 -0.700) 13.306 14.600 ( -15.636 0.000 -0.386) 15.641 17.324 ( 25.544 0.000 1.237) 25.574 17.517 ( 20.566 0.000 -0.560) 20.573 18.197 ( -18.604 0.000 -0.088) 18.604 18.252 ( -16.043 0.000 -0.518) 16.052 19.471 ( 35.473 0.000 0.715) 35.480 19.665 ( 32.540 0.000 1.735) 32.587 20.795 ( -26.555 0.000 0.099) 26.555 20.905 ( -25.199 0.000 -0.008) 25.199 22.584 ( 8.513 0.000 -0.191) 8.515 22.662 ( 9.049 0.000 -0.639) 9.072 22.876 ( -1.515 0.000 -0.652) 1.650 22.964 ( -2.305 0.000 0.442) 2.347 27.554 ( 2.853 0.000 -0.092) 2.854 27.565 ( 3.168 0.000 0.162) 3.172 27.741 ( -6.126 0.000 0.022) 6.126 27.777 ( -6.957 0.000 -0.119) 6.958 29.696 ( 10.981 0.000 1.924) 11.149 29.697 ( 13.558 0.000 1.196) 13.610 29.977 ( 5.409 0.000 -0.321) 5.418 30.118 ( -1.141 0.000 -0.270) 1.172 30.241 ( 18.807 0.000 -1.031) 18.835 30.597 ( 5.390 0.000 -1.130) 5.507 30.774 ( 8.500 0.000 -0.632) 8.523 30.922 ( 1.222 0.000 0.641) 1.380 30.984 ( 1.796 0.000 -8.320) 8.512 31.030 ( -1.522 0.000 7.017) 7.181 31.359 ( -13.189 0.000 1.042) 13.231 31.378 ( -10.552 0.000 -0.170) 10.553 32.002 ( 2.976 0.000 -0.385) 3.001 32.220 ( -4.007 0.000 0.081) 4.008 32.310 ( -6.374 0.000 0.567) 6.400 32.461 ( -17.324 0.000 -1.168) 17.363 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.000 0.000 -0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 -0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 -0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 -0.000) 0.000 2.783 ( -0.000 0.000 -0.000) 0.000 3.013 ( 0.000 0.000 -0.000) 0.000 3.183 ( -0.000 0.000 -0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.305 ( -0.000 0.000 -0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.679 ( -0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 -0.000) 0.000 3.713 ( 0.000 0.000 -0.000) 0.000 3.788 ( 0.000 0.000 -0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 -0.000) 0.000 4.212 ( -0.000 0.000 -0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 -0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 -0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 -0.000) 0.000 5.599 ( 0.000 0.000 -0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.753 ( -0.000 0.000 -0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 5.996 ( -0.000 0.000 -0.000) 0.000 6.038 ( 0.000 0.000 -0.000) 0.000 6.355 ( 0.000 0.000 -0.000) 0.000 6.410 ( -0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.975 ( -0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 -0.000) 0.000 7.056 ( -0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 -0.000) 0.000 7.669 ( 0.000 0.000 -0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.916 ( -0.000 0.000 -0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 -0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.282 ( 0.000 0.000 -0.000) 0.000 9.656 ( 0.000 0.000 -0.000) 0.000 9.723 ( 0.000 0.000 -0.000) 0.000 9.787 ( -0.000 0.000 0.000) 0.000 9.791 ( 0.000 0.000 -0.000) 0.000 10.758 ( 0.000 0.000 -0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 -0.000) 0.000 11.024 ( -0.000 0.000 -0.000) 0.000 11.099 ( -0.000 0.000 -0.000) 0.000 11.174 ( 0.000 0.000 0.000) 0.000 11.260 ( 0.000 0.000 0.000) 0.000 12.137 ( -0.000 0.000 0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.286 ( 0.000 0.000 0.000) 0.000 12.417 ( -0.000 0.000 0.000) 0.000 12.422 ( 0.000 0.000 0.000) 0.000 12.521 ( 0.000 0.000 -0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 14.182 ( -0.000 0.000 0.000) 0.000 14.199 ( -0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 -0.000) 0.000 14.316 ( 0.000 0.000 0.000) 0.000 17.776 ( 0.000 0.000 -0.000) 0.000 17.816 ( 0.000 0.000 0.000) 0.000 17.881 ( 0.000 0.000 0.000) 0.000 17.933 ( -0.000 0.000 -0.000) 0.000 20.145 ( -0.000 0.000 0.000) 0.000 20.216 ( 0.000 0.000 -0.000) 0.000 20.323 ( 0.000 0.000 0.000) 0.000 20.327 ( -0.000 0.000 0.000) 0.000 22.725 ( -0.000 0.000 0.000) 0.000 22.807 ( 0.000 0.000 -0.000) 0.000 22.808 ( 0.000 0.000 -0.000) 0.000 22.887 ( -0.000 0.000 0.000) 0.000 27.625 ( 0.000 0.000 0.000) 0.000 27.636 ( -0.000 0.000 0.000) 0.000 27.644 ( 0.000 0.000 -0.000) 0.000 27.657 ( -0.000 0.000 -0.000) 0.000 29.826 ( 0.000 0.000 0.000) 0.000 29.872 ( 0.000 0.000 -0.000) 0.000 30.010 ( 0.000 0.000 -0.000) 0.000 30.073 ( -0.000 0.000 -0.000) 0.000 30.533 ( 0.000 0.000 0.000) 0.000 30.568 ( 0.000 0.000 -0.000) 0.000 30.911 ( 0.000 0.000 0.000) 0.000 30.927 ( -0.000 0.000 -0.000) 0.000 31.010 ( -0.000 0.000 0.000) 0.000 31.114 ( 0.000 0.000 -0.000) 0.000 31.147 ( 0.000 0.000 0.000) 0.000 31.199 ( 0.000 0.000 -0.000) 0.000 32.151 ( -0.000 0.000 -0.000) 0.000 32.159 ( 0.000 0.000 0.000) 0.000 32.180 ( 0.000 0.000 0.000) 0.000 32.239 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 25.662 0.000) 25.662 0.590 ( 0.000 31.639 0.000) 31.639 1.016 ( 0.000 46.386 0.000) 46.386 1.391 ( 0.000 -10.197 0.000) 10.197 1.660 ( 0.000 -23.025 0.000) 23.025 2.407 ( 0.000 7.763 0.000) 7.763 2.470 ( 0.000 -7.374 0.000) 7.374 2.556 ( 0.000 10.950 0.000) 10.950 2.572 ( 0.000 -1.142 0.000) 1.142 2.797 ( 0.000 1.294 0.000) 1.294 2.903 ( 0.000 -14.820 0.000) 14.820 2.925 ( 0.000 2.144 0.000) 2.144 2.988 ( 0.000 -9.700 0.000) 9.700 3.170 ( 0.000 9.493 0.000) 9.493 3.238 ( 0.000 -6.981 0.000) 6.981 3.288 ( 0.000 3.718 0.000) 3.718 3.653 ( 0.000 -5.829 0.000) 5.829 3.674 ( 0.000 -5.642 0.000) 5.642 3.864 ( 0.000 3.523 0.000) 3.523 4.008 ( 0.000 -1.332 0.000) 1.332 4.044 ( 0.000 0.018 0.000) 0.018 4.173 ( 0.000 -4.126 0.000) 4.126 4.343 ( 0.000 0.480 0.000) 0.480 4.384 ( 0.000 3.346 0.000) 3.346 4.583 ( 0.000 0.849 0.000) 0.849 4.619 ( 0.000 -7.020 0.000) 7.020 4.689 ( 0.000 2.190 0.000) 2.190 4.789 ( 0.000 -0.925 0.000) 0.925 5.086 ( 0.000 1.919 0.000) 1.919 5.278 ( 0.000 6.853 0.000) 6.853 5.278 ( 0.000 -4.261 0.000) 4.261 5.384 ( 0.000 1.422 0.000) 1.422 5.536 ( 0.000 3.411 0.000) 3.411 5.682 ( 0.000 -2.272 0.000) 2.272 5.913 ( 0.000 2.790 0.000) 2.790 5.996 ( 0.000 -0.673 0.000) 0.673 6.136 ( 0.000 0.306 0.000) 0.306 6.230 ( 0.000 -4.758 0.000) 4.758 6.262 ( 0.000 5.014 0.000) 5.014 6.322 ( 0.000 1.727 0.000) 1.727 6.431 ( 0.000 -0.391 0.000) 0.391 6.438 ( 0.000 -3.375 0.000) 3.375 6.962 ( 0.000 5.744 0.000) 5.744 7.182 ( 0.000 -4.060 0.000) 4.060 7.594 ( 0.000 0.308 0.000) 0.308 7.633 ( 0.000 5.652 0.000) 5.652 7.650 ( 0.000 -3.535 0.000) 3.535 7.893 ( 0.000 -4.581 0.000) 4.581 8.198 ( 0.000 3.809 0.000) 3.809 8.369 ( 0.000 -2.294 0.000) 2.294 8.518 ( 0.000 5.242 0.000) 5.242 8.748 ( 0.000 -4.752 0.000) 4.752 9.001 ( 0.000 6.256 0.000) 6.256 9.368 ( 0.000 -9.652 0.000) 9.652 9.553 ( 0.000 1.516 0.000) 1.516 9.602 ( 0.000 0.025 0.000) 0.025 9.771 ( 0.000 2.910 0.000) 2.910 9.882 ( 0.000 -2.202 0.000) 2.202 10.620 ( 0.000 1.651 0.000) 1.651 10.674 ( 0.000 -0.732 0.000) 0.732 11.331 ( 0.000 0.590 0.000) 0.590 11.366 ( 0.000 -0.888 0.000) 0.888 11.883 ( 0.000 2.084 0.000) 2.084 11.989 ( 0.000 -2.508 0.000) 2.508 12.438 ( 0.000 0.902 0.000) 0.902 12.458 ( 0.000 -0.001 0.000) 0.001 12.899 ( 0.000 0.380 0.000) 0.380 12.917 ( 0.000 -0.364 0.000) 0.364 13.878 ( 0.000 2.319 0.000) 2.319 13.977 ( 0.000 -1.753 0.000) 1.753 14.185 ( 0.000 -0.342 0.000) 0.342 14.187 ( 0.000 -0.564 0.000) 0.564 14.849 ( 0.000 1.079 0.000) 1.079 14.885 ( 0.000 -0.478 0.000) 0.478 15.158 ( 0.000 0.552 0.000) 0.552 15.184 ( 0.000 -0.507 0.000) 0.507 15.452 ( 0.000 0.592 0.000) 0.592 15.486 ( 0.000 -0.860 0.000) 0.860 17.207 ( 0.000 1.728 0.000) 1.728 17.291 ( 0.000 -1.869 0.000) 1.869 19.917 ( 0.000 0.365 0.000) 0.365 19.936 ( 0.000 -0.454 0.000) 0.454 21.680 ( 0.000 0.164 0.000) 0.164 21.688 ( 0.000 -0.172 0.000) 0.172 22.138 ( 0.000 0.301 0.000) 0.301 22.154 ( 0.000 -0.362 0.000) 0.362 22.257 ( 0.000 2.731 0.000) 2.731 22.378 ( 0.000 -2.489 0.000) 2.489 27.495 ( 0.000 0.003 0.000) 0.003 27.496 ( 0.000 -0.006 0.000) 0.006 28.228 ( 0.000 0.020 0.000) 0.020 28.229 ( 0.000 -0.018 0.000) 0.018 28.259 ( 0.000 0.026 0.000) 0.026 28.260 ( 0.000 -0.025 0.000) 0.025 28.753 ( 0.000 0.615 0.000) 0.615 28.783 ( 0.000 -0.676 0.000) 0.676 29.772 ( 0.000 1.339 0.000) 1.339 29.830 ( 0.000 -1.150 0.000) 1.150 30.464 ( 0.000 1.184 0.000) 1.184 30.529 ( 0.000 -1.638 0.000) 1.638 30.996 ( 0.000 0.205 0.000) 0.205 31.006 ( 0.000 -0.264 0.000) 0.264 31.925 ( 0.000 2.638 0.000) 2.638 32.021 ( 0.000 -1.518 0.000) 1.518 32.685 ( 0.000 2.651 0.000) 2.651 32.861 ( 0.000 -5.235 0.000) 5.235 33.693 ( 0.000 5.277 0.000) 5.277 33.887 ( 0.000 -3.395 0.000) 3.395 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 23.177 17.051 0.973) 28.790 0.981 ( 25.873 19.675 -2.787) 32.623 1.438 ( 30.420 13.514 5.162) 33.684 1.525 ( 16.677 5.880 1.706) 17.765 1.902 ( 17.488 -20.285 -2.748) 26.924 2.441 ( 3.245 2.798 0.135) 4.287 2.486 ( 1.750 0.064 -0.338) 1.783 2.582 ( -0.439 -1.084 -0.085) 1.172 2.633 ( -2.314 -2.554 -1.580) 3.792 2.684 ( 6.072 3.838 5.361) 8.963 2.964 ( 6.233 7.390 1.019) 9.721 3.009 ( 0.797 -10.263 -0.544) 10.309 3.048 ( 1.557 -3.464 -1.185) 3.979 3.126 ( 3.229 2.788 2.567) 4.979 3.317 ( 3.016 -1.276 0.395) 3.298 3.480 ( 11.052 -4.643 -0.957) 12.025 3.565 ( -5.238 -4.281 1.598) 6.951 3.771 ( 2.082 -3.796 -7.080) 8.299 3.829 ( -0.891 -2.396 -2.405) 3.510 3.955 ( -5.628 -0.418 -2.011) 5.992 4.077 ( 3.077 2.544 6.304) 7.462 4.115 ( -1.534 1.868 8.318) 8.663 4.226 ( -2.600 -0.545 -3.093) 4.077 4.369 ( -0.237 0.173 6.756) 6.763 4.453 ( -9.912 -4.337 -2.128) 11.027 4.634 ( 2.626 -9.578 5.156) 11.190 4.794 ( 7.110 3.467 -3.237) 8.547 4.832 ( 7.350 1.953 -3.801) 8.502 5.133 ( 1.890 4.497 -1.421) 5.081 5.248 ( -2.373 5.991 -2.243) 6.823 5.367 ( 1.986 -1.697 -5.531) 6.117 5.487 ( 7.706 -5.757 -8.191) 12.634 5.552 ( 1.385 3.263 -1.033) 3.692 5.709 ( 2.576 -4.433 1.546) 5.356 5.866 ( -2.465 2.810 0.622) 3.789 6.025 ( 1.484 -4.558 1.759) 5.106 6.136 ( -0.055 3.254 -1.013) 3.408 6.242 ( 0.102 4.977 3.642) 6.168 6.264 ( 2.705 -3.660 9.817) 10.821 6.349 ( 1.524 1.974 -2.496) 3.528 6.428 ( 1.461 -0.054 2.539) 2.929 6.507 ( 5.835 -5.974 -0.148) 8.352 6.958 ( -5.349 9.366 -0.861) 10.820 7.006 ( -1.396 9.375 4.024) 10.298 7.483 ( -7.819 -0.363 -2.670) 8.270 7.664 ( 0.610 -7.036 -0.440) 7.076 7.797 ( 4.860 0.871 -2.212) 5.410 7.932 ( 5.061 -4.782 -1.042) 7.040 8.207 ( -1.834 6.009 -0.827) 6.337 8.348 ( -1.886 -0.958 -0.416) 2.156 8.543 ( 4.515 4.586 -2.498) 6.903 8.746 ( 5.910 -3.379 -1.225) 6.917 9.068 ( 6.238 4.154 3.854) 8.428 9.358 ( -1.025 -8.085 5.322) 9.733 9.588 ( 5.032 2.671 1.821) 5.981 9.658 ( 5.085 -0.490 1.006) 5.207 9.803 ( 1.258 1.586 0.090) 2.026 9.887 ( 0.302 -1.836 -2.148) 2.842 10.569 ( -3.933 0.582 -1.590) 4.282 10.610 ( -5.488 -0.596 -1.955) 5.857 11.307 ( -0.892 0.559 1.865) 2.141 11.354 ( -0.271 -1.282 1.228) 1.795 11.888 ( 0.843 1.675 -4.093) 4.502 11.980 ( -0.547 -2.018 -3.690) 4.241 12.587 ( 10.634 0.428 2.186) 10.864 12.604 ( 11.472 -0.026 2.114) 11.665 12.721 ( -3.000 7.066 2.040) 7.943 13.092 ( -3.655 -13.804 7.149) 15.969 13.746 ( -11.206 6.133 2.362) 12.992 13.862 ( -14.211 -1.078 -1.392) 14.320 13.932 ( -16.973 3.994 -0.988) 17.464 14.178 ( -21.929 -8.454 -6.011) 24.259 14.783 ( -13.368 0.898 0.503) 13.408 14.829 ( -12.715 -1.269 -1.186) 12.833 15.204 ( -0.413 0.603 0.115) 0.740 15.317 ( -1.352 -5.588 -0.732) 5.796 15.513 ( 13.951 -0.892 0.344) 13.984 15.572 ( 32.317 -9.122 -4.398) 33.867 17.440 ( 22.894 5.378 -0.933) 23.536 17.692 ( 24.049 -9.773 11.982) 28.591 19.611 ( -23.468 2.628 2.108) 23.708 19.659 ( -21.628 -0.592 -2.769) 21.812 21.679 ( -2.189 0.768 0.300) 2.340 21.709 ( -0.764 -0.606 0.021) 0.976 22.199 ( 5.235 2.604 0.762) 5.896 22.285 ( 9.277 0.970 -5.932) 11.054 22.354 ( 11.759 0.607 5.886) 13.164 22.375 ( 3.799 -0.396 -1.808) 4.226 27.493 ( -0.139 0.020 -0.067) 0.155 27.494 ( -0.011 -0.056 0.050) 0.076 28.184 ( -5.654 0.876 -0.137) 5.723 28.209 ( -4.649 -0.305 -0.377) 4.674 28.507 ( 25.018 3.658 0.479) 25.288 28.836 ( 8.034 0.637 0.517) 8.076 28.869 ( 8.420 -0.980 1.340) 8.583 28.951 ( 34.425 -24.621 1.450) 42.348 29.836 ( 5.761 2.012 0.726) 6.146 30.035 ( 13.490 -13.692 -0.199) 19.222 30.474 ( 1.449 1.685 -6.076) 6.470 30.609 ( 6.245 -9.401 19.587) 22.605 30.991 ( -1.015 -0.262 -2.384) 2.604 31.011 ( 1.267 -3.090 -16.276) 16.615 31.884 ( -3.948 2.320 1.448) 4.803 31.972 ( -4.733 -1.465 1.517) 5.182 32.633 ( -5.093 2.365 0.908) 5.689 32.751 ( -10.577 0.229 -3.535) 11.154 33.229 ( -34.658 30.732 0.973) 46.332 33.542 ( -13.708 1.197 -0.935) 13.792 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 24.171 7.663 3.670) 25.621 1.499 ( 24.565 9.745 -1.945) 26.499 1.846 ( 20.679 -10.873 6.297) 24.197 2.026 ( 10.426 -6.861 5.146) 13.500 2.235 ( 15.553 8.852 3.312) 18.199 2.439 ( -0.970 0.305 -3.028) 3.195 2.493 ( -0.786 -1.251 2.878) 3.235 2.623 ( 4.693 2.850 -1.105) 5.601 2.653 ( 2.770 -1.866 0.072) 3.341 2.781 ( -2.325 3.762 4.512) 6.318 2.946 ( -1.193 7.638 -1.427) 7.861 2.981 ( 0.883 -0.865 0.048) 1.237 3.232 ( 5.735 -5.500 -0.118) 7.947 3.250 ( 3.908 1.974 -1.772) 4.724 3.388 ( 5.106 -3.521 1.863) 6.476 3.457 ( 0.809 0.049 1.172) 1.425 3.689 ( 6.733 -2.836 -5.599) 9.205 3.758 ( -6.190 -1.516 0.937) 6.441 3.823 ( 6.679 -0.301 -6.434) 9.279 3.945 ( 2.561 -6.695 -2.729) 7.670 3.960 ( -8.579 2.894 3.765) 9.806 4.104 ( -7.441 1.319 0.276) 7.562 4.196 ( -0.701 -1.853 0.913) 2.181 4.266 ( -0.280 -2.555 -1.950) 3.226 4.513 ( 12.082 -0.678 2.496) 12.355 4.724 ( 5.939 -9.618 1.985) 11.477 5.024 ( 9.890 2.163 -0.437) 10.133 5.095 ( -1.909 6.392 -2.742) 7.213 5.129 ( 15.368 0.850 -0.377) 15.396 5.207 ( 0.542 3.659 -1.061) 3.848 5.416 ( 2.299 -0.125 -1.669) 2.844 5.557 ( -1.411 -3.775 -5.664) 6.951 5.569 ( 2.124 4.563 -0.863) 5.106 5.766 ( 1.699 -5.917 -2.100) 6.504 5.872 ( 3.888 1.768 0.909) 4.367 6.052 ( -0.121 -4.738 0.347) 4.752 6.108 ( -0.500 4.183 -0.380) 4.230 6.297 ( -0.338 -3.284 6.648) 7.422 6.356 ( 8.074 1.598 -0.109) 8.231 6.394 ( 5.429 1.449 3.444) 6.591 6.486 ( 4.128 0.151 -0.508) 4.162 6.662 ( 8.148 -7.748 2.226) 11.462 6.825 ( -3.661 11.039 -0.451) 11.639 7.058 ( 3.525 7.494 3.907) 9.157 7.353 ( -3.116 -2.399 -2.327) 4.569 7.607 ( -4.170 -5.974 1.225) 7.388 7.916 ( 3.701 4.240 0.265) 5.634 8.042 ( 5.558 -2.729 1.619) 6.400 8.219 ( 6.028 3.790 -4.793) 8.584 8.306 ( -0.074 0.113 -6.650) 6.652 8.732 ( 12.715 3.133 1.621) 13.195 8.923 ( 9.415 -4.865 -1.297) 10.676 9.211 ( 6.426 2.688 5.381) 8.802 9.363 ( 1.717 -4.244 6.954) 8.325 9.736 ( 8.605 1.887 2.392) 9.129 9.801 ( 8.624 -0.571 3.718) 9.409 9.843 ( 2.979 0.619 -1.708) 3.489 9.893 ( 0.582 -1.239 -1.821) 2.278 10.465 ( -5.227 0.264 -3.039) 6.052 10.490 ( -4.825 -0.438 -3.742) 6.122 11.352 ( 5.592 0.132 2.837) 6.272 11.395 ( 4.617 -1.550 1.816) 5.198 11.894 ( -0.924 1.052 -6.936) 7.076 11.958 ( -2.111 -1.315 -6.303) 6.776 12.499 ( -11.593 5.885 4.583) 13.785 12.795 ( -5.727 -6.427 7.440) 11.378 12.931 ( 12.609 0.269 1.981) 12.766 12.973 ( 3.173 -3.562 1.211) 4.921 13.409 ( -21.193 1.926 0.641) 21.290 13.446 ( -23.854 -0.287 -1.198) 23.886 13.488 ( -22.745 5.388 -0.234) 23.375 13.666 ( -23.463 -2.924 -3.337) 23.879 14.366 ( -25.169 1.275 0.442) 25.205 14.410 ( -25.420 -0.624 -0.273) 25.429 15.054 ( -10.523 1.642 -0.155) 10.652 15.150 ( -11.058 -2.389 -0.229) 11.316 16.073 ( 33.883 2.122 0.884) 33.961 16.332 ( 35.046 -11.532 -4.295) 37.144 18.017 ( 31.150 5.213 0.350) 31.586 18.198 ( 24.964 -3.204 7.846) 26.363 19.121 ( -22.678 1.785 0.691) 22.759 19.195 ( -20.678 -1.588 -1.031) 20.764 21.559 ( -9.712 1.140 0.360) 9.785 21.609 ( -9.111 -1.023 0.205) 9.170 22.305 ( 5.693 -1.430 -0.211) 5.874 22.349 ( 2.093 -1.925 2.173) 3.579 22.615 ( 14.976 4.436 -3.776) 16.069 22.697 ( 15.224 -0.383 0.457) 15.235 27.494 ( 0.382 0.065 -0.087) 0.397 27.498 ( 0.435 -0.083 0.104) 0.455 28.043 ( -7.515 1.092 -0.131) 7.595 28.082 ( -7.254 -0.640 -0.387) 7.292 29.068 ( 14.285 0.737 1.234) 14.357 29.104 ( 14.787 -0.448 2.260) 14.965 29.118 ( 30.220 5.758 0.125) 30.764 29.487 ( 20.962 -8.935 0.166) 22.788 29.980 ( 7.550 3.074 -0.421) 8.162 30.246 ( 7.870 -9.446 -1.380) 12.372 30.524 ( 3.712 1.886 -4.116) 5.855 30.743 ( 5.075 -12.482 22.166) 25.940 30.963 ( -1.429 0.031 -1.989) 2.449 31.021 ( 0.178 -7.256 -21.362) 22.561 31.768 ( -7.324 1.576 1.986) 7.751 31.833 ( -8.812 -1.132 2.265) 9.169 32.442 ( -14.049 13.260 -1.596) 19.384 32.511 ( -8.898 2.234 -0.143) 9.176 32.764 ( -14.756 12.472 1.160) 19.355 33.193 ( -18.945 -4.138 -1.590) 19.457 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 13.125 -3.764 3.818) 14.177 1.965 ( 18.356 1.208 -0.393) 18.400 2.099 ( 0.762 -13.907 0.442) 13.935 2.268 ( 2.700 -4.519 -0.639) 5.303 2.303 ( 14.991 2.219 11.055) 18.758 2.462 ( -1.388 -0.643 3.470) 3.792 2.515 ( -0.502 9.534 1.612) 9.682 2.645 ( -0.961 -0.120 -1.168) 1.517 2.706 ( -2.246 7.875 -0.947) 8.244 2.759 ( 7.301 -1.208 -0.033) 7.400 2.994 ( 6.686 5.116 1.088) 8.489 3.098 ( 6.363 2.757 5.809) 9.046 3.133 ( -7.414 0.964 -3.683) 8.335 3.323 ( 5.624 -2.256 -0.516) 6.082 3.455 ( 1.227 -2.664 2.663) 3.962 3.553 ( 0.147 -1.219 3.048) 3.286 3.653 ( -3.120 3.362 1.893) 4.962 3.732 ( -5.099 -0.338 2.843) 5.848 3.801 ( 2.803 0.390 -5.648) 6.318 3.895 ( -5.988 -5.439 -1.358) 8.202 3.985 ( 1.503 0.824 -4.398) 4.720 4.080 ( 4.654 2.354 -3.084) 6.059 4.194 ( 0.997 -2.898 1.336) 3.343 4.294 ( 1.541 -2.665 -2.055) 3.701 4.802 ( 2.057 4.342 1.904) 5.168 4.875 ( 10.569 3.128 -2.016) 11.205 5.008 ( 0.676 -1.499 -6.216) 6.430 5.082 ( 2.634 -5.684 -6.822) 9.262 5.233 ( -4.058 0.041 -3.004) 5.049 5.274 ( -4.890 -2.590 -6.283) 8.372 5.484 ( 1.860 0.448 1.919) 2.710 5.566 ( 6.581 0.636 1.059) 6.696 5.661 ( 7.694 6.357 2.191) 10.219 5.844 ( 4.626 0.378 0.827) 4.715 5.943 ( 4.144 -1.629 -1.085) 4.583 6.013 ( -1.750 1.034 -0.023) 2.033 6.131 ( 0.049 -0.978 -0.901) 1.331 6.271 ( 0.078 -3.044 4.447) 5.390 6.452 ( 3.036 -0.856 2.984) 4.342 6.548 ( 2.154 -0.142 -0.008) 2.159 6.610 ( 6.673 -3.378 -1.836) 7.701 6.754 ( 5.058 -6.390 1.674) 8.320 6.972 ( 12.419 8.022 3.105) 15.107 7.182 ( 9.103 4.839 2.192) 10.539 7.366 ( 4.220 -2.198 0.741) 4.815 7.549 ( 0.269 -1.764 3.402) 3.842 7.950 ( 1.122 5.339 -0.619) 5.491 8.093 ( -0.607 -1.247 0.613) 1.516 8.419 ( 11.650 1.552 -5.800) 13.106 8.472 ( 16.431 -0.670 -5.135) 17.228 9.031 ( 15.716 1.161 2.854) 16.015 9.119 ( 10.307 -2.890 -1.444) 10.801 9.314 ( 3.459 2.135 6.125) 7.351 9.420 ( 2.708 -2.601 7.703) 8.570 9.862 ( 0.988 0.013 -2.132) 2.350 9.887 ( -0.709 -0.761 -1.593) 1.902 9.983 ( 11.594 1.402 4.278) 12.437 10.031 ( 13.772 -0.599 5.698) 14.916 10.428 ( 4.066 1.007 -5.881) 7.220 10.465 ( 3.737 -0.554 -6.580) 7.587 11.515 ( 8.600 -0.352 2.600) 8.991 11.535 ( 7.969 -1.134 1.138) 8.130 11.800 ( -9.494 0.584 -6.658) 11.611 11.834 ( -10.991 0.273 -5.422) 12.259 12.262 ( -9.772 3.410 3.302) 10.864 12.486 ( -17.147 -6.566 6.771) 19.570 12.723 ( -29.395 0.308 -0.096) 29.397 12.743 ( -28.198 -0.623 -0.136) 28.206 13.058 ( -18.325 3.109 1.624) 18.658 13.116 ( -14.163 -0.336 -2.424) 14.373 13.300 ( 0.859 1.847 1.969) 2.833 13.383 ( -1.283 -1.768 -0.906) 2.365 13.878 ( -15.572 0.476 0.117) 15.579 13.894 ( -18.927 -0.213 0.075) 18.928 14.818 ( -12.276 1.610 -0.489) 12.391 14.893 ( -13.746 -1.567 -0.349) 13.839 16.761 ( 31.546 2.889 1.161) 31.699 16.974 ( 27.744 -6.853 -1.823) 28.635 18.514 ( -1.589 0.471 0.867) 1.871 18.523 ( -4.961 0.094 1.319) 5.135 18.868 ( 16.544 5.007 0.198) 17.286 19.052 ( 17.644 -3.138 2.036) 18.036 21.273 ( -18.283 1.336 0.320) 18.335 21.334 ( -17.625 -1.298 0.169) 17.673 22.425 ( 6.443 -0.508 0.084) 6.463 22.459 ( 8.005 -1.952 0.999) 8.300 22.848 ( 7.029 2.798 -2.223) 7.885 22.922 ( 6.207 -0.768 -0.137) 6.256 27.512 ( 1.431 0.098 -0.078) 1.436 27.517 ( 1.497 -0.094 0.133) 1.506 27.888 ( -7.344 0.900 -0.059) 7.399 27.925 ( -7.777 -0.670 -0.216) 7.809 29.386 ( 16.041 0.504 1.370) 16.107 29.413 ( 15.137 -0.674 2.067) 15.292 29.705 ( 23.929 4.098 0.952) 24.296 29.860 ( 15.505 -2.532 -0.391) 15.715 30.123 ( 6.244 4.705 -0.941) 7.875 30.403 ( 8.132 -5.609 -2.060) 10.091 30.625 ( 6.346 1.602 -2.320) 6.944 30.839 ( 3.468 -9.524 13.005) 16.488 30.942 ( -0.117 0.574 0.061) 0.588 30.998 ( -1.283 -5.698 -14.869) 15.975 31.591 ( -9.773 0.700 1.290) 9.883 31.620 ( -11.725 -0.420 1.914) 11.888 32.193 ( -9.199 12.396 -0.657) 15.450 32.340 ( -7.622 -0.025 0.452) 7.635 32.509 ( -10.834 4.405 0.272) 11.698 32.797 ( -18.903 -5.070 -1.604) 19.636 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 4.322 -10.885 2.948) 12.077 2.010 ( -4.716 -14.833 0.403) 15.570 2.241 ( 3.606 0.821 -1.234) 3.898 2.285 ( 2.592 1.232 2.415) 3.751 2.382 ( -1.725 3.303 1.741) 4.113 2.470 ( -1.781 7.791 -0.290) 7.997 2.585 ( 2.514 -4.645 4.915) 7.215 2.633 ( -1.345 -1.377 -1.872) 2.685 2.783 ( 9.842 4.559 -1.416) 10.939 2.936 ( 5.491 -4.099 -1.882) 7.106 3.036 ( 4.755 5.163 1.728) 7.229 3.106 ( 3.168 3.104 -1.717) 4.756 3.256 ( 7.821 3.040 4.678) 9.607 3.405 ( -1.263 2.617 0.509) 2.950 3.479 ( -3.381 1.182 6.476) 7.401 3.539 ( 1.844 0.952 -1.556) 2.594 3.630 ( 7.677 -0.696 1.255) 7.810 3.677 ( -2.221 -4.815 1.748) 5.583 3.839 ( -0.242 -1.232 3.996) 4.189 3.868 ( 3.018 -1.343 -3.401) 4.741 3.945 ( -3.369 6.538 -1.615) 7.530 4.139 ( 2.721 2.010 1.210) 3.592 4.195 ( -2.440 -5.433 0.309) 5.964 4.308 ( -0.990 -2.109 -2.465) 3.392 4.698 ( -5.137 10.805 1.085) 12.013 4.833 ( -9.746 -1.051 -9.788) 13.853 4.906 ( -12.322 4.524 -8.110) 15.430 5.152 ( -2.920 -2.406 -0.632) 3.836 5.212 ( 5.187 -1.780 -2.766) 6.142 5.308 ( 7.285 -2.177 -3.719) 8.464 5.517 ( 4.174 -0.851 2.024) 4.716 5.660 ( 1.083 -2.151 3.020) 3.862 5.802 ( 0.143 3.971 -0.007) 3.973 5.859 ( 1.862 -0.970 -0.707) 2.216 6.008 ( 3.213 5.946 3.723) 7.716 6.082 ( -2.652 -1.132 -0.722) 2.973 6.138 ( 9.574 -3.879 -6.767) 12.349 6.344 ( 4.232 -8.547 3.260) 10.079 6.480 ( -0.468 3.872 -1.191) 4.078 6.540 ( 0.204 1.820 1.213) 2.197 6.722 ( 4.577 -6.407 2.044) 8.135 6.849 ( 2.143 -11.188 0.756) 11.416 7.118 ( 2.704 7.159 2.041) 7.920 7.254 ( -2.023 0.193 2.621) 3.317 7.584 ( 11.522 2.719 1.962) 12.000 7.658 ( 8.763 0.315 4.261) 9.749 7.978 ( 1.070 5.116 -0.914) 5.306 8.066 ( -1.263 1.563 -3.035) 3.640 8.692 ( 12.959 2.125 -2.528) 13.373 8.811 ( 14.501 -2.865 -4.729) 15.520 9.272 ( 2.539 0.232 4.274) 4.977 9.298 ( 2.821 -1.162 3.749) 4.834 9.446 ( 12.894 1.164 1.460) 13.028 9.530 ( 11.044 -2.670 1.387) 11.447 9.822 ( -4.023 0.456 0.948) 4.158 9.851 ( -1.380 -0.657 0.885) 1.766 10.312 ( 20.656 2.119 2.926) 20.970 10.386 ( 20.920 -1.142 4.399) 21.408 10.636 ( 13.517 0.304 -7.508) 15.465 10.645 ( 14.532 0.327 -6.441) 15.899 11.462 ( -20.585 1.771 0.752) 20.675 11.509 ( -18.898 -0.135 -2.827) 19.109 11.543 ( -14.522 0.882 0.796) 14.570 11.597 ( -13.125 -1.398 -0.241) 13.201 12.014 ( -7.960 0.603 -1.896) 8.205 12.142 ( -8.787 -4.878 1.472) 10.158 12.356 ( -0.919 0.645 1.249) 1.680 12.397 ( -3.128 -1.370 3.111) 4.620 12.676 ( -18.879 3.129 0.829) 19.154 12.764 ( -17.473 -1.375 -2.205) 17.665 13.025 ( -19.401 2.320 1.341) 19.585 13.105 ( -20.210 -1.350 -0.744) 20.269 13.921 ( 14.052 0.271 0.596) 14.067 13.932 ( 13.272 -0.193 0.712) 13.293 14.551 ( -13.615 0.991 -0.689) 13.668 14.592 ( -15.279 -0.790 -0.467) 15.307 17.345 ( 25.199 2.233 1.065) 25.321 17.480 ( 21.800 -3.669 -0.175) 22.107 18.205 ( -18.296 0.777 -0.150) 18.313 18.244 ( -16.492 -0.890 -0.452) 16.522 19.508 ( 34.723 3.630 0.642) 34.918 19.644 ( 32.744 -2.271 1.411) 32.853 20.812 ( -26.290 1.753 0.092) 26.348 20.890 ( -25.336 -1.590 0.013) 25.385 22.585 ( 8.629 0.333 0.107) 8.636 22.640 ( 9.043 -2.048 0.330) 9.278 22.898 ( -1.685 1.977 -1.196) 2.860 22.958 ( -2.195 -0.745 -0.061) 2.319 27.556 ( 2.909 0.170 -0.055) 2.914 27.563 ( 3.130 -0.145 0.125) 3.136 27.747 ( -6.281 0.578 0.003) 6.308 27.772 ( -6.864 -0.498 -0.097) 6.883 29.695 ( 11.646 -0.075 1.721) 11.773 29.696 ( 12.873 -0.096 1.422) 12.952 29.993 ( 4.940 1.602 -0.184) 5.196 30.081 ( 2.454 -2.821 -0.041) 3.739 30.318 ( 14.788 7.094 -1.498) 16.470 30.575 ( 7.232 -2.927 -1.588) 7.962 30.773 ( 7.210 0.013 -0.291) 7.216 30.877 ( 0.175 -5.685 -0.330) 5.697 30.977 ( 0.671 -0.811 -7.418) 7.492 30.987 ( 4.363 -1.445 7.078) 8.440 31.364 ( -12.777 0.415 0.916) 12.816 31.376 ( -10.907 -0.180 0.022) 10.909 32.083 ( -0.995 6.930 -0.164) 7.003 32.216 ( -4.103 -0.643 0.148) 4.156 32.320 ( -7.231 1.279 0.268) 7.348 32.435 ( -15.729 -2.768 -1.041) 16.004 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 -12.675 0.000) 12.675 1.927 ( 0.000 -12.644 0.000) 12.644 2.244 ( 0.000 1.880 0.000) 1.880 2.325 ( 0.000 -2.700 0.000) 2.700 2.369 ( 0.000 5.412 0.000) 5.412 2.447 ( 0.000 5.711 -0.000) 5.711 2.595 ( 0.000 0.643 0.000) 0.643 2.628 ( 0.000 -7.062 0.000) 7.062 2.869 ( 0.000 3.840 -0.000) 3.840 2.958 ( 0.000 -3.553 -0.000) 3.553 3.186 ( 0.000 0.884 0.000) 0.884 3.190 ( -0.000 1.652 -0.000) 1.652 3.336 ( 0.000 6.949 0.000) 6.949 3.375 ( 0.000 5.013 -0.000) 5.013 3.380 ( -0.000 6.137 0.000) 6.137 3.602 ( -0.000 -5.372 -0.000) 5.372 3.635 ( 0.000 -3.576 0.000) 3.576 3.782 ( 0.000 3.872 -0.000) 3.872 3.815 ( -0.000 -3.792 0.000) 3.792 3.900 ( 0.000 6.671 -0.000) 6.671 3.921 ( 0.000 -3.870 -0.000) 3.870 4.142 ( -0.000 -4.203 0.000) 4.203 4.214 ( -0.000 -3.100 -0.000) 3.100 4.258 ( 0.000 2.496 0.000) 2.496 4.644 ( 0.000 0.721 0.000) 0.721 4.667 ( 0.000 4.782 0.000) 4.782 4.759 ( 0.000 11.315 0.000) 11.315 5.122 ( 0.000 -3.527 -0.000) 3.527 5.286 ( 0.000 2.114 0.000) 2.114 5.349 ( 0.000 1.501 0.000) 1.501 5.615 ( 0.000 0.237 -0.000) 0.237 5.646 ( 0.000 -4.626 -0.000) 4.626 5.782 ( 0.000 1.503 0.000) 1.503 5.861 ( 0.000 -6.919 -0.000) 6.919 6.057 ( 0.000 6.975 0.000) 6.975 6.066 ( -0.000 1.367 -0.000) 1.367 6.286 ( 0.000 -11.266 -0.000) 11.266 6.336 ( -0.000 -2.640 0.000) 2.640 6.445 ( -0.000 3.184 -0.000) 3.184 6.614 ( 0.000 1.501 0.000) 1.501 6.774 ( 0.000 -9.715 -0.000) 9.715 6.837 ( 0.000 -5.353 0.000) 5.353 7.180 ( -0.000 2.382 0.000) 2.382 7.191 ( 0.000 2.784 -0.000) 2.784 7.679 ( 0.000 3.531 -0.000) 3.531 7.807 ( 0.000 -3.968 0.000) 3.968 7.969 ( 0.000 7.354 -0.000) 7.354 8.058 ( 0.000 4.053 0.000) 4.053 8.850 ( -0.000 1.913 0.000) 1.913 8.981 ( 0.000 -4.189 0.000) 4.189 9.271 ( 0.000 0.588 0.000) 0.588 9.282 ( 0.000 -0.023 -0.000) 0.023 9.650 ( 0.000 -0.500 -0.000) 0.500 9.685 ( -0.000 -2.785 0.000) 2.785 9.795 ( -0.000 0.776 0.000) 0.776 9.807 ( 0.000 0.747 -0.000) 0.747 10.756 ( 0.000 -0.045 -0.000) 0.045 10.778 ( 0.000 -1.461 0.000) 1.461 10.877 ( 0.000 3.265 0.000) 3.265 10.929 ( -0.000 0.276 -0.000) 0.276 11.035 ( -0.000 1.288 -0.000) 1.288 11.092 ( -0.000 -0.844 -0.000) 0.844 11.189 ( -0.000 1.466 0.000) 1.466 11.250 ( -0.000 -1.093 0.000) 1.093 12.108 ( -0.000 -2.460 0.000) 2.460 12.141 ( 0.000 -5.386 -0.000) 5.386 12.373 ( 0.000 4.090 0.000) 4.090 12.415 ( 0.000 -0.240 -0.000) 0.240 12.431 ( 0.000 1.308 0.000) 1.308 12.510 ( 0.000 -1.188 0.000) 1.188 12.779 ( -0.000 2.246 0.000) 2.246 12.852 ( 0.000 -1.103 0.000) 1.103 14.185 ( 0.000 0.244 0.000) 0.244 14.197 ( -0.000 -0.260 0.000) 0.260 14.305 ( 0.000 0.378 -0.000) 0.378 14.316 ( 0.000 -0.050 0.000) 0.050 17.789 ( 0.000 1.375 -0.000) 1.375 17.830 ( -0.000 1.509 0.000) 1.509 17.863 ( 0.000 -1.792 0.000) 1.792 17.913 ( 0.000 -2.033 -0.000) 2.033 20.175 ( -0.000 3.080 0.000) 3.080 20.235 ( 0.000 1.868 -0.000) 1.868 20.304 ( 0.000 -2.438 0.000) 2.438 20.311 ( -0.000 -1.363 -0.000) 1.363 22.719 ( -0.000 -0.068 0.000) 0.068 22.778 ( 0.000 -2.513 0.000) 2.513 22.835 ( 0.000 2.296 0.000) 2.296 22.889 ( 0.000 -0.134 -0.000) 0.134 27.630 ( 0.000 0.520 0.000) 0.520 27.638 ( -0.000 0.120 0.000) 0.120 27.643 ( 0.000 -0.120 -0.000) 0.120 27.653 ( -0.000 -0.454 -0.000) 0.454 29.831 ( 0.000 0.562 0.000) 0.562 29.863 ( 0.000 -0.863 -0.000) 0.863 30.019 ( 0.000 0.949 -0.000) 0.949 30.064 ( -0.000 -0.973 -0.000) 0.973 30.567 ( -0.000 3.233 0.000) 3.233 30.590 ( 0.000 2.114 -0.000) 2.114 30.861 ( 0.000 -3.990 0.000) 3.990 30.880 ( -0.000 -4.353 -0.000) 4.353 31.034 ( 0.000 1.797 0.000) 1.797 31.093 ( 0.000 -1.521 -0.000) 1.521 31.166 ( 0.000 1.289 0.000) 1.289 31.196 ( 0.000 -0.373 -0.000) 0.373 32.154 ( -0.000 0.226 -0.000) 0.226 32.159 ( 0.000 0.013 0.000) 0.013 32.199 ( 0.000 1.827 0.000) 1.827 32.241 ( 0.000 -0.008 0.000) 0.008 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 -23.504 0.000) 23.504 0.931 ( 0.000 23.504 0.000) 23.504 1.150 ( 0.000 -28.899 0.000) 28.899 1.150 ( 0.000 28.899 0.000) 28.899 2.014 ( 0.000 -41.510 0.000) 41.510 2.014 ( 0.000 41.510 0.000) 41.510 2.518 ( 0.000 -4.368 0.000) 4.368 2.518 ( 0.000 4.368 0.000) 4.368 2.727 ( 0.000 -5.674 0.000) 5.674 2.727 ( 0.000 5.674 0.000) 5.674 2.823 ( 0.000 -5.785 0.000) 5.785 2.823 ( 0.000 5.785 0.000) 5.785 3.063 ( 0.000 -10.415 0.000) 10.415 3.063 ( 0.000 10.415 0.000) 10.415 3.313 ( 0.000 -3.656 0.000) 3.656 3.313 ( 0.000 3.656 0.000) 3.656 3.586 ( 0.000 -1.401 0.000) 1.401 3.586 ( 0.000 1.401 0.000) 1.401 3.951 ( 0.000 -4.649 0.000) 4.649 3.951 ( 0.000 4.649 0.000) 4.649 4.088 ( 0.000 -4.321 0.000) 4.321 4.088 ( 0.000 4.321 0.000) 4.321 4.405 ( 0.000 -3.623 0.000) 3.623 4.405 ( 0.000 3.623 0.000) 3.623 4.546 ( 0.000 -1.615 0.000) 1.615 4.546 ( 0.000 1.615 0.000) 1.615 4.745 ( 0.000 -3.146 0.000) 3.146 4.745 ( 0.000 3.146 0.000) 3.146 5.175 ( 0.000 -6.310 0.000) 6.310 5.175 ( 0.000 6.310 0.000) 6.310 5.372 ( 0.000 -3.036 0.000) 3.036 5.372 ( 0.000 3.036 0.000) 3.036 5.614 ( 0.000 -4.584 0.000) 4.584 5.614 ( 0.000 4.584 0.000) 4.584 5.970 ( 0.000 -2.565 0.000) 2.565 5.970 ( 0.000 2.565 0.000) 2.565 6.154 ( 0.000 -2.504 0.000) 2.504 6.154 ( 0.000 2.504 0.000) 2.504 6.348 ( 0.000 -1.065 0.000) 1.065 6.348 ( 0.000 1.065 0.000) 1.065 6.399 ( 0.000 -1.128 0.000) 1.128 6.399 ( 0.000 1.128 0.000) 1.128 7.082 ( 0.000 -6.561 0.000) 6.561 7.082 ( 0.000 6.561 0.000) 6.561 7.599 ( 0.000 -1.435 0.000) 1.435 7.599 ( 0.000 1.435 0.000) 1.435 7.774 ( 0.000 -7.974 0.000) 7.974 7.774 ( 0.000 7.974 0.000) 7.974 8.290 ( 0.000 -5.571 0.000) 5.571 8.290 ( 0.000 5.571 0.000) 5.571 8.635 ( 0.000 -6.892 0.000) 6.892 8.635 ( 0.000 6.892 0.000) 6.892 9.169 ( 0.000 -11.100 0.000) 11.100 9.169 ( 0.000 11.100 0.000) 11.100 9.584 ( 0.000 -1.621 0.000) 1.621 9.584 ( 0.000 1.621 0.000) 1.621 9.830 ( 0.000 -3.244 0.000) 3.244 9.830 ( 0.000 3.244 0.000) 3.244 10.652 ( 0.000 -1.605 0.000) 1.605 10.652 ( 0.000 1.605 0.000) 1.605 11.347 ( 0.000 -1.050 0.000) 1.050 11.347 ( 0.000 1.050 0.000) 1.050 11.934 ( 0.000 -3.180 0.000) 3.180 11.934 ( 0.000 3.180 0.000) 3.180 12.453 ( 0.000 -0.596 0.000) 0.596 12.453 ( 0.000 0.596 0.000) 0.596 12.908 ( 0.000 -0.558 0.000) 0.558 12.908 ( 0.000 0.558 0.000) 0.558 13.931 ( 0.000 -3.034 0.000) 3.034 13.931 ( 0.000 3.034 0.000) 3.034 14.181 ( 0.000 -0.005 0.000) 0.005 14.181 ( 0.000 0.005 0.000) 0.005 14.870 ( 0.000 -1.112 0.000) 1.112 14.870 ( 0.000 1.112 0.000) 1.112 15.171 ( 0.000 -0.800 0.000) 0.800 15.171 ( 0.000 0.800 0.000) 0.800 15.468 ( 0.000 -1.048 0.000) 1.048 15.468 ( 0.000 1.048 0.000) 1.048 17.248 ( 0.000 -2.540 0.000) 2.540 17.248 ( 0.000 2.540 0.000) 2.540 19.926 ( 0.000 -0.575 0.000) 0.575 19.926 ( 0.000 0.575 0.000) 0.575 21.684 ( 0.000 -0.238 0.000) 0.238 21.684 ( 0.000 0.238 0.000) 0.238 22.146 ( 0.000 -0.493 0.000) 0.493 22.146 ( 0.000 0.493 0.000) 0.493 22.319 ( 0.000 -3.661 0.000) 3.661 22.319 ( 0.000 3.661 0.000) 3.661 27.495 ( 0.000 -0.006 0.000) 0.006 27.495 ( 0.000 0.006 0.000) 0.006 28.229 ( 0.000 -0.027 0.000) 0.027 28.229 ( 0.000 0.027 0.000) 0.027 28.260 ( 0.000 -0.036 0.000) 0.036 28.260 ( 0.000 0.036 0.000) 0.036 28.768 ( 0.000 -0.910 0.000) 0.910 28.768 ( 0.000 0.910 0.000) 0.910 29.802 ( 0.000 -1.758 0.000) 1.758 29.802 ( 0.000 1.758 0.000) 1.758 30.494 ( 0.000 -1.968 0.000) 1.968 30.494 ( 0.000 1.968 0.000) 1.968 31.001 ( 0.000 -0.324 0.000) 0.324 31.001 ( 0.000 0.324 0.000) 0.324 31.980 ( 0.000 -2.901 0.000) 2.901 31.980 ( 0.000 2.901 0.000) 2.901 32.758 ( 0.000 -5.194 0.000) 5.194 32.758 ( 0.000 5.194 0.000) 5.194 33.801 ( 0.000 -5.745 0.000) 5.745 33.801 ( 0.000 5.745 0.000) 5.745 ======================= Grid point 24 (14/108) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 17.686 -18.940 -0.854) 25.928 1.134 ( 17.686 18.940 -0.854) 25.928 1.418 ( 18.454 -23.055 -0.090) 29.531 1.418 ( 18.454 23.055 -0.090) 29.531 2.194 ( 16.402 -30.407 0.569) 34.553 2.194 ( 16.402 30.407 0.569) 34.553 2.534 ( 0.946 -4.103 2.072) 4.693 2.534 ( 0.946 4.103 2.072) 4.693 2.652 ( -0.883 -5.643 -1.996) 6.051 2.652 ( -0.883 5.643 -1.996) 6.051 2.921 ( 4.220 -6.796 3.452) 8.713 2.921 ( 4.220 6.796 3.452) 8.713 3.129 ( 4.286 -7.624 -0.384) 8.754 3.129 ( 4.286 7.624 -0.384) 8.754 3.370 ( 3.477 -6.873 2.126) 7.991 3.370 ( 3.477 6.873 2.126) 7.991 3.591 ( 2.084 -7.342 -4.794) 9.013 3.591 ( 2.084 7.342 -4.794) 9.013 3.906 ( -5.020 -4.653 -5.198) 8.595 3.906 ( -5.020 4.653 -5.198) 8.595 4.115 ( 4.533 -1.894 7.676) 9.113 4.115 ( 4.533 1.894 7.676) 9.113 4.323 ( -10.428 -8.476 -2.867) 13.741 4.323 ( -10.428 8.476 -2.867) 13.741 4.457 ( -0.729 -8.115 7.221) 10.887 4.457 ( -0.729 8.115 7.221) 10.887 4.837 ( 8.932 -1.363 -2.430) 9.356 4.837 ( 8.932 1.363 -2.430) 9.356 5.241 ( 0.840 -5.892 -3.140) 6.729 5.241 ( 0.840 5.892 -3.140) 6.729 5.394 ( 4.268 -4.222 -3.422) 6.910 5.394 ( 4.268 4.222 -3.422) 6.910 5.630 ( 1.078 -4.363 -0.426) 4.514 5.630 ( 1.078 4.363 -0.426) 4.514 5.937 ( -1.723 -4.675 -0.052) 4.983 5.937 ( -1.723 4.675 -0.052) 4.983 6.194 ( 1.858 -3.323 5.772) 6.914 6.194 ( 1.858 3.323 5.772) 6.914 6.345 ( 1.556 -4.897 2.773) 5.839 6.345 ( 1.556 4.897 2.773) 5.839 6.429 ( 2.548 -2.891 -3.135) 4.968 6.429 ( 2.548 2.891 -3.135) 4.968 7.072 ( -1.599 -2.229 2.029) 3.412 7.072 ( -1.599 2.229 2.029) 3.412 7.531 ( -5.372 -5.948 -1.937) 8.245 7.531 ( -5.372 5.948 -1.937) 8.245 7.847 ( 6.584 -4.241 -1.802) 8.036 7.847 ( 6.584 4.241 -1.802) 8.036 8.303 ( -0.687 -4.110 -0.751) 4.234 8.303 ( -0.687 4.110 -0.751) 4.234 8.652 ( 4.119 -6.311 -2.108) 7.825 8.652 ( 4.119 6.311 -2.108) 7.825 9.191 ( 2.615 -8.865 5.351) 10.680 9.191 ( 2.615 8.865 5.351) 10.680 9.634 ( 4.872 -2.099 1.956) 5.654 9.634 ( 4.872 2.099 1.956) 5.654 9.844 ( 0.803 -2.560 -1.397) 3.025 9.844 ( 0.803 2.560 -1.397) 3.025 10.591 ( -5.033 -1.374 -2.177) 5.653 10.591 ( -5.033 1.374 -2.177) 5.653 11.327 ( -0.809 -1.467 1.728) 2.407 11.327 ( -0.809 1.467 1.728) 2.407 11.932 ( 0.161 -2.852 -3.921) 4.851 11.932 ( 0.161 2.852 -3.921) 4.851 12.598 ( 11.815 -0.558 1.964) 11.990 12.598 ( 11.815 0.558 1.964) 11.990 12.876 ( -4.077 -9.800 3.494) 11.174 12.876 ( -4.077 9.800 3.494) 11.174 13.828 ( -12.584 -2.919 -0.767) 12.941 13.828 ( -12.584 2.919 -0.767) 12.941 14.031 ( -16.494 -6.879 -1.124) 17.906 14.031 ( -16.494 6.879 -1.124) 17.906 14.804 ( -12.232 -1.309 0.133) 12.303 14.804 ( -12.232 1.309 0.133) 12.303 15.232 ( 1.793 -2.795 -0.077) 3.321 15.232 ( 1.793 2.795 -0.077) 3.321 15.508 ( 16.618 -0.802 -0.601) 16.648 15.508 ( 16.618 0.802 -0.601) 16.648 17.548 ( 24.570 -6.513 2.126) 25.507 17.548 ( 24.570 6.513 2.126) 25.507 19.644 ( -22.736 -1.145 0.233) 22.766 19.644 ( -22.736 1.145 0.233) 22.766 21.695 ( -1.424 -0.888 0.184) 1.689 21.695 ( -1.424 0.888 0.184) 1.689 22.256 ( 3.966 -3.075 0.023) 5.018 22.256 ( 3.966 3.075 0.023) 5.018 22.368 ( 10.850 -0.553 -0.272) 10.868 22.368 ( 10.850 0.553 -0.272) 10.868 27.493 ( -0.079 -0.041 -0.007) 0.089 27.493 ( -0.079 0.041 -0.007) 0.089 28.199 ( -5.151 -0.709 -0.269) 5.207 28.199 ( -5.151 0.709 -0.269) 5.207 28.629 ( 31.455 -10.609 1.124) 33.215 28.629 ( 31.455 10.609 1.124) 33.215 28.853 ( 8.126 -1.021 0.721) 8.221 28.853 ( 8.126 1.021 0.721) 8.221 29.892 ( 7.772 -4.352 -0.306) 8.912 29.892 ( 7.772 4.352 -0.306) 8.912 30.516 ( 2.139 -3.038 0.909) 3.825 30.516 ( 2.139 3.038 0.909) 3.825 30.991 ( -0.774 -0.338 -3.218) 3.328 30.991 ( -0.774 0.338 -3.218) 3.328 31.933 ( -4.475 -2.662 1.548) 5.431 31.933 ( -4.475 2.662 1.548) 5.431 32.692 ( -6.193 -3.976 -0.138) 7.361 32.692 ( -6.193 3.976 -0.138) 7.361 33.520 ( -22.557 -5.383 -0.937) 23.209 33.520 ( -22.557 5.383 -0.937) 23.209 ======================= Grid point 26 (15/108) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 20.520 -18.345 2.901) 27.677 1.563 ( 20.520 18.345 2.901) 27.677 1.726 ( 13.014 -15.633 -1.106) 20.372 1.726 ( 13.014 15.633 -1.106) 20.372 2.402 ( 0.924 -4.782 2.669) 5.554 2.402 ( 0.924 4.782 2.669) 5.554 2.620 ( 3.503 -2.093 2.128) 4.602 2.620 ( 3.503 2.093 2.128) 4.602 2.766 ( 9.000 -17.687 3.587) 20.166 2.766 ( 9.000 17.687 3.587) 20.166 2.932 ( 1.749 -8.393 -1.515) 8.706 2.932 ( 1.749 8.393 -1.515) 8.706 3.209 ( 1.250 -5.204 0.407) 5.367 3.209 ( 1.250 5.204 0.407) 5.367 3.427 ( 3.482 -4.150 0.867) 5.486 3.427 ( 3.482 4.150 0.867) 5.486 3.689 ( 5.530 -4.737 -3.570) 8.110 3.689 ( 5.530 4.737 -3.570) 8.110 3.849 ( 1.520 -3.388 -5.651) 6.762 3.849 ( 1.520 3.388 -5.651) 6.762 4.047 ( -10.938 -5.597 -0.059) 12.287 4.047 ( -10.938 5.597 -0.059) 12.287 4.216 ( 1.139 -2.792 1.536) 3.384 4.216 ( 1.139 2.792 1.536) 3.384 4.565 ( 10.725 -6.476 3.794) 13.090 4.565 ( 10.725 6.476 3.794) 13.090 5.088 ( 8.354 -3.930 0.017) 9.233 5.088 ( 8.354 3.930 0.017) 9.233 5.206 ( 1.414 -3.650 -3.299) 5.119 5.206 ( 1.414 3.650 -3.299) 5.119 5.476 ( 1.769 -4.829 -1.605) 5.387 5.476 ( 1.769 4.829 -1.605) 5.387 5.654 ( 2.294 -5.119 -3.027) 6.374 5.654 ( 2.294 5.119 -3.027) 6.374 5.948 ( 2.693 -5.506 0.277) 6.135 5.948 ( 2.693 5.506 0.277) 6.135 6.193 ( -1.774 -5.328 6.035) 8.243 6.193 ( -1.774 5.328 6.035) 8.243 6.406 ( 3.844 -2.834 -2.310) 5.305 6.406 ( 3.844 2.834 -2.310) 5.305 6.536 ( 7.459 -5.815 2.237) 9.719 6.536 ( 7.459 5.815 2.237) 9.719 7.019 ( -1.648 -8.825 1.485) 9.100 7.019 ( -1.648 8.825 1.485) 9.100 7.453 ( -1.757 -9.844 0.180) 10.001 7.453 ( -1.757 9.844 0.180) 10.001 7.987 ( 5.584 -3.309 0.503) 6.510 7.987 ( 5.584 3.309 0.503) 6.510 8.285 ( 1.982 -2.718 -5.628) 6.557 8.285 ( 1.982 2.718 -5.628) 6.557 8.818 ( 10.787 -5.860 -0.406) 12.282 8.818 ( 10.787 5.860 -0.406) 12.282 9.277 ( 4.734 -4.475 6.746) 9.378 9.277 ( 4.734 4.475 6.746) 9.378 9.775 ( 8.386 -2.044 2.986) 9.134 9.775 ( 8.386 2.044 2.986) 9.134 9.865 ( 1.710 -1.576 -1.484) 2.759 9.865 ( 1.710 1.576 -1.484) 2.759 10.477 ( -4.903 -0.870 -3.794) 6.260 10.477 ( -4.903 0.870 -3.794) 6.260 11.365 ( 4.956 -1.359 2.592) 5.756 11.365 ( 4.956 1.359 2.592) 5.756 11.924 ( -1.443 -2.070 -6.825) 7.277 11.924 ( -1.443 2.070 -6.825) 7.277 12.640 ( -11.694 -8.962 6.143) 15.962 12.640 ( -11.694 8.962 6.143) 15.962 12.939 ( 11.357 -0.728 1.326) 11.457 12.939 ( 11.357 0.728 1.326) 11.457 13.435 ( -23.430 -0.980 -1.001) 23.471 13.435 ( -23.430 0.980 -1.001) 23.471 13.591 ( -22.433 -5.121 -0.974) 23.030 13.591 ( -22.433 5.121 -0.974) 23.030 14.392 ( -25.325 -1.329 0.148) 25.360 14.392 ( -25.325 1.329 0.148) 25.360 15.097 ( -10.360 -2.955 -0.179) 10.775 15.097 ( -10.360 2.955 -0.179) 10.775 16.151 ( 36.033 -6.997 -0.637) 36.711 16.151 ( 36.033 6.997 -0.637) 36.711 18.118 ( 29.006 -5.265 2.584) 29.593 18.118 ( 29.006 5.265 2.584) 29.593 19.159 ( -21.968 -2.154 -0.062) 22.073 19.159 ( -21.968 2.154 -0.062) 22.073 21.585 ( -9.451 -1.490 0.305) 9.573 21.585 ( -9.451 1.490 0.305) 9.573 22.310 ( 3.778 -1.746 1.887) 4.569 22.310 ( 3.778 1.746 1.887) 4.569 22.677 ( 14.634 -2.107 -2.223) 14.951 22.677 ( 14.634 2.107 -2.223) 14.951 27.496 ( 0.415 -0.102 0.012) 0.428 27.496 ( 0.415 0.102 0.012) 0.428 28.065 ( -7.442 -1.170 -0.265) 7.538 28.065 ( -7.442 1.170 -0.265) 7.538 29.085 ( 14.017 -1.121 1.479) 14.140 29.085 ( 14.017 1.121 1.479) 14.140 29.283 ( 29.352 -11.394 0.991) 31.502 29.283 ( 29.352 11.394 0.991) 31.502 30.073 ( 9.033 -7.426 -0.937) 11.731 30.073 ( 9.033 7.426 -0.937) 11.731 30.582 ( 4.172 -4.986 1.538) 6.681 30.582 ( 4.172 4.986 1.538) 6.681 30.970 ( -0.954 -0.935 -4.697) 4.884 30.970 ( -0.954 0.935 -4.697) 4.884 31.803 ( -8.165 -1.968 2.177) 8.676 31.803 ( -8.165 1.968 2.177) 8.676 32.522 ( -9.756 -1.553 0.078) 9.879 32.522 ( -9.756 1.553 0.078) 9.879 33.047 ( -21.464 -12.547 -1.272) 24.895 33.047 ( -21.464 12.547 -1.272) 24.895 ======================= Grid point 28 (16/108) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 3.156 -13.020 1.240) 13.454 1.780 ( 3.156 13.020 1.240) 13.454 2.088 ( 17.202 -8.238 -0.659) 19.085 2.088 ( 17.202 8.238 -0.659) 19.085 2.417 ( 1.793 -4.308 6.166) 7.732 2.417 ( 1.793 4.308 6.166) 7.732 2.646 ( -0.377 -0.976 -0.395) 1.118 2.646 ( -0.377 0.976 -0.395) 1.118 2.743 ( -1.555 -5.976 0.715) 6.216 2.743 ( -1.555 5.976 0.715) 6.216 3.133 ( 1.212 -2.214 3.479) 4.298 3.133 ( 1.212 2.214 3.479) 4.298 3.188 ( 7.287 -10.636 -0.270) 12.896 3.188 ( 7.287 10.636 -0.270) 12.896 3.482 ( 1.401 -4.983 3.855) 6.454 3.482 ( 1.401 4.983 3.855) 6.454 3.722 ( -4.970 -3.203 -3.711) 6.981 3.722 ( -4.970 3.203 -3.711) 6.981 3.809 ( -0.936 -1.724 -1.179) 2.288 3.809 ( -0.936 1.724 -1.179) 2.288 4.048 ( 6.433 -5.072 -2.997) 8.723 4.048 ( 6.433 5.072 -2.997) 8.723 4.215 ( -0.575 -4.545 0.328) 4.593 4.215 ( -0.575 4.545 0.328) 4.593 4.872 ( 16.841 -2.908 -0.252) 17.092 4.872 ( 16.841 2.908 -0.252) 17.092 5.010 ( -7.942 -1.578 -5.417) 9.742 5.010 ( -7.942 1.578 -5.417) 9.742 5.240 ( -5.652 -0.966 -4.571) 7.333 5.240 ( -5.652 0.966 -4.571) 7.333 5.541 ( 4.089 -3.671 2.326) 5.967 5.541 ( 4.089 3.671 2.326) 5.967 5.779 ( 9.797 -6.120 -1.683) 11.673 5.779 ( 9.797 6.120 -1.683) 11.673 5.987 ( 0.412 -4.653 -0.537) 4.702 5.987 ( 0.412 4.653 -0.537) 4.702 6.150 ( -1.811 -5.309 5.429) 7.806 6.150 ( -1.811 5.309 5.429) 7.806 6.522 ( 6.778 -5.588 -2.457) 9.122 6.522 ( 6.778 5.588 -2.457) 9.122 6.623 ( 0.125 -6.381 1.696) 6.603 6.623 ( 0.125 6.381 1.696) 6.603 7.119 ( 9.360 -7.179 2.737) 12.109 7.119 ( 9.360 7.179 2.737) 12.109 7.463 ( 4.088 -7.036 2.748) 8.589 7.463 ( 4.088 7.036 2.748) 8.589 8.043 ( 0.834 -4.205 -0.596) 4.328 8.043 ( 0.834 4.205 -0.596) 4.328 8.452 ( 13.481 -1.613 -5.586) 14.681 8.452 ( 13.481 1.613 -5.586) 14.681 9.065 ( 13.034 -2.568 0.350) 13.289 9.065 ( 13.034 2.568 0.350) 13.289 9.363 ( 3.149 -3.151 7.215) 8.479 9.363 ( 3.149 3.151 7.215) 8.479 9.870 ( -0.213 -0.815 -1.793) 1.981 9.870 ( -0.213 0.815 -1.793) 1.981 10.011 ( 13.059 -1.481 5.081) 14.091 10.011 ( 13.059 1.481 5.081) 14.091 10.449 ( 4.006 -1.119 -6.451) 7.676 10.449 ( 4.006 1.119 -6.451) 7.676 11.516 ( 8.382 -0.624 2.185) 8.685 11.516 ( 8.382 0.624 2.185) 8.685 11.822 ( -9.744 -1.383 -6.582) 11.840 11.822 ( -9.744 1.383 -6.582) 11.840 12.357 ( -13.713 -6.695 5.421) 16.195 12.357 ( -13.713 6.695 5.421) 16.195 12.732 ( -28.828 -0.597 -0.142) 28.834 12.732 ( -28.828 0.597 -0.142) 28.834 13.102 ( -17.035 -1.413 -0.756) 17.110 13.102 ( -17.035 1.413 -0.756) 17.110 13.342 ( 0.365 -2.536 0.936) 2.728 13.342 ( 0.365 2.536 0.936) 2.728 13.887 ( -17.424 -0.461 0.041) 17.430 13.887 ( -17.424 0.461 0.041) 17.430 14.855 ( -12.910 -2.278 -0.454) 13.117 14.855 ( -12.910 2.278 -0.454) 13.117 16.845 ( 30.656 -6.258 0.050) 31.289 16.845 ( 30.656 6.258 0.050) 31.289 18.522 ( -4.317 -0.289 0.937) 4.427 18.522 ( -4.317 0.289 0.937) 4.427 18.971 ( 17.915 -5.467 0.714) 18.744 18.971 ( 17.915 5.467 0.714) 18.744 21.304 ( -17.948 -1.860 0.242) 18.046 21.304 ( -17.948 1.860 0.242) 18.046 22.428 ( 7.459 -1.075 1.328) 7.653 22.428 ( 7.459 1.075 1.328) 7.653 22.896 ( 6.273 -2.108 -1.725) 6.839 22.896 ( 6.273 2.108 -1.725) 6.839 27.514 ( 1.469 -0.135 0.030) 1.476 27.514 ( 1.469 0.135 0.030) 1.476 27.908 ( -7.616 -1.097 -0.138) 7.696 27.908 ( -7.616 1.097 -0.138) 7.696 29.399 ( 15.588 -0.831 1.724) 15.705 29.399 ( 15.588 0.831 1.724) 15.705 29.793 ( 19.288 -4.691 0.765) 19.865 29.793 ( 19.288 4.691 0.765) 19.865 30.253 ( 9.011 -9.051 -1.672) 12.881 30.253 ( 9.011 9.051 -1.672) 12.881 30.683 ( 5.426 -5.361 1.059) 7.700 30.683 ( 5.426 5.361 1.059) 7.700 30.955 ( -0.191 -0.959 -3.455) 3.591 30.955 ( -0.191 0.959 -3.455) 3.591 31.607 ( -10.777 -0.899 1.637) 10.938 31.607 ( -10.777 0.899 1.637) 10.938 32.323 ( -8.873 -2.544 0.344) 9.237 32.323 ( -8.873 2.544 0.344) 9.237 32.657 ( -16.529 -9.668 -1.148) 19.183 32.657 ( -16.529 9.668 -1.148) 19.183 ======================= Grid point 30 (17/108) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.432 -5.688 0.968) 5.786 1.797 ( -0.432 5.688 0.968) 5.786 2.270 ( 2.170 -2.070 -0.479) 3.037 2.270 ( 2.170 2.070 -0.479) 3.037 2.461 ( 0.882 -5.254 3.408) 6.324 2.461 ( 0.882 5.254 3.408) 6.324 2.595 ( -2.401 -3.717 -1.391) 4.638 2.595 ( -2.401 3.717 -1.391) 4.638 2.862 ( 7.383 -4.117 -1.769) 8.636 2.862 ( 7.383 4.117 -1.769) 8.636 3.104 ( 3.179 -2.593 2.428) 4.767 3.104 ( 3.179 2.593 2.428) 4.767 3.385 ( 5.507 -7.680 3.653) 10.132 3.385 ( 5.507 7.680 3.653) 10.132 3.533 ( 4.600 -6.341 2.383) 8.189 3.533 ( 4.600 6.341 2.383) 8.189 3.592 ( -4.730 -3.912 0.627) 6.170 3.592 ( -4.730 3.912 0.627) 6.170 3.839 ( 1.758 -1.623 -0.806) 2.525 3.839 ( 1.758 1.623 -0.806) 2.525 4.079 ( -2.538 -7.157 -0.683) 7.624 4.079 ( -2.538 7.157 -0.683) 7.624 4.237 ( 1.968 -6.240 -0.888) 6.603 4.237 ( 1.968 6.240 -0.888) 6.603 4.803 ( -10.282 -2.430 -6.956) 12.650 4.803 ( -10.282 2.430 -6.956) 12.650 5.054 ( -4.524 -8.592 0.527) 9.724 5.054 ( -4.524 8.592 0.527) 9.724 5.226 ( 10.276 -3.643 -4.005) 11.616 5.226 ( 10.276 3.643 -4.005) 11.616 5.582 ( 0.332 -6.067 1.821) 6.343 5.582 ( 0.332 6.067 1.821) 6.343 5.854 ( -3.254 -0.914 -1.291) 3.618 5.854 ( -3.254 0.914 -1.291) 3.618 6.065 ( 5.743 -1.944 -3.316) 6.910 6.065 ( 5.743 1.944 -3.316) 6.910 6.164 ( 3.588 -9.397 4.813) 11.150 6.164 ( 3.588 9.397 4.813) 11.150 6.553 ( -2.274 -4.005 -1.711) 4.913 6.553 ( -2.274 4.005 -1.711) 4.913 6.697 ( 6.089 -5.524 1.829) 8.422 6.697 ( 6.089 5.524 1.829) 8.422 7.202 ( -0.709 -3.515 2.845) 4.577 7.202 ( -0.709 3.515 2.845) 4.577 7.650 ( 10.021 -2.101 3.363) 10.777 7.650 ( 10.021 2.101 3.363) 10.777 8.058 ( 0.955 -2.677 -2.422) 3.735 8.058 ( 0.955 2.677 -2.422) 3.735 8.747 ( 13.163 -3.668 -3.791) 14.180 8.747 ( 13.163 3.668 -3.791) 14.180 9.280 ( 3.358 -0.694 4.008) 5.275 9.280 ( 3.358 0.694 4.008) 5.275 9.479 ( 11.141 -2.451 1.212) 11.471 9.479 ( 11.141 2.451 1.212) 11.471 9.836 ( -2.176 -0.943 1.113) 2.620 9.836 ( -2.176 0.943 1.113) 2.620 10.355 ( 20.565 -2.225 3.872) 21.044 10.355 ( 20.565 2.225 3.872) 21.044 10.644 ( 14.175 -0.373 -7.316) 15.956 10.644 ( 14.175 0.373 -7.316) 15.956 11.495 ( -19.967 -1.426 -0.820) 20.035 11.495 ( -19.967 1.426 -0.820) 20.035 11.566 ( -13.103 -1.642 0.282) 13.209 11.566 ( -13.103 1.642 0.282) 13.209 12.053 ( -9.280 -3.882 -0.110) 10.059 12.053 ( -9.280 3.882 -0.110) 10.059 12.373 ( -1.877 -1.178 1.988) 2.977 12.373 ( -1.877 1.178 1.988) 2.977 12.729 ( -17.988 -2.456 -0.614) 18.166 12.729 ( -17.988 2.456 -0.614) 18.166 13.070 ( -19.747 -2.335 0.292) 19.887 13.070 ( -19.747 2.335 0.292) 19.887 13.927 ( 13.668 -0.370 0.660) 13.689 13.927 ( 13.668 0.370 0.660) 13.689 14.573 ( -14.432 -1.266 -0.613) 14.500 14.573 ( -14.432 1.266 -0.613) 14.500 17.404 ( 23.927 -4.041 0.547) 24.272 17.404 ( 23.927 4.041 0.547) 24.272 18.224 ( -17.463 -1.176 -0.299) 17.505 18.224 ( -17.463 1.176 -0.299) 17.505 19.584 ( 33.478 -4.053 0.833) 33.732 19.584 ( 33.478 4.053 0.833) 33.732 20.852 ( -25.749 -2.362 0.059) 25.857 20.852 ( -25.749 2.362 0.059) 25.857 22.603 ( 8.896 -1.670 0.722) 9.080 22.603 ( 8.896 1.670 0.722) 9.080 22.935 ( -1.977 -1.758 -1.020) 2.836 22.935 ( -1.977 1.758 -1.020) 2.836 27.560 ( 3.028 -0.221 0.035) 3.036 27.560 ( 3.028 0.221 0.035) 3.036 27.760 ( -6.604 -0.761 -0.046) 6.648 27.760 ( -6.604 0.761 -0.046) 6.648 29.694 ( 12.250 -0.030 1.583) 12.352 29.694 ( 12.250 0.030 1.583) 12.352 30.031 ( 4.011 -2.493 0.013) 4.722 30.031 ( 4.011 2.493 0.013) 4.722 30.468 ( 11.362 -8.266 -2.020) 14.195 30.468 ( 11.362 8.266 -2.020) 14.195 30.789 ( 3.844 -2.454 0.320) 4.571 30.789 ( 3.844 2.454 0.320) 4.571 30.975 ( 2.966 -0.410 -0.533) 3.042 30.975 ( 2.966 0.410 -0.533) 3.042 31.371 ( -11.798 -0.316 0.496) 11.813 31.371 ( -11.798 0.316 0.496) 11.813 32.185 ( -4.032 -3.307 0.209) 5.219 32.185 ( -4.032 3.307 0.209) 5.219 32.368 ( -11.257 -3.890 -0.567) 11.923 32.368 ( -11.257 3.890 -0.567) 11.923 ======================= Grid point 32 (18/108) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 -0.305 0.000) 0.305 1.790 ( 0.000 0.305 0.000) 0.305 2.279 ( 0.000 -2.112 -0.000) 2.112 2.279 ( 0.000 2.112 -0.000) 2.112 2.465 ( 0.000 -4.596 0.000) 4.596 2.465 ( 0.000 4.596 0.000) 4.596 2.571 ( 0.000 -1.898 0.000) 1.898 2.571 ( 0.000 1.898 -0.000) 1.898 2.915 ( 0.000 -1.717 -0.000) 1.717 2.915 ( 0.000 1.717 -0.000) 1.717 3.204 ( 0.000 -0.486 0.000) 0.486 3.204 ( 0.000 0.486 0.000) 0.486 3.418 ( 0.000 -1.628 -0.000) 1.628 3.418 ( 0.000 1.628 0.000) 1.628 3.517 ( 0.000 -4.578 0.000) 4.578 3.517 ( 0.000 4.578 -0.000) 4.578 3.646 ( 0.000 -8.242 -0.000) 8.242 3.646 ( 0.000 8.242 -0.000) 8.242 3.855 ( 0.000 -3.967 0.000) 3.967 3.855 ( -0.000 3.967 -0.000) 3.967 4.036 ( 0.000 -7.189 -0.000) 7.189 4.036 ( 0.000 7.189 0.000) 7.189 4.254 ( 0.000 -3.181 0.000) 3.181 4.254 ( -0.000 3.181 -0.000) 3.181 4.671 ( 0.000 -1.534 -0.000) 1.534 4.671 ( 0.000 1.534 0.000) 1.534 4.995 ( 0.000 -10.557 0.000) 10.557 4.995 ( 0.000 10.557 0.000) 10.557 5.356 ( 0.000 -3.322 -0.000) 3.322 5.356 ( 0.000 3.322 -0.000) 3.322 5.578 ( 0.000 -0.872 -0.000) 0.872 5.578 ( 0.000 0.872 -0.000) 0.872 5.800 ( 0.000 -0.732 0.000) 0.732 5.800 ( 0.000 0.732 0.000) 0.732 6.114 ( 0.000 -5.142 0.000) 5.142 6.114 ( 0.000 5.142 -0.000) 5.142 6.228 ( 0.000 -8.950 -0.000) 8.950 6.228 ( -0.000 8.950 0.000) 8.950 6.523 ( 0.000 -5.808 -0.000) 5.808 6.523 ( 0.000 5.808 -0.000) 5.808 6.771 ( 0.000 -3.386 0.000) 3.386 6.771 ( 0.000 3.386 0.000) 3.386 7.183 ( 0.000 -0.727 -0.000) 0.727 7.183 ( 0.000 0.727 -0.000) 0.727 7.759 ( 0.000 -3.270 0.000) 3.270 7.759 ( 0.000 3.270 0.000) 3.270 8.071 ( 0.000 -2.737 -0.000) 2.737 8.071 ( 0.000 2.737 0.000) 2.737 8.901 ( -0.000 -3.808 0.000) 3.808 8.901 ( 0.000 3.808 0.000) 3.808 9.279 ( 0.000 -0.300 0.000) 0.300 9.279 ( 0.000 0.300 -0.000) 0.300 9.649 ( 0.000 -0.835 0.000) 0.835 9.649 ( -0.000 0.835 -0.000) 0.835 9.809 ( 0.000 -0.527 -0.000) 0.527 9.809 ( 0.000 0.527 -0.000) 0.527 10.760 ( 0.000 -0.543 -0.000) 0.543 10.760 ( 0.000 0.543 -0.000) 0.543 10.922 ( 0.000 -1.353 0.000) 1.353 10.922 ( 0.000 1.353 -0.000) 1.353 11.067 ( -0.000 -1.804 0.000) 1.804 11.067 ( -0.000 1.804 -0.000) 1.804 11.222 ( -0.000 -1.896 0.000) 1.896 11.222 ( -0.000 1.896 0.000) 1.896 12.083 ( 0.000 -0.575 -0.000) 0.575 12.083 ( 0.000 0.575 0.000) 0.575 12.408 ( 0.000 -0.610 0.000) 0.610 12.408 ( -0.000 0.610 0.000) 0.610 12.475 ( 0.000 -2.607 -0.000) 2.607 12.475 ( 0.000 2.607 -0.000) 2.607 12.822 ( -0.000 -2.138 0.000) 2.138 12.822 ( 0.000 2.138 0.000) 2.138 14.191 ( 0.000 -0.379 0.000) 0.379 14.191 ( -0.000 0.379 0.000) 0.379 14.312 ( 0.000 -0.317 -0.000) 0.317 14.312 ( 0.000 0.317 0.000) 0.317 17.824 ( 0.000 -2.220 -0.000) 2.220 17.824 ( -0.000 2.220 0.000) 2.220 17.868 ( 0.000 -2.476 0.000) 2.476 17.868 ( 0.000 2.476 0.000) 2.476 20.243 ( -0.000 -3.815 0.000) 3.815 20.243 ( 0.000 3.815 0.000) 3.815 20.276 ( 0.000 -2.190 -0.000) 2.190 20.276 ( -0.000 2.190 -0.000) 2.190 22.735 ( 0.000 -1.825 0.000) 1.825 22.735 ( -0.000 1.825 -0.000) 1.825 22.873 ( 0.000 -1.631 0.000) 1.631 22.873 ( 0.000 1.631 -0.000) 1.631 27.640 ( 0.000 -0.090 0.000) 0.090 27.640 ( 0.000 0.090 0.000) 0.090 27.642 ( -0.000 -0.610 0.000) 0.610 27.642 ( -0.000 0.610 -0.000) 0.610 29.846 ( 0.000 -0.968 0.000) 0.968 29.846 ( 0.000 0.968 0.000) 0.968 30.041 ( 0.000 -1.352 -0.000) 1.352 30.041 ( -0.000 1.352 -0.000) 1.352 30.615 ( 0.000 -0.635 0.000) 0.635 30.615 ( 0.000 0.635 0.000) 0.635 30.817 ( 0.000 -0.704 0.000) 0.704 30.817 ( 0.000 0.704 0.000) 0.704 31.065 ( -0.000 -1.575 0.000) 1.575 31.065 ( -0.000 1.575 -0.000) 1.575 31.185 ( 0.000 -0.791 0.000) 0.791 31.185 ( 0.000 0.791 -0.000) 0.791 32.158 ( 0.000 -0.155 0.000) 0.155 32.158 ( 0.000 0.155 -0.000) 0.155 32.231 ( 0.000 -1.232 0.000) 1.232 32.231 ( 0.000 1.232 0.000) 1.232 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -0.272 0.000 26.877) 26.879 0.663 ( -14.249 0.000 34.215) 37.064 0.782 ( 13.889 0.000 39.979) 42.323 1.622 ( 0.773 0.000 11.638) 11.664 2.032 ( -5.807 0.000 7.897) 9.803 2.298 ( 1.848 0.000 1.391) 2.313 2.429 ( 2.214 0.000 -0.322) 2.238 2.604 ( -0.766 0.000 3.040) 3.135 2.638 ( 3.798 0.000 -3.295) 5.028 2.779 ( 4.016 0.000 0.867) 4.108 2.871 ( 0.881 0.000 -5.032) 5.109 2.984 ( -6.931 0.000 -4.475) 8.250 3.020 ( -4.086 0.000 -3.236) 5.213 3.120 ( -0.580 0.000 0.365) 0.685 3.258 ( 1.874 0.000 -2.153) 2.854 3.549 ( 14.431 0.000 2.379) 14.626 3.554 ( -3.868 0.000 -11.026) 11.685 3.592 ( 1.151 0.000 -4.681) 4.820 3.786 ( -0.985 0.000 -5.143) 5.237 3.926 ( 5.344 0.000 -9.298) 10.725 4.038 ( 1.060 0.000 -2.970) 3.154 4.046 ( 5.882 0.000 4.378) 7.333 4.153 ( 1.940 0.000 -1.618) 2.526 4.395 ( 0.409 0.000 -11.131) 11.139 4.525 ( -1.846 0.000 -6.253) 6.520 4.525 ( -1.794 0.000 -1.622) 2.419 4.783 ( -5.429 0.000 4.676) 7.165 4.900 ( 0.434 0.000 8.572) 8.583 5.105 ( -2.828 0.000 -1.647) 3.273 5.157 ( -3.225 0.000 -0.011) 3.225 5.409 ( -9.734 0.000 3.362) 10.298 5.435 ( -2.709 0.000 7.048) 7.550 5.523 ( 0.059 0.000 2.580) 2.581 5.755 ( 1.875 0.000 -1.625) 2.481 5.868 ( 0.977 0.000 -1.065) 1.446 5.925 ( 3.637 0.000 -5.564) 6.647 6.160 ( -1.130 0.000 2.116) 2.399 6.200 ( 3.378 0.000 -6.815) 7.606 6.310 ( -2.496 0.000 0.433) 2.533 6.359 ( -0.616 0.000 1.999) 2.092 6.501 ( -0.342 0.000 3.808) 3.823 6.775 ( -0.429 0.000 -2.088) 2.132 6.962 ( 3.297 0.000 6.631) 7.406 7.226 ( 17.438 0.000 5.528) 18.293 7.589 ( -10.311 0.000 1.178) 10.378 7.624 ( 2.554 0.000 1.283) 2.859 7.651 ( -4.485 0.000 4.163) 6.119 7.946 ( -0.335 0.000 0.724) 0.798 8.126 ( -3.253 0.000 -3.485) 4.767 8.363 ( 2.187 0.000 -2.115) 3.043 8.674 ( -1.568 0.000 1.509) 2.176 8.700 ( -2.871 0.000 -1.614) 3.294 8.960 ( 3.561 0.000 1.478) 3.856 9.384 ( 3.292 0.000 -6.349) 7.151 9.560 ( 1.470 0.000 4.676) 4.901 9.684 ( -5.126 0.000 3.636) 6.284 9.826 ( 4.180 0.000 2.329) 4.786 9.942 ( -2.389 0.000 3.649) 4.361 10.596 ( -0.110 0.000 -0.640) 0.650 10.659 ( -1.346 0.000 -2.111) 2.503 11.324 ( 0.552 0.000 -0.218) 0.593 11.361 ( 0.851 0.000 -1.285) 1.541 11.832 ( -0.784 0.000 -2.883) 2.988 11.961 ( -2.143 0.000 -4.942) 5.387 12.466 ( 1.886 0.000 0.738) 2.025 12.487 ( 4.774 0.000 0.517) 4.802 12.698 ( 0.917 0.000 3.133) 3.265 12.964 ( 18.637 0.000 1.176) 18.674 13.755 ( 3.868 0.000 1.228) 4.058 13.975 ( -21.105 0.000 -1.340) 21.147 14.044 ( -0.496 0.000 0.826) 0.963 14.177 ( -11.253 0.000 -4.145) 11.993 14.843 ( -0.814 0.000 0.440) 0.926 14.884 ( 0.712 0.000 -0.521) 0.882 15.147 ( -0.216 0.000 -0.458) 0.506 15.184 ( -0.307 0.000 -0.445) 0.541 15.443 ( 0.636 0.000 -0.340) 0.722 15.488 ( 0.326 0.000 -0.687) 0.760 17.116 ( -0.467 0.000 0.364) 0.592 17.315 ( 20.704 0.000 -2.557) 20.861 19.838 ( 1.253 0.000 2.939) 3.195 20.136 ( -3.040 0.000 -2.373) 3.857 21.672 ( 0.199 0.000 -0.611) 0.642 21.688 ( -0.187 0.000 -0.228) 0.295 21.996 ( -1.909 0.000 2.162) 2.884 22.231 ( 0.833 0.000 -0.118) 0.842 22.414 ( -0.081 0.000 1.252) 1.255 22.552 ( -0.956 0.000 1.326) 1.634 27.491 ( -0.075 0.000 -0.355) 0.363 27.495 ( 0.111 0.000 -0.008) 0.112 28.205 ( 0.114 0.000 0.304) 0.324 28.232 ( 8.889 0.000 -0.107) 8.890 28.259 ( -0.368 0.000 0.016) 0.369 28.260 ( -0.089 0.000 -0.031) 0.094 28.758 ( 0.149 0.000 1.021) 1.032 28.790 ( 0.886 0.000 0.162) 0.900 29.235 ( -0.524 0.000 8.173) 8.190 29.878 ( -0.762 0.000 -1.903) 2.050 30.211 ( -0.573 0.000 -4.526) 4.562 30.578 ( 2.286 0.000 -7.299) 7.649 31.070 ( -0.520 0.000 6.139) 6.161 31.821 ( 0.121 0.000 -7.319) 7.320 32.087 ( 1.483 0.000 4.794) 5.018 32.269 ( -1.001 0.000 4.123) 4.243 32.621 ( -14.923 0.000 -1.817) 15.034 32.679 ( 1.126 0.000 0.731) 1.342 33.355 ( 5.497 0.000 -1.733) 5.763 33.602 ( -0.811 0.000 -3.720) 3.808 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 25.010 0.000 12.305) 27.874 0.849 ( 24.909 0.000 16.929) 30.118 1.474 ( 39.590 0.000 30.266) 49.834 1.766 ( 12.769 0.000 10.011) 16.225 2.195 ( 15.935 0.000 2.565) 16.140 2.314 ( 0.907 0.000 0.802) 1.210 2.516 ( 5.025 0.000 3.994) 6.419 2.598 ( -1.870 0.000 1.514) 2.406 2.672 ( 2.129 0.000 -3.792) 4.349 2.784 ( -4.734 0.000 -5.138) 6.987 2.876 ( 5.005 0.000 3.720) 6.236 2.904 ( -2.293 0.000 -3.843) 4.475 3.033 ( 6.188 0.000 -1.730) 6.425 3.144 ( 1.728 0.000 -1.956) 2.610 3.398 ( 7.361 0.000 3.451) 8.130 3.471 ( -3.780 0.000 -9.057) 9.814 3.553 ( -2.505 0.000 -5.843) 6.357 3.610 ( -2.487 0.000 -6.972) 7.403 3.917 ( 5.573 0.000 -8.708) 10.339 4.031 ( -1.463 0.000 3.742) 4.018 4.038 ( 2.240 0.000 0.259) 2.255 4.126 ( -4.571 0.000 -6.065) 7.595 4.132 ( -0.232 0.000 -4.505) 4.511 4.346 ( -5.302 0.000 -6.237) 8.186 4.595 ( 6.133 0.000 11.331) 12.884 4.611 ( 14.631 0.000 -4.988) 15.458 4.686 ( 4.205 0.000 -4.821) 6.397 4.891 ( -3.077 0.000 3.673) 4.792 5.092 ( 2.216 0.000 0.343) 2.243 5.114 ( -1.020 0.000 -0.046) 1.021 5.398 ( 4.896 0.000 1.212) 5.044 5.411 ( 0.905 0.000 5.060) 5.140 5.524 ( -0.221 0.000 2.454) 2.464 5.801 ( 2.752 0.000 -0.360) 2.776 5.848 ( -1.485 0.000 -0.309) 1.517 6.007 ( 0.532 0.000 -4.584) 4.614 6.160 ( 2.863 0.000 1.356) 3.168 6.191 ( -4.132 0.000 -4.566) 6.158 6.282 ( 0.165 0.000 -1.373) 1.383 6.391 ( 4.374 0.000 1.526) 4.632 6.581 ( 5.705 0.000 1.681) 5.948 6.755 ( -1.847 0.000 -1.656) 2.480 6.841 ( -15.268 0.000 18.454) 23.951 6.996 ( 0.003 0.000 7.974) 7.974 7.509 ( -6.857 0.000 2.079) 7.165 7.703 ( 0.696 0.000 -2.480) 2.576 7.752 ( 8.371 0.000 2.164) 8.646 7.991 ( 3.694 0.000 -1.693) 4.063 8.034 ( -4.338 0.000 -4.025) 5.917 8.467 ( -9.302 0.000 5.659) 10.888 8.491 ( 7.642 0.000 -0.450) 7.656 8.740 ( 6.869 0.000 -2.253) 7.229 9.086 ( 7.884 0.000 2.650) 8.317 9.442 ( 2.110 0.000 -3.102) 3.752 9.638 ( 5.950 0.000 5.626) 8.188 9.716 ( 6.875 0.000 4.847) 8.411 9.843 ( -0.632 0.000 3.588) 3.643 9.891 ( -2.107 0.000 1.137) 2.394 10.558 ( -4.084 0.000 -0.579) 4.125 10.571 ( -6.488 0.000 -2.694) 7.025 11.326 ( 0.668 0.000 0.471) 0.817 11.369 ( 0.868 0.000 -0.609) 1.061 11.780 ( -1.808 0.000 -4.481) 4.832 11.915 ( -2.060 0.000 -4.776) 5.201 12.631 ( 12.315 0.000 0.775) 12.340 12.640 ( 9.703 0.000 2.035) 9.914 12.678 ( 0.231 0.000 2.708) 2.718 13.353 ( -7.992 0.000 -7.175) 10.741 13.718 ( -8.239 0.000 3.373) 8.903 13.731 ( -8.827 0.000 -10.321) 13.581 13.873 ( -15.793 0.000 0.469) 15.800 14.020 ( -15.264 0.000 -8.334) 17.391 14.779 ( -13.708 0.000 0.043) 13.708 14.800 ( -10.745 0.000 -1.568) 10.859 15.200 ( -0.561 0.000 -0.153) 0.582 15.287 ( 5.209 0.000 -6.833) 8.592 15.480 ( 20.547 0.000 -5.323) 21.225 15.515 ( 12.355 0.000 -1.087) 12.403 17.373 ( 23.377 0.000 -0.047) 23.377 17.877 ( 24.624 0.000 -12.124) 27.447 19.604 ( -20.912 0.000 2.694) 21.085 19.695 ( -27.973 0.000 2.757) 28.108 21.672 ( -2.175 0.000 -0.086) 2.177 21.709 ( -0.511 0.000 -0.477) 0.699 22.158 ( 15.352 0.000 0.091) 15.352 22.231 ( 1.786 0.000 2.822) 3.340 22.407 ( 0.296 0.000 2.837) 2.852 22.601 ( 8.774 0.000 11.327) 14.328 27.488 ( -0.135 0.000 -0.314) 0.341 27.495 ( 0.025 0.000 -0.037) 0.045 28.178 ( -5.645 0.000 0.476) 5.665 28.206 ( -4.566 0.000 -0.133) 4.568 28.466 ( 22.227 0.000 -1.087) 22.253 28.842 ( 8.429 0.000 0.413) 8.439 28.894 ( 8.965 0.000 0.691) 8.992 29.277 ( 50.593 0.000 -44.443) 67.341 29.349 ( 10.337 0.000 7.239) 12.620 29.923 ( 5.386 0.000 -6.056) 8.104 30.222 ( 1.887 0.000 -4.295) 4.691 30.628 ( 2.774 0.000 -11.331) 11.666 31.049 ( -1.685 0.000 5.631) 5.878 31.759 ( -7.199 0.000 -3.252) 7.900 32.065 ( -4.059 0.000 6.323) 7.514 32.118 ( -24.901 0.000 23.391) 34.165 32.214 ( -4.257 0.000 2.513) 4.943 32.657 ( -3.314 0.000 2.699) 4.273 33.036 ( -19.308 0.000 6.657) 20.423 33.470 ( -11.363 0.000 -4.505) 12.223 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 28.108 0.000 0.268) 28.110 1.416 ( 28.206 0.000 11.594) 30.496 2.109 ( 18.529 0.000 6.847) 19.754 2.175 ( 20.968 0.000 18.581) 28.016 2.334 ( 1.008 0.000 0.333) 1.061 2.404 ( 0.429 0.000 -3.141) 3.170 2.531 ( 0.065 0.000 2.128) 2.129 2.573 ( -0.527 0.000 3.066) 3.111 2.718 ( 0.377 0.000 -4.495) 4.511 2.721 ( -1.984 0.000 -6.135) 6.448 2.843 ( -0.627 0.000 1.674) 1.787 3.026 ( 9.832 0.000 9.272) 13.514 3.143 ( -2.837 0.000 -6.158) 6.780 3.250 ( 3.768 0.000 -0.989) 3.896 3.429 ( 7.810 0.000 -2.683) 8.258 3.449 ( -0.416 0.000 0.356) 0.548 3.595 ( 8.119 0.000 -4.116) 9.103 3.705 ( 8.121 0.000 -6.126) 10.173 3.921 ( -2.062 0.000 2.747) 3.435 3.953 ( -5.024 0.000 -3.242) 5.979 3.996 ( -5.769 0.000 -0.617) 5.801 4.044 ( -6.915 0.000 -1.264) 7.030 4.114 ( 4.248 0.000 -7.403) 8.535 4.250 ( -1.700 0.000 -2.478) 3.005 4.590 ( 3.053 0.000 2.800) 4.143 4.825 ( -1.131 0.000 -2.809) 3.028 4.940 ( 7.590 0.000 -5.983) 9.664 4.958 ( 4.714 0.000 -0.898) 4.799 5.133 ( 2.636 0.000 3.498) 4.380 5.205 ( 12.691 0.000 4.536) 13.477 5.472 ( -1.443 0.000 -3.316) 3.617 5.499 ( 6.824 0.000 3.449) 7.646 5.550 ( 5.744 0.000 6.571) 8.728 5.810 ( -0.822 0.000 -0.748) 1.111 5.890 ( 6.946 0.000 -1.334) 7.073 5.953 ( -3.752 0.000 -2.418) 4.463 6.098 ( -4.366 0.000 -5.918) 7.354 6.290 ( 1.562 0.000 0.387) 1.609 6.314 ( 11.296 0.000 -1.614) 11.411 6.520 ( 7.143 0.000 0.550) 7.164 6.610 ( 0.475 0.000 5.186) 5.208 6.698 ( -2.399 0.000 2.876) 3.745 6.826 ( 7.324 0.000 3.731) 8.220 6.994 ( -0.072 0.000 5.892) 5.893 7.409 ( -1.870 0.000 0.400) 1.912 7.650 ( -4.620 0.000 0.473) 4.645 7.903 ( 2.291 0.000 3.007) 3.780 8.062 ( 11.387 0.000 -4.281) 12.165 8.098 ( 7.904 0.000 -3.336) 8.580 8.280 ( -7.656 0.000 5.368) 9.351 8.745 ( 14.400 0.000 -0.470) 14.408 8.899 ( 7.857 0.000 -5.352) 9.507 9.263 ( 8.462 0.000 3.248) 9.064 9.483 ( 2.814 0.000 1.093) 3.019 9.790 ( 6.866 0.000 4.922) 8.448 9.824 ( 1.358 0.000 0.441) 1.428 9.875 ( 1.780 0.000 -0.860) 1.977 9.914 ( 9.334 0.000 6.493) 11.371 10.429 ( -6.104 0.000 -2.557) 6.618 10.437 ( -6.541 0.000 -0.321) 6.548 11.396 ( 6.464 0.000 1.385) 6.610 11.426 ( 4.853 0.000 0.136) 4.855 11.760 ( -0.824 0.000 -5.182) 5.247 11.868 ( -2.534 0.000 -4.362) 5.045 12.517 ( -10.540 0.000 3.920) 11.246 12.922 ( 11.795 0.000 1.729) 11.921 12.966 ( 13.339 0.000 1.551) 13.429 13.055 ( -16.690 0.000 -2.160) 16.829 13.363 ( -23.370 0.000 -4.384) 23.778 13.428 ( -22.545 0.000 -0.373) 22.548 13.453 ( -18.609 0.000 3.453) 18.927 13.582 ( -22.232 0.000 -5.894) 23.000 14.360 ( -25.151 0.000 0.268) 25.152 14.403 ( -24.892 0.000 -0.848) 24.906 15.037 ( -11.087 0.000 -0.060) 11.087 15.148 ( -10.928 0.000 -2.136) 11.135 16.051 ( 33.027 0.000 -1.548) 33.063 16.209 ( 37.417 0.000 -14.927) 40.285 17.974 ( 33.009 0.000 0.597) 33.015 18.344 ( 22.129 0.000 -0.725) 22.141 19.122 ( -23.722 0.000 1.111) 23.748 19.175 ( -21.071 0.000 -1.757) 21.145 21.554 ( -9.559 0.000 0.251) 9.562 21.614 ( -8.894 0.000 -0.623) 8.916 22.318 ( 5.893 0.000 1.197) 6.014 22.355 ( 2.750 0.000 -1.226) 3.011 22.582 ( 15.355 0.000 4.766) 16.077 22.837 ( 11.100 0.000 8.871) 14.209 27.490 ( 0.377 0.000 -0.282) 0.471 27.499 ( 0.466 0.000 -0.063) 0.471 28.038 ( -7.463 0.000 0.732) 7.499 28.083 ( -7.056 0.000 -0.064) 7.057 29.037 ( 30.767 0.000 -2.726) 30.887 29.079 ( 14.178 0.000 0.700) 14.195 29.140 ( 14.335 0.000 1.004) 14.370 29.616 ( 14.171 0.000 5.254) 15.114 29.894 ( 14.175 0.000 -9.644) 17.145 30.126 ( 15.391 0.000 -24.801) 29.188 30.289 ( 4.910 0.000 -2.847) 5.675 30.674 ( 2.181 0.000 -13.173) 13.352 31.013 ( -1.858 0.000 5.189) 5.511 31.521 ( -12.652 0.000 13.958) 18.839 31.812 ( -9.485 0.000 8.189) 12.531 31.923 ( -9.775 0.000 6.288) 11.622 32.113 ( -5.253 0.000 1.124) 5.372 32.544 ( -7.866 0.000 4.289) 8.959 32.700 ( -13.689 0.000 -0.575) 13.701 33.163 ( -17.383 0.000 -4.861) 18.050 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 22.419 0.000 -3.589) 22.705 1.952 ( 20.531 0.000 9.644) 22.683 2.275 ( -3.091 0.000 5.231) 6.076 2.342 ( -1.752 0.000 1.686) 2.431 2.350 ( -2.756 0.000 -0.027) 2.756 2.430 ( 9.884 0.000 -2.224) 10.131 2.522 ( -5.068 0.000 1.735) 5.357 2.602 ( 4.401 0.000 2.439) 5.032 2.679 ( -0.856 0.000 4.331) 4.414 2.745 ( 6.959 0.000 -8.282) 10.818 2.937 ( 7.066 0.000 3.931) 8.086 3.010 ( -7.231 0.000 -5.371) 9.007 3.247 ( 8.731 0.000 9.620) 12.992 3.272 ( 3.132 0.000 -5.281) 6.140 3.441 ( -0.818 0.000 -2.055) 2.212 3.570 ( 3.817 0.000 -4.404) 5.828 3.676 ( -6.177 0.000 2.497) 6.662 3.771 ( -1.380 0.000 2.600) 2.944 3.872 ( -2.978 0.000 -5.664) 6.399 3.883 ( -5.200 0.000 -3.092) 6.050 3.947 ( 4.277 0.000 11.598) 12.362 4.032 ( 8.380 0.000 0.588) 8.401 4.220 ( 5.556 0.000 -2.745) 6.197 4.242 ( -1.158 0.000 -4.228) 4.384 4.794 ( -5.448 0.000 2.381) 5.945 4.805 ( 14.857 0.000 -3.371) 15.234 4.934 ( -1.288 0.000 -2.890) 3.164 4.944 ( -2.893 0.000 -4.243) 5.135 5.095 ( -6.881 0.000 -11.179) 13.127 5.291 ( -4.173 0.000 2.336) 4.782 5.483 ( 4.043 0.000 -1.183) 4.212 5.659 ( 6.465 0.000 3.850) 7.524 5.705 ( 7.670 0.000 8.882) 11.735 5.863 ( 5.637 0.000 0.949) 5.717 5.919 ( 1.815 0.000 -2.307) 2.936 5.955 ( -4.233 0.000 -3.425) 5.445 6.079 ( 2.844 0.000 -1.482) 3.207 6.349 ( 3.001 0.000 5.383) 6.163 6.445 ( -0.774 0.000 -5.833) 5.884 6.660 ( 4.454 0.000 1.949) 4.862 6.753 ( 11.524 0.000 1.898) 11.679 6.770 ( 8.390 0.000 5.767) 10.181 7.029 ( 10.344 0.000 0.053) 10.344 7.029 ( 8.164 0.000 1.682) 8.335 7.448 ( 5.195 0.000 -2.767) 5.886 7.547 ( -4.141 0.000 0.881) 4.234 7.949 ( 3.346 0.000 5.191) 6.176 8.137 ( -6.541 0.000 2.455) 6.986 8.331 ( 14.121 0.000 -1.724) 14.226 8.388 ( 18.170 0.000 -3.769) 18.557 9.052 ( 14.837 0.000 -1.732) 14.938 9.058 ( 8.914 0.000 -7.161) 11.434 9.402 ( 4.413 0.000 5.492) 7.045 9.562 ( 3.832 0.000 3.967) 5.515 9.837 ( 0.454 0.000 -0.487) 0.666 9.863 ( 1.273 0.000 -1.473) 1.947 10.042 ( 11.890 0.000 2.283) 12.107 10.118 ( 9.998 0.000 0.656) 10.020 10.371 ( 1.800 0.000 -2.239) 2.873 10.386 ( 4.647 0.000 3.935) 6.089 11.556 ( 6.946 0.000 0.503) 6.964 11.564 ( 8.099 0.000 1.298) 8.202 11.705 ( -5.125 0.000 -1.760) 5.419 11.788 ( -5.926 0.000 -0.506) 5.947 12.265 ( -13.410 0.000 1.695) 13.517 12.629 ( -21.537 0.000 0.246) 21.538 12.726 ( -29.404 0.000 0.656) 29.412 12.746 ( -26.685 0.000 -0.601) 26.692 13.044 ( -14.246 0.000 -4.362) 14.899 13.066 ( -18.892 0.000 1.927) 18.990 13.317 ( 1.136 0.000 1.444) 1.837 13.356 ( 0.890 0.000 -2.607) 2.755 13.875 ( -14.947 0.000 0.018) 14.947 13.895 ( -18.523 0.000 -0.207) 18.525 14.795 ( -12.343 0.000 -0.253) 12.346 14.889 ( -13.867 0.000 -1.433) 13.940 16.730 ( 31.613 0.000 -1.790) 31.664 16.901 ( 30.329 0.000 -10.455) 32.080 18.535 ( -2.327 0.000 1.411) 2.721 18.548 ( -10.568 0.000 0.855) 10.603 18.816 ( 17.251 0.000 -0.276) 17.253 19.093 ( 21.080 0.000 -1.902) 21.165 21.268 ( -18.343 0.000 0.550) 18.352 21.342 ( -17.475 0.000 -0.568) 17.484 22.433 ( 5.681 0.000 0.095) 5.682 22.464 ( 8.212 0.000 -0.099) 8.212 22.832 ( 7.567 0.000 3.077) 8.169 22.999 ( 3.765 0.000 5.195) 6.416 27.507 ( 1.451 0.000 -0.260) 1.474 27.519 ( 1.516 0.000 -0.065) 1.517 27.885 ( -7.290 0.000 0.624) 7.317 27.928 ( -7.746 0.000 -0.032) 7.746 29.397 ( 16.023 0.000 0.314) 16.026 29.448 ( 14.843 0.000 0.451) 14.850 29.644 ( 26.281 0.000 -2.612) 26.411 29.895 ( 12.348 0.000 2.401) 12.580 30.069 ( 5.116 0.000 -0.814) 5.180 30.425 ( 8.272 0.000 -0.396) 8.282 30.425 ( 13.747 0.000 -17.854) 22.533 30.715 ( 2.756 0.000 -10.340) 10.701 30.984 ( -1.082 0.000 4.959) 5.076 31.324 ( -7.328 0.000 11.656) 13.768 31.620 ( -10.086 0.000 3.604) 10.711 31.684 ( -13.368 0.000 4.403) 14.074 32.016 ( -3.643 0.000 0.673) 3.704 32.357 ( -9.140 0.000 1.497) 9.262 32.472 ( -9.145 0.000 -1.315) 9.240 32.786 ( -18.441 0.000 -4.149) 18.902 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.163 0.000 2.820) 3.051 2.163 ( -3.425 0.000 -1.286) 3.658 2.231 ( 3.177 0.000 1.282) 3.426 2.310 ( -0.753 0.000 0.716) 1.039 2.359 ( 1.296 0.000 2.375) 2.705 2.426 ( -2.222 0.000 5.148) 5.607 2.515 ( -0.197 0.000 -2.935) 2.941 2.695 ( 2.680 0.000 1.958) 3.319 2.786 ( 9.540 0.000 0.297) 9.544 2.881 ( 4.383 0.000 -8.798) 9.829 2.970 ( 7.085 0.000 1.687) 7.283 3.087 ( 6.814 0.000 3.301) 7.572 3.345 ( 1.587 0.000 1.124) 1.945 3.366 ( -6.242 0.000 4.240) 7.546 3.379 ( 4.395 0.000 -8.130) 9.242 3.555 ( -4.021 0.000 1.818) 4.413 3.654 ( 3.869 0.000 -0.027) 3.869 3.719 ( -0.288 0.000 -1.734) 1.757 3.817 ( -2.104 0.000 -0.975) 2.319 3.836 ( 1.138 0.000 0.222) 1.159 4.026 ( -0.903 0.000 6.203) 6.268 4.116 ( -2.370 0.000 -9.414) 9.708 4.191 ( -1.751 0.000 -1.062) 2.048 4.338 ( 5.778 0.000 -2.536) 6.310 4.617 ( -10.950 0.000 4.816) 11.963 4.736 ( -9.705 0.000 -0.429) 9.715 4.809 ( -2.730 0.000 7.580) 8.056 5.084 ( 6.557 0.000 -5.175) 8.353 5.143 ( 7.006 0.000 -6.682) 9.682 5.263 ( 1.860 0.000 -3.232) 3.729 5.562 ( 3.161 0.000 1.114) 3.351 5.709 ( -0.240 0.000 0.821) 0.855 5.811 ( -1.673 0.000 -0.014) 1.673 5.916 ( 4.984 0.000 4.010) 6.397 5.989 ( 3.300 0.000 -4.421) 5.517 6.039 ( 10.108 0.000 -0.403) 10.116 6.044 ( -5.397 0.000 -1.433) 5.584 6.400 ( -1.925 0.000 -4.412) 4.814 6.459 ( 8.392 0.000 5.838) 10.223 6.636 ( -5.335 0.000 2.511) 5.896 6.918 ( 4.589 0.000 0.532) 4.620 6.939 ( 7.881 0.000 4.267) 8.962 7.140 ( 2.296 0.000 2.109) 3.117 7.193 ( -4.293 0.000 2.768) 5.108 7.571 ( 5.647 0.000 -3.751) 6.779 7.645 ( 15.263 0.000 -3.285) 15.613 7.998 ( -7.190 0.000 1.401) 7.325 8.014 ( 1.265 0.000 6.529) 6.650 8.637 ( 13.915 0.000 -1.713) 14.020 8.741 ( 14.996 0.000 -4.847) 15.760 9.266 ( 8.382 0.000 -7.934) 11.541 9.282 ( 4.251 0.000 -4.139) 5.933 9.484 ( 5.730 0.000 3.946) 6.958 9.619 ( 3.012 0.000 4.399) 5.332 9.835 ( -2.898 0.000 0.533) 2.946 9.857 ( 1.099 0.000 -0.731) 1.320 10.353 ( 19.480 0.000 2.635) 19.657 10.403 ( 19.535 0.000 -4.076) 19.956 10.524 ( 12.731 0.000 -2.632) 13.001 10.634 ( 16.517 0.000 6.262) 17.664 11.508 ( -13.789 0.000 3.703) 14.278 11.544 ( -15.407 0.000 8.128) 17.419 11.564 ( -15.963 0.000 2.179) 16.111 11.619 ( -15.198 0.000 1.132) 15.240 11.962 ( -5.359 0.000 -2.768) 6.032 12.207 ( -7.570 0.000 -0.376) 7.579 12.354 ( -2.499 0.000 -0.451) 2.539 12.442 ( -4.765 0.000 -1.277) 4.933 12.663 ( -20.300 0.000 1.047) 20.327 12.704 ( -16.699 0.000 -4.173) 17.213 13.025 ( -20.502 0.000 0.737) 20.515 13.084 ( -20.502 0.000 -2.377) 20.639 13.926 ( 14.140 0.000 0.238) 14.142 13.945 ( 13.499 0.000 0.343) 13.503 14.529 ( -13.532 0.000 -0.530) 13.542 14.585 ( -15.522 0.000 -1.025) 15.556 17.319 ( 25.595 0.000 -1.646) 25.647 17.448 ( 23.480 0.000 -6.013) 24.237 18.187 ( -19.674 0.000 -0.935) 19.696 18.228 ( -16.996 0.000 -1.930) 17.106 19.490 ( 35.461 0.000 1.174) 35.481 19.683 ( 31.727 0.000 -0.135) 31.727 20.803 ( -26.712 0.000 0.744) 26.722 20.900 ( -25.335 0.000 -0.535) 25.340 22.586 ( 8.726 0.000 0.418) 8.736 22.650 ( 9.599 0.000 -0.226) 9.602 22.889 ( -1.685 0.000 1.964) 2.588 22.995 ( -3.899 0.000 2.237) 4.495 27.552 ( 2.939 0.000 -0.174) 2.945 27.566 ( 3.152 0.000 -0.070) 3.153 27.745 ( -6.249 0.000 0.362) 6.260 27.775 ( -6.987 0.000 -0.114) 6.988 29.703 ( 12.753 0.000 -0.684) 12.771 29.713 ( 10.033 0.000 -0.273) 10.037 29.970 ( 5.152 0.000 -0.441) 5.171 30.108 ( -1.201 0.000 -0.635) 1.359 30.214 ( 18.859 0.000 -1.027) 18.887 30.599 ( 6.652 0.000 1.330) 6.784 30.674 ( 10.593 0.000 -12.262) 16.204 30.797 ( 5.968 0.000 -2.864) 6.620 30.974 ( 0.529 0.000 4.437) 4.469 31.210 ( -4.542 0.000 5.399) 7.055 31.397 ( -14.095 0.000 2.816) 14.374 31.405 ( -10.353 0.000 3.700) 10.994 32.000 ( 2.992 0.000 0.213) 2.999 32.212 ( -4.566 0.000 -0.909) 4.656 32.308 ( -6.517 0.000 -0.603) 6.545 32.425 ( -16.026 0.000 -2.490) 16.218 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -2.380 0.000 -0.481) 2.428 2.120 ( -3.578 0.000 -1.294) 3.804 2.203 ( -1.636 0.000 1.180) 2.017 2.308 ( 0.918 0.000 2.206) 2.389 2.368 ( -0.608 0.000 1.504) 1.622 2.397 ( -2.622 0.000 3.959) 4.748 2.515 ( 1.318 0.000 -3.620) 3.853 2.756 ( 1.252 0.000 0.651) 1.411 2.824 ( -2.259 0.000 2.024) 3.033 2.962 ( 5.184 0.000 -5.396) 7.483 3.163 ( -2.063 0.000 0.406) 2.102 3.185 ( -5.682 0.000 -0.483) 5.703 3.275 ( 1.511 0.000 -2.165) 2.640 3.305 ( 3.832 0.000 4.142) 5.643 3.347 ( -3.537 0.000 2.686) 4.442 3.621 ( 4.131 0.000 -4.774) 6.313 3.665 ( -2.957 0.000 -1.446) 3.291 3.667 ( -7.237 0.000 -5.055) 8.827 3.791 ( 0.482 0.000 -0.438) 0.651 3.880 ( -4.098 0.000 -0.499) 4.128 3.962 ( 0.631 0.000 1.484) 1.613 3.989 ( -1.393 0.000 -13.273) 13.346 4.157 ( 0.647 0.000 -1.275) 1.430 4.434 ( -3.082 0.000 4.682) 5.605 4.450 ( 4.070 0.000 -1.716) 4.417 4.790 ( 12.359 0.000 12.281) 17.423 4.890 ( 7.450 0.000 11.735) 13.900 5.142 ( 0.969 0.000 0.480) 1.082 5.250 ( 3.394 0.000 -2.482) 4.205 5.304 ( 1.209 0.000 -2.549) 2.821 5.593 ( 0.261 0.000 -0.722) 0.767 5.683 ( -2.065 0.000 -1.286) 2.432 5.739 ( -4.113 0.000 -1.138) 4.268 5.928 ( -4.356 0.000 -2.091) 4.832 5.998 ( -2.820 0.000 -4.207) 5.064 6.034 ( 4.796 0.000 2.623) 5.466 6.241 ( 9.300 0.000 -6.236) 11.197 6.361 ( -2.646 0.000 -5.094) 5.740 6.530 ( -3.313 0.000 7.639) 8.326 6.647 ( 4.953 0.000 6.790) 8.405 6.967 ( 0.299 0.000 -0.196) 0.358 7.016 ( -7.568 0.000 1.624) 7.740 7.074 ( 0.255 0.000 1.446) 1.468 7.089 ( -2.915 0.000 2.052) 3.565 7.639 ( 0.311 0.000 -2.167) 2.189 7.790 ( -8.642 0.000 -5.918) 10.474 7.968 ( 9.048 0.000 3.065) 9.554 7.987 ( -3.416 0.000 2.777) 4.402 8.816 ( 1.655 0.000 -1.473) 2.215 8.973 ( 7.096 0.000 -4.772) 8.551 9.244 ( -4.115 0.000 -3.123) 5.165 9.258 ( -6.711 0.000 -3.485) 7.562 9.603 ( 1.564 0.000 -2.405) 2.869 9.728 ( 3.685 0.000 -2.930) 4.708 9.755 ( -3.873 0.000 1.880) 4.305 9.821 ( -4.847 0.000 0.965) 4.942 10.748 ( 4.615 0.000 -0.005) 4.615 10.828 ( -13.052 0.000 0.241) 13.054 10.832 ( -1.314 0.000 1.449) 1.956 10.895 ( 15.717 0.000 -2.025) 15.847 11.040 ( 3.022 0.000 1.991) 3.618 11.108 ( -0.018 0.000 2.284) 2.284 11.322 ( 1.834 0.000 11.849) 11.990 11.372 ( -2.817 0.000 10.222) 10.603 12.127 ( 7.005 0.000 -0.979) 7.073 12.218 ( -4.066 0.000 -2.152) 4.601 12.295 ( -6.796 0.000 0.897) 6.855 12.393 ( -5.857 0.000 -2.269) 6.281 12.410 ( 1.203 0.000 -1.148) 1.663 12.495 ( 6.309 0.000 -2.517) 6.792 12.737 ( -2.698 0.000 -1.852) 3.272 12.849 ( 2.412 0.000 -1.507) 2.844 14.183 ( -3.905 0.000 0.066) 3.906 14.198 ( -2.539 0.000 -0.072) 2.540 14.298 ( 3.780 0.000 -0.299) 3.792 14.308 ( 2.368 0.000 -0.795) 2.498 17.751 ( -10.612 0.000 -2.298) 10.858 17.804 ( 9.706 0.000 -1.253) 9.786 17.844 ( -3.677 0.000 -3.570) 5.125 17.902 ( 4.575 0.000 -2.969) 5.453 20.152 ( -5.184 0.000 0.772) 5.242 20.226 ( 4.413 0.000 0.970) 4.518 20.313 ( -30.304 0.000 -0.867) 30.317 20.329 ( 29.164 0.000 -0.153) 29.164 22.738 ( 0.286 0.000 1.267) 1.299 22.818 ( 0.377 0.000 1.106) 1.169 22.822 ( 1.383 0.000 1.407) 1.973 22.883 ( -1.284 0.000 -0.441) 1.358 27.627 ( 1.300 0.000 0.218) 1.318 27.636 ( -1.242 0.000 -0.072) 1.244 27.642 ( -1.569 0.000 -0.237) 1.587 27.656 ( 1.501 0.000 -0.069) 1.502 29.805 ( -2.230 0.000 -1.962) 2.970 29.847 ( -1.608 0.000 -2.393) 2.883 30.015 ( 1.177 0.000 0.572) 1.309 30.074 ( 0.770 0.000 0.024) 0.770 30.528 ( 5.887 0.000 -0.280) 5.894 30.581 ( -4.804 0.000 1.218) 4.956 30.811 ( 2.918 0.000 -5.988) 6.661 30.905 ( -0.198 0.000 -5.046) 5.050 31.043 ( 0.361 0.000 3.401) 3.420 31.145 ( -0.430 0.000 4.232) 4.254 31.170 ( -1.657 0.000 2.233) 2.781 31.268 ( -0.166 0.000 4.444) 4.448 32.146 ( -9.977 0.000 -0.513) 9.990 32.157 ( 11.491 0.000 -0.258) 11.494 32.169 ( 0.097 0.000 -1.037) 1.041 32.226 ( -0.720 0.000 -1.368) 1.546 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -7.749 0.000 -5.235) 9.351 2.008 ( -6.887 0.000 -6.612) 9.547 2.257 ( 5.716 0.000 1.533) 5.918 2.303 ( -6.933 0.000 2.885) 7.509 2.335 ( -1.621 0.000 3.132) 3.527 2.367 ( 4.457 0.000 3.054) 5.403 2.544 ( -1.830 0.000 -4.562) 4.916 2.727 ( -3.699 0.000 1.347) 3.937 2.728 ( -7.556 0.000 2.039) 7.826 2.899 ( -11.911 0.000 -4.216) 12.635 3.058 ( -10.832 0.000 -0.199) 10.833 3.084 ( 5.653 0.000 -0.511) 5.676 3.130 ( -9.529 0.000 -3.163) 10.041 3.312 ( -0.840 0.000 -4.820) 4.893 3.413 ( 2.710 0.000 -4.022) 4.850 3.543 ( -0.138 0.000 0.704) 0.717 3.575 ( -1.338 0.000 2.009) 2.414 3.658 ( -5.124 0.000 -2.248) 5.596 3.796 ( 3.472 0.000 -3.877) 5.205 3.872 ( 6.665 0.000 1.398) 6.810 4.053 ( 4.450 0.000 -3.323) 5.554 4.069 ( 3.155 0.000 8.687) 9.242 4.216 ( 4.083 0.000 -2.977) 5.053 4.441 ( -5.364 0.000 1.788) 5.654 4.510 ( 9.310 0.000 3.093) 9.811 5.007 ( 0.877 0.000 2.377) 2.533 5.108 ( 13.979 0.000 12.306) 18.624 5.145 ( -1.606 0.000 -1.199) 2.004 5.299 ( 3.139 0.000 0.419) 3.167 5.320 ( 2.378 0.000 -0.422) 2.415 5.562 ( -2.769 0.000 3.953) 4.826 5.620 ( -4.491 0.000 -3.409) 5.638 5.732 ( 3.353 0.000 -1.214) 3.566 5.829 ( -6.207 0.000 -1.668) 6.428 5.887 ( -6.532 0.000 -3.397) 7.363 6.131 ( 4.792 0.000 0.962) 4.888 6.259 ( -5.531 0.000 -1.391) 5.703 6.416 ( 5.572 0.000 -5.334) 7.714 6.469 ( -16.664 0.000 7.448) 18.253 6.495 ( -1.955 0.000 4.252) 4.680 6.879 ( -9.813 0.000 0.639) 9.834 6.922 ( -4.855 0.000 2.097) 5.289 7.075 ( 7.495 0.000 -3.570) 8.302 7.097 ( -5.045 0.000 1.281) 5.205 7.549 ( -12.345 0.000 -3.999) 12.977 7.561 ( -6.693 0.000 -4.225) 7.915 7.930 ( -1.483 0.000 2.101) 2.572 8.102 ( 3.309 0.000 2.687) 4.263 8.697 ( -10.843 0.000 0.202) 10.845 8.902 ( -14.749 0.000 0.682) 14.764 9.154 ( -6.565 0.000 -7.908) 10.278 9.176 ( 0.385 0.000 -8.851) 8.859 9.411 ( -13.800 0.000 0.899) 13.829 9.551 ( -13.777 0.000 0.298) 13.780 9.815 ( 6.170 0.000 0.470) 6.187 9.844 ( 3.020 0.000 -0.390) 3.045 10.277 ( -22.652 0.000 0.693) 22.663 10.321 ( -22.923 0.000 -2.771) 23.090 10.753 ( -8.822 0.000 4.735) 10.012 10.757 ( -13.884 0.000 5.263) 14.848 11.490 ( 21.135 0.000 5.815) 21.921 11.530 ( 13.294 0.000 0.433) 13.301 11.632 ( 10.485 0.000 1.902) 10.656 11.656 ( 20.468 0.000 10.504) 23.005 12.062 ( 8.122 0.000 2.722) 8.566 12.133 ( 5.453 0.000 -4.725) 7.215 12.313 ( -0.110 0.000 -2.849) 2.851 12.317 ( 4.221 0.000 -5.221) 6.714 12.615 ( 18.276 0.000 -1.113) 18.310 12.808 ( 18.272 0.000 0.081) 18.273 12.956 ( 19.051 0.000 -2.621) 19.230 13.127 ( 20.562 0.000 -0.311) 20.565 13.908 ( -14.137 0.000 -0.416) 14.143 13.920 ( -12.842 0.000 -0.710) 12.862 14.553 ( 13.275 0.000 0.515) 13.285 14.596 ( 15.339 0.000 -0.774) 15.358 17.276 ( -26.182 0.000 -3.460) 26.410 17.465 ( -20.901 0.000 -5.457) 21.602 18.189 ( 18.434 0.000 -0.915) 18.457 18.247 ( 16.902 0.000 -1.056) 16.935 19.467 ( -35.850 0.000 0.323) 35.852 19.630 ( -34.227 0.000 -1.725) 34.270 20.800 ( 26.107 0.000 0.635) 26.115 20.901 ( 24.971 0.000 -0.448) 24.975 22.594 ( -8.643 0.000 0.927) 8.693 22.659 ( -9.748 0.000 -1.011) 9.800 22.910 ( 2.831 0.000 2.664) 3.888 22.990 ( 3.929 0.000 2.759) 4.801 27.555 ( -2.878 0.000 0.015) 2.878 27.560 ( -3.210 0.000 -0.358) 3.230 27.744 ( 6.314 0.000 0.308) 6.322 27.779 ( 7.072 0.000 0.052) 7.072 29.650 ( -11.416 0.000 -2.596) 11.707 29.665 ( -13.267 0.000 -1.928) 13.406 29.986 ( -6.257 0.000 0.776) 6.305 30.114 ( 0.691 0.000 -0.742) 1.014 30.241 ( -18.876 0.000 -0.775) 18.892 30.632 ( -3.768 0.000 2.144) 4.336 30.743 ( -11.570 0.000 -11.999) 16.668 30.780 ( -5.180 0.000 -2.437) 5.724 30.957 ( -1.140 0.000 3.983) 4.143 31.249 ( 9.406 0.000 10.835) 14.348 31.361 ( 12.505 0.000 1.237) 12.566 31.390 ( 8.706 0.000 1.074) 8.772 32.015 ( -2.136 0.000 0.990) 2.354 32.207 ( 3.817 0.000 -1.471) 4.091 32.288 ( 6.233 0.000 -1.501) 6.411 32.466 ( 17.424 0.000 -0.712) 17.439 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -21.652 0.000 -10.611) 24.112 1.789 ( -13.138 0.000 0.336) 13.143 2.159 ( -5.774 0.000 3.677) 6.845 2.198 ( -21.521 0.000 -5.204) 22.141 2.366 ( 3.152 0.000 0.738) 3.237 2.386 ( 2.792 0.000 2.643) 3.845 2.446 ( 1.493 0.000 0.076) 1.495 2.664 ( 0.199 0.000 0.850) 0.873 2.691 ( 1.794 0.000 -1.223) 2.171 2.730 ( -6.040 0.000 -2.613) 6.580 2.834 ( -7.171 0.000 -5.691) 9.155 3.050 ( -1.616 0.000 5.647) 5.874 3.199 ( 6.087 0.000 0.401) 6.100 3.344 ( 1.888 0.000 -2.491) 3.125 3.399 ( -1.340 0.000 -7.214) 7.338 3.543 ( -4.466 0.000 0.907) 4.557 3.607 ( 3.021 0.000 -4.432) 5.363 3.615 ( 4.422 0.000 3.971) 5.943 3.858 ( 1.520 0.000 -0.220) 1.536 4.016 ( 5.763 0.000 -0.398) 5.777 4.052 ( -3.465 0.000 6.070) 6.989 4.103 ( -0.691 0.000 1.155) 1.346 4.266 ( -10.308 0.000 2.309) 10.563 4.312 ( 3.547 0.000 -0.987) 3.682 4.716 ( 8.748 0.000 -0.959) 8.801 4.857 ( -13.367 0.000 0.206) 13.368 5.114 ( -0.526 0.000 -4.438) 4.469 5.191 ( -3.031 0.000 8.586) 9.105 5.360 ( -11.315 0.000 -9.077) 14.506 5.416 ( -9.017 0.000 0.836) 9.056 5.446 ( -3.218 0.000 12.968) 13.361 5.526 ( 6.303 0.000 1.717) 6.532 5.680 ( 2.300 0.000 6.021) 6.445 5.765 ( -5.187 0.000 -4.208) 6.679 5.867 ( 3.749 0.000 -5.292) 6.486 6.134 ( -5.287 0.000 6.665) 8.507 6.181 ( -4.260 0.000 5.544) 6.991 6.247 ( 0.215 0.000 -2.201) 2.212 6.336 ( -4.492 0.000 -6.649) 8.025 6.571 ( 2.467 0.000 -4.999) 5.574 6.732 ( -9.552 0.000 5.216) 10.883 6.751 ( -12.040 0.000 4.748) 12.942 6.862 ( -10.202 0.000 -4.671) 11.221 7.030 ( -11.446 0.000 -2.239) 11.663 7.455 ( -2.607 0.000 -1.611) 3.065 7.483 ( 7.211 0.000 -2.259) 7.556 7.909 ( -1.276 0.000 2.744) 3.026 8.103 ( -3.308 0.000 1.619) 3.683 8.485 ( -7.618 0.000 1.758) 7.818 8.551 ( -16.125 0.000 1.788) 16.224 8.907 ( -14.383 0.000 -6.958) 15.977 9.134 ( -5.111 0.000 -5.531) 7.531 9.218 ( -6.228 0.000 -0.700) 6.267 9.336 ( -6.052 0.000 -1.486) 6.232 9.898 ( 1.065 0.000 -1.127) 1.551 9.907 ( -1.296 0.000 -1.272) 1.816 9.932 ( -11.006 0.000 2.414) 11.267 9.966 ( -9.196 0.000 -0.279) 9.201 10.531 ( -6.573 0.000 5.765) 8.743 10.588 ( -5.580 0.000 5.361) 7.738 11.478 ( -9.556 0.000 -1.504) 9.674 11.540 ( -9.355 0.000 -0.279) 9.359 11.916 ( 17.362 0.000 6.228) 18.445 11.955 ( 5.657 0.000 7.043) 9.033 12.183 ( 2.631 0.000 -3.250) 4.181 12.382 ( 17.860 0.000 -9.366) 20.167 12.729 ( 29.644 0.000 0.812) 29.655 12.755 ( 29.467 0.000 0.405) 29.470 12.968 ( 16.608 0.000 -2.503) 16.795 13.151 ( 11.990 0.000 0.477) 12.000 13.239 ( 1.234 0.000 -2.111) 2.445 13.415 ( 3.268 0.000 -0.540) 3.312 13.867 ( 14.488 0.000 -0.399) 14.494 13.893 ( 20.026 0.000 -0.066) 20.026 14.812 ( 11.924 0.000 0.555) 11.937 14.896 ( 13.741 0.000 -1.453) 13.817 16.678 ( -31.618 0.000 -4.073) 31.879 16.988 ( -25.560 0.000 -8.285) 26.869 18.495 ( -0.901 0.000 -0.148) 0.913 18.516 ( 0.826 0.000 0.931) 1.244 18.808 ( -14.884 0.000 -0.496) 14.893 19.009 ( -16.440 0.000 -4.287) 16.989 21.257 ( 18.159 0.000 0.186) 18.160 21.339 ( 17.429 0.000 -0.552) 17.438 22.439 ( -6.003 0.000 0.665) 6.040 22.468 ( -8.392 0.000 -1.833) 8.590 22.880 ( -6.399 0.000 4.738) 7.962 22.993 ( -4.235 0.000 6.012) 7.354 27.512 ( -1.412 0.000 -0.036) 1.412 27.512 ( -1.486 0.000 -0.376) 1.532 27.886 ( 7.353 0.000 0.659) 7.383 27.936 ( 8.028 0.000 0.251) 8.032 29.357 ( -15.806 0.000 -1.203) 15.851 29.369 ( -15.119 0.000 -2.881) 15.391 29.640 ( -26.034 0.000 -1.025) 26.054 29.919 ( -13.048 0.000 2.111) 13.218 30.065 ( -5.689 0.000 -2.445) 6.193 30.467 ( -14.538 0.000 -20.758) 25.343 30.485 ( -8.142 0.000 1.204) 8.231 30.657 ( -5.572 0.000 -1.393) 5.743 30.985 ( 2.142 0.000 5.210) 5.633 31.510 ( 14.149 0.000 12.506) 18.884 31.569 ( 9.328 0.000 3.707) 10.038 31.617 ( 11.951 0.000 1.327) 12.024 32.045 ( 4.211 0.000 2.228) 4.764 32.322 ( 7.093 0.000 -1.461) 7.242 32.453 ( 9.318 0.000 -1.502) 9.438 32.845 ( 19.011 0.000 -1.510) 19.071 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -28.578 0.000 -6.056) 29.212 1.407 ( -25.451 0.000 10.581) 27.563 1.824 ( -11.204 0.000 -2.844) 11.559 1.963 ( -17.249 0.000 9.175) 19.537 2.392 ( 0.778 0.000 0.991) 1.260 2.462 ( 0.340 0.000 1.175) 1.223 2.500 ( 4.971 0.000 2.119) 5.404 2.633 ( -1.313 0.000 -1.306) 1.852 2.645 ( -6.796 0.000 -3.574) 7.678 2.727 ( -2.234 0.000 -2.827) 3.603 2.736 ( 0.373 0.000 1.220) 1.276 3.067 ( 3.036 0.000 8.301) 8.839 3.263 ( -4.480 0.000 -1.583) 4.751 3.327 ( -7.203 0.000 5.227) 8.900 3.380 ( -1.352 0.000 -7.145) 7.272 3.399 ( -0.324 0.000 -5.600) 5.609 3.693 ( 3.254 0.000 -2.039) 3.840 3.759 ( 9.143 0.000 -9.972) 13.529 3.861 ( -1.212 0.000 6.615) 6.725 3.875 ( -17.254 0.000 1.675) 17.335 3.956 ( -5.829 0.000 -6.196) 8.507 4.107 ( 0.184 0.000 3.697) 3.702 4.153 ( 0.027 0.000 -8.506) 8.506 4.333 ( -0.340 0.000 1.502) 1.540 4.580 ( -12.065 0.000 1.446) 12.151 4.801 ( -3.771 0.000 -4.031) 5.520 4.955 ( -13.013 0.000 -3.893) 13.583 5.052 ( -11.885 0.000 -0.688) 11.905 5.159 ( -4.107 0.000 6.270) 7.496 5.172 ( 2.132 0.000 1.839) 2.816 5.496 ( 2.033 0.000 4.872) 5.279 5.574 ( -3.371 0.000 5.241) 6.231 5.740 ( 2.137 0.000 -4.384) 4.877 5.749 ( 1.343 0.000 1.887) 2.317 5.854 ( -4.650 0.000 -5.719) 7.371 6.123 ( 2.022 0.000 6.106) 6.432 6.184 ( 5.872 0.000 13.010) 14.274 6.216 ( -4.555 0.000 -6.138) 7.644 6.244 ( -16.667 0.000 -3.128) 16.958 6.342 ( 0.243 0.000 -6.189) 6.193 6.521 ( -8.118 0.000 4.765) 9.413 6.740 ( 5.502 0.000 1.995) 5.853 6.800 ( -0.715 0.000 -3.266) 3.343 6.808 ( -9.119 0.000 1.261) 9.206 7.446 ( 1.791 0.000 2.073) 2.740 7.662 ( 8.143 0.000 -1.108) 8.218 7.870 ( -2.936 0.000 1.228) 3.182 8.011 ( -3.977 0.000 -1.532) 4.262 8.294 ( -9.066 0.000 4.681) 10.203 8.395 ( -2.666 0.000 1.239) 2.940 8.666 ( -7.340 0.000 0.011) 7.340 8.982 ( -8.897 0.000 -1.615) 9.042 9.092 ( -6.270 0.000 -3.233) 7.054 9.281 ( 0.299 0.000 -5.424) 5.433 9.723 ( -8.323 0.000 2.442) 8.674 9.765 ( -5.068 0.000 -0.084) 5.068 9.893 ( -4.780 0.000 3.433) 5.885 9.943 ( 1.527 0.000 1.912) 2.447 10.513 ( 3.125 0.000 2.612) 4.073 10.557 ( 2.028 0.000 2.848) 3.496 11.307 ( -5.438 0.000 -1.677) 5.691 11.379 ( -5.231 0.000 -1.795) 5.531 11.975 ( -2.203 0.000 0.994) 2.417 12.054 ( -0.960 0.000 1.815) 2.053 12.392 ( 13.946 0.000 -0.399) 13.952 12.696 ( 5.311 0.000 -6.889) 8.699 12.888 ( -12.977 0.000 -1.843) 13.108 12.991 ( -1.894 0.000 -1.552) 2.449 13.301 ( 15.513 0.000 -2.991) 15.799 13.472 ( 24.502 0.000 1.162) 24.529 13.474 ( 25.538 0.000 1.090) 25.561 13.722 ( 23.512 0.000 -1.521) 23.561 14.340 ( 24.976 0.000 -0.721) 24.987 14.421 ( 25.859 0.000 0.146) 25.860 15.043 ( 10.383 0.000 0.310) 10.387 15.153 ( 11.073 0.000 -2.323) 11.314 16.008 ( -31.762 0.000 -3.351) 31.938 16.391 ( -32.626 0.000 -13.197) 35.194 17.952 ( -31.579 0.000 0.123) 31.579 18.059 ( -30.939 0.000 -4.264) 31.231 19.092 ( 22.710 0.000 -0.227) 22.711 19.216 ( 23.181 0.000 -0.819) 23.196 21.543 ( 9.694 0.000 -0.075) 9.694 21.611 ( 9.090 0.000 -0.474) 9.103 22.321 ( -5.770 0.000 -1.871) 6.066 22.354 ( -2.726 0.000 -0.209) 2.734 22.651 ( -15.299 0.000 6.557) 16.645 22.822 ( -11.967 0.000 10.146) 15.689 27.494 ( -0.373 0.000 -0.333) 0.500 27.494 ( -0.409 0.000 -0.083) 0.418 28.041 ( 7.484 0.000 0.840) 7.532 28.097 ( 7.266 0.000 0.424) 7.279 28.999 ( -25.882 0.000 -4.160) 26.214 29.045 ( -13.767 0.000 -0.827) 13.791 29.107 ( -17.927 0.000 0.695) 17.940 29.634 ( -14.597 0.000 5.047) 15.445 29.835 ( -19.204 0.000 -18.938) 26.971 30.151 ( -13.230 0.000 -19.481) 23.548 30.340 ( -5.756 0.000 -1.448) 5.935 30.573 ( -2.475 0.000 -2.342) 3.408 31.030 ( 1.877 0.000 6.214) 6.491 31.689 ( 5.936 0.000 -4.738) 7.596 31.842 ( 9.631 0.000 2.158) 9.870 31.937 ( 23.602 0.000 28.068) 36.672 32.153 ( 5.434 0.000 3.442) 6.433 32.478 ( 7.645 0.000 -0.933) 7.702 32.646 ( 9.076 0.000 -2.015) 9.297 33.220 ( 16.882 0.000 -2.346) 17.044 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -16.123 0.000 15.960) 22.686 0.851 ( -26.280 0.000 15.505) 30.513 1.399 ( -36.879 0.000 23.938) 43.967 1.673 ( -5.128 0.000 8.100) 9.587 2.346 ( -5.604 0.000 -0.716) 5.650 2.370 ( -19.155 0.000 9.861) 21.544 2.464 ( -6.307 0.000 -3.621) 7.272 2.504 ( 4.603 0.000 3.593) 5.839 2.646 ( -3.174 0.000 3.174) 4.489 2.722 ( 1.646 0.000 -1.949) 2.551 2.760 ( 7.345 0.000 -2.571) 7.782 3.087 ( -4.010 0.000 -1.693) 4.353 3.124 ( -1.498 0.000 4.155) 4.417 3.213 ( -5.871 0.000 0.100) 5.871 3.293 ( -3.648 0.000 -2.479) 4.411 3.477 ( 5.324 0.000 -7.972) 9.586 3.543 ( -12.920 0.000 -3.092) 13.285 3.715 ( -9.250 0.000 -7.293) 11.779 3.775 ( 3.810 0.000 -4.937) 6.236 3.891 ( 2.026 0.000 -12.419) 12.583 3.938 ( 3.695 0.000 4.651) 5.941 4.055 ( -3.135 0.000 -5.923) 6.702 4.158 ( -1.627 0.000 -3.787) 4.122 4.357 ( 2.793 0.000 -6.523) 7.096 4.467 ( 3.202 0.000 -3.481) 4.730 4.601 ( -7.423 0.000 -6.898) 10.133 4.830 ( -1.449 0.000 4.515) 4.742 4.936 ( -3.485 0.000 7.142) 7.947 5.141 ( -0.359 0.000 2.201) 2.230 5.209 ( -0.292 0.000 2.739) 2.755 5.499 ( -3.721 0.000 7.031) 7.955 5.520 ( 0.297 0.000 2.883) 2.898 5.683 ( -10.650 0.000 -5.065) 11.793 5.743 ( -1.705 0.000 -3.828) 4.191 5.781 ( 3.361 0.000 -4.533) 5.643 5.985 ( -6.779 0.000 -4.761) 8.284 6.146 ( 0.301 0.000 -7.057) 7.063 6.167 ( 0.667 0.000 4.338) 4.389 6.371 ( 0.297 0.000 -0.789) 0.843 6.384 ( -4.134 0.000 1.534) 4.409 6.442 ( 14.260 0.000 21.850) 26.091 6.680 ( 0.661 0.000 11.521) 11.540 6.786 ( -0.554 0.000 -2.347) 2.411 6.862 ( 5.783 0.000 3.460) 6.739 7.527 ( 5.309 0.000 2.424) 5.836 7.768 ( 0.869 0.000 -4.494) 4.578 7.775 ( -6.192 0.000 2.815) 6.802 7.964 ( -1.030 0.000 -0.331) 1.082 8.177 ( -2.929 0.000 1.314) 3.210 8.352 ( -0.763 0.000 -1.976) 2.118 8.624 ( 2.230 0.000 5.593) 6.022 8.793 ( -8.700 0.000 1.201) 8.782 8.973 ( -4.234 0.000 -1.983) 4.675 9.321 ( 3.125 0.000 -7.212) 7.860 9.587 ( -4.498 0.000 4.084) 6.075 9.714 ( -0.303 0.000 4.103) 4.114 9.802 ( -3.061 0.000 3.282) 4.488 9.964 ( 0.153 0.000 3.418) 3.422 10.580 ( 2.151 0.000 0.158) 2.156 10.629 ( 3.586 0.000 0.006) 3.586 11.279 ( 2.191 0.000 -0.708) 2.302 11.336 ( 0.633 0.000 -2.054) 2.149 11.895 ( -4.873 0.000 -2.724) 5.582 12.008 ( -2.528 0.000 -2.569) 3.604 12.546 ( -10.589 0.000 -0.787) 10.618 12.571 ( -6.271 0.000 0.301) 6.278 12.638 ( 0.978 0.000 0.934) 1.352 13.044 ( -0.613 0.000 -9.183) 9.203 13.591 ( 11.755 0.000 -2.075) 11.937 13.894 ( 14.653 0.000 1.156) 14.699 13.914 ( 15.210 0.000 0.301) 15.213 14.247 ( 23.451 0.000 -8.833) 25.059 14.761 ( 13.948 0.000 -0.884) 13.976 14.858 ( 14.400 0.000 -0.689) 14.417 15.194 ( 0.801 0.000 -0.424) 0.906 15.329 ( 4.125 0.000 -4.755) 6.295 15.506 ( -11.107 0.000 -1.206) 11.172 15.610 ( -40.596 0.000 -16.457) 43.805 17.378 ( -22.609 0.000 0.457) 22.614 17.456 ( -25.417 0.000 -4.737) 25.854 19.567 ( 21.403 0.000 1.139) 21.433 19.760 ( 27.949 0.000 1.659) 27.998 21.664 ( 2.381 0.000 -0.339) 2.405 21.713 ( 0.790 0.000 -0.201) 0.815 22.206 ( -14.745 0.000 1.808) 14.856 22.229 ( -2.657 0.000 -0.633) 2.731 22.420 ( -2.535 0.000 3.585) 4.391 22.591 ( -7.968 0.000 12.578) 14.889 27.491 ( 0.035 0.000 -0.209) 0.212 27.492 ( 0.093 0.000 -0.225) 0.244 28.181 ( 5.540 0.000 0.606) 5.573 28.219 ( 4.213 0.000 0.333) 4.226 28.459 ( -21.598 0.000 -1.068) 21.624 28.812 ( -9.508 0.000 -3.150) 10.016 28.862 ( -7.770 0.000 -0.286) 7.775 29.134 ( -48.325 0.000 -41.690) 63.823 29.361 ( -11.079 0.000 7.189) 13.207 29.953 ( -6.249 0.000 -5.012) 8.011 30.249 ( -2.976 0.000 -3.538) 4.623 30.551 ( 0.375 0.000 -4.244) 4.261 31.063 ( 0.907 0.000 6.434) 6.498 31.784 ( 3.535 0.000 -6.661) 7.541 32.006 ( 6.058 0.000 3.371) 6.933 32.246 ( 2.994 0.000 4.310) 5.247 32.536 ( 27.488 0.000 20.767) 34.451 32.620 ( 6.943 0.000 2.160) 7.271 32.831 ( 13.552 0.000 4.952) 14.428 33.504 ( 10.039 0.000 -3.028) 10.486 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -3.880 17.507 17.263) 24.891 0.880 ( -7.055 20.052 24.863) 32.711 1.263 ( 8.399 24.800 20.478) 33.241 1.509 ( -1.257 0.471 13.950) 14.014 1.762 ( -3.597 -20.864 10.013) 23.420 2.443 ( 1.654 7.536 2.951) 8.260 2.482 ( 0.118 3.384 -1.671) 3.776 2.589 ( -0.993 -4.913 3.330) 6.017 2.608 ( 1.576 -1.352 -0.778) 2.217 2.776 ( -3.640 -0.410 1.163) 3.843 2.855 ( 1.710 -1.477 -3.086) 3.825 2.940 ( 4.162 -3.368 -4.238) 6.828 2.986 ( 0.114 -4.545 -1.410) 4.760 3.180 ( -5.894 1.726 -2.038) 6.471 3.215 ( 5.097 -1.376 -1.124) 5.398 3.366 ( 4.982 -5.743 8.156) 11.150 3.556 ( -2.093 -1.289 -7.768) 8.148 3.598 ( -3.254 -3.937 -6.985) 8.654 3.804 ( -1.328 1.294 -3.761) 4.194 3.869 ( 3.727 -3.262 -10.826) 11.905 4.024 ( 1.824 -0.235 -2.671) 3.244 4.029 ( 7.041 -0.018 -9.169) 11.561 4.327 ( -0.518 5.973 -4.757) 7.653 4.391 ( 5.607 2.642 -1.574) 6.395 4.454 ( 0.115 -4.546 -6.614) 8.026 4.526 ( -0.523 -1.059 -4.354) 4.511 4.770 ( -5.349 -0.557 4.902) 7.277 4.866 ( -2.127 -4.116 5.232) 6.989 5.091 ( -0.904 4.609 0.274) 4.705 5.294 ( -1.843 6.044 1.814) 6.574 5.357 ( -7.614 -3.693 5.077) 9.869 5.447 ( -2.874 0.318 5.820) 6.499 5.555 ( 0.389 3.278 2.409) 4.087 5.713 ( 1.167 -3.641 1.183) 4.002 5.879 ( 0.465 1.419 -2.364) 2.796 5.934 ( 3.240 0.367 -4.930) 5.911 6.143 ( -1.701 -1.747 -1.198) 2.717 6.173 ( 3.998 -0.950 -4.141) 5.834 6.287 ( 2.402 -2.543 0.299) 3.511 6.325 ( -1.595 0.146 -0.056) 1.603 6.564 ( -0.700 3.422 9.131) 9.777 6.713 ( 3.045 -9.071 17.949) 20.341 6.945 ( 2.578 8.096 -2.125) 8.758 7.180 ( 1.572 -3.672 2.602) 4.768 7.597 ( -2.459 -1.531 1.423) 3.227 7.628 ( 1.568 -2.592 -1.347) 3.316 7.659 ( -4.567 4.343 3.128) 7.036 7.892 ( -2.098 -4.932 0.136) 5.361 8.179 ( 0.198 4.383 -2.978) 5.302 8.349 ( 1.174 -2.268 -2.346) 3.468 8.567 ( -2.809 -0.761 3.205) 4.329 8.713 ( -2.956 -3.517 -2.681) 5.320 9.027 ( 4.357 7.135 2.617) 8.760 9.359 ( 5.435 -5.609 -1.880) 8.033 9.580 ( 1.723 2.420 4.040) 5.015 9.689 ( -1.354 -2.057 4.835) 5.426 9.803 ( 0.733 1.602 3.242) 3.690 9.926 ( -2.045 -2.373 3.800) 4.925 10.599 ( -1.469 1.193 -1.509) 2.421 10.656 ( -1.823 -0.752 -1.914) 2.748 11.321 ( 1.383 0.209 -0.556) 1.505 11.352 ( 1.064 -0.889 -1.257) 1.871 11.847 ( -1.754 1.908 -3.047) 4.000 11.947 ( -2.795 -2.004 -4.076) 5.333 12.455 ( 1.996 -0.355 1.253) 2.383 12.467 ( 1.895 -0.111 0.775) 2.050 12.826 ( -0.382 6.467 -2.845) 7.075 12.947 ( 11.706 -1.678 1.193) 11.886 13.807 ( 2.690 4.050 -3.923) 6.248 13.952 ( -8.450 -2.624 -2.630) 9.231 14.091 ( -1.046 3.099 -2.207) 3.945 14.159 ( -5.212 -1.493 -3.575) 6.494 14.852 ( -0.540 0.945 0.252) 1.117 14.883 ( 0.515 -0.275 -0.423) 0.721 15.154 ( -0.512 0.618 -0.372) 0.884 15.179 ( -0.343 -0.495 -0.425) 0.737 15.449 ( 0.482 0.679 -0.251) 0.869 15.483 ( 0.120 -0.637 -0.425) 0.775 17.157 ( -1.191 3.292 -1.965) 4.015 17.281 ( 10.120 -3.003 -1.994) 10.743 19.880 ( 1.216 3.557 1.419) 4.018 20.046 ( -1.241 -6.206 2.322) 6.742 21.673 ( 0.098 0.120 -0.664) 0.682 21.682 ( -0.312 -0.388 -0.475) 0.688 22.074 ( -1.863 6.123 0.965) 6.472 22.247 ( -0.327 0.437 0.366) 0.657 22.355 ( -0.429 -4.513 4.562) 6.432 22.449 ( 1.674 -5.432 6.582) 8.697 27.492 ( -0.023 0.051 -0.291) 0.296 27.494 ( 0.028 -0.070 -0.050) 0.091 28.218 ( -1.577 0.689 -0.397) 1.766 28.230 ( 5.441 -0.157 -0.094) 5.444 28.259 ( -0.372 0.011 -0.003) 0.372 28.260 ( -0.098 -0.021 -0.019) 0.102 28.759 ( 0.363 0.492 0.839) 1.039 28.788 ( 0.765 -0.540 0.436) 1.033 29.534 ( 0.531 19.537 -5.760) 20.375 29.865 ( -0.620 -1.951 -1.276) 2.413 30.248 ( -0.413 4.303 -7.399) 8.569 30.516 ( 1.528 -6.448 -7.592) 10.077 31.089 ( -0.918 2.368 7.760) 8.165 31.490 ( -5.017 -28.526 20.865) 35.697 31.915 ( 1.192 1.126 0.877) 1.859 32.058 ( 1.303 -3.423 3.605) 5.139 32.704 ( 0.839 2.710 1.550) 3.233 32.826 ( -2.599 -0.095 -2.609) 3.684 33.611 ( -0.650 10.747 -13.767) 17.477 33.651 ( 0.121 5.196 -6.997) 8.716 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 22.984 11.888 9.835) 27.682 1.082 ( 18.777 19.247 13.553) 30.112 1.575 ( 14.305 -16.250 7.666) 22.967 1.795 ( 30.899 26.393 23.642) 47.013 1.940 ( 15.113 -18.495 6.126) 24.658 2.438 ( -0.620 3.336 0.266) 3.404 2.542 ( 3.061 1.264 3.783) 5.028 2.572 ( -1.010 -3.008 -0.946) 3.311 2.602 ( 0.441 -1.664 -2.001) 2.640 2.782 ( 5.267 0.508 2.380) 5.802 2.919 ( -0.634 3.924 -4.902) 6.311 2.998 ( 1.230 4.160 -1.656) 4.643 3.024 ( 6.474 -3.993 -1.328) 7.721 3.174 ( 3.085 3.342 1.308) 4.732 3.323 ( 5.657 -4.529 -0.161) 7.249 3.431 ( -1.268 -2.963 -1.833) 3.708 3.520 ( 0.130 -3.363 -7.311) 8.048 3.601 ( 1.283 -4.595 -6.508) 8.069 3.789 ( 2.238 -5.752 -1.956) 6.474 3.881 ( -2.196 -7.369 -4.735) 9.030 4.081 ( 1.956 1.844 -4.021) 4.837 4.142 ( -1.907 0.435 -7.107) 7.372 4.203 ( -5.440 3.407 1.002) 6.496 4.326 ( -7.562 -2.280 -6.836) 10.446 4.550 ( 7.143 -0.760 6.584) 9.744 4.673 ( 13.788 -1.667 -2.146) 14.053 4.717 ( 5.764 4.711 -2.704) 7.920 4.812 ( -2.349 -3.946 1.455) 4.817 5.128 ( 3.117 4.823 1.985) 6.076 5.231 ( -3.524 7.129 0.767) 7.990 5.352 ( 3.169 -2.958 3.796) 5.763 5.419 ( 1.645 -1.040 1.490) 2.451 5.564 ( -0.060 3.387 1.995) 3.932 5.724 ( -0.582 -5.642 -0.507) 5.694 5.871 ( 0.083 1.593 0.879) 1.821 6.022 ( 2.747 -4.021 -3.119) 5.783 6.101 ( -1.076 3.498 -1.873) 4.111 6.224 ( 1.135 2.305 -5.191) 5.792 6.323 ( 1.358 2.963 -0.089) 3.261 6.381 ( 6.435 -2.591 1.513) 7.100 6.581 ( 1.611 -0.956 6.434) 6.701 6.660 ( -6.299 -10.124 15.905) 19.879 6.900 ( -5.871 11.236 -4.405) 13.421 7.100 ( 0.422 5.895 6.028) 8.442 7.479 ( -8.467 -1.632 2.020) 8.857 7.671 ( 1.918 -6.565 1.880) 7.093 7.760 ( 7.235 2.653 -0.340) 7.713 7.904 ( 3.985 -5.454 -1.494) 6.918 8.148 ( -3.660 7.815 -4.449) 9.710 8.390 ( -1.536 -6.140 1.711) 6.556 8.525 ( 2.877 3.680 0.318) 4.682 8.707 ( 5.792 -3.922 -2.633) 7.474 9.143 ( 6.536 6.092 3.720) 9.679 9.421 ( 1.147 -4.160 0.389) 4.332 9.662 ( 5.993 2.797 5.436) 8.561 9.723 ( 6.176 0.347 4.597) 7.707 9.832 ( 0.591 -0.564 2.910) 3.023 9.879 ( -2.010 -1.486 1.534) 2.932 10.541 ( -4.249 -0.862 -1.265) 4.516 10.564 ( -6.435 -0.838 -2.615) 6.996 11.330 ( 0.683 0.491 0.405) 0.934 11.362 ( 0.831 -0.789 -0.391) 1.210 11.798 ( -2.005 1.914 -4.441) 5.235 11.893 ( -2.139 -2.178 -4.622) 5.539 12.620 ( 12.289 0.043 1.015) 12.331 12.639 ( 12.769 -0.353 1.419) 12.852 12.762 ( -3.068 7.350 2.063) 8.228 13.158 ( -2.530 -14.287 -1.246) 14.563 13.738 ( -10.363 2.096 -4.552) 11.511 13.796 ( -11.199 1.540 -4.537) 12.181 13.904 ( -16.254 3.589 -0.619) 16.657 14.007 ( -15.374 -1.454 -6.723) 16.843 14.787 ( -13.286 0.718 -0.138) 13.306 14.802 ( -11.168 0.111 -1.221) 11.235 15.202 ( 0.136 0.307 -0.318) 0.463 15.255 ( 5.400 -2.685 -4.148) 7.319 15.476 ( 16.005 0.031 -2.668) 16.226 15.506 ( 12.294 -0.925 -0.990) 12.368 17.419 ( 23.885 4.735 -1.094) 24.375 17.731 ( 26.723 -11.739 -5.720) 29.743 19.631 ( -21.831 2.070 1.400) 21.974 19.686 ( -26.288 -0.908 2.263) 26.401 21.678 ( -1.784 0.596 -0.353) 1.913 21.703 ( -0.550 -0.603 -0.614) 1.021 22.230 ( 14.985 5.679 -0.197) 16.026 22.260 ( 2.544 3.270 4.262) 5.943 22.387 ( 0.550 -1.768 2.214) 2.886 22.533 ( 9.642 -6.243 9.502) 14.908 27.489 ( -0.117 0.107 -0.255) 0.300 27.494 ( 0.018 -0.113 -0.061) 0.129 28.186 ( -5.516 0.657 0.310) 5.563 28.204 ( -4.719 -0.209 -0.085) 4.724 28.496 ( 24.116 3.368 -1.430) 24.392 28.838 ( 23.969 -9.417 -7.203) 26.741 28.856 ( 14.307 -4.055 -0.198) 14.872 28.905 ( 17.289 -6.376 -1.059) 18.458 29.684 ( 12.803 13.773 -9.987) 21.292 29.913 ( 5.308 -1.470 -4.448) 7.079 30.266 ( 2.689 4.998 -7.587) 9.475 30.560 ( 2.946 -7.188 -9.862) 12.555 31.061 ( -2.017 1.560 7.017) 7.466 31.370 ( -6.928 -23.306 21.458) 32.428 31.899 ( -2.867 1.776 1.135) 3.558 32.035 ( -3.803 -3.070 4.619) 6.725 32.669 ( -5.534 2.581 1.321) 6.248 32.682 ( -9.481 6.931 -1.584) 11.851 33.224 ( -26.477 17.379 -1.497) 31.706 33.481 ( -13.943 0.475 -5.168) 14.878 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 26.392 5.029 8.402) 28.150 1.488 ( 19.896 9.729 2.834) 22.328 1.935 ( 19.430 -15.988 2.683) 25.305 2.131 ( 3.488 -18.077 4.449) 18.940 2.397 ( 0.924 6.252 5.399) 8.312 2.462 ( 19.237 18.780 11.281) 29.155 2.571 ( -0.142 -1.719 3.447) 3.854 2.592 ( 1.727 2.928 -1.685) 3.794 2.620 ( 0.880 -1.515 -3.037) 3.506 2.813 ( -5.883 2.597 -2.970) 7.084 2.897 ( 3.757 5.081 -1.371) 6.466 3.034 ( 4.732 -0.412 4.641) 6.641 3.181 ( -0.238 1.671 -6.246) 6.470 3.237 ( 1.860 -0.827 0.768) 2.175 3.412 ( 3.441 -1.566 0.430) 3.805 3.471 ( 9.479 3.111 1.199) 10.049 3.579 ( 8.047 -3.480 -3.363) 9.391 3.679 ( 6.288 -2.630 -6.866) 9.675 3.787 ( -1.474 -9.194 -0.097) 9.312 3.899 ( 2.970 -6.832 -1.515) 7.602 3.967 ( -8.406 0.633 -4.154) 9.398 4.048 ( -7.016 -1.139 -3.876) 8.096 4.160 ( 1.195 3.144 -2.836) 4.399 4.237 ( -0.764 -1.261 -1.783) 2.314 4.588 ( 3.363 0.703 2.619) 4.320 4.739 ( 0.730 -6.554 -1.576) 6.780 4.985 ( 6.038 4.377 -4.626) 8.776 5.067 ( 8.688 8.749 2.892) 12.664 5.151 ( 1.702 0.459 2.606) 3.146 5.213 ( 6.679 0.214 1.862) 6.937 5.439 ( 4.509 -1.753 2.691) 5.536 5.475 ( 1.261 -0.444 -1.293) 1.859 5.589 ( 4.925 1.486 2.822) 5.867 5.711 ( 1.858 -7.999 -2.970) 8.733 5.886 ( 1.396 1.537 0.286) 2.096 6.033 ( -1.081 -3.816 -2.382) 4.626 6.107 ( 1.344 9.382 -0.237) 9.481 6.259 ( 3.687 0.839 -4.568) 5.930 6.382 ( 4.560 2.515 -2.282) 5.686 6.514 ( -4.469 -6.118 5.575) 9.407 6.536 ( 7.765 -1.722 5.715) 9.794 6.689 ( 5.419 -8.011 2.346) 9.952 6.823 ( 0.217 11.558 0.512) 11.571 7.137 ( 2.046 6.242 4.011) 7.697 7.354 ( -2.484 -1.496 1.831) 3.429 7.636 ( -3.201 -4.266 1.631) 5.577 7.941 ( 4.171 3.586 2.380) 5.994 8.024 ( 10.815 -2.381 -2.422) 11.336 8.133 ( 5.197 3.106 -5.227) 7.999 8.272 ( -5.949 -1.504 3.721) 7.176 8.739 ( 13.826 0.530 -1.604) 13.928 8.868 ( 8.591 -3.459 -4.327) 10.222 9.295 ( 7.618 3.438 3.249) 8.967 9.458 ( 3.152 -2.969 2.287) 4.897 9.814 ( 6.171 2.217 4.334) 7.860 9.828 ( 0.553 0.501 0.747) 1.056 9.867 ( 2.997 -0.684 -0.420) 3.102 9.907 ( 9.351 -0.917 6.377) 11.356 10.420 ( -6.200 -0.676 -1.657) 6.453 10.429 ( -5.698 -0.705 -1.654) 5.975 11.397 ( 6.198 0.175 1.487) 6.376 11.419 ( 5.035 -0.669 0.522) 5.106 11.769 ( -1.322 1.084 -5.170) 5.445 11.847 ( -2.435 -2.091 -4.698) 5.689 12.582 ( -10.860 6.579 3.766) 13.244 12.895 ( 0.182 -4.921 2.941) 5.736 12.963 ( 13.015 -0.335 1.195) 13.074 12.979 ( -2.229 -4.405 -1.336) 5.115 13.376 ( -23.364 1.316 -3.511) 23.663 13.423 ( -23.421 -0.667 -1.156) 23.459 13.498 ( -19.670 3.521 0.890) 20.002 13.576 ( -21.779 -0.680 -4.874) 22.328 14.369 ( -25.231 0.949 -0.016) 25.249 14.400 ( -25.060 -0.385 -0.765) 25.075 15.050 ( -10.814 1.394 -0.243) 10.906 15.129 ( -10.694 -1.956 -1.756) 11.012 16.056 ( 33.842 0.690 -2.307) 33.927 16.158 ( 37.436 -4.442 -10.887) 39.239 18.020 ( 32.467 4.753 -0.163) 32.814 18.272 ( 25.787 -6.773 -0.844) 26.675 19.135 ( -23.926 1.101 0.661) 23.960 19.170 ( -21.857 -0.555 -1.272) 21.901 21.563 ( -9.532 0.968 0.062) 9.581 21.605 ( -9.002 -0.890 -0.565) 9.063 22.330 ( 4.546 1.738 3.072) 5.755 22.384 ( 1.770 1.365 0.537) 2.299 22.600 ( 16.111 2.648 3.126) 16.624 22.791 ( 12.117 -4.660 6.828) 14.668 27.491 ( 0.391 0.151 -0.240) 0.483 27.498 ( 0.458 -0.145 -0.085) 0.488 28.047 ( -7.461 0.871 0.567) 7.533 28.078 ( -7.150 -0.502 0.017) 7.168 29.080 ( 20.777 2.348 -1.465) 20.961 29.098 ( 24.185 4.392 -1.082) 24.604 29.131 ( 14.691 -0.866 1.171) 14.763 29.486 ( 23.337 -11.926 -1.438) 26.247 29.936 ( 9.890 3.490 -4.890) 11.571 30.077 ( 10.572 -3.921 -13.469) 17.566 30.358 ( 6.671 6.079 -7.477) 11.720 30.621 ( 3.310 -5.728 -11.000) 12.836 31.021 ( -2.004 1.056 6.293) 6.688 31.250 ( -5.261 -16.265 18.023) 24.840 31.799 ( -6.942 1.717 1.584) 7.325 31.906 ( -8.948 -2.364 5.003) 10.520 32.417 ( -13.025 14.763 -1.008) 19.713 32.544 ( -8.397 -0.104 3.515) 9.104 32.772 ( -16.925 9.701 -0.418) 19.513 33.130 ( -18.729 -3.966 -4.814) 19.741 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 11.406 -6.331 6.333) 14.501 1.949 ( 20.028 2.565 -0.061) 20.192 2.131 ( -2.260 -15.684 2.076) 15.981 2.255 ( 7.716 -7.939 -0.609) 11.087 2.442 ( 5.271 4.229 2.522) 7.213 2.524 ( -2.504 7.014 1.039) 7.519 2.560 ( 0.780 3.173 2.875) 4.353 2.609 ( 0.195 -0.017 -0.951) 0.971 2.705 ( -0.225 -1.747 -2.578) 3.123 2.749 ( 3.279 6.984 1.854) 7.935 2.982 ( 3.366 3.443 -0.629) 4.856 3.039 ( -3.526 3.679 -5.190) 7.273 3.213 ( 4.151 -0.488 2.256) 4.750 3.352 ( 10.283 3.556 5.031) 11.987 3.431 ( 0.453 1.589 -3.999) 4.327 3.594 ( 0.585 1.544 0.200) 1.664 3.659 ( -2.499 -3.250 0.343) 4.114 3.768 ( -0.831 0.158 1.228) 1.491 3.826 ( -2.437 -6.447 2.732) 7.414 3.847 ( -0.022 -3.067 -2.780) 4.139 3.944 ( 4.714 1.520 3.178) 5.885 4.018 ( 5.079 -0.375 -3.413) 6.131 4.207 ( 2.638 -1.130 -0.339) 2.889 4.229 ( -0.599 -1.462 -3.919) 4.225 4.813 ( 14.733 0.834 -2.596) 14.983 4.819 ( 5.063 0.297 -3.744) 6.304 4.935 ( -4.452 0.818 -1.075) 4.653 4.985 ( -6.113 2.286 0.281) 6.532 5.112 ( -8.708 3.497 -6.743) 11.555 5.266 ( -4.769 -2.899 1.767) 5.854 5.481 ( 4.168 0.799 -0.552) 4.280 5.632 ( 8.583 -0.592 4.728) 9.817 5.713 ( 4.377 1.091 2.319) 5.072 5.831 ( 6.919 -4.008 -1.897) 8.218 5.909 ( 0.372 0.059 -2.146) 2.179 5.994 ( -1.232 0.350 -2.394) 2.715 6.144 ( 0.770 6.767 3.330) 7.581 6.362 ( 3.173 0.178 4.376) 5.408 6.428 ( 1.563 -2.223 -5.452) 6.092 6.528 ( 3.623 -6.112 -0.182) 7.108 6.681 ( 6.492 -3.575 7.151) 10.299 6.777 ( 4.311 -7.154 1.134) 8.429 7.013 ( 13.997 8.467 0.301) 16.361 7.222 ( 7.525 5.794 1.810) 9.668 7.384 ( 4.906 0.210 0.253) 4.917 7.592 ( 0.124 -0.067 0.764) 0.777 7.972 ( 1.730 2.932 3.213) 4.681 8.119 ( -5.033 -2.264 2.148) 5.922 8.333 ( 15.128 0.842 -2.643) 15.380 8.388 ( 16.134 -0.300 -2.997) 16.413 9.031 ( 13.540 -1.140 -3.661) 14.072 9.052 ( 10.687 -1.239 -5.161) 11.932 9.426 ( 4.255 2.408 5.077) 7.048 9.542 ( 3.780 -2.299 4.338) 6.196 9.834 ( 0.273 -0.081 -0.739) 0.792 9.857 ( 0.678 -0.685 -1.318) 1.633 10.060 ( 12.310 1.864 2.242) 12.651 10.116 ( 10.654 -0.407 1.033) 10.711 10.366 ( 2.513 -0.133 -0.817) 2.645 10.385 ( 3.835 -0.373 2.102) 4.389 11.555 ( 7.258 -0.041 0.813) 7.304 11.561 ( 8.170 -0.289 1.625) 8.335 11.708 ( -5.123 0.596 -1.941) 5.511 11.771 ( -5.582 -1.765 -1.440) 6.029 12.313 ( -14.732 4.995 2.122) 15.700 12.565 ( -19.913 -6.217 1.194) 20.896 12.728 ( -29.068 0.214 0.582) 29.075 12.742 ( -27.442 -0.414 -0.197) 27.446 13.050 ( -14.726 0.719 -3.860) 15.240 13.074 ( -18.468 0.310 -0.059) 18.471 13.329 ( 1.249 1.179 1.032) 2.004 13.357 ( 0.513 -0.032 -1.727) 1.802 13.878 ( -15.614 0.321 -0.091) 15.617 13.892 ( -18.142 -0.285 -0.239) 18.146 14.808 ( -12.493 1.407 -0.429) 12.579 14.875 ( -13.580 -1.446 -1.277) 13.716 16.745 ( 31.787 1.625 -2.549) 31.930 16.863 ( 31.041 -3.659 -8.473) 32.384 18.535 ( -4.390 0.134 1.124) 4.533 18.547 ( -9.788 -0.183 0.852) 9.826 18.861 ( 18.761 4.466 -0.880) 19.305 19.054 ( 21.248 -4.008 -1.987) 21.714 21.279 ( -18.212 1.129 0.373) 18.251 21.332 ( -17.582 -1.117 -0.426) 17.623 22.441 ( 6.215 1.003 1.563) 6.486 22.474 ( 6.998 0.418 0.563) 7.033 22.848 ( 7.233 1.905 2.402) 7.856 22.969 ( 4.433 -3.024 4.064) 6.731 27.509 ( 1.462 0.175 -0.229) 1.490 27.517 ( 1.508 -0.162 -0.090) 1.519 27.893 ( -7.406 0.752 0.508) 7.462 27.923 ( -7.719 -0.554 0.047) 7.739 29.404 ( 15.859 0.728 0.382) 15.880 29.440 ( 15.025 -0.804 0.495) 15.055 29.689 ( 25.153 4.687 -2.404) 25.699 29.871 ( 14.545 -2.688 1.559) 14.873 30.089 ( 5.696 2.356 -2.118) 6.518 30.297 ( 11.292 -7.764 -10.521) 17.277 30.524 ( 9.331 4.971 -6.104) 12.209 30.688 ( 3.918 -2.957 -8.542) 9.852 30.993 ( -0.907 1.089 5.691) 5.865 31.177 ( -2.627 -10.652 12.459) 16.601 31.620 ( -10.276 0.915 1.826) 10.477 31.679 ( -12.936 -1.126 4.009) 13.590 32.186 ( -8.777 12.273 -0.239) 15.090 32.354 ( -9.079 -0.444 1.385) 9.195 32.498 ( -10.649 3.605 -1.381) 11.327 32.744 ( -18.061 -4.605 -3.837) 19.029 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 2.302 -11.198 4.191) 12.176 2.033 ( -5.091 -13.293 1.536) 14.317 2.235 ( 5.939 0.778 0.460) 6.008 2.333 ( 1.975 -0.973 2.041) 3.003 2.417 ( -2.447 3.167 1.638) 4.324 2.483 ( -1.387 6.162 1.489) 6.489 2.588 ( -3.747 2.126 -2.470) 4.966 2.645 ( 1.250 -4.665 1.404) 5.030 2.785 ( 9.498 0.713 2.329) 9.805 2.854 ( 3.751 -1.738 -6.033) 7.314 3.034 ( 5.483 3.953 -3.617) 7.666 3.096 ( 7.306 1.383 1.763) 7.642 3.310 ( 3.114 2.112 -1.310) 3.984 3.423 ( -3.628 6.115 2.750) 7.623 3.476 ( 2.385 5.758 -3.355) 7.078 3.576 ( 1.280 -0.988 3.824) 4.152 3.662 ( 0.171 0.415 1.355) 1.428 3.689 ( -3.684 -2.940 0.849) 4.789 3.810 ( 3.996 -0.557 -1.243) 4.222 3.853 ( -0.469 -0.223 -2.699) 2.748 3.994 ( -3.765 0.752 -2.114) 4.383 4.073 ( 0.768 -5.278 -2.718) 5.987 4.193 ( -0.465 -0.489 -1.122) 1.309 4.272 ( 0.080 -2.182 -0.309) 2.205 4.747 ( -3.963 3.270 4.842) 7.060 4.781 ( -8.455 6.817 -3.215) 11.327 4.835 ( -5.062 5.401 7.380) 10.452 5.079 ( 3.437 -1.210 -4.721) 5.964 5.145 ( 9.583 0.790 -4.263) 10.518 5.239 ( 3.767 -2.746 -3.995) 6.139 5.560 ( 3.675 -0.717 2.291) 4.389 5.702 ( -1.101 -1.698 1.097) 2.302 5.786 ( 1.220 -1.095 -0.987) 1.913 5.857 ( -1.124 -2.262 -0.268) 2.540 5.987 ( 1.108 -1.334 -4.312) 4.648 6.017 ( 6.509 -0.401 -4.902) 8.158 6.133 ( 0.177 5.413 4.055) 6.766 6.392 ( -0.245 -4.023 0.219) 4.036 6.459 ( 1.209 0.568 0.859) 1.588 6.582 ( 2.500 -0.878 3.136) 4.106 6.777 ( 2.253 -7.569 2.954) 8.431 6.880 ( 4.574 -8.594 2.646) 10.089 7.172 ( 1.418 7.052 2.820) 7.726 7.313 ( -1.115 1.193 3.009) 3.424 7.589 ( 9.352 4.955 -1.985) 10.768 7.684 ( 9.456 2.148 -2.264) 9.958 8.001 ( -2.699 1.437 3.225) 4.444 8.039 ( 0.548 1.006 1.756) 2.097 8.648 ( 14.059 1.207 -1.976) 14.248 8.722 ( 14.502 -1.877 -4.154) 15.201 9.257 ( 7.861 -0.588 -7.245) 10.707 9.274 ( 5.917 -0.938 -5.088) 7.860 9.495 ( 4.450 1.436 4.177) 6.270 9.595 ( 2.542 -2.550 4.620) 5.858 9.834 ( -1.406 0.147 -0.079) 1.416 9.855 ( 0.647 -0.356 -0.553) 0.923 10.374 ( 19.125 1.846 1.489) 19.272 10.407 ( 19.588 0.234 -3.391) 19.881 10.529 ( 12.988 0.885 -1.484) 13.102 10.614 ( 15.959 -2.069 5.030) 16.860 11.513 ( -13.717 0.825 4.235) 14.380 11.552 ( -14.943 0.201 6.479) 16.288 11.571 ( -15.690 0.740 2.396) 15.889 11.609 ( -14.461 -0.936 1.415) 14.560 11.979 ( -6.787 2.200 -1.827) 7.365 12.155 ( -8.437 -5.032 -0.057) 9.824 12.364 ( -2.834 0.968 -0.387) 3.019 12.421 ( -4.465 -1.852 -0.913) 4.920 12.682 ( -19.112 1.553 -0.119) 19.175 12.707 ( -16.682 0.197 -3.360) 17.018 13.037 ( -20.649 1.177 -0.014) 20.682 13.078 ( -20.584 -0.614 -2.013) 20.691 13.930 ( 14.079 0.348 0.277) 14.086 13.943 ( 13.625 -0.221 0.340) 13.631 14.537 ( -13.804 0.896 -0.630) 13.847 14.577 ( -15.211 -0.808 -0.983) 15.264 17.333 ( 25.489 1.531 -2.107) 25.622 17.424 ( 24.039 -2.401 -5.151) 24.702 18.192 ( -19.332 0.579 -1.072) 19.370 18.221 ( -17.440 -0.678 -1.775) 17.544 19.522 ( 34.855 3.212 0.737) 35.011 19.658 ( 32.250 -2.643 -0.159) 32.359 20.818 ( -26.433 1.550 0.551) 26.484 20.887 ( -25.460 -1.384 -0.355) 25.500 22.597 ( 8.607 1.152 1.028) 8.744 22.646 ( 9.223 -0.587 0.397) 9.250 22.899 ( -1.867 1.221 1.457) 2.664 22.977 ( -3.390 -1.893 1.697) 4.237 27.554 ( 2.977 0.220 -0.161) 2.989 27.564 ( 3.126 -0.197 -0.086) 3.133 27.750 ( -6.385 0.485 0.288) 6.410 27.771 ( -6.903 -0.409 -0.049) 6.916 29.704 ( 12.328 0.133 -0.558) 12.342 29.712 ( 10.452 -0.180 -0.270) 10.457 29.988 ( 4.408 1.867 -0.289) 4.796 30.079 ( 1.634 -2.465 -0.151) 2.961 30.271 ( 16.013 5.421 -2.545) 17.096 30.529 ( 10.483 -6.279 -4.520) 13.029 30.708 ( 7.310 2.422 -5.532) 9.482 30.783 ( 5.701 -1.389 -2.276) 6.294 30.991 ( 1.066 1.877 4.581) 5.064 31.145 ( -1.163 -5.774 6.454) 8.738 31.392 ( -11.952 -0.112 2.094) 12.134 31.403 ( -12.671 -0.300 2.790) 12.977 32.079 ( -0.978 6.730 -0.271) 6.806 32.209 ( -4.598 -0.497 -0.709) 4.679 32.313 ( -7.278 0.766 -0.877) 7.371 32.403 ( -14.462 -2.328 -2.186) 14.811 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -5.250 -10.573 0.540) 11.817 1.960 ( 2.096 -11.609 3.140) 12.208 2.272 ( -0.286 1.948 2.693) 3.336 2.351 ( -0.515 -0.746 2.120) 2.306 2.376 ( -1.963 2.906 1.368) 3.765 2.478 ( 0.565 6.417 2.278) 6.833 2.524 ( -2.120 0.306 -4.814) 5.269 2.675 ( 0.851 -5.392 2.388) 5.958 2.867 ( 0.125 2.539 0.020) 2.542 2.938 ( 4.485 -1.977 -2.191) 5.369 3.123 ( -2.190 -0.565 -4.341) 4.895 3.214 ( -2.503 -1.229 -0.769) 2.893 3.268 ( 0.300 2.767 -4.640) 5.411 3.414 ( 0.114 5.212 2.909) 5.970 3.418 ( -5.390 7.280 1.768) 9.229 3.551 ( -6.023 -4.510 -2.867) 8.052 3.631 ( 2.823 -0.672 -0.657) 2.975 3.714 ( -0.655 2.195 -3.132) 3.880 3.805 ( -4.296 -2.930 -2.851) 5.930 3.871 ( -2.952 -0.034 -2.952) 4.175 3.951 ( 5.065 2.431 1.496) 5.814 4.057 ( 1.798 0.122 -7.135) 7.359 4.158 ( -2.553 2.353 -1.124) 3.649 4.263 ( 2.690 -5.081 2.611) 6.314 4.676 ( -0.383 12.026 0.501) 12.043 4.822 ( 9.456 3.954 10.017) 14.331 4.890 ( 7.762 -0.448 12.357) 14.600 5.105 ( 0.443 -5.061 -0.421) 5.098 5.267 ( 1.232 2.682 -2.657) 3.971 5.311 ( 3.703 1.314 -2.895) 4.880 5.597 ( -1.825 -0.158 -1.862) 2.613 5.647 ( -3.328 -4.167 -0.267) 5.339 5.761 ( -2.835 0.917 -1.925) 3.547 5.854 ( 3.258 -7.389 -0.841) 8.119 5.973 ( -1.241 2.710 -4.190) 5.142 6.112 ( -0.380 5.494 0.414) 5.523 6.204 ( 6.229 -5.895 -5.401) 10.135 6.347 ( -3.564 -1.777 -1.078) 4.126 6.477 ( 1.324 -1.265 3.916) 4.323 6.666 ( 2.809 -1.935 4.347) 5.526 6.789 ( -1.509 -7.614 2.037) 8.025 6.882 ( -4.487 -4.949 4.111) 7.844 7.179 ( 1.403 3.757 0.948) 4.121 7.237 ( -5.774 3.511 3.142) 7.453 7.652 ( -1.049 3.496 -2.473) 4.409 7.760 ( -6.023 -1.486 -3.794) 7.272 8.013 ( 3.673 4.740 3.201) 6.797 8.053 ( 1.018 3.591 -0.207) 3.738 8.832 ( 2.201 1.677 -1.666) 3.230 8.940 ( 6.115 -3.192 -3.775) 7.863 9.247 ( -4.074 0.300 -3.376) 5.300 9.257 ( -6.095 -0.113 -3.492) 7.025 9.606 ( 2.215 0.497 -1.987) 3.017 9.680 ( 1.523 -3.339 -0.892) 3.777 9.782 ( -2.441 1.397 -0.295) 2.828 9.817 ( -4.799 -0.485 0.388) 4.839 10.750 ( 1.990 0.339 0.027) 2.019 10.792 ( -6.924 -1.936 0.886) 7.244 10.869 ( -0.133 1.998 -0.576) 2.084 10.900 ( 11.044 0.282 -1.918) 11.213 11.055 ( 3.370 1.534 2.205) 4.309 11.107 ( 1.667 -0.351 2.268) 2.837 11.326 ( -0.237 0.584 11.434) 11.452 11.365 ( -3.063 -0.798 10.364) 10.837 12.103 ( 4.997 -1.817 -0.321) 5.327 12.149 ( -4.670 -4.435 0.619) 6.470 12.352 ( -2.448 3.054 -1.935) 4.366 12.394 ( -3.318 -0.196 -2.056) 3.908 12.420 ( -0.868 1.600 -1.004) 2.079 12.491 ( 3.826 -0.675 -1.907) 4.328 12.757 ( -1.635 1.999 -2.199) 3.392 12.836 ( 1.808 -1.429 -1.793) 2.920 14.185 ( -3.784 0.237 0.064) 3.792 14.196 ( -2.856 -0.225 -0.035) 2.865 14.301 ( 3.681 0.284 -0.396) 3.713 14.308 ( 2.700 0.020 -0.733) 2.798 17.763 ( -9.838 1.232 -2.445) 10.212 17.816 ( 9.141 1.272 -1.457) 9.343 17.828 ( -4.904 -1.564 -3.334) 6.133 17.885 ( 5.465 -1.707 -2.664) 6.315 20.179 ( -5.294 2.775 0.459) 5.994 20.243 ( 4.508 1.667 0.765) 4.867 20.295 ( -21.813 -2.016 -0.772) 21.920 20.314 ( 20.930 -1.461 0.075) 20.981 22.737 ( -0.256 0.229 1.719) 1.753 22.792 ( -2.197 -2.193 1.358) 3.388 22.842 ( 3.212 1.692 0.741) 3.705 22.885 ( -0.157 -0.103 -0.436) 0.474 27.632 ( 1.374 0.471 0.168) 1.462 27.637 ( -1.323 0.099 -0.092) 1.330 27.641 ( -1.509 -0.091 -0.209) 1.526 27.652 ( 1.445 -0.418 -0.035) 1.505 29.810 ( -2.181 0.547 -1.985) 2.999 29.840 ( -1.744 -0.751 -2.278) 2.966 30.024 ( 1.056 0.854 0.478) 1.440 30.065 ( 0.738 -0.915 0.092) 1.179 30.557 ( 6.683 2.851 -0.621) 7.292 30.601 ( -4.057 1.734 0.832) 4.489 30.786 ( 2.507 -2.095 -4.984) 5.959 30.857 ( -2.152 -4.416 -3.835) 6.232 31.062 ( 0.836 1.770 3.084) 3.653 31.131 ( -0.667 -1.362 3.709) 4.007 31.186 ( -0.991 1.476 2.306) 2.912 31.251 ( 0.147 -1.664 3.849) 4.196 32.147 ( -4.096 0.098 -0.724) 4.161 32.152 ( 3.285 -0.205 -0.785) 3.383 32.192 ( 2.091 1.868 -0.660) 2.880 32.229 ( -0.527 0.161 -1.176) 1.299 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -5.541 -6.555 -1.117) 8.655 2.032 ( 3.896 -14.415 2.992) 15.229 2.228 ( -5.368 8.982 -4.698) 11.470 2.292 ( -5.450 -0.171 3.406) 6.429 2.363 ( 0.185 0.122 0.585) 0.626 2.452 ( -2.823 0.671 -3.540) 4.577 2.514 ( -0.413 1.689 1.056) 2.034 2.684 ( -0.010 -1.619 2.626) 3.085 2.787 ( -7.406 2.391 -2.256) 8.103 2.891 ( -12.653 -2.396 -6.134) 14.264 3.044 ( 3.187 -0.485 1.056) 3.392 3.107 ( -1.407 -2.714 -1.167) 3.273 3.183 ( -13.885 9.397 -2.175) 16.907 3.343 ( 0.911 2.675 -5.945) 6.582 3.381 ( -1.066 0.622 -0.951) 1.558 3.534 ( -1.009 -0.115 -0.567) 1.163 3.616 ( -6.269 -4.016 -0.597) 7.469 3.683 ( 5.100 -0.225 1.702) 5.381 3.742 ( 3.019 2.514 -2.818) 4.835 3.918 ( 3.248 2.252 0.746) 4.022 4.032 ( 2.773 0.992 1.968) 3.542 4.124 ( 0.339 3.362 3.793) 5.080 4.167 ( 4.631 -3.957 -2.405) 6.549 4.349 ( 2.010 -4.973 1.334) 5.527 4.690 ( 2.223 12.673 -0.684) 12.885 5.027 ( 2.063 1.873 2.231) 3.570 5.097 ( 12.890 -2.272 11.720) 17.569 5.108 ( -0.036 -4.448 1.516) 4.700 5.250 ( 0.320 -0.858 0.300) 0.963 5.370 ( 1.100 -0.298 1.930) 2.241 5.478 ( -5.194 -2.912 -2.219) 6.354 5.601 ( -2.595 -1.956 -2.667) 4.204 5.764 ( 2.504 2.727 -3.093) 4.824 5.893 ( -4.591 6.045 -0.822) 7.635 5.942 ( -0.384 3.534 1.103) 3.722 6.082 ( 0.748 -3.571 -1.483) 3.938 6.225 ( -4.163 -5.278 -0.912) 6.784 6.290 ( -5.459 -8.575 -0.536) 10.179 6.502 ( 0.038 1.827 2.180) 2.844 6.560 ( -8.309 6.090 3.835) 10.992 6.712 ( -4.166 -6.965 1.079) 8.187 6.848 ( -1.492 -11.064 0.611) 11.181 7.116 ( -5.410 7.597 1.810) 9.501 7.224 ( 1.941 0.738 -0.338) 2.104 7.536 ( -13.432 1.674 -3.267) 13.924 7.560 ( -7.257 0.745 -4.890) 8.782 8.009 ( -1.213 6.205 1.773) 6.566 8.117 ( 1.835 0.798 2.201) 2.975 8.726 ( -10.577 3.009 0.456) 11.006 8.873 ( -13.370 -3.028 0.899) 13.739 9.152 ( -5.118 -0.110 -8.010) 9.506 9.169 ( -2.308 -0.660 -8.149) 8.496 9.429 ( -13.556 1.769 0.680) 13.688 9.522 ( -13.384 -2.716 0.266) 13.660 9.814 ( 5.316 -0.001 0.231) 5.321 9.835 ( 3.331 -0.855 -0.419) 3.464 10.286 ( -22.462 0.951 0.052) 22.483 10.318 ( -22.719 -0.371 -2.292) 22.837 10.753 ( -10.486 0.331 4.220) 11.308 10.764 ( -12.411 0.333 5.149) 13.441 11.513 ( 19.670 2.107 5.087) 20.426 11.542 ( 14.022 1.606 1.400) 14.182 11.603 ( 11.196 -2.490 3.229) 11.915 11.647 ( 19.741 -1.604 7.809) 21.290 12.052 ( 8.160 -0.550 2.045) 8.430 12.102 ( 7.032 -2.614 -2.419) 7.882 12.314 ( 1.864 0.100 -3.556) 4.016 12.319 ( 1.643 0.081 -4.023) 4.346 12.654 ( 18.221 3.645 -1.321) 18.629 12.783 ( 18.231 -2.408 -0.173) 18.391 12.987 ( 19.115 2.981 -2.481) 19.505 13.105 ( 20.189 -2.294 -0.787) 20.334 13.910 ( -13.880 0.207 -0.446) 13.888 13.919 ( -13.021 -0.110 -0.650) 13.038 14.561 ( 13.570 0.796 0.342) 13.597 14.592 ( 15.033 -0.508 -0.571) 15.052 17.296 ( -25.793 2.194 -3.647) 26.142 17.428 ( -22.177 -3.585 -5.026) 23.021 18.197 ( 18.251 0.821 -0.931) 18.293 18.238 ( 17.165 -0.937 -1.035) 17.222 19.501 ( -35.198 3.279 -0.069) 35.351 19.614 ( -34.175 -1.723 -1.494) 34.251 20.816 ( 25.906 1.597 0.472) 25.960 20.887 ( 25.108 -1.454 -0.292) 25.151 22.592 ( -8.896 -0.070 0.803) 8.932 22.633 ( -9.613 -2.166 -0.377) 9.862 22.934 ( 2.906 2.046 2.317) 4.243 22.986 ( 3.782 -0.498 2.580) 4.605 27.556 ( -2.936 0.076 -0.041) 2.937 27.559 ( -3.169 -0.054 -0.305) 3.184 27.750 ( 6.454 0.556 0.266) 6.484 27.774 ( 6.987 -0.488 0.084) 7.005 29.651 ( -11.675 0.144 -2.491) 11.939 29.662 ( -12.980 -0.309 -2.020) 13.140 29.999 ( -5.783 1.289 0.546) 5.950 30.078 ( -2.888 -2.756 -0.404) 4.012 30.314 ( -15.442 6.641 -1.611) 16.886 30.589 ( -8.987 -5.175 -1.740) 10.515 30.731 ( -6.491 -0.342 -7.021) 9.568 30.767 ( -4.513 -1.229 -1.767) 5.000 30.991 ( -1.271 3.339 4.503) 5.748 31.178 ( 5.342 -6.101 9.877) 12.780 31.367 ( 11.914 0.471 1.159) 11.980 31.386 ( 9.256 -0.443 0.977) 9.318 32.086 ( 1.563 5.994 0.223) 6.198 32.201 ( 3.895 -0.723 -1.445) 4.217 32.304 ( 7.289 2.012 -1.183) 7.653 32.439 ( 15.906 -2.865 -0.668) 16.176 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -13.267 0.174 -1.461) 13.349 1.932 ( -15.372 2.974 -4.241) 16.221 2.109 ( -14.214 -2.407 -2.253) 14.592 2.142 ( -3.179 -7.666 0.437) 8.311 2.286 ( -2.697 -1.691 1.629) 3.576 2.423 ( 1.896 -2.486 -0.750) 3.215 2.508 ( -0.738 8.128 1.070) 8.231 2.662 ( -0.185 -0.188 0.726) 0.772 2.682 ( -3.544 -1.028 -5.203) 6.379 2.765 ( -0.420 3.704 2.365) 4.415 2.918 ( -7.632 7.126 -5.855) 11.971 3.062 ( -2.648 1.930 2.093) 3.888 3.174 ( 5.582 -2.232 -0.065) 6.012 3.317 ( -2.180 -4.365 -2.005) 5.275 3.372 ( 0.889 -0.262 -4.200) 4.301 3.501 ( -4.051 -2.519 -1.782) 5.092 3.607 ( 5.404 2.501 -1.707) 6.195 3.758 ( 1.261 9.691 4.163) 10.622 3.855 ( 6.683 -2.925 -1.456) 7.439 3.948 ( -0.537 -3.969 3.966) 5.637 4.057 ( -1.145 -1.051 2.005) 2.537 4.117 ( -1.420 3.177 0.816) 3.574 4.196 ( -4.602 -4.693 1.710) 6.792 4.309 ( -2.399 -3.832 -0.012) 4.521 4.745 ( 0.481 3.194 -3.754) 4.952 4.876 ( -14.507 0.099 -2.031) 14.649 5.110 ( 0.845 1.090 2.849) 3.166 5.187 ( -2.101 -3.151 4.891) 6.186 5.327 ( -3.293 -2.006 4.574) 5.983 5.377 ( -3.549 1.024 1.080) 3.848 5.466 ( 2.738 0.312 4.196) 5.020 5.538 ( -0.235 -1.739 -1.789) 2.506 5.673 ( -6.310 4.165 2.051) 7.834 5.825 ( -7.038 3.503 -0.258) 7.866 5.880 ( -1.023 1.233 -5.800) 6.017 6.084 ( -2.166 -2.390 6.266) 7.047 6.137 ( 0.321 -6.282 0.063) 6.290 6.197 ( -0.530 -6.672 -3.976) 7.785 6.400 ( -5.005 7.370 -0.340) 8.915 6.534 ( -0.360 0.377 -1.404) 1.498 6.681 ( -5.513 -4.686 4.240) 8.387 6.707 ( -7.104 -7.686 -2.890) 10.858 6.937 ( -12.846 9.439 0.277) 15.943 7.135 ( -10.098 5.049 -2.852) 11.644 7.376 ( 0.107 -3.329 1.441) 3.629 7.481 ( 2.406 -1.466 -3.260) 4.309 7.980 ( -2.011 5.584 2.312) 6.369 8.102 ( -3.366 -0.576 1.648) 3.792 8.507 ( -8.526 1.943 2.039) 8.980 8.546 ( -14.969 -0.375 1.831) 15.085 8.941 ( -12.739 3.289 -6.372) 14.619 9.093 ( -6.381 -3.858 -4.970) 8.961 9.230 ( -6.202 1.129 -1.264) 6.429 9.307 ( -6.436 -2.627 -1.935) 7.216 9.893 ( -0.622 -0.529 -1.393) 1.615 9.894 ( 0.754 -0.631 -0.150) 0.995 9.946 ( -10.722 0.999 1.248) 10.840 9.966 ( -9.769 -0.041 0.007) 9.770 10.543 ( -6.417 1.136 5.437) 8.487 10.582 ( -5.706 -0.629 5.262) 7.787 11.475 ( -9.591 -0.113 -1.354) 9.686 11.519 ( -9.335 -1.966 -0.451) 9.550 11.927 ( 13.872 1.408 6.558) 15.409 11.972 ( 8.492 0.846 7.543) 11.390 12.186 ( 5.049 1.030 -4.699) 6.974 12.333 ( 15.672 -4.643 -7.929) 18.167 12.732 ( 29.632 0.314 0.803) 29.645 12.750 ( 29.485 -0.484 0.525) 29.494 13.016 ( 17.061 4.331 -2.569) 17.789 13.138 ( 13.686 -1.429 -0.020) 13.761 13.260 ( 0.451 2.249 -1.979) 3.030 13.385 ( 2.493 -3.052 -0.851) 4.032 13.873 ( 15.327 0.549 -0.417) 15.342 13.891 ( 19.216 -0.254 -0.148) 19.218 14.825 ( 12.084 1.336 0.295) 12.161 14.885 ( 13.390 -1.183 -1.133) 13.490 16.704 ( -31.556 2.902 -4.335) 31.984 16.916 ( -27.788 -6.743 -7.108) 29.464 18.503 ( 1.250 0.669 -0.219) 1.435 18.516 ( 1.664 -0.029 0.664) 1.792 18.854 ( -16.349 4.339 -1.122) 16.952 18.992 ( -16.813 -1.926 -3.810) 17.346 21.270 ( 18.043 1.266 0.091) 18.087 21.328 ( 17.524 -1.199 -0.429) 17.570 22.426 ( -7.123 -0.973 -0.133) 7.190 22.448 ( -7.535 -1.727 0.308) 7.737 22.910 ( -5.978 2.647 3.960) 7.644 22.986 ( -4.436 -0.878 5.385) 7.032 27.512 ( -1.436 0.002 -0.120) 1.441 27.512 ( -1.471 -0.001 -0.291) 1.499 27.895 ( 7.507 0.861 0.580) 7.579 27.930 ( 7.975 -0.659 0.295) 8.008 29.358 ( -15.695 0.127 -1.439) 15.761 29.367 ( -15.155 -0.239 -2.597) 15.377 29.676 ( -24.895 3.831 -1.404) 25.227 29.869 ( -15.332 -4.688 0.052) 16.033 30.113 ( -6.694 4.449 -2.081) 8.303 30.349 ( -11.950 -7.527 -9.807) 17.194 30.564 ( -8.896 3.734 -5.970) 11.346 30.648 ( -5.853 -1.056 -1.833) 6.224 31.016 ( 2.067 3.462 6.594) 7.729 31.326 ( 7.638 -13.660 14.612) 21.411 31.570 ( 8.389 0.792 -0.598) 8.448 31.611 ( 11.405 -0.847 1.004) 11.481 32.216 ( 10.712 10.595 1.762) 15.169 32.324 ( 7.865 0.110 -1.370) 7.984 32.493 ( 10.635 5.660 -1.161) 12.103 32.800 ( 18.692 -5.049 -1.402) 19.412 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -21.733 10.233 -0.223) 24.023 1.573 ( -21.246 12.571 7.419) 25.777 1.759 ( -13.872 -7.657 -1.585) 15.924 2.029 ( -9.998 -3.076 5.151) 11.660 2.247 ( -5.712 0.348 3.389) 6.650 2.466 ( 0.945 1.619 1.026) 2.137 2.533 ( 4.715 -3.104 2.247) 6.076 2.615 ( -1.351 -0.414 -2.371) 2.760 2.628 ( -6.949 -0.235 0.188) 6.955 2.720 ( -2.865 6.584 -1.911) 7.430 2.912 ( 3.938 5.895 -4.117) 8.198 3.025 ( 0.804 -2.954 4.438) 5.392 3.214 ( -4.691 -7.825 -2.416) 9.438 3.281 ( -4.259 -3.908 -1.068) 5.878 3.354 ( -8.218 1.404 0.577) 8.357 3.401 ( 1.527 0.396 -4.310) 4.589 3.679 ( 1.316 -0.651 -3.948) 4.212 3.805 ( -13.338 -2.779 2.905) 13.931 3.836 ( 5.716 5.094 -5.707) 9.550 3.941 ( -1.864 4.564 5.412) 7.320 4.018 ( -4.991 2.007 -0.371) 5.393 4.025 ( 2.396 -4.069 -2.989) 5.589 4.129 ( -1.529 -2.255 -6.612) 7.151 4.284 ( 0.272 -5.058 0.143) 5.068 4.524 ( -14.703 -3.351 2.203) 15.240 4.682 ( -7.809 -9.874 -2.539) 12.842 5.014 ( -12.238 3.952 -1.315) 12.927 5.137 ( 0.924 5.797 1.345) 6.023 5.140 ( -14.036 1.651 0.605) 14.145 5.252 ( 2.109 4.877 3.854) 6.564 5.484 ( 1.026 -0.415 4.752) 4.879 5.615 ( -1.357 3.495 3.523) 5.144 5.635 ( 1.794 -7.942 1.184) 8.228 5.756 ( 1.287 -1.005 -2.225) 2.760 5.840 ( -4.617 1.441 -3.560) 6.006 6.081 ( -4.895 -6.719 0.796) 8.351 6.135 ( 2.904 -3.016 3.896) 5.719 6.175 ( -1.437 -4.680 -3.989) 6.315 6.307 ( -12.491 4.630 -2.642) 13.581 6.387 ( 2.233 6.500 2.328) 7.257 6.544 ( -7.146 -0.208 3.496) 7.959 6.618 ( -2.786 -7.017 -0.509) 7.567 6.838 ( 4.217 8.472 1.290) 9.551 6.992 ( -4.251 6.973 -3.008) 8.703 7.422 ( 4.125 -1.353 3.602) 5.641 7.591 ( 5.842 -5.572 -0.461) 8.086 7.922 ( -3.935 3.823 0.772) 5.540 8.013 ( -4.113 -0.346 -0.616) 4.173 8.318 ( -7.403 2.748 4.164) 8.927 8.401 ( -2.897 0.140 1.608) 3.316 8.712 ( -8.059 4.630 -0.120) 9.295 8.921 ( -9.407 -5.262 -1.457) 10.877 9.115 ( -5.487 1.687 -3.724) 6.843 9.235 ( -0.874 -4.338 -5.052) 6.716 9.735 ( -7.894 1.287 1.993) 8.243 9.773 ( -5.186 0.364 0.489) 5.221 9.889 ( -4.054 -0.181 2.974) 5.031 9.928 ( 0.727 -1.492 1.812) 2.457 10.524 ( 3.010 1.025 2.762) 4.211 10.555 ( 2.344 -0.317 2.861) 3.712 11.304 ( -5.475 0.024 -1.802) 5.764 11.358 ( -5.167 -2.044 -1.836) 5.852 11.987 ( -2.028 1.314 1.488) 2.837 12.048 ( -1.156 -0.904 1.898) 2.399 12.433 ( 14.260 4.372 -1.236) 14.966 12.652 ( 9.670 -4.754 -5.643) 12.164 12.895 ( -12.818 0.709 -1.674) 12.946 12.949 ( -7.351 -2.872 -1.095) 7.968 13.367 ( 18.256 5.243 -2.926) 19.218 13.466 ( 24.342 -0.662 0.778) 24.363 13.499 ( 24.395 2.813 0.567) 24.563 13.680 ( 22.789 -4.300 -1.770) 23.258 14.353 ( 24.944 1.292 -0.822) 24.991 14.411 ( 25.638 -1.131 -0.189) 25.664 15.055 ( 10.122 1.331 0.037) 10.209 15.133 ( 10.588 -1.955 -1.880) 10.930 16.025 ( -32.704 2.145 -3.606) 32.972 16.268 ( -35.020 -10.443 -9.256) 37.698 18.006 ( -30.631 4.182 -1.035) 30.932 18.065 ( -30.657 0.382 -4.147) 30.938 19.111 ( 22.774 1.931 -0.322) 22.858 19.198 ( 22.917 -1.851 -0.662) 23.001 21.553 ( 9.613 1.061 -0.155) 9.672 21.602 ( 9.157 -1.015 -0.431) 9.224 22.294 ( -5.157 -0.749 -0.337) 5.222 22.355 ( -1.799 -1.392 1.675) 2.825 22.686 ( -15.569 3.391 4.593) 16.583 22.806 ( -12.873 -1.871 8.248) 15.403 27.494 ( -0.390 -0.004 -0.280) 0.480 27.494 ( -0.396 -0.007 -0.121) 0.414 28.052 ( 7.524 1.060 0.734) 7.634 28.091 ( 7.342 -0.660 0.453) 7.386 29.023 ( -21.520 1.966 -4.360) 22.045 29.050 ( -14.177 0.348 -1.682) 14.281 29.123 ( -22.341 2.523 0.770) 22.497 29.459 ( -24.842 -13.385 -4.365) 28.555 29.932 ( -11.440 6.342 -6.481) 14.598 30.111 ( -10.264 -3.588 -10.624) 15.202 30.394 ( -6.779 4.814 -6.142) 10.337 30.551 ( -3.307 -2.427 -3.359) 5.302 31.060 ( 1.755 3.523 7.934) 8.857 31.472 ( 5.171 -22.045 17.566) 28.658 31.729 ( 7.044 1.302 -0.795) 7.207 31.826 ( 9.195 -2.349 1.515) 9.610 32.479 ( 10.234 4.234 1.609) 11.192 32.533 ( 15.141 5.380 2.258) 16.226 32.736 ( 14.113 16.245 -1.671) 21.584 33.185 ( 18.294 -4.240 -2.431) 18.936 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -15.030 17.467 11.992) 25.977 1.135 ( -17.469 22.377 13.419) 31.400 1.493 ( -18.506 -5.489 8.725) 21.183 1.676 ( -17.959 13.914 16.579) 28.124 2.029 ( -15.764 -17.244 9.770) 25.324 2.451 ( -3.308 2.918 1.552) 4.677 2.501 ( -1.725 0.796 -1.989) 2.750 2.591 ( 1.234 -2.856 1.692) 3.541 2.634 ( -3.956 8.136 -1.229) 9.130 2.692 ( 5.925 -1.083 4.014) 7.238 2.920 ( -8.556 3.532 -2.563) 9.605 2.986 ( -0.042 -8.308 -2.992) 8.830 3.057 ( -11.244 -7.810 -2.396) 13.898 3.135 ( 3.083 -1.083 5.152) 6.101 3.286 ( -2.161 0.273 -3.203) 3.874 3.442 ( -5.165 -6.317 -5.743) 9.978 3.522 ( -3.506 3.162 -0.279) 4.730 3.730 ( -0.895 -2.913 -7.934) 8.499 3.826 ( -6.066 4.374 -6.414) 9.852 3.885 ( -1.757 -0.435 -10.994) 11.142 3.949 ( -1.631 0.277 -2.642) 3.118 4.024 ( -1.179 -3.420 -1.833) 4.055 4.195 ( 8.996 4.858 -3.216) 10.718 4.321 ( 1.724 -1.143 -2.308) 3.099 4.404 ( 3.160 -4.436 -3.417) 6.430 4.541 ( -2.834 -6.518 -4.634) 8.485 4.850 ( -3.961 1.851 3.413) 5.547 4.946 ( -6.105 -2.332 7.837) 10.205 5.138 ( -1.726 6.299 -1.268) 6.654 5.303 ( 1.453 4.335 3.096) 5.522 5.489 ( -0.867 -0.690 6.095) 6.194 5.569 ( -3.606 2.320 3.204) 5.353 5.589 ( -8.624 -7.383 -0.833) 11.383 5.699 ( -1.277 -1.636 0.648) 2.174 5.822 ( 2.336 3.626 -3.724) 5.698 5.970 ( -4.187 -2.540 -4.862) 6.901 6.117 ( -0.017 -1.553 -5.593) 5.805 6.160 ( -0.331 -2.337 0.233) 2.372 6.258 ( 1.502 -2.699 3.661) 4.789 6.386 ( -4.257 -3.028 0.585) 5.257 6.519 ( 7.813 5.196 11.842) 15.108 6.599 ( -0.371 -1.653 9.058) 9.215 6.929 ( -1.367 9.146 -3.185) 9.781 6.985 ( 9.152 6.672 3.017) 11.721 7.537 ( 5.938 0.242 1.802) 6.210 7.665 ( 0.293 -6.449 -0.159) 6.457 7.815 ( -6.392 1.845 0.695) 6.690 7.944 ( -2.960 -2.553 0.458) 3.936 8.218 ( -3.399 4.198 0.182) 5.405 8.355 ( -1.486 -0.587 -1.694) 2.329 8.624 ( -2.192 1.544 4.475) 5.216 8.754 ( -4.894 -3.157 -0.292) 5.831 9.014 ( -3.219 3.801 -1.166) 5.115 9.259 ( 3.300 -6.339 -4.347) 8.365 9.605 ( -4.347 1.960 3.510) 5.921 9.702 ( -2.082 -1.953 4.672) 5.475 9.823 ( -1.779 2.600 2.121) 3.798 9.942 ( 0.237 -2.443 3.151) 3.994 10.590 ( 2.221 1.241 0.411) 2.577 10.631 ( 3.617 -0.139 0.172) 3.623 11.273 ( 1.937 -0.084 -1.271) 2.318 11.320 ( 1.040 -1.605 -2.094) 2.836 11.912 ( -4.404 1.934 -1.955) 5.192 12.001 ( -2.636 -1.289 -1.946) 3.521 12.556 ( -10.262 0.940 -0.473) 10.315 12.577 ( -8.957 0.188 -0.181) 8.960 12.695 ( 4.922 5.602 -0.300) 7.463 12.957 ( 1.708 -7.444 -5.364) 9.333 13.677 ( 10.972 7.607 -3.971) 13.929 13.881 ( 13.972 -1.611 0.665) 14.080 13.934 ( 15.416 1.982 -0.272) 15.545 14.147 ( 17.686 -9.117 -7.145) 21.142 14.769 ( 13.547 0.891 -0.952) 13.609 14.832 ( 12.348 -2.278 -0.783) 12.581 15.198 ( 0.365 0.472 -0.521) 0.792 15.279 ( -1.299 -4.442 -3.840) 6.014 15.493 ( -14.811 -0.714 -1.699) 14.925 15.541 ( -23.505 -3.405 -4.157) 24.111 17.446 ( -21.641 3.875 -1.011) 22.009 17.470 ( -25.256 1.382 -6.026) 26.002 19.596 ( 22.265 2.744 0.621) 22.442 19.720 ( 25.566 -3.484 1.780) 25.864 21.671 ( 2.105 0.724 -0.424) 2.266 21.705 ( 0.930 -0.789 -0.338) 1.265 22.222 ( -3.026 3.022 2.295) 4.853 22.304 ( -11.523 5.601 0.140) 12.813 22.389 ( -2.123 -3.285 3.932) 5.546 22.522 ( -12.637 -5.931 9.732) 17.018 27.491 ( 0.040 0.006 -0.225) 0.229 27.492 ( 0.101 -0.010 -0.164) 0.193 28.190 ( 5.384 0.852 0.488) 5.473 28.216 ( 4.403 -0.347 0.331) 4.429 28.482 ( -23.192 2.603 -1.722) 23.401 28.751 ( -28.664 -11.166 -12.033) 33.032 28.847 ( -9.659 -1.092 0.495) 9.733 28.881 ( -15.624 -4.737 -1.381) 16.385 29.667 ( -11.747 15.528 -8.416) 21.212 29.938 ( -6.135 -2.000 -3.503) 7.342 30.288 ( -3.303 4.366 -6.716) 8.664 30.509 ( -0.631 -4.505 -5.420) 7.076 31.089 ( 0.599 3.137 8.203) 8.803 31.536 ( -0.006 -27.688 18.726) 33.425 31.853 ( 4.763 0.779 0.359) 4.839 31.983 ( 5.786 -3.330 2.474) 7.119 32.636 ( 5.593 2.962 0.765) 6.375 32.784 ( 6.768 -3.464 0.197) 7.605 33.195 ( 29.813 26.940 -2.488) 40.259 33.513 ( 12.555 0.315 -3.780) 13.115 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -2.973 -20.254 10.142) 22.845 1.022 ( -2.973 20.254 10.142) 22.845 1.330 ( -2.154 -22.716 16.623) 28.231 1.330 ( -2.154 22.716 16.623) 28.231 2.127 ( 1.361 -36.496 10.460) 37.990 2.127 ( 1.361 36.496 10.460) 37.990 2.536 ( 1.926 -2.620 0.808) 3.351 2.536 ( 1.926 2.620 0.808) 3.351 2.690 ( -6.210 -7.903 -2.449) 10.345 2.690 ( -6.210 7.903 -2.449) 10.345 2.863 ( 7.625 -0.549 0.928) 7.700 2.863 ( 7.625 0.549 0.928) 7.700 3.046 ( -0.175 -8.269 -1.592) 8.423 3.046 ( -0.175 8.269 -1.592) 8.423 3.311 ( 2.332 -3.963 -0.046) 4.598 3.311 ( 2.332 3.963 -0.046) 4.598 3.533 ( -6.184 -1.131 -4.489) 7.725 3.533 ( -6.184 1.131 -4.489) 7.725 3.836 ( 0.982 -1.869 -8.245) 8.511 3.836 ( 0.982 1.869 -8.245) 8.511 4.026 ( 5.548 -0.415 -7.423) 9.276 4.026 ( 5.548 0.415 -7.423) 9.276 4.367 ( 0.885 -3.217 -3.414) 4.773 4.367 ( 0.885 3.217 -3.414) 4.773 4.488 ( 1.348 -3.478 -4.735) 6.028 4.488 ( 1.348 3.478 -4.735) 6.028 4.794 ( -2.894 -3.115 4.106) 5.911 4.794 ( -2.894 3.115 4.106) 5.911 5.216 ( -2.214 -7.650 3.518) 8.706 5.216 ( -2.214 7.650 3.518) 8.706 5.417 ( -3.135 -3.769 4.344) 6.550 5.417 ( -3.135 3.769 4.344) 6.550 5.633 ( 0.232 -4.782 1.963) 5.174 5.633 ( 0.232 4.782 1.963) 5.174 5.916 ( 0.775 -2.134 -3.879) 4.495 5.916 ( 0.775 2.134 -3.879) 4.495 6.148 ( 2.783 -1.986 -2.273) 4.106 6.148 ( 2.783 1.986 -2.273) 4.106 6.293 ( 1.864 -2.536 -1.946) 3.701 6.293 ( 1.864 2.536 -1.946) 3.701 6.616 ( -1.663 -3.208 15.204) 15.628 6.616 ( -1.663 3.208 15.204) 15.628 7.095 ( 2.248 -6.434 1.075) 6.899 7.095 ( 2.248 6.434 1.075) 6.899 7.575 ( -1.681 -1.073 -1.083) 2.269 7.575 ( -1.681 1.073 -1.083) 2.269 7.779 ( -2.490 -7.064 0.817) 7.534 7.779 ( -2.490 7.064 0.817) 7.534 8.272 ( 1.063 -5.392 -2.444) 6.014 8.272 ( 1.063 5.392 -2.444) 6.014 8.624 ( -3.497 -5.163 -0.808) 6.288 8.624 ( -3.497 5.163 -0.808) 6.288 9.199 ( 5.428 -10.424 2.511) 12.018 9.199 ( 5.428 10.424 2.511) 12.018 9.633 ( 1.626 -3.159 4.415) 5.666 9.633 ( 1.626 3.159 4.415) 5.666 9.865 ( -1.657 -3.886 3.260) 5.336 9.865 ( -1.657 3.886 3.260) 5.336 10.631 ( -2.019 -1.860 -1.980) 3.384 10.631 ( -2.019 1.860 -1.980) 3.384 11.333 ( 1.434 -1.001 -1.093) 2.062 11.333 ( 1.434 1.001 -1.093) 2.062 11.896 ( -2.557 -3.094 -3.338) 5.220 11.896 ( -2.557 3.094 -3.338) 5.220 12.461 ( 1.489 -0.528 0.658) 1.711 12.461 ( 1.489 0.528 0.658) 1.711 12.906 ( 3.636 -2.930 -0.315) 4.680 12.906 ( 3.636 2.930 -0.315) 4.680 13.885 ( -1.652 -4.263 -4.328) 6.296 13.885 ( -1.652 4.263 -4.328) 6.296 14.132 ( -0.553 -1.557 -2.994) 3.419 14.132 ( -0.553 1.557 -2.994) 3.419 14.871 ( 0.084 -0.948 -0.104) 0.958 14.871 ( 0.084 0.948 -0.104) 0.958 15.167 ( -0.473 -0.759 -0.354) 0.962 15.167 ( -0.473 0.759 -0.354) 0.962 15.466 ( 0.211 -1.089 -0.155) 1.120 15.466 ( 0.211 1.089 -0.155) 1.120 17.220 ( 1.758 -3.482 -2.286) 4.521 17.220 ( 1.758 3.482 -2.286) 4.521 19.952 ( 0.438 -4.281 1.907) 4.707 19.952 ( 0.438 4.281 1.907) 4.707 21.676 ( -0.157 -0.233 -0.699) 0.754 21.676 ( -0.157 0.233 -0.699) 0.754 22.183 ( -2.270 -5.633 2.612) 6.611 22.183 ( -2.270 5.633 2.612) 6.611 22.366 ( 2.049 -3.897 4.265) 6.130 22.366 ( 2.049 3.897 4.265) 6.130 27.493 ( -0.002 -0.071 -0.170) 0.185 27.493 ( -0.002 0.071 -0.170) 0.185 28.226 ( 1.008 -0.285 -0.203) 1.067 28.226 ( 1.008 0.285 -0.203) 1.067 28.260 ( -0.218 -0.042 -0.015) 0.222 28.260 ( -0.218 0.042 -0.015) 0.222 28.773 ( 0.576 -0.895 0.655) 1.250 28.773 ( 0.576 0.895 0.655) 1.250 29.781 ( -0.155 -8.025 -1.884) 8.244 29.781 ( -0.155 8.025 -1.884) 8.244 30.370 ( 0.220 -8.352 -9.377) 12.559 30.370 ( 0.220 8.352 -9.377) 12.559 31.179 ( -2.370 -8.571 13.623) 16.269 31.179 ( -2.370 8.571 13.623) 16.269 31.981 ( 1.419 -4.565 0.272) 4.789 31.981 ( 1.419 4.565 0.272) 4.789 32.769 ( -0.188 -4.127 1.229) 4.310 32.769 ( -0.188 4.127 1.229) 4.310 33.699 ( -0.631 -1.580 -9.060) 9.218 33.699 ( -0.631 1.580 -9.060) 9.218 ======================= Grid point 77 (40/108) ======================= q-point: ( 0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 17.167 -19.514 6.469) 26.784 1.186 ( 17.167 19.514 6.469) 26.784 1.523 ( 14.525 -22.981 10.186) 29.033 1.523 ( 14.525 22.981 10.186) 29.033 2.303 ( 14.000 -19.265 9.423) 25.611 2.303 ( 14.000 19.265 9.423) 25.611 2.582 ( 2.048 -2.746 1.439) 3.716 2.582 ( 2.048 2.746 1.439) 3.716 2.635 ( 3.002 -10.801 0.945) 11.250 2.635 ( 3.002 10.801 0.945) 11.250 2.960 ( 0.282 -2.863 -0.778) 2.980 2.960 ( 0.282 2.863 -0.778) 2.980 3.111 ( 5.666 -8.484 -1.498) 10.311 3.111 ( 5.666 8.484 -1.498) 10.311 3.385 ( 0.545 -7.554 -1.365) 7.695 3.385 ( 0.545 7.554 -1.365) 7.695 3.472 ( 4.311 -7.396 -4.846) 9.837 3.472 ( 4.311 7.396 -4.846) 9.837 3.797 ( -3.619 -3.890 -4.584) 7.018 3.797 ( -3.619 3.890 -4.584) 7.018 4.119 ( 0.647 -2.302 -7.372) 7.750 4.119 ( 0.647 2.302 -7.372) 7.750 4.267 ( -7.700 -3.704 -2.521) 8.909 4.267 ( -7.700 3.704 -2.521) 8.909 4.588 ( 7.521 -4.713 4.087) 9.771 4.588 ( 7.521 4.713 4.087) 9.771 4.780 ( 5.715 -1.720 -2.426) 6.443 4.780 ( 5.715 1.720 -2.426) 6.443 5.233 ( 0.731 -5.606 3.190) 6.491 5.233 ( 0.731 5.606 3.190) 6.491 5.372 ( 0.511 -3.896 1.256) 4.126 5.372 ( 0.511 3.896 1.256) 4.126 5.632 ( -1.122 -4.179 0.644) 4.375 5.632 ( -1.122 4.179 0.644) 4.375 5.925 ( 0.380 -4.505 -0.916) 4.613 5.925 ( 0.380 4.505 -0.916) 4.613 6.218 ( 3.572 -5.257 -3.486) 7.249 6.218 ( 3.572 5.257 -3.486) 7.249 6.343 ( 3.042 -0.384 -0.954) 3.211 6.343 ( 3.042 0.384 -0.954) 3.211 6.558 ( -3.095 -0.710 12.051) 12.462 6.558 ( -3.095 0.710 12.051) 12.462 7.096 ( -2.046 -7.445 0.299) 7.727 7.096 ( -2.046 7.445 0.299) 7.727 7.524 ( -3.052 -7.283 2.046) 8.157 7.524 ( -3.052 7.283 2.046) 8.157 7.817 ( 6.292 -3.792 -0.860) 7.397 7.817 ( 6.292 3.792 -0.860) 7.397 8.280 ( -2.319 -6.285 -2.190) 7.048 8.280 ( -2.319 6.285 -2.190) 7.048 8.613 ( 4.664 -5.583 -1.750) 7.483 8.613 ( 4.664 5.583 -1.750) 7.483 9.290 ( 3.472 -8.870 4.097) 10.369 9.290 ( 3.472 8.870 4.097) 10.369 9.711 ( 5.955 -1.854 5.251) 8.153 9.711 ( 5.955 1.854 5.251) 8.153 9.844 ( -0.474 -1.802 1.670) 2.503 9.844 ( -0.474 1.802 1.670) 2.503 10.544 ( -5.729 -1.004 -2.375) 6.282 10.544 ( -5.729 1.004 -2.375) 6.282 11.344 ( 0.735 -0.992 0.067) 1.236 11.344 ( 0.735 0.992 0.067) 1.236 11.844 ( -2.167 -2.883 -4.468) 5.742 11.844 ( -2.167 2.883 -4.468) 5.742 12.629 ( 13.075 -0.673 1.062) 13.135 12.629 ( 13.075 0.673 1.062) 13.135 12.927 ( -3.051 -10.683 1.297) 11.186 12.927 ( -3.051 10.683 1.297) 11.186 13.781 ( -11.253 -2.153 -4.296) 12.236 13.781 ( -11.253 2.153 -4.296) 12.236 13.967 ( -15.834 -2.848 -3.578) 16.481 13.967 ( -15.834 2.848 -3.578) 16.481 14.799 ( -12.225 -0.476 -0.596) 12.249 14.799 ( -12.225 0.476 -0.596) 12.249 15.216 ( 2.475 -1.360 -1.225) 3.078 15.216 ( 2.475 1.360 -1.225) 3.078 15.487 ( 12.772 -1.024 -1.172) 12.867 15.487 ( 12.772 1.024 -1.172) 12.867 17.540 ( 25.594 -8.483 -2.451) 27.074 17.540 ( 25.594 8.483 -2.451) 27.074 19.664 ( -23.700 -1.480 1.425) 23.789 19.664 ( -23.700 1.480 1.425) 23.789 21.690 ( -1.057 -0.686 -0.615) 1.402 21.690 ( -1.057 0.686 -0.615) 1.402 22.299 ( 8.541 -2.036 3.031) 9.289 22.299 ( 8.541 2.036 3.031) 9.289 22.411 ( 5.938 -5.985 4.481) 9.548 22.411 ( 5.938 5.985 4.481) 9.548 27.492 ( -0.048 -0.131 -0.143) 0.200 27.492 ( -0.048 0.131 -0.143) 0.200 28.197 ( -5.119 -0.524 0.062) 5.146 28.197 ( -5.119 0.524 0.062) 5.146 28.603 ( 29.980 -8.902 -3.266) 31.443 28.603 ( 29.980 8.902 -3.266) 31.443 28.870 ( 8.686 -1.265 1.082) 8.844 28.870 ( 8.686 1.265 1.082) 8.844 29.852 ( 6.431 -5.617 -3.173) 9.109 29.852 ( 6.431 5.617 -3.173) 9.109 30.400 ( 3.147 -8.948 -9.346) 13.316 30.400 ( 3.147 8.948 -9.346) 13.316 31.124 ( -3.248 -6.361 12.432) 14.338 31.124 ( -3.248 6.361 12.432) 14.338 31.963 ( -3.213 -4.289 1.542) 5.576 31.963 ( -3.213 4.289 1.542) 5.576 32.702 ( -6.160 -1.658 1.281) 6.506 32.702 ( -6.160 1.658 1.281) 6.506 33.444 ( -20.383 -5.834 -6.260) 22.107 33.444 ( -20.383 5.834 -6.260) 22.107 ======================= Grid point 79 (41/108) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 21.866 -16.172 3.340) 27.401 1.621 ( 21.866 16.172 3.340) 27.401 1.760 ( 8.863 -19.252 4.803) 21.732 1.760 ( 8.863 19.252 4.803) 21.732 2.480 ( 2.590 -5.025 3.751) 6.785 2.480 ( 2.590 5.025 3.751) 6.785 2.623 ( 0.252 -0.730 -1.765) 1.927 2.623 ( 0.252 0.730 -1.765) 1.927 2.862 ( -5.594 -9.944 0.515) 11.421 2.862 ( -5.594 9.944 0.515) 11.421 2.917 ( 17.543 -13.425 4.829) 22.612 2.917 ( 17.543 13.425 4.829) 22.612 3.207 ( 0.952 -3.653 -0.475) 3.805 3.207 ( 0.952 3.653 -0.475) 3.805 3.432 ( 6.366 -5.369 0.038) 8.328 3.432 ( 6.366 5.369 0.038) 8.328 3.584 ( 4.339 -6.099 -5.286) 9.163 3.584 ( 4.339 6.099 -5.286) 9.163 3.777 ( 4.035 -5.160 -1.937) 6.831 3.777 ( 4.035 5.160 -1.937) 6.831 4.004 ( -7.961 -2.870 -4.571) 9.618 4.004 ( -7.961 2.870 -4.571) 9.618 4.208 ( 0.140 -2.036 -1.782) 2.709 4.208 ( 0.140 2.036 -1.782) 2.709 4.634 ( 2.723 -4.346 1.346) 5.302 4.634 ( 2.723 4.346 1.346) 5.302 5.084 ( 7.519 -5.615 -0.920) 9.429 5.084 ( 7.519 5.615 -0.920) 9.429 5.202 ( 2.872 -3.149 4.408) 6.132 5.202 ( 2.872 3.149 4.408) 6.132 5.451 ( 4.465 -2.315 -1.079) 5.144 5.451 ( 4.465 2.315 -1.079) 5.144 5.608 ( 1.813 -2.039 -1.171) 2.970 5.608 ( 1.813 2.039 -1.171) 2.970 5.942 ( 1.122 -4.487 -0.872) 4.707 5.942 ( 1.122 4.487 -0.872) 4.707 6.268 ( 1.866 -4.483 -1.997) 5.250 6.268 ( 1.866 4.483 -1.997) 5.250 6.391 ( 0.588 -3.160 3.354) 4.646 6.391 ( 0.588 3.160 3.354) 4.646 6.572 ( 4.950 -4.674 2.389) 7.215 6.572 ( 4.950 4.674 2.389) 7.215 7.051 ( -0.279 -11.419 1.536) 11.525 7.051 ( -0.279 11.419 1.536) 11.525 7.483 ( -0.743 -10.878 2.529) 11.193 7.483 ( -0.743 10.878 2.529) 11.193 7.990 ( 8.812 -1.663 -0.176) 8.969 7.990 ( 8.812 1.663 -0.176) 8.969 8.212 ( -1.438 -4.684 -1.528) 5.133 8.212 ( -1.438 4.684 -1.528) 5.133 8.788 ( 10.927 -4.426 -2.882) 12.136 8.788 ( 10.927 4.426 -2.882) 12.136 9.379 ( 5.225 -5.137 3.384) 8.071 9.379 ( 5.225 5.137 3.384) 8.071 9.836 ( 0.145 -0.664 0.175) 0.701 9.836 ( 0.145 0.664 0.175) 0.701 9.878 ( 9.251 -2.027 5.400) 10.902 9.878 ( 9.251 2.027 5.400) 10.902 10.417 ( -5.653 -0.399 -1.909) 5.980 10.417 ( -5.653 0.399 -1.909) 5.980 11.405 ( 5.558 -0.704 1.244) 5.739 11.405 ( 5.558 0.704 1.244) 5.739 11.802 ( -2.071 -2.415 -5.099) 6.010 11.802 ( -2.071 2.415 -5.099) 6.010 12.737 ( -11.275 -9.728 3.387) 15.271 12.737 ( -11.275 9.728 3.387) 15.271 12.956 ( 12.020 -0.227 0.319) 12.027 12.956 ( 12.020 0.227 0.319) 12.027 13.403 ( -23.602 -1.444 -2.292) 23.757 13.403 ( -23.602 1.444 -2.292) 23.757 13.552 ( -20.865 -2.130 -2.425) 21.113 13.552 ( -20.865 2.130 -2.425) 21.113 14.388 ( -25.271 -0.927 -0.494) 25.293 14.388 ( -25.271 0.927 -0.494) 25.293 15.086 ( -10.485 -2.399 -0.886) 10.792 15.086 ( -10.485 2.399 -0.886) 10.792 16.086 ( 35.903 -2.833 -5.155) 36.382 16.086 ( 35.903 2.833 -5.155) 36.382 18.135 ( 30.406 -7.420 -0.927) 31.312 18.135 ( 30.406 7.420 -0.927) 31.312 19.155 ( -23.272 -1.003 -0.283) 23.295 19.155 ( -23.272 1.003 -0.283) 23.295 21.585 ( -9.297 -1.239 -0.310) 9.385 21.585 ( -9.297 1.239 -0.310) 9.385 22.372 ( 2.691 -2.240 3.724) 5.111 22.372 ( 2.691 2.240 3.724) 5.111 22.686 ( 14.359 -6.021 3.049) 15.866 22.686 ( 14.359 6.021 3.049) 15.866 27.495 ( 0.427 -0.205 -0.153) 0.498 27.495 ( 0.427 0.205 -0.153) 0.498 28.065 ( -7.347 -0.929 0.252) 7.410 28.065 ( -7.347 0.929 0.252) 7.410 29.107 ( 14.503 -1.361 0.456) 14.574 29.107 ( 14.503 1.361 0.456) 14.574 29.258 ( 30.136 -11.454 -3.259) 32.404 29.258 ( 30.136 11.454 -3.259) 32.404 30.004 ( 7.906 -3.861 -5.099) 10.169 30.004 ( 7.906 3.861 -5.099) 10.169 30.488 ( 5.578 -7.749 -7.973) 12.439 30.488 ( 5.578 7.749 -7.973) 12.439 31.067 ( -2.555 -4.873 10.717) 12.047 31.067 ( -2.555 4.873 10.717) 12.047 31.850 ( -7.865 -3.349 2.540) 8.918 31.850 ( -7.865 3.349 2.540) 8.918 32.533 ( -9.867 -1.645 1.178) 10.072 32.533 ( -9.867 1.645 1.178) 10.072 32.997 ( -20.799 -10.893 -3.785) 23.782 32.997 ( -20.799 10.893 -3.785) 23.782 ======================= Grid point 81 (42/108) ======================= q-point: ( 0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 2.747 -10.643 4.430) 11.851 1.835 ( 2.747 10.643 4.430) 11.851 2.079 ( 15.980 -8.675 -0.158) 18.183 2.079 ( 15.980 8.675 -0.158) 18.183 2.529 ( 1.837 -3.774 4.325) 6.027 2.529 ( 1.837 3.774 4.325) 6.027 2.612 ( -0.777 -1.416 -2.484) 2.964 2.612 ( -0.777 1.416 -2.484) 2.964 2.737 ( -2.270 -5.835 -0.865) 6.320 2.737 ( -2.270 5.835 -0.865) 6.320 3.078 ( -2.143 -2.073 -6.404) 7.064 3.078 ( -2.143 2.073 -6.404) 7.064 3.294 ( 9.170 -8.813 7.256) 14.642 3.294 ( 9.170 8.813 7.256) 14.642 3.532 ( 1.581 -7.119 -0.371) 7.302 3.532 ( 1.581 7.119 -0.371) 7.302 3.671 ( 3.832 -6.296 1.068) 7.448 3.671 ( 3.832 6.296 1.068) 7.448 3.804 ( -4.360 -2.738 0.026) 5.149 3.804 ( -4.360 2.738 0.026) 5.149 3.995 ( 7.324 -2.880 -3.011) 8.426 3.995 ( 7.324 2.880 -3.011) 8.426 4.200 ( -0.862 -0.959 -1.098) 1.694 4.200 ( -0.862 0.959 -1.098) 1.694 4.818 ( 14.226 -0.303 -4.637) 14.966 4.818 ( 14.226 0.303 -4.637) 14.966 4.970 ( -9.501 -2.570 0.967) 9.889 4.970 ( -9.501 2.570 0.967) 9.889 5.199 ( -6.714 -4.231 0.217) 7.939 5.199 ( -6.714 4.231 0.217) 7.939 5.569 ( 4.927 -7.146 0.634) 8.703 5.569 ( 4.927 7.146 0.634) 8.703 5.751 ( 8.098 -3.465 -0.598) 8.828 5.751 ( 8.098 3.465 -0.598) 8.828 5.950 ( -0.062 -3.773 -3.327) 5.031 5.950 ( -0.062 3.773 -3.327) 5.031 6.269 ( -1.723 -6.665 5.657) 8.910 6.269 ( -1.723 6.665 5.657) 8.910 6.466 ( 6.353 -3.695 -2.224) 7.678 6.466 ( 6.353 3.695 -2.224) 7.678 6.664 ( 2.864 -3.284 2.778) 5.168 6.664 ( 2.864 3.284 2.778) 5.168 7.168 ( 9.745 -7.217 1.332) 12.200 7.168 ( 9.745 7.217 1.332) 12.200 7.511 ( 4.582 -7.952 1.733) 9.340 7.511 ( 4.582 7.952 1.733) 9.340 8.050 ( -1.454 -4.797 1.690) 5.290 8.050 ( -1.454 4.797 1.690) 5.290 8.366 ( 14.733 -2.053 -2.869) 15.150 8.366 ( 14.733 2.053 -2.869) 15.150 9.027 ( 12.314 -0.841 -4.381) 13.097 9.027 ( 12.314 0.841 -4.381) 13.097 9.484 ( 3.920 -3.606 4.705) 7.107 9.484 ( 3.920 3.606 4.705) 7.107 9.841 ( 0.220 -0.827 -1.080) 1.378 9.841 ( 0.220 0.827 -1.080) 1.378 10.097 ( 11.920 -1.737 1.812) 12.182 10.097 ( 11.920 1.737 1.812) 12.182 10.372 ( 3.096 -0.743 0.433) 3.213 10.372 ( 3.096 0.743 0.433) 3.213 11.556 ( 7.878 -0.188 1.566) 8.035 11.556 ( 7.878 0.188 1.566) 8.035 11.733 ( -5.203 -2.021 -2.231) 6.011 11.733 ( -5.203 2.021 -2.231) 6.011 12.432 ( -17.277 -7.480 2.230) 18.958 12.432 ( -17.277 7.480 2.230) 18.958 12.734 ( -28.369 -0.391 0.303) 28.373 12.734 ( -28.369 0.391 0.303) 28.373 13.067 ( -16.473 -0.912 -2.565) 16.697 13.067 ( -16.473 0.912 -2.565) 16.697 13.350 ( 0.654 -0.844 -0.124) 1.075 13.350 ( 0.654 0.844 -0.124) 1.075 13.885 ( -17.025 -0.438 -0.236) 17.032 13.885 ( -17.025 0.438 -0.236) 17.032 14.842 ( -12.967 -2.029 -0.862) 13.153 14.842 ( -12.967 2.029 -0.862) 13.153 16.792 ( 31.832 -3.506 -4.930) 32.402 16.792 ( 31.832 3.506 -4.930) 32.402 18.541 ( -7.625 -0.417 0.859) 7.685 18.541 ( -7.625 0.417 0.859) 7.685 18.960 ( 20.743 -5.785 -1.765) 21.606 18.960 ( 20.743 5.785 -1.765) 21.606 21.306 ( -17.886 -1.570 -0.043) 17.955 21.306 ( -17.886 1.570 -0.043) 17.955 22.465 ( 6.307 -1.278 2.175) 6.792 22.465 ( 6.307 1.278 2.175) 6.792 22.902 ( 5.966 -3.761 2.278) 7.411 22.902 ( 5.966 3.761 2.278) 7.411 27.513 ( 1.487 -0.238 -0.156) 1.513 27.513 ( 1.487 0.238 -0.156) 1.513 27.909 ( -7.607 -0.911 0.259) 7.666 27.909 ( -7.607 0.911 0.259) 7.666 29.422 ( 15.451 -1.080 0.491) 15.497 29.422 ( 15.451 1.080 0.491) 15.497 29.793 ( 20.604 -5.665 -0.863) 21.386 29.793 ( 20.604 5.665 -0.863) 21.386 30.164 ( 8.399 -5.933 -6.487) 12.159 30.164 ( 8.399 5.933 -6.487) 12.159 30.613 ( 6.819 -4.737 -5.389) 9.898 30.613 ( 6.819 4.737 -5.389) 9.898 31.037 ( -0.696 -4.403 8.601) 9.687 31.037 ( -0.696 4.403 8.601) 9.687 31.649 ( -11.563 -1.899 2.523) 11.987 31.649 ( -11.563 1.899 2.523) 11.987 32.327 ( -9.358 -3.292 0.201) 9.922 32.327 ( -9.358 3.292 0.201) 9.922 32.620 ( -15.732 -8.285 -2.658) 17.978 32.620 ( -15.732 8.285 -2.658) 17.978 ======================= Grid point 83 (43/108) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.945 -4.152 4.211) 5.989 1.849 ( -0.945 4.152 4.211) 5.989 2.275 ( 4.060 -3.503 0.711) 5.410 2.275 ( 4.060 3.503 0.711) 5.410 2.514 ( -2.965 -5.540 1.816) 6.540 2.514 ( -2.965 5.540 1.816) 6.540 2.579 ( -0.340 -1.927 -0.573) 2.039 2.579 ( -0.340 1.927 -0.573) 2.039 2.819 ( 5.643 -2.224 -1.134) 6.171 2.819 ( 5.643 2.224 -1.134) 6.171 3.085 ( 4.450 -2.371 -4.277) 6.612 3.085 ( 4.450 2.371 -4.277) 6.612 3.449 ( 2.086 -9.153 1.742) 9.548 3.449 ( 2.086 9.153 1.742) 9.548 3.541 ( 2.435 -4.166 -1.569) 5.074 3.541 ( 2.435 4.166 -1.569) 5.074 3.650 ( -3.390 -2.572 6.319) 7.619 3.650 ( -3.390 2.572 6.319) 7.619 3.812 ( 2.827 -1.692 -2.812) 4.332 3.812 ( 2.827 1.692 -2.812) 4.332 4.026 ( -3.175 -1.320 -6.087) 6.991 4.026 ( -3.175 1.320 -6.087) 6.991 4.219 ( 1.090 -3.693 0.928) 3.961 4.219 ( 1.090 3.693 0.928) 3.961 4.794 ( -4.109 -1.910 5.521) 7.142 4.794 ( -4.109 1.911 5.521) 7.142 5.008 ( -2.666 -7.700 -4.415) 9.268 5.008 ( -2.666 7.700 -4.415) 9.268 5.174 ( 9.741 -2.814 -1.567) 10.260 5.174 ( 9.741 2.814 -1.567) 10.260 5.610 ( -0.466 -6.669 1.033) 6.765 5.610 ( -0.466 6.669 1.033) 6.765 5.815 ( -1.991 -2.758 -2.293) 4.102 5.815 ( -1.991 2.758 -2.293) 4.102 5.988 ( 4.470 -1.411 -4.687) 6.628 5.988 ( 4.470 1.411 -4.687) 6.628 6.256 ( 0.213 -7.981 4.301) 9.069 6.256 ( 0.213 7.981 4.301) 9.069 6.531 ( 0.244 -5.637 -0.179) 5.645 6.531 ( 0.244 5.637 -0.179) 5.645 6.752 ( 5.002 -5.000 3.631) 7.950 6.752 ( 5.002 5.000 3.631) 7.950 7.269 ( -0.298 -3.929 3.395) 5.201 7.269 ( -0.298 3.929 3.395) 5.201 7.684 ( 8.296 -2.949 -0.473) 8.817 7.684 ( 8.296 2.949 -0.473) 8.817 8.034 ( 0.726 -1.478 0.831) 1.844 8.034 ( 0.726 1.478 0.831) 1.844 8.681 ( 13.975 -2.305 -2.866) 14.451 8.681 ( 13.975 2.305 -2.866) 14.451 9.256 ( 7.427 -0.644 -6.290) 9.754 9.256 ( 7.427 0.644 -6.290) 9.754 9.538 ( 2.762 -3.089 4.612) 6.200 9.538 ( 2.762 3.089 4.612) 6.200 9.843 ( 0.075 -0.765 -0.522) 0.929 9.843 ( 0.075 0.765 -0.522) 0.929 10.402 ( 18.991 -0.954 -1.411) 19.068 10.402 ( 18.991 0.954 -1.411) 19.068 10.565 ( 14.536 -2.818 1.963) 14.937 10.565 ( 14.536 2.818 1.963) 14.937 11.538 ( -14.163 -1.544 4.822) 15.041 11.538 ( -14.163 1.544 4.822) 15.041 11.589 ( -14.428 -1.144 2.048) 14.617 11.589 ( -14.428 1.144 2.048) 14.617 12.051 ( -8.718 -5.461 -0.223) 10.290 12.051 ( -8.718 5.461 -0.223) 10.290 12.388 ( -3.596 -1.613 -0.539) 3.978 12.388 ( -3.596 1.613 -0.539) 3.978 12.704 ( -17.461 -0.666 -1.839) 17.570 12.704 ( -17.461 0.666 -1.839) 17.570 13.061 ( -20.723 -1.244 -1.187) 20.794 13.061 ( -20.723 1.244 -1.187) 20.794 13.937 ( 13.884 -0.413 0.327) 13.894 13.937 ( 13.884 0.413 0.327) 13.894 14.558 ( -14.488 -1.208 -0.836) 14.562 14.558 ( -14.488 1.208 -0.836) 14.562 17.373 ( 24.986 -2.723 -3.433) 25.367 17.373 ( 24.986 2.723 -3.433) 25.367 18.206 ( -18.437 -0.886 -1.415) 18.513 18.206 ( -18.437 0.886 -1.415) 18.513 19.593 ( 33.516 -4.094 0.064) 33.766 19.593 ( 33.516 4.094 0.064) 33.766 20.854 ( -25.870 -2.068 0.092) 25.953 20.854 ( -25.870 2.068 0.092) 25.953 22.625 ( 8.634 -1.634 1.363) 8.892 22.625 ( 8.634 1.634 1.363) 8.892 22.934 ( -2.432 -2.410 1.019) 3.572 22.934 ( -2.432 2.410 1.019) 3.572 27.559 ( 3.057 -0.294 -0.125) 3.073 27.559 ( 3.057 0.294 -0.125) 3.073 27.761 ( -6.670 -0.631 0.115) 6.701 27.761 ( -6.670 0.631 0.115) 6.701 29.708 ( 11.388 -0.240 -0.350) 11.396 29.708 ( 11.388 0.240 -0.350) 11.396 30.031 ( 3.122 -2.608 -0.043) 4.068 30.031 ( 3.122 2.608 -0.043) 4.068 30.395 ( 13.727 -7.633 -4.853) 16.439 30.395 ( 13.727 7.633 -4.853) 16.439 30.750 ( 5.754 -2.111 -2.386) 6.577 30.750 ( 5.754 2.111 -2.386) 6.577 31.047 ( 1.398 -4.283 5.653) 7.229 31.047 ( 1.398 4.283 5.653) 7.229 31.396 ( -12.384 -0.376 2.017) 12.553 31.396 ( -12.384 0.376 2.017) 12.553 32.180 ( -4.383 -3.348 -0.719) 5.562 32.180 ( -4.383 3.348 -0.719) 5.562 32.348 ( -10.443 -3.071 -1.435) 10.979 32.348 ( -10.443 3.071 -1.435) 10.979 ======================= Grid point 85 (44/108) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -1.123 -1.359 3.549) 3.962 1.824 ( -1.123 1.359 3.549) 3.962 2.306 ( 0.132 -2.172 2.657) 3.434 2.306 ( 0.132 2.172 2.657) 3.434 2.460 ( -2.280 -4.447 -0.298) 5.006 2.460 ( -2.280 4.447 -0.298) 5.006 2.593 ( 1.287 -4.286 1.232) 4.641 2.593 ( 1.287 4.286 1.232) 4.641 2.906 ( 2.625 -1.712 -0.158) 3.138 2.906 ( 2.625 1.712 -0.158) 3.138 3.155 ( -2.364 -3.566 -6.210) 7.542 3.155 ( -2.364 3.566 -6.210) 7.542 3.365 ( -3.681 -6.353 -4.805) 8.775 3.365 ( -3.681 6.353 -4.805) 8.775 3.543 ( -3.213 -4.552 2.556) 6.130 3.543 ( -3.213 4.552 2.556) 6.130 3.651 ( -2.457 -7.067 0.888) 7.535 3.651 ( -2.457 7.067 0.888) 7.535 3.826 ( 1.186 -5.030 -2.013) 5.546 3.826 ( 1.186 5.030 -2.014) 5.546 4.008 ( 2.918 -3.609 -2.476) 5.261 4.008 ( 2.918 3.609 -2.476) 5.261 4.219 ( 0.748 -2.169 -1.031) 2.515 4.219 ( 0.748 2.169 -1.031) 2.515 4.840 ( 5.684 -5.039 13.423) 15.423 4.840 ( 5.684 5.039 13.423) 15.423 4.960 ( 0.780 -9.487 -3.156) 10.029 4.960 ( 0.780 9.487 -3.156) 10.029 5.328 ( 2.768 -1.808 -3.111) 4.540 5.328 ( 2.768 1.808 -3.111) 4.540 5.576 ( -2.138 -0.734 -0.363) 2.289 5.576 ( -2.138 0.734 -0.363) 2.289 5.769 ( 0.088 -1.159 -2.674) 2.916 5.769 ( 0.088 1.159 -2.674) 2.916 6.067 ( 2.205 -6.775 -4.223) 8.282 6.067 ( 2.205 6.775 -4.223) 8.282 6.250 ( -1.656 -8.114 1.959) 8.509 6.250 ( -1.656 8.114 1.959) 8.509 6.538 ( 1.051 -6.575 1.247) 6.774 6.538 ( 1.051 6.575 1.247) 6.774 6.806 ( -1.074 -3.873 3.627) 5.414 6.806 ( -1.074 3.873 3.627) 5.414 7.221 ( -3.157 -2.412 3.646) 5.392 7.221 ( -3.157 2.412 3.646) 5.392 7.732 ( -3.307 -3.002 -2.694) 5.216 7.732 ( -3.307 3.002 -2.694) 5.216 8.077 ( 2.305 -1.278 0.588) 2.700 8.077 ( 2.305 1.278 0.588) 2.700 8.876 ( 3.991 -3.175 -2.340) 5.611 8.876 ( 3.991 3.175 -2.340) 5.611 9.253 ( -4.759 -0.276 -3.538) 5.937 9.253 ( -4.759 0.276 -3.538) 5.937 9.628 ( 2.205 -2.044 -1.135) 3.214 9.628 ( 2.205 2.044 -1.135) 3.214 9.803 ( -3.988 -0.967 -0.390) 4.122 9.803 ( -3.988 0.967 -0.390) 4.122 10.763 ( -2.691 -1.118 0.325) 2.932 10.763 ( -2.691 1.118 0.325) 2.932 10.896 ( 5.779 -0.866 -1.720) 6.091 10.896 ( 5.779 0.866 -1.720) 6.091 11.088 ( 3.472 -1.715 2.315) 4.512 11.088 ( 3.472 1.715 2.315) 4.512 11.345 ( -2.840 -1.297 10.728) 11.173 11.345 ( -2.840 1.297 10.728) 11.173 12.093 ( -0.164 -1.269 1.038) 1.648 12.093 ( -0.164 1.269 1.038) 1.648 12.384 ( -1.137 -0.889 -2.426) 2.823 12.384 ( -1.137 0.889 -2.426) 2.823 12.463 ( -0.035 -2.296 -1.136) 2.562 12.463 ( -0.035 2.296 -1.136) 2.562 12.800 ( 0.271 -2.374 -2.273) 3.298 12.800 ( 0.271 2.374 -2.273) 3.298 14.191 ( -3.413 -0.348 0.030) 3.431 14.191 ( -3.413 0.348 0.030) 3.431 14.307 ( 3.302 -0.210 -0.581) 3.359 14.307 ( 3.302 0.210 -0.581) 3.359 17.794 ( -7.606 -1.970 -2.847) 8.356 17.794 ( -7.606 1.970 -2.847) 8.356 17.848 ( 7.475 -2.081 -2.008) 8.015 17.848 ( 7.475 2.081 -2.008) 8.015 20.240 ( -8.083 -3.442 -0.218) 8.788 20.240 ( -8.083 3.442 -0.218) 8.788 20.281 ( 7.370 -2.034 0.385) 7.655 20.281 ( 7.370 2.034 0.385) 7.655 22.754 ( -1.550 -1.664 1.831) 2.920 22.754 ( -1.550 1.664 1.831) 2.920 22.872 ( 1.771 -1.310 -0.118) 2.206 22.872 ( 1.771 1.310 -0.118) 2.206 27.639 ( -1.207 -0.126 -0.144) 1.222 27.639 ( -1.207 0.126 -0.144) 1.222 27.642 ( 1.200 -0.620 0.057) 1.352 27.642 ( 1.200 0.620 0.057) 1.352 29.824 ( -2.006 -0.892 -2.087) 3.029 29.824 ( -2.006 0.892 -2.087) 3.029 30.044 ( 0.827 -1.245 0.272) 1.519 30.044 ( 0.827 1.245 0.272) 1.519 30.609 ( 3.662 -1.762 -0.590) 4.106 30.609 ( 3.662 1.762 -0.590) 4.106 30.781 ( -2.405 -2.623 -3.168) 4.764 30.781 ( -2.405 2.623 -3.168) 4.764 31.099 ( 0.285 -2.029 3.221) 3.818 31.099 ( 0.285 2.029 3.221) 3.818 31.217 ( -0.212 -1.855 2.768) 3.339 31.217 ( -0.212 1.855 2.768) 3.339 32.149 ( -0.093 -0.131 -0.897) 0.911 32.149 ( -0.093 0.131 -0.897) 0.911 32.222 ( 0.413 -1.063 -0.857) 1.427 32.222 ( 0.413 1.063 -0.857) 1.427 ======================= Grid point 87 (45/108) ======================= q-point: (-0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.120 -7.209 2.825) 7.743 1.815 ( -0.120 7.209 2.825) 7.743 2.303 ( -1.381 -1.018 2.996) 3.452 2.303 ( -1.381 1.018 2.996) 3.452 2.387 ( -5.887 -3.240 -4.348) 8.004 2.387 ( -5.887 3.240 -4.348) 8.004 2.627 ( 1.925 -5.833 1.460) 6.313 2.627 ( 1.925 5.833 1.460) 6.313 2.825 ( -11.197 -2.961 -6.009) 13.048 2.825 ( -11.197 2.961 -6.009) 13.048 3.058 ( 1.090 -1.803 -0.681) 2.214 3.058 ( 1.090 1.803 -0.681) 2.214 3.329 ( -5.535 -4.582 -2.238) 7.526 3.329 ( -5.535 4.582 -2.238) 7.526 3.493 ( -4.599 -9.056 -1.927) 10.339 3.493 ( -4.599 9.056 -1.927) 10.339 3.569 ( 3.567 -4.548 -0.565) 5.808 3.569 ( 3.567 4.548 -0.565) 5.808 3.882 ( 2.326 -6.178 3.371) 7.412 3.882 ( 2.326 6.178 3.371) 7.412 4.087 ( 3.634 -4.189 -0.137) 5.548 4.087 ( 3.634 4.189 -0.137) 5.548 4.234 ( -0.694 -7.416 -0.419) 7.460 4.234 ( -0.694 7.416 -0.419) 7.460 4.924 ( 1.493 -12.136 -1.345) 12.301 4.924 ( 1.493 12.136 -1.345) 12.301 5.071 ( 6.882 -2.057 8.227) 10.921 5.071 ( 6.882 2.057 8.227) 10.921 5.286 ( -3.159 -4.389 0.895) 5.481 5.286 ( -3.159 4.389 0.895) 5.481 5.543 ( -1.337 -4.853 -1.982) 5.410 5.543 ( -1.337 4.853 -1.982) 5.410 5.848 ( 6.283 -7.154 -1.949) 9.719 5.848 ( 6.283 7.154 -1.949) 9.719 6.059 ( -3.846 -8.269 -4.590) 10.210 6.059 ( -3.846 8.269 -4.590) 10.210 6.153 ( -7.593 -6.473 4.613) 10.992 6.153 ( -7.593 6.473 4.613) 10.992 6.574 ( 1.929 -5.153 0.211) 5.507 6.574 ( 1.929 5.153 0.211) 5.507 6.699 ( -7.908 -5.848 2.263) 10.092 6.699 ( -7.908 5.848 2.263) 10.092 7.188 ( -0.551 -2.353 1.745) 2.981 7.188 ( -0.551 2.353 1.745) 2.981 7.577 ( -10.713 -0.660 -4.147) 11.507 7.577 ( -10.713 0.660 -4.147) 11.507 8.100 ( -0.253 -3.065 1.739) 3.533 8.100 ( -0.253 3.065 1.739) 3.533 8.799 ( -10.932 -4.581 0.897) 11.887 8.799 ( -10.932 4.581 0.897) 11.887 9.156 ( -4.515 -0.586 -7.816) 9.045 9.156 ( -4.515 0.586 -7.816) 9.045 9.470 ( -13.174 -2.627 0.430) 13.441 9.470 ( -13.174 2.627 0.430) 13.441 9.820 ( 4.119 -0.659 -0.246) 4.178 9.820 ( 4.119 0.659 -0.246) 4.178 10.306 ( -22.381 -0.980 -1.203) 22.435 10.306 ( -22.381 0.980 -1.203) 22.435 10.763 ( -11.562 -0.469 4.354) 12.364 10.763 ( -11.562 0.469 4.354) 12.364 11.553 ( 13.839 -2.320 2.932) 14.335 11.553 ( 13.839 2.320 2.932) 14.335 11.596 ( 17.997 -3.384 5.198) 19.036 11.596 ( 17.997 3.384 5.198) 19.036 12.060 ( 8.415 -1.562 0.693) 8.587 12.060 ( 8.415 1.562 0.693) 8.587 12.317 ( 1.524 -0.216 -3.621) 3.935 12.317 ( 1.524 0.216 -3.621) 3.935 12.726 ( 18.197 -3.760 -0.894) 18.603 12.726 ( 18.197 3.760 -0.894) 18.603 13.049 ( 19.496 -3.497 -1.792) 19.888 13.049 ( 19.496 3.497 -1.793) 19.888 13.915 ( -13.412 -0.290 -0.533) 13.426 13.915 ( -13.412 0.290 -0.533) 13.426 14.578 ( 14.296 -0.929 -0.100) 14.326 14.578 ( 14.296 0.929 -0.100) 14.326 17.354 ( -24.413 -3.960 -4.219) 25.089 17.354 ( -24.413 3.960 -4.219) 25.089 18.217 ( 17.749 -1.234 -0.979) 17.819 18.217 ( 17.749 1.234 -0.979) 17.819 19.567 ( -34.353 -3.390 -0.858) 34.530 19.567 ( -34.353 3.390 -0.858) 34.530 20.852 ( 25.475 -2.159 0.087) 25.567 20.852 ( 25.475 2.159 0.087) 25.567 22.600 ( -9.365 -1.117 0.395) 9.440 22.600 ( -9.365 1.117 0.395) 9.440 22.968 ( 3.360 -1.475 2.259) 4.309 22.968 ( 3.360 1.475 2.259) 4.309 27.558 ( -3.060 -0.090 -0.175) 3.067 27.558 ( -3.060 0.090 -0.175) 3.067 27.762 ( 6.748 -0.738 0.169) 6.791 27.762 ( 6.748 0.738 0.169) 6.791 29.655 ( -12.314 -0.308 -2.249) 12.521 29.655 ( -12.314 0.308 -2.249) 12.521 30.031 ( -4.711 -2.215 0.055) 5.206 30.031 ( -4.711 2.215 0.055) 5.206 30.457 ( -13.326 -8.275 -3.161) 16.001 30.457 ( -13.326 8.275 -3.161) 16.001 30.742 ( -3.772 -1.260 -2.426) 4.659 30.742 ( -3.772 1.260 -2.426) 4.659 31.070 ( 0.551 -5.217 7.021) 8.764 31.070 ( 0.551 5.217 7.021) 8.764 31.376 ( 10.582 -0.561 0.972) 10.642 31.376 ( 10.582 0.561 0.972) 10.642 32.172 ( 3.919 -2.802 -1.057) 4.932 32.172 ( 3.919 2.802 -1.057) 4.932 32.367 ( 11.620 -4.446 -0.658) 12.459 32.367 ( 11.620 4.446 -0.658) 12.459 ======================= Grid point 89 (46/108) ======================= q-point: (-0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -6.098 -12.886 0.251) 14.258 1.775 ( -6.098 12.886 0.251) 14.258 2.091 ( -15.966 -2.747 -0.312) 16.204 2.091 ( -15.966 2.747 -0.312) 16.204 2.337 ( 1.195 -5.729 -1.438) 6.026 2.337 ( 1.195 5.729 -1.438) 6.026 2.635 ( -2.197 -3.339 -1.036) 4.129 2.635 ( -2.197 3.339 -1.036) 4.129 2.718 ( 2.095 -6.044 -1.388) 6.546 2.718 ( 2.095 6.044 -1.388) 6.546 3.080 ( -4.404 -6.652 -1.344) 8.090 3.080 ( -4.404 6.652 -1.344) 8.090 3.186 ( -2.471 -7.396 -1.217) 7.893 3.186 ( -2.471 7.396 -1.217) 7.893 3.421 ( -1.636 -4.864 -2.511) 5.713 3.421 ( -1.636 4.864 -2.511) 5.713 3.719 ( 8.257 -8.483 -2.126) 12.028 3.719 ( 8.257 8.483 -2.126) 12.028 3.903 ( -0.710 -3.997 6.541) 7.698 3.903 ( -0.710 3.997 6.541) 7.698 4.094 ( -4.742 -5.715 1.282) 7.536 4.094 ( -4.742 5.715 1.282) 7.536 4.198 ( -1.038 -5.772 -0.987) 5.947 4.198 ( -1.038 5.772 -0.987) 5.947 4.823 ( -12.194 -4.763 -4.373) 13.802 4.823 ( -12.194 4.763 -4.373) 13.802 5.137 ( 2.333 -1.397 5.669) 6.288 5.137 ( 2.333 1.397 5.669) 6.288 5.352 ( 3.814 -3.132 6.169) 7.900 5.352 ( 3.814 3.132 6.169) 7.900 5.496 ( -3.357 -2.626 -1.498) 4.518 5.496 ( -3.357 2.626 -1.498) 4.518 5.789 ( -12.239 -6.265 -0.636) 13.764 5.789 ( -12.239 6.265 -0.636) 13.764 5.982 ( 1.719 -8.896 -1.869) 9.252 5.982 ( 1.719 8.896 -1.869) 9.252 6.090 ( 0.166 -3.342 0.110) 3.348 6.090 ( 0.166 3.342 0.110) 3.348 6.547 ( -4.863 -7.354 0.146) 8.817 6.547 ( -4.863 7.354 0.146) 8.817 6.595 ( -2.695 -3.960 -0.599) 4.827 6.595 ( -2.695 3.960 -0.599) 4.827 7.095 ( -9.439 -7.034 0.134) 11.773 7.095 ( -9.439 7.034 0.134) 11.773 7.422 ( -0.739 -4.922 -1.368) 5.162 7.422 ( -0.739 4.922 -1.368) 5.162 8.066 ( -3.076 -3.424 1.916) 4.986 8.066 ( -3.076 3.424 1.916) 4.986 8.537 ( -11.649 -0.964 2.116) 11.879 8.537 ( -11.649 0.964 2.116) 11.879 9.013 ( -9.091 -4.432 -5.326) 11.430 9.013 ( -9.091 4.432 -5.326) 11.430 9.260 ( -6.742 -2.184 -1.884) 7.333 9.260 ( -6.742 2.184 -1.884) 7.333 9.888 ( 0.567 -0.122 -0.733) 0.935 9.888 ( 0.567 0.122 -0.733) 0.935 9.961 ( -10.718 -0.586 0.554) 10.748 9.961 ( -10.718 0.586 0.554) 10.748 10.566 ( -6.046 -1.161 5.120) 8.007 10.566 ( -6.046 1.161 5.120) 8.007 11.485 ( -9.464 -1.325 -0.900) 9.599 11.485 ( -9.464 1.325 -0.900) 9.599 11.961 ( 10.629 -1.848 7.264) 13.006 11.961 ( 10.629 1.848 7.264) 13.006 12.240 ( 10.765 -4.667 -6.207) 13.274 12.240 ( 10.765 4.667 -6.207) 13.274 12.740 ( 29.552 -0.532 0.719) 29.566 12.740 ( 29.552 0.532 0.719) 29.566 13.094 ( 16.382 -3.513 -1.518) 16.823 13.094 ( 16.382 3.513 -1.518) 16.823 13.317 ( 0.711 -3.804 -1.479) 4.143 13.317 ( 0.711 3.804 -1.479) 4.143 13.884 ( 17.286 -0.550 -0.331) 17.298 13.884 ( 17.286 0.550 -0.331) 17.298 14.856 ( 12.640 -1.810 -0.389) 12.774 14.856 ( 12.640 1.810 -0.389) 12.774 16.788 ( -30.639 -6.213 -5.312) 31.711 16.788 ( -30.639 6.213 -5.312) 31.711 18.513 ( 2.605 -0.340 0.104) 2.629 18.513 ( 2.605 0.340 0.104) 2.629 18.937 ( -17.258 -4.061 -2.547) 17.911 18.937 ( -17.258 4.061 -2.547) 17.911 21.299 ( 17.772 -1.749 -0.156) 17.859 21.299 ( 17.772 1.749 -0.156) 17.859 22.422 ( -7.436 -0.744 0.594) 7.497 22.422 ( -7.436 0.744 0.594) 7.497 22.958 ( -5.110 -2.229 4.134) 6.940 22.958 ( -5.110 2.229 4.134) 6.940 27.512 ( -1.458 -0.004 -0.204) 1.472 27.512 ( -1.458 0.004 -0.204) 1.472 27.913 ( 7.791 -1.065 0.420) 7.875 27.913 ( 7.791 1.065 0.420) 7.875 29.362 ( -15.392 -0.290 -1.993) 15.523 29.362 ( -15.392 0.290 -1.993) 15.523 29.769 ( -20.871 -5.758 -1.601) 21.709 29.769 ( -20.871 5.758 -1.601) 21.709 30.216 ( -9.279 -6.640 -4.803) 12.380 30.216 ( -9.279 6.640 -4.803) 12.380 30.618 ( -6.941 -2.222 -3.371) 8.030 30.618 ( -6.941 2.222 -3.371) 8.030 31.120 ( 2.995 -8.298 10.553) 13.755 31.120 ( 2.995 8.298 10.553) 13.755 31.591 ( 9.845 -1.266 -0.049) 9.927 31.591 ( 9.845 1.266 -0.049) 9.927 32.314 ( 9.477 -1.701 -0.431) 9.638 32.314 ( 9.477 1.701 -0.431) 9.638 32.660 ( 16.477 -9.911 -1.003) 19.254 32.660 ( 16.477 9.911 -1.003) 19.254 ======================= Grid point 91 (47/108) ======================= q-point: (-0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -15.822 -16.689 0.168) 22.997 1.525 ( -15.822 16.689 0.168) 22.997 1.806 ( -12.552 -13.299 7.184) 19.648 1.806 ( -12.552 13.299 7.184) 19.648 2.399 ( 3.696 -7.733 1.136) 8.646 2.399 ( 3.696 7.733 1.136) 8.646 2.580 ( -3.729 -4.174 -1.582) 5.817 2.580 ( -3.729 4.174 -1.582) 5.817 2.734 ( -3.925 -11.576 0.050) 12.223 2.734 ( -3.925 11.576 0.050) 12.223 2.936 ( -4.908 -11.494 -1.403) 12.577 2.936 ( -4.908 11.494 -1.403) 12.577 3.187 ( -0.710 -6.660 -1.666) 6.902 3.187 ( -0.710 6.660 -1.666) 6.902 3.400 ( -1.917 -1.266 -2.082) 3.100 3.400 ( -1.917 1.266 -2.082) 3.100 3.721 ( -9.811 -5.543 0.712) 11.292 3.721 ( -9.811 5.543 0.712) 11.292 3.905 ( 1.328 -3.973 -1.236) 4.368 3.905 ( 1.328 3.973 -1.236) 4.368 4.043 ( 3.333 -5.126 -0.251) 6.119 4.043 ( 3.333 5.126 -0.251) 6.119 4.163 ( -2.317 -7.286 -2.795) 8.141 4.163 ( -2.317 7.286 -2.795) 8.141 4.533 ( -12.622 -4.893 0.294) 13.540 4.533 ( -12.622 4.893 0.294) 13.540 5.089 ( -10.996 -3.845 0.007) 11.648 5.089 ( -10.996 3.845 0.007) 11.648 5.277 ( -0.270 -3.750 3.105) 4.877 5.277 ( -0.270 3.750 3.105) 4.877 5.509 ( 0.858 -4.093 2.324) 4.784 5.509 ( 0.858 4.093 2.324) 4.784 5.696 ( -0.408 -4.405 1.262) 4.601 5.696 ( -0.408 4.405 1.262) 4.601 5.939 ( -4.132 -7.734 -1.103) 8.838 5.939 ( -4.132 7.734 -1.103) 8.838 6.107 ( 0.537 -1.068 -3.358) 3.565 6.107 ( 0.537 1.068 -3.358) 3.565 6.403 ( -8.556 -5.383 -1.811) 10.269 6.403 ( -8.556 5.383 -1.811) 10.269 6.551 ( 0.641 -3.391 5.161) 6.209 6.551 ( 0.641 3.391 5.161) 6.209 6.990 ( 0.248 -6.320 -1.849) 6.589 6.990 ( 0.248 6.320 -1.849) 6.589 7.474 ( 4.027 -6.548 1.830) 7.902 7.474 ( 4.027 6.548 1.830) 7.902 7.984 ( -4.735 -2.733 0.420) 5.483 7.984 ( -4.735 2.733 0.420) 5.483 8.379 ( -4.330 -2.830 2.821) 5.892 8.379 ( -4.330 2.830 2.821) 5.892 8.815 ( -9.044 -6.031 -0.700) 10.893 8.815 ( -9.044 6.031 -0.700) 10.893 9.157 ( -3.577 -3.383 -4.489) 6.663 9.157 ( -3.577 3.383 -4.489) 6.663 9.763 ( -6.686 -1.408 1.369) 6.968 9.763 ( -6.686 1.408 1.369) 6.968 9.899 ( -1.452 -1.317 2.050) 2.836 9.899 ( -1.452 1.317 2.050) 2.836 10.544 ( 2.795 -0.945 2.860) 4.109 10.544 ( 2.795 0.945 2.860) 4.109 11.320 ( -5.262 -1.720 -1.889) 5.849 11.320 ( -5.262 1.720 -1.889) 5.849 12.020 ( -1.562 -1.991 1.962) 3.202 12.020 ( -1.562 1.991 1.962) 3.202 12.540 ( 13.665 -6.699 -3.156) 15.543 12.540 ( 13.665 6.699 -3.156) 15.543 12.912 ( -11.897 -1.290 -1.318) 12.040 12.912 ( -11.897 1.290 -1.318) 12.040 13.440 ( 22.824 -2.414 -0.491) 22.956 13.440 ( 22.824 2.414 -0.491) 22.956 13.582 ( 22.161 -5.732 -1.564) 22.944 13.582 ( 22.161 5.732 -1.564) 22.944 14.383 ( 25.161 -1.767 -0.725) 25.233 14.383 ( 25.161 1.767 -0.725) 25.233 15.091 ( 9.941 -2.378 -0.821) 10.254 15.091 ( 9.941 2.378 -0.821) 10.254 16.102 ( -34.863 -6.630 -5.012) 35.840 16.102 ( -34.863 6.630 -5.012) 35.840 18.059 ( -30.374 -1.405 -2.846) 30.539 18.059 ( -30.374 1.405 -2.846) 30.539 19.155 ( 22.740 -2.601 -0.465) 22.893 19.155 ( 22.740 2.601 -0.465) 22.893 21.578 ( 9.374 -1.451 -0.314) 9.491 21.578 ( 9.374 1.451 -0.314) 9.491 22.313 ( -2.951 -2.407 1.808) 4.215 22.313 ( -2.951 2.407 1.808) 4.215 22.754 ( -14.545 -3.584 5.069) 15.814 22.754 ( -14.545 3.584 5.069) 15.814 27.494 ( -0.395 -0.006 -0.193) 0.439 27.494 ( -0.395 0.006 -0.193) 0.439 28.074 ( 7.486 -1.174 0.557) 7.598 28.074 ( 7.486 1.174 0.557) 7.598 29.048 ( -14.972 -0.678 -2.753) 15.238 29.048 ( -14.972 0.678 -2.753) 15.238 29.236 ( -28.928 -9.812 -2.887) 30.683 29.236 ( -28.928 9.812 -2.887) 30.683 30.034 ( -8.733 -4.804 -4.113) 10.783 30.034 ( -8.733 4.804 -4.113) 10.783 30.485 ( -5.415 -4.575 -5.844) 9.187 30.485 ( -5.415 4.575 -5.844) 9.187 31.179 ( 1.869 -10.294 13.027) 16.708 31.179 ( 1.869 10.294 13.027) 16.708 31.774 ( 7.919 -3.010 -0.710) 8.501 31.774 ( 7.919 3.010 -0.710) 8.501 32.529 ( 10.402 -2.350 0.855) 10.698 32.529 ( 10.402 2.350 0.855) 10.698 33.040 ( 20.596 -12.386 -2.106) 24.125 33.040 ( 20.596 12.386 -2.106) 24.125 ======================= Grid point 93 (48/108) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -13.661 -18.651 8.295) 24.562 1.216 ( -13.661 18.651 8.295) 24.562 1.545 ( -13.615 -21.312 12.578) 28.244 1.545 ( -13.615 21.312 12.578) 28.244 2.285 ( -15.571 -27.786 8.896) 33.071 2.285 ( -15.571 27.786 8.896) 33.071 2.517 ( 0.031 -2.223 -0.554) 2.291 2.517 ( 0.031 2.223 -0.554) 2.291 2.693 ( 4.434 -2.878 1.574) 5.515 2.693 ( 4.434 2.878 1.574) 5.515 2.849 ( -5.793 -8.817 -4.155) 11.338 2.849 ( -5.793 8.817 -4.155) 11.338 3.123 ( -5.205 -3.692 -0.787) 6.430 3.123 ( -5.205 3.692 -0.787) 6.430 3.324 ( -3.037 -4.920 -2.378) 6.252 3.324 ( -3.037 4.920 -2.378) 6.252 3.619 ( -0.760 -7.053 -1.774) 7.312 3.619 ( -0.760 7.053 -1.774) 7.312 3.875 ( -6.539 -0.852 -9.231) 11.344 3.875 ( -6.539 0.852 -9.231) 11.344 3.969 ( -0.905 -2.572 -4.943) 5.645 3.969 ( -0.905 2.572 -4.943) 5.645 4.292 ( 8.828 -5.568 -5.287) 11.701 4.292 ( 8.828 5.568 -5.287) 11.701 4.406 ( 0.913 -6.844 1.127) 6.996 4.406 ( 0.913 6.844 1.127) 6.996 4.892 ( -6.902 -2.714 3.993) 8.422 4.892 ( -6.902 2.714 3.993) 8.422 5.286 ( -1.625 -6.923 0.873) 7.165 5.286 ( -1.625 6.923 0.873) 7.165 5.480 ( -3.259 -0.844 4.841) 5.897 5.480 ( -3.259 0.844 4.841) 5.897 5.653 ( -2.659 -3.675 2.268) 5.071 5.653 ( -2.659 3.675 2.268) 5.071 5.901 ( 0.483 -4.514 -3.832) 5.941 5.901 ( 0.483 4.514 -3.832) 5.941 6.112 ( 0.730 -1.617 -3.579) 3.995 6.112 ( 0.730 1.617 -3.579) 3.995 6.291 ( -2.149 -4.992 -1.082) 5.542 6.291 ( -2.149 4.992 -1.082) 5.542 6.595 ( 2.273 -2.008 12.149) 12.522 6.595 ( 2.273 2.008 12.149) 12.522 7.034 ( 3.027 -1.525 -1.712) 3.797 7.034 ( 3.027 1.525 -1.712) 3.797 7.561 ( 3.514 -3.919 0.848) 5.331 7.561 ( 3.514 3.919 0.848) 5.331 7.875 ( -5.779 -4.310 1.213) 7.311 7.875 ( -5.779 4.310 1.213) 7.311 8.306 ( -3.558 -4.472 -1.101) 5.820 8.306 ( -3.558 4.472 -1.101) 5.820 8.686 ( -3.286 -4.188 1.235) 5.464 8.686 ( -3.286 4.188 1.235) 5.464 9.120 ( 0.858 -7.607 -1.507) 7.802 9.120 ( 0.858 7.607 -1.507) 7.802 9.652 ( -3.785 -2.962 3.627) 6.021 9.652 ( -3.785 2.962 3.627) 6.021 9.884 ( -0.286 -3.558 2.523) 4.371 9.884 ( -0.286 3.558 2.523) 4.371 10.617 ( 2.963 -1.330 0.444) 3.278 10.617 ( 2.963 1.330 0.444) 3.278 11.287 ( 1.730 -1.563 -1.969) 3.052 11.287 ( 1.730 1.563 -1.969) 3.052 11.960 ( -3.531 -2.863 -1.416) 4.762 11.960 ( -3.531 2.863 -1.416) 4.762 12.573 ( -9.951 -0.660 -0.256) 9.976 12.573 ( -9.951 0.660 -0.256) 9.976 12.818 ( 5.094 -7.391 -2.209) 9.245 12.818 ( 5.094 7.391 -2.209) 9.245 13.815 ( 11.622 -6.142 -2.323) 13.349 13.815 ( 11.622 6.142 -2.323) 13.349 13.997 ( 14.813 -5.685 -3.220) 16.190 13.997 ( 14.813 5.685 -3.220) 16.190 14.793 ( 12.347 -1.771 -0.966) 12.510 14.793 ( 12.347 1.771 -0.966) 12.510 15.217 ( -1.182 -1.971 -1.224) 2.604 15.217 ( -1.182 1.971 -1.224) 2.604 15.501 ( -14.617 -1.414 -1.086) 14.726 15.501 ( -14.617 1.414 -1.086) 14.726 17.482 ( -23.600 -0.639 -3.591) 23.880 17.482 ( -23.600 0.639 -3.591) 23.880 19.655 ( 23.458 -3.458 0.982) 23.731 19.655 ( 23.458 3.458 0.982) 23.731 21.688 ( 1.486 -0.984 -0.470) 1.843 21.688 ( 1.486 0.984 -0.470) 1.843 22.303 ( 1.105 -5.088 3.615) 6.338 22.303 ( 1.105 5.088 3.615) 6.338 22.413 ( -16.158 -5.769 3.940) 17.604 22.413 ( -16.158 5.769 3.940) 17.604 27.492 ( 0.076 -0.034 -0.177) 0.196 27.492 ( 0.076 0.034 -0.177) 0.196 28.206 ( 4.895 -0.748 0.359) 4.965 28.206 ( 4.895 0.748 0.359) 4.965 28.566 ( -28.260 -6.995 -4.579) 29.471 28.566 ( -28.260 6.995 -4.579) 29.471 28.851 ( -8.345 -0.842 0.650) 8.412 28.851 ( -8.345 0.842 0.650) 8.412 29.862 ( -7.027 -6.712 -2.735) 10.095 29.862 ( -7.027 6.712 -2.735) 10.095 30.398 ( -2.625 -6.848 -8.095) 10.923 30.398 ( -2.625 6.848 -8.095) 10.923 31.201 ( -0.347 -10.317 13.962) 17.364 31.201 ( -0.347 10.317 13.962) 17.364 31.910 ( 5.243 -4.133 -0.608) 6.703 31.910 ( 5.243 4.133 -0.608) 6.703 32.706 ( 6.175 -4.431 1.329) 7.716 32.706 ( 6.175 4.431 1.329) 7.716 33.473 ( 19.629 -6.330 -5.357) 21.308 33.473 ( 19.629 6.330 -5.357) 21.308 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.601 0.000 24.826) 24.834 1.289 ( -12.062 0.000 30.801) 33.078 1.484 ( 11.554 0.000 31.488) 33.541 1.887 ( 0.976 0.000 14.672) 14.705 2.191 ( -10.032 0.000 6.261) 11.825 2.270 ( 1.180 0.000 -3.777) 3.957 2.419 ( 6.395 0.000 -1.295) 6.524 2.589 ( -3.525 0.000 -0.729) 3.599 2.685 ( 0.920 0.000 5.108) 5.190 2.782 ( -3.715 0.000 -2.471) 4.462 2.802 ( 6.827 0.000 1.878) 7.081 2.904 ( -2.892 0.000 -9.019) 9.472 2.951 ( -4.072 0.000 1.617) 4.381 3.118 ( 0.819 0.000 -1.513) 1.720 3.179 ( 1.823 0.000 -5.673) 5.959 3.337 ( -4.073 0.000 -10.203) 10.986 3.453 ( 2.383 0.000 -10.823) 11.082 3.560 ( 2.754 0.000 -1.873) 3.331 3.643 ( 1.456 0.000 -11.162) 11.257 3.703 ( 4.941 0.000 -11.079) 12.131 3.951 ( 4.343 0.000 -1.361) 4.551 4.090 ( 3.546 0.000 -2.471) 4.323 4.165 ( 2.721 0.000 0.671) 2.803 4.218 ( 1.487 0.000 -3.817) 4.096 4.439 ( -0.209 0.000 -3.090) 3.097 4.513 ( 0.387 0.000 -0.378) 0.541 4.824 ( -4.268 0.000 -0.009) 4.268 5.028 ( 2.384 0.000 -1.695) 2.925 5.075 ( -7.597 0.000 5.217) 9.216 5.191 ( -2.657 0.000 3.519) 4.410 5.485 ( -4.572 0.000 3.980) 6.062 5.571 ( -2.809 0.000 6.338) 6.932 5.610 ( -0.266 0.000 6.143) 6.148 5.725 ( 1.885 0.000 -1.029) 2.147 5.790 ( 6.169 0.000 -7.524) 9.729 5.860 ( 0.027 0.000 -0.773) 0.774 6.076 ( 3.302 0.000 -5.268) 6.217 6.167 ( -2.402 0.000 -1.758) 2.977 6.316 ( -2.560 0.000 0.059) 2.561 6.355 ( 0.891 0.000 -1.903) 2.101 6.571 ( -0.822 0.000 3.308) 3.408 6.727 ( -0.136 0.000 -2.755) 2.759 7.133 ( 4.639 0.000 9.726) 10.775 7.318 ( -0.547 0.000 3.264) 3.309 7.646 ( 1.108 0.000 4.843) 4.968 7.673 ( 1.928 0.000 4.076) 4.509 7.765 ( -4.018 0.000 7.350) 8.377 7.945 ( -0.815 0.000 -1.304) 1.538 8.045 ( -3.978 0.000 -4.461) 5.977 8.293 ( 3.360 0.000 -5.332) 6.303 8.667 ( -1.726 0.000 -1.402) 2.224 8.692 ( -3.436 0.000 0.068) 3.437 9.005 ( 4.629 0.000 3.131) 5.589 9.260 ( 3.595 0.000 -6.137) 7.112 9.662 ( 1.433 0.000 5.653) 5.832 9.764 ( -1.381 0.000 3.760) 4.006 9.888 ( 2.043 0.000 4.212) 4.681 10.011 ( -2.954 0.000 3.082) 4.269 10.579 ( -0.081 0.000 -1.160) 1.163 10.607 ( -2.142 0.000 -3.042) 3.720 11.319 ( 0.773 0.000 -0.206) 0.800 11.336 ( 1.320 0.000 -1.117) 1.730 11.775 ( -1.718 0.000 -2.569) 3.090 11.857 ( -1.431 0.000 -5.298) 5.488 12.479 ( 2.248 0.000 0.613) 2.330 12.495 ( 1.289 0.000 0.229) 1.309 12.775 ( 0.715 0.000 4.645) 4.700 12.978 ( 7.700 0.000 -0.211) 7.703 13.780 ( 6.336 0.000 1.220) 6.452 13.924 ( -15.354 0.000 -3.978) 15.861 14.064 ( -0.625 0.000 1.043) 1.216 14.108 ( -0.997 0.000 -2.302) 2.509 14.850 ( -1.149 0.000 0.317) 1.192 14.871 ( 1.234 0.000 -0.710) 1.424 15.141 ( -0.284 0.000 -0.111) 0.305 15.172 ( -0.433 0.000 -0.748) 0.864 15.437 ( 1.058 0.000 -0.145) 1.068 15.472 ( 0.097 0.000 -0.959) 0.964 17.128 ( -1.113 0.000 0.941) 1.457 17.256 ( 8.089 0.000 -3.301) 8.737 19.903 ( 1.900 0.000 3.508) 3.990 20.081 ( -1.577 0.000 -3.122) 3.498 21.661 ( 0.214 0.000 -0.403) 0.456 21.680 ( -0.277 0.000 -0.587) 0.649 22.050 ( -2.701 0.000 3.359) 4.310 22.217 ( 1.330 0.000 -1.442) 1.962 22.450 ( -0.253 0.000 2.529) 2.542 22.573 ( 0.478 0.000 0.386) 0.614 27.486 ( -0.100 0.000 -0.137) 0.170 27.494 ( 0.174 0.000 -0.110) 0.206 28.212 ( -0.334 0.000 0.384) 0.509 28.229 ( 4.305 0.000 -0.197) 4.309 28.259 ( -0.496 0.000 0.018) 0.497 28.260 ( -0.029 0.000 -0.011) 0.031 28.782 ( 0.074 0.000 1.386) 1.388 28.799 ( 1.081 0.000 0.664) 1.268 29.428 ( -0.410 0.000 11.245) 11.252 29.831 ( -0.742 0.000 -2.843) 2.938 30.113 ( -0.467 0.000 -4.893) 4.915 30.387 ( 0.302 0.000 -11.933) 11.936 31.215 ( -0.986 0.000 8.389) 8.446 31.661 ( 0.501 0.000 -8.583) 8.598 32.190 ( 2.376 0.000 5.746) 6.218 32.395 ( -1.551 0.000 8.664) 8.802 32.560 ( -6.355 0.000 -4.872) 8.008 32.696 ( 0.973 0.000 0.907) 1.330 33.316 ( 2.758 0.000 -1.837) 3.313 33.505 ( -1.213 0.000 -6.076) 6.196 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 5.051 0.000 24.277) 24.797 1.230 ( 17.678 0.000 21.230) 27.626 1.980 ( 8.030 0.000 11.980) 14.422 2.026 ( 29.967 0.000 23.344) 37.986 2.267 ( 11.023 0.000 2.872) 11.391 2.297 ( 1.661 0.000 -1.906) 2.528 2.525 ( 3.602 0.000 -6.842) 7.732 2.572 ( 3.648 0.000 0.121) 3.650 2.609 ( -4.463 0.000 -4.718) 6.494 2.677 ( -5.852 0.000 -0.435) 5.868 2.898 ( -1.780 0.000 4.329) 4.680 2.971 ( 9.272 0.000 5.891) 10.985 2.977 ( 6.806 0.000 -4.859) 8.363 3.153 ( 3.199 0.000 3.063) 4.428 3.308 ( 3.014 0.000 -7.111) 7.724 3.350 ( 10.838 0.000 -9.042) 14.115 3.394 ( -4.577 0.000 -11.151) 12.053 3.523 ( -2.006 0.000 -1.429) 2.463 3.788 ( 7.565 0.000 -5.005) 9.071 3.856 ( 7.097 0.000 -14.255) 15.924 3.950 ( -4.264 0.000 -6.137) 7.473 4.118 ( -2.596 0.000 0.710) 2.691 4.168 ( -3.903 0.000 3.075) 4.969 4.228 ( -0.996 0.000 -6.288) 6.366 4.530 ( 10.287 0.000 -3.184) 10.768 4.560 ( 5.242 0.000 -6.924) 8.685 4.773 ( 4.789 0.000 6.370) 7.970 4.907 ( -5.882 0.000 -1.434) 6.054 5.149 ( 6.439 0.000 5.039) 8.177 5.157 ( -1.293 0.000 4.957) 5.123 5.487 ( 4.248 0.000 6.483) 7.751 5.529 ( -0.865 0.000 6.139) 6.200 5.611 ( -0.049 0.000 6.293) 6.293 5.768 ( 2.146 0.000 -2.753) 3.490 5.814 ( -1.775 0.000 -3.560) 3.978 5.920 ( 2.441 0.000 -4.138) 4.804 6.076 ( -3.460 0.000 -5.790) 6.745 6.147 ( 1.749 0.000 -2.254) 2.852 6.286 ( 0.044 0.000 0.954) 0.955 6.390 ( 3.228 0.000 -1.637) 3.620 6.601 ( 2.314 0.000 0.769) 2.439 6.729 ( 0.700 0.000 -0.943) 1.174 7.082 ( -12.907 0.000 8.050) 15.211 7.163 ( -1.889 0.000 8.228) 8.442 7.577 ( -8.043 0.000 4.929) 9.433 7.716 ( 0.677 0.000 2.826) 2.905 7.829 ( 7.927 0.000 5.791) 9.817 7.955 ( 1.899 0.000 -2.291) 2.976 7.969 ( -3.193 0.000 -2.769) 4.227 8.407 ( 8.057 0.000 -6.872) 10.590 8.563 ( -6.424 0.000 3.712) 7.420 8.689 ( 3.057 0.000 -2.826) 4.163 9.137 ( 7.500 0.000 2.614) 7.943 9.342 ( 4.505 0.000 -6.720) 8.090 9.749 ( 6.169 0.000 5.485) 8.255 9.816 ( 5.826 0.000 4.974) 7.661 9.915 ( 0.352 0.000 3.786) 3.802 9.926 ( -4.558 0.000 1.773) 4.890 10.524 ( -5.460 0.000 -1.875) 5.773 10.548 ( -3.370 0.000 -0.423) 3.396 11.323 ( 0.848 0.000 -0.708) 1.105 11.350 ( 1.127 0.000 -1.273) 1.700 11.719 ( -2.117 0.000 -1.599) 2.653 11.835 ( -0.933 0.000 -3.322) 3.450 12.632 ( 12.081 0.000 -0.567) 12.094 12.660 ( 13.233 0.000 0.249) 13.235 12.746 ( -3.351 0.000 4.025) 5.237 13.144 ( 0.032 0.000 -10.695) 10.695 13.621 ( -13.401 0.000 -3.326) 13.807 13.768 ( -8.477 0.000 1.993) 8.709 13.891 ( -15.599 0.000 1.233) 15.648 13.941 ( -15.798 0.000 -1.753) 15.894 14.777 ( -11.238 0.000 -1.106) 11.293 14.780 ( -13.217 0.000 0.116) 13.218 15.196 ( -0.060 0.000 -0.202) 0.211 15.207 ( 4.302 0.000 -2.021) 4.753 15.448 ( 8.353 0.000 -0.114) 8.354 15.488 ( 11.490 0.000 -1.598) 11.600 17.374 ( 23.187 0.000 0.176) 23.188 17.664 ( 27.154 0.000 -9.278) 28.695 19.655 ( -22.409 0.000 2.457) 22.543 19.707 ( -27.715 0.000 -0.882) 27.729 21.671 ( -1.644 0.000 0.089) 1.646 21.697 ( -0.798 0.000 -0.781) 1.116 22.176 ( 11.738 0.000 1.669) 11.856 22.283 ( 3.918 0.000 2.019) 4.407 22.480 ( 4.597 0.000 4.599) 6.503 22.709 ( 11.464 0.000 1.116) 11.518 27.483 ( -0.129 0.000 -0.180) 0.222 27.494 ( -0.051 0.000 -0.118) 0.129 28.191 ( -5.134 0.000 0.734) 5.186 28.206 ( -4.510 0.000 0.120) 4.512 28.443 ( 20.493 0.000 -1.079) 20.521 28.718 ( 32.296 0.000 -13.731) 35.093 28.890 ( 13.268 0.000 -0.774) 13.290 28.906 ( 9.100 0.000 0.578) 9.118 29.522 ( 8.376 0.000 9.992) 13.038 29.857 ( 3.237 0.000 -2.515) 4.099 30.140 ( 3.320 0.000 -3.507) 4.829 30.411 ( 2.508 0.000 -11.919) 12.180 31.185 ( -2.191 0.000 7.990) 8.285 31.640 ( -2.357 0.000 -7.174) 7.551 32.190 ( -2.660 0.000 6.217) 6.762 32.310 ( -6.916 0.000 7.655) 10.317 32.319 ( -15.404 0.000 2.386) 15.587 32.687 ( -2.238 0.000 0.196) 2.246 33.115 ( -18.315 0.000 2.424) 18.475 33.361 ( -11.941 0.000 -6.663) 13.674 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 16.982 0.000 6.423) 18.156 1.685 ( 24.107 0.000 14.432) 28.097 2.191 ( 10.297 0.000 2.320) 10.555 2.320 ( 2.592 0.000 -2.701) 3.743 2.380 ( -0.687 0.000 0.175) 0.708 2.398 ( 1.046 0.000 1.849) 2.125 2.558 ( -1.067 0.000 -5.663) 5.763 2.583 ( -0.074 0.000 -1.320) 1.323 2.611 ( 1.039 0.000 1.487) 1.814 2.728 ( 9.563 0.000 7.993) 12.463 2.902 ( 3.347 0.000 4.813) 5.863 2.965 ( -4.441 0.000 -10.891) 11.761 3.207 ( -4.698 0.000 -5.122) 6.950 3.211 ( 10.652 0.000 7.724) 13.158 3.391 ( 7.449 0.000 -2.015) 7.717 3.415 ( -0.404 0.000 -4.094) 4.114 3.566 ( 18.553 0.000 1.640) 18.625 3.661 ( 12.285 0.000 1.595) 12.388 3.789 ( -2.921 0.000 -5.346) 6.092 3.943 ( 0.641 0.000 -2.221) 2.311 3.957 ( 4.906 0.000 -4.997) 7.003 4.039 ( -1.805 0.000 -0.589) 1.899 4.088 ( -2.468 0.000 3.900) 4.615 4.196 ( -0.575 0.000 -3.244) 3.294 4.565 ( 0.199 0.000 -3.586) 3.591 4.679 ( 2.246 0.000 -10.131) 10.377 4.886 ( 2.734 0.000 -0.504) 2.780 5.017 ( 2.953 0.000 4.949) 5.763 5.209 ( -3.894 0.000 3.418) 5.181 5.240 ( 14.770 0.000 -1.287) 14.826 5.513 ( -5.057 0.000 8.395) 9.800 5.577 ( 5.987 0.000 3.734) 7.056 5.698 ( 7.049 0.000 7.100) 10.005 5.795 ( 1.418 0.000 -0.091) 1.421 5.858 ( 10.904 0.000 -0.690) 10.926 5.919 ( -1.068 0.000 -1.502) 1.843 5.978 ( -4.282 0.000 -5.726) 7.150 6.242 ( 6.064 0.000 -5.887) 8.452 6.322 ( 4.030 0.000 2.154) 4.570 6.491 ( 7.152 0.000 -2.272) 7.504 6.619 ( -0.050 0.000 -1.893) 1.894 6.769 ( 3.368 0.000 3.268) 4.693 6.934 ( -2.049 0.000 5.321) 5.702 7.101 ( -3.137 0.000 4.505) 5.490 7.430 ( -5.545 0.000 1.832) 5.840 7.665 ( -5.028 0.000 0.411) 5.045 7.952 ( 2.619 0.000 1.186) 2.875 8.043 ( 7.471 0.000 -1.590) 7.638 8.048 ( 12.723 0.000 3.574) 13.216 8.389 ( -6.629 0.000 4.543) 8.036 8.676 ( 13.761 0.000 -5.879) 14.964 8.780 ( 5.134 0.000 -6.715) 8.453 9.313 ( 9.278 0.000 2.046) 9.501 9.446 ( 6.125 0.000 -4.486) 7.592 9.851 ( -1.688 0.000 2.122) 2.712 9.856 ( -1.811 0.000 0.339) 1.842 9.890 ( 6.613 0.000 3.245) 7.366 10.008 ( 6.580 0.000 2.633) 7.087 10.415 ( -3.924 0.000 1.315) 4.138 10.464 ( -2.863 0.000 3.164) 4.267 11.395 ( 6.475 0.000 -1.349) 6.614 11.416 ( 5.572 0.000 -1.119) 5.683 11.715 ( 1.196 0.000 0.649) 1.360 11.809 ( -1.373 0.000 -1.890) 2.336 12.591 ( -10.658 0.000 3.824) 11.323 12.925 ( 9.558 0.000 -3.278) 10.105 12.947 ( -11.403 0.000 -6.059) 12.912 12.984 ( 13.904 0.000 0.267) 13.906 13.292 ( -19.220 0.000 -2.924) 19.442 13.424 ( -23.748 0.000 0.192) 23.749 13.504 ( -23.569 0.000 -2.201) 23.671 13.508 ( -18.863 0.000 2.072) 18.976 14.366 ( -25.023 0.000 0.542) 25.029 14.382 ( -24.642 0.000 -1.369) 24.680 15.036 ( -11.061 0.000 -0.039) 11.061 15.106 ( -10.061 0.000 -1.994) 10.256 15.994 ( 35.561 0.000 -7.229) 36.288 16.011 ( 32.505 0.000 -2.152) 32.577 17.981 ( 33.837 0.000 0.284) 33.839 18.251 ( 29.006 0.000 -7.098) 29.862 19.141 ( -25.272 0.000 0.824) 25.285 19.147 ( -24.313 0.000 -1.324) 24.349 21.559 ( -9.310 0.000 0.435) 9.320 21.598 ( -8.935 0.000 -0.953) 8.985 22.337 ( 4.278 0.000 -0.564) 4.315 22.365 ( 4.394 0.000 2.726) 5.171 22.703 ( 13.804 0.000 7.318) 15.624 22.954 ( 10.168 0.000 2.895) 10.572 27.484 ( 0.360 0.000 -0.246) 0.436 27.497 ( 0.441 0.000 -0.181) 0.476 28.057 ( -7.409 0.000 1.129) 7.494 28.084 ( -7.044 0.000 0.143) 7.046 28.977 ( 28.504 0.000 -2.978) 28.659 29.078 ( 14.220 0.000 -1.157) 14.267 29.159 ( 15.447 0.000 1.048) 15.483 29.503 ( 32.220 0.000 -19.962) 37.902 29.739 ( 11.256 0.000 6.820) 13.161 29.952 ( 5.766 0.000 -2.308) 6.211 30.250 ( 7.453 0.000 -0.773) 7.493 30.477 ( 4.393 0.000 -9.179) 10.176 31.141 ( -2.252 0.000 7.672) 7.995 31.553 ( -5.779 0.000 -3.879) 6.960 31.996 ( -15.114 0.000 6.356) 16.396 32.062 ( -11.115 0.000 7.743) 13.547 32.157 ( -6.602 0.000 3.587) 7.514 32.601 ( -6.245 0.000 -1.379) 6.395 32.713 ( -18.759 0.000 4.583) 19.310 33.049 ( -17.050 0.000 -6.951) 18.412 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 17.472 0.000 -6.135) 18.518 2.136 ( 13.427 0.000 6.260) 14.814 2.325 ( -4.144 0.000 1.739) 4.494 2.329 ( 3.044 0.000 -4.229) 5.211 2.356 ( -0.513 0.000 -0.248) 0.570 2.381 ( 6.275 0.000 -0.356) 6.285 2.548 ( -1.714 0.000 1.665) 2.389 2.567 ( 1.998 0.000 -6.705) 6.997 2.657 ( 1.682 0.000 1.313) 2.134 2.796 ( -1.237 0.000 6.674) 6.788 2.921 ( 2.450 0.000 -4.176) 4.842 3.044 ( 8.208 0.000 6.642) 10.559 3.169 ( 1.628 0.000 -4.129) 4.439 3.279 ( -3.253 0.000 -6.087) 6.902 3.439 ( 5.368 0.000 -0.625) 5.405 3.491 ( 4.275 0.000 -3.992) 5.849 3.749 ( -1.308 0.000 -3.779) 3.999 3.761 ( -4.839 0.000 5.167) 7.079 3.803 ( 1.573 0.000 1.776) 2.372 3.881 ( -3.958 0.000 2.493) 4.678 4.040 ( 0.269 0.000 -0.265) 0.378 4.105 ( 0.368 0.000 -1.826) 1.862 4.142 ( 7.104 0.000 -5.215) 8.812 4.238 ( 5.473 0.000 8.992) 10.526 4.717 ( 15.009 0.000 -1.577) 15.091 4.776 ( 9.692 0.000 -6.268) 11.542 4.863 ( -5.779 0.000 -2.518) 6.304 4.991 ( -2.467 0.000 3.897) 4.612 5.005 ( -12.326 0.000 2.512) 12.580 5.305 ( -7.544 0.000 -0.242) 7.547 5.522 ( 5.321 0.000 5.741) 7.828 5.703 ( 3.401 0.000 0.849) 3.505 5.795 ( 1.583 0.000 -1.836) 2.425 5.842 ( 1.988 0.000 -0.741) 2.121 5.923 ( 2.261 0.000 1.518) 2.724 5.949 ( 5.026 0.000 2.782) 5.744 6.100 ( 3.349 0.000 4.755) 5.815 6.300 ( 0.036 0.000 -8.860) 8.860 6.461 ( 5.761 0.000 6.200) 8.463 6.671 ( 6.230 0.000 -0.149) 6.231 6.746 ( 14.651 0.000 -3.028) 14.960 6.872 ( 6.326 0.000 3.778) 7.368 6.986 ( 9.355 0.000 -1.841) 9.535 7.092 ( 3.103 0.000 2.210) 3.810 7.384 ( 1.792 0.000 -3.404) 3.847 7.538 ( -6.582 0.000 -1.735) 6.807 8.073 ( 7.162 0.000 7.339) 10.254 8.208 ( -0.748 0.000 5.370) 5.422 8.314 ( 7.993 0.000 -1.166) 8.078 8.345 ( 15.949 0.000 -0.827) 15.971 8.887 ( 6.438 0.000 -10.191) 12.055 8.956 ( 12.566 0.000 -7.618) 14.695 9.489 ( 6.455 0.000 3.272) 7.237 9.586 ( 6.908 0.000 -1.360) 7.040 9.841 ( -0.357 0.000 0.579) 0.680 9.842 ( 0.975 0.000 -0.546) 1.118 10.034 ( 9.039 0.000 -1.976) 9.252 10.089 ( 3.644 0.000 -1.940) 4.128 10.414 ( 4.249 0.000 5.662) 7.079 10.526 ( 8.827 0.000 8.326) 12.135 11.558 ( 7.714 0.000 -1.084) 7.790 11.562 ( 7.742 0.000 -0.082) 7.743 11.742 ( 0.759 0.000 4.592) 4.655 11.789 ( -0.210 0.000 0.324) 0.386 12.306 ( -17.438 0.000 2.820) 17.665 12.563 ( -19.255 0.000 -6.787) 20.416 12.739 ( -29.449 0.000 0.262) 29.450 12.743 ( -29.377 0.000 1.019) 29.395 12.971 ( -14.879 0.000 -3.133) 15.206 13.090 ( -19.445 0.000 0.596) 19.454 13.303 ( 1.484 0.000 -2.969) 3.319 13.334 ( 1.723 0.000 0.387) 1.766 13.876 ( -15.689 0.000 0.176) 15.690 13.887 ( -17.150 0.000 -0.576) 17.160 14.793 ( -12.474 0.000 0.074) 12.475 14.861 ( -13.299 0.000 -1.356) 13.368 16.684 ( 31.516 0.000 -2.605) 31.623 16.712 ( 33.068 0.000 -8.456) 34.132 18.550 ( -13.114 0.000 -0.563) 13.126 18.557 ( -6.164 0.000 0.783) 6.214 18.811 ( 20.683 0.000 -0.087) 20.683 19.017 ( 24.824 0.000 -5.408) 25.406 21.281 ( -18.002 0.000 0.734) 18.017 21.327 ( -17.410 0.000 -0.968) 17.437 22.435 ( 6.180 0.000 0.102) 6.180 22.481 ( 7.022 0.000 1.364) 7.153 22.920 ( 5.844 0.000 5.686) 8.154 23.081 ( 1.684 0.000 2.794) 3.262 27.502 ( 1.484 0.000 -0.264) 1.507 27.516 ( 1.514 0.000 -0.201) 1.527 27.901 ( -7.578 0.000 0.957) 7.638 27.929 ( -7.851 0.000 0.029) 7.851 29.387 ( 15.276 0.000 -1.425) 15.342 29.424 ( 15.481 0.000 -2.851) 15.742 29.613 ( 25.604 0.000 0.208) 25.605 29.956 ( 9.489 0.000 3.573) 10.139 30.045 ( 14.855 0.000 -6.060) 16.044 30.075 ( 12.149 0.000 -11.496) 16.725 30.439 ( 10.507 0.000 1.941) 10.685 30.591 ( 7.303 0.000 -4.635) 8.650 31.105 ( -1.575 0.000 7.274) 7.442 31.407 ( -7.966 0.000 -0.834) 8.009 31.719 ( -12.297 0.000 4.794) 13.198 31.777 ( -15.716 0.000 5.043) 16.506 32.044 ( -4.378 0.000 2.369) 4.978 32.368 ( -12.701 0.000 -2.023) 12.861 32.465 ( -8.247 0.000 2.416) 8.593 32.691 ( -16.801 0.000 -5.551) 17.695 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 6.142 0.000 -7.149) 9.425 2.184 ( -2.482 0.000 -0.247) 2.495 2.290 ( 0.021 0.000 4.516) 4.516 2.308 ( -1.604 0.000 -0.196) 1.616 2.362 ( 1.346 0.000 -2.494) 2.834 2.482 ( -1.540 0.000 -0.709) 1.696 2.539 ( -0.759 0.000 6.107) 6.154 2.671 ( 6.476 0.000 -8.144) 10.405 2.769 ( -0.412 0.000 5.343) 5.359 2.815 ( 11.280 0.000 -0.083) 11.280 3.004 ( 7.104 0.000 -0.194) 7.106 3.132 ( -1.200 0.000 -1.583) 1.987 3.231 ( 2.254 0.000 -4.777) 5.282 3.277 ( 6.494 0.000 -1.747) 6.725 3.554 ( -1.615 0.000 8.185) 8.343 3.558 ( -0.171 0.000 -1.025) 1.039 3.647 ( 2.020 0.000 0.099) 2.023 3.676 ( -2.424 0.000 -3.260) 4.063 3.794 ( -4.586 0.000 -1.498) 4.824 3.852 ( 1.560 0.000 1.640) 2.263 3.919 ( -9.796 0.000 -6.434) 11.720 4.037 ( -3.557 0.000 -2.317) 4.245 4.268 ( -5.248 0.000 5.467) 7.578 4.278 ( 5.914 0.000 -3.483) 6.863 4.646 ( -9.524 0.000 2.523) 9.852 4.875 ( -0.225 0.000 8.054) 8.058 4.929 ( 1.159 0.000 -0.077) 1.162 5.022 ( 7.307 0.000 -2.811) 7.829 5.024 ( 11.217 0.000 -3.178) 11.658 5.259 ( 4.416 0.000 6.940) 8.226 5.579 ( 0.217 0.000 0.779) 0.809 5.711 ( -1.779 0.000 -0.486) 1.844 5.763 ( -2.053 0.000 -3.625) 4.166 5.884 ( 2.288 0.000 -3.661) 4.317 6.010 ( -0.517 0.000 0.978) 1.106 6.056 ( -1.848 0.000 6.025) 6.302 6.063 ( 4.506 0.000 0.061) 4.506 6.286 ( -0.760 0.000 -7.122) 7.163 6.587 ( 7.751 0.000 7.085) 10.501 6.685 ( -2.024 0.000 2.893) 3.531 6.923 ( 4.549 0.000 -0.179) 4.553 7.006 ( 6.165 0.000 1.965) 6.470 7.157 ( 0.441 0.000 -0.352) 0.564 7.237 ( -1.208 0.000 1.718) 2.101 7.503 ( 8.312 0.000 -2.866) 8.793 7.522 ( 12.639 0.000 -7.657) 14.777 8.080 ( -7.640 0.000 5.448) 9.384 8.146 ( -1.839 0.000 6.670) 6.919 8.602 ( 14.046 0.000 -1.846) 14.167 8.664 ( 13.624 0.000 -3.081) 13.968 9.063 ( 9.663 0.000 -11.864) 15.301 9.140 ( 4.635 0.000 -9.203) 10.304 9.570 ( 2.410 0.000 4.362) 4.984 9.686 ( 2.178 0.000 1.927) 2.908 9.837 ( -1.576 0.000 -0.113) 1.580 9.839 ( 0.575 0.000 -0.833) 1.012 10.336 ( 21.410 0.000 -2.142) 21.516 10.344 ( 22.303 0.000 -2.070) 22.399 10.578 ( 10.566 0.000 6.292) 12.298 10.769 ( 12.646 0.000 6.342) 14.147 11.604 ( -6.291 0.000 3.729) 7.313 11.634 ( -17.879 0.000 6.938) 19.178 11.635 ( -10.257 0.000 0.898) 10.297 11.731 ( -15.935 0.000 10.091) 18.862 11.910 ( -2.551 0.000 -2.537) 3.598 12.182 ( -6.797 0.000 -2.187) 7.140 12.337 ( -5.658 0.000 -1.250) 5.795 12.370 ( -5.152 0.000 -5.567) 7.586 12.638 ( -16.064 0.000 -2.516) 16.260 12.679 ( -19.994 0.000 0.807) 20.011 13.025 ( -20.855 0.000 -3.696) 21.180 13.030 ( -22.225 0.000 -0.072) 22.225 13.926 ( 13.812 0.000 -0.240) 13.815 13.945 ( 13.821 0.000 -0.329) 13.825 14.523 ( -13.828 0.000 -0.070) 13.828 14.567 ( -15.143 0.000 -0.767) 15.162 17.275 ( 25.941 0.000 -2.553) 26.066 17.321 ( 26.478 0.000 -6.538) 27.273 18.168 ( -20.854 0.000 -0.818) 20.870 18.186 ( -18.585 0.000 -2.182) 18.713 19.513 ( 35.825 0.000 1.219) 35.845 19.655 ( 32.883 0.000 -2.680) 32.992 20.822 ( -26.472 0.000 1.164) 26.498 20.886 ( -25.330 0.000 -0.946) 25.347 22.597 ( 9.267 0.000 0.666) 9.291 22.656 ( 9.729 0.000 0.562) 9.745 22.944 ( -3.224 0.000 3.523) 4.775 23.032 ( -6.081 0.000 1.311) 6.221 27.548 ( 3.083 0.000 -0.181) 3.088 27.563 ( 3.158 0.000 -0.199) 3.164 27.754 ( -6.585 0.000 0.555) 6.608 27.772 ( -7.141 0.000 -0.148) 7.143 29.671 ( 11.487 0.000 -2.412) 11.737 29.685 ( 9.455 0.000 -2.378) 9.749 29.968 ( 6.494 0.000 0.559) 6.518 30.095 ( -0.818 0.000 -0.830) 1.165 30.217 ( 17.736 0.000 1.371) 17.789 30.449 ( 16.061 0.000 -10.075) 18.960 30.639 ( 6.667 0.000 2.566) 7.144 30.765 ( 8.422 0.000 -1.449) 8.546 31.078 ( -0.926 0.000 6.078) 6.149 31.244 ( -6.970 0.000 -0.537) 6.991 31.458 ( -14.715 0.000 3.254) 15.070 31.487 ( -10.265 0.000 3.391) 10.811 32.012 ( 2.084 0.000 1.105) 2.359 32.184 ( -5.018 0.000 -2.107) 5.442 32.300 ( -7.371 0.000 0.196) 7.374 32.371 ( -13.876 0.000 -3.055) 14.208 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -4.805 0.000 -1.931) 5.178 2.085 ( -7.342 0.000 -2.247) 7.679 2.240 ( -0.283 0.000 2.831) 2.845 2.375 ( 3.551 0.000 4.555) 5.776 2.398 ( 1.405 0.000 2.199) 2.610 2.468 ( 1.876 0.000 -1.914) 2.680 2.489 ( -3.547 0.000 4.941) 6.082 2.773 ( -0.844 0.000 1.302) 1.552 2.813 ( 4.413 0.000 -9.455) 10.435 2.819 ( -3.220 0.000 -2.124) 3.858 3.133 ( -7.333 0.000 -4.134) 8.419 3.148 ( 2.640 0.000 -4.859) 5.530 3.287 ( 8.582 0.000 2.835) 9.038 3.324 ( -10.424 0.000 0.022) 10.424 3.474 ( -2.392 0.000 8.541) 8.869 3.540 ( -7.889 0.000 -4.959) 9.319 3.566 ( 3.732 0.000 -1.062) 3.880 3.620 ( -4.226 0.000 -3.307) 5.366 3.770 ( 4.856 0.000 -0.058) 4.857 3.865 ( 4.433 0.000 -1.632) 4.724 3.867 ( -2.259 0.000 -0.354) 2.287 3.961 ( -4.126 0.000 -0.589) 4.168 4.198 ( 4.144 0.000 4.249) 5.935 4.391 ( 5.033 0.000 -3.821) 6.320 4.552 ( -1.377 0.000 7.408) 7.535 4.947 ( 0.280 0.000 -3.717) 3.728 4.992 ( 10.526 0.000 4.570) 11.476 5.111 ( 2.094 0.000 -6.231) 6.573 5.205 ( 6.725 0.000 0.992) 6.797 5.380 ( 1.290 0.000 9.173) 9.263 5.579 ( 4.047 0.000 0.039) 4.047 5.650 ( -3.717 0.000 -1.917) 4.183 5.728 ( -2.451 0.000 0.733) 2.558 5.899 ( -1.715 0.000 -5.032) 5.316 5.901 ( -4.004 0.000 -0.697) 4.064 6.083 ( 0.607 0.000 2.251) 2.331 6.159 ( 6.160 0.000 -2.543) 6.664 6.241 ( -3.329 0.000 -7.330) 8.050 6.675 ( 0.852 0.000 7.018) 7.070 6.767 ( 7.581 0.000 4.391) 8.761 6.986 ( 0.377 0.000 2.423) 2.452 7.048 ( -10.975 0.000 1.741) 11.112 7.079 ( -7.192 0.000 -1.013) 7.263 7.123 ( 3.924 0.000 1.068) 4.067 7.620 ( 0.550 0.000 0.524) 0.759 7.688 ( -4.216 0.000 -3.954) 5.780 8.017 ( 4.881 0.000 1.982) 5.268 8.034 ( -6.549 0.000 1.816) 6.797 8.782 ( 2.012 0.000 -1.743) 2.662 8.873 ( 6.706 0.000 -5.010) 8.371 9.130 ( -4.123 0.000 -7.602) 8.648 9.137 ( -3.561 0.000 -8.132) 8.878 9.615 ( 0.010 0.000 3.011) 3.011 9.705 ( -1.028 0.000 0.246) 1.057 9.786 ( -2.397 0.000 1.370) 2.761 9.830 ( -1.390 0.000 0.007) 1.390 10.767 ( -1.027 0.000 1.792) 2.065 10.835 ( -19.844 0.000 0.442) 19.849 10.853 ( 7.217 0.000 0.719) 7.252 10.865 ( 20.778 0.000 -1.129) 20.809 11.098 ( 0.349 0.000 3.801) 3.817 11.164 ( -1.319 0.000 2.858) 3.148 11.557 ( 4.750 0.000 11.605) 12.540 11.585 ( -2.595 0.000 10.616) 10.929 12.107 ( 9.927 0.000 -0.940) 9.972 12.169 ( -6.989 0.000 -2.723) 7.501 12.316 ( -9.035 0.000 1.161) 9.109 12.347 ( -9.223 0.000 -2.086) 9.455 12.387 ( 2.332 0.000 -0.929) 2.510 12.437 ( 11.025 0.000 -3.129) 11.460 12.689 ( -5.264 0.000 -2.826) 5.975 12.798 ( 4.090 0.000 -3.928) 5.670 14.186 ( -6.237 0.000 0.246) 6.242 14.198 ( -2.860 0.000 0.013) 2.860 14.289 ( 2.534 0.000 -1.025) 2.734 14.290 ( 6.114 0.000 -0.613) 6.145 17.704 ( -11.325 0.000 -2.250) 11.546 17.764 ( -4.023 0.000 -4.274) 5.869 17.774 ( 9.828 0.000 -1.602) 9.957 17.834 ( 5.412 0.000 -3.741) 6.579 20.174 ( -6.416 0.000 1.516) 6.592 20.250 ( 5.430 0.000 1.385) 5.604 20.289 ( -18.288 0.000 -1.669) 18.364 20.320 ( 17.155 0.000 -0.774) 17.172 22.770 ( 1.180 0.000 2.002) 2.324 22.845 ( -0.187 0.000 1.524) 1.535 22.851 ( -4.434 0.000 1.151) 4.581 22.871 ( 4.242 0.000 -0.550) 4.278 27.631 ( 4.984 0.000 0.069) 4.985 27.636 ( -4.865 0.000 0.210) 4.870 27.637 ( -2.343 0.000 -0.283) 2.360 27.654 ( 2.202 0.000 -0.188) 2.210 29.764 ( -2.502 0.000 -2.011) 3.210 29.794 ( -1.410 0.000 -2.882) 3.208 30.029 ( 1.516 0.000 0.853) 1.739 30.071 ( 0.368 0.000 -0.312) 0.483 30.529 ( 3.948 0.000 0.490) 3.978 30.612 ( -3.454 0.000 2.025) 4.004 30.702 ( 7.123 0.000 -5.376) 8.924 30.799 ( -6.354 0.000 -5.121) 8.161 31.130 ( 1.426 0.000 5.277) 5.466 31.221 ( -3.237 0.000 2.910) 4.353 31.226 ( 6.383 0.000 3.458) 7.259 31.327 ( -3.781 0.000 1.411) 4.035 32.134 ( -7.238 0.000 -0.661) 7.268 32.146 ( 0.168 0.000 -1.293) 1.303 32.150 ( 9.727 0.000 -0.333) 9.733 32.193 ( -1.549 0.000 -1.857) 2.418 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -8.653 0.000 -4.560) 9.781 1.913 ( -10.335 0.000 -2.351) 10.599 2.292 ( 3.718 0.000 2.402) 4.427 2.369 ( -5.619 0.000 3.216) 6.474 2.419 ( 0.658 0.000 2.886) 2.960 2.478 ( 2.946 0.000 7.674) 8.220 2.499 ( -3.256 0.000 2.371) 4.028 2.646 ( -8.418 0.000 -8.713) 12.115 2.728 ( -3.273 0.000 -0.919) 3.400 2.898 ( -7.344 0.000 2.315) 7.700 2.908 ( -17.158 0.000 -9.527) 19.626 2.990 ( 4.850 0.000 -7.363) 8.817 3.214 ( 0.061 0.000 5.943) 5.943 3.294 ( -3.608 0.000 1.208) 3.805 3.397 ( -4.713 0.000 4.274) 6.362 3.583 ( 5.271 0.000 2.040) 5.652 3.607 ( 0.581 0.000 0.603) 0.837 3.649 ( 0.489 0.000 0.245) 0.547 3.754 ( -0.297 0.000 1.489) 1.519 3.875 ( 5.687 0.000 -1.411) 5.860 3.998 ( 6.399 0.000 -2.776) 6.975 4.067 ( 9.733 0.000 -5.534) 11.196 4.256 ( -2.165 0.000 3.012) 3.709 4.438 ( -1.463 0.000 -2.223) 2.661 4.592 ( 5.373 0.000 5.776) 7.889 4.932 ( -1.293 0.000 -5.896) 6.036 5.113 ( -2.412 0.000 -4.751) 5.328 5.236 ( 10.134 0.000 -6.573) 12.079 5.293 ( -5.022 0.000 -1.766) 5.323 5.336 ( 7.735 0.000 10.338) 12.911 5.564 ( -4.902 0.000 -2.116) 5.339 5.666 ( -2.025 0.000 2.854) 3.500 5.751 ( 7.001 0.000 6.443) 9.514 5.814 ( -5.377 0.000 -3.989) 6.695 5.849 ( -2.837 0.000 3.440) 4.459 6.105 ( 2.471 0.000 -3.799) 4.532 6.174 ( -2.156 0.000 -5.936) 6.316 6.316 ( 8.325 0.000 -3.476) 9.021 6.630 ( -17.407 0.000 8.306) 19.287 6.653 ( -7.729 0.000 9.334) 12.119 6.867 ( -8.837 0.000 -2.221) 9.112 6.984 ( -0.660 0.000 0.585) 0.882 7.017 ( 4.132 0.000 1.357) 4.349 7.146 ( -5.836 0.000 3.631) 6.874 7.478 ( -9.553 0.000 -4.227) 10.446 7.478 ( -11.378 0.000 -3.184) 11.815 7.988 ( 1.041 0.000 3.889) 4.026 8.152 ( 5.189 0.000 2.962) 5.975 8.677 ( -10.668 0.000 -2.010) 10.855 8.848 ( -12.902 0.000 -6.003) 14.230 8.988 ( -9.563 0.000 -8.529) 12.814 9.018 ( -2.032 0.000 -6.949) 7.240 9.482 ( -10.511 0.000 5.748) 11.980 9.579 ( -9.670 0.000 2.518) 9.992 9.829 ( 4.897 0.000 0.740) 4.953 9.842 ( 2.029 0.000 0.016) 2.029 10.291 ( -23.603 0.000 -0.563) 23.610 10.299 ( -22.552 0.000 1.221) 22.585 10.821 ( -11.075 0.000 1.230) 11.143 10.823 ( -6.461 0.000 2.829) 7.053 11.552 ( 11.078 0.000 1.836) 11.229 11.617 ( 21.820 0.000 5.655) 22.541 11.686 ( 4.548 0.000 4.356) 6.298 11.856 ( 20.282 0.000 8.618) 22.036 12.026 ( -2.457 0.000 -5.423) 5.954 12.115 ( 6.854 0.000 2.492) 7.293 12.243 ( 8.964 0.000 -2.155) 9.219 12.246 ( 1.049 0.000 -3.736) 3.881 12.599 ( 16.679 0.000 -0.497) 16.687 12.788 ( 18.713 0.000 -1.904) 18.809 12.909 ( 20.170 0.000 -1.887) 20.258 13.102 ( 21.285 0.000 -2.214) 21.400 13.906 ( -13.973 0.000 0.219) 13.975 13.910 ( -12.828 0.000 -0.271) 12.831 14.559 ( 13.548 0.000 0.114) 13.548 14.573 ( 14.758 0.000 -1.484) 14.832 17.211 ( -27.112 0.000 -2.860) 27.262 17.345 ( -23.402 0.000 -6.129) 24.191 18.167 ( 19.064 0.000 -1.239) 19.104 18.216 ( 18.894 0.000 -1.967) 18.997 19.485 ( -36.164 0.000 1.636) 36.201 19.598 ( -35.425 0.000 -1.651) 35.463 20.818 ( 25.699 0.000 1.141) 25.725 20.889 ( 25.038 0.000 -0.816) 25.052 22.618 ( -8.930 0.000 1.430) 9.044 22.636 ( -10.610 0.000 -1.075) 10.664 22.967 ( 4.721 0.000 3.053) 5.622 23.041 ( 6.157 0.000 1.967) 6.464 27.552 ( -3.255 0.000 -0.366) 3.276 27.555 ( -2.989 0.000 0.008) 2.989 27.752 ( 6.711 0.000 0.483) 6.729 27.778 ( 7.188 0.000 -0.126) 7.189 29.607 ( -11.504 0.000 -1.614) 11.617 29.631 ( -12.286 0.000 -1.377) 12.363 30.008 ( -5.916 0.000 1.521) 6.108 30.087 ( -0.833 0.000 -2.090) 2.250 30.226 ( -18.999 0.000 -0.409) 19.003 30.512 ( -16.211 0.000 -10.396) 19.258 30.670 ( -3.902 0.000 1.864) 4.324 30.760 ( -4.262 0.000 -1.126) 4.408 31.052 ( -0.119 0.000 5.412) 5.414 31.346 ( 7.090 0.000 -0.520) 7.109 31.404 ( 12.278 0.000 3.135) 12.672 31.454 ( 12.294 0.000 5.112) 13.315 32.041 ( -0.535 0.000 1.771) 1.850 32.162 ( 3.050 0.000 -3.058) 4.319 32.266 ( 6.965 0.000 -0.491) 6.983 32.434 ( 16.132 0.000 -2.504) 16.325 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -18.815 0.000 0.039) 18.815 1.794 ( -0.776 0.000 -0.695) 1.041 2.159 ( -23.557 0.000 1.373) 23.596 2.237 ( -3.757 0.000 3.536) 5.159 2.367 ( 0.839 0.000 -0.105) 0.846 2.481 ( -3.646 0.000 -5.406) 6.520 2.503 ( 0.024 0.000 5.248) 5.248 2.510 ( 2.020 0.000 3.909) 4.400 2.676 ( -0.257 0.000 0.452) 0.520 2.726 ( -3.550 0.000 -4.529) 5.755 2.831 ( -0.109 0.000 5.463) 5.465 3.107 ( 4.859 0.000 -9.280) 10.475 3.213 ( 0.004 0.000 9.252) 9.252 3.294 ( -4.373 0.000 -3.039) 5.326 3.301 ( 3.713 0.000 -1.839) 4.143 3.524 ( -5.130 0.000 -1.560) 5.362 3.635 ( -2.726 0.000 4.540) 5.295 3.672 ( 2.146 0.000 1.028) 2.379 3.828 ( 3.720 0.000 -1.694) 4.088 3.964 ( 2.293 0.000 -4.172) 4.760 4.088 ( 2.515 0.000 -2.594) 3.613 4.122 ( -8.800 0.000 0.793) 8.836 4.266 ( 8.040 0.000 -4.178) 9.061 4.307 ( -11.782 0.000 1.508) 11.878 4.724 ( 5.271 0.000 2.171) 5.701 4.853 ( -7.895 0.000 -0.069) 7.896 5.061 ( 1.150 0.000 -0.769) 1.383 5.166 ( -11.812 0.000 -11.256) 16.316 5.314 ( -0.432 0.000 1.641) 1.697 5.381 ( -14.988 0.000 -3.161) 15.318 5.560 ( 9.897 0.000 0.735) 9.924 5.648 ( -0.517 0.000 3.847) 3.882 5.706 ( -3.460 0.000 4.662) 5.805 5.711 ( -4.151 0.000 0.512) 4.182 5.886 ( 0.893 0.000 4.776) 4.859 6.143 ( -0.159 0.000 -7.359) 7.361 6.146 ( -0.823 0.000 -6.456) 6.508 6.323 ( -9.765 0.000 4.977) 10.960 6.375 ( -4.021 0.000 12.444) 13.077 6.515 ( 3.261 0.000 0.341) 3.279 6.757 ( -17.552 0.000 -5.974) 18.541 6.832 ( -6.158 0.000 4.431) 7.587 6.876 ( -10.929 0.000 7.396) 13.196 6.977 ( -7.411 0.000 -2.936) 7.971 7.422 ( 7.385 0.000 -3.919) 8.361 7.428 ( 2.304 0.000 -0.776) 2.432 7.988 ( -2.495 0.000 5.477) 6.018 8.160 ( -6.263 0.000 4.153) 7.515 8.461 ( -6.674 0.000 -3.633) 7.598 8.541 ( -12.456 0.000 -2.408) 12.686 8.771 ( -9.329 0.000 -6.788) 11.537 8.969 ( -3.388 0.000 -9.861) 10.427 9.276 ( -9.491 0.000 5.948) 11.201 9.384 ( -8.541 0.000 4.749) 9.773 9.873 ( -0.645 0.000 -1.011) 1.199 9.874 ( -4.763 0.000 -1.375) 4.958 9.986 ( -3.168 0.000 1.243) 3.403 9.995 ( -6.855 0.000 3.235) 7.580 10.617 ( -7.350 0.000 2.678) 7.823 10.668 ( -6.664 0.000 2.943) 7.285 11.470 ( -10.047 0.000 0.703) 10.071 11.537 ( -10.816 0.000 -0.044) 10.816 11.972 ( -2.065 0.000 -5.742) 6.102 12.046 ( 14.309 0.000 6.105) 15.557 12.110 ( 2.908 0.000 -3.258) 4.367 12.312 ( 21.074 0.000 2.835) 21.263 12.749 ( 29.682 0.000 1.103) 29.703 12.763 ( 30.499 0.000 0.367) 30.502 12.928 ( 15.621 0.000 -1.652) 15.708 13.143 ( 13.632 0.000 -1.084) 13.675 13.208 ( 2.440 0.000 -0.939) 2.614 13.383 ( 1.379 0.000 -2.410) 2.776 13.861 ( 14.384 0.000 -0.158) 14.385 13.893 ( 19.872 0.000 -0.033) 19.872 14.822 ( 11.996 0.000 0.450) 12.004 14.859 ( 12.958 0.000 -2.221) 13.147 16.602 ( -31.689 0.000 -3.415) 31.872 16.806 ( -28.998 0.000 -8.962) 30.351 18.501 ( 2.547 0.000 0.656) 2.630 18.542 ( 3.124 0.000 1.368) 3.411 18.806 ( -17.941 0.000 0.496) 17.948 18.928 ( -18.833 0.000 -4.126) 19.279 21.267 ( 17.814 0.000 0.799) 17.832 21.328 ( 17.465 0.000 -0.649) 17.477 22.439 ( -8.185 0.000 -0.867) 8.231 22.459 ( -6.217 0.000 1.347) 6.361 22.978 ( -4.549 0.000 5.023) 6.776 23.091 ( -1.909 0.000 3.211) 3.735 27.505 ( -1.475 0.000 -0.380) 1.523 27.511 ( -1.456 0.000 -0.081) 1.458 27.902 ( 7.673 0.000 0.911) 7.727 27.938 ( 8.173 0.000 -0.066) 8.174 29.322 ( -15.712 0.000 -1.734) 15.807 29.338 ( -15.398 0.000 -0.661) 15.413 29.641 ( -26.098 0.000 1.293) 26.130 29.943 ( -16.619 0.000 -10.468) 19.641 29.962 ( -9.621 0.000 2.343) 9.902 30.181 ( -11.923 0.000 -7.740) 14.215 30.493 ( -10.593 0.000 -0.202) 10.595 30.625 ( -7.209 0.000 -2.439) 7.610 31.111 ( 3.552 0.000 7.380) 8.190 31.484 ( 5.465 0.000 -4.426) 7.033 31.664 ( 12.454 0.000 3.262) 12.874 31.793 ( 20.555 0.000 9.033) 22.452 32.103 ( 5.809 0.000 3.932) 7.014 32.273 ( 7.292 0.000 -3.681) 8.169 32.442 ( 9.612 0.000 0.766) 9.643 32.786 ( 17.773 0.000 -4.626) 18.365 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -13.837 0.000 12.798) 18.848 1.636 ( -24.862 0.000 11.324) 27.320 1.868 ( 4.576 0.000 7.578) 8.853 2.154 ( -7.212 0.000 9.561) 11.976 2.380 ( 0.964 0.000 -1.958) 2.183 2.412 ( 0.653 0.000 -12.957) 12.974 2.512 ( -2.145 0.000 3.207) 3.858 2.618 ( -3.868 0.000 -0.889) 3.969 2.625 ( 6.397 0.000 6.946) 9.443 2.675 ( -2.629 0.000 -0.891) 2.776 2.833 ( -0.718 0.000 4.582) 4.638 3.167 ( 0.291 0.000 -8.998) 9.003 3.211 ( -1.720 0.000 -3.354) 3.770 3.263 ( 1.759 0.000 4.667) 4.988 3.288 ( -6.723 0.000 -4.177) 7.915 3.431 ( -7.950 0.000 4.132) 8.960 3.579 ( 1.547 0.000 -7.111) 7.277 3.662 ( -2.883 0.000 -1.852) 3.427 3.842 ( -5.356 0.000 -4.440) 6.957 3.933 ( -11.621 0.000 1.827) 11.763 3.950 ( -11.694 0.000 -7.884) 14.103 3.975 ( -1.815 0.000 4.696) 5.034 4.152 ( 1.500 0.000 0.063) 1.501 4.331 ( -3.035 0.000 -2.734) 4.085 4.561 ( -17.767 0.000 -2.791) 17.984 4.689 ( -11.659 0.000 -6.990) 13.594 4.915 ( -3.669 0.000 -0.647) 3.725 5.038 ( -9.156 0.000 -0.448) 9.167 5.190 ( 6.261 0.000 0.801) 6.312 5.292 ( -0.767 0.000 6.032) 6.080 5.612 ( -1.213 0.000 -2.607) 2.875 5.624 ( -1.764 0.000 4.556) 4.885 5.701 ( 0.060 0.000 0.947) 0.949 5.709 ( 0.601 0.000 3.394) 3.447 5.824 ( -5.735 0.000 1.079) 5.835 6.077 ( -5.256 0.000 -7.604) 9.243 6.145 ( -8.517 0.000 -4.359) 9.567 6.206 ( -7.104 0.000 -7.358) 10.228 6.279 ( -0.728 0.000 5.513) 5.561 6.444 ( 4.378 0.000 7.036) 8.287 6.641 ( -5.293 0.000 9.592) 10.956 6.687 ( 4.120 0.000 -4.404) 6.031 6.845 ( 3.756 0.000 4.867) 6.148 6.863 ( -3.391 0.000 5.059) 6.090 7.496 ( 3.923 0.000 3.259) 5.100 7.620 ( 9.320 0.000 -3.098) 9.822 7.913 ( -3.697 0.000 3.275) 4.939 7.993 ( -6.436 0.000 -0.723) 6.476 8.343 ( -8.688 0.000 0.779) 8.723 8.368 ( -4.572 0.000 -2.998) 5.467 8.652 ( -1.848 0.000 -2.192) 2.867 8.886 ( -3.920 0.000 -8.131) 9.027 9.098 ( -7.781 0.000 3.745) 8.636 9.251 ( -4.244 0.000 2.021) 4.701 9.782 ( -1.645 0.000 1.458) 2.198 9.793 ( -5.252 0.000 4.350) 6.820 9.952 ( -3.420 0.000 2.293) 4.118 9.975 ( 1.744 0.000 1.470) 2.281 10.550 ( 0.222 0.000 0.819) 0.849 10.596 ( -0.432 0.000 1.034) 1.121 11.299 ( -5.128 0.000 0.917) 5.210 11.350 ( -6.181 0.000 -1.099) 6.278 11.912 ( -3.792 0.000 -5.943) 7.049 12.014 ( -4.303 0.000 -5.354) 6.869 12.450 ( 15.742 0.000 5.948) 16.828 12.651 ( 8.348 0.000 1.412) 8.467 12.866 ( -13.131 0.000 -0.303) 13.135 12.971 ( -7.214 0.000 -0.658) 7.244 13.259 ( 15.598 0.000 -1.531) 15.673 13.481 ( 25.501 0.000 -0.293) 25.503 13.490 ( 25.047 0.000 0.556) 25.053 13.655 ( 21.099 0.000 -4.672) 21.610 14.330 ( 24.738 0.000 -0.288) 24.740 14.419 ( 25.706 0.000 -0.480) 25.711 15.050 ( 9.992 0.000 0.431) 10.001 15.098 ( 10.211 0.000 -2.952) 10.629 15.945 ( -30.296 0.000 -2.821) 30.428 16.140 ( -35.209 0.000 -10.460) 36.730 17.969 ( -31.696 0.000 1.765) 31.745 18.024 ( -33.110 0.000 -0.890) 33.122 19.093 ( 23.889 0.000 0.321) 23.891 19.192 ( 25.343 0.000 -1.408) 25.382 21.547 ( 9.421 0.000 0.492) 9.434 21.602 ( 9.250 0.000 -0.579) 9.268 22.306 ( -4.793 0.000 0.248) 4.799 22.364 ( -3.522 0.000 1.169) 3.711 22.779 ( -14.407 0.000 6.384) 15.759 22.958 ( -10.796 0.000 3.113) 11.236 27.487 ( -0.303 0.000 -0.345) 0.460 27.492 ( -0.462 0.000 -0.116) 0.477 28.060 ( 7.438 0.000 1.060) 7.513 28.101 ( 7.307 0.000 -0.039) 7.307 28.939 ( -23.472 0.000 -1.687) 23.532 29.022 ( -15.189 0.000 -1.933) 15.312 29.131 ( -19.239 0.000 1.708) 19.314 29.412 ( -31.240 0.000 -17.025) 35.578 29.743 ( -11.528 0.000 6.113) 13.049 30.008 ( -6.727 0.000 -3.520) 7.592 30.293 ( -8.178 0.000 -2.862) 8.664 30.494 ( -5.129 0.000 -5.655) 7.634 31.177 ( 2.398 0.000 8.506) 8.837 31.573 ( 3.701 0.000 -6.996) 7.915 31.905 ( 10.553 0.000 4.031) 11.297 32.247 ( 7.005 0.000 6.274) 9.403 32.276 ( 24.011 0.000 8.155) 25.358 32.438 ( 8.789 0.000 -3.460) 9.446 32.647 ( 10.654 0.000 2.999) 11.068 33.139 ( 16.224 0.000 -6.019) 17.304 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.998 0.000 29.796) 30.212 1.191 ( -17.347 0.000 19.010) 25.735 1.863 ( -23.857 0.000 22.052) 32.488 1.901 ( -1.741 0.000 14.129) 14.236 2.331 ( -7.797 0.000 -6.512) 10.158 2.361 ( -2.422 0.000 0.440) 2.462 2.519 ( 2.550 0.000 0.530) 2.605 2.611 ( 0.931 0.000 6.165) 6.235 2.623 ( -11.505 0.000 -1.755) 11.638 2.690 ( 4.151 0.000 -0.928) 4.254 2.796 ( 1.360 0.000 3.615) 3.863 3.030 ( -7.407 0.000 -2.740) 7.897 3.094 ( -8.920 0.000 -5.523) 10.491 3.170 ( -4.639 0.000 -5.918) 7.519 3.277 ( -4.166 0.000 -0.229) 4.173 3.309 ( 0.028 0.000 -5.581) 5.581 3.514 ( -5.159 0.000 -1.268) 5.312 3.533 ( -7.777 0.000 -9.303) 12.125 3.710 ( -3.095 0.000 -6.219) 6.947 3.743 ( -7.806 0.000 -11.282) 13.719 3.828 ( 4.197 0.000 -0.129) 4.199 4.022 ( 3.452 0.000 1.198) 3.654 4.141 ( -0.944 0.000 -1.978) 2.192 4.214 ( -3.071 0.000 -7.226) 7.852 4.445 ( 4.008 0.000 1.505) 4.281 4.485 ( -4.776 0.000 -4.494) 6.558 4.885 ( -1.503 0.000 0.809) 1.706 4.993 ( 0.629 0.000 -0.926) 1.119 5.238 ( -6.335 0.000 7.439) 9.771 5.248 ( -1.326 0.000 1.420) 1.943 5.602 ( -1.556 0.000 2.498) 2.943 5.612 ( -0.253 0.000 2.443) 2.456 5.642 ( -5.833 0.000 3.690) 6.902 5.686 ( 1.068 0.000 -3.055) 3.236 5.715 ( -2.276 0.000 0.685) 2.377 5.909 ( -5.374 0.000 -3.551) 6.442 6.016 ( 0.932 0.000 -5.847) 5.921 6.211 ( -1.103 0.000 -1.600) 1.943 6.324 ( 2.586 0.000 -2.439) 3.555 6.385 ( -4.533 0.000 -0.971) 4.636 6.633 ( -3.715 0.000 4.322) 5.699 6.727 ( 0.538 0.000 -3.271) 3.315 6.985 ( 8.221 0.000 8.161) 11.584 7.019 ( 18.492 0.000 16.730) 24.937 7.590 ( 4.819 0.000 4.242) 6.420 7.714 ( -1.291 0.000 -1.059) 1.670 7.849 ( -3.328 0.000 4.759) 5.807 7.949 ( 0.963 0.000 -1.667) 1.925 8.164 ( -7.806 0.000 -2.103) 8.084 8.280 ( -2.445 0.000 -5.369) 5.899 8.655 ( 1.279 0.000 -1.007) 1.628 8.793 ( -5.143 0.000 -2.034) 5.531 8.984 ( -2.775 0.000 3.071) 4.139 9.215 ( 0.606 0.000 -3.089) 3.148 9.691 ( -4.110 0.000 6.333) 7.550 9.785 ( 0.355 0.000 3.574) 3.592 9.878 ( -2.263 0.000 3.398) 4.082 10.021 ( 1.706 0.000 2.223) 2.802 10.571 ( 0.876 0.000 -1.097) 1.404 10.615 ( 1.098 0.000 -1.503) 1.861 11.278 ( 2.141 0.000 0.467) 2.192 11.300 ( 0.925 0.000 -1.425) 1.699 11.821 ( -3.880 0.000 -3.547) 5.257 11.917 ( -4.187 0.000 -6.203) 7.484 12.575 ( -8.653 0.000 2.822) 9.101 12.583 ( -10.993 0.000 0.621) 11.010 12.697 ( 7.112 0.000 5.095) 8.749 12.943 ( 0.578 0.000 -2.920) 2.977 13.565 ( 13.512 0.000 -0.777) 13.534 13.913 ( 14.551 0.000 -0.420) 14.557 13.915 ( 14.673 0.000 0.909) 14.702 14.055 ( 13.110 0.000 -9.618) 16.260 14.745 ( 13.746 0.000 -0.599) 13.759 14.834 ( 11.465 0.000 -1.498) 11.562 15.186 ( 0.074 0.000 -0.336) 0.344 15.234 ( -1.822 0.000 -3.469) 3.918 15.466 ( -18.857 0.000 -2.361) 19.004 15.484 ( -9.302 0.000 -0.994) 9.355 17.395 ( -22.612 0.000 1.495) 22.662 17.428 ( -22.198 0.000 -0.897) 22.216 19.600 ( 23.232 0.000 2.061) 23.324 19.754 ( 26.880 0.000 -1.356) 26.914 21.661 ( 1.896 0.000 0.059) 1.897 21.706 ( 0.819 0.000 -0.578) 1.003 22.235 ( -2.357 0.000 0.558) 2.422 22.243 ( -11.064 0.000 2.085) 11.259 22.504 ( -7.770 0.000 4.889) 9.180 22.702 ( -11.922 0.000 0.690) 11.942 27.487 ( -0.062 0.000 -0.132) 0.145 27.488 ( 0.286 0.000 -0.210) 0.355 28.194 ( 5.087 0.000 0.699) 5.135 28.222 ( 4.083 0.000 -0.056) 4.083 28.447 ( -20.130 0.000 -0.013) 20.130 28.586 ( -29.764 0.000 -11.262) 31.824 28.868 ( -7.850 0.000 0.772) 7.888 28.887 ( -12.106 0.000 0.011) 12.106 29.526 ( -8.899 0.000 9.573) 13.070 29.889 ( -4.513 0.000 -3.164) 5.512 30.164 ( -4.230 0.000 -4.670) 6.301 30.413 ( -2.391 0.000 -9.386) 9.686 31.214 ( 0.761 0.000 8.686) 8.719 31.633 ( 2.432 0.000 -8.433) 8.776 32.090 ( 7.012 0.000 5.037) 8.634 32.367 ( 3.802 0.000 8.051) 8.904 32.556 ( 5.534 0.000 -4.778) 7.312 32.648 ( 5.907 0.000 -0.647) 5.942 32.998 ( 23.056 0.000 6.615) 23.986 33.414 ( 9.868 0.000 -6.186) 11.646 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -2.449 7.109 22.472) 23.696 1.392 ( -10.079 9.300 26.691) 30.008 1.631 ( 6.442 -5.176 16.781) 18.706 1.884 ( 1.364 17.610 20.849) 27.325 1.993 ( -5.118 -14.499 12.864) 20.047 2.400 ( 1.320 7.677 -5.116) 9.319 2.456 ( 1.748 3.106 -4.810) 5.987 2.552 ( -1.110 -3.184 -1.034) 3.527 2.678 ( -1.100 -3.594 5.534) 6.690 2.780 ( 3.955 -1.695 -3.535) 5.569 2.825 ( -6.112 -2.628 -0.035) 6.653 2.875 ( 4.329 3.391 -0.833) 5.562 2.923 ( -1.211 -2.398 -3.231) 4.202 3.107 ( -0.826 -4.751 -4.589) 6.657 3.182 ( 2.628 3.809 -2.636) 5.325 3.362 ( 2.132 0.018 -7.343) 7.646 3.441 ( -3.475 -1.080 -8.641) 9.376 3.535 ( -0.122 -2.991 2.461) 3.875 3.621 ( 5.626 1.493 -12.821) 14.081 3.770 ( -0.193 4.528 -5.562) 7.174 3.845 ( 7.174 -7.191 -3.685) 10.805 3.995 ( 0.909 -7.809 -0.118) 7.863 4.163 ( 1.813 1.577 -10.217) 10.496 4.292 ( 1.027 1.786 -5.651) 6.015 4.423 ( 1.822 -0.523 -0.799) 2.057 4.489 ( 0.891 -2.171 -0.013) 2.346 4.826 ( -4.911 0.649 1.074) 5.069 4.934 ( -6.397 -6.553 0.230) 9.161 5.133 ( 2.135 8.372 5.537) 10.262 5.335 ( -1.501 6.770 2.093) 7.244 5.456 ( -5.193 -1.807 5.116) 7.510 5.565 ( -3.888 -1.046 5.693) 6.973 5.635 ( 0.145 2.336 5.634) 6.101 5.716 ( 0.155 -0.795 -0.126) 0.820 5.810 ( 6.110 1.718 -6.470) 9.063 5.868 ( 1.006 -0.028 -0.535) 1.140 6.059 ( 3.422 -0.533 -5.315) 6.344 6.128 ( -0.835 -2.821 -1.920) 3.513 6.274 ( -0.400 -4.325 -1.772) 4.691 6.305 ( -0.492 -2.029 -1.743) 2.720 6.701 ( 0.377 9.659 4.749) 10.770 6.858 ( -1.052 11.452 -2.330) 11.734 7.015 ( 2.469 -8.234 10.504) 13.572 7.258 ( -0.810 -6.578 2.815) 7.200 7.624 ( 2.695 -3.188 3.379) 5.371 7.677 ( 2.148 -0.718 4.953) 5.446 7.749 ( -4.736 0.160 5.886) 7.557 7.893 ( -2.770 -4.227 0.009) 5.053 8.095 ( -1.618 4.468 -5.211) 7.052 8.271 ( 2.154 -2.810 -5.765) 6.765 8.609 ( -3.098 -2.327 1.260) 4.074 8.671 ( -2.943 -2.930 -1.517) 4.421 9.089 ( 5.152 8.002 3.596) 10.174 9.306 ( 4.925 1.372 -3.368) 6.123 9.677 ( 1.660 1.712 5.359) 5.866 9.763 ( -0.896 -0.921 2.985) 3.250 9.881 ( 0.827 0.664 4.683) 4.801 9.994 ( -2.199 -2.219 2.800) 4.195 10.572 ( -1.423 0.128 -1.257) 1.903 10.609 ( -2.179 -0.394 -2.706) 3.497 11.316 ( 1.294 -0.171 -0.044) 1.306 11.329 ( 1.526 -0.619 -0.876) 1.865 11.791 ( -1.950 1.729 -2.461) 3.584 11.858 ( -1.999 -0.411 -4.614) 5.045 12.473 ( 1.233 -0.701 0.682) 1.573 12.480 ( 1.750 -0.580 0.523) 1.917 12.819 ( 1.508 3.924 1.517) 4.469 12.956 ( 6.273 -2.369 -0.514) 6.725 13.775 ( 2.726 0.267 -0.122) 2.742 13.881 ( -8.933 -3.964 -4.203) 10.639 14.082 ( -0.644 1.397 0.326) 1.572 14.107 ( -0.689 -0.107 -1.488) 1.643 14.854 ( -0.566 0.404 -0.072) 0.699 14.871 ( 1.011 -0.163 -0.744) 1.266 15.148 ( -0.472 0.638 -0.189) 0.816 15.169 ( -0.451 -0.368 -0.640) 0.865 15.445 ( 0.777 0.825 -0.061) 1.134 15.472 ( 0.081 -0.127 -0.702) 0.718 17.142 ( -0.529 1.509 0.052) 1.600 17.231 ( 5.270 -2.408 -2.754) 6.415 19.925 ( 1.559 2.251 2.637) 3.802 20.045 ( -0.782 -3.345 -1.424) 3.719 21.660 ( 0.071 -0.025 -0.543) 0.548 21.671 ( -0.389 -0.678 -0.620) 0.998 22.117 ( -2.652 6.005 2.817) 7.143 22.243 ( 0.638 1.895 -0.796) 2.152 22.422 ( -0.122 -2.030 3.201) 3.793 22.529 ( 1.468 -4.329 1.739) 4.890 27.488 ( -0.044 0.166 -0.089) 0.194 27.494 ( 0.101 -0.084 -0.050) 0.140 28.216 ( -0.219 0.390 0.094) 0.457 28.227 ( 3.146 -0.165 -0.186) 3.156 28.259 ( -0.408 -0.003 0.019) 0.408 28.260 ( -0.151 -0.009 -0.006) 0.152 28.783 ( 0.253 0.311 1.468) 1.522 28.800 ( 0.928 -0.100 0.810) 1.236 29.553 ( -0.164 11.384 5.003) 12.436 29.821 ( -0.607 -1.545 -2.917) 3.357 30.128 ( -0.458 1.967 -5.169) 5.549 30.330 ( 0.161 -5.870 -10.749) 12.248 31.258 ( -1.379 4.857 9.049) 10.362 31.616 ( -1.160 -7.519 -2.404) 7.979 32.014 ( -0.236 -11.816 7.245) 13.862 32.143 ( 1.524 -9.263 4.577) 10.444 32.726 ( 1.030 5.329 0.803) 5.487 32.803 ( -2.670 5.340 0.545) 5.995 33.406 ( 0.841 7.893 -7.170) 10.697 33.524 ( -0.985 1.294 -7.247) 7.427 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 13.500 4.344 19.550) 24.152 1.422 ( 9.051 15.089 20.300) 26.864 1.746 ( 7.335 -18.837 9.844) 22.485 2.082 ( 10.684 -12.167 6.910) 17.605 2.262 ( 26.480 16.635 21.640) 38.028 2.423 ( 0.798 6.919 -2.526) 7.409 2.512 ( 2.590 -0.915 -4.605) 5.362 2.558 ( 1.728 -0.334 -0.506) 1.831 2.619 ( -2.576 -1.460 3.272) 4.413 2.713 ( -3.205 4.542 -8.408) 10.079 2.895 ( 2.266 -0.097 2.916) 3.695 2.949 ( 6.732 -1.530 -6.331) 9.367 2.994 ( 7.476 0.285 1.547) 7.640 3.146 ( 1.921 -3.938 -4.304) 6.141 3.297 ( 6.891 2.244 -0.910) 7.304 3.363 ( 0.976 0.545 -5.715) 5.823 3.422 ( 4.786 1.799 -3.661) 6.288 3.536 ( -2.943 -0.678 -0.773) 3.117 3.743 ( 6.585 -2.935 -4.087) 8.288 3.791 ( 0.814 -4.728 -4.041) 6.273 3.926 ( -0.929 -2.294 -11.545) 11.808 4.033 ( 0.286 -7.101 -1.563) 7.277 4.160 ( -2.883 0.259 -5.460) 6.180 4.226 ( -3.168 -1.277 -4.357) 5.536 4.536 ( 8.631 0.611 -3.828) 9.461 4.572 ( 5.758 0.334 -6.434) 8.641 4.785 ( 5.290 1.252 5.325) 7.610 4.848 ( 0.348 -3.220 2.221) 3.928 5.196 ( 2.514 6.045 4.190) 7.773 5.289 ( -2.333 8.810 4.839) 10.318 5.449 ( 3.667 -4.378 5.645) 8.030 5.502 ( -1.665 -2.703 5.561) 6.403 5.632 ( -1.038 1.675 4.876) 5.259 5.699 ( -2.093 -3.483 -1.178) 4.231 5.879 ( 0.527 1.924 -1.663) 2.598 5.936 ( 4.709 0.038 -4.302) 6.378 6.065 ( -1.948 2.066 -3.926) 4.845 6.121 ( 1.161 -0.289 -2.669) 2.925 6.286 ( 1.241 0.025 -3.792) 3.990 6.386 ( 7.866 -3.232 -0.539) 8.522 6.667 ( -4.298 6.381 2.078) 7.969 6.843 ( -0.355 10.919 -0.569) 10.940 6.922 ( -8.264 -10.564 10.740) 17.182 7.208 ( -1.371 -0.025 3.956) 4.187 7.542 ( -8.180 -1.797 4.453) 9.486 7.728 ( -1.316 -2.892 3.256) 4.549 7.806 ( 8.462 -0.507 4.857) 9.770 7.886 ( 3.324 -3.967 -0.056) 5.176 8.063 ( -2.153 7.283 -4.232) 8.694 8.343 ( 4.669 -6.289 -5.914) 9.815 8.557 ( -1.768 0.504 2.555) 3.148 8.659 ( 3.508 -3.121 -2.176) 5.175 9.202 ( 5.525 6.425 2.373) 8.800 9.373 ( 2.438 1.070 -4.821) 5.507 9.768 ( 6.113 2.040 5.027) 8.173 9.815 ( 5.670 -0.164 4.598) 7.301 9.894 ( -0.301 -1.094 3.128) 3.328 9.927 ( -3.033 -0.896 2.671) 4.139 10.515 ( -4.590 -0.688 -1.314) 4.823 10.533 ( -4.478 -1.239 -0.314) 4.657 11.326 ( 0.961 0.331 -0.718) 1.245 11.345 ( 1.136 -0.485 -1.176) 1.705 11.738 ( -2.229 1.904 -1.622) 3.350 11.822 ( -1.502 -1.534 -2.710) 3.457 12.626 ( 12.572 -0.042 -0.257) 12.575 12.654 ( 13.413 -0.681 0.121) 13.430 12.797 ( -3.324 5.050 1.707) 6.282 13.066 ( -0.932 -7.388 -6.796) 10.081 13.638 ( -11.613 2.231 -3.672) 12.382 13.754 ( -9.557 -1.963 -0.803) 9.790 13.908 ( -15.645 1.457 0.619) 15.725 13.941 ( -15.708 -0.141 -1.303) 15.763 14.776 ( -12.136 0.230 -0.934) 12.174 14.786 ( -12.464 0.213 -0.555) 12.479 15.195 ( 0.488 -0.021 -0.294) 0.570 15.202 ( 3.527 -0.389 -1.473) 3.842 15.455 ( 8.612 0.707 -0.161) 8.643 15.484 ( 10.656 -0.460 -1.192) 10.732 17.402 ( 23.734 3.020 -0.667) 23.935 17.599 ( 26.606 -6.059 -6.664) 28.089 19.665 ( -22.976 0.908 1.737) 23.059 19.700 ( -26.600 -0.699 -0.426) 26.613 21.672 ( -1.371 0.148 -0.222) 1.396 21.689 ( -0.676 -0.698 -0.738) 1.220 22.243 ( 10.952 6.001 1.335) 12.559 22.336 ( 6.043 5.724 3.036) 8.860 22.447 ( 4.101 -3.364 3.840) 6.548 22.643 ( 10.304 -6.703 2.061) 12.464 27.485 ( -0.135 0.197 -0.150) 0.282 27.493 ( -0.069 -0.132 -0.097) 0.178 28.194 ( -5.061 0.370 0.568) 5.107 28.205 ( -4.606 -0.119 0.159) 4.610 28.465 ( 21.857 2.367 -1.537) 22.039 28.644 ( 30.923 -6.488 -8.944) 32.838 28.880 ( 9.296 0.144 1.299) 9.388 28.910 ( 9.856 -0.462 0.515) 9.880 29.640 ( 7.792 10.107 3.027) 13.116 29.851 ( 3.463 -0.977 -2.723) 4.512 30.158 ( 3.655 2.306 -3.982) 5.877 30.360 ( 3.110 -5.379 -10.603) 12.290 31.219 ( -2.613 3.976 8.736) 9.947 31.560 ( -4.200 -10.403 1.243) 11.288 31.966 ( -4.453 -7.435 5.402) 10.212 32.127 ( -3.423 -7.445 4.331) 9.268 32.646 ( -9.181 10.432 -0.120) 13.898 32.729 ( -3.824 3.178 2.769) 5.691 33.184 ( -19.070 7.106 -2.061) 20.455 33.359 ( -13.633 -0.669 -7.207) 15.435 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 17.577 8.552 6.804) 20.697 1.685 ( 16.918 3.249 13.937) 22.159 1.972 ( 12.415 -15.811 1.924) 20.194 2.207 ( 1.718 -13.037 3.198) 13.533 2.423 ( -1.073 3.789 -0.471) 3.966 2.535 ( 0.421 -0.042 -4.302) 4.323 2.565 ( 0.732 -0.440 -4.310) 4.394 2.589 ( 0.913 1.452 1.042) 2.007 2.630 ( -1.153 9.742 -1.742) 9.964 2.790 ( 8.976 8.356 3.555) 12.768 2.938 ( 3.801 -0.465 3.692) 5.319 2.961 ( -5.627 -0.916 -8.973) 10.631 3.145 ( 6.824 1.494 1.289) 7.103 3.275 ( 8.419 0.093 3.438) 9.094 3.380 ( -1.243 3.427 -4.174) 5.542 3.480 ( 2.404 2.797 -1.626) 4.031 3.589 ( 19.456 -0.418 3.785) 19.825 3.620 ( 11.237 -2.329 0.960) 11.516 3.746 ( -0.353 -5.022 -2.351) 5.556 3.858 ( -1.138 -3.271 -3.394) 4.849 3.908 ( 4.048 -8.104 0.681) 9.084 3.984 ( -1.675 -4.204 -2.529) 5.184 4.120 ( 0.029 3.630 -2.702) 4.526 4.196 ( -0.189 -0.619 -1.645) 1.768 4.562 ( 0.803 0.174 -3.969) 4.053 4.642 ( 0.802 -3.485 -7.938) 8.707 4.931 ( 6.519 6.076 -0.222) 8.914 5.154 ( -1.141 10.591 4.124) 11.423 5.195 ( 13.983 -1.925 0.558) 14.126 5.272 ( -0.431 3.839 3.711) 5.357 5.462 ( -4.664 -4.462 3.847) 7.514 5.563 ( 6.233 -2.397 6.804) 9.533 5.661 ( 5.762 -2.826 3.714) 7.415 5.670 ( 2.110 -7.026 -0.485) 7.352 5.876 ( -0.365 1.188 -1.458) 1.915 5.982 ( -1.696 -1.242 -2.707) 3.427 6.071 ( 6.804 7.849 -3.574) 10.985 6.204 ( 7.348 -1.485 -2.528) 7.911 6.304 ( 0.128 2.969 -2.960) 4.194 6.568 ( -2.911 -0.752 1.468) 3.346 6.600 ( 12.000 0.453 0.798) 12.035 6.801 ( -2.797 -4.504 5.403) 7.570 6.842 ( -0.142 5.041 2.829) 5.782 7.189 ( -0.387 2.066 0.874) 2.277 7.397 ( -4.862 0.208 2.378) 5.416 7.657 ( -4.446 -3.171 0.185) 5.464 7.980 ( 4.468 1.791 1.001) 4.916 8.029 ( 11.842 -1.574 3.444) 12.433 8.065 ( 5.549 4.383 -0.954) 7.135 8.346 ( -3.748 -5.222 2.572) 6.923 8.671 ( 11.911 0.829 -4.528) 12.770 8.769 ( 6.250 -1.688 -5.665) 8.602 9.336 ( 7.681 2.624 1.100) 8.191 9.444 ( 5.149 -0.926 -3.418) 6.249 9.844 ( -0.866 -0.370 1.478) 1.753 9.853 ( -1.505 -0.538 0.208) 1.612 9.917 ( 5.861 2.717 3.615) 7.403 10.001 ( 6.446 -0.918 2.768) 7.075 10.414 ( -3.653 0.040 1.662) 4.013 10.447 ( -2.474 -1.539 3.082) 4.241 11.398 ( 6.371 0.297 -1.310) 6.511 11.413 ( 5.746 -0.337 -1.099) 5.860 11.723 ( 0.462 0.915 0.471) 1.128 11.791 ( -1.333 -1.833 -1.174) 2.552 12.637 ( -10.832 4.863 2.097) 12.058 12.886 ( -14.489 -5.884 -5.880) 16.707 12.933 ( 14.065 0.588 -0.896) 14.105 12.974 ( 13.785 -1.040 -0.116) 13.824 13.311 ( -20.278 2.089 -2.658) 20.558 13.406 ( -23.405 -1.940 -0.372) 23.488 13.502 ( -21.548 0.751 -0.943) 21.582 13.525 ( -20.393 0.575 0.062) 20.402 14.368 ( -25.007 0.243 -0.027) 25.008 14.381 ( -24.859 -0.170 -1.172) 24.887 15.045 ( -10.846 0.989 -0.196) 10.893 15.095 ( -10.132 -1.136 -1.586) 10.318 15.991 ( 34.975 -0.189 -5.920) 35.473 16.005 ( 32.890 -0.639 -2.705) 33.007 18.011 ( 33.557 3.241 -0.564) 33.717 18.199 ( 30.373 -5.050 -5.574) 31.291 19.144 ( -25.377 0.264 0.175) 25.379 19.149 ( -24.436 0.131 -0.829) 24.450 21.564 ( -9.211 0.497 0.115) 9.225 21.591 ( -8.929 -0.696 -0.802) 8.992 22.378 ( 3.870 3.345 -0.064) 5.115 22.400 ( 2.276 3.281 2.776) 4.863 22.702 ( 14.900 0.618 6.495) 16.266 22.893 ( 11.228 -6.090 3.239) 13.178 27.486 ( 0.364 0.208 -0.230) 0.478 27.495 ( 0.425 -0.172 -0.181) 0.493 28.062 ( -7.382 0.528 0.926) 7.458 28.082 ( -7.115 -0.317 0.242) 7.126 29.011 ( 27.381 3.417 -3.955) 27.876 29.085 ( 14.991 0.537 -1.909) 15.121 29.157 ( 17.005 0.214 1.506) 17.073 29.371 ( 30.351 -10.102 -9.210) 33.288 29.835 ( 10.246 6.515 -1.184) 12.200 29.949 ( 5.782 -0.532 -2.627) 6.373 30.277 ( 8.001 3.083 -1.845) 8.771 30.444 ( 5.430 -3.530 -8.182) 10.435 31.167 ( -2.645 3.088 8.318) 9.259 31.454 ( -5.930 -10.505 4.195) 12.771 31.843 ( -7.582 -2.715 3.101) 8.630 32.002 ( -9.076 -5.883 4.510) 11.719 32.411 ( -12.514 13.438 0.539) 18.371 32.619 ( -7.121 0.002 3.356) 7.872 32.758 ( -20.039 6.245 -0.154) 20.990 33.017 ( -17.902 -3.572 -6.746) 19.462 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 11.821 2.369 -2.257) 12.265 2.040 ( 10.655 -6.219 8.289) 14.863 2.155 ( 2.930 -8.546 -0.893) 9.078 2.240 ( 4.678 -10.112 -0.676) 11.162 2.429 ( 2.237 5.393 -2.632) 6.404 2.516 ( -0.883 5.452 -0.256) 5.529 2.573 ( 2.588 1.405 -2.854) 4.101 2.598 ( -0.052 2.008 0.568) 2.088 2.672 ( 4.859 2.730 -0.721) 5.620 2.777 ( -4.755 -2.167 1.283) 5.381 2.914 ( 2.228 0.098 -8.187) 8.485 3.018 ( 2.477 -2.687 4.439) 5.750 3.241 ( 4.382 7.231 2.808) 8.909 3.325 ( -2.369 5.195 -6.990) 9.025 3.436 ( 6.913 1.681 1.864) 7.354 3.554 ( 4.803 3.782 -4.127) 7.376 3.715 ( -1.659 -6.744 1.998) 7.227 3.763 ( -1.636 0.894 -4.857) 5.203 3.811 ( -1.409 1.613 5.992) 6.364 3.823 ( -0.288 -4.623 -1.057) 4.751 3.956 ( 0.629 -5.035 -1.783) 5.379 4.066 ( 2.754 -4.660 1.847) 5.720 4.179 ( 3.903 2.330 -1.488) 4.783 4.229 ( 5.236 -0.732 5.637) 7.728 4.712 ( 12.274 0.055 -2.957) 12.625 4.750 ( 11.367 -2.044 -5.774) 12.912 4.939 ( -4.239 5.082 0.587) 6.643 5.021 ( -10.099 1.112 2.053) 10.366 5.092 ( -6.580 10.057 3.727) 12.583 5.292 ( -7.268 -1.483 1.416) 7.552 5.511 ( 7.314 -0.751 3.979) 8.360 5.705 ( 4.406 -1.571 2.617) 5.360 5.748 ( 2.388 -1.764 1.328) 3.252 5.799 ( 6.327 -3.797 -1.589) 7.548 5.858 ( -0.901 -1.358 -1.829) 2.450 5.948 ( -0.405 -3.316 -2.241) 4.023 6.236 ( -1.613 7.931 3.205) 8.705 6.299 ( 6.596 0.241 -4.720) 8.114 6.435 ( 12.285 -0.640 2.738) 12.603 6.542 ( -0.141 -4.414 1.513) 4.668 6.793 ( 2.164 -7.374 0.718) 7.719 6.821 ( 5.388 -4.753 6.072) 9.407 6.978 ( 15.624 10.052 -3.477) 18.901 7.235 ( 6.468 3.114 -0.812) 7.224 7.367 ( 2.041 3.654 -1.544) 4.461 7.574 ( -3.058 1.120 -2.423) 4.059 8.072 ( 4.896 0.654 6.897) 8.484 8.186 ( -1.683 -2.727 5.040) 5.973 8.305 ( 13.919 0.454 -1.077) 13.968 8.357 ( 12.052 0.116 -0.751) 12.076 8.894 ( 7.454 0.617 -8.960) 11.672 8.935 ( 11.873 -1.786 -7.475) 14.144 9.495 ( 6.439 0.937 1.964) 6.797 9.573 ( 6.623 -1.641 -0.971) 6.892 9.832 ( -0.450 -0.360 0.312) 0.656 9.842 ( 0.281 -0.407 -0.155) 0.518 10.049 ( 8.468 1.470 -2.023) 8.830 10.088 ( 4.451 -0.191 -2.021) 4.892 10.425 ( 4.978 1.342 6.038) 7.940 10.508 ( 8.226 -1.916 7.801) 11.498 11.556 ( 7.542 0.147 -0.750) 7.580 11.567 ( 8.184 0.134 -0.476) 8.199 11.739 ( 0.713 -0.105 4.245) 4.306 11.773 ( -0.267 -1.549 1.478) 2.158 12.345 ( -17.781 3.934 1.255) 18.254 12.526 ( -19.197 -3.859 -5.122) 20.239 12.738 ( -29.371 0.047 0.296) 29.372 12.744 ( -29.300 -0.032 0.793) 29.311 12.984 ( -14.670 1.462 -2.689) 14.986 13.067 ( -17.592 -2.145 -0.403) 17.727 13.318 ( 0.334 1.279 -2.326) 2.676 13.338 ( 1.045 0.271 -0.107) 1.084 13.877 ( -15.859 0.078 0.007) 15.859 13.885 ( -16.939 -0.252 -0.524) 16.949 14.803 ( -12.580 1.026 -0.109) 12.622 14.851 ( -13.162 -1.038 -1.125) 13.251 16.684 ( 31.838 0.082 -3.288) 32.008 16.703 ( 32.938 -0.779 -7.335) 33.754 18.547 ( -10.528 -0.070 -0.149) 10.529 18.556 ( -9.094 -0.212 0.327) 9.102 18.842 ( 21.685 3.132 -0.889) 21.928 18.986 ( 24.566 -3.163 -4.587) 25.190 21.287 ( -17.875 0.681 0.462) 17.894 21.320 ( -17.447 -0.739 -0.732) 17.478 22.464 ( 5.562 2.492 0.321) 6.103 22.492 ( 6.375 0.912 1.429) 6.596 22.926 ( 5.803 0.903 5.137) 7.803 23.043 ( 2.650 -3.782 3.035) 5.526 27.504 ( 1.486 0.217 -0.253) 1.523 27.514 ( 1.507 -0.194 -0.207) 1.533 27.906 ( -7.644 0.480 0.793) 7.700 27.925 ( -7.834 -0.361 0.141) 7.843 29.394 ( 15.271 0.663 -1.572) 15.366 29.421 ( 15.186 -0.405 -2.498) 15.395 29.653 ( 25.520 4.307 -0.532) 25.886 29.892 ( 18.053 -6.160 -1.093) 19.106 30.051 ( 9.545 0.460 -3.419) 10.149 30.069 ( 8.799 -0.510 -7.224) 11.396 30.473 ( 10.576 3.173 -0.009) 11.042 30.578 ( 7.974 -1.518 -4.203) 9.141 31.124 ( -1.872 2.281 7.541) 8.098 31.332 ( -5.944 -7.427 4.032) 10.332 31.661 ( -10.133 -1.137 2.239) 10.440 31.758 ( -14.345 -3.096 3.850) 15.172 32.182 ( -8.800 10.428 -0.018) 13.644 32.389 ( -13.570 0.387 1.386) 13.646 32.469 ( -8.904 2.077 -0.646) 9.166 32.658 ( -16.287 -3.643 -4.934) 17.403 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 3.360 -6.217 0.928) 7.127 2.063 ( -4.398 -9.089 2.113) 10.316 2.253 ( 7.251 -0.736 1.447) 7.430 2.331 ( 3.194 -0.804 -3.342) 4.692 2.430 ( -0.677 3.874 -0.030) 3.933 2.518 ( -0.120 2.434 1.369) 2.796 2.545 ( -4.562 0.731 -0.172) 4.623 2.677 ( -0.119 -4.386 -1.080) 4.518 2.732 ( 6.613 2.862 -2.580) 7.654 2.853 ( 6.844 2.327 3.224) 7.915 2.968 ( 3.962 -3.083 -4.661) 6.850 3.089 ( 4.268 -4.474 -1.180) 6.295 3.256 ( -1.486 6.333 -3.219) 7.258 3.385 ( 5.684 6.735 -2.273) 9.102 3.514 ( -3.385 0.225 1.220) 3.605 3.638 ( 0.144 -0.670 0.485) 0.839 3.664 ( 5.337 2.057 0.728) 5.766 3.711 ( -4.144 3.321 -0.078) 5.311 3.760 ( -6.183 -2.667 -4.462) 8.078 3.804 ( 2.472 -1.919 0.640) 3.194 3.897 ( -3.105 0.124 -0.614) 3.168 4.041 ( -2.700 -3.127 -2.331) 4.743 4.239 ( -0.425 -0.706 3.831) 3.919 4.282 ( -1.081 -0.294 0.828) 1.393 4.747 ( -6.105 8.692 0.336) 10.627 4.884 ( 0.037 1.443 6.605) 6.761 4.929 ( 1.512 -0.249 -0.455) 1.598 5.000 ( 10.119 -2.336 -3.616) 10.997 5.076 ( 4.202 5.084 -3.973) 7.700 5.252 ( 3.588 -1.153 9.417) 10.143 5.593 ( 0.771 0.834 0.927) 1.465 5.704 ( -3.000 -1.893 -0.284) 3.559 5.753 ( -0.409 -1.793 -2.709) 3.275 5.837 ( -1.329 -3.192 -2.370) 4.192 5.925 ( -0.658 -4.855 -2.121) 5.339 5.953 ( 6.039 -4.055 -0.844) 7.323 6.187 ( -1.866 6.075 1.232) 6.473 6.354 ( -0.654 4.650 -2.645) 5.390 6.523 ( 0.618 -5.606 4.380) 7.141 6.658 ( 6.054 -2.314 4.347) 7.804 6.818 ( 2.211 -5.995 1.787) 6.635 6.942 ( 5.139 -6.010 3.251) 8.550 7.208 ( 3.375 6.708 0.867) 7.559 7.348 ( -0.324 1.570 0.214) 1.617 7.522 ( 9.719 6.492 -4.163) 12.407 7.596 ( 8.393 4.539 -5.574) 11.051 8.082 ( -5.734 0.316 4.879) 7.535 8.130 ( -0.819 -1.655 6.099) 6.372 8.613 ( 14.008 1.091 -1.689) 14.151 8.659 ( 13.539 -0.727 -2.534) 13.794 9.068 ( 8.824 0.625 -11.079) 14.177 9.124 ( 5.658 -1.626 -9.224) 10.943 9.578 ( 2.270 1.156 3.825) 4.596 9.666 ( 1.871 -2.108 2.286) 3.629 9.822 ( -0.423 -0.636 -0.774) 1.088 9.839 ( -0.281 -0.566 -0.802) 1.021 10.339 ( 20.969 0.433 -2.196) 21.088 10.351 ( 21.970 0.346 -2.310) 22.094 10.598 ( 10.744 2.372 6.200) 12.630 10.736 ( 12.181 -3.302 6.022) 13.983 11.609 ( -7.019 0.508 3.116) 7.697 11.623 ( -11.890 -0.355 2.969) 12.261 11.652 ( -15.586 1.000 5.560) 16.578 11.717 ( -13.172 -1.672 9.230) 16.171 11.944 ( -4.977 3.840 -1.736) 6.522 12.139 ( -6.960 -4.389 -1.723) 8.407 12.343 ( -5.621 0.489 -1.745) 5.906 12.363 ( -5.442 -0.578 -4.576) 7.134 12.651 ( -16.149 1.187 -2.090) 16.326 12.680 ( -18.849 -0.028 0.020) 18.849 13.023 ( -21.661 0.046 -2.305) 21.784 13.033 ( -21.867 0.009 -1.649) 21.929 13.930 ( 13.852 0.372 -0.252) 13.859 13.944 ( 13.853 -0.212 -0.317) 13.858 14.529 ( -14.010 0.684 -0.176) 14.028 14.560 ( -14.938 -0.654 -0.671) 14.968 17.279 ( 26.096 0.520 -3.047) 26.279 17.312 ( 26.480 -0.884 -5.846) 27.132 18.170 ( -20.546 0.250 -1.006) 20.572 18.183 ( -18.948 -0.306 -1.965) 19.052 19.535 ( 35.438 2.197 0.590) 35.511 19.635 ( 33.371 -2.091 -2.155) 33.506 20.832 ( -26.238 1.036 0.845) 26.272 20.877 ( -25.428 -0.901 -0.646) 25.452 22.616 ( 8.889 1.735 0.749) 9.088 22.656 ( 9.361 -0.053 0.553) 9.378 22.947 ( -3.379 0.463 3.202) 4.678 23.010 ( -5.413 -2.118 1.539) 6.012 27.550 ( 3.095 0.229 -0.185) 3.109 27.561 ( 3.148 -0.210 -0.196) 3.161 27.757 ( -6.681 0.300 0.442) 6.702 27.770 ( -7.074 -0.248 -0.054) 7.078 29.674 ( 11.172 0.283 -2.376) 11.425 29.684 ( 9.727 -0.134 -2.355) 10.009 29.987 ( 5.317 1.923 0.404) 5.669 30.075 ( 0.615 -1.956 -0.344) 2.079 30.245 ( 17.262 2.783 -0.064) 17.485 30.400 ( 16.436 -4.402 -7.140) 18.452 30.672 ( 6.840 2.810 0.649) 7.423 30.754 ( 7.937 -1.187 -1.290) 8.128 31.094 ( -1.018 1.800 5.730) 6.091 31.215 ( -5.161 -3.132 1.408) 6.199 31.443 ( -11.603 -1.129 2.649) 11.954 31.463 ( -12.158 -1.639 3.031) 12.637 32.073 ( -1.217 5.332 -0.227) 5.474 32.191 ( -5.523 0.130 -1.268) 5.668 32.295 ( -7.762 -0.027 -0.676) 7.792 32.357 ( -12.392 -1.494 -2.409) 12.712 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -6.412 -5.674 2.409) 8.894 2.039 ( 3.064 -8.082 4.616) 9.799 2.322 ( -5.158 6.228 0.834) 8.129 2.380 ( 1.776 1.447 1.587) 2.787 2.419 ( -2.093 -3.087 0.736) 3.802 2.450 ( 1.058 2.307 0.310) 2.557 2.519 ( 0.027 2.569 1.548) 2.999 2.697 ( 1.096 -5.904 -0.407) 6.019 2.842 ( -6.869 2.696 -5.120) 8.982 2.862 ( 6.396 3.617 -4.286) 8.506 3.052 ( -2.609 -5.581 -3.611) 7.141 3.071 ( -3.688 -6.887 -8.260) 11.369 3.285 ( 3.449 -0.362 2.470) 4.258 3.387 ( -5.000 -4.968 -3.467) 7.855 3.442 ( -1.927 6.666 1.377) 7.074 3.583 ( -4.758 6.684 5.240) 9.735 3.626 ( -3.957 -0.191 -1.875) 4.383 3.678 ( 2.643 7.374 0.386) 7.843 3.774 ( 0.826 -1.281 0.491) 1.602 3.847 ( -0.267 -0.071 0.902) 0.943 3.916 ( 4.018 3.020 -3.252) 5.987 3.976 ( -0.220 0.580 -1.602) 1.718 4.212 ( 3.147 1.210 4.306) 5.469 4.307 ( 2.316 -5.525 1.764) 6.245 4.677 ( -1.306 10.982 1.030) 11.107 4.940 ( 0.461 -0.903 -3.748) 3.883 5.009 ( 9.846 1.600 4.275) 10.853 5.152 ( 2.319 4.253 -6.458) 8.073 5.171 ( 7.123 -3.600 2.109) 8.255 5.355 ( 3.951 -3.282 9.271) 10.599 5.539 ( -4.924 -2.755 -4.186) 7.026 5.632 ( -3.502 -2.711 -0.934) 4.526 5.725 ( -3.780 -0.087 -1.521) 4.075 5.823 ( 4.479 -6.226 -2.561) 8.086 5.921 ( -0.144 -0.226 -0.908) 0.946 6.072 ( 4.511 -1.982 -3.259) 5.908 6.151 ( -1.803 3.084 -0.386) 3.593 6.302 ( -2.984 5.096 -3.217) 6.725 6.573 ( 3.466 -6.180 5.304) 8.851 6.712 ( -0.015 -9.166 0.156) 9.167 6.885 ( 1.421 -0.688 7.696) 7.857 6.972 ( -4.120 -4.029 5.028) 7.648 7.209 ( -0.147 6.309 1.666) 6.527 7.272 ( -5.297 7.044 -0.440) 8.825 7.613 ( -1.031 1.002 -0.725) 1.610 7.689 ( -4.798 0.127 -3.173) 5.753 8.052 ( 2.950 2.856 0.734) 4.172 8.065 ( -2.378 2.513 1.331) 3.707 8.796 ( 2.512 1.303 -1.829) 3.369 8.861 ( 5.970 -1.382 -3.957) 7.295 9.131 ( -3.159 0.178 -7.723) 8.346 9.140 ( -3.732 0.069 -7.829) 8.673 9.618 ( 0.003 0.485 2.704) 2.747 9.680 ( -1.330 -2.288 1.035) 2.842 9.785 ( -2.231 0.114 0.430) 2.275 9.819 ( -1.556 -1.110 -0.215) 1.923 10.764 ( -1.580 -0.084 1.317) 2.059 10.806 ( -6.740 -2.177 0.580) 7.107 10.860 ( 5.020 0.641 -0.335) 5.072 10.875 ( 9.510 0.337 -0.829) 9.552 11.115 ( 1.011 1.615 3.760) 4.215 11.162 ( -0.025 -0.376 2.935) 2.959 11.554 ( 2.516 -0.094 11.208) 11.487 11.578 ( -2.123 -0.789 10.507) 10.749 12.103 ( 6.591 0.098 0.362) 6.602 12.155 ( -4.875 -1.506 -0.187) 5.106 12.315 ( -5.404 0.069 -1.586) 5.632 12.346 ( -2.438 -0.813 -2.640) 3.684 12.400 ( -1.769 1.986 -0.746) 2.762 12.448 ( 5.639 0.560 -2.178) 6.071 12.702 ( -3.466 1.437 -3.219) 4.944 12.781 ( 3.078 -1.783 -3.953) 5.318 14.188 ( -5.921 0.224 0.244) 5.930 14.197 ( -3.614 -0.136 0.077) 3.617 14.290 ( 4.261 0.104 -0.901) 4.357 14.291 ( 4.877 0.097 -0.831) 4.948 17.712 ( -10.530 0.811 -2.501) 10.853 17.754 ( -5.350 -0.986 -3.929) 6.711 17.782 ( 9.374 0.780 -1.870) 9.590 17.824 ( 6.267 -1.037 -3.375) 7.193 20.193 ( -6.339 1.936 0.972) 6.699 20.261 ( 4.534 1.015 0.978) 4.748 20.275 ( -12.929 -1.360 -1.238) 13.059 20.311 ( 12.863 -0.947 -0.424) 12.905 22.776 ( -0.312 0.652 2.144) 2.262 22.823 ( -4.874 -1.627 1.541) 5.365 22.860 ( 3.440 0.572 0.952) 3.615 22.875 ( 2.378 0.086 -0.489) 2.429 27.633 ( 4.051 0.195 -0.082) 4.057 27.636 ( -2.065 -0.024 -0.232) 2.078 27.637 ( -3.964 0.189 0.233) 3.976 27.651 ( 1.953 -0.314 -0.122) 1.982 29.768 ( -2.419 0.415 -2.115) 3.240 29.789 ( -1.655 -0.495 -2.724) 3.226 30.035 ( 1.307 0.601 0.688) 1.594 30.065 ( 0.479 -0.670 -0.133) 0.835 30.550 ( 5.042 2.119 -0.027) 5.469 30.618 ( -0.624 0.150 0.874) 1.084 30.696 ( 3.356 -0.067 -4.046) 5.257 30.775 ( -6.516 -2.462 -4.052) 8.058 31.142 ( 2.081 1.233 4.800) 5.376 31.204 ( 3.159 -1.496 3.409) 4.882 31.239 ( -0.965 1.097 2.735) 3.101 31.307 ( -3.034 -1.981 1.611) 3.966 32.130 ( -3.825 -0.283 -0.974) 3.957 32.132 ( 2.832 -0.468 -1.138) 3.088 32.178 ( 2.850 1.736 -0.750) 3.420 32.201 ( -0.916 0.566 -1.552) 1.889 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -6.028 -0.739 2.218) 6.465 2.087 ( -13.746 6.930 -6.605) 16.751 2.126 ( 4.802 -9.168 5.171) 11.570 2.351 ( -6.625 -1.735 1.924) 7.113 2.413 ( -2.200 -1.858 2.127) 3.580 2.445 ( -1.916 -3.073 3.443) 4.997 2.557 ( 2.141 3.895 2.916) 5.316 2.668 ( -6.775 1.741 -6.760) 9.728 2.702 ( -1.695 -2.219 -1.603) 3.220 2.782 ( -7.478 -5.871 -4.427) 10.487 2.984 ( 3.872 3.258 -6.096) 7.923 3.095 ( -4.888 3.231 -1.018) 5.948 3.196 ( -6.574 3.250 2.641) 7.795 3.304 ( -1.867 1.837 1.166) 2.867 3.409 ( -5.285 0.944 4.187) 6.809 3.544 ( 1.963 0.059 1.522) 2.485 3.625 ( 2.229 -1.578 -1.668) 3.199 3.655 ( -3.580 -8.200 1.580) 9.086 3.782 ( 5.126 10.851 3.400) 12.474 3.916 ( 4.834 2.884 -0.740) 5.677 4.002 ( 3.870 1.663 -3.076) 5.216 4.088 ( 7.535 0.562 -4.948) 9.032 4.242 ( -2.840 -1.404 3.862) 4.995 4.363 ( 1.690 -6.675 0.801) 6.932 4.667 ( 0.202 7.235 -0.908) 7.295 4.933 ( -0.678 -1.506 -5.864) 6.092 5.142 ( -2.871 2.918 -4.218) 5.878 5.233 ( 5.723 0.263 -3.451) 6.688 5.292 ( 7.352 -0.344 6.210) 9.630 5.393 ( 1.918 5.830 2.071) 6.478 5.455 ( -2.154 -13.381 2.367) 13.759 5.568 ( -2.614 -1.833 -0.914) 3.321 5.716 ( 2.887 1.604 -1.472) 3.616 5.857 ( -3.486 3.162 -0.621) 4.747 5.990 ( 6.373 -7.843 -1.835) 10.271 6.059 ( -4.313 9.783 2.692) 11.025 6.135 ( -1.165 -6.765 -6.007) 9.122 6.289 ( 1.156 0.598 -0.867) 1.563 6.581 ( -7.596 -4.388 4.947) 10.071 6.657 ( -3.589 -1.748 4.348) 5.903 6.760 ( -9.751 -3.645 4.513) 11.346 6.873 ( -5.132 -7.101 2.001) 8.987 7.170 ( -4.291 9.666 3.209) 11.051 7.247 ( 1.402 3.723 2.577) 4.740 7.453 ( -13.264 0.749 -3.797) 13.817 7.495 ( -8.947 0.423 -3.073) 9.469 8.044 ( 1.044 4.980 2.185) 5.538 8.159 ( 3.838 0.063 2.453) 4.555 8.705 ( -10.230 2.846 -2.318) 10.868 8.828 ( -11.989 -2.184 -5.319) 13.296 8.990 ( -8.312 0.421 -8.178) 11.668 9.021 ( -4.130 -0.056 -6.717) 7.885 9.490 ( -10.306 0.782 5.122) 11.535 9.550 ( -9.876 -2.481 2.657) 10.524 9.822 ( 4.377 -0.402 0.327) 4.408 9.836 ( 2.627 -0.700 0.321) 2.737 10.294 ( -23.055 0.293 -0.071) 23.057 10.301 ( -22.735 0.123 0.705) 22.746 10.807 ( -8.517 -0.522 1.534) 8.670 10.825 ( -8.891 -0.494 1.425) 9.018 11.561 ( 10.344 1.089 1.977) 10.587 11.625 ( 16.810 -0.294 3.029) 17.084 11.683 ( 9.381 0.868 6.855) 11.651 11.816 ( 19.468 -3.875 7.648) 21.272 12.039 ( -0.672 1.525 -2.749) 3.215 12.106 ( 6.460 -1.046 1.963) 6.832 12.242 ( 7.327 0.134 -2.613) 7.780 12.252 ( 2.575 0.150 -3.279) 4.172 12.631 ( 17.142 3.240 -0.906) 17.469 12.764 ( 18.471 -2.507 -1.677) 18.715 12.940 ( 20.185 3.052 -2.097) 20.522 13.075 ( 20.974 -2.827 -2.229) 21.281 13.907 ( -13.662 0.115 0.144) 13.663 13.910 ( -13.034 0.020 -0.187) 13.035 14.563 ( 13.729 0.355 -0.140) 13.734 14.573 ( 14.586 -0.074 -1.270) 14.642 17.226 ( -26.803 1.614 -3.186) 27.040 17.320 ( -24.233 -2.482 -5.462) 24.965 18.174 ( 19.047 0.710 -1.330) 19.106 18.209 ( 18.917 -0.791 -1.842) 19.023 19.509 ( -35.806 2.253 0.940) 35.890 19.588 ( -35.346 -1.203 -1.338) 35.392 20.829 ( 25.589 1.146 0.853) 25.629 20.879 ( 25.125 -1.008 -0.531) 25.151 22.611 ( -9.624 -0.319 0.991) 9.680 22.630 ( -9.651 -0.720 0.254) 9.681 22.981 ( 4.653 1.345 2.426) 5.417 23.033 ( 5.834 -0.884 1.830) 6.177 27.553 ( -3.220 0.055 -0.312) 3.236 27.555 ( -3.033 -0.038 -0.048) 3.033 27.756 ( 6.798 0.417 0.386) 6.822 27.775 ( 7.134 -0.372 -0.045) 7.144 29.610 ( -11.616 0.287 -1.576) 11.726 29.627 ( -12.169 -0.442 -1.406) 12.258 30.015 ( -5.607 0.694 1.141) 5.764 30.064 ( -3.172 -1.834 -1.061) 3.815 30.276 ( -17.099 4.627 -1.901) 17.816 30.468 ( -16.204 -4.240 -8.041) 18.579 30.687 ( -3.831 1.543 0.657) 4.182 30.748 ( -4.013 -1.273 -0.912) 4.308 31.090 ( 0.595 3.915 5.157) 6.502 31.299 ( 6.761 -5.149 2.068) 8.747 31.402 ( 10.920 -0.040 2.407) 11.182 31.427 ( 10.133 -1.683 3.671) 10.908 32.092 ( 2.570 4.170 0.366) 4.913 32.164 ( 3.507 -0.022 -2.092) 4.083 32.282 ( 7.704 2.060 -0.941) 8.030 32.410 ( 14.785 -2.579 -2.263) 15.178 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -13.925 4.571 3.237) 15.009 1.846 ( -5.610 3.427 -3.257) 7.337 2.140 ( -12.965 -1.356 5.553) 14.169 2.179 ( -2.992 -8.751 1.287) 9.338 2.324 ( -0.232 -0.329 0.567) 0.695 2.402 ( -2.288 -4.315 -1.453) 5.095 2.539 ( -2.184 4.397 1.118) 5.035 2.624 ( -0.471 3.240 1.608) 3.648 2.674 ( 0.918 -0.136 1.364) 1.649 2.771 ( 1.050 1.220 -3.879) 4.199 2.846 ( -8.028 6.578 0.862) 10.415 3.111 ( 3.627 0.212 -5.938) 6.961 3.156 ( -1.427 -2.841 6.023) 6.810 3.272 ( -5.483 -3.358 -1.643) 6.636 3.311 ( 2.241 1.597 -2.437) 3.676 3.497 ( -5.462 -2.961 1.835) 6.478 3.615 ( 1.955 1.123 1.914) 2.957 3.782 ( 6.790 -5.003 -4.750) 9.680 3.844 ( -0.400 11.908 3.042) 12.297 3.976 ( -0.297 0.982 -1.336) 1.685 4.048 ( 0.879 -1.131 -1.873) 2.358 4.118 ( -7.396 -0.322 -1.263) 7.509 4.210 ( 2.273 -4.481 -1.464) 5.233 4.309 ( -6.890 -3.206 0.134) 7.601 4.690 ( 1.165 -0.918 -0.877) 1.723 4.844 ( -9.217 -2.573 -0.824) 9.605 5.113 ( 2.545 3.546 -2.315) 4.941 5.176 ( -8.061 0.668 -5.459) 9.758 5.373 ( -7.393 2.165 -1.683) 7.885 5.396 ( -4.893 5.943 2.250) 8.020 5.533 ( 4.658 -5.334 1.195) 7.181 5.554 ( 6.929 -0.988 3.322) 7.747 5.723 ( -6.150 1.979 3.996) 7.597 5.789 ( 2.992 1.863 -0.949) 3.650 5.870 ( -14.979 0.923 3.431) 15.395 6.046 ( 0.697 -7.363 -6.112) 9.595 6.104 ( -1.138 -3.596 -5.889) 6.994 6.283 ( -1.081 -7.464 9.670) 12.263 6.466 ( -6.759 8.149 6.338) 12.340 6.504 ( -0.772 1.224 -0.993) 1.755 6.659 ( -7.135 -7.090 -1.983) 10.253 6.760 ( -4.128 -6.175 3.988) 8.431 6.985 ( -14.415 8.128 4.110) 17.051 7.072 ( -10.303 6.201 -3.551) 12.539 7.390 ( 3.366 -1.531 -0.456) 3.726 7.440 ( 4.711 0.006 -0.790) 4.777 8.041 ( -2.676 4.604 4.306) 6.849 8.157 ( -5.381 -0.722 4.097) 6.801 8.479 ( -8.115 1.781 -4.310) 9.359 8.534 ( -11.726 -0.698 -2.854) 12.089 8.806 ( -7.897 3.465 -7.015) 11.117 8.948 ( -4.091 -2.349 -8.589) 9.799 9.283 ( -9.617 0.663 5.770) 11.235 9.347 ( -9.026 -3.132 4.598) 10.603 9.867 ( -2.452 -0.349 -1.035) 2.684 9.872 ( -1.632 -0.346 -1.156) 2.029 9.988 ( -5.226 0.396 1.829) 5.550 10.000 ( -5.947 0.188 2.633) 6.506 10.619 ( -7.060 0.381 2.314) 7.439 10.657 ( -6.632 -1.120 2.450) 7.158 11.469 ( -10.226 0.166 0.784) 10.258 11.518 ( -10.718 -1.815 0.297) 10.875 11.991 ( -0.648 1.898 -3.881) 4.369 12.064 ( 3.514 0.273 0.859) 3.628 12.107 ( 13.651 1.428 0.778) 13.747 12.273 ( 19.550 -3.973 2.579) 20.115 12.751 ( 29.862 0.228 1.035) 29.880 12.761 ( 30.425 -0.223 0.495) 30.429 12.970 ( 15.570 4.067 -2.057) 16.223 13.120 ( 14.049 -2.503 -1.629) 14.363 13.232 ( 2.393 2.536 -0.742) 3.565 13.356 ( 1.471 -2.771 -1.843) 3.639 13.865 ( 15.024 0.470 -0.265) 15.033 13.888 ( 18.847 -0.485 -0.166) 18.854 14.829 ( 12.084 0.661 0.072) 12.102 14.855 ( 12.772 -0.437 -1.822) 12.909 16.620 ( -31.682 2.093 -3.807) 31.978 16.762 ( -29.953 -4.219 -7.555) 31.178 18.508 ( 3.284 0.678 0.592) 3.405 18.536 ( 3.602 -0.619 1.093) 3.815 18.836 ( -18.470 2.774 -0.488) 18.684 18.919 ( -19.005 -1.045 -3.682) 19.387 21.276 ( 17.738 0.951 0.574) 17.773 21.319 ( 17.494 -0.873 -0.447) 17.521 22.428 ( -7.689 -0.036 0.538) 7.708 22.467 ( -5.961 -0.249 1.441) 6.138 22.990 ( -4.631 1.451 4.048) 6.319 23.074 ( -2.563 -1.849 2.993) 4.352 27.505 ( -1.473 0.096 -0.333) 1.513 27.510 ( -1.458 -0.087 -0.120) 1.466 27.908 ( 7.778 0.617 0.741) 7.838 27.934 ( 8.128 -0.491 0.052) 8.143 29.324 ( -15.650 0.178 -1.621) 15.735 29.335 ( -15.434 -0.326 -0.867) 15.462 29.667 ( -25.492 2.806 0.646) 25.654 29.842 ( -19.054 -6.003 -3.565) 20.293 30.048 ( -8.744 4.459 -3.683) 10.484 30.163 ( -10.413 -1.859 -6.502) 12.416 30.516 ( -10.372 2.356 -1.185) 10.702 30.609 ( -7.739 -1.703 -2.501) 8.310 31.157 ( 3.875 5.008 7.505) 9.819 31.455 ( 6.657 -5.249 -1.223) 8.565 31.618 ( 10.258 -4.557 4.395) 12.054 31.666 ( 12.193 -5.069 5.657) 14.366 32.252 ( 12.818 7.735 1.055) 15.008 32.293 ( 8.795 2.117 -0.832) 9.084 32.473 ( 10.241 4.730 -0.788) 11.308 32.744 ( 17.393 -4.570 -4.306) 18.492 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -10.630 11.420 12.055) 19.717 1.748 ( -20.166 7.547 7.207) 22.706 1.832 ( -0.351 -2.348 11.514) 11.756 2.156 ( -3.145 -5.877 6.566) 9.356 2.335 ( 0.731 1.924 4.786) 5.210 2.401 ( 2.858 -1.286 -10.212) 10.682 2.510 ( -1.678 0.681 -0.077) 1.813 2.596 ( -3.046 -1.115 0.098) 3.245 2.641 ( -4.193 3.671 -4.117) 6.929 2.734 ( -1.272 1.292 5.963) 6.232 2.840 ( 3.673 0.749 -1.725) 4.127 3.106 ( -3.924 -6.219 -6.052) 9.523 3.147 ( -1.678 -2.837 1.626) 3.675 3.208 ( 0.647 -2.523 -1.363) 2.940 3.339 ( -2.542 0.624 -1.228) 2.891 3.410 ( -5.100 -2.291 1.818) 5.879 3.593 ( -4.118 3.511 -2.726) 6.059 3.767 ( -4.697 7.828 -2.723) 9.527 3.816 ( -7.879 -4.044 -4.319) 9.854 3.921 ( -7.502 1.946 -0.066) 7.750 3.973 ( -8.639 1.567 -7.489) 11.540 4.031 ( -1.289 3.062 3.649) 4.935 4.049 ( -2.869 -7.852 -0.586) 8.380 4.266 ( -2.229 -6.370 -2.890) 7.341 4.538 ( -15.007 -1.138 -1.162) 15.095 4.629 ( -10.779 -5.704 -3.414) 12.664 4.988 ( -6.762 5.907 -0.981) 9.032 5.141 ( -4.428 8.263 -0.268) 9.379 5.163 ( -2.131 -1.485 1.662) 3.083 5.334 ( 0.943 2.549 3.530) 4.455 5.554 ( 0.104 -1.915 1.837) 2.656 5.660 ( -0.870 -3.478 3.513) 5.019 5.687 ( -2.557 2.403 3.455) 4.924 5.720 ( 2.977 2.260 -1.038) 3.879 5.797 ( -2.539 0.019 0.824) 2.669 5.997 ( -5.172 -5.706 -6.685) 10.198 6.106 ( 1.588 -6.810 -5.219) 8.725 6.126 ( -13.290 -5.240 -4.235) 14.900 6.351 ( -4.691 1.367 4.066) 6.356 6.530 ( 8.393 9.874 9.813) 16.255 6.551 ( -9.555 -7.935 -0.316) 12.424 6.685 ( 1.673 3.735 4.658) 6.201 6.886 ( 5.946 3.614 3.806) 7.931 6.956 ( -3.060 3.749 0.185) 4.843 7.465 ( 4.010 -1.721 0.897) 4.455 7.589 ( 7.427 -3.192 0.174) 8.086 7.951 ( -5.114 3.201 2.376) 6.484 8.012 ( -5.779 1.125 0.246) 5.892 8.350 ( -7.052 1.024 -0.741) 7.164 8.375 ( -5.079 0.513 -3.211) 6.031 8.688 ( -3.091 3.610 -2.834) 5.533 8.848 ( -5.050 -3.674 -6.546) 9.047 9.110 ( -6.791 1.318 3.677) 7.834 9.216 ( -3.457 -3.372 2.650) 5.508 9.786 ( -3.089 0.682 2.436) 3.992 9.807 ( -2.819 0.841 2.965) 4.177 9.944 ( -3.691 -0.705 2.365) 4.440 9.962 ( 0.633 -1.184 1.866) 2.299 10.558 ( 0.532 0.811 0.582) 1.131 10.591 ( 0.014 -0.537 0.737) 0.912 11.294 ( -5.449 -0.237 0.811) 5.514 11.333 ( -6.083 -1.658 -0.684) 6.342 11.937 ( -3.708 2.409 -5.381) 6.965 12.010 ( -3.945 -0.592 -5.118) 6.489 12.473 ( 15.566 2.576 4.886) 16.517 12.621 ( 11.250 -3.261 1.629) 11.826 12.875 ( -13.197 0.896 -0.259) 13.230 12.934 ( -10.123 -2.738 -0.374) 10.494 13.317 ( 17.163 5.240 -2.132) 18.071 13.470 ( 24.917 -1.518 -0.539) 24.969 13.505 ( 24.190 1.746 0.077) 24.254 13.620 ( 20.653 -3.505 -3.802) 21.291 14.339 ( 24.705 1.065 -0.480) 24.733 14.403 ( 25.373 -1.616 -0.653) 25.433 15.056 ( 9.851 0.633 0.089) 9.872 15.090 ( 9.965 -0.804 -2.302) 10.259 15.957 ( -30.997 1.413 -3.074) 31.181 16.087 ( -34.638 -4.746 -7.839) 35.829 17.992 ( -31.696 1.956 0.220) 31.757 18.028 ( -32.739 0.184 -0.991) 32.754 19.109 ( 23.983 1.582 0.082) 24.035 19.178 ( 24.972 -1.405 -1.130) 25.037 21.555 ( 9.333 0.788 0.260) 9.370 21.593 ( 9.195 -0.872 -0.470) 9.248 22.310 ( -3.766 1.556 1.670) 4.403 22.390 ( -1.861 0.804 1.934) 2.801 22.783 ( -15.308 1.138 4.957) 16.131 22.920 ( -12.250 -3.856 2.934) 13.173 27.488 ( -0.323 0.080 -0.302) 0.449 27.491 ( -0.424 -0.057 -0.137) 0.450 28.068 ( 7.452 0.744 0.836) 7.536 28.096 ( 7.349 -0.510 0.071) 7.367 28.952 ( -22.437 1.400 -2.353) 22.603 29.012 ( -16.165 -1.075 -2.599) 16.408 29.147 ( -20.736 1.815 1.692) 20.884 29.317 ( -28.941 -7.298 -7.851) 30.863 29.843 ( -10.541 7.651 -0.602) 13.039 30.000 ( -6.724 -1.113 -3.696) 7.753 30.315 ( -8.430 2.539 -3.310) 9.406 30.463 ( -5.997 -3.297 -5.527) 8.797 31.228 ( 2.478 5.616 8.835) 10.759 31.558 ( 3.788 -3.803 -4.053) 6.727 31.819 ( 8.647 -8.922 5.562) 13.613 31.902 ( 9.852 -10.732 7.177) 16.240 32.480 ( 9.468 4.049 -0.925) 10.339 32.609 ( 17.077 0.835 5.372) 17.921 32.696 ( 14.242 16.627 -2.679) 22.056 33.103 ( 17.192 -4.191 -5.971) 18.676 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -10.090 9.379 20.957) 25.079 1.460 ( -2.201 18.991 19.119) 27.038 1.736 ( -11.321 -10.568 15.550) 21.947 2.018 ( -10.232 5.838 15.406) 19.394 2.252 ( -13.783 -4.829 12.699) 19.354 2.384 ( -2.949 4.367 -6.664) 8.495 2.513 ( 0.121 -2.316 -0.745) 2.436 2.569 ( 2.206 4.372 -3.907) 6.265 2.589 ( 2.676 -2.629 0.574) 3.795 2.766 ( 2.255 -3.155 -1.030) 4.012 2.869 ( -6.140 4.969 -2.197) 8.199 2.958 ( -7.002 -8.845 2.291) 11.512 2.990 ( -7.626 -2.890 -3.959) 9.065 3.201 ( -3.546 0.298 -5.276) 6.364 3.228 ( -6.197 -2.099 3.047) 7.218 3.303 ( -0.662 -1.609 -5.901) 6.152 3.512 ( -2.890 0.283 -8.988) 9.445 3.583 ( -7.332 2.507 0.432) 7.760 3.710 ( -9.842 -1.965 -8.265) 13.001 3.736 ( -0.666 -1.206 -3.033) 3.331 3.798 ( -2.425 3.722 -6.650) 7.997 4.005 ( -1.387 -7.310 -0.502) 7.457 4.128 ( 3.290 2.237 -7.415) 8.415 4.216 ( 2.360 -0.108 -4.905) 5.445 4.407 ( -0.111 -1.948 1.541) 2.487 4.472 ( -1.271 -2.055 -2.088) 3.193 4.912 ( -3.054 2.607 2.061) 4.514 5.076 ( -5.641 -3.331 -1.409) 6.701 5.117 ( -1.001 5.991 5.806) 8.403 5.359 ( -0.253 2.491 2.714) 3.693 5.556 ( -1.237 -2.092 1.554) 2.885 5.624 ( -2.763 -1.745 4.861) 5.858 5.654 ( -2.142 2.885 4.975) 6.137 5.715 ( -0.365 2.568 -1.399) 2.947 5.740 ( -1.354 2.253 -1.323) 2.943 5.882 ( -3.099 -3.000 -4.260) 6.062 5.996 ( 0.810 -0.437 -5.752) 5.826 6.132 ( 0.615 -6.531 -3.306) 7.346 6.301 ( -1.837 -1.663 0.838) 2.616 6.379 ( -5.929 -5.158 -1.429) 7.987 6.667 ( 2.983 8.626 4.094) 10.004 6.826 ( 8.887 4.412 5.541) 11.365 6.912 ( -0.078 1.668 6.484) 6.695 7.095 ( 12.128 -0.047 6.866) 13.936 7.553 ( 4.194 -2.635 1.027) 5.059 7.683 ( 0.758 -3.703 2.004) 4.279 7.852 ( -4.774 1.148 2.933) 5.719 7.946 ( -1.930 -1.103 -0.173) 2.230 8.188 ( -7.291 2.564 -3.114) 8.333 8.281 ( -3.207 -0.552 -5.763) 6.618 8.657 ( -0.934 0.620 -0.796) 1.375 8.743 ( -4.561 -3.616 -1.337) 5.971 9.033 ( -0.612 4.687 3.204) 5.710 9.212 ( 2.882 -1.515 -0.369) 3.277 9.702 ( -3.855 1.422 6.084) 7.342 9.791 ( -1.081 -0.800 3.951) 4.174 9.876 ( -1.248 1.137 2.988) 3.432 9.994 ( 1.659 -2.751 2.112) 3.845 10.583 ( 0.629 1.185 -1.164) 1.776 10.616 ( 1.252 -0.058 -1.695) 2.108 11.267 ( 2.112 -0.709 0.591) 2.305 11.287 ( 1.250 -1.224 -1.035) 2.032 11.847 ( -4.060 2.499 -3.692) 6.030 11.920 ( -3.992 -0.188 -5.732) 6.987 12.578 ( -9.497 0.393 2.194) 9.755 12.587 ( -11.084 0.250 0.809) 11.116 12.723 ( 7.387 2.834 3.317) 8.580 12.893 ( 2.959 -4.720 -1.991) 5.916 13.618 ( 11.674 5.466 -2.113) 13.062 13.878 ( 12.597 -4.385 -1.601) 13.434 13.929 ( 14.928 1.142 -0.166) 14.973 14.003 ( 12.886 -3.994 -6.049) 14.785 14.751 ( 13.432 0.709 -0.733) 13.470 14.810 ( 11.359 -2.131 -1.267) 11.627 15.188 ( -0.034 0.250 -0.392) 0.466 15.217 ( -1.492 -1.334 -2.105) 2.905 15.463 ( -13.273 0.439 -1.060) 13.322 15.493 ( -11.320 0.030 -1.398) 11.406 17.409 ( -23.187 1.283 -0.427) 23.227 17.437 ( -22.357 0.506 -1.089) 22.389 19.620 ( 23.560 2.117 1.598) 23.709 19.726 ( 25.897 -2.653 -0.574) 26.038 21.665 ( 1.671 0.497 -0.163) 1.751 21.696 ( 0.836 -0.905 -0.571) 1.358 22.265 ( -1.554 4.391 1.847) 5.011 22.324 ( -10.170 6.726 1.659) 12.305 22.470 ( -7.848 -3.514 4.415) 9.666 22.630 ( -12.924 -7.089 1.688) 14.837 27.487 ( 0.089 0.039 -0.154) 0.182 27.489 ( 0.171 0.035 -0.137) 0.222 28.200 ( 4.937 0.558 0.486) 4.992 28.219 ( 4.217 -0.298 -0.015) 4.228 28.457 ( -20.968 1.136 -0.628) 21.009 28.547 ( -27.524 -3.350 -7.454) 28.711 28.867 ( -8.351 0.129 1.355) 8.461 28.883 ( -10.118 -0.434 0.908) 10.168 29.643 ( -8.100 10.287 3.327) 13.510 29.878 ( -4.606 -1.466 -3.289) 5.846 30.181 ( -4.431 2.147 -4.898) 6.945 30.365 ( -3.088 -4.986 -8.735) 10.521 31.263 ( 0.531 5.515 9.184) 10.726 31.612 ( 1.624 -4.726 -4.370) 6.638 31.964 ( 4.802 -11.815 6.878) 14.490 32.066 ( 5.738 -11.478 5.968) 14.152 32.647 ( 6.319 5.464 0.519) 8.370 32.789 ( 4.099 1.741 0.662) 4.502 33.142 ( 22.055 13.983 -2.598) 26.243 33.409 ( 11.608 -1.080 -6.808) 13.501 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -3.456 -17.083 15.948) 23.624 1.286 ( -3.456 17.083 15.948) 23.624 1.704 ( -5.637 -15.475 20.908) 26.616 1.704 ( -5.637 15.475 20.908) 26.616 2.327 ( 2.467 -20.473 5.669) 21.386 2.327 ( 2.467 20.473 5.669) 21.386 2.515 ( 2.876 -4.361 -2.113) 5.635 2.515 ( 2.876 4.361 -2.113) 5.635 2.654 ( -1.663 -7.242 0.342) 7.438 2.654 ( -1.663 7.242 0.342) 7.438 2.845 ( 1.752 -2.897 -0.998) 3.529 2.845 ( 1.752 2.897 -0.998) 3.529 2.994 ( -1.128 -6.458 -3.797) 7.576 2.994 ( -1.128 6.458 -3.797) 7.576 3.276 ( 5.107 -5.952 -4.800) 9.195 3.276 ( 5.107 5.952 -4.800) 9.195 3.475 ( -5.182 -3.242 -1.222) 6.234 3.475 ( -5.182 3.242 -1.222) 6.234 3.711 ( 5.893 -6.870 -5.443) 10.562 3.711 ( 5.893 6.870 -5.443) 10.562 3.869 ( 0.634 -5.789 -5.797) 8.216 3.869 ( 0.634 5.789 -5.797) 8.216 4.233 ( 0.610 -5.463 -9.926) 11.346 4.233 ( 0.610 5.463 -9.926) 11.346 4.448 ( 2.033 -2.193 0.162) 2.995 4.448 ( 2.033 2.193 0.162) 2.995 4.855 ( -5.408 -2.587 1.759) 6.248 4.855 ( -5.408 2.587 1.759) 6.248 5.293 ( 0.831 -7.862 4.314) 9.006 5.293 ( 0.831 7.862 4.314) 9.006 5.513 ( -4.840 -4.701 5.087) 8.450 5.513 ( -4.840 4.701 5.087) 8.450 5.686 ( -0.235 -2.656 3.369) 4.296 5.686 ( -0.235 2.656 3.369) 4.296 5.843 ( 2.904 -2.024 -3.655) 5.088 5.843 ( 2.904 2.024 -3.655) 5.088 6.085 ( 2.994 -2.328 -3.894) 5.436 6.085 ( 2.994 2.328 -3.894) 5.436 6.253 ( 0.241 -2.083 -2.257) 3.081 6.253 ( 0.241 2.083 -2.257) 3.081 6.857 ( -1.768 -6.979 9.062) 11.574 6.857 ( -1.768 6.979 9.062) 11.574 7.100 ( 1.360 -10.535 -0.996) 10.669 7.100 ( 1.360 10.535 -0.996) 10.669 7.608 ( 1.204 -2.920 4.528) 5.520 7.608 ( 1.204 2.920 4.528) 5.520 7.811 ( -3.341 -4.580 2.634) 6.251 7.811 ( -3.341 4.580 2.634) 6.251 8.191 ( 0.524 -5.442 -5.775) 7.952 8.191 ( 0.524 5.442 -5.775) 7.952 8.615 ( -3.485 -2.406 -0.118) 4.237 8.615 ( -3.485 2.406 -0.118) 4.237 9.245 ( 5.695 -7.396 2.122) 9.573 9.245 ( 5.695 7.396 2.122) 9.573 9.722 ( 1.316 -2.847 4.248) 5.281 9.722 ( 1.316 2.847 4.248) 5.281 9.932 ( -1.364 -3.970 3.213) 5.286 9.932 ( -1.364 3.970 3.213) 5.286 10.590 ( -2.406 -1.409 -2.017) 3.441 10.590 ( -2.406 1.409 -2.017) 3.441 11.318 ( 1.721 -0.450 -0.344) 1.812 11.318 ( 1.721 0.450 -0.344) 1.812 11.831 ( -2.333 -2.286 -3.021) 4.449 11.831 ( -2.333 2.286 -3.021) 4.449 12.471 ( 1.281 -0.431 0.357) 1.398 12.471 ( 1.281 0.431 0.357) 1.398 12.895 ( 3.514 -4.042 -0.711) 5.403 12.895 ( 3.514 4.042 -0.711) 5.403 13.808 ( -1.979 -3.287 -2.953) 4.841 13.808 ( -1.979 3.287 -2.953) 4.841 14.101 ( -0.416 -0.639 -0.520) 0.923 14.101 ( -0.416 0.639 -0.520) 0.923 14.864 ( 0.382 -0.552 -0.608) 0.906 14.864 ( 0.382 0.552 -0.608) 0.906 15.160 ( -0.522 -0.600 -0.383) 0.883 15.160 ( -0.522 0.600 -0.383) 0.883 15.463 ( 0.311 -0.871 -0.187) 0.944 15.463 ( 0.311 0.871 -0.187) 0.944 17.181 ( 1.415 -2.688 -1.536) 3.404 17.181 ( 1.415 2.688 -1.536) 3.404 19.979 ( 0.580 -3.470 0.890) 3.629 19.979 ( 0.580 3.470 0.890) 3.629 21.662 ( -0.244 -0.270 -0.692) 0.782 21.662 ( -0.244 0.270 -0.692) 0.782 22.224 ( -2.184 -4.520 1.673) 5.291 22.224 ( -2.184 4.520 1.673) 5.291 22.440 ( 2.028 -4.290 2.785) 5.502 22.440 ( 2.028 4.290 2.785) 5.502 27.491 ( 0.025 -0.182 -0.019) 0.184 27.491 ( 0.025 0.182 -0.019) 0.184 28.223 ( 1.045 -0.320 -0.133) 1.101 28.223 ( 1.045 0.320 -0.133) 1.101 28.260 ( -0.281 -0.031 0.008) 0.282 28.260 ( -0.281 0.031 0.008) 0.282 28.793 ( 0.594 -0.601 1.259) 1.516 28.793 ( 0.594 0.601 1.259) 1.516 29.745 ( -0.254 -7.604 -1.625) 7.780 29.745 ( -0.254 7.604 -1.625) 7.780 30.204 ( -0.236 -6.435 -7.374) 9.790 30.204 ( -0.236 6.435 -7.374) 9.790 31.405 ( -2.280 -11.283 9.029) 14.630 31.405 ( -2.280 11.283 9.029) 14.630 31.995 ( 1.821 -6.018 1.197) 6.400 31.995 ( 1.821 6.018 1.197) 6.400 32.808 ( -0.182 -3.111 2.815) 4.199 32.808 ( -0.182 3.111 2.815) 4.199 33.516 ( -0.653 -3.022 -9.137) 9.646 33.516 ( -0.653 3.022 -9.137) 9.646 ======================= Grid point 127 (70/108) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 11.173 -17.044 12.586) 23.953 1.374 ( 11.173 17.044 12.586) 23.953 1.771 ( 7.884 -19.153 14.984) 25.564 1.771 ( 7.884 19.153 14.984) 25.564 2.450 ( 4.657 -2.913 3.043) 6.279 2.450 ( 4.657 2.913 3.043) 6.279 2.579 ( 1.699 -3.325 -1.180) 3.916 2.579 ( 1.699 3.325 -1.180) 3.916 2.684 ( 9.305 -12.029 2.369) 15.391 2.684 ( 9.305 12.029 2.369) 15.391 2.891 ( 3.595 -1.867 -3.683) 5.475 2.891 ( 3.595 1.867 -3.683) 5.475 3.042 ( 4.493 -5.283 -4.962) 8.528 3.042 ( 4.493 5.283 -4.962) 8.528 3.349 ( 2.177 -1.153 -0.956) 2.642 3.349 ( 2.177 1.153 -0.956) 2.642 3.466 ( 3.717 -4.300 2.813) 6.341 3.466 ( 3.717 4.300 2.813) 6.341 3.749 ( -1.301 -1.629 -1.031) 2.325 3.749 ( -1.301 1.629 -1.031) 2.325 3.918 ( 0.997 -3.556 -11.878) 12.439 3.918 ( 0.997 3.556 -11.878) 12.439 4.187 ( -2.289 -2.384 -6.058) 6.901 4.187 ( -2.289 2.384 -6.058) 6.901 4.556 ( 6.579 -1.526 -5.060) 8.439 4.556 ( 6.579 1.526 -5.060) 8.439 4.812 ( 4.950 -1.497 4.436) 6.814 4.812 ( 4.950 1.497 4.436) 6.814 5.329 ( 1.347 -7.533 5.281) 9.298 5.329 ( 1.347 7.533 5.281) 9.298 5.428 ( -2.108 -5.530 4.043) 7.168 5.428 ( -2.108 5.530 4.043) 7.168 5.659 ( -2.999 -1.368 2.466) 4.117 5.659 ( -2.999 1.368 2.466) 4.117 5.901 ( 2.178 -1.970 -1.894) 3.495 5.901 ( 2.178 1.970 -1.894) 3.495 6.130 ( 1.488 -1.565 -5.265) 5.691 6.130 ( 1.488 1.565 -5.265) 5.691 6.307 ( 5.342 -3.697 -2.202) 6.860 6.307 ( 5.342 3.697 -2.202) 6.860 6.766 ( -6.334 -5.573 8.747) 12.152 6.766 ( -6.334 5.573 8.747) 12.152 7.089 ( -1.403 -12.451 -0.842) 12.558 7.089 ( -1.403 12.451 -0.842) 12.558 7.598 ( -3.410 -7.780 4.437) 9.584 7.598 ( -3.410 7.780 4.437) 9.584 7.831 ( 5.870 -2.181 2.621) 6.789 7.831 ( 5.870 2.181 2.621) 6.789 8.209 ( 0.400 -7.937 -4.984) 9.380 8.209 ( 0.400 7.937 -4.984) 9.380 8.594 ( 2.586 -3.283 -0.106) 4.180 8.594 ( 2.586 3.283 -0.106) 4.180 9.328 ( 2.615 -5.781 -0.087) 6.346 9.328 ( 2.615 5.781 -0.087) 6.346 9.805 ( 5.748 -1.239 4.135) 7.189 9.805 ( 5.748 1.239 4.135) 7.189 9.897 ( -1.271 -1.570 3.122) 3.718 9.897 ( -1.271 1.570 3.122) 3.718 10.513 ( -4.753 -0.664 -0.623) 4.840 10.513 ( -4.753 0.664 -0.623) 4.840 11.335 ( 1.107 -0.588 -0.906) 1.547 11.335 ( 1.107 0.588 -0.906) 1.547 11.782 ( -2.157 -2.600 -1.878) 3.865 11.782 ( -2.157 2.600 -1.878) 3.865 12.637 ( 13.337 -0.991 -0.180) 13.375 12.637 ( 13.337 0.991 -0.180) 13.375 12.918 ( -2.637 -7.843 -2.003) 8.513 12.918 ( -2.637 7.843 -2.003) 8.513 13.698 ( -10.211 -3.718 -3.278) 11.350 13.698 ( -10.211 3.718 -3.278) 11.350 13.932 ( -15.713 -0.944 -0.498) 15.749 13.932 ( -15.713 0.944 -0.498) 15.749 14.783 ( -12.371 -0.402 -0.996) 12.417 14.783 ( -12.371 0.402 -0.996) 12.417 15.197 ( 1.908 -0.184 -0.685) 2.036 15.197 ( 1.908 0.184 -0.685) 2.036 15.471 ( 9.355 -0.900 -0.489) 9.411 15.471 ( 9.355 0.900 -0.489) 9.411 17.483 ( 25.133 -5.758 -2.979) 25.956 17.483 ( 25.133 5.758 -2.979) 25.956 19.684 ( -24.543 -1.061 0.554) 24.572 19.684 ( -24.543 1.061 0.554) 24.572 21.677 ( -0.887 -0.496 -0.612) 1.186 21.677 ( -0.887 0.496 -0.612) 1.186 22.353 ( 9.437 -5.430 2.770) 11.235 22.353 ( 9.437 5.430 2.770) 11.235 22.490 ( 6.175 -8.980 2.809) 11.255 22.490 ( 6.175 8.980 2.809) 11.255 27.489 ( -0.112 -0.216 -0.098) 0.263 27.489 ( -0.112 0.216 -0.098) 0.263 28.201 ( -4.842 -0.309 0.304) 4.862 28.201 ( -4.842 0.309 0.304) 4.862 28.532 ( 25.765 -5.045 -3.557) 26.494 28.532 ( 25.765 5.045 -3.557) 26.494 28.893 ( 9.048 -1.072 1.199) 9.190 28.893 ( 9.048 1.072 1.199) 9.190 29.797 ( 4.937 -5.680 -2.216) 7.845 29.797 ( 4.937 5.680 -2.216) 7.845 30.240 ( 4.011 -6.483 -6.807) 10.220 30.240 ( 4.011 6.483 -6.807) 10.220 31.344 ( -3.813 -9.979 9.500) 14.296 31.344 ( -3.813 9.979 9.500) 14.296 31.989 ( -2.568 -6.339 0.973) 6.908 31.989 ( -2.568 6.339 0.973) 6.908 32.744 ( -5.992 -1.944 3.104) 7.022 32.744 ( -5.992 1.944 3.104) 7.022 33.311 ( -17.064 -5.074 -7.073) 19.156 33.311 ( -17.064 5.074 -7.073) 19.156 ======================= Grid point 129 (71/108) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 18.067 -11.269 5.856) 22.084 1.705 ( 18.067 11.269 5.856) 22.084 1.899 ( 4.578 -17.181 9.038) 19.946 1.899 ( 4.578 17.181 9.038) 19.946 2.495 ( 0.856 -3.450 -1.805) 3.986 2.495 ( 0.856 3.450 -1.805) 3.986 2.578 ( -0.019 -1.349 -3.012) 3.300 2.578 ( -0.019 1.349 -3.012) 3.300 2.817 ( -2.927 -8.994 -3.685) 10.150 2.817 ( -2.927 8.994 -3.685) 10.150 2.941 ( 2.404 -4.375 -5.626) 7.522 2.941 ( 2.404 4.375 -5.626) 7.522 3.248 ( 11.414 -5.626 5.787) 13.979 3.248 ( 11.414 5.626 5.787) 13.979 3.465 ( 2.419 -5.092 0.517) 5.661 3.465 ( 2.419 5.092 0.517) 5.661 3.545 ( 10.698 -1.338 3.075) 11.211 3.545 ( 10.698 1.338 3.075) 11.211 3.756 ( 3.616 -5.427 -0.252) 6.526 3.756 ( 3.616 5.427 -0.252) 6.526 3.897 ( -0.479 -4.107 -5.106) 6.570 3.897 ( -0.479 4.107 -5.106) 6.570 4.172 ( 0.607 -1.983 -1.801) 2.747 4.172 ( 0.607 1.983 -1.801) 2.747 4.584 ( 0.810 -2.321 -5.582) 6.099 4.584 ( 0.810 2.321 -5.582) 6.099 5.076 ( 8.380 -8.374 0.384) 11.853 5.076 ( 8.380 8.374 0.384) 11.853 5.338 ( 1.919 -5.017 6.827) 8.687 5.338 ( 1.919 5.017 6.827) 8.687 5.432 ( 0.457 -9.282 0.558) 9.310 5.432 ( 0.457 9.282 0.558) 9.310 5.624 ( 3.310 -1.758 2.872) 4.721 5.624 ( 3.310 1.758 2.872) 4.721 5.919 ( -0.611 -3.650 -1.596) 4.030 5.919 ( -0.611 3.650 -1.596) 4.030 6.163 ( 3.671 -3.990 -7.084) 8.920 6.163 ( 3.671 3.990 -7.084) 8.920 6.453 ( 6.546 -9.280 1.568) 11.464 6.453 ( 6.546 9.280 1.568) 11.464 6.665 ( -1.934 -6.103 6.839) 9.368 6.665 ( -1.934 6.103 6.839) 9.368 7.060 ( -0.375 -12.551 -0.952) 12.593 7.060 ( -0.375 12.551 -0.952) 12.593 7.524 ( -2.680 -9.842 1.304) 10.283 7.524 ( -2.680 9.842 1.304) 10.283 8.002 ( 9.427 -1.224 1.912) 9.697 8.002 ( 9.427 1.224 1.912) 9.697 8.207 ( 0.508 -9.024 0.224) 9.042 8.207 ( 0.508 9.024 0.224) 9.042 8.717 ( 8.569 -3.440 -3.988) 10.058 8.717 ( 8.569 3.440 -3.988) 10.058 9.400 ( 5.150 -3.604 -1.052) 6.373 9.400 ( 5.150 3.604 -1.052) 6.373 9.843 ( -0.890 -0.342 0.722) 1.196 9.843 ( -0.890 0.342 0.722) 1.196 9.970 ( 5.986 -2.507 3.157) 7.217 9.970 ( 5.986 2.507 3.157) 7.217 10.422 ( -2.740 -0.947 2.480) 3.815 10.422 ( -2.740 0.947 2.480) 3.815 11.405 ( 6.099 -0.436 -1.170) 6.226 11.405 ( 6.099 0.436 -1.170) 6.226 11.751 ( -0.778 -2.131 -0.119) 2.272 11.751 ( -0.778 2.131 -0.119) 2.272 12.756 ( -11.917 -7.463 -1.513) 14.142 12.756 ( -11.917 7.463 -1.513) 14.142 12.951 ( 13.702 -1.255 -0.745) 13.779 12.951 ( 13.702 1.255 -0.745) 13.779 13.360 ( -22.287 -2.878 -1.684) 22.536 13.360 ( -22.287 2.878 -1.684) 22.536 13.521 ( -20.614 -0.922 -0.683) 20.646 13.521 ( -20.614 0.922 -0.683) 20.646 14.375 ( -25.031 -0.425 -0.784) 25.047 14.375 ( -25.031 0.425 -0.784) 25.047 15.069 ( -10.419 -1.494 -0.765) 10.554 15.069 ( -10.419 1.494 -0.765) 10.554 15.993 ( 33.825 -0.463 -3.955) 34.058 15.993 ( 33.825 0.463 -3.955) 34.058 18.095 ( 32.462 -5.563 -2.775) 33.052 18.095 ( 32.462 5.563 -2.775) 33.052 19.149 ( -25.005 -0.152 -0.387) 25.008 19.149 ( -25.005 0.152 -0.387) 25.008 21.577 ( -9.024 -0.804 -0.427) 9.070 21.577 ( -9.024 0.804 -0.427) 9.070 22.428 ( 1.831 -1.223 1.880) 2.896 22.428 ( 1.831 1.223 1.880) 2.896 22.766 ( 14.140 -6.435 4.390) 16.144 22.766 ( 14.140 6.435 4.390) 16.144 27.491 ( 0.389 -0.267 -0.198) 0.512 27.491 ( 0.389 0.267 -0.198) 0.512 28.073 ( -7.269 -0.579 0.535) 7.311 28.073 ( -7.269 0.579 0.535) 7.311 29.074 ( 19.654 -2.365 -4.261) 20.249 29.074 ( 19.654 2.365 -4.261) 20.249 29.209 ( 25.569 -6.378 -0.742) 26.362 29.209 ( 25.569 6.378 -0.742) 26.362 29.922 ( 6.785 -2.814 -3.018) 7.942 29.922 ( 6.785 2.814 -3.018) 7.942 30.358 ( 7.549 -5.239 -5.118) 10.518 30.358 ( 7.549 5.239 -5.118) 10.518 31.267 ( -3.923 -8.103 9.144) 12.832 31.267 ( -3.923 8.103 9.144) 12.832 31.888 ( -7.321 -5.556 1.161) 9.264 31.888 ( -7.321 5.556 1.161) 9.264 32.572 ( -10.668 -5.095 3.027) 12.204 32.572 ( -10.668 5.095 3.027) 12.204 32.910 ( -19.441 -8.101 -5.113) 21.673 32.910 ( -19.441 8.101 -5.113) 21.673 ======================= Grid point 131 (72/108) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.038 -7.582 3.988) 9.090 1.925 ( 3.038 7.582 3.988) 9.090 2.087 ( 11.557 -3.927 1.142) 12.259 2.087 ( 11.557 3.927 1.142) 12.259 2.527 ( 2.268 -3.537 -2.667) 4.977 2.527 ( 2.268 3.537 -2.667) 4.977 2.591 ( 0.030 -1.247 -0.605) 1.386 2.591 ( 0.030 1.247 -0.605) 1.386 2.737 ( 0.075 -2.680 -0.803) 2.799 2.737 ( 0.075 2.680 -0.803) 2.799 2.948 ( -0.419 -3.792 -4.858) 6.177 2.948 ( -0.419 3.792 -4.858) 6.177 3.377 ( 3.693 -3.894 0.646) 5.406 3.377 ( 3.693 3.894 0.646) 5.406 3.519 ( 2.183 -9.465 0.299) 9.718 3.519 ( 2.183 9.465 0.299) 9.718 3.677 ( 3.088 -7.133 -1.486) 7.914 3.677 ( 3.088 7.133 -1.486) 7.914 3.813 ( -2.347 -1.720 -1.493) 3.270 3.813 ( -2.347 1.720 -1.493) 3.270 3.963 ( 3.361 -4.962 2.001) 6.319 3.963 ( 3.361 4.962 2.001) 6.319 4.212 ( 3.663 -1.303 2.330) 4.532 4.212 ( 3.663 1.303 2.330) 4.532 4.721 ( 12.286 -1.003 -4.490) 13.119 4.721 ( 12.286 1.003 -4.490) 13.119 5.012 ( -8.726 -2.473 2.176) 9.328 5.012 ( -8.726 2.473 2.176) 9.328 5.244 ( -6.198 -4.544 4.348) 8.830 5.244 ( -6.198 4.544 4.348) 8.830 5.578 ( 6.105 -8.837 0.741) 10.766 5.578 ( 6.105 8.837 0.741) 10.766 5.762 ( 6.397 -2.019 1.495) 6.873 5.762 ( 6.397 2.019 1.495) 6.873 5.875 ( -2.793 -3.306 -4.097) 5.960 5.875 ( -2.793 3.306 -4.097) 5.960 6.292 ( 5.624 -1.379 -2.787) 6.426 6.292 ( 5.624 1.379 -2.787) 6.426 6.495 ( 1.342 -3.097 4.155) 5.353 6.495 ( 1.342 3.097 4.155) 5.353 6.729 ( 4.334 -2.412 3.928) 6.327 6.729 ( 4.334 2.412 3.928) 6.327 7.154 ( 9.967 -8.043 -2.449) 13.039 7.154 ( 9.967 8.043 -2.449) 13.039 7.515 ( 2.407 -7.481 -1.239) 7.956 7.515 ( 2.407 7.481 -1.239) 7.956 8.117 ( 0.344 -3.957 5.409) 6.711 8.117 ( 0.344 3.957 5.409) 6.711 8.336 ( 13.245 -2.140 -0.959) 13.451 8.336 ( 13.245 2.140 -0.959) 13.451 8.908 ( 9.701 -1.012 -7.487) 12.296 8.908 ( 9.701 1.012 -7.487) 12.296 9.529 ( 6.409 -2.618 0.079) 6.924 9.529 ( 6.409 2.618 0.079) 6.924 9.833 ( -0.390 -0.400 0.155) 0.580 9.833 ( -0.390 0.400 0.155) 0.580 10.076 ( 6.478 -1.207 -2.136) 6.927 10.076 ( 6.478 1.207 -2.136) 6.927 10.463 ( 6.683 -2.601 6.840) 9.910 10.463 ( 6.683 2.601 6.840) 9.910 11.563 ( 8.011 -0.476 -0.655) 8.052 11.563 ( 8.011 0.476 -0.655) 8.052 11.746 ( 0.160 -1.026 3.244) 3.406 11.746 ( 0.160 1.026 3.244) 3.406 12.436 ( -18.586 -5.491 -1.906) 19.474 12.436 ( -18.586 5.491 -1.906) 19.474 12.741 ( -29.293 -0.215 0.502) 29.298 12.741 ( -29.293 0.215 0.502) 29.298 13.022 ( -15.311 -2.504 -1.752) 15.613 13.022 ( -15.311 2.504 -1.752) 15.613 13.337 ( -0.028 -0.537 -1.209) 1.324 13.337 ( -0.028 0.537 -1.209) 1.324 13.880 ( -16.378 -0.251 -0.316) 16.383 13.880 ( -16.378 0.251 -0.316) 16.383 14.827 ( -12.854 -1.455 -0.593) 12.950 14.827 ( -12.854 1.455 -0.593) 12.950 16.689 ( 32.481 -0.593 -5.098) 32.884 16.689 ( 32.481 0.593 -5.098) 32.884 18.550 ( -9.951 -0.339 0.060) 9.957 18.550 ( -9.951 0.339 0.060) 9.957 18.914 ( 23.462 -4.335 -2.720) 24.014 18.914 ( 23.462 4.335 -2.720) 24.014 21.303 ( -17.617 -0.984 -0.154) 17.645 21.303 ( -17.617 0.984 -0.154) 17.645 22.498 ( 5.311 -0.715 1.053) 5.461 22.498 ( 5.311 0.715 1.053) 5.461 22.967 ( 4.719 -3.659 3.897) 7.131 22.967 ( 4.719 3.659 3.897) 7.131 27.509 ( 1.494 -0.292 -0.227) 1.539 27.509 ( 1.494 0.292 -0.227) 1.539 27.916 ( -7.763 -0.590 0.440) 7.798 27.916 ( -7.763 0.590 0.440) 7.798 29.409 ( 15.138 -0.858 -1.937) 15.285 29.409 ( 15.138 0.858 -1.937) 15.285 29.762 ( 23.866 -7.176 -1.953) 24.998 29.762 ( 23.866 7.176 -1.953) 24.998 30.059 ( 7.057 -0.503 -3.613) 7.944 30.059 ( 7.057 0.503 -3.613) 7.944 30.535 ( 9.534 -3.097 -2.663) 10.372 30.535 ( 9.534 3.097 -2.663) 10.372 31.198 ( -3.059 -5.967 7.533) 10.085 31.198 ( -3.059 5.967 7.533) 10.085 31.691 ( -11.647 -3.451 1.571) 12.249 31.691 ( -11.647 3.451 1.571) 12.249 32.335 ( -11.246 -5.740 0.715) 12.647 32.335 ( -11.246 5.740 0.715) 12.647 32.562 ( -14.068 -6.325 -3.123) 15.737 32.562 ( -14.068 6.325 -3.123) 15.737 ======================= Grid point 133 (73/108) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.872 -2.647 5.040) 5.759 1.942 ( -0.872 2.647 5.040) 5.759 2.277 ( 7.357 -3.138 -1.242) 8.094 2.277 ( 7.357 3.138 -1.242) 8.094 2.518 ( -3.380 -4.432 -1.157) 5.692 2.518 ( -3.380 4.432 -1.157) 5.692 2.572 ( 0.560 -4.097 0.570) 4.174 2.572 ( 0.560 4.097 0.570) 4.174 2.821 ( 4.537 -4.891 -1.494) 6.836 2.821 ( 4.537 4.891 -1.494) 6.836 2.997 ( 4.152 -5.046 -2.280) 6.921 2.997 ( 4.152 5.046 -2.280) 6.921 3.394 ( -4.445 -6.660 -5.934) 9.967 3.394 ( -4.445 6.660 -5.935) 9.967 3.559 ( 3.366 -5.554 1.684) 6.710 3.559 ( 3.366 5.554 1.684) 6.710 3.721 ( 1.016 -1.937 -0.905) 2.367 3.721 ( 1.016 1.937 -0.905) 2.367 3.774 ( 0.151 -1.066 0.517) 1.194 3.774 ( 0.151 1.066 0.517) 1.194 3.943 ( -2.280 -5.183 0.092) 5.663 3.943 ( -2.280 5.183 0.092) 5.663 4.260 ( -1.015 -1.917 2.516) 3.322 4.260 ( -1.015 1.917 2.516) 3.322 4.886 ( 0.034 -4.516 0.515) 4.545 4.886 ( 0.034 4.516 0.515) 4.545 4.935 ( 4.881 -2.767 -2.674) 6.215 4.935 ( 4.881 2.767 -2.674) 6.215 5.192 ( 1.608 -5.852 5.349) 8.090 5.192 ( 1.608 5.852 5.349) 8.090 5.622 ( -1.151 -4.429 0.340) 4.588 5.622 ( -1.151 4.429 0.340) 4.588 5.768 ( -3.738 -3.548 -2.996) 5.961 5.768 ( -3.738 3.548 -2.996) 5.961 5.907 ( 4.748 -1.355 -3.026) 5.791 5.907 ( 4.748 1.355 -3.026) 5.791 6.313 ( -1.150 -7.324 1.616) 7.588 6.313 ( -1.150 7.324 1.616) 7.588 6.547 ( 1.217 -7.106 1.387) 7.341 6.547 ( 1.217 7.106 1.387) 7.341 6.833 ( 5.739 -5.142 4.824) 9.091 6.833 ( 5.739 5.142 4.824) 9.091 7.310 ( 2.762 -4.035 0.689) 4.938 7.310 ( 2.762 4.035 0.689) 4.938 7.630 ( 6.770 -2.247 -4.501) 8.435 7.630 ( 6.770 2.247 -4.501) 8.435 8.097 ( -1.595 -1.459 4.925) 5.379 8.097 ( -1.595 1.459 4.925) 5.379 8.637 ( 13.646 -1.446 -1.794) 13.839 8.637 ( 13.646 1.446 -1.794) 13.839 9.090 ( 7.334 -1.779 -9.743) 12.324 9.090 ( 7.334 1.779 -9.743) 12.324 9.617 ( 1.874 -2.830 2.964) 4.506 9.617 ( 1.874 2.830 2.964) 4.506 9.824 ( -0.208 -0.770 -1.081) 1.344 9.824 ( -0.208 0.770 -1.081) 1.344 10.349 ( 21.043 -0.494 -2.347) 21.179 10.349 ( 21.043 0.494 -2.347) 21.179 10.662 ( 11.366 -4.259 5.830) 13.465 10.662 ( 11.366 4.259 5.830) 13.465 11.618 ( -9.910 -0.339 2.173) 10.151 11.618 ( -9.910 0.339 2.173) 10.151 11.679 ( -12.965 -2.024 7.963) 15.349 11.679 ( -12.965 2.024 7.963) 15.349 12.039 ( -6.871 -5.914 -1.201) 9.145 12.039 ( -6.871 5.914 -1.201) 9.145 12.353 ( -5.627 -0.562 -2.932) 6.370 12.353 ( -5.627 0.562 -2.932) 6.370 12.672 ( -17.012 -0.909 -1.165) 17.076 12.672 ( -17.012 0.909 -1.165) 17.076 13.028 ( -21.985 -0.423 -2.081) 22.087 13.028 ( -21.985 0.423 -2.081) 22.087 13.938 ( 13.887 -0.413 -0.283) 13.896 13.938 ( 13.887 0.413 -0.283) 13.896 14.545 ( -14.463 -0.944 -0.429) 14.500 14.545 ( -14.463 0.944 -0.429) 14.500 17.293 ( 26.366 -0.988 -4.349) 26.740 17.293 ( 26.366 0.988 -4.349) 26.740 18.177 ( -19.774 -0.394 -1.471) 19.833 18.177 ( -19.774 0.394 -1.471) 19.833 19.585 ( 34.456 -3.017 -0.833) 34.597 19.585 ( 34.456 3.017 -0.833) 34.597 20.855 ( -25.765 -1.363 0.089) 25.802 20.855 ( -25.765 1.363 0.089) 25.802 22.646 ( 8.735 -1.217 0.712) 8.848 22.646 ( 8.735 1.217 0.712) 8.848 22.969 ( -4.120 -1.948 2.301) 5.105 22.969 ( -4.120 1.948 2.301) 5.105 27.556 ( 3.122 -0.311 -0.191) 3.144 27.556 ( 3.122 0.311 -0.191) 3.144 27.764 ( -6.891 -0.387 0.185) 6.905 27.764 ( -6.891 0.387 0.185) 6.905 29.680 ( 10.429 -0.306 -2.335) 10.692 29.680 ( 10.429 0.306 -2.335) 10.692 30.031 ( 2.833 -2.597 0.108) 3.845 30.031 ( 2.833 2.597 0.108) 3.845 30.314 ( 17.150 -4.556 -3.210) 18.033 30.314 ( 17.150 4.556 -3.210) 18.033 30.722 ( 7.135 -2.356 -0.749) 7.551 30.722 ( 7.135 2.356 -0.749) 7.551 31.145 ( -2.077 -3.760 4.403) 6.152 31.145 ( -2.077 3.760 4.403) 6.152 31.440 ( -11.768 -0.791 2.208) 12.000 31.440 ( -11.768 0.791 2.208) 12.000 32.161 ( -4.940 -3.523 -1.097) 6.167 32.161 ( -4.940 3.523 -1.097) 6.167 32.319 ( -9.517 -2.339 -1.442) 9.905 32.319 ( -9.517 2.339 -1.442) 9.905 ======================= Grid point 135 (74/108) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -1.162 -3.139 6.299) 7.133 1.920 ( -1.162 3.139 6.299) 7.133 2.369 ( 1.269 -1.568 3.460) 4.004 2.369 ( 1.269 1.568 3.460) 4.004 2.451 ( -3.391 -2.463 -1.019) 4.313 2.451 ( -3.391 2.463 -1.019) 4.313 2.589 ( 1.370 -5.193 -1.301) 5.526 2.589 ( 1.370 5.193 -1.301) 5.526 2.910 ( -3.479 -2.882 -1.197) 4.674 2.910 ( -3.479 2.882 -1.197) 4.674 2.972 ( -0.684 -2.037 -10.424) 10.643 2.972 ( -0.684 2.037 -10.424) 10.643 3.301 ( -0.150 -2.781 -0.552) 2.839 3.301 ( -0.150 2.781 -0.552) 2.839 3.570 ( -3.418 -5.462 -0.303) 6.450 3.570 ( -3.418 5.462 -0.303) 6.450 3.704 ( -5.778 -5.631 3.616) 8.841 3.704 ( -5.778 5.631 3.616) 8.841 3.815 ( 4.864 -5.291 1.485) 7.339 3.815 ( 4.864 5.291 1.485) 7.339 3.957 ( 4.360 -2.016 -2.269) 5.312 3.957 ( 4.360 2.016 -2.269) 5.312 4.240 ( 0.767 -2.122 2.789) 3.587 4.240 ( 0.767 2.122 2.789) 3.587 4.878 ( -2.269 -7.722 -4.035) 9.003 4.878 ( -2.269 7.722 -4.035) 9.003 5.070 ( 9.715 -5.913 5.608) 12.680 5.070 ( 9.715 5.913 5.608) 12.680 5.253 ( 1.778 -6.327 -1.621) 6.769 5.253 ( 1.778 6.327 -1.621) 6.769 5.558 ( -3.739 -4.894 -1.625) 6.370 5.558 ( -3.739 4.894 -1.625) 6.370 5.724 ( 0.529 -1.719 -1.609) 2.413 5.724 ( 0.529 1.719 -1.609) 2.413 5.978 ( 1.844 -5.686 -4.518) 7.493 5.978 ( 1.844 5.686 -4.518) 7.493 6.293 ( -0.942 -7.679 2.271) 8.063 6.293 ( -0.942 7.679 2.271) 8.063 6.558 ( 0.443 -5.743 0.625) 5.793 6.558 ( 0.443 5.743 0.625) 5.793 6.909 ( -0.218 -2.469 7.046) 7.469 6.909 ( -0.218 2.469 7.046) 7.469 7.294 ( -2.948 -2.873 2.978) 5.081 7.294 ( -2.948 2.873 2.978) 5.081 7.669 ( -3.980 -2.983 -3.366) 6.006 7.669 ( -3.980 2.983 -3.366) 6.006 8.089 ( 1.203 -0.516 0.521) 1.409 8.089 ( 1.203 0.516 0.521) 1.409 8.827 ( 4.123 -2.031 -2.424) 5.196 8.827 ( 4.123 2.031 -2.424) 5.196 9.137 ( -3.011 -0.340 -7.681) 8.257 9.137 ( -3.011 0.340 -7.681) 8.257 9.639 ( -0.753 -1.848 2.016) 2.836 9.639 ( -0.753 1.848 2.016) 2.836 9.796 ( -1.973 -1.089 -0.360) 2.282 9.796 ( -1.973 1.089 -0.360) 2.282 10.773 ( -3.097 -1.188 0.679) 3.386 10.773 ( -3.097 1.188 0.679) 3.386 10.872 ( 5.817 -0.533 -0.862) 5.905 10.872 ( 5.817 0.533 -0.862) 5.905 11.146 ( 1.399 -1.436 3.352) 3.906 11.146 ( 1.399 1.436 3.352) 3.906 11.561 ( -0.646 -0.841 10.607) 10.660 11.561 ( -0.646 0.841 10.607) 10.660 12.121 ( 0.613 -1.792 1.790) 2.606 12.121 ( 0.613 1.792 1.790) 2.606 12.325 ( -1.669 -1.037 -3.334) 3.870 12.325 ( -1.669 1.037 -3.334) 3.870 12.439 ( -0.309 -1.580 -1.084) 1.941 12.439 ( -0.309 1.580 -1.084) 1.941 12.740 ( 0.249 -2.421 -3.817) 4.527 12.740 ( 0.249 2.421 -3.817) 4.527 14.193 ( -4.978 -0.271 0.191) 4.990 14.193 ( -4.978 0.271 0.191) 4.990 14.292 ( 4.806 -0.072 -0.912) 4.893 14.292 ( 4.806 0.072 -0.912) 4.893 17.732 ( -8.229 -1.273 -3.168) 8.910 17.732 ( -8.229 1.273 -3.168) 8.910 17.801 ( 8.046 -1.269 -2.574) 8.542 17.801 ( 8.046 1.269 -2.574) 8.542 20.236 ( -7.888 -2.450 -0.237) 8.263 20.236 ( -7.888 2.450 -0.237) 8.263 20.288 ( 7.077 -1.451 0.297) 7.230 20.288 ( 7.077 1.451 0.297) 7.230 22.794 ( -3.256 -1.342 2.065) 4.083 22.794 ( -3.256 1.342 2.065) 4.083 22.871 ( 3.488 -0.523 0.019) 3.527 22.871 ( 3.488 0.523 0.019) 3.527 27.636 ( -0.722 -0.071 -0.172) 0.745 27.636 ( -0.722 0.071 -0.172) 0.745 27.644 ( 0.708 -0.443 0.065) 0.837 27.644 ( 0.708 0.443 0.065) 0.837 29.778 ( -2.117 -0.634 -2.393) 3.258 29.778 ( -2.117 0.634 -2.393) 3.258 30.050 ( 0.847 -0.897 0.284) 1.266 30.050 ( 0.847 0.897 0.284) 1.266 30.595 ( 5.670 -2.415 -0.805) 6.216 30.595 ( 5.670 2.415 -0.805) 6.216 30.723 ( -5.033 -2.720 -2.467) 6.230 30.723 ( -5.033 2.720 -2.467) 6.230 31.171 ( 3.002 -1.862 3.971) 5.315 31.171 ( 3.002 1.862 3.971) 5.315 31.267 ( -2.183 -1.996 2.062) 3.606 31.267 ( -2.183 1.996 2.062) 3.606 32.128 ( -0.145 -0.056 -1.205) 1.215 32.128 ( -0.145 0.056 -1.205) 1.215 32.202 ( 0.545 -0.666 -1.130) 1.421 32.202 ( 0.545 0.666 -1.130) 1.421 ======================= Grid point 137 (75/108) ======================= q-point: (-0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -1.737 -9.236 5.660) 10.970 1.899 ( -1.737 9.236 5.660) 10.971 2.279 ( -10.307 -7.695 -5.488) 13.984 2.279 ( -10.307 7.695 -5.488) 13.984 2.394 ( -2.298 -1.019 4.725) 5.352 2.394 ( -2.298 1.019 4.725) 5.352 2.629 ( 1.933 -4.403 -1.313) 4.985 2.629 ( 1.933 4.403 -1.313) 4.985 2.709 ( -6.028 -2.182 -4.131) 7.627 2.709 ( -6.028 2.182 -4.131) 7.627 3.054 ( 3.317 -3.927 -1.160) 5.270 3.054 ( 3.317 3.927 -1.160) 5.270 3.297 ( -5.128 -4.452 -0.585) 6.816 3.297 ( -5.128 4.452 -0.585) 6.816 3.489 ( -3.874 -8.085 1.127) 9.036 3.489 ( -3.874 8.085 1.127) 9.036 3.585 ( -0.707 -2.807 2.579) 3.877 3.585 ( -0.707 2.807 2.579) 3.877 3.930 ( 5.238 -3.139 0.843) 6.164 3.930 ( 5.238 3.139 0.843) 6.164 4.060 ( 4.405 -3.758 -3.037) 6.538 4.060 ( 4.405 3.758 -3.037) 6.538 4.247 ( -1.613 -3.919 2.308) 4.826 4.247 ( -1.613 3.919 2.308) 4.826 4.829 ( -2.154 -9.121 -5.676) 10.957 4.829 ( -2.154 9.121 -5.676) 10.957 5.217 ( -3.448 -4.552 -4.816) 7.470 5.217 ( -3.448 4.552 -4.816) 7.470 5.288 ( 9.830 -2.199 8.722) 13.325 5.288 ( 9.830 2.199 8.722) 13.325 5.520 ( -0.294 -5.027 -0.573) 5.068 5.520 ( -0.294 5.027 -0.573) 5.068 5.793 ( 5.318 -8.561 -3.213) 10.578 5.793 ( 5.318 8.561 -3.213) 10.578 5.969 ( -2.766 -8.410 -4.443) 9.905 5.969 ( -2.766 8.410 -4.443) 9.905 6.249 ( -4.427 -7.327 4.623) 9.730 6.249 ( -4.427 7.327 4.623) 9.730 6.568 ( 0.285 -4.409 -0.539) 4.451 6.568 ( 0.285 4.409 -0.539) 4.451 6.780 ( -11.128 -3.538 6.033) 13.144 6.780 ( -11.128 3.538 6.033) 13.144 7.262 ( -0.478 -1.435 5.278) 5.490 7.262 ( -0.478 1.435 5.278) 5.490 7.492 ( -11.171 -1.760 -4.625) 12.218 7.492 ( -11.171 1.760 -4.625) 12.218 8.129 ( 1.766 -3.512 1.631) 4.256 8.129 ( 1.766 3.512 1.631) 4.256 8.770 ( -10.211 -3.846 -3.583) 11.484 8.770 ( -10.211 3.846 -3.583) 11.484 9.007 ( -6.844 -1.242 -7.222) 10.027 9.007 ( -6.844 1.242 -7.222) 10.027 9.511 ( -10.036 -1.591 3.651) 10.797 9.511 ( -10.036 1.591 3.651) 10.797 9.823 ( 3.550 -0.528 0.292) 3.601 9.823 ( 3.550 0.528 0.292) 3.601 10.300 ( -22.711 -0.274 0.304) 22.715 10.300 ( -22.711 0.274 0.304) 22.715 10.810 ( -8.655 -0.785 0.901) 8.737 10.810 ( -8.655 0.785 0.901) 8.737 11.593 ( 9.716 -2.261 2.009) 10.176 11.593 ( 9.716 2.261 2.009) 10.176 11.736 ( 17.439 -4.214 7.551) 19.465 11.736 ( 17.439 4.214 7.551) 19.465 12.076 ( 3.530 -2.129 0.395) 4.142 12.076 ( 3.530 2.129 0.395) 4.142 12.248 ( 4.982 -0.439 -2.959) 5.812 12.248 ( 4.982 0.439 -2.959) 5.812 12.702 ( 17.869 -3.982 -1.399) 18.361 12.702 ( 17.869 3.982 -1.399) 18.361 13.008 ( 20.434 -4.046 -2.233) 20.950 13.008 ( 20.434 4.046 -2.233) 20.950 13.909 ( -13.297 -0.129 -0.018) 13.298 13.909 ( -13.297 0.129 -0.018) 13.298 14.569 ( 14.162 -0.308 -0.724) 14.184 14.569 ( 14.162 0.308 -0.724) 14.184 17.268 ( -25.773 -2.834 -4.158) 26.260 17.268 ( -25.773 2.834 -4.158) 26.260 18.191 ( 18.985 -1.052 -1.570) 19.079 18.191 ( 18.985 1.052 -1.570) 19.079 19.554 ( -35.366 -2.368 -0.386) 35.448 19.554 ( -35.366 2.368 -0.386) 35.448 20.855 ( 25.345 -1.527 0.160) 25.392 20.855 ( 25.345 1.527 0.160) 25.392 22.615 ( -9.537 -0.695 1.028) 9.617 22.615 ( -9.537 0.695 1.028) 9.617 23.009 ( 5.082 -1.578 1.786) 5.613 23.009 ( 5.082 1.578 1.786) 5.613 27.554 ( -3.131 -0.067 -0.181) 3.137 27.554 ( -3.131 0.067 -0.181) 3.137 27.766 ( 6.983 -0.557 0.162) 7.007 27.766 ( 6.983 0.557 0.162) 7.007 29.618 ( -11.890 -0.505 -1.488) 11.993 29.618 ( -11.890 0.505 -1.488) 11.993 30.034 ( -4.798 -1.369 0.186) 4.993 30.034 ( -4.798 1.369 0.186) 4.993 30.374 ( -16.354 -5.633 -4.628) 17.905 30.374 ( -16.354 5.633 -4.628) 17.905 30.719 ( -3.731 -1.742 -0.376) 4.135 30.719 ( -3.731 1.742 -0.376) 4.135 31.186 ( 3.169 -6.236 4.471) 8.302 31.186 ( 3.169 6.236 4.471) 8.302 31.407 ( 9.886 -0.623 2.198) 10.146 31.407 ( 9.886 0.623 2.198) 10.146 32.150 ( 4.198 -1.831 -1.102) 4.711 32.150 ( 4.198 1.831 -1.102) 4.711 32.345 ( 11.162 -4.182 -1.605) 12.027 32.345 ( 11.162 4.182 -1.605) 12.027 ======================= Grid point 139 (76/108) ======================= q-point: (-0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -9.300 -9.388 2.410) 13.432 1.793 ( -9.300 9.388 2.410) 13.432 2.102 ( -4.554 -2.103 1.510) 5.239 2.102 ( -4.554 2.103 1.510) 5.239 2.338 ( -2.050 -2.437 0.727) 3.266 2.338 ( -2.050 2.437 0.727) 3.266 2.618 ( -2.265 -3.113 -0.894) 3.952 2.618 ( -2.265 3.113 -0.894) 3.952 2.704 ( 2.420 -3.903 -0.024) 4.592 2.704 ( 2.420 3.903 -0.024) 4.592 3.058 ( -5.484 -9.159 -1.129) 10.735 3.058 ( -5.484 9.159 -1.129) 10.735 3.169 ( -1.841 -4.478 -0.340) 4.854 3.169 ( -1.841 4.478 -0.340) 4.854 3.394 ( -3.451 -6.974 0.431) 7.793 3.394 ( -3.451 6.974 0.431) 7.793 3.678 ( 5.650 -5.209 -2.003) 7.942 3.678 ( 5.650 5.209 -2.003) 7.942 3.981 ( -1.507 -1.253 0.103) 1.962 3.981 ( -1.507 1.253 0.103) 1.962 4.107 ( -0.018 -6.250 -0.288) 6.257 4.107 ( -0.018 6.250 -0.288) 6.257 4.178 ( -4.693 -7.894 -0.100) 9.184 4.178 ( -4.693 7.894 -0.100) 9.184 4.747 ( -6.651 -6.165 -2.904) 9.522 4.747 ( -6.651 6.165 -2.904) 9.522 5.164 ( -0.997 -2.052 -2.661) 3.506 5.164 ( -0.997 2.052 -2.661) 3.506 5.435 ( -2.611 -3.961 1.636) 5.018 5.435 ( -2.611 3.961 1.636) 5.018 5.522 ( 3.765 -3.159 4.320) 6.543 5.522 ( 3.765 3.159 4.320) 6.543 5.778 ( -9.108 -3.302 -0.411) 9.697 5.778 ( -9.108 3.302 -0.411) 9.697 5.918 ( 1.261 -5.480 -3.483) 6.615 5.918 ( 1.261 5.480 -3.483) 6.615 6.127 ( -5.874 -7.198 1.839) 9.471 6.127 ( -5.874 7.198 1.839) 9.471 6.541 ( -3.468 -4.720 -0.016) 5.857 6.541 ( -3.468 4.720 -0.016) 5.857 6.634 ( -1.387 -7.272 4.776) 8.810 6.634 ( -1.387 7.272 4.776) 8.810 7.103 ( -13.391 -3.428 0.195) 13.824 7.103 ( -13.391 3.428 0.195) 13.824 7.409 ( 3.418 -2.923 -0.033) 4.498 7.409 ( 3.418 2.923 -0.033) 4.498 8.120 ( -3.781 -3.412 3.840) 6.378 8.120 ( -3.781 3.412 3.840) 6.378 8.514 ( -10.265 -1.628 -4.202) 11.211 8.514 ( -10.265 1.628 -4.202) 11.211 8.883 ( -5.468 -4.452 -7.169) 10.055 8.883 ( -5.468 4.452 -7.169) 10.055 9.302 ( -9.727 -1.570 5.046) 11.070 9.302 ( -9.727 1.570 5.046) 11.070 9.866 ( -1.538 -0.212 -1.018) 1.857 9.866 ( -1.538 0.212 -1.018) 1.857 9.997 ( -6.018 -0.445 2.225) 6.432 9.997 ( -6.018 0.445 2.225) 6.432 10.634 ( -6.678 -1.172 1.935) 7.050 10.634 ( -6.678 1.172 1.935) 7.050 11.484 ( -10.508 -1.501 0.766) 10.643 11.484 ( -10.508 1.501 0.766) 10.643 12.033 ( 0.204 -2.459 -2.182) 3.294 12.033 ( 0.204 2.459 -2.182) 3.294 12.182 ( 17.774 -5.328 2.520) 18.726 12.182 ( 17.774 5.328 2.520) 18.726 12.756 ( 30.189 -0.286 0.808) 30.201 12.756 ( 30.189 0.286 0.808) 30.201 13.054 ( 15.091 -4.519 -2.298) 15.920 13.054 ( 15.091 4.519 -2.298) 15.920 13.293 ( 1.836 -3.733 -0.931) 4.263 13.293 ( 1.836 3.733 -0.931) 4.263 13.877 ( 16.745 -0.706 -0.331) 16.763 13.877 ( 16.745 0.706 -0.331) 16.763 14.843 ( 12.378 -0.792 -0.864) 12.433 14.843 ( 12.378 0.792 -0.864) 12.433 16.679 ( -31.262 -4.214 -5.202) 31.971 16.679 ( -31.262 4.214 -5.202) 31.971 18.522 ( 3.983 -0.801 0.699) 4.122 18.522 ( 3.983 0.801 0.699) 4.122 18.887 ( -19.049 -2.414 -2.353) 19.345 18.887 ( -19.049 2.414 -2.353) 19.345 21.298 ( 17.590 -1.298 0.050) 17.638 21.298 ( 17.590 1.298 0.050) 17.638 22.445 ( -6.491 -1.637 1.718) 6.911 22.445 ( -6.491 1.637 1.718) 6.911 23.030 ( -3.915 -2.647 2.944) 5.567 23.030 ( -3.915 2.647 2.944) 5.567 27.508 ( -1.466 -0.131 -0.223) 1.488 27.508 ( -1.466 0.131 -0.223) 1.488 27.922 ( 7.983 -0.777 0.370) 8.029 27.922 ( 7.983 0.777 0.370) 8.029 29.329 ( -15.527 -0.336 -1.290) 15.584 29.329 ( -15.527 0.336 -1.290) 15.584 29.740 ( -23.306 -4.926 -1.215) 23.852 29.740 ( -23.306 4.926 -1.215) 23.852 30.117 ( -8.333 -3.121 -4.672) 10.050 30.117 ( -8.333 3.121 -4.672) 10.050 30.567 ( -9.143 -2.769 -2.297) 9.825 30.567 ( -9.143 2.769 -2.297) 9.825 31.292 ( 5.406 -9.435 6.591) 12.716 31.292 ( 5.406 9.435 6.591) 12.716 31.607 ( 9.184 -2.169 1.806) 9.608 31.607 ( 9.184 2.169 1.806) 9.608 32.312 ( 11.067 -1.016 0.364) 11.120 32.312 ( 11.067 1.016 0.364) 11.120 32.619 ( 15.314 -8.773 -3.118) 17.922 32.619 ( 15.314 8.773 -3.118) 17.922 ======================= Grid point 141 (77/108) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -7.278 -14.458 9.084) 18.561 1.613 ( -7.278 14.458 9.084) 18.561 1.980 ( -8.586 -10.709 10.443) 17.247 1.980 ( -8.586 10.709 10.443) 17.247 2.378 ( 5.581 -1.100 -3.874) 6.882 2.378 ( 5.581 1.100 -3.874) 6.882 2.555 ( -3.212 -3.346 -1.282) 4.812 2.555 ( -3.212 3.346 -1.282) 4.812 2.740 ( 0.323 -5.029 -2.935) 5.831 2.740 ( 0.323 5.029 -2.935) 5.831 2.903 ( -7.806 -12.828 0.828) 15.039 2.903 ( -7.806 12.828 0.828) 15.039 3.177 ( 0.169 -2.902 1.151) 3.126 3.177 ( 0.169 2.902 1.151) 3.126 3.352 ( -2.057 -2.490 -2.191) 3.903 3.352 ( -2.057 2.490 -2.191) 3.903 3.710 ( -6.483 -7.606 -2.402) 10.279 3.710 ( -6.483 7.606 -2.402) 10.279 3.876 ( -5.725 -4.120 -1.080) 7.136 3.876 ( -5.725 4.120 -1.080) 7.136 3.992 ( -9.038 -0.941 -2.980) 9.563 3.992 ( -9.038 0.941 -2.980) 9.563 4.130 ( 0.053 -7.537 -1.821) 7.754 4.130 ( 0.053 7.537 -1.821) 7.754 4.544 ( -11.312 -2.400 -0.318) 11.568 4.544 ( -11.312 2.400 -0.318) 11.568 5.089 ( -6.478 -4.821 0.085) 8.075 5.089 ( -6.478 4.821 0.085) 8.075 5.303 ( -2.063 -6.147 0.340) 6.493 5.303 ( -2.063 6.147 0.340) 6.493 5.587 ( -0.081 -4.170 5.421) 6.840 5.587 ( -0.081 4.170 5.421) 6.840 5.725 ( 2.179 -2.259 2.129) 3.792 5.725 ( 2.179 2.259 2.129) 3.792 5.888 ( -5.032 -7.114 -3.863) 9.532 5.888 ( -5.032 7.114 -3.863) 9.532 6.027 ( -2.545 -1.808 -5.056) 5.942 6.027 ( -2.545 1.808 -5.056) 5.942 6.407 ( -7.757 -5.818 1.768) 9.856 6.407 ( -7.757 5.818 1.768) 9.856 6.701 ( 6.152 -4.726 9.576) 12.324 6.701 ( 6.152 4.726 9.576) 12.324 6.949 ( -0.730 -3.447 -2.292) 4.203 6.949 ( -0.730 3.447 -2.292) 4.203 7.501 ( 4.532 -5.260 0.828) 6.992 7.501 ( 4.532 5.260 0.828) 6.992 8.004 ( -5.858 -2.059 1.674) 6.431 8.004 ( -5.858 2.059 1.674) 6.431 8.373 ( -5.432 -0.928 -2.912) 6.233 8.373 ( -5.432 0.928 -2.912) 6.233 8.768 ( -5.097 -4.682 -4.377) 8.189 8.768 ( -5.097 4.682 -4.377) 8.189 9.151 ( -4.339 -3.178 3.671) 6.512 9.151 ( -4.339 3.178 3.671) 6.512 9.805 ( -2.500 -1.054 2.430) 3.643 9.805 ( -2.500 1.054 2.430) 3.643 9.942 ( -2.184 -0.731 2.411) 3.334 9.942 ( -2.184 0.731 2.411) 3.334 10.576 ( 0.668 -1.031 0.389) 1.289 10.576 ( 0.668 1.031 0.389) 1.289 11.303 ( -5.857 -1.259 0.210) 5.995 11.303 ( -5.857 1.259 0.210) 5.995 11.984 ( -3.618 -2.268 -4.812) 6.434 11.984 ( -3.618 2.268 -4.812) 6.434 12.543 ( 14.566 -4.651 2.806) 15.546 12.543 ( 14.566 4.651 2.806) 15.546 12.896 ( -12.968 -1.452 -0.225) 13.051 12.896 ( -12.968 1.452 -0.225) 13.051 13.415 ( 21.480 -4.602 -2.038) 22.062 13.415 ( 21.480 4.602 -2.038) 22.062 13.551 ( 21.838 -3.294 -1.326) 22.124 13.551 ( 21.838 3.294 -1.326) 22.124 14.368 ( 24.854 -1.925 -0.744) 24.939 14.368 ( 24.854 1.925 -0.744) 24.939 15.072 ( 9.711 -1.021 -0.947) 9.810 15.072 ( 9.711 1.021 -0.947) 9.810 16.004 ( -32.783 -3.736 -4.427) 33.291 16.004 ( -32.783 3.736 -4.427) 33.291 18.022 ( -32.082 -1.032 -1.086) 32.117 18.022 ( -32.082 1.032 -1.086) 32.117 19.145 ( 24.337 -2.102 -0.508) 24.433 19.145 ( 24.337 2.102 -0.508) 24.433 21.573 ( 9.190 -1.175 -0.169) 9.266 21.573 ( 9.190 1.175 -0.169) 9.266 22.362 ( -1.638 -3.273 3.001) 4.733 22.362 ( -1.638 3.273 3.001) 4.733 22.837 ( -14.777 -4.459 3.023) 15.728 22.837 ( -14.777 4.459 3.023) 15.728 27.490 ( -0.365 -0.106 -0.209) 0.434 27.490 ( -0.365 0.106 -0.209) 0.434 28.083 ( 7.427 -0.868 0.397) 7.488 28.083 ( 7.427 0.868 0.397) 7.488 28.984 ( -19.286 -1.844 -3.217) 19.639 28.984 ( -19.286 1.844 -3.217) 19.639 29.204 ( -24.866 -4.616 -0.433) 25.294 29.204 ( -24.866 4.616 -0.433) 25.294 29.956 ( -7.637 -4.104 -3.535) 9.363 29.956 ( -7.637 4.104 -3.535) 9.363 30.385 ( -7.837 -4.628 -4.650) 10.220 30.385 ( -7.837 4.628 -4.650) 10.220 31.385 ( 3.095 -11.215 7.561) 13.876 31.385 ( 3.095 11.215 7.561) 13.876 31.782 ( 7.709 -3.958 1.759) 8.843 31.782 ( 7.709 3.958 1.759) 8.843 32.559 ( 11.474 -4.020 2.381) 12.389 32.559 ( 11.474 4.020 2.381) 12.389 32.969 ( 18.798 -10.942 -5.115) 22.344 32.969 ( 18.798 10.942 -5.115) 22.344 ======================= Grid point 143 (78/108) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -10.278 -15.048 14.828) 23.494 1.450 ( -10.278 15.048 14.828) 23.494 1.841 ( -5.176 -17.198 16.953) 24.697 1.841 ( -5.176 17.198 16.953) 24.697 2.452 ( -7.123 -7.551 4.878) 11.470 2.452 ( -7.123 7.551 4.878) 11.470 2.476 ( -0.913 -3.922 -3.897) 5.603 2.476 ( -0.913 3.922 -3.897) 5.603 2.664 ( -3.090 -6.917 -3.674) 8.420 2.664 ( -3.090 6.917 -3.674) 8.420 2.822 ( 0.545 -4.611 2.759) 5.401 2.822 ( 0.545 4.611 2.759) 5.401 3.105 ( -7.408 -7.490 -0.562) 10.549 3.105 ( -7.408 7.490 -0.562) 10.549 3.265 ( -4.072 -2.305 -4.909) 6.781 3.265 ( -4.072 2.305 -4.909) 6.781 3.550 ( -2.393 -3.622 -4.225) 6.058 3.550 ( -2.393 3.622 -4.225) 6.058 3.725 ( -9.341 -2.526 -5.199) 10.985 3.725 ( -9.341 2.526 -5.199) 10.985 3.877 ( -0.822 -5.523 -3.167) 6.420 3.877 ( -0.822 5.523 -3.167) 6.420 4.176 ( 3.943 -3.326 -7.201) 8.858 4.176 ( 3.943 3.326 -7.201) 8.858 4.422 ( -0.378 -2.759 0.354) 2.807 4.422 ( -0.378 2.759 0.354) 2.807 4.976 ( -5.585 -4.468 3.376) 7.909 4.976 ( -5.585 4.468 3.376) 7.909 5.293 ( -0.388 -8.431 0.902) 8.488 5.293 ( -0.388 8.431 0.902) 8.488 5.575 ( -1.188 -3.115 5.135) 6.122 5.575 ( -1.188 3.115 5.135) 6.122 5.712 ( -3.001 -2.557 3.273) 5.124 5.712 ( -3.001 2.557 3.273) 5.124 5.815 ( -0.338 -4.377 -4.485) 6.276 5.815 ( -0.338 4.377 -4.485) 6.276 6.027 ( 2.156 -4.081 -4.779) 6.644 6.027 ( 2.156 4.081 -4.779) 6.644 6.291 ( -3.686 -2.269 0.163) 4.331 6.291 ( -3.686 2.269 0.163) 4.331 6.826 ( 4.139 -5.474 10.256) 12.341 6.826 ( 4.139 5.474 10.256) 12.341 7.013 ( 5.613 -7.126 -0.524) 9.086 7.013 ( 5.613 7.126 -0.524) 9.086 7.577 ( 2.473 -5.675 1.433) 6.355 7.577 ( 2.473 5.675 1.433) 6.355 7.901 ( -4.717 -3.328 1.683) 6.013 7.901 ( -4.717 3.328 1.683) 6.013 8.246 ( -5.737 -3.060 -5.006) 8.206 8.246 ( -5.737 3.060 -5.006) 8.206 8.687 ( -3.111 -2.488 -1.280) 4.184 8.687 ( -3.111 2.488 -1.280) 4.184 9.139 ( 2.968 -5.935 3.193) 7.364 9.139 ( 2.968 5.935 3.193) 7.364 9.745 ( -3.215 -3.064 5.296) 6.912 9.745 ( -3.215 3.064 5.296) 6.912 9.930 ( 0.870 -3.817 2.131) 4.458 9.930 ( 0.870 3.817 2.131) 4.458 10.606 ( 0.928 -1.048 -1.556) 2.093 10.606 ( 0.928 1.048 -1.556) 2.093 11.266 ( 1.846 -0.727 -0.072) 1.985 11.266 ( 1.846 0.727 -0.072) 1.985 11.896 ( -4.088 -2.360 -4.401) 6.454 11.896 ( -4.088 2.360 -4.401) 6.454 12.586 ( -10.658 -0.354 1.290) 10.742 12.586 ( -10.658 0.354 1.290) 10.742 12.798 ( 6.318 -5.080 0.108) 8.108 12.798 ( 6.318 5.080 0.108) 8.108 13.749 ( 9.973 -8.195 -3.786) 13.452 13.749 ( 9.973 8.195 -3.786) 13.452 13.955 ( 14.491 -1.631 -1.153) 14.628 13.955 ( 14.491 1.631 -1.153) 14.628 14.773 ( 12.375 -1.677 -0.993) 12.528 14.773 ( 12.375 1.677 -0.993) 12.528 15.197 ( -0.488 -0.777 -0.775) 1.200 15.197 ( -0.488 0.777 -0.775) 1.200 15.480 ( -11.020 -1.137 -0.871) 11.113 15.480 ( -11.020 1.137 -0.871) 11.113 17.433 ( -23.126 -0.961 -1.579) 23.200 17.433 ( -23.126 0.961 -1.579) 23.200 19.670 ( 24.445 -3.138 0.636) 24.654 19.670 ( 24.445 3.138 0.636) 24.654 21.679 ( 1.192 -0.906 -0.473) 1.570 21.679 ( 1.192 0.906 -0.473) 1.570 22.368 ( 0.365 -5.638 3.176) 6.482 22.368 ( 0.365 5.638 3.176) 6.482 22.479 ( -16.362 -8.231 2.255) 18.454 22.479 ( -16.362 8.231 2.255) 18.454 27.488 ( 0.144 -0.075 -0.120) 0.201 27.488 ( 0.144 0.075 -0.120) 0.201 28.211 ( 4.566 -0.568 0.157) 4.604 28.211 ( 4.566 0.568 0.157) 4.604 28.490 ( -23.570 -2.518 -2.843) 23.874 28.490 ( -23.570 2.518 -2.843) 23.874 28.874 ( -8.798 -0.502 1.537) 8.945 28.874 ( -8.798 0.502 1.537) 8.945 29.811 ( -5.692 -6.552 -2.330) 8.986 29.811 ( -5.692 6.552 -2.330) 8.986 30.255 ( -4.343 -5.880 -6.571) 9.829 30.255 ( -4.343 5.880 -6.571) 9.829 31.423 ( 0.242 -11.729 8.237) 14.334 31.423 ( 0.242 11.729 8.237) 14.334 31.919 ( 5.350 -5.090 1.585) 7.553 31.919 ( 5.350 5.090 1.585) 7.553 32.746 ( 6.158 -4.669 2.816) 8.225 32.746 ( 6.158 4.669 2.816) 8.225 33.345 ( 15.920 -6.845 -7.448) 18.862 33.345 ( 15.920 6.845 -7.448) 18.862 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 1.676 0.000 20.272) 20.341 1.713 ( -10.647 0.000 -0.094) 10.647 1.866 ( 11.677 0.000 18.182) 21.609 2.126 ( 1.418 0.000 6.673) 6.822 2.180 ( -10.085 0.000 -5.599) 11.535 2.262 ( 2.028 0.000 -1.579) 2.570 2.426 ( -1.233 0.000 9.439) 9.519 2.663 ( 0.659 0.000 -12.074) 12.092 2.670 ( -4.964 0.000 8.901) 10.192 2.761 ( 8.571 0.000 -0.045) 8.571 2.853 ( 10.410 0.000 3.890) 11.113 2.871 ( -10.108 0.000 9.094) 13.596 2.990 ( 4.162 0.000 -0.839) 4.246 3.027 ( -3.292 0.000 -9.020) 9.602 3.083 ( -2.912 0.000 -1.786) 3.416 3.163 ( 1.063 0.000 -10.859) 10.911 3.254 ( -5.154 0.000 -2.422) 5.694 3.372 ( 3.028 0.000 -13.048) 13.395 3.535 ( 4.553 0.000 -1.253) 4.722 3.558 ( -0.899 0.000 -4.109) 4.206 3.973 ( -1.981 0.000 2.200) 2.961 4.018 ( 6.350 0.000 -2.865) 6.966 4.184 ( 2.633 0.000 1.441) 3.002 4.204 ( -0.812 0.000 -0.347) 0.883 4.414 ( 1.865 0.000 0.830) 2.041 4.469 ( -3.035 0.000 -3.972) 4.999 4.847 ( -0.259 0.000 3.286) 3.296 4.936 ( -1.576 0.000 -5.408) 5.633 5.206 ( -4.195 0.000 5.685) 7.065 5.251 ( 1.704 0.000 1.310) 2.149 5.546 ( -4.470 0.000 2.981) 5.373 5.629 ( 3.925 0.000 -4.349) 5.858 5.687 ( -0.376 0.000 1.470) 1.517 5.714 ( 0.490 0.000 1.717) 1.786 5.732 ( 0.326 0.000 3.436) 3.451 5.818 ( 0.345 0.000 -3.877) 3.892 6.035 ( 1.983 0.000 1.563) 2.526 6.105 ( -1.630 0.000 -4.281) 4.581 6.313 ( -1.523 0.000 -0.248) 1.543 6.319 ( 1.265 0.000 -1.225) 1.761 6.626 ( -1.304 0.000 2.607) 2.915 6.675 ( 0.749 0.000 -2.641) 2.745 7.282 ( 4.104 0.000 5.468) 6.837 7.341 ( -3.645 0.000 -0.856) 3.744 7.754 ( 3.789 0.000 5.812) 6.938 7.773 ( 0.478 0.000 5.627) 5.647 7.854 ( -0.994 0.000 -1.083) 1.470 7.890 ( -2.805 0.000 -4.374) 5.196 8.023 ( -4.284 0.000 5.011) 6.593 8.165 ( 3.749 0.000 -7.803) 8.657 8.658 ( 0.415 0.000 0.483) 0.637 8.678 ( -2.739 0.000 -1.276) 3.022 9.073 ( 3.083 0.000 3.954) 5.013 9.156 ( 0.466 0.000 -4.817) 4.840 9.757 ( 0.729 0.000 3.826) 3.895 9.798 ( -0.312 0.000 -0.328) 0.452 9.981 ( 2.640 0.000 4.777) 5.458 10.038 ( -3.126 0.000 -0.742) 3.213 10.557 ( 0.409 0.000 -0.825) 0.921 10.560 ( -1.560 0.000 -1.405) 2.099 11.317 ( 0.148 0.000 0.047) 0.155 11.321 ( 0.936 0.000 -0.417) 1.025 11.748 ( -1.828 0.000 -0.095) 1.831 11.775 ( 0.478 0.000 -2.983) 3.021 12.489 ( 1.711 0.000 0.437) 1.766 12.495 ( -0.541 0.000 -0.177) 0.569 12.867 ( -0.625 0.000 4.781) 4.822 12.946 ( 3.185 0.000 -3.155) 4.483 13.804 ( 8.177 0.000 1.537) 8.320 13.848 ( -10.943 0.000 -3.298) 11.429 14.079 ( -0.520 0.000 0.526) 0.740 14.086 ( 0.318 0.000 -0.410) 0.519 14.855 ( -1.340 0.000 0.185) 1.353 14.860 ( 1.434 0.000 -0.431) 1.498 15.145 ( -0.089 0.000 0.486) 0.494 15.157 ( -0.252 0.000 -0.789) 0.829 15.440 ( 1.026 0.000 0.452) 1.121 15.453 ( -0.523 0.000 -0.893) 1.035 17.154 ( -2.109 0.000 1.808) 2.778 17.197 ( 3.945 0.000 -2.748) 4.808 19.966 ( 1.855 0.000 3.055) 3.574 20.023 ( -1.546 0.000 -2.980) 3.358 21.659 ( 0.219 0.000 0.213) 0.306 21.668 ( -0.263 0.000 -0.631) 0.683 22.117 ( -2.505 0.000 3.451) 4.264 22.177 ( 1.894 0.000 -2.724) 3.318 22.506 ( -0.528 0.000 3.108) 3.153 22.557 ( 0.749 0.000 -1.975) 2.112 27.487 ( -0.131 0.000 0.174) 0.218 27.491 ( 0.171 0.000 -0.233) 0.289 28.219 ( -1.224 0.000 0.340) 1.271 28.224 ( 2.450 0.000 -0.272) 2.465 28.260 ( -0.382 0.000 0.007) 0.382 28.260 ( 0.163 0.000 0.001) 0.163 28.804 ( -0.309 0.000 0.787) 0.846 28.809 ( 0.809 0.000 0.256) 0.849 29.635 ( -0.309 0.000 9.657) 9.662 29.767 ( -0.112 0.000 -4.360) 4.361 30.061 ( 0.302 0.000 0.543) 0.621 30.165 ( -0.571 0.000 -9.927) 9.943 31.370 ( -1.181 0.000 7.597) 7.688 31.509 ( 0.972 0.000 -7.372) 7.435 32.309 ( 2.704 0.000 6.804) 7.321 32.443 ( -3.493 0.000 -6.965) 7.792 32.566 ( -1.445 0.000 8.328) 8.453 32.682 ( 1.055 0.000 -3.248) 3.415 33.311 ( 1.673 0.000 1.828) 2.478 33.387 ( -1.298 0.000 -5.730) 5.875 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -1.583 0.000 13.400) 13.494 1.602 ( 10.672 0.000 16.193) 19.393 2.124 ( 5.235 0.000 -2.332) 5.731 2.174 ( 2.063 0.000 1.696) 2.670 2.223 ( 10.960 0.000 -3.306) 11.448 2.310 ( 2.039 0.000 -3.584) 4.123 2.511 ( -8.200 0.000 -3.170) 8.791 2.559 ( 16.479 0.000 10.900) 19.758 2.620 ( 2.921 0.000 3.891) 4.866 2.731 ( -6.061 0.000 3.354) 6.927 2.877 ( 0.237 0.000 -3.697) 3.705 2.985 ( -2.303 0.000 3.847) 4.483 3.098 ( 1.321 0.000 -16.521) 16.574 3.128 ( 12.070 0.000 8.698) 14.877 3.178 ( 8.517 0.000 -5.571) 10.177 3.217 ( 7.535 0.000 1.151) 7.623 3.281 ( 12.837 0.000 4.265) 13.527 3.462 ( 6.820 0.000 -5.315) 8.647 3.620 ( 8.619 0.000 -9.181) 12.593 3.700 ( 9.665 0.000 -4.344) 10.597 3.870 ( -6.660 0.000 -1.579) 6.845 4.087 ( -0.378 0.000 -5.467) 5.480 4.133 ( -4.524 0.000 -2.232) 5.044 4.186 ( -2.393 0.000 -0.500) 2.445 4.455 ( 3.290 0.000 -3.372) 4.712 4.495 ( 3.853 0.000 -0.702) 3.916 4.868 ( 4.346 0.000 4.249) 6.078 4.874 ( -1.595 0.000 -1.204) 1.998 5.238 ( 4.339 0.000 3.378) 5.499 5.281 ( -1.663 0.000 7.003) 7.198 5.575 ( 9.597 0.000 0.093) 9.597 5.618 ( -2.001 0.000 2.455) 3.167 5.726 ( -0.462 0.000 4.519) 4.542 5.740 ( 0.944 0.000 1.829) 2.058 5.745 ( 2.892 0.000 -1.941) 3.483 5.839 ( 2.251 0.000 -4.625) 5.143 6.015 ( -4.419 0.000 0.557) 4.454 6.079 ( -0.173 0.000 -5.279) 5.282 6.303 ( 1.046 0.000 0.673) 1.244 6.354 ( 2.695 0.000 -1.208) 2.954 6.622 ( -0.111 0.000 1.659) 1.663 6.716 ( 3.469 0.000 -0.729) 3.545 7.168 ( -10.492 0.000 1.010) 10.540 7.269 ( -5.295 0.000 2.391) 5.810 7.672 ( -8.268 0.000 4.023) 9.195 7.758 ( -4.326 0.000 -0.393) 4.344 7.904 ( 1.370 0.000 -0.436) 1.438 7.916 ( 4.944 0.000 -0.534) 4.972 7.992 ( 4.198 0.000 7.533) 8.623 8.256 ( 6.798 0.000 -7.984) 10.486 8.632 ( -2.753 0.000 3.903) 4.777 8.644 ( 0.014 0.000 -1.607) 1.607 9.178 ( 6.391 0.000 1.433) 6.550 9.205 ( 4.494 0.000 -7.328) 8.596 9.831 ( 5.175 0.000 2.762) 5.866 9.865 ( 5.819 0.000 -0.516) 5.842 9.939 ( -5.202 0.000 -0.486) 5.224 9.991 ( -1.764 0.000 3.909) 4.288 10.512 ( -2.900 0.000 0.748) 2.995 10.550 ( -1.214 0.000 0.797) 1.452 11.303 ( -0.145 0.000 -1.149) 1.158 11.323 ( 0.496 0.000 -1.501) 1.581 11.725 ( 0.428 0.000 2.271) 2.311 11.790 ( 0.513 0.000 -1.432) 1.521 12.615 ( 11.489 0.000 -1.039) 11.535 12.654 ( 12.542 0.000 -0.889) 12.574 12.824 ( -3.544 0.000 4.006) 5.349 12.967 ( -3.358 0.000 -8.343) 8.993 13.574 ( -14.544 0.000 -1.631) 14.635 13.808 ( -9.282 0.000 2.645) 9.652 13.912 ( -15.059 0.000 0.821) 15.081 13.927 ( -15.537 0.000 -0.112) 15.537 14.756 ( -12.325 0.000 -1.036) 12.368 14.787 ( -12.386 0.000 0.730) 12.408 15.186 ( 1.781 0.000 -0.466) 1.841 15.193 ( -0.233 0.000 -0.022) 0.234 15.454 ( 7.472 0.000 0.604) 7.496 15.461 ( 11.464 0.000 -1.146) 11.521 17.383 ( 22.683 0.000 0.836) 22.698 17.523 ( 24.966 0.000 -5.721) 25.613 19.678 ( -26.252 0.000 -1.884) 26.319 19.695 ( -23.953 0.000 1.731) 24.016 21.677 ( -1.167 0.000 0.600) 1.312 21.681 ( -1.042 0.000 -0.856) 1.349 22.212 ( 8.083 0.000 1.773) 8.275 22.300 ( 6.779 0.000 -0.143) 6.780 22.575 ( 8.711 0.000 5.127) 10.108 22.681 ( 11.775 0.000 -3.414) 12.260 27.482 ( -0.253 0.000 0.042) 0.257 27.491 ( -0.065 0.000 -0.199) 0.209 28.205 ( -4.576 0.000 0.729) 4.633 28.208 ( -4.498 0.000 0.019) 4.498 28.433 ( 19.987 0.000 0.185) 19.987 28.539 ( 24.997 0.000 -5.899) 25.684 28.892 ( 9.164 0.000 0.028) 9.164 28.912 ( 9.054 0.000 -0.084) 9.054 29.701 ( 5.888 0.000 8.155) 10.059 29.809 ( 4.077 0.000 -3.155) 5.155 30.119 ( 5.254 0.000 2.084) 5.652 30.198 ( 4.175 0.000 -9.218) 10.120 31.335 ( -2.309 0.000 7.637) 7.979 31.507 ( -1.012 0.000 -6.788) 6.863 32.292 ( -10.491 0.000 -4.155) 11.284 32.309 ( -2.784 0.000 6.582) 7.146 32.473 ( -8.170 0.000 8.408) 11.724 32.653 ( -3.753 0.000 -4.189) 5.625 33.172 ( -13.700 0.000 4.353) 14.375 33.227 ( -13.065 0.000 -7.051) 14.846 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.500 0.000 10.248) 10.548 1.837 ( 10.680 0.000 -2.842) 11.051 2.213 ( 5.953 0.000 -8.242) 10.167 2.231 ( 5.345 0.000 3.142) 6.200 2.341 ( 0.785 0.000 -6.159) 6.209 2.383 ( -4.945 0.000 -1.839) 5.276 2.447 ( 7.229 0.000 -0.821) 7.275 2.611 ( -0.266 0.000 6.166) 6.172 2.688 ( 2.759 0.000 3.444) 4.413 2.783 ( -5.590 0.000 -7.181) 9.100 2.893 ( 5.037 0.000 6.567) 8.276 2.978 ( 3.774 0.000 0.623) 3.825 3.092 ( 1.271 0.000 -4.236) 4.422 3.227 ( 3.141 0.000 -2.346) 3.921 3.337 ( 2.910 0.000 -3.317) 4.413 3.362 ( -0.561 0.000 -1.860) 1.943 3.620 ( 11.793 0.000 2.938) 12.153 3.644 ( 8.492 0.000 -2.457) 8.840 3.860 ( 8.347 0.000 -1.683) 8.515 3.894 ( 10.071 0.000 10.114) 14.273 3.931 ( 15.370 0.000 -2.042) 15.505 4.013 ( -4.095 0.000 0.507) 4.126 4.126 ( -2.416 0.000 0.450) 2.458 4.130 ( 7.756 0.000 -3.899) 8.681 4.524 ( 4.407 0.000 0.103) 4.408 4.529 ( 2.322 0.000 -4.273) 4.863 4.889 ( 0.943 0.000 0.632) 1.135 5.068 ( 7.383 0.000 -0.481) 7.398 5.240 ( -6.418 0.000 -0.255) 6.423 5.240 ( 2.205 0.000 3.116) 3.817 5.623 ( 3.569 0.000 0.987) 3.703 5.706 ( -0.494 0.000 -1.488) 1.568 5.732 ( -0.287 0.000 9.036) 9.041 5.827 ( 4.204 0.000 3.473) 5.454 5.889 ( 3.179 0.000 -1.653) 3.583 5.890 ( -5.429 0.000 -3.066) 6.234 5.952 ( 23.153 0.000 8.342) 24.610 6.090 ( 1.314 0.000 -9.906) 9.993 6.351 ( 3.517 0.000 0.756) 3.598 6.465 ( 8.721 0.000 -0.226) 8.724 6.597 ( -2.149 0.000 0.125) 2.153 6.807 ( 4.879 0.000 0.624) 4.919 6.985 ( -6.259 0.000 -0.196) 6.262 7.130 ( -5.966 0.000 -2.165) 6.347 7.478 ( -9.652 0.000 3.171) 10.159 7.643 ( -6.569 0.000 -2.810) 7.145 7.968 ( 7.286 0.000 0.845) 7.335 8.029 ( 7.317 0.000 -0.777) 7.358 8.159 ( 9.442 0.000 6.997) 11.752 8.411 ( 3.338 0.000 -2.870) 4.402 8.610 ( 4.637 0.000 1.655) 4.924 8.665 ( 1.591 0.000 -4.751) 5.010 9.334 ( 8.734 0.000 -0.077) 8.734 9.334 ( 8.281 0.000 -6.781) 10.703 9.842 ( -1.955 0.000 -1.333) 2.366 9.887 ( -3.554 0.000 0.973) 3.685 9.945 ( 3.450 0.000 2.228) 4.107 10.018 ( 3.698 0.000 -0.906) 3.807 10.470 ( -0.265 0.000 3.829) 3.838 10.538 ( 1.576 0.000 3.877) 4.185 11.362 ( 6.380 0.000 -1.645) 6.588 11.384 ( 5.818 0.000 -2.241) 6.235 11.773 ( 3.516 0.000 4.983) 6.099 11.791 ( -0.192 0.000 0.011) 0.193 12.659 ( -10.535 0.000 2.931) 10.935 12.761 ( -13.960 0.000 -9.362) 16.808 12.909 ( 13.160 0.000 -1.788) 13.281 12.978 ( 13.819 0.000 -0.736) 13.838 13.250 ( -16.917 0.000 -1.342) 16.970 13.437 ( -24.436 0.000 1.153) 24.463 13.487 ( -25.087 0.000 0.067) 25.087 13.537 ( -19.503 0.000 1.304) 19.547 14.354 ( -24.515 0.000 -1.414) 24.556 14.382 ( -24.974 0.000 1.051) 24.997 15.037 ( -10.689 0.000 0.321) 10.694 15.076 ( -9.760 0.000 -1.134) 9.826 15.914 ( 31.614 0.000 -1.808) 31.666 15.984 ( 32.258 0.000 -0.356) 32.260 17.989 ( 34.128 0.000 0.619) 34.133 18.118 ( 31.610 0.000 -6.214) 32.215 19.123 ( -25.388 0.000 -1.165) 25.415 19.155 ( -26.206 0.000 0.635) 26.213 21.571 ( -9.189 0.000 0.804) 9.224 21.579 ( -9.003 0.000 -1.026) 9.061 22.329 ( 4.248 0.000 -0.382) 4.266 22.399 ( 3.866 0.000 0.587) 3.910 22.842 ( 13.319 0.000 6.827) 14.967 22.955 ( 11.925 0.000 -2.209) 12.128 27.481 ( 0.294 0.000 -0.067) 0.302 27.493 ( 0.423 0.000 -0.177) 0.458 28.078 ( -7.341 0.000 1.052) 7.416 28.085 ( -7.141 0.000 -0.137) 7.142 28.943 ( 25.866 0.000 -0.283) 25.867 29.021 ( 17.784 0.000 -4.597) 18.368 29.180 ( 17.674 0.000 1.261) 17.719 29.253 ( 27.075 0.000 -7.035) 27.974 29.856 ( 8.207 0.000 5.310) 9.775 29.918 ( 6.207 0.000 -2.015) 6.526 30.275 ( 9.480 0.000 3.530) 10.116 30.323 ( 8.140 0.000 -6.352) 10.325 31.289 ( -2.367 0.000 7.715) 8.070 31.457 ( -3.594 0.000 -5.806) 6.828 32.037 ( -13.427 0.000 -1.129) 13.475 32.199 ( -10.582 0.000 6.355) 12.343 32.250 ( -10.816 0.000 5.880) 12.311 32.516 ( -9.384 0.000 -6.236) 11.267 32.845 ( -16.256 0.000 8.020) 18.126 32.905 ( -16.433 0.000 -7.921) 18.242 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.864 0.000 -1.566) 9.002 2.017 ( 6.763 0.000 -14.285) 15.805 2.296 ( 1.005 0.000 -4.009) 4.133 2.300 ( -0.903 0.000 -2.454) 2.614 2.367 ( 2.420 0.000 0.017) 2.420 2.395 ( 7.120 0.000 2.433) 7.524 2.534 ( 2.677 0.000 1.926) 3.298 2.632 ( 2.574 0.000 7.955) 8.361 2.669 ( 0.275 0.000 0.164) 0.320 2.829 ( 4.981 0.000 -5.839) 7.675 2.898 ( -1.862 0.000 3.566) 4.023 3.034 ( -0.081 0.000 -11.846) 11.846 3.176 ( 5.322 0.000 5.529) 7.674 3.217 ( -3.016 0.000 3.756) 4.817 3.397 ( 5.505 0.000 -5.926) 8.088 3.419 ( 9.389 0.000 0.715) 9.416 3.701 ( -1.604 0.000 -1.370) 2.109 3.756 ( 1.605 0.000 -1.160) 1.980 3.916 ( -0.975 0.000 -0.070) 0.978 3.937 ( -3.511 0.000 3.383) 4.876 4.009 ( -2.117 0.000 -6.032) 6.393 4.050 ( -7.169 0.000 0.948) 7.232 4.072 ( 5.814 0.000 2.287) 6.248 4.359 ( 5.376 0.000 0.274) 5.383 4.731 ( 14.419 0.000 5.807) 15.544 4.761 ( 13.378 0.000 4.339) 14.064 4.860 ( -4.161 0.000 0.589) 4.203 5.034 ( -4.429 0.000 2.125) 4.912 5.062 ( -6.375 0.000 2.093) 6.710 5.321 ( 1.571 0.000 2.060) 2.590 5.661 ( -2.790 0.000 5.762) 6.402 5.698 ( 2.304 0.000 -1.208) 2.601 5.728 ( -1.905 0.000 -2.688) 3.294 5.871 ( 0.421 0.000 3.973) 3.995 5.934 ( 8.998 0.000 0.414) 9.007 5.972 ( 3.529 0.000 -1.104) 3.698 6.119 ( 2.000 0.000 -9.580) 9.786 6.250 ( -1.272 0.000 8.769) 8.861 6.566 ( 7.820 0.000 3.929) 8.752 6.663 ( 7.603 0.000 -1.170) 7.693 6.667 ( 20.383 0.000 -3.847) 20.742 6.905 ( 4.565 0.000 0.173) 4.568 6.946 ( 5.237 0.000 -2.603) 5.848 7.099 ( 3.342 0.000 -1.719) 3.758 7.337 ( -2.102 0.000 -1.135) 2.388 7.490 ( -7.975 0.000 -2.999) 8.521 8.212 ( 12.980 0.000 6.623) 14.572 8.241 ( 10.375 0.000 -5.126) 11.572 8.340 ( 8.613 0.000 -0.278) 8.617 8.350 ( -3.086 0.000 7.234) 7.865 8.711 ( 4.376 0.000 -6.799) 8.085 8.817 ( 11.082 0.000 -5.119) 12.207 9.517 ( 8.004 0.000 -0.475) 8.018 9.521 ( 9.426 0.000 -5.053) 10.695 9.843 ( -0.204 0.000 0.537) 0.575 9.850 ( 1.285 0.000 0.270) 1.313 10.007 ( 5.638 0.000 -0.597) 5.669 10.064 ( 3.488 0.000 -0.847) 3.590 10.534 ( 6.149 0.000 6.048) 8.625 10.653 ( 8.776 0.000 4.534) 9.878 11.543 ( 10.014 0.000 -0.439) 10.023 11.546 ( 9.043 0.000 -1.713) 9.204 11.800 ( 1.636 0.000 1.123) 1.984 11.852 ( 3.339 0.000 6.613) 7.408 12.365 ( -18.285 0.000 2.654) 18.476 12.402 ( -18.520 0.000 -9.416) 20.776 12.752 ( -30.550 0.000 0.874) 30.562 12.760 ( -29.904 0.000 0.645) 29.911 12.926 ( -14.763 0.000 -1.623) 14.852 13.097 ( -18.812 0.000 0.483) 18.818 13.247 ( -0.095 0.000 -2.729) 2.731 13.335 ( 2.015 0.000 -0.045) 2.015 13.874 ( -15.701 0.000 -0.711) 15.717 13.882 ( -17.111 0.000 0.418) 17.116 14.799 ( -12.428 0.000 0.659) 12.446 14.841 ( -12.763 0.000 -0.767) 12.786 16.595 ( 32.837 0.000 -3.794) 33.055 16.650 ( 31.192 0.000 -0.433) 31.195 18.534 ( -12.165 0.000 -0.940) 12.201 18.565 ( -8.113 0.000 0.097) 8.114 18.820 ( 22.704 0.000 1.171) 22.734 18.912 ( 25.517 0.000 -5.092) 26.020 21.296 ( -17.710 0.000 0.907) 17.733 21.307 ( -17.433 0.000 -1.110) 17.469 22.436 ( 6.699 0.000 -0.082) 6.699 22.498 ( 6.218 0.000 0.114) 6.219 23.029 ( 3.861 0.000 5.227) 6.498 23.100 ( 1.812 0.000 -0.699) 1.942 27.498 ( 1.489 0.000 -0.100) 1.492 27.512 ( 1.510 0.000 -0.173) 1.520 27.919 ( -7.899 0.000 0.884) 7.948 27.927 ( -7.972 0.000 -0.259) 7.976 29.348 ( 15.086 0.000 -2.404) 15.276 29.366 ( 16.183 0.000 -2.572) 16.386 29.651 ( 24.494 0.000 3.621) 24.761 29.817 ( 25.561 0.000 -9.252) 27.184 30.023 ( 7.871 0.000 3.459) 8.598 30.038 ( 5.124 0.000 -1.240) 5.272 30.494 ( 11.076 0.000 3.575) 11.639 30.520 ( 11.033 0.000 -2.699) 11.358 31.247 ( -2.226 0.000 7.384) 7.713 31.351 ( -6.459 0.000 -4.436) 7.836 31.762 ( -12.973 0.000 -0.185) 12.974 31.862 ( -18.517 0.000 3.382) 18.823 32.106 ( -5.571 0.000 3.993) 6.854 32.292 ( -10.591 0.000 -5.057) 11.736 32.555 ( -12.480 0.000 6.093) 13.887 32.582 ( -14.390 0.000 -5.658) 15.463 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 9.717 0.000 -6.287) 11.574 2.092 ( 1.518 0.000 -8.692) 8.823 2.317 ( 0.905 0.000 2.020) 2.213 2.331 ( 2.968 0.000 0.415) 2.997 2.394 ( 1.519 0.000 5.571) 5.775 2.453 ( -0.445 0.000 -2.917) 2.951 2.592 ( 4.105 0.000 -0.039) 4.105 2.651 ( -3.509 0.000 5.438) 6.472 2.797 ( 4.639 0.000 -2.272) 5.166 2.865 ( -1.888 0.000 3.240) 3.750 2.915 ( 7.732 0.000 -7.543) 10.801 2.982 ( -0.110 0.000 -10.558) 10.559 3.240 ( 1.402 0.000 3.227) 3.518 3.304 ( 9.065 0.000 2.068) 9.298 3.547 ( 5.164 0.000 0.457) 5.185 3.550 ( -0.001 0.000 -2.724) 2.724 3.624 ( -4.379 0.000 -1.723) 4.706 3.694 ( -5.915 0.000 1.329) 6.062 3.827 ( -8.640 0.000 4.925) 9.945 3.889 ( -1.510 0.000 2.163) 2.638 3.910 ( -1.231 0.000 1.546) 1.976 3.962 ( -0.016 0.000 -6.096) 6.096 4.227 ( 7.206 0.000 -0.872) 7.259 4.333 ( -6.082 0.000 1.844) 6.355 4.731 ( -4.515 0.000 5.514) 7.127 4.886 ( 2.586 0.000 -6.370) 6.875 4.911 ( 2.477 0.000 1.455) 2.872 4.938 ( -5.119 0.000 0.251) 5.125 5.127 ( 9.469 0.000 8.265) 12.569 5.446 ( 9.095 0.000 8.231) 12.267 5.590 ( -5.300 0.000 -0.659) 5.341 5.698 ( -2.339 0.000 -0.680) 2.436 5.707 ( 1.398 0.000 -0.852) 1.637 5.868 ( -0.649 0.000 1.810) 1.923 6.011 ( -3.080 0.000 0.706) 3.160 6.028 ( 3.248 0.000 -3.292) 4.625 6.136 ( -0.984 0.000 -8.455) 8.512 6.187 ( -2.774 0.000 5.957) 6.572 6.711 ( 6.656 0.000 5.560) 8.672 6.740 ( 1.567 0.000 2.327) 2.805 6.901 ( 6.637 0.000 -2.505) 7.094 7.001 ( 5.326 0.000 -2.193) 5.760 7.142 ( -1.025 0.000 -1.004) 1.435 7.250 ( -0.059 0.000 -0.601) 0.604 7.411 ( 14.374 0.000 -3.089) 14.702 7.461 ( 11.704 0.000 -1.817) 11.844 8.141 ( -9.204 0.000 -0.304) 9.209 8.240 ( -7.236 0.000 2.213) 7.567 8.597 ( 14.329 0.000 2.574) 14.558 8.624 ( 13.348 0.000 -1.023) 13.387 8.877 ( 10.699 0.000 -5.902) 12.219 8.986 ( 5.002 0.000 -5.891) 7.728 9.630 ( 3.457 0.000 1.598) 3.809 9.679 ( 5.198 0.000 -2.609) 5.816 9.834 ( -1.638 0.000 0.233) 1.655 9.836 ( -1.035 0.000 0.092) 1.039 10.311 ( 23.744 0.000 -1.328) 23.782 10.318 ( 22.055 0.000 -0.230) 22.056 10.704 ( 9.393 0.000 6.319) 11.320 10.852 ( 8.738 0.000 2.276) 9.030 11.633 ( -11.012 0.000 -1.222) 11.080 11.656 ( -8.916 0.000 1.897) 9.116 11.774 ( -14.344 0.000 5.746) 15.452 11.878 ( -0.647 0.000 -0.360) 0.741 11.904 ( -11.709 0.000 7.259) 13.777 12.125 ( 0.160 0.000 -3.105) 3.109 12.271 ( -8.345 0.000 -4.030) 9.267 12.303 ( -8.973 0.000 -2.508) 9.317 12.606 ( -15.205 0.000 -0.941) 15.234 12.701 ( -18.886 0.000 1.724) 18.964 12.950 ( -21.711 0.000 -3.814) 22.043 13.030 ( -23.500 0.000 0.417) 23.503 13.918 ( 13.358 0.000 -0.510) 13.368 13.933 ( 13.901 0.000 -0.861) 13.927 14.527 ( -14.039 0.000 0.601) 14.051 14.558 ( -14.623 0.000 -0.155) 14.624 17.219 ( 27.756 0.000 -3.785) 28.013 17.239 ( 25.964 0.000 -0.771) 25.976 18.154 ( -19.625 0.000 -1.045) 19.653 18.162 ( -21.279 0.000 0.300) 21.281 19.538 ( 36.163 0.000 1.374) 36.189 19.592 ( 34.705 0.000 -3.560) 34.887 20.846 ( -26.003 0.000 1.313) 26.036 20.865 ( -25.363 0.000 -1.193) 25.391 22.610 ( 9.962 0.000 0.592) 9.980 22.660 ( 9.453 0.000 -0.267) 9.457 23.011 ( -5.166 0.000 3.122) 6.036 23.041 ( -6.864 0.000 -0.373) 6.874 27.546 ( 3.207 0.000 -0.051) 3.207 27.559 ( 3.155 0.000 -0.186) 3.160 27.765 ( -6.938 0.000 0.535) 6.958 27.768 ( -7.228 0.000 -0.285) 7.234 29.623 ( 11.018 0.000 -2.287) 11.252 29.640 ( 10.127 0.000 -1.982) 10.319 29.993 ( 6.235 0.000 1.991) 6.545 30.074 ( 0.719 0.000 -1.406) 1.580 30.264 ( 17.007 0.000 3.491) 17.361 30.302 ( 19.509 0.000 -5.371) 20.235 30.689 ( 5.705 0.000 2.555) 6.251 30.736 ( 7.678 0.000 -1.614) 7.846 31.195 ( -2.489 0.000 6.004) 6.500 31.213 ( -4.966 0.000 -2.616) 5.613 31.510 ( -14.925 0.000 1.869) 15.041 31.512 ( -11.233 0.000 -0.765) 11.259 32.044 ( 0.379 0.000 2.333) 2.363 32.135 ( -3.812 0.000 -2.853) 4.761 32.314 ( -11.285 0.000 -2.704) 11.604 32.323 ( -10.191 0.000 2.201) 10.426 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.369 0.000 -1.148) 1.206 2.047 ( -6.483 0.000 -1.245) 6.602 2.311 ( -0.182 0.000 4.588) 4.592 2.406 ( 2.255 0.000 -4.729) 5.239 2.465 ( 4.640 0.000 4.000) 6.126 2.469 ( 2.413 0.000 4.476) 5.085 2.556 ( -1.916 0.000 1.905) 2.702 2.642 ( -2.802 0.000 -7.613) 8.112 2.786 ( 0.826 0.000 -0.501) 0.966 2.794 ( -4.300 0.000 0.037) 4.300 3.022 ( -1.030 0.000 -3.851) 3.986 3.047 ( -1.001 0.000 -4.370) 4.483 3.338 ( 9.521 0.000 1.668) 9.666 3.341 ( -11.272 0.000 1.031) 11.319 3.496 ( 5.776 0.000 0.486) 5.796 3.537 ( -6.541 0.000 -3.222) 7.291 3.591 ( 2.961 0.000 1.750) 3.440 3.608 ( -1.479 0.000 2.205) 2.655 3.810 ( 4.222 0.000 2.534) 4.924 3.842 ( -0.297 0.000 -1.665) 1.691 3.876 ( -1.991 0.000 4.209) 4.656 3.960 ( -3.494 0.000 -1.638) 3.859 4.273 ( 1.422 0.000 3.305) 3.598 4.326 ( 3.125 0.000 -2.744) 4.159 4.708 ( 0.821 0.000 8.512) 8.551 4.847 ( -2.960 0.000 -5.924) 6.622 4.938 ( 1.808 0.000 -4.118) 4.498 4.969 ( 4.243 0.000 -6.915) 8.113 5.330 ( 9.488 0.000 7.850) 12.314 5.437 ( -8.705 0.000 -2.843) 9.157 5.611 ( 5.772 0.000 1.454) 5.953 5.625 ( -4.054 0.000 -0.639) 4.104 5.796 ( 6.978 0.000 4.488) 8.297 5.835 ( -2.961 0.000 -1.647) 3.388 5.919 ( -3.667 0.000 4.509) 5.812 6.076 ( -1.765 0.000 -9.104) 9.273 6.115 ( -4.620 0.000 1.170) 4.766 6.134 ( 5.628 0.000 -1.212) 5.757 6.774 ( 1.576 0.000 3.105) 3.482 6.802 ( 2.106 0.000 -0.110) 2.109 7.037 ( 5.364 0.000 2.012) 5.729 7.057 ( -7.493 0.000 -0.752) 7.531 7.084 ( -9.397 0.000 2.057) 9.619 7.120 ( 6.094 0.000 -1.319) 6.235 7.643 ( 1.260 0.000 1.125) 1.689 7.652 ( -1.897 0.000 -0.299) 1.920 8.042 ( 4.355 0.000 0.703) 4.411 8.050 ( -7.153 0.000 -0.058) 7.153 8.765 ( 0.706 0.000 0.292) 0.764 8.797 ( 3.356 0.000 -2.907) 4.440 9.007 ( 0.163 0.000 -4.050) 4.053 9.009 ( -2.697 0.000 -4.003) 4.826 9.679 ( 0.482 0.000 2.982) 3.020 9.711 ( -1.771 0.000 -0.285) 1.794 9.807 ( -1.179 0.000 0.889) 1.477 9.822 ( 0.429 0.000 -0.688) 0.810 10.804 ( -5.657 0.000 1.894) 5.965 10.833 ( -1.509 0.000 -0.979) 1.798 10.856 ( 0.041 0.000 0.187) 0.192 10.859 ( 10.100 0.000 0.006) 10.100 11.167 ( 1.197 0.000 2.961) 3.193 11.196 ( -2.190 0.000 0.142) 2.195 11.723 ( 4.466 0.000 4.996) 6.702 11.732 ( -3.231 0.000 4.027) 5.163 12.100 ( 9.836 0.000 0.381) 9.843 12.123 ( -8.721 0.000 -1.937) 8.933 12.323 ( -5.425 0.000 -0.462) 5.445 12.324 ( -3.525 0.000 -0.291) 3.537 12.389 ( -1.624 0.000 0.661) 1.753 12.396 ( 9.422 0.000 -0.817) 9.457 12.654 ( -6.747 0.000 0.133) 6.748 12.709 ( 5.474 0.000 -4.790) 7.273 14.192 ( -5.617 0.000 0.380) 5.630 14.197 ( 0.998 0.000 -0.129) 1.007 14.275 ( -1.291 0.000 -0.331) 1.332 14.278 ( 5.682 0.000 -0.536) 5.707 17.678 ( -6.721 0.000 -0.296) 6.727 17.698 ( 0.066 0.000 -2.378) 2.379 17.755 ( 5.036 0.000 -0.152) 5.038 17.775 ( 1.543 0.000 -2.219) 2.703 20.209 ( -3.177 0.000 2.088) 3.802 20.251 ( -4.770 0.000 -2.230) 5.266 20.276 ( 2.636 0.000 1.379) 2.975 20.301 ( 4.451 0.000 -1.172) 4.603 22.809 ( 3.252 0.000 2.000) 3.818 22.843 ( -7.072 0.000 -1.430) 7.215 22.870 ( -2.301 0.000 0.943) 2.487 22.876 ( 6.430 0.000 0.308) 6.437 27.631 ( 3.404 0.000 0.006) 3.404 27.632 ( -2.777 0.000 -0.159) 2.782 27.642 ( -3.232 0.000 0.387) 3.255 27.649 ( 2.592 0.000 -0.316) 2.611 29.738 ( -1.448 0.000 -0.464) 1.520 29.749 ( -0.076 0.000 -1.568) 1.570 30.046 ( 1.260 0.000 0.889) 1.542 30.062 ( -0.543 0.000 -0.683) 0.873 30.552 ( -0.319 0.000 2.086) 2.111 30.611 ( 4.634 0.000 -4.046) 6.152 30.658 ( 0.003 0.000 2.766) 2.766 30.718 ( -4.057 0.000 -3.579) 5.410 31.226 ( -1.348 0.000 4.152) 4.365 31.263 ( 8.235 0.000 0.248) 8.239 31.273 ( -1.058 0.000 2.519) 2.732 31.320 ( -5.273 0.000 -1.942) 5.620 32.124 ( -2.321 0.000 -0.301) 2.340 32.126 ( 0.445 0.000 -0.614) 0.758 32.148 ( 4.997 0.000 0.243) 5.003 32.162 ( -2.628 0.000 -1.237) 2.904 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -9.220 0.000 0.780) 9.253 1.942 ( -7.987 0.000 5.408) 9.646 2.338 ( 0.936 0.000 1.365) 1.656 2.384 ( -4.268 0.000 -4.138) 5.945 2.405 ( -5.440 0.000 1.165) 5.564 2.498 ( -5.419 0.000 -5.917) 8.024 2.597 ( 1.307 0.000 2.358) 2.696 2.653 ( 8.084 0.000 8.944) 12.056 2.735 ( -0.627 0.000 3.127) 3.190 2.809 ( -13.021 0.000 0.621) 13.035 2.841 ( 1.776 0.000 -4.336) 4.686 2.936 ( -6.332 0.000 -0.512) 6.353 3.271 ( 0.439 0.000 0.495) 0.662 3.315 ( -6.947 0.000 0.702) 6.982 3.532 ( -8.303 0.000 5.285) 9.843 3.559 ( 3.728 0.000 -3.124) 4.864 3.604 ( 5.175 0.000 0.507) 5.199 3.683 ( 4.341 0.000 1.850) 4.718 3.852 ( -3.257 0.000 6.338) 7.126 3.854 ( 2.844 0.000 1.761) 3.345 3.942 ( 4.671 0.000 -2.990) 5.546 3.948 ( 8.428 0.000 -6.511) 10.650 4.252 ( -5.375 0.000 -2.250) 5.827 4.378 ( 1.780 0.000 -3.211) 3.671 4.731 ( 2.208 0.000 8.335) 8.623 4.831 ( 1.636 0.000 -4.942) 5.205 4.995 ( -1.053 0.000 -6.374) 6.460 5.056 ( 8.961 0.000 -10.071) 13.481 5.244 ( -9.644 0.000 -3.964) 10.427 5.508 ( 7.045 0.000 7.118) 10.015 5.532 ( -6.017 0.000 -1.891) 6.307 5.686 ( 1.184 0.000 0.667) 1.359 5.748 ( -3.818 0.000 -3.229) 5.000 5.885 ( 0.157 0.000 3.612) 3.616 5.960 ( 5.829 0.000 7.789) 9.729 6.015 ( -3.980 0.000 -2.950) 4.954 6.064 ( 0.467 0.000 -4.892) 4.914 6.267 ( 6.502 0.000 -2.664) 7.027 6.746 ( -8.604 0.000 2.773) 9.040 6.793 ( -0.460 0.000 -0.711) 0.847 6.821 ( -14.763 0.000 3.329) 15.133 6.959 ( -1.028 0.000 0.667) 1.226 7.104 ( 0.427 0.000 3.663) 3.688 7.214 ( -2.556 0.000 2.996) 3.938 7.410 ( -14.114 0.000 -2.416) 14.319 7.441 ( -12.494 0.000 -0.326) 12.498 8.077 ( 5.517 0.000 5.038) 7.471 8.218 ( 8.434 0.000 3.464) 9.118 8.635 ( -12.748 0.000 -1.957) 12.897 8.706 ( -12.044 0.000 -7.813) 14.356 8.862 ( -10.326 0.000 -3.776) 10.995 8.938 ( -4.639 0.000 -0.984) 4.742 9.597 ( -7.889 0.000 5.627) 9.690 9.626 ( -6.107 0.000 1.822) 6.373 9.837 ( 3.229 0.000 0.097) 3.230 9.840 ( 1.209 0.000 -0.252) 1.235 10.293 ( -23.896 0.000 0.589) 23.903 10.314 ( -22.093 0.000 0.365) 22.096 10.800 ( -9.331 0.000 -3.338) 9.910 10.861 ( -6.639 0.000 1.027) 6.718 11.595 ( 10.395 0.000 2.445) 10.678 11.670 ( 11.972 0.000 0.636) 11.989 11.789 ( 13.822 0.000 4.226) 14.454 11.900 ( 4.587 0.000 -2.225) 5.098 11.986 ( 7.544 0.000 -0.935) 7.602 12.118 ( -5.841 0.000 -2.081) 6.201 12.218 ( 10.792 0.000 1.504) 10.896 12.247 ( 10.941 0.000 2.517) 11.226 12.597 ( 15.224 0.000 0.191) 15.225 12.744 ( 18.444 0.000 -2.509) 18.614 12.899 ( 21.804 0.000 1.131) 21.833 13.055 ( 22.858 0.000 -2.199) 22.964 13.910 ( -13.004 0.000 0.284) 13.007 13.916 ( -13.872 0.000 0.829) 13.897 14.546 ( 14.280 0.000 -1.289) 14.338 14.558 ( 14.044 0.000 -0.114) 14.045 17.182 ( -27.757 0.000 0.106) 27.757 17.257 ( -25.253 0.000 -2.828) 25.411 18.149 ( 19.700 0.000 -0.463) 19.705 18.181 ( 20.584 0.000 -1.576) 20.644 19.529 ( -35.885 0.000 2.900) 36.002 19.567 ( -36.071 0.000 -1.642) 36.108 20.841 ( 25.474 0.000 1.285) 25.506 20.870 ( 25.463 0.000 -1.158) 25.489 22.620 ( -10.553 0.000 -0.615) 10.571 22.645 ( -9.193 0.000 1.263) 9.280 23.017 ( 6.246 0.000 2.037) 6.569 23.052 ( 6.474 0.000 -0.910) 6.537 27.547 ( -3.265 0.000 -0.179) 3.270 27.556 ( -3.101 0.000 0.088) 3.102 27.761 ( 7.080 0.000 0.447) 7.094 27.773 ( 7.158 0.000 -0.356) 7.167 29.595 ( -11.285 0.000 0.445) 11.293 29.619 ( -11.183 0.000 0.173) 11.184 30.040 ( -3.780 0.000 -2.675) 4.631 30.042 ( -3.743 0.000 1.859) 4.179 30.237 ( -19.481 0.000 1.732) 19.558 30.355 ( -17.283 0.000 -6.244) 18.376 30.704 ( -5.741 0.000 1.699) 5.987 30.732 ( -4.573 0.000 -1.873) 4.941 31.147 ( 2.137 0.000 4.281) 4.785 31.296 ( 4.253 0.000 -4.241) 6.006 31.469 ( 11.913 0.000 3.288) 12.358 31.517 ( 14.507 0.000 1.318) 14.567 32.082 ( 1.643 0.000 2.554) 3.037 32.099 ( 1.542 0.000 -3.307) 3.649 32.274 ( 8.787 0.000 1.342) 8.889 32.377 ( 13.545 0.000 -3.193) 13.916 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -11.256 0.000 12.153) 16.565 1.755 ( -0.172 0.000 -2.911) 2.917 2.218 ( -11.870 0.000 3.880) 12.488 2.268 ( -1.300 0.000 0.608) 1.435 2.362 ( -7.275 0.000 -1.668) 7.464 2.393 ( -0.649 0.000 2.166) 2.261 2.595 ( -1.321 0.000 -1.328) 1.873 2.631 ( -3.282 0.000 1.987) 3.836 2.718 ( -0.373 0.000 9.809) 9.816 2.738 ( -1.387 0.000 3.183) 3.472 2.868 ( 2.918 0.000 -3.455) 4.522 2.938 ( 3.481 0.000 -3.070) 4.642 3.268 ( 2.512 0.000 -1.652) 3.007 3.282 ( 0.793 0.000 0.315) 0.854 3.312 ( -11.237 0.000 0.126) 11.238 3.478 ( -9.486 0.000 -3.795) 10.217 3.671 ( 1.132 0.000 1.042) 1.539 3.717 ( -2.069 0.000 3.281) 3.879 3.841 ( 0.507 0.000 3.786) 3.820 3.923 ( 1.382 0.000 1.163) 1.806 4.017 ( 3.943 0.000 -4.316) 5.846 4.097 ( -3.521 0.000 -2.957) 4.598 4.165 ( 6.809 0.000 -5.522) 8.767 4.330 ( -8.131 0.000 1.436) 8.257 4.781 ( -1.420 0.000 2.512) 2.885 4.855 ( -4.464 0.000 -0.359) 4.478 4.936 ( -8.215 0.000 -11.597) 14.212 5.072 ( 1.018 0.000 0.659) 1.212 5.168 ( -1.024 0.000 -11.318) 11.365 5.359 ( -7.539 0.000 -1.265) 7.645 5.620 ( 3.088 0.000 4.723) 5.643 5.666 ( -2.200 0.000 1.626) 2.735 5.744 ( 3.135 0.000 0.933) 3.271 5.874 ( -0.601 0.000 8.658) 8.679 5.978 ( -4.392 0.000 4.676) 6.415 5.990 ( -0.147 0.000 -7.406) 7.407 6.005 ( -6.729 0.000 -7.044) 9.741 6.361 ( 1.646 0.000 -1.831) 2.462 6.575 ( -3.704 0.000 3.224) 4.911 6.585 ( -5.003 0.000 7.973) 9.413 6.655 ( -23.119 0.000 -3.338) 23.359 6.895 ( -6.173 0.000 2.529) 6.671 6.915 ( -7.213 0.000 -1.620) 7.392 7.023 ( -5.329 0.000 5.954) 7.990 7.352 ( 5.706 0.000 -2.744) 6.331 7.439 ( 6.471 0.000 1.954) 6.760 8.113 ( -4.643 0.000 7.290) 8.643 8.246 ( -13.745 0.000 3.792) 14.259 8.374 ( -2.587 0.000 -4.775) 5.431 8.473 ( -6.010 0.000 -4.895) 7.751 8.673 ( -6.396 0.000 -2.606) 6.906 8.813 ( -6.969 0.000 -5.024) 8.591 9.405 ( -10.416 0.000 6.857) 12.471 9.473 ( -8.534 0.000 3.903) 9.384 9.856 ( -3.400 0.000 -0.579) 3.449 9.857 ( 0.164 0.000 -0.779) 0.796 10.001 ( -3.405 0.000 0.385) 3.427 10.043 ( -5.090 0.000 1.717) 5.372 10.620 ( -7.019 0.000 -2.436) 7.430 10.696 ( -7.673 0.000 -0.162) 7.675 11.502 ( -9.808 0.000 2.420) 10.102 11.538 ( -11.245 0.000 0.163) 11.246 11.853 ( -2.004 0.000 -4.860) 5.257 11.982 ( -3.960 0.000 -6.676) 7.762 12.223 ( 19.053 0.000 9.062) 21.098 12.377 ( 18.629 0.000 1.900) 18.726 12.762 ( 30.404 0.000 0.093) 30.404 12.766 ( 30.727 0.000 -0.070) 30.727 12.910 ( 14.659 0.000 -0.074) 14.659 13.116 ( 16.652 0.000 -1.493) 16.718 13.209 ( 2.045 0.000 1.097) 2.321 13.344 ( -1.241 0.000 -1.259) 1.768 13.863 ( 14.711 0.000 0.401) 14.716 13.890 ( 18.754 0.000 -0.318) 18.756 14.821 ( 12.466 0.000 -1.606) 12.569 14.830 ( 12.308 0.000 0.431) 12.316 16.563 ( -32.028 0.000 -0.353) 32.030 16.681 ( -30.639 0.000 -3.965) 30.894 18.516 ( 8.078 0.000 0.880) 8.126 18.561 ( 6.708 0.000 0.562) 6.732 18.836 ( -22.616 0.000 2.778) 22.786 18.859 ( -21.784 0.000 -2.928) 21.980 21.286 ( 17.563 0.000 1.094) 17.597 21.313 ( 17.560 0.000 -0.838) 17.580 22.433 ( -7.370 0.000 0.084) 7.370 22.485 ( -6.130 0.000 1.241) 6.255 23.060 ( -2.997 0.000 3.368) 4.508 23.102 ( -2.215 0.000 -1.983) 2.973 27.499 ( -1.480 0.000 -0.169) 1.489 27.510 ( -1.496 0.000 0.030) 1.496 27.918 ( 7.925 0.000 0.696) 7.955 27.933 ( 8.126 0.000 -0.522) 8.143 29.313 ( -15.659 0.000 0.839) 15.681 29.336 ( -15.675 0.000 0.590) 15.686 29.693 ( -25.957 0.000 4.285) 26.309 29.756 ( -23.664 0.000 -7.769) 24.907 30.006 ( -6.702 0.000 2.137) 7.035 30.089 ( -7.777 0.000 -3.594) 8.568 30.491 ( -12.197 0.000 0.455) 12.205 30.566 ( -9.572 0.000 -3.662) 10.248 31.246 ( 5.086 0.000 6.491) 8.246 31.380 ( 3.286 0.000 -6.371) 7.168 31.727 ( 12.762 0.000 3.015) 13.113 31.887 ( 20.889 0.000 1.244) 20.926 32.190 ( 6.726 0.000 -4.668) 8.187 32.192 ( 8.190 0.000 5.167) 9.684 32.488 ( 11.541 0.000 3.917) 12.188 32.678 ( 15.602 0.000 -6.419) 16.871 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -2.578 0.000 19.343) 19.514 1.757 ( -7.389 0.000 -1.260) 7.496 2.051 ( 4.642 0.000 8.776) 9.928 2.236 ( -5.404 0.000 -0.224) 5.408 2.292 ( -1.274 0.000 2.277) 2.609 2.326 ( -4.867 0.000 -0.724) 4.921 2.511 ( -4.604 0.000 -4.959) 6.767 2.636 ( -0.059 0.000 5.746) 5.746 2.720 ( 2.447 0.000 2.783) 3.705 2.744 ( 1.610 0.000 -1.191) 2.003 2.886 ( -0.802 0.000 4.758) 4.825 2.991 ( 0.202 0.000 -6.268) 6.271 3.111 ( -7.699 0.000 -4.527) 8.931 3.242 ( -9.136 0.000 -1.774) 9.307 3.313 ( 1.218 0.000 -1.183) 1.698 3.385 ( 3.658 0.000 -5.108) 6.283 3.583 ( -10.251 0.000 4.034) 11.016 3.652 ( -5.000 0.000 0.264) 5.006 3.808 ( -5.081 0.000 1.039) 5.186 3.849 ( -10.558 0.000 1.850) 10.719 4.034 ( -9.705 0.000 4.902) 10.873 4.036 ( -2.561 0.000 0.655) 2.644 4.099 ( -5.756 0.000 -4.732) 7.451 4.205 ( -6.649 0.000 -9.340) 11.465 4.513 ( -11.167 0.000 -1.561) 11.276 4.572 ( -11.635 0.000 -4.625) 12.520 4.904 ( -0.153 0.000 -0.778) 0.793 5.043 ( -8.217 0.000 1.051) 8.284 5.215 ( 7.008 0.000 1.742) 7.221 5.320 ( 3.228 0.000 -3.241) 4.574 5.618 ( -2.263 0.000 4.135) 4.714 5.626 ( -1.665 0.000 0.025) 1.665 5.784 ( -0.813 0.000 3.499) 3.592 5.850 ( -6.144 0.000 2.674) 6.700 5.867 ( -3.145 0.000 8.212) 8.793 5.945 ( -1.915 0.000 -4.359) 4.761 5.990 ( 6.439 0.000 -10.598) 12.401 6.091 ( -23.976 0.000 -5.800) 24.668 6.349 ( -2.017 0.000 1.375) 2.441 6.476 ( -7.245 0.000 -0.791) 7.288 6.621 ( 3.906 0.000 -2.315) 4.540 6.784 ( -3.725 0.000 3.596) 5.177 6.936 ( 6.623 0.000 4.248) 7.868 7.015 ( 5.699 0.000 9.085) 10.725 7.549 ( 10.957 0.000 -4.078) 11.691 7.570 ( 5.908 0.000 4.316) 7.316 7.981 ( -8.554 0.000 -0.530) 8.571 7.985 ( -4.969 0.000 3.731) 6.214 8.286 ( -6.856 0.000 -5.728) 8.933 8.355 ( -9.009 0.000 1.519) 9.136 8.619 ( 0.052 0.000 -0.132) 0.141 8.719 ( -0.778 0.000 -8.276) 8.313 9.203 ( -8.812 0.000 6.619) 11.021 9.307 ( -7.231 0.000 2.680) 7.712 9.813 ( 0.704 0.000 1.659) 1.802 9.868 ( 0.123 0.000 2.953) 2.955 9.971 ( -2.531 0.000 -0.328) 2.552 9.998 ( -0.608 0.000 1.006) 1.176 10.535 ( -1.149 0.000 -2.415) 2.675 10.592 ( -2.121 0.000 -1.524) 2.612 11.336 ( -5.392 0.000 2.561) 5.969 11.342 ( -6.587 0.000 0.348) 6.596 11.818 ( -1.628 0.000 -3.155) 3.550 11.890 ( -4.631 0.000 -6.844) 8.264 12.591 ( 15.086 0.000 8.357) 17.246 12.684 ( 9.698 0.000 0.641) 9.719 12.877 ( -13.465 0.000 1.336) 13.531 12.966 ( -11.550 0.000 0.238) 11.553 13.241 ( 16.026 0.000 -0.297) 16.029 13.464 ( 25.341 0.000 -1.400) 25.379 13.492 ( 25.384 0.000 -0.219) 25.385 13.575 ( 19.675 0.000 -3.124) 19.922 14.333 ( 24.544 0.000 0.695) 24.554 14.403 ( 25.235 0.000 -1.072) 25.258 15.054 ( 10.167 0.000 -1.535) 10.282 15.060 ( 9.780 0.000 0.635) 9.801 15.908 ( -29.873 0.000 -0.947) 29.888 16.011 ( -33.309 0.000 -3.550) 33.498 18.005 ( -33.893 0.000 -1.052) 33.909 18.022 ( -31.950 0.000 3.888) 32.186 19.104 ( 25.027 0.000 0.781) 25.039 19.169 ( 26.260 0.000 -0.948) 26.277 21.561 ( 9.148 0.000 0.889) 9.191 21.588 ( 9.220 0.000 -0.852) 9.260 22.318 ( -4.135 0.000 0.773) 4.207 22.390 ( -3.699 0.000 1.239) 3.901 22.886 ( -13.551 0.000 4.793) 14.374 22.947 ( -12.315 0.000 -3.673) 12.851 27.482 ( -0.261 0.000 -0.167) 0.310 27.491 ( -0.451 0.000 0.039) 0.452 28.077 ( 7.302 0.000 0.694) 7.335 28.095 ( 7.311 0.000 -0.629) 7.338 28.945 ( -21.714 0.000 2.422) 21.849 28.970 ( -21.632 0.000 -2.865) 21.821 29.172 ( -21.185 0.000 2.689) 21.355 29.224 ( -23.348 0.000 -4.357) 23.751 29.853 ( -8.039 0.000 4.943) 9.437 29.942 ( -6.807 0.000 -3.792) 7.792 30.259 ( -9.729 0.000 0.194) 9.731 30.374 ( -8.380 0.000 -6.352) 10.515 31.332 ( 2.879 0.000 7.433) 7.971 31.434 ( 2.532 0.000 -7.474) 7.891 31.983 ( 11.641 0.000 3.912) 12.281 32.300 ( 13.824 0.000 -3.625) 14.291 32.356 ( 12.264 0.000 -4.859) 13.192 32.382 ( 8.919 0.000 7.503) 11.655 32.756 ( 14.948 0.000 7.413) 16.685 33.001 ( 15.794 0.000 -8.088) 17.744 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -9.746 0.000 15.202) 18.058 1.661 ( 6.868 0.000 16.634) 17.996 2.068 ( -17.111 0.000 -0.756) 17.128 2.134 ( -3.206 0.000 7.411) 8.075 2.248 ( -1.963 0.000 1.021) 2.213 2.335 ( 15.067 0.000 -11.986) 19.253 2.446 ( -2.159 0.000 5.505) 5.913 2.659 ( -20.447 0.000 0.349) 20.450 2.706 ( 6.208 0.000 3.896) 7.329 2.736 ( -1.890 0.000 -7.900) 8.123 2.769 ( -1.880 0.000 10.866) 11.028 2.971 ( -4.767 0.000 -6.580) 8.125 3.028 ( 2.816 0.000 -0.847) 2.940 3.093 ( -5.218 0.000 1.306) 5.379 3.253 ( -9.183 0.000 -2.438) 9.501 3.288 ( -12.873 0.000 -1.057) 12.916 3.393 ( -7.367 0.000 -3.290) 8.068 3.436 ( -11.468 0.000 -10.522) 15.564 3.528 ( -6.526 0.000 -0.368) 6.536 3.651 ( -7.890 0.000 0.019) 7.890 3.925 ( -0.335 0.000 -7.294) 7.302 3.956 ( 2.406 0.000 7.768) 8.132 4.111 ( 2.943 0.000 -0.174) 2.948 4.169 ( 2.916 0.000 0.862) 3.040 4.435 ( -3.713 0.000 -0.925) 3.827 4.481 ( 2.037 0.000 1.337) 2.436 4.874 ( -2.399 0.000 -1.020) 2.607 4.944 ( -1.010 0.000 -3.574) 3.714 5.265 ( -1.466 0.000 0.197) 1.479 5.355 ( -4.814 0.000 2.087) 5.247 5.553 ( -0.542 0.000 -2.126) 2.194 5.619 ( -0.237 0.000 0.989) 1.017 5.730 ( -3.055 0.000 2.946) 4.244 5.745 ( -4.558 0.000 1.922) 4.947 5.752 ( -3.842 0.000 3.393) 5.126 5.830 ( -2.549 0.000 -5.108) 5.709 5.974 ( 2.975 0.000 3.104) 4.300 6.104 ( 3.101 0.000 -7.191) 7.831 6.310 ( -0.952 0.000 -0.130) 0.960 6.358 ( -3.473 0.000 -1.339) 3.722 6.667 ( 0.801 0.000 -2.927) 3.034 6.691 ( -4.761 0.000 2.049) 5.183 7.124 ( 9.847 0.000 5.376) 11.219 7.238 ( 11.696 0.000 6.216) 13.245 7.686 ( 5.290 0.000 5.474) 7.613 7.709 ( 3.001 0.000 -0.213) 3.009 7.911 ( 0.862 0.000 -1.670) 1.879 7.922 ( -2.739 0.000 1.358) 3.057 8.147 ( -8.968 0.000 2.102) 9.211 8.151 ( -4.067 0.000 -8.023) 8.995 8.634 ( 1.234 0.000 -0.547) 1.350 8.718 ( -0.482 0.000 -4.892) 4.916 9.075 ( -3.536 0.000 6.075) 7.029 9.192 ( -3.779 0.000 -0.331) 3.794 9.806 ( -4.783 0.000 5.118) 7.005 9.842 ( -1.164 0.000 1.724) 2.080 9.919 ( 0.731 0.000 1.289) 1.482 10.038 ( 2.770 0.000 -0.692) 2.855 10.541 ( 1.040 0.000 -1.856) 2.127 10.578 ( -0.208 0.000 -2.016) 2.026 11.288 ( 0.845 0.000 0.202) 0.869 11.295 ( 0.774 0.000 1.310) 1.521 11.782 ( -1.622 0.000 -0.643) 1.745 11.801 ( -3.057 0.000 -5.398) 6.203 12.597 ( -11.155 0.000 0.870) 11.189 12.625 ( -10.630 0.000 2.129) 10.842 12.818 ( 6.137 0.000 7.277) 9.519 12.892 ( 2.738 0.000 -2.983) 4.049 13.558 ( 14.399 0.000 0.104) 14.399 13.878 ( 11.311 0.000 -4.179) 12.058 13.926 ( 15.073 0.000 0.210) 15.075 13.931 ( 13.533 0.000 -2.203) 13.711 14.742 ( 13.194 0.000 0.312) 13.198 14.807 ( 11.491 0.000 -1.284) 11.563 15.183 ( -0.661 0.000 -0.010) 0.661 15.198 ( 0.067 0.000 -0.729) 0.732 15.448 ( -13.007 0.000 0.055) 13.007 15.468 ( -8.084 0.000 -0.770) 8.121 17.405 ( -22.234 0.000 -1.345) 22.274 17.439 ( -23.345 0.000 3.212) 23.565 19.640 ( 24.870 0.000 2.101) 24.958 19.725 ( 25.390 0.000 -1.542) 25.436 21.667 ( 1.387 0.000 0.571) 1.500 21.692 ( 0.876 0.000 -0.836) 1.211 22.236 ( -4.703 0.000 -0.609) 4.743 22.281 ( -8.859 0.000 1.716) 9.024 22.598 ( -10.560 0.000 4.877) 11.632 22.664 ( -11.663 0.000 -3.875) 12.290 27.484 ( 0.359 0.000 -0.163) 0.394 27.487 ( -0.010 0.000 0.115) 0.115 28.205 ( 4.697 0.000 0.366) 4.711 28.217 ( 4.207 0.000 -0.484) 4.235 28.461 ( -22.544 0.000 -3.186) 22.768 28.466 ( -20.809 0.000 2.173) 20.922 28.884 ( -8.283 0.000 0.780) 8.320 28.902 ( -9.394 0.000 0.894) 9.436 29.703 ( -6.174 0.000 8.146) 10.222 29.819 ( -4.501 0.000 -4.447) 6.327 30.108 ( -4.851 0.000 -0.011) 4.851 30.229 ( -5.121 0.000 -8.794) 10.177 31.372 ( 0.689 0.000 7.623) 7.655 31.479 ( 2.151 0.000 -7.655) 7.952 32.193 ( 8.140 0.000 5.641) 9.904 32.440 ( 3.718 0.000 -6.840) 7.785 32.529 ( 4.565 0.000 8.253) 9.432 32.602 ( 7.593 0.000 -4.656) 8.906 33.104 ( 16.337 0.000 5.659) 17.289 33.284 ( 10.794 0.000 -6.925) 12.825 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.278 2.021 19.606) 19.752 1.712 ( -3.257 -3.543 -2.327) 5.346 1.938 ( 1.108 5.463 18.691) 19.504 2.096 ( -3.261 0.140 7.427) 8.113 2.174 ( -1.409 0.598 -0.810) 1.732 2.281 ( 1.258 0.659 -9.970) 10.070 2.448 ( 2.678 1.900 6.600) 7.372 2.575 ( -0.257 -7.726 -1.382) 7.853 2.680 ( -2.757 2.594 0.407) 3.807 2.744 ( 6.790 -0.161 0.469) 6.808 2.877 ( -7.543 -0.667 5.906) 9.603 2.901 ( -1.690 -0.523 2.783) 3.298 2.925 ( 2.228 -2.410 4.051) 5.214 3.023 ( -1.635 -2.735 -2.024) 3.775 3.091 ( 5.032 2.356 -8.682) 10.308 3.170 ( 4.016 0.580 -12.754) 13.384 3.336 ( -2.797 6.902 -0.833) 7.493 3.401 ( 0.532 5.781 -8.166) 10.019 3.553 ( 2.333 0.590 0.714) 2.510 3.614 ( -0.275 3.498 -6.281) 7.195 3.902 ( -0.245 -5.514 4.893) 7.376 4.003 ( 3.980 -1.052 -6.034) 7.305 4.042 ( 1.144 -10.604 4.762) 11.680 4.166 ( -1.088 -6.215 -7.266) 9.624 4.432 ( 2.098 1.582 1.722) 3.141 4.474 ( -1.248 -0.142 -1.958) 2.326 4.846 ( -0.892 0.550 1.728) 2.021 4.895 ( -4.007 -2.453 -3.039) 5.595 5.263 ( 0.968 5.803 6.515) 8.778 5.346 ( -0.293 5.334 -1.746) 5.620 5.551 ( -4.635 1.259 5.081) 6.991 5.639 ( 0.209 -0.003 -0.701) 0.732 5.686 ( 1.266 0.525 -0.900) 1.640 5.719 ( 1.346 0.253 -1.064) 1.735 5.760 ( -0.518 2.894 4.944) 5.752 5.844 ( 1.628 1.738 -2.751) 3.639 5.996 ( 1.224 -2.986 0.468) 3.261 6.070 ( 0.936 -3.548 -4.733) 5.989 6.248 ( -3.216 -3.888 0.206) 5.050 6.273 ( 1.891 -3.529 -1.736) 4.364 6.764 ( 0.210 11.668 2.458) 11.926 6.808 ( -0.489 12.130 -2.411) 12.377 7.177 ( 0.069 -9.195 6.220) 11.101 7.257 ( -0.113 -8.693 -2.332) 9.001 7.722 ( 2.128 -3.268 5.276) 6.561 7.766 ( 2.569 -2.761 2.506) 4.528 7.833 ( -2.697 0.500 2.638) 3.806 7.899 ( -2.197 0.367 -1.230) 2.544 8.029 ( -2.627 1.070 1.398) 3.162 8.141 ( 2.520 -2.678 -7.466) 8.323 8.627 ( -0.852 -1.969 0.957) 2.350 8.648 ( -1.711 -2.425 -1.126) 3.174 9.161 ( 3.026 7.709 3.960) 9.180 9.237 ( 1.051 5.826 -3.873) 7.074 9.763 ( 0.717 0.641 3.249) 3.388 9.794 ( -0.155 -0.506 0.043) 0.531 9.969 ( 1.614 -0.820 4.042) 4.428 10.017 ( -2.196 -2.162 -0.690) 3.158 10.555 ( -0.933 0.177 -0.300) 0.996 10.567 ( -0.687 0.157 -1.502) 1.660 11.317 ( 0.512 -0.052 0.119) 0.528 11.320 ( 0.775 -0.150 -0.237) 0.825 11.764 ( -1.518 1.572 -0.170) 2.192 11.787 ( -0.010 0.905 -2.592) 2.745 12.483 ( 0.637 -0.670 0.329) 0.981 12.486 ( 0.384 -0.732 0.047) 0.828 12.866 ( -0.078 0.168 3.103) 3.109 12.924 ( 2.674 -2.123 -2.664) 4.330 13.784 ( 4.627 -1.470 0.937) 4.944 13.815 ( -6.745 -2.828 -2.476) 7.722 14.089 ( -0.264 0.793 0.330) 0.898 14.094 ( -0.044 0.556 -0.241) 0.607 14.853 ( -0.694 -0.125 0.033) 0.706 14.858 ( 0.975 -0.239 -0.523) 1.132 15.149 ( -0.171 0.356 0.260) 0.473 15.157 ( -0.228 -0.057 -0.572) 0.618 15.448 ( 0.703 0.754 0.372) 1.096 15.459 ( -0.314 0.381 -0.669) 0.831 17.153 ( -1.279 0.090 1.134) 1.712 17.184 ( 2.665 -1.225 -2.091) 3.602 19.972 ( 1.388 0.630 2.203) 2.679 20.011 ( -0.970 -1.113 -1.970) 2.462 21.655 ( 0.138 -0.321 0.004) 0.350 21.660 ( -0.286 -0.618 -0.482) 0.834 22.171 ( -2.386 4.931 2.716) 6.114 22.216 ( 1.571 3.482 -1.965) 4.296 22.482 ( -0.642 -2.107 2.996) 3.718 22.528 ( 1.226 -3.031 -1.557) 3.621 27.489 ( -0.070 0.177 0.146) 0.240 27.492 ( 0.105 0.052 -0.152) 0.192 28.219 ( -0.740 0.081 0.212) 0.774 28.223 ( 1.765 -0.095 -0.217) 1.781 28.260 ( -0.173 -0.003 0.020) 0.174 28.260 ( -0.063 -0.003 -0.008) 0.064 28.807 ( -0.109 0.333 0.866) 0.934 28.813 ( 0.607 0.237 0.300) 0.717 29.666 ( -0.253 2.935 5.930) 6.621 29.759 ( -0.089 -1.084 -3.813) 3.965 30.072 ( 0.167 1.173 0.009) 1.185 30.146 ( -0.455 -1.915 -7.564) 7.816 31.414 ( -1.317 4.662 7.123) 8.614 31.532 ( 0.641 1.726 -5.461) 5.763 32.132 ( -0.297 -13.255 4.948) 14.152 32.189 ( 0.648 -13.804 -0.487) 13.828 32.761 ( 0.681 9.051 2.993) 9.557 32.809 ( -1.314 7.821 -1.073) 8.003 33.333 ( 1.081 2.354 -0.245) 2.602 33.393 ( -1.069 0.223 -5.835) 5.936 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 7.189 -0.313 17.519) 18.940 1.755 ( 5.573 7.358 6.962) 11.562 1.916 ( 0.792 -10.299 9.126) 13.784 2.160 ( 8.581 -2.846 3.507) 9.697 2.336 ( 5.061 9.160 -3.627) 11.076 2.387 ( 2.013 3.120 -5.717) 6.817 2.527 ( -3.644 3.709 -3.875) 6.485 2.557 ( 1.713 -6.946 0.411) 7.166 2.610 ( 6.235 1.656 -0.978) 6.525 2.703 ( -2.967 -2.498 7.468) 8.415 2.856 ( 2.427 -1.184 -2.706) 3.823 2.949 ( 6.952 -4.882 2.039) 8.736 3.016 ( 3.165 -1.412 -0.110) 3.467 3.083 ( 10.654 -3.844 1.572) 11.435 3.224 ( 3.082 6.521 -9.037) 11.562 3.315 ( 9.113 3.856 -0.869) 9.933 3.397 ( 10.152 8.758 4.616) 14.180 3.479 ( 6.453 2.492 -4.812) 8.427 3.633 ( 6.114 1.314 -6.183) 8.794 3.703 ( 8.401 -0.310 -3.739) 9.201 3.829 ( -5.078 -3.859 0.610) 6.407 4.000 ( -3.133 -9.306 -4.573) 10.832 4.058 ( -1.501 -4.214 -2.437) 5.094 4.141 ( 0.666 -4.633 -3.443) 5.811 4.459 ( 1.226 0.155 -3.473) 3.687 4.493 ( 2.050 -0.710 -2.007) 2.956 4.856 ( 3.116 1.667 2.952) 4.605 4.915 ( 6.627 1.137 4.394) 8.032 5.261 ( -0.104 4.955 1.854) 5.291 5.376 ( -0.792 5.819 3.469) 6.821 5.536 ( 4.783 -3.434 2.786) 6.514 5.598 ( -1.551 -2.888 4.227) 5.349 5.698 ( -2.993 -0.370 2.672) 4.029 5.727 ( 0.557 -0.060 1.463) 1.567 5.808 ( 3.994 3.298 -2.801) 5.889 5.879 ( 2.194 1.824 -2.970) 4.118 5.972 ( -2.282 -1.458 -2.970) 4.019 6.082 ( -0.175 -1.435 -4.610) 4.831 6.241 ( 2.388 -1.270 0.965) 2.872 6.369 ( 7.444 -3.452 -1.013) 8.268 6.694 ( -4.366 10.004 1.342) 10.997 6.835 ( 0.412 9.959 -0.586) 9.985 7.080 ( -7.329 -8.190 5.557) 12.315 7.227 ( -3.103 -5.227 -1.802) 6.340 7.618 ( -8.863 -2.503 2.261) 9.483 7.759 ( -5.077 -3.552 -0.750) 6.242 7.886 ( 5.674 0.290 3.118) 6.481 7.932 ( 4.743 -0.075 2.309) 5.275 8.019 ( 2.353 3.865 2.574) 5.206 8.212 ( 5.765 -4.255 -6.699) 9.809 8.613 ( -0.895 -1.238 3.369) 3.699 8.631 ( 0.796 -1.321 -0.641) 1.670 9.230 ( 3.778 4.683 0.532) 6.041 9.259 ( 2.100 4.154 -6.683) 8.144 9.837 ( 4.899 0.658 1.998) 5.331 9.863 ( 5.561 -0.229 -0.207) 5.570 9.932 ( -3.719 -0.334 0.443) 3.760 9.978 ( -1.527 -1.464 2.887) 3.579 10.513 ( -2.717 0.227 1.245) 2.997 10.541 ( -1.856 -0.818 1.179) 2.346 11.305 ( -0.111 0.236 -1.309) 1.335 11.320 ( 0.383 -0.355 -1.476) 1.566 11.741 ( 0.024 1.587 1.966) 2.527 11.791 ( 0.179 -0.202 -0.568) 0.629 12.615 ( 11.992 0.160 -0.760) 12.017 12.646 ( 12.926 -0.813 -0.851) 12.980 12.829 ( -3.888 0.903 1.652) 4.320 12.934 ( -3.480 -3.303 -6.790) 8.314 13.595 ( -12.820 2.605 -1.035) 13.123 13.762 ( -9.340 -4.442 1.597) 10.465 13.919 ( -15.529 0.767 0.465) 15.554 13.935 ( -15.229 0.364 0.294) 15.236 14.757 ( -12.341 0.218 -0.942) 12.378 14.780 ( -12.400 -0.702 0.065) 12.420 15.187 ( 1.539 0.047 -0.369) 1.583 15.192 ( 0.222 -0.152 -0.063) 0.276 15.457 ( 8.394 0.425 0.045) 8.405 15.467 ( 9.553 0.326 -0.352) 9.565 17.396 ( 23.107 1.489 0.174) 23.155 17.494 ( 24.734 -2.805 -4.301) 25.262 19.680 ( -25.694 0.213 -1.263) 25.725 19.693 ( -24.242 -0.234 1.005) 24.264 21.671 ( -1.112 -0.360 -0.057) 1.170 21.678 ( -0.799 -0.444 -0.228) 0.942 22.271 ( 7.582 5.954 1.301) 9.728 22.367 ( 7.784 6.624 0.335) 10.226 22.525 ( 8.234 -5.134 4.044) 10.513 22.634 ( 10.846 -4.964 -2.265) 12.141 27.484 ( -0.263 0.199 0.015) 0.331 27.490 ( -0.125 -0.064 -0.144) 0.201 28.206 ( -4.570 0.090 0.581) 4.607 28.208 ( -4.509 -0.009 0.094) 4.510 28.446 ( 20.639 1.327 -0.309) 20.684 28.519 ( 24.136 -1.920 -4.436) 24.615 28.897 ( 8.964 0.548 0.360) 8.988 28.914 ( 9.224 0.050 -0.146) 9.226 29.725 ( 5.406 2.335 4.893) 7.656 29.801 ( 4.142 -0.919 -2.818) 5.094 30.128 ( 5.203 0.921 1.215) 5.421 30.184 ( 4.428 -1.429 -6.952) 8.365 31.375 ( -2.631 4.224 7.409) 8.925 31.521 ( -1.634 0.531 -4.113) 4.457 32.056 ( -6.394 -11.667 3.032) 13.645 32.173 ( -2.927 -12.243 0.363) 12.593 32.672 ( -8.650 11.628 2.099) 14.644 32.762 ( -3.883 6.597 0.616) 7.680 33.179 ( -14.717 0.836 2.228) 14.908 33.222 ( -14.042 -0.597 -6.578) 15.518 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 5.053 7.160 8.308) 12.075 1.878 ( 7.177 4.983 1.260) 8.828 2.034 ( 9.051 -11.958 6.098) 16.190 2.221 ( 0.177 -2.704 -2.322) 3.568 2.387 ( -4.158 1.932 -5.306) 7.013 2.436 ( 4.445 2.998 -4.244) 6.838 2.484 ( 4.330 2.737 0.008) 5.123 2.594 ( 0.408 -3.839 -3.774) 5.399 2.601 ( 2.038 -2.626 1.234) 3.546 2.734 ( -1.972 -3.839 -5.254) 6.799 2.859 ( -2.209 -1.586 -0.305) 2.736 3.023 ( 5.720 -1.565 3.487) 6.880 3.206 ( 3.227 9.798 -1.364) 10.405 3.251 ( 4.113 5.446 -1.525) 6.993 3.325 ( 7.152 0.250 0.014) 7.156 3.393 ( -1.143 1.556 -5.988) 6.291 3.636 ( 7.319 -0.709 -0.507) 7.371 3.660 ( 6.483 3.432 2.128) 7.638 3.772 ( 5.921 -7.464 1.596) 9.660 3.890 ( 10.823 -0.100 8.675) 13.871 3.919 ( 9.131 -3.220 -1.437) 9.789 3.964 ( 4.616 -9.556 1.825) 10.768 4.054 ( 3.198 3.479 -3.204) 5.710 4.169 ( 4.119 -0.448 -1.990) 4.596 4.506 ( 4.694 -1.542 -0.828) 5.010 4.512 ( 2.631 -1.686 -3.845) 4.955 4.949 ( 3.539 6.438 1.490) 7.496 5.169 ( 13.031 2.499 -2.083) 13.430 5.208 ( -5.500 4.818 1.290) 7.425 5.327 ( -4.116 5.676 2.149) 7.333 5.550 ( -1.263 -5.493 3.372) 6.568 5.673 ( 3.736 -4.661 0.783) 6.025 5.719 ( 4.669 -3.569 8.962) 10.717 5.737 ( 2.476 -2.675 3.584) 5.112 5.839 ( -0.674 0.346 -2.098) 2.231 5.920 ( -0.447 0.736 -3.764) 3.861 6.009 ( 9.379 -1.140 -2.362) 9.739 6.094 ( 4.383 -1.699 -6.614) 8.114 6.337 ( 6.949 5.270 3.981) 9.587 6.554 ( 6.453 -3.289 -1.920) 7.493 6.636 ( 2.901 9.134 2.758) 9.972 6.800 ( -2.800 4.296 -2.331) 5.633 6.944 ( -5.511 -4.432 3.887) 8.069 7.156 ( -2.282 -1.447 -4.414) 5.175 7.437 ( -7.551 -0.387 1.707) 7.752 7.638 ( -6.140 -2.688 -1.931) 6.976 8.002 ( 7.141 2.975 0.974) 7.797 8.043 ( 7.461 1.578 -0.271) 7.631 8.152 ( 8.446 0.202 6.856) 10.880 8.349 ( 4.128 -6.009 -1.628) 7.470 8.627 ( 4.643 1.727 1.088) 5.072 8.673 ( 2.694 0.294 -3.852) 4.710 9.333 ( 6.769 0.551 -2.081) 7.103 9.350 ( 6.924 0.629 -5.506) 8.869 9.844 ( -1.810 0.207 -0.839) 2.006 9.873 ( -2.463 -1.187 0.724) 2.828 9.966 ( 2.732 1.843 1.626) 3.675 10.014 ( 3.759 -0.474 -0.797) 3.872 10.474 ( -0.071 0.537 3.970) 4.007 10.522 ( 1.311 -1.589 3.979) 4.481 11.363 ( 6.257 0.158 -1.912) 6.545 11.379 ( 5.894 -0.447 -2.336) 6.355 11.772 ( 2.160 0.391 3.926) 4.498 11.798 ( 0.952 0.147 2.192) 2.394 12.663 ( -11.177 0.778 0.545) 11.217 12.742 ( -13.725 -2.033 -7.975) 16.003 12.913 ( 13.798 0.535 -1.463) 13.886 12.961 ( 13.900 -1.573 -1.121) 14.034 13.281 ( -17.963 3.072 -0.532) 18.231 13.414 ( -23.643 -2.650 1.106) 23.816 13.495 ( -23.408 1.092 0.237) 23.435 13.536 ( -20.263 -0.338 0.808) 20.282 14.355 ( -24.562 0.148 -1.168) 24.590 14.375 ( -24.919 -0.684 0.475) 24.933 15.044 ( -10.569 0.676 0.172) 10.592 15.071 ( -9.904 -0.510 -0.864) 9.954 15.922 ( 31.595 0.831 -1.644) 31.649 15.971 ( 32.059 -1.299 -0.652) 32.092 18.004 ( 33.911 1.602 -0.118) 33.949 18.095 ( 32.164 -2.355 -4.849) 32.613 19.129 ( -25.495 0.595 -0.914) 25.519 19.151 ( -26.047 -0.356 0.329) 26.052 21.569 ( -8.962 -0.108 0.182) 8.964 21.578 ( -9.017 -0.264 -0.428) 9.031 22.368 ( 3.343 3.943 -0.823) 5.235 22.435 ( 2.124 2.759 0.599) 3.533 22.821 ( 14.523 -1.440 5.500) 15.596 22.914 ( 12.750 -4.131 -0.621) 13.416 27.483 ( 0.300 0.208 -0.083) 0.374 27.492 ( 0.391 -0.155 -0.156) 0.449 28.080 ( -7.317 0.146 0.848) 7.368 28.085 ( -7.173 -0.065 0.021) 7.174 28.956 ( 24.972 1.377 -1.441) 25.051 29.014 ( 19.330 -0.884 -4.770) 19.929 29.185 ( 18.989 0.718 1.419) 19.056 29.241 ( 25.182 -1.297 -4.071) 25.542 29.867 ( 7.615 1.096 3.099) 8.294 29.911 ( 6.235 -0.736 -1.777) 6.525 30.282 ( 9.415 0.709 2.265) 9.709 30.316 ( 8.451 -0.730 -4.781) 9.737 31.320 ( -2.904 3.312 7.494) 8.693 31.460 ( -4.120 -0.663 -2.534) 4.882 31.893 ( -9.210 -7.106 1.393) 11.716 32.057 ( -8.730 -11.042 0.842) 14.102 32.438 ( -13.314 12.812 2.031) 18.588 32.632 ( -9.082 7.648 -1.111) 11.925 32.810 ( -18.892 -3.025 3.788) 19.504 32.889 ( -16.405 -2.047 -4.991) 17.269 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 6.448 6.511 -0.598) 9.183 2.022 ( 6.649 0.818 -11.069) 12.939 2.170 ( 0.588 -9.484 3.419) 10.098 2.244 ( 1.370 -6.667 -0.348) 6.815 2.373 ( 5.600 3.551 -2.832) 7.210 2.500 ( 0.482 6.483 -2.757) 7.061 2.558 ( 1.464 1.792 1.984) 3.049 2.628 ( 2.739 -6.095 -0.931) 6.746 2.657 ( 3.980 -1.189 3.593) 5.492 2.752 ( 5.379 -2.848 -5.583) 8.259 2.833 ( 0.601 -0.716 3.219) 3.353 3.121 ( -1.772 -5.502 2.242) 6.200 3.152 ( 0.029 8.649 -7.299) 11.317 3.314 ( 0.938 6.851 2.790) 7.456 3.408 ( 5.615 1.250 -6.158) 8.427 3.486 ( 8.872 6.626 0.437) 11.082 3.696 ( -1.368 -0.831 -2.131) 2.665 3.719 ( 0.799 -6.229 -1.073) 6.371 3.815 ( -0.251 -4.123 0.992) 4.248 3.905 ( -3.020 -4.962 3.404) 6.733 4.013 ( -2.145 0.372 2.280) 3.153 4.027 ( -1.833 -2.019 0.334) 2.747 4.137 ( 4.116 5.916 -2.603) 7.663 4.331 ( 5.672 -3.003 1.413) 6.572 4.701 ( 11.603 -2.033 1.686) 11.900 4.721 ( 12.227 -2.920 3.471) 13.042 4.961 ( -2.698 6.518 1.976) 7.326 5.047 ( -7.888 0.652 0.770) 7.953 5.170 ( -5.569 11.292 4.404) 13.338 5.343 ( 2.481 1.871 3.587) 4.745 5.581 ( 2.827 -4.839 1.414) 5.780 5.721 ( -1.292 0.476 -3.732) 3.977 5.766 ( 0.272 2.419 3.019) 3.879 5.803 ( 1.303 -6.097 4.110) 7.467 5.853 ( 4.594 -4.723 0.179) 6.591 5.917 ( -0.019 -5.528 -0.665) 5.568 6.127 ( 4.451 3.088 -8.039) 9.695 6.352 ( 6.931 -3.246 3.301) 8.335 6.486 ( 9.779 3.741 2.522) 10.769 6.570 ( 2.748 -2.385 1.033) 3.782 6.775 ( 1.114 -4.271 -3.206) 5.455 6.886 ( 3.008 -2.028 -1.247) 3.836 6.931 ( 16.328 8.279 1.253) 18.350 7.188 ( 7.375 0.745 -3.957) 8.403 7.347 ( -0.921 4.612 -0.206) 4.708 7.513 ( -5.671 0.916 -3.598) 6.779 8.215 ( 9.839 0.655 7.577) 12.435 8.257 ( 8.145 1.533 -4.518) 9.439 8.303 ( 6.419 -2.683 5.639) 8.956 8.344 ( 3.898 -1.496 0.057) 4.176 8.740 ( 5.031 2.590 -5.841) 8.132 8.809 ( 10.196 -0.819 -4.178) 11.049 9.497 ( 8.121 -1.191 -1.782) 8.399 9.517 ( 8.873 -0.874 -4.429) 9.955 9.841 ( -0.418 -0.145 0.616) 0.759 9.846 ( 0.848 -0.340 0.335) 0.973 10.021 ( 5.580 1.363 -0.739) 5.792 10.063 ( 3.743 -0.321 -0.862) 3.854 10.544 ( 6.413 1.177 5.676) 8.645 10.629 ( 8.255 -2.416 4.433) 9.676 11.541 ( 9.839 -0.099 -0.737) 9.867 11.545 ( 9.321 -0.134 -1.854) 9.505 11.809 ( 2.260 1.039 2.990) 3.889 11.850 ( 3.083 -0.355 6.305) 7.027 12.358 ( -18.311 -0.201 -0.448) 18.318 12.394 ( -18.538 -1.040 -7.580) 20.055 12.751 ( -30.576 -0.020 0.861) 30.589 12.759 ( -30.234 -0.153 0.656) 30.242 12.950 ( -14.403 2.432 -0.994) 14.641 13.066 ( -16.469 -2.886 0.389) 16.724 13.271 ( -1.470 2.122 -2.405) 3.528 13.330 ( 0.839 -0.632 -0.483) 1.156 13.874 ( -15.766 -0.050 -0.582) 15.777 13.879 ( -16.657 -0.282 0.226) 16.661 14.806 ( -12.497 0.677 0.488) 12.525 14.835 ( -12.731 -0.583 -0.521) 12.755 16.600 ( 32.656 0.611 -3.337) 32.832 16.639 ( 31.500 -1.076 -0.985) 31.534 18.537 ( -11.340 0.315 -0.747) 11.369 18.559 ( -8.685 -0.624 -0.093) 8.708 18.835 ( 23.110 1.542 0.373) 23.164 18.900 ( 25.024 -1.251 -3.979) 25.369 21.297 ( -17.556 0.113 0.542) 17.565 21.305 ( -17.454 -0.187 -0.723) 17.470 22.460 ( 6.134 2.335 -0.589) 6.590 22.509 ( 5.413 0.724 0.079) 5.462 23.022 ( 4.190 -0.396 4.375) 6.071 23.076 ( 2.523 -2.348 0.477) 3.479 27.501 ( 1.488 0.217 -0.112) 1.508 27.510 ( 1.502 -0.190 -0.162) 1.523 27.920 ( -7.919 0.144 0.700) 7.951 27.926 ( -7.970 -0.093 -0.099) 7.971 29.350 ( 15.320 0.321 -2.535) 15.531 29.365 ( 15.857 -0.191 -2.738) 16.093 29.674 ( 24.673 2.489 2.593) 24.933 29.793 ( 25.380 -2.488 -6.267) 26.261 30.022 ( 7.301 0.028 1.797) 7.519 30.036 ( 5.748 -0.337 -0.781) 5.811 30.499 ( 11.101 0.520 2.390) 11.368 30.518 ( 11.060 -0.275 -1.985) 11.240 31.264 ( -2.943 1.893 6.895) 7.732 31.350 ( -6.393 -0.669 -1.600) 6.624 31.690 ( -10.403 -3.636 0.429) 11.028 31.808 ( -15.001 -6.208 0.835) 16.256 32.191 ( -9.396 8.345 1.096) 12.614 32.371 ( -14.000 5.650 -2.325) 15.275 32.505 ( -11.455 -3.846 1.894) 12.231 32.577 ( -13.664 -1.516 -1.603) 13.841 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 7.771 2.088 -2.934) 8.565 2.100 ( -0.885 -0.200 -1.533) 1.782 2.211 ( 6.450 -5.244 -3.579) 9.050 2.306 ( 5.566 -4.654 2.456) 7.660 2.446 ( 1.275 3.760 1.855) 4.382 2.497 ( -2.173 3.207 -3.615) 5.298 2.593 ( 3.038 0.259 -1.602) 3.444 2.604 ( -2.575 -2.887 3.183) 5.010 2.767 ( 2.658 -6.979 0.662) 7.498 2.838 ( 2.638 -4.156 -7.211) 8.731 2.884 ( -0.666 5.358 -0.341) 5.410 3.049 ( 0.732 2.279 -3.317) 4.090 3.228 ( 4.074 1.080 1.037) 4.340 3.357 ( 3.889 1.148 -1.420) 4.296 3.505 ( -1.744 -0.129 0.092) 1.751 3.589 ( 0.728 -0.098 -3.298) 3.379 3.638 ( 0.107 3.201 -1.151) 3.404 3.741 ( -1.326 2.775 1.060) 3.253 3.796 ( 0.217 -1.721 5.456) 5.725 3.828 ( -2.103 -2.568 2.167) 3.964 3.950 ( -2.653 1.619 2.611) 4.059 3.982 ( -0.004 0.709 -3.602) 3.671 4.249 ( 5.227 2.488 -0.706) 5.831 4.332 ( -4.706 -0.369 2.565) 5.372 4.770 ( -1.971 2.566 0.727) 3.316 4.874 ( 3.628 -1.924 -5.791) 7.099 4.923 ( 0.577 0.806 2.436) 2.630 4.955 ( -3.923 -0.042 1.725) 4.286 5.136 ( 4.915 5.992 7.865) 11.041 5.452 ( 5.659 -0.807 8.255) 10.041 5.583 ( -4.574 -0.658 -2.326) 5.173 5.679 ( 0.995 -3.216 -4.240) 5.414 5.718 ( -4.363 0.604 0.076) 4.406 5.795 ( -2.763 -6.028 0.135) 6.632 5.918 ( 0.911 -4.379 2.296) 5.027 5.952 ( 3.808 -6.702 -0.748) 7.745 6.187 ( 0.700 5.346 -0.856) 5.459 6.305 ( -4.547 8.022 -2.458) 9.543 6.601 ( 2.026 -7.432 3.298) 8.380 6.712 ( 1.636 -7.566 0.781) 7.780 6.863 ( 10.745 0.880 2.593) 11.088 6.977 ( 6.442 -2.471 -0.336) 6.908 7.211 ( 4.080 6.357 -0.258) 7.558 7.325 ( -2.957 2.310 -1.749) 4.140 7.454 ( 12.060 5.297 -2.586) 13.424 7.501 ( 10.887 3.691 -4.267) 12.262 8.144 ( -8.022 0.676 0.437) 8.063 8.222 ( -6.222 -1.919 2.514) 6.979 8.606 ( 14.498 0.851 2.047) 14.666 8.627 ( 13.818 0.108 -0.433) 13.826 8.895 ( 9.320 1.810 -5.616) 11.031 8.975 ( 5.521 -1.287 -5.393) 7.824 9.623 ( 4.086 -0.271 0.598) 4.138 9.668 ( 4.965 -1.300 -2.147) 5.564 9.816 ( -1.666 -0.836 0.171) 1.872 9.834 ( -1.540 -0.838 0.244) 1.770 10.314 ( 22.545 0.358 -0.943) 22.568 10.322 ( 22.598 0.254 -0.695) 22.610 10.715 ( 9.130 1.273 5.535) 10.752 10.819 ( 8.695 -3.188 2.563) 9.609 11.634 ( -10.638 0.181 -0.753) 10.666 11.652 ( -8.701 -0.424 1.387) 8.821 11.789 ( -14.250 1.630 5.946) 15.526 11.880 ( -12.281 -2.371 6.957) 14.313 11.918 ( -0.607 3.989 -0.676) 4.091 12.093 ( -0.153 -3.482 -2.352) 4.204 12.278 ( -8.062 0.652 -3.750) 8.915 12.299 ( -8.488 -0.373 -2.814) 8.950 12.626 ( -15.641 1.910 -0.625) 15.770 12.692 ( -18.224 -1.019 1.295) 18.298 12.962 ( -22.165 1.189 -3.155) 22.420 13.019 ( -23.361 -1.228 -0.185) 23.394 13.921 ( 13.457 0.300 -0.568) 13.472 13.932 ( 13.838 -0.158 -0.818) 13.863 14.532 ( -14.127 0.497 0.516) 14.145 14.554 ( -14.539 -0.434 -0.020) 14.546 17.221 ( 27.549 0.179 -3.347) 27.752 17.235 ( 26.290 -0.411 -1.235) 26.322 18.155 ( -19.884 0.107 -0.835) 19.902 18.161 ( -21.037 -0.130 0.099) 21.038 19.547 ( 35.964 0.903 0.711) 35.982 19.585 ( 34.930 -0.745 -2.760) 35.047 20.849 ( -25.861 0.350 0.943) 25.881 20.863 ( -25.411 -0.232 -0.823) 25.426 22.624 ( 9.583 1.361 0.121) 9.680 22.660 ( 9.103 -0.125 -0.286) 9.109 23.007 ( -5.069 -0.239 2.705) 5.751 23.029 ( -6.392 -1.107 0.405) 6.500 27.548 ( 3.198 0.207 -0.072) 3.206 27.557 ( 3.161 -0.189 -0.166) 3.171 27.765 ( -6.986 0.063 0.405) 6.998 27.768 ( -7.190 -0.038 -0.166) 7.192 29.626 ( 10.876 0.293 -2.296) 11.120 29.638 ( 10.240 -0.208 -2.084) 10.452 30.006 ( 5.332 1.269 1.462) 5.673 30.063 ( 1.396 -1.166 -0.938) 2.046 30.268 ( 17.511 0.453 2.453) 17.688 30.295 ( 19.330 -0.692 -3.681) 19.690 30.697 ( 6.022 0.828 1.648) 6.299 30.730 ( 7.412 -0.585 -1.229) 7.536 31.199 ( -2.927 0.459 5.132) 5.926 31.215 ( -5.004 0.135 -1.172) 5.141 31.475 ( -10.520 -1.891 0.298) 10.693 31.502 ( -13.174 -1.899 0.821) 13.336 32.075 ( -1.656 3.203 0.545) 3.647 32.162 ( -5.459 1.547 -1.608) 5.897 32.288 ( -9.564 -1.148 -0.592) 9.651 32.328 ( -10.356 -0.564 0.122) 10.372 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -4.533 -0.187 4.414) 6.330 2.086 ( 2.924 -0.066 -1.408) 3.246 2.318 ( -5.617 2.040 2.268) 6.392 2.392 ( 1.191 -1.088 -3.202) 3.585 2.444 ( 4.859 -1.200 3.768) 6.265 2.486 ( 2.189 -0.065 1.047) 2.427 2.555 ( -1.062 0.195 2.060) 2.326 2.626 ( -1.248 -2.096 -5.889) 6.374 2.757 ( -5.082 -0.363 -0.695) 5.143 2.795 ( 1.280 -0.283 -3.933) 4.146 2.946 ( -9.984 -5.829 -1.552) 11.665 2.989 ( 7.684 -5.594 -4.169) 10.378 3.335 ( 4.155 -0.479 2.364) 4.804 3.361 ( -3.735 -0.959 -0.404) 3.878 3.485 ( 1.472 2.675 3.314) 4.507 3.559 ( -3.672 1.104 -4.053) 5.579 3.663 ( -0.694 6.532 2.736) 7.116 3.698 ( 1.566 6.437 -0.134) 6.626 3.805 ( 1.516 -0.627 1.758) 2.405 3.847 ( 2.202 0.273 -2.874) 3.631 3.910 ( -1.765 3.269 5.028) 6.252 3.978 ( -2.328 1.149 -0.397) 2.627 4.282 ( 1.583 0.670 2.926) 3.394 4.318 ( 2.158 -1.054 -0.724) 2.508 4.749 ( -1.262 4.511 6.249) 7.809 4.852 ( -3.491 0.374 -4.181) 5.460 4.953 ( 3.498 1.495 -4.726) 6.067 4.986 ( 5.248 1.470 -8.102) 9.765 5.303 ( 9.103 -1.480 7.998) 12.207 5.432 ( -8.280 -0.391 -5.333) 9.857 5.544 ( 3.277 -7.870 6.574) 10.765 5.616 ( -4.072 -2.510 -1.363) 4.974 5.711 ( -3.655 -1.957 0.558) 4.183 5.759 ( 4.729 -5.155 -3.750) 7.937 5.946 ( 1.002 -4.249 3.210) 5.418 6.014 ( 1.846 -6.528 -3.270) 7.531 6.169 ( -1.271 8.711 2.281) 9.094 6.232 ( -1.647 9.479 -3.931) 10.393 6.656 ( 2.715 -8.519 3.128) 9.472 6.697 ( -1.554 -9.038 -1.425) 9.280 7.031 ( 1.477 0.817 6.554) 6.768 7.068 ( -1.045 -0.863 3.961) 4.186 7.212 ( 0.120 7.403 -1.875) 7.638 7.219 ( -2.890 8.752 -3.412) 9.828 7.628 ( 0.730 -0.954 1.516) 1.934 7.651 ( -2.915 -0.470 -1.039) 3.130 8.063 ( 0.428 2.086 0.514) 2.191 8.073 ( -1.897 1.961 -0.370) 2.753 8.778 ( 1.042 1.148 0.266) 1.573 8.803 ( 3.017 0.284 -2.127) 3.703 9.007 ( -0.461 0.153 -3.906) 3.936 9.013 ( -1.842 0.154 -4.270) 4.653 9.675 ( 0.271 -0.233 2.587) 2.612 9.699 ( -1.839 -1.135 0.239) 2.174 9.794 ( -1.023 -0.997 0.562) 1.535 9.808 ( 0.430 -1.288 -0.800) 1.576 10.792 ( -4.171 -0.986 1.379) 4.502 10.810 ( 0.231 -1.862 -0.341) 1.907 10.857 ( -0.385 0.165 0.092) 0.429 10.863 ( 6.809 0.073 -0.469) 6.826 11.180 ( 0.995 1.134 2.577) 2.986 11.200 ( -1.247 0.239 0.628) 1.416 11.714 ( 2.587 -0.692 4.809) 5.504 11.723 ( -2.178 -0.909 3.899) 4.557 12.116 ( 7.939 1.807 1.056) 8.210 12.140 ( -6.680 1.559 -1.246) 6.972 12.296 ( -2.979 -2.279 -0.332) 3.765 12.306 ( -0.353 -2.021 -1.351) 2.456 12.403 ( -1.663 1.883 0.962) 2.690 12.421 ( 3.549 1.592 -0.748) 3.961 12.656 ( -4.839 0.336 -0.656) 4.895 12.696 ( 4.159 -1.242 -4.223) 6.056 14.194 ( -4.861 0.181 0.340) 4.876 14.198 ( -0.190 0.023 -0.029) 0.193 14.275 ( 0.091 0.055 -0.393) 0.407 14.277 ( 4.757 -0.025 -0.559) 4.790 17.680 ( -5.848 0.267 -0.581) 5.883 17.694 ( -1.028 -0.329 -2.055) 2.321 17.757 ( 4.609 0.223 -0.441) 4.635 17.771 ( 2.141 -0.372 -1.897) 2.885 20.216 ( -2.991 0.755 1.437) 3.403 20.246 ( -4.091 -0.520 -1.612) 4.428 20.281 ( 2.535 0.486 0.990) 2.765 20.299 ( 3.781 -0.259 -0.804) 3.874 22.813 ( 1.574 0.397 1.668) 2.328 22.835 ( -5.804 -0.653 -0.472) 5.860 22.871 ( -0.961 0.086 0.417) 1.051 22.875 ( 5.434 -0.135 0.208) 5.440 27.632 ( 2.505 0.094 -0.029) 2.507 27.633 ( -2.259 0.040 -0.127) 2.263 27.643 ( -2.376 0.047 0.292) 2.394 27.648 ( 2.115 -0.151 -0.224) 2.132 29.740 ( -1.285 0.148 -0.620) 1.435 29.747 ( -0.319 -0.177 -1.398) 1.445 30.048 ( 0.989 0.210 0.665) 1.210 30.059 ( -0.292 -0.254 -0.447) 0.591 30.561 ( 0.638 0.910 1.343) 1.743 30.601 ( 4.200 -0.895 -2.598) 5.019 30.670 ( -0.880 1.153 1.393) 2.011 30.711 ( -3.692 -0.685 -2.699) 4.624 31.227 ( 0.165 0.210 3.580) 3.590 31.251 ( 5.434 -0.919 1.171) 5.634 31.278 ( -0.397 0.291 1.448) 1.529 31.308 ( -4.471 -1.151 -1.305) 4.798 32.115 ( -1.700 -0.581 -0.481) 1.860 32.115 ( 1.358 -0.582 -0.527) 1.569 32.169 ( 1.963 1.369 -0.116) 2.396 32.176 ( -1.199 0.979 -0.930) 1.806 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -6.463 3.694 4.144) 8.520 2.014 ( -11.091 6.985 1.310) 13.173 2.219 ( 1.997 -10.038 1.385) 10.328 2.340 ( -9.561 -6.501 -1.429) 11.650 2.431 ( -3.703 2.792 0.960) 4.736 2.487 ( -3.560 -0.696 -1.128) 3.798 2.578 ( 1.389 -0.179 1.016) 1.730 2.645 ( 2.829 -2.415 -0.201) 3.725 2.712 ( -0.408 -1.027 5.011) 5.131 2.738 ( -2.589 -4.821 1.104) 5.582 2.888 ( 4.661 4.868 -2.742) 7.276 3.050 ( -6.046 5.750 -2.756) 8.787 3.236 ( -3.554 -1.012 0.921) 3.809 3.335 ( -5.379 0.902 1.263) 5.598 3.502 ( -3.457 -2.123 3.241) 5.192 3.552 ( 4.694 -1.004 -0.848) 4.874 3.611 ( -0.330 2.208 2.169) 3.113 3.729 ( -4.723 -2.834 3.118) 6.330 3.828 ( 3.664 5.692 1.167) 6.870 3.907 ( 2.853 1.953 0.056) 3.458 3.929 ( 4.226 1.380 -4.455) 6.294 3.998 ( 4.657 1.690 -2.917) 5.749 4.254 ( -6.276 0.761 -0.967) 6.395 4.366 ( 1.851 -1.665 -1.172) 2.752 4.708 ( -0.897 -0.480 5.301) 5.398 4.846 ( 2.297 -1.597 -2.999) 4.102 5.022 ( -0.171 2.289 -6.823) 7.199 5.082 ( 5.681 1.533 -9.712) 11.356 5.268 ( -4.551 5.137 -5.487) 8.787 5.496 ( 6.838 -1.731 6.046) 9.291 5.535 ( -3.154 0.146 0.313) 3.173 5.583 ( -1.063 -8.461 4.745) 9.758 5.704 ( 3.689 0.501 0.196) 3.728 5.851 ( 3.302 -3.321 -2.361) 5.244 5.930 ( -2.568 -7.320 -0.778) 7.796 6.011 ( -1.370 -3.994 -6.300) 7.584 6.145 ( -3.224 8.743 3.889) 10.097 6.276 ( 6.369 4.850 0.161) 8.007 6.636 ( -4.574 -8.323 0.051) 9.497 6.700 ( 0.686 -8.412 1.479) 8.569 6.867 ( -15.253 2.437 3.690) 15.881 6.923 ( -8.286 -1.911 3.716) 9.280 7.208 ( -1.649 8.765 0.394) 8.928 7.297 ( 3.899 4.884 1.932) 6.542 7.430 ( -14.890 1.918 0.988) 15.046 7.446 ( -11.963 0.171 -0.570) 11.977 8.102 ( 5.323 2.785 3.622) 7.015 8.212 ( 7.124 -1.048 2.691) 7.687 8.652 ( -12.924 1.609 -2.749) 13.311 8.701 ( -12.633 -0.537 -6.950) 14.429 8.874 ( -9.316 1.314 -3.115) 9.910 8.938 ( -4.776 -0.427 -1.506) 5.026 9.592 ( -7.471 -0.539 4.757) 8.873 9.605 ( -6.918 -1.576 2.777) 7.619 9.822 ( 2.843 -0.636 -0.294) 2.928 9.839 ( 2.161 -0.685 -0.128) 2.271 10.299 ( -23.294 0.564 0.593) 23.308 10.314 ( -22.248 -0.084 0.448) 22.253 10.797 ( -8.750 -0.182 -2.730) 9.167 10.839 ( -7.014 -2.049 0.164) 7.309 11.603 ( 9.738 0.937 2.204) 10.028 11.659 ( 10.054 -1.223 0.776) 10.158 11.805 ( 15.849 1.781 4.346) 16.530 11.898 ( 14.243 -1.341 1.454) 14.380 11.984 ( -2.318 1.359 -3.571) 4.469 12.100 ( -4.753 -2.162 -2.549) 5.811 12.226 ( 10.154 0.720 1.506) 10.290 12.244 ( 10.437 -0.254 2.227) 10.675 12.622 ( 15.936 2.550 -0.098) 16.139 12.726 ( 18.054 -1.891 -2.079) 18.272 12.922 ( 21.951 2.407 0.593) 22.091 13.033 ( 22.659 -2.324 -1.724) 22.843 13.912 ( -13.110 0.161 0.368) 13.116 13.916 ( -13.729 -0.030 0.741) 13.749 14.549 ( 14.255 0.284 -1.157) 14.305 14.558 ( 14.088 -0.107 -0.326) 14.092 17.191 ( -27.503 0.925 -0.231) 27.520 17.243 ( -25.748 -1.344 -2.290) 25.885 18.153 ( 19.829 0.463 -0.617) 19.844 18.176 ( 20.447 -0.495 -1.401) 20.501 19.538 ( -35.833 0.820 2.076) 35.902 19.564 ( -35.968 -0.322 -1.098) 35.987 20.846 ( 25.448 0.497 0.921) 25.470 20.867 ( 25.444 -0.368 -0.803) 25.459 22.622 ( -10.215 0.374 0.247) 10.225 22.646 ( -8.962 -0.141 1.085) 9.028 23.018 ( 5.884 0.176 1.260) 6.020 23.044 ( 6.292 -0.751 -0.666) 6.372 27.548 ( -3.241 0.148 -0.140) 3.248 27.555 ( -3.125 -0.132 0.049) 3.128 27.763 ( 7.098 0.198 0.325) 7.108 27.772 ( 7.153 -0.175 -0.242) 7.159 29.598 ( -11.281 0.306 0.440) 11.293 29.615 ( -11.209 -0.398 0.258) 11.219 30.037 ( -4.097 -0.152 -1.547) 4.382 30.040 ( -3.812 -0.184 1.245) 4.015 30.258 ( -18.934 2.089 0.296) 19.051 30.340 ( -17.512 -1.511 -5.186) 18.326 30.707 ( -5.578 0.336 1.184) 5.712 30.727 ( -4.755 -0.514 -1.325) 4.963 31.172 ( 2.890 2.624 3.322) 5.126 31.281 ( 4.704 -1.736 -3.073) 5.881 31.452 ( 10.578 -1.186 2.352) 10.901 31.490 ( 12.515 -2.499 2.131) 12.939 32.092 ( 2.575 1.933 -0.757) 3.308 32.140 ( 4.140 2.112 0.152) 4.650 32.275 ( 8.607 0.656 0.281) 8.637 32.361 ( 12.466 -1.808 -2.616) 12.866 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -10.594 4.671 8.747) 14.511 1.811 ( 0.275 5.361 0.994) 5.460 2.190 ( -2.365 -6.700 0.682) 7.137 2.260 ( -3.453 -1.439 -3.271) 4.969 2.280 ( -7.323 -1.889 6.823) 10.186 2.433 ( -0.510 1.089 3.293) 3.506 2.574 ( -0.924 -1.555 2.693) 3.244 2.634 ( -4.945 -1.928 -2.665) 5.939 2.657 ( -2.469 -0.368 -1.290) 2.810 2.803 ( 1.258 -6.922 0.902) 7.093 2.853 ( -5.895 9.879 0.599) 11.520 2.996 ( 5.065 6.213 -1.019) 8.081 3.221 ( -0.179 -4.776 -2.468) 5.379 3.276 ( -3.311 -2.977 3.452) 5.634 3.317 ( -5.935 4.258 3.631) 8.157 3.534 ( -7.975 2.366 -0.936) 8.371 3.654 ( 1.188 -0.520 2.183) 2.539 3.700 ( 2.587 -6.167 -1.323) 6.818 3.854 ( -1.938 3.918 -2.141) 4.867 3.961 ( 1.402 2.264 1.498) 3.056 3.988 ( 0.917 -0.301 -4.487) 4.590 4.100 ( -5.848 0.813 0.358) 5.915 4.134 ( 6.876 -2.310 -5.367) 9.023 4.319 ( -7.749 -1.988 1.014) 8.064 4.709 ( -2.337 -3.670 1.456) 4.588 4.816 ( -9.294 -5.181 -3.677) 11.258 5.018 ( -0.779 5.249 -4.943) 7.252 5.095 ( 1.864 1.448 -3.601) 4.306 5.272 ( -1.329 10.085 -6.589) 12.119 5.400 ( -6.053 4.673 -1.770) 7.849 5.566 ( -0.065 -5.950 1.914) 6.250 5.639 ( 4.532 1.363 4.858) 6.782 5.767 ( 1.123 -0.086 1.629) 1.981 5.841 ( -2.652 -4.728 2.500) 5.970 5.925 ( 0.630 -5.426 -4.708) 7.212 5.941 ( -7.564 -3.927 -1.563) 8.665 6.001 ( -5.167 4.310 0.657) 6.761 6.383 ( -8.079 -12.037 0.641) 14.512 6.502 ( -0.459 4.599 0.623) 4.664 6.582 ( -8.304 3.213 1.475) 9.026 6.668 ( -3.107 -3.025 5.571) 7.060 6.834 ( -2.702 -3.089 3.647) 5.490 6.985 ( -14.687 6.479 -3.696) 16.473 7.095 ( -9.390 3.614 5.356) 11.398 7.365 ( 2.485 1.957 -1.762) 3.621 7.454 ( 6.802 0.389 2.219) 7.166 8.146 ( -4.217 3.185 6.335) 8.249 8.249 ( -10.399 -0.391 4.789) 11.456 8.370 ( -5.305 0.119 -6.593) 8.464 8.449 ( -6.855 -2.359 -5.963) 9.387 8.707 ( -5.869 3.367 -2.412) 7.184 8.813 ( -6.877 -0.475 -4.529) 8.248 9.407 ( -10.100 0.075 6.480) 12.000 9.440 ( -8.771 -2.682 4.405) 10.175 9.853 ( -1.617 -0.252 -0.583) 1.737 9.855 ( -0.850 -0.235 -0.707) 1.131 10.011 ( -4.075 0.977 0.688) 4.246 10.042 ( -4.897 -0.229 1.597) 5.155 10.622 ( -6.896 0.368 -2.144) 7.231 10.675 ( -7.360 -2.020 -0.588) 7.655 11.501 ( -10.077 0.061 2.342) 10.345 11.528 ( -11.102 -0.978 0.678) 11.166 11.884 ( -2.352 2.993 -5.130) 6.388 11.975 ( -3.756 -0.903 -6.375) 7.454 12.232 ( 19.058 1.149 8.048) 20.719 12.341 ( 18.399 -3.500 2.765) 18.932 12.762 ( 30.718 0.039 -0.117) 30.719 12.765 ( 30.678 -0.045 0.011) 30.678 12.945 ( 14.402 3.356 -0.479) 14.795 13.086 ( 15.120 -2.964 -1.660) 15.497 13.236 ( 2.915 2.540 1.120) 4.026 13.330 ( -0.083 -1.584 -0.656) 1.716 13.865 ( 15.067 0.240 0.255) 15.071 13.884 ( 17.859 -0.554 -0.270) 17.870 14.823 ( 12.451 0.247 -1.332) 12.525 14.830 ( 12.335 -0.045 0.110) 12.335 16.575 ( -31.969 1.334 -0.664) 32.003 16.658 ( -31.025 -2.265 -3.162) 31.267 18.522 ( 7.877 0.567 0.775) 7.935 18.552 ( 6.767 -0.819 0.594) 6.842 18.845 ( -22.242 0.837 1.659) 22.319 18.860 ( -21.946 0.072 -2.271) 22.063 21.290 ( 17.492 0.411 0.765) 17.514 21.310 ( 17.522 -0.413 -0.569) 17.536 22.444 ( -6.850 1.406 0.980) 7.061 22.495 ( -5.417 0.346 1.314) 5.585 23.050 ( -3.572 -0.483 1.917) 4.082 23.089 ( -2.654 -1.404 -1.174) 3.223 27.501 ( -1.479 0.175 -0.137) 1.496 27.508 ( -1.489 -0.154 0.005) 1.497 27.920 ( 7.966 0.255 0.502) 7.986 27.931 ( 8.108 -0.200 -0.356) 8.118 29.315 ( -15.730 0.246 0.825) 15.754 29.331 ( -15.762 -0.467 0.678) 15.784 29.703 ( -25.497 1.076 3.171) 25.715 29.748 ( -23.930 -0.876 -4.976) 24.457 30.019 ( -6.768 1.355 0.249) 6.907 30.078 ( -7.582 -1.179 -3.413) 8.398 30.502 ( -11.821 1.090 -0.175) 11.873 30.554 ( -9.948 -1.159 -3.094) 10.483 31.282 ( 5.490 3.593 5.242) 8.399 31.383 ( 4.254 0.041 -5.264) 6.768 31.674 ( 10.704 -3.924 1.956) 11.568 31.777 ( 14.275 -8.645 4.168) 17.201 32.225 ( 10.023 5.654 -2.250) 11.726 32.325 ( 13.596 6.814 2.504) 15.412 32.477 ( 10.504 0.027 1.641) 10.631 32.646 ( 15.146 -3.482 -5.612) 16.523 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -2.279 6.732 14.925) 16.531 1.843 ( -5.616 5.455 1.806) 8.035 2.078 ( 2.153 3.284 9.156) 9.962 2.191 ( -3.272 -1.348 -5.844) 6.832 2.265 ( 0.028 -3.321 3.699) 4.971 2.412 ( -3.886 5.315 3.005) 7.237 2.502 ( -1.890 -8.680 -0.163) 8.884 2.532 ( -4.290 1.943 -3.447) 5.837 2.637 ( 1.021 -4.896 1.709) 5.285 2.728 ( -2.707 -5.466 -5.980) 8.542 2.899 ( 3.815 -0.392 1.576) 4.147 3.038 ( -7.584 -4.061 1.521) 8.736 3.069 ( -1.532 9.338 0.275) 9.467 3.302 ( -1.031 0.177 3.747) 3.890 3.311 ( -1.029 -1.405 -1.430) 2.253 3.383 ( -4.369 1.645 -4.612) 6.562 3.606 ( -7.285 2.435 2.066) 7.955 3.681 ( -2.645 2.025 -1.747) 3.761 3.785 ( -7.488 -1.473 -0.169) 7.633 3.883 ( -10.098 0.336 -1.390) 10.199 3.956 ( -4.022 -2.452 1.685) 5.003 4.030 ( -7.453 -2.404 -0.693) 7.862 4.079 ( -8.925 -0.927 -0.685) 8.999 4.160 ( -5.514 -4.185 -6.011) 9.167 4.503 ( -9.831 -0.674 -1.758) 10.009 4.545 ( -11.049 -2.635 -4.379) 12.174 4.974 ( -2.097 6.318 -0.921) 6.720 5.141 ( -8.054 5.631 0.653) 9.849 5.199 ( 4.423 0.928 1.726) 4.838 5.359 ( 2.142 2.261 -0.684) 3.188 5.586 ( 1.501 -1.160 -0.317) 1.924 5.655 ( -2.527 3.099 1.362) 4.225 5.763 ( -2.491 -1.740 2.158) 3.727 5.800 ( 0.445 -3.165 3.979) 5.103 5.838 ( -2.429 -1.787 2.291) 3.787 5.874 ( -5.713 -3.698 -4.758) 8.304 5.993 ( 2.931 -3.279 -3.817) 5.823 6.057 ( -14.451 -4.346 -2.491) 15.295 6.389 ( -7.594 1.990 -0.545) 7.870 6.532 ( -7.028 -2.085 0.018) 7.330 6.668 ( -0.173 10.321 1.535) 10.436 6.741 ( 4.554 2.439 2.780) 5.867 6.957 ( 7.508 -0.945 2.390) 7.935 7.035 ( 1.495 -1.055 7.143) 7.373 7.463 ( 6.298 -2.344 -0.906) 6.781 7.602 ( 7.269 -1.863 1.400) 7.633 8.001 ( -7.559 2.316 1.843) 8.117 8.022 ( -6.361 2.618 1.106) 6.967 8.279 ( -6.348 -0.332 -5.891) 8.666 8.336 ( -8.132 -1.959 -0.773) 8.401 8.642 ( -1.043 2.187 -0.869) 2.574 8.709 ( -1.919 -0.966 -6.774) 7.106 9.219 ( -7.574 1.510 6.751) 10.258 9.287 ( -5.577 -1.863 3.702) 6.948 9.821 ( 0.709 0.856 1.467) 1.840 9.861 ( 0.712 -0.736 1.997) 2.244 9.975 ( -3.279 0.317 0.864) 3.406 9.993 ( -1.069 -0.467 1.177) 1.657 10.540 ( -0.957 0.602 -2.444) 2.693 10.580 ( -1.578 -1.177 -1.898) 2.734 11.330 ( -5.594 -0.472 2.595) 6.185 11.335 ( -6.430 -0.650 0.922) 6.528 11.840 ( -2.117 2.107 -4.100) 5.073 11.893 ( -4.101 0.005 -6.442) 7.636 12.592 ( 14.638 0.358 7.104) 16.275 12.660 ( 11.518 -2.375 1.524) 11.859 12.885 ( -13.657 0.842 1.195) 13.735 12.939 ( -12.770 -2.129 0.876) 12.976 13.287 ( 17.079 4.280 -1.033) 17.638 13.444 ( 24.422 -2.512 -1.865) 24.621 13.503 ( 23.943 1.272 -0.366) 23.980 13.561 ( 20.160 -1.362 -2.058) 20.310 14.339 ( 24.545 0.644 0.456) 24.557 14.388 ( 24.990 -1.492 -0.816) 25.048 15.056 ( 10.094 0.199 -1.161) 10.162 15.060 ( 9.812 -0.005 0.362) 9.819 15.917 ( -30.250 1.014 -1.006) 30.283 15.989 ( -32.647 -2.133 -2.739) 32.831 18.008 ( -33.542 0.338 -0.158) 33.544 18.024 ( -32.362 -0.021 2.189) 32.436 19.115 ( 25.118 1.084 0.527) 25.147 19.161 ( 25.988 -0.883 -0.686) 26.012 21.562 ( 9.027 0.241 0.507) 9.044 21.583 ( 9.118 -0.542 -0.584) 9.153 22.344 ( -3.146 3.148 1.677) 4.756 22.425 ( -1.901 2.127 1.475) 3.212 22.859 ( -14.715 -1.859 2.582) 15.055 22.921 ( -13.312 -2.819 -2.097) 13.767 27.484 ( -0.277 0.157 -0.132) 0.344 27.490 ( -0.405 -0.107 0.012) 0.419 28.080 ( 7.309 0.306 0.469) 7.330 28.093 ( 7.313 -0.220 -0.460) 7.331 28.946 ( -21.735 0.086 1.707) 21.802 28.962 ( -21.707 -0.697 -1.904) 21.802 29.185 ( -21.386 1.189 2.231) 21.535 29.221 ( -22.911 -0.434 -2.677) 23.070 29.871 ( -7.607 1.705 2.354) 8.143 29.932 ( -6.767 -1.012 -3.506) 7.688 30.274 ( -9.652 1.596 -0.418) 9.792 30.356 ( -8.659 -1.856 -5.180) 10.260 31.374 ( 3.167 4.244 6.160) 8.124 31.453 ( 3.012 1.667 -6.302) 7.181 31.885 ( 9.532 -7.120 2.070) 12.076 32.026 ( 9.130 -15.031 4.257) 18.094 32.464 ( 11.996 8.895 -0.663) 14.949 32.640 ( 11.723 12.699 -2.409) 17.450 32.728 ( 17.574 -2.050 6.831) 18.966 32.970 ( 16.364 -3.556 -7.507) 18.352 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -10.077 4.235 17.360) 20.515 1.730 ( 3.027 4.602 2.367) 5.995 2.004 ( -9.516 -1.835 9.378) 13.486 2.157 ( -6.546 1.670 0.957) 6.823 2.298 ( -3.828 3.872 0.173) 5.447 2.365 ( 10.223 1.385 -3.041) 10.755 2.492 ( -4.291 1.895 -0.478) 4.715 2.545 ( 1.465 -1.930 1.836) 3.040 2.603 ( -1.970 -9.883 -6.026) 11.741 2.714 ( -0.873 -3.000 9.599) 10.094 2.878 ( -0.847 -3.534 -8.466) 9.213 2.933 ( -10.721 6.757 5.856) 13.960 2.999 ( 0.504 -1.691 1.907) 2.599 3.113 ( -7.271 1.747 -4.097) 8.527 3.214 ( -10.382 -4.239 -5.810) 12.630 3.277 ( -11.153 -1.550 2.900) 11.627 3.408 ( -7.565 4.085 1.092) 8.667 3.525 ( -9.525 3.594 -8.043) 12.974 3.576 ( -5.699 4.725 -0.554) 7.424 3.681 ( -6.480 1.659 -1.305) 6.815 3.858 ( 1.419 -4.247 6.198) 7.646 3.938 ( 0.047 -0.757 -8.444) 8.478 4.016 ( 1.145 -6.814 2.072) 7.214 4.150 ( 2.313 -4.070 -2.955) 5.536 4.424 ( -1.610 -0.620 0.638) 1.839 4.466 ( 1.396 -1.804 0.951) 2.472 4.909 ( -4.277 3.777 -2.111) 6.084 5.000 ( -5.356 2.292 -4.465) 7.340 5.238 ( 0.047 1.860 4.409) 4.786 5.399 ( -0.925 0.665 1.030) 1.536 5.589 ( -0.934 3.373 -1.730) 3.904 5.619 ( 0.120 0.659 0.079) 0.675 5.709 ( -1.352 -0.218 1.721) 2.199 5.750 ( -3.275 -0.624 -0.609) 3.389 5.772 ( -3.357 0.604 3.143) 4.638 5.829 ( -0.089 0.117 0.251) 0.291 5.940 ( 2.002 -1.002 1.275) 2.577 6.053 ( 1.768 -5.452 -3.876) 6.919 6.286 ( -2.839 -1.296 -2.372) 3.920 6.357 ( -7.208 -3.615 -0.154) 8.066 6.709 ( 2.969 10.297 0.412) 10.724 6.828 ( 1.119 9.349 -0.293) 9.421 7.090 ( 5.909 -2.924 6.356) 9.158 7.177 ( 8.368 -7.550 1.910) 11.431 7.602 ( 6.885 -3.466 3.286) 8.379 7.725 ( 3.624 -3.193 2.146) 5.285 7.898 ( -3.101 0.993 1.324) 3.515 7.951 ( -2.140 1.040 0.093) 2.381 8.138 ( -8.336 -0.468 -0.610) 8.371 8.148 ( -4.494 -0.433 -7.518) 8.769 8.633 ( -0.066 0.155 -0.986) 1.000 8.687 ( -1.266 -2.588 -4.001) 4.930 9.130 ( -1.187 5.186 6.398) 8.321 9.225 ( -0.647 2.091 0.969) 2.393 9.811 ( -4.300 0.591 4.750) 6.434 9.843 ( -2.418 -0.154 1.343) 2.771 9.920 ( 1.053 0.601 1.485) 1.917 10.013 ( 2.222 -2.557 -0.375) 3.408 10.550 ( 1.032 0.827 -2.132) 2.509 10.575 ( 0.126 -0.326 -2.220) 2.248 11.284 ( 0.980 -0.330 0.755) 1.280 11.290 ( 1.011 -0.500 1.482) 1.862 11.794 ( -1.852 1.322 -1.993) 3.025 11.814 ( -2.671 0.937 -4.472) 5.292 12.600 ( -11.546 0.388 0.773) 11.578 12.621 ( -11.401 -0.481 1.871) 11.564 12.812 ( 6.078 -0.354 5.644) 8.302 12.862 ( 4.136 -2.709 -1.523) 5.174 13.593 ( 12.558 3.763 -0.640) 13.126 13.814 ( 9.846 -6.048 -3.814) 12.168 13.926 ( 15.229 0.753 -0.269) 15.250 13.946 ( 14.406 0.288 -0.987) 14.443 14.745 ( 12.996 0.436 0.177) 13.004 14.789 ( 11.681 -1.620 -0.842) 11.822 15.184 ( -0.558 0.151 -0.041) 0.579 15.195 ( -0.128 -0.330 -0.491) 0.605 15.453 ( -10.744 0.691 0.008) 10.766 15.474 ( -8.840 0.252 -0.722) 8.873 17.407 ( -22.683 0.352 -0.696) 22.696 17.435 ( -23.362 -0.550 1.762) 23.435 19.651 ( 24.816 1.192 1.611) 24.897 19.711 ( 25.143 -1.393 -0.909) 25.198 21.666 ( 1.242 0.008 0.210) 1.260 21.684 ( 0.787 -0.723 -0.619) 1.235 22.284 ( -4.151 5.476 0.086) 6.872 22.356 ( -8.933 6.836 1.352) 11.329 22.548 ( -9.496 -5.282 3.178) 11.321 22.617 ( -12.191 -4.935 -1.930) 13.293 27.485 ( 0.312 0.110 -0.084) 0.341 27.488 ( 0.108 0.030 0.055) 0.125 28.207 ( 4.607 0.211 0.207) 4.616 28.215 ( 4.263 -0.149 -0.385) 4.283 28.461 ( -22.076 -0.000 -2.086) 22.174 28.465 ( -20.962 -0.130 1.394) 21.009 28.891 ( -8.519 0.609 0.914) 8.589 28.903 ( -9.280 0.049 0.978) 9.332 29.729 ( -5.718 2.509 4.742) 7.841 29.810 ( -4.518 -1.043 -3.935) 6.081 30.122 ( -4.989 1.508 -0.482) 5.234 30.208 ( -5.170 -2.117 -6.883) 8.865 31.417 ( 0.762 4.658 6.744) 8.231 31.504 ( 2.209 2.177 -6.266) 6.991 32.056 ( 6.574 -10.095 2.945) 12.402 32.155 ( 3.474 -16.403 2.469) 16.947 32.671 ( 7.481 9.156 1.866) 11.970 32.786 ( 3.949 7.579 -1.529) 8.681 33.130 ( 17.207 3.489 2.206) 17.696 33.273 ( 11.943 -1.458 -6.774) 13.808 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -2.201 -9.396 10.371) 14.166 1.561 ( -2.201 9.396 10.371) 14.166 2.061 ( -8.368 -6.088 14.224) 17.590 2.061 ( -8.368 6.088 14.224) 17.590 2.233 ( 7.504 -5.197 -8.651) 12.576 2.233 ( 7.504 5.197 -8.651) 12.576 2.483 ( 1.613 -2.974 -3.169) 4.636 2.483 ( 1.613 2.974 -3.169) 4.636 2.754 ( 1.077 -2.714 5.569) 6.288 2.754 ( 1.077 2.714 5.569) 6.288 2.831 ( -3.878 -2.862 -1.468) 5.039 2.831 ( -3.878 2.862 -1.468) 5.039 2.963 ( -4.387 -2.460 3.405) 6.074 2.963 ( -4.387 2.460 3.405) 6.074 3.146 ( 9.318 -3.221 -7.741) 12.535 3.146 ( 9.318 3.221 -7.741) 12.535 3.473 ( -0.295 -5.946 1.395) 6.115 3.473 ( -0.295 5.946 1.395) 6.115 3.582 ( 0.686 -7.277 -6.587) 9.839 3.582 ( 0.686 7.277 -6.587) 9.839 3.882 ( -1.195 -4.893 5.413) 7.394 3.882 ( -1.195 4.893 5.413) 7.394 4.038 ( 0.858 -5.508 -9.499) 11.014 4.038 ( 0.858 5.508 -9.499) 11.014 4.459 ( 1.215 -1.273 0.524) 1.836 4.459 ( 1.215 1.273 0.524) 1.836 4.866 ( -3.002 -1.245 -0.135) 3.253 4.866 ( -3.002 1.245 -0.135) 3.253 5.360 ( 1.030 -3.454 2.042) 4.143 5.360 ( 1.030 3.454 2.042) 4.143 5.604 ( -4.379 -3.478 4.403) 7.117 5.604 ( -4.379 3.478 4.403) 7.117 5.710 ( 2.495 -1.422 -2.651) 3.909 5.710 ( 2.495 1.422 -2.651) 3.909 5.825 ( 0.291 -3.585 3.051) 4.716 5.825 ( 0.291 3.585 3.051) 4.716 5.999 ( 2.238 -3.303 -4.635) 6.116 5.999 ( 2.238 3.303 -4.635) 6.116 6.223 ( -0.426 -1.255 -0.615) 1.461 6.223 ( -0.426 1.255 -0.615) 1.461 6.971 ( -1.255 -7.748 3.428) 8.565 6.971 ( -1.255 7.748 3.428) 8.565 7.066 ( 0.675 -9.239 -1.926) 9.461 7.066 ( 0.675 9.239 -1.926) 9.461 7.697 ( 1.601 -1.849 3.127) 3.970 7.697 ( 1.601 1.849 3.127) 3.970 7.877 ( -2.152 -2.617 3.672) 4.996 7.877 ( -2.152 2.617 3.672) 4.996 8.076 ( 0.345 -3.751 -5.120) 6.356 8.076 ( 0.345 3.751 -5.120) 6.356 8.615 ( -1.395 -0.740 0.050) 1.580 8.615 ( -1.395 0.740 0.050) 1.580 9.275 ( 2.329 -2.759 0.843) 3.708 9.275 ( 2.329 2.759 0.843) 3.708 9.779 ( 0.454 -1.019 1.552) 1.911 9.779 ( 0.454 1.019 1.552) 1.911 9.975 ( -0.504 -1.754 1.141) 2.152 9.975 ( -0.504 1.754 1.141) 2.152 10.563 ( -1.033 -0.493 -0.715) 1.350 10.563 ( -1.033 0.493 -0.715) 1.350 11.317 ( 0.749 -0.119 0.073) 0.762 11.317 ( 0.749 0.119 0.073) 0.762 11.791 ( -0.879 -0.820 -1.135) 1.653 11.791 ( -0.879 0.820 -1.135) 1.653 12.476 ( 0.452 -0.172 0.112) 0.496 12.476 ( 0.452 0.172 0.112) 0.496 12.884 ( 1.304 -1.833 -0.379) 2.281 12.884 ( 1.304 1.833 -0.379) 2.281 13.776 ( -0.775 -0.915 -0.689) 1.383 13.776 ( -0.775 0.915 -0.689) 1.383 14.099 ( -0.160 -0.117 0.046) 0.203 14.099 ( -0.160 0.117 0.046) 0.203 14.853 ( 0.218 -0.196 -0.363) 0.467 14.853 ( 0.218 0.196 -0.363) 0.467 15.154 ( -0.217 -0.230 -0.153) 0.351 15.154 ( -0.217 0.230 -0.153) 0.351 15.460 ( 0.147 -0.336 -0.075) 0.374 15.460 ( 0.147 0.336 -0.075) 0.374 17.162 ( 0.479 -0.938 -0.495) 1.164 17.162 ( 0.479 0.938 -0.495) 1.164 19.989 ( 0.259 -1.172 0.185) 1.215 19.989 ( 0.259 1.172 0.185) 1.215 21.652 ( -0.113 -0.127 -0.281) 0.329 21.652 ( -0.113 0.127 -0.281) 0.329 22.247 ( -0.899 -1.728 0.665) 2.058 22.247 ( -0.899 1.728 0.665) 2.058 22.470 ( 0.849 -1.944 0.629) 2.213 22.470 ( 0.849 1.944 0.629) 2.213 27.492 ( 0.016 -0.100 0.025) 0.104 27.492 ( 0.016 0.100 0.025) 0.104 28.221 ( 0.415 -0.127 -0.038) 0.435 28.221 ( 0.415 0.127 -0.038) 0.435 28.260 ( -0.124 -0.011 0.007) 0.125 28.260 ( -0.124 0.011 0.007) 0.125 28.813 ( 0.245 -0.201 0.664) 0.735 28.813 ( 0.245 0.201 0.664) 0.735 29.723 ( -0.130 -2.800 -0.615) 2.869 29.723 ( -0.130 2.800 -0.615) 2.869 30.105 ( -0.156 -2.272 -2.782) 3.595 30.105 ( -0.156 2.272 -2.782) 3.595 31.514 ( -0.916 -4.626 2.691) 5.430 31.514 ( -0.916 4.626 2.691) 5.430 32.017 ( 0.800 -2.900 0.782) 3.109 32.017 ( 0.800 2.900 0.782) 3.109 32.864 ( -0.049 -1.790 2.226) 2.857 32.864 ( -0.049 1.790 2.226) 2.857 33.379 ( -0.274 -1.948 -4.366) 4.788 33.379 ( -0.274 1.948 -4.366) 4.788 ======================= Grid point 177 (100/108) ======================= q-point: ( 0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 6.722 -9.644 11.227) 16.256 1.619 ( 6.722 9.644 11.227) 16.256 2.045 ( 4.659 -11.011 11.678) 16.714 2.045 ( 4.659 11.011 11.678) 16.714 2.415 ( 3.690 -5.195 -4.289) 7.681 2.415 ( 3.690 5.195 -4.289) 7.681 2.527 ( -0.607 -6.627 -6.023) 8.976 2.527 ( -0.607 6.627 -6.023) 8.976 2.643 ( -2.522 -4.111 -1.979) 5.213 2.643 ( -2.522 4.111 -1.979) 5.213 2.872 ( 5.919 -2.979 -1.795) 6.865 2.872 ( 5.919 2.979 -1.795) 6.865 3.030 ( 10.760 -2.557 4.803) 12.058 3.030 ( 10.760 2.557 4.803) 12.058 3.323 ( 7.219 -2.978 -3.390) 8.513 3.323 ( 7.219 2.978 -3.390) 8.513 3.523 ( 3.129 -2.033 0.347) 3.748 3.523 ( 3.129 2.033 0.347) 3.748 3.658 ( 8.037 -3.318 -5.692) 10.392 3.658 ( 8.037 3.318 -5.692) 10.392 3.827 ( -4.181 -6.437 3.323) 8.364 3.827 ( -4.181 6.437 3.323) 8.364 4.054 ( 2.033 -3.516 -6.837) 7.952 4.054 ( 2.033 3.516 -6.837) 7.952 4.471 ( 0.141 -1.197 -3.357) 3.566 4.471 ( 0.141 1.197 -3.357) 3.566 4.904 ( 7.014 -2.289 4.798) 8.801 4.904 ( 7.014 2.289 4.798) 8.801 5.379 ( 0.156 -6.015 -0.342) 6.027 5.379 ( 0.156 6.015 -0.342) 6.027 5.529 ( -1.520 -3.601 6.457) 7.548 5.529 ( -1.520 3.601 6.457) 7.548 5.721 ( -2.177 -1.474 2.700) 3.769 5.721 ( -2.177 1.474 2.700) 3.769 5.852 ( 2.303 -2.756 -2.388) 4.313 5.852 ( 2.303 2.756 -2.388) 4.313 6.018 ( -0.257 -4.697 -6.307) 7.869 6.018 ( -0.257 4.697 -6.307) 7.869 6.284 ( 6.334 -4.602 -0.202) 7.832 6.284 ( 6.334 4.602 -0.202) 7.832 6.892 ( -5.413 -9.971 4.764) 12.305 6.892 ( -5.413 9.971 4.764) 12.305 7.063 ( -1.439 -11.632 -2.058) 11.900 7.063 ( -1.439 11.632 -2.058) 11.900 7.649 ( -5.845 -5.726 0.391) 8.192 7.649 ( -5.845 5.726 0.391) 8.192 7.912 ( 5.114 -1.701 4.764) 7.194 7.912 ( 5.114 1.701 4.764) 7.194 8.116 ( 3.793 -5.794 -3.488) 7.754 8.116 ( 3.793 5.794 -3.488) 7.754 8.608 ( 0.956 -0.747 1.512) 1.938 8.608 ( 0.956 0.747 1.512) 1.938 9.295 ( 0.695 -1.086 -3.126) 3.381 9.295 ( 0.695 1.086 -3.126) 3.381 9.852 ( 4.586 -0.900 0.570) 4.709 9.852 ( 4.586 0.900 0.570) 4.709 9.944 ( -1.279 -1.711 1.711) 2.737 9.944 ( -1.279 1.711 1.711) 2.737 10.524 ( -2.542 -0.903 1.640) 3.157 10.524 ( -2.542 0.903 1.640) 3.157 11.312 ( 0.097 -0.448 -1.460) 1.530 11.312 ( 0.097 0.448 -1.460) 1.530 11.774 ( -0.291 -1.628 1.030) 1.948 11.774 ( -0.291 1.628 1.030) 1.948 12.627 ( 12.877 -1.066 -0.756) 12.943 12.627 ( 12.877 1.066 -0.756) 12.943 12.867 ( -3.851 -3.274 -2.900) 5.827 12.867 ( -3.851 3.274 -2.900) 5.827 13.669 ( -10.276 -5.067 0.047) 11.457 13.669 ( -10.276 5.067 0.047) 11.457 13.933 ( -15.462 -0.561 0.378) 15.477 13.933 ( -15.462 0.561 0.378) 15.477 14.766 ( -12.386 -0.730 -0.710) 12.427 14.766 ( -12.386 0.730 -0.710) 12.427 15.189 ( 0.974 -0.159 -0.191) 1.005 15.189 ( 0.974 0.159 -0.191) 1.005 15.466 ( 8.500 -0.377 -0.040) 8.509 15.466 ( 8.500 0.377 -0.040) 8.509 17.438 ( 24.014 -2.903 -1.709) 24.249 17.438 ( 24.014 2.903 -1.709) 24.249 19.686 ( -24.838 -0.412 -0.178) 24.842 19.686 ( -24.838 0.412 -0.178) 24.842 21.670 ( -0.846 -0.278 -0.170) 0.907 21.670 ( -0.846 0.278 -0.170) 0.907 22.403 ( 8.063 -7.626 2.148) 11.304 22.403 ( 8.063 7.626 2.148) 11.304 22.510 ( 8.759 -7.989 -0.379) 11.861 22.510 ( 8.759 7.989 -0.379) 11.861 27.488 ( -0.229 -0.186 -0.051) 0.299 27.488 ( -0.229 0.186 -0.051) 0.299 28.207 ( -4.540 -0.064 0.301) 4.551 28.207 ( -4.540 0.064 0.301) 4.551 28.479 ( 22.289 -2.200 -1.926) 22.480 28.479 ( 22.289 2.200 -1.926) 22.480 28.909 ( 9.076 -0.620 0.268) 9.101 28.909 ( 9.076 0.620 0.268) 9.101 29.772 ( 4.559 -2.304 -0.461) 5.129 29.772 ( 4.559 2.304 -0.461) 5.129 30.153 ( 4.922 -1.730 -2.122) 5.632 30.153 ( 4.922 1.730 -2.122) 5.632 31.475 ( -2.976 -5.509 4.265) 7.577 31.475 ( -2.976 5.509 4.265) 7.577 31.993 ( -3.171 -5.118 -0.701) 6.062 31.993 ( -3.171 5.118 -0.701) 6.062 32.806 ( -5.584 -2.439 2.425) 6.559 32.806 ( -5.584 2.439 2.425) 6.559 33.202 ( -15.504 -1.483 -3.330) 15.927 33.202 ( -15.504 1.483 -3.330) 15.927 ======================= Grid point 179 (101/108) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 10.525 -8.060 4.828) 14.109 1.824 ( 10.525 8.060 4.828) 14.109 2.073 ( -1.142 -11.762 8.604) 14.618 2.073 ( -1.142 11.762 8.604) 14.618 2.435 ( -1.834 -2.874 -5.832) 6.755 2.435 ( -1.834 2.874 -5.832) 6.755 2.516 ( 5.347 -3.664 -2.061) 6.802 2.516 ( 5.347 3.664 -2.061) 6.802 2.656 ( -0.156 -4.966 -9.129) 10.394 2.656 ( -0.156 4.966 -9.129) 10.394 2.909 ( 1.364 -7.114 2.377) 7.624 2.909 ( 1.364 7.114 2.377) 7.624 3.346 ( 10.200 -1.498 2.679) 10.652 3.346 ( 10.200 1.498 2.679) 10.652 3.365 ( -0.761 -4.617 -7.862) 9.149 3.365 ( -0.761 4.617 -7.862) 9.149 3.648 ( 4.816 -4.318 3.035) 7.144 3.648 ( 4.816 4.318 3.035) 7.144 3.754 ( 1.089 -7.777 0.066) 7.853 3.754 ( 1.089 7.777 0.066) 7.853 3.903 ( 12.500 -1.518 6.476) 14.159 3.903 ( 12.500 1.518 6.476) 14.159 4.127 ( 5.607 -3.724 -3.284) 7.489 4.127 ( 5.607 3.724 -3.284) 7.489 4.489 ( 3.867 -0.219 -2.585) 4.657 4.489 ( 3.867 0.219 -2.585) 4.657 5.088 ( 6.004 -7.283 0.504) 9.453 5.088 ( 6.004 7.283 0.504) 9.453 5.354 ( -1.310 -5.447 -1.819) 5.890 5.354 ( -1.310 5.447 -1.819) 5.890 5.548 ( 1.170 -6.888 7.833) 10.496 5.548 ( 1.170 6.888 7.833) 10.496 5.704 ( 2.958 -1.856 4.858) 5.983 5.704 ( 2.958 1.856 4.858) 5.983 5.876 ( -0.747 -3.372 -3.017) 4.586 5.876 ( -0.747 3.372 -3.017) 4.586 6.029 ( 4.216 -3.773 -6.395) 8.538 6.029 ( 4.216 3.773 -6.395) 8.538 6.458 ( 9.001 -6.059 -0.586) 10.866 6.458 ( 9.001 6.059 -0.586) 10.866 6.796 ( -3.038 -8.912 6.211) 11.279 6.796 ( -3.038 8.912 6.211) 11.279 7.009 ( -2.230 -12.038 -4.448) 13.026 7.009 ( -2.230 12.038 -4.448) 13.026 7.528 ( -4.671 -7.836 -0.662) 9.147 7.528 ( -4.671 7.836 -0.662) 9.147 8.047 ( 8.126 -1.604 1.579) 8.432 8.047 ( 8.126 1.604 1.579) 8.432 8.222 ( 5.092 -6.858 2.117) 8.799 8.222 ( 5.092 6.858 2.117) 8.799 8.661 ( 4.361 -1.554 -1.259) 4.798 8.661 ( 4.361 1.554 -1.259) 4.798 9.348 ( 5.187 -0.758 -4.135) 6.677 9.348 ( 5.187 0.758 -4.135) 6.677 9.853 ( -1.853 -0.834 0.055) 2.032 9.853 ( -1.853 0.834 0.055) 2.032 9.998 ( 3.255 -1.363 0.152) 3.532 9.998 ( 3.255 1.363 0.152) 3.532 10.492 ( 0.582 -1.402 4.097) 4.369 10.492 ( 0.582 1.402 4.097) 4.369 11.370 ( 6.052 -0.516 -2.307) 6.497 11.370 ( 6.052 0.516 -2.307) 6.497 11.788 ( 1.449 -1.051 3.645) 4.061 11.788 ( 1.449 1.051 3.645) 4.061 12.695 ( -12.503 -2.596 -4.180) 13.436 12.695 ( -12.503 2.596 -4.180) 13.436 12.931 ( 14.164 -1.428 -1.295) 14.295 12.931 ( 14.164 1.428 -1.295) 14.295 13.349 ( -20.923 -3.984 0.531) 21.306 13.349 ( -20.923 3.984 0.531) 21.306 13.520 ( -21.483 -1.342 0.409) 21.528 13.520 ( -21.483 1.342 0.409) 21.528 14.362 ( -24.738 -0.591 -0.511) 24.750 14.362 ( -24.738 0.591 -0.511) 24.750 15.059 ( -10.247 -0.819 -0.288) 10.284 15.059 ( -10.247 0.819 -0.288) 10.284 15.944 ( 31.716 -1.479 -1.212) 31.773 15.944 ( 31.716 1.479 -1.212) 31.773 18.045 ( 33.203 -2.726 -2.181) 33.386 18.045 ( 33.203 2.726 -2.181) 33.386 19.141 ( -25.745 -0.705 -0.317) 25.757 19.141 ( -25.745 0.705 -0.317) 25.757 21.571 ( -8.888 -0.347 -0.142) 8.896 21.571 ( -8.888 0.347 -0.142) 8.896 22.442 ( 1.138 -2.722 -0.366) 2.973 22.442 ( 1.138 2.722 -0.366) 2.973 22.834 ( 14.931 -3.363 2.621) 15.528 22.834 ( 14.931 3.363 2.621) 15.528 27.488 ( 0.333 -0.261 -0.117) 0.439 27.488 ( 0.333 0.261 -0.117) 0.439 28.083 ( -7.250 -0.150 0.411) 7.263 28.083 ( -7.250 0.150 0.411) 7.263 28.987 ( 22.512 -1.823 -3.721) 22.890 28.987 ( 22.512 1.823 -3.721) 22.890 29.210 ( 21.758 -1.803 0.161) 21.833 29.210 ( 21.758 1.803 0.161) 21.833 29.891 ( 6.643 -1.361 -0.305) 6.788 29.891 ( 6.643 1.361 -0.305) 6.788 30.299 ( 9.058 -1.044 -1.104) 9.185 30.299 ( 9.058 1.044 -1.104) 9.185 31.402 ( -4.128 -5.006 5.034) 8.212 31.402 ( -4.128 5.006 5.034) 8.212 31.886 ( -7.213 -5.966 -1.476) 9.476 31.886 ( -7.213 5.966 -1.476) 9.476 32.635 ( -11.485 -7.647 2.414) 14.008 32.635 ( -11.485 7.647 2.414) 14.008 32.825 ( -18.400 -4.494 -2.496) 19.104 32.825 ( -18.400 4.494 -2.496) 19.104 ======================= Grid point 181 (102/108) ======================= q-point: ( 0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 3.789 -9.854 -1.475) 10.660 1.952 ( 3.789 9.854 -1.475) 10.660 2.113 ( 3.069 -5.522 1.018) 6.399 2.113 ( 3.069 5.522 1.018) 6.399 2.477 ( 5.185 -7.470 -3.133) 9.618 2.477 ( 5.185 7.470 -3.133) 9.618 2.595 ( -1.404 -0.768 -0.826) 1.801 2.595 ( -1.404 0.768 -0.826) 1.801 2.645 ( 4.049 -5.360 -2.860) 7.301 2.645 ( 4.049 5.360 -2.860) 7.301 2.970 ( 3.618 -9.895 4.866) 11.605 2.970 ( 3.618 9.895 4.866) 11.605 3.307 ( -1.656 -6.381 -7.541) 10.016 3.307 ( -1.656 6.381 -7.541) 10.016 3.519 ( 5.586 -8.704 -1.165) 10.407 3.519 ( 5.586 8.704 -1.165) 10.407 3.645 ( -0.282 -5.092 -1.145) 5.226 3.645 ( -0.282 5.092 -1.145) 5.226 3.817 ( 1.229 -3.281 3.610) 5.031 3.817 ( 1.229 3.281 3.610) 5.031 4.008 ( -1.354 -0.546 1.707) 2.246 4.008 ( -1.354 0.546 1.707) 2.246 4.251 ( 4.818 -5.674 0.539) 7.463 4.251 ( 4.818 5.674 0.539) 7.463 4.684 ( 11.171 -0.630 0.736) 11.213 4.684 ( 11.171 0.630 0.736) 11.213 5.040 ( -7.591 -2.005 1.251) 7.951 5.040 ( -7.591 2.005 1.251) 7.951 5.345 ( -0.030 -4.165 5.469) 6.875 5.345 ( -0.030 4.165 5.469) 6.875 5.597 ( 2.598 -8.931 0.855) 9.341 5.597 ( 2.598 8.931 0.855) 9.341 5.798 ( 3.177 -2.712 1.088) 4.317 5.798 ( 3.177 2.712 1.088) 4.317 5.815 ( -3.182 -3.926 -0.832) 5.122 5.815 ( -3.182 3.927 -0.832) 5.122 6.221 ( 10.899 -6.858 -4.038) 13.495 6.221 ( 10.899 6.858 -4.038) 13.495 6.548 ( 0.648 -1.123 0.946) 1.605 6.548 ( 0.648 1.123 0.946) 1.605 6.795 ( 1.734 -6.180 1.773) 6.659 6.795 ( 1.734 6.180 1.773) 6.659 7.100 ( 12.339 -7.952 -2.283) 14.855 7.100 ( 12.339 7.952 -2.283) 14.855 7.472 ( -0.655 -5.769 -2.901) 6.491 7.472 ( -0.655 5.769 -2.901) 6.491 8.245 ( 2.794 -2.465 7.284) 8.182 8.245 ( 2.794 2.465 7.284) 8.182 8.303 ( 10.839 -2.486 -2.724) 11.450 8.303 ( 10.839 2.486 -2.724) 11.450 8.784 ( 7.359 -1.953 -4.155) 8.673 8.784 ( 7.359 1.953 -4.155) 8.673 9.495 ( 8.339 -1.051 -3.379) 9.059 9.495 ( 8.339 1.051 -3.379) 9.059 9.841 ( -0.006 -0.150 0.521) 0.542 9.841 ( -0.006 0.150 0.521) 0.542 10.048 ( 4.655 -1.296 -0.886) 4.912 10.048 ( 4.655 1.296 -0.886) 4.912 10.579 ( 7.204 -2.570 4.792) 9.026 10.579 ( 7.204 2.570 4.792) 9.026 11.542 ( 9.638 -0.167 -1.500) 9.755 11.542 ( 9.638 0.167 -1.500) 9.755 11.834 ( 2.864 -1.381 5.456) 6.315 11.834 ( 2.864 1.381 5.456) 6.315 12.369 ( -18.473 -1.297 -4.668) 19.098 12.369 ( -18.473 1.297 -4.668) 19.098 12.754 ( -30.584 -0.302 0.778) 30.595 12.754 ( -30.584 0.302 0.778) 30.595 13.006 ( -14.508 -3.395 -0.061) 14.900 13.006 ( -14.508 3.395 -0.061) 14.900 13.309 ( -1.162 -1.712 -1.518) 2.567 13.309 ( -1.162 1.712 -1.518) 2.567 13.874 ( -16.012 -0.161 -0.209) 16.014 13.874 ( -16.012 0.161 -0.209) 16.014 14.821 ( -12.632 -0.883 0.021) 12.663 14.821 ( -12.632 0.883 0.021) 12.663 16.617 ( 32.141 -1.183 -2.209) 32.238 16.617 ( 32.141 1.183 -2.209) 32.238 18.546 ( -9.878 -0.674 -0.417) 9.910 18.546 ( -9.878 0.674 -0.417) 9.910 18.869 ( 24.015 -1.976 -1.649) 24.152 18.869 ( 24.015 1.976 -1.649) 24.152 21.301 ( -17.438 -0.263 -0.082) 17.440 21.301 ( -17.438 0.263 -0.082) 17.440 22.502 ( 5.054 -1.679 -0.570) 5.356 22.502 ( 5.054 1.679 -0.570) 5.356 23.032 ( 3.911 -1.774 2.635) 5.039 23.032 ( 3.911 1.774 2.635) 5.039 27.506 ( 1.491 -0.292 -0.137) 1.526 27.506 ( 1.491 0.292 -0.137) 1.526 27.924 ( -7.953 -0.171 0.289) 7.960 27.924 ( -7.953 0.171 0.289) 7.960 29.358 ( 15.555 -0.475 -2.774) 15.808 29.358 ( 15.555 0.475 -2.774) 15.808 29.734 ( 24.997 -3.632 -0.897) 25.276 29.734 ( 24.997 3.632 -0.897) 25.276 30.027 ( 6.566 -0.469 -0.068) 6.583 30.027 ( 6.566 0.469 -0.068) 6.583 30.510 ( 11.108 -0.575 -0.033) 11.123 30.510 ( 11.108 0.575 -0.033) 11.123 31.313 ( -4.847 -3.005 4.338) 7.165 31.313 ( -4.847 3.005 4.338) 7.165 31.698 ( -10.822 -4.282 -1.037) 11.684 31.698 ( -10.822 4.282 -1.037) 11.684 32.348 ( -14.012 -7.419 0.086) 15.855 32.348 ( -14.012 7.419 0.086) 15.855 32.520 ( -11.970 -4.339 -0.523) 12.743 32.520 ( -11.970 4.339 -0.523) 12.743 ======================= Grid point 183 (103/108) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.180 -5.817 3.188) 6.982 2.025 ( 2.180 5.817 3.188) 6.982 2.217 ( 8.396 -4.302 -4.413) 10.416 2.217 ( 8.396 4.302 -4.413) 10.416 2.506 ( -2.291 -2.628 -0.327) 3.502 2.506 ( -2.291 2.628 -0.327) 3.502 2.586 ( 0.827 -1.713 0.065) 1.903 2.586 ( 0.827 1.713 0.065) 1.903 2.739 ( 4.146 -4.507 -4.060) 7.348 2.739 ( 4.146 4.507 -4.060) 7.348 3.004 ( -3.470 -5.958 0.221) 6.898 3.004 ( -3.470 5.958 0.221) 6.898 3.299 ( 1.595 -5.268 -2.352) 5.986 3.299 ( 1.595 5.268 -2.352) 5.986 3.553 ( -0.248 -3.439 -1.687) 3.839 3.553 ( -0.248 3.439 -1.687) 3.839 3.712 ( 5.135 -3.989 -1.063) 6.588 3.712 ( 5.135 3.989 -1.063) 6.588 3.811 ( -1.473 -0.504 4.931) 5.171 3.811 ( -1.473 0.504 4.931) 5.171 3.972 ( -0.430 -1.141 0.571) 1.347 3.972 ( -0.430 1.142 0.571) 1.347 4.305 ( -0.265 -2.727 1.895) 3.331 4.305 ( -0.265 2.727 1.895) 3.331 4.817 ( 3.494 -3.186 -5.585) 7.318 4.817 ( 3.494 3.186 -5.585) 7.318 4.936 ( -1.310 -0.796 3.852) 4.145 4.936 ( -1.310 0.796 3.852) 4.145 5.341 ( -0.878 -11.730 7.864) 14.150 5.341 ( -0.878 11.730 7.864) 14.150 5.602 ( -2.993 -4.425 -3.573) 6.427 5.602 ( -2.993 4.425 -3.573) 6.427 5.721 ( -2.474 -1.389 -0.452) 2.873 5.721 ( -2.474 1.389 -0.452) 2.873 5.881 ( 2.706 -1.116 -0.090) 2.929 5.881 ( 2.706 1.116 -0.090) 2.929 6.326 ( 0.764 -7.085 0.029) 7.127 6.326 ( 0.764 7.085 0.029) 7.127 6.564 ( 0.192 -5.809 0.182) 5.815 6.564 ( 0.192 5.809 0.182) 5.815 6.917 ( 9.133 -3.728 2.897) 10.281 6.917 ( 9.133 3.728 2.897) 10.281 7.307 ( 3.410 -3.415 -0.207) 4.830 7.307 ( 3.410 3.415 -0.207) 4.830 7.535 ( 7.651 -1.501 -5.172) 9.356 7.535 ( 7.651 1.501 -5.172) 9.356 8.176 ( -5.719 -2.647 2.155) 6.660 8.176 ( -5.719 2.647 2.155) 6.660 8.621 ( 14.388 -0.709 0.850) 14.430 8.621 ( 14.388 0.709 0.850) 14.430 8.938 ( 7.018 -2.556 -5.126) 9.059 8.938 ( 7.018 2.556 -5.126) 9.059 9.636 ( 4.673 -1.669 -1.011) 5.064 9.636 ( 4.673 1.669 -1.011) 5.064 9.815 ( -1.840 -0.758 0.243) 2.005 9.815 ( -1.840 0.758 0.243) 2.005 10.321 ( 22.259 -0.316 -0.846) 22.277 10.321 ( 22.259 0.316 -0.846) 22.277 10.756 ( 8.767 -3.153 3.764) 10.049 10.756 ( 8.767 3.153 3.764) 10.049 11.642 ( -9.461 -0.624 0.294) 9.486 11.642 ( -9.461 0.624 0.294) 9.486 11.830 ( -13.455 -2.696 6.437) 15.157 11.830 ( -13.455 2.696 6.437) 15.157 12.008 ( -0.412 -5.302 -1.365) 5.491 12.008 ( -0.412 5.302 -1.365) 5.491 12.290 ( -7.980 -0.607 -3.253) 8.639 12.290 ( -7.980 0.607 -3.253) 8.639 12.664 ( -16.801 -1.949 0.279) 16.916 12.664 ( -16.801 1.949 0.279) 16.916 12.990 ( -22.919 -1.730 -1.642) 23.042 12.990 ( -22.919 1.730 -1.642) 23.042 13.928 ( 13.665 -0.322 -0.701) 13.687 13.928 ( 13.665 0.322 -0.701) 13.687 14.543 ( -14.336 -0.653 0.273) 14.353 14.543 ( -14.336 0.653 0.273) 14.353 17.227 ( 26.979 -0.418 -2.303) 27.080 17.227 ( 26.979 0.418 -2.303) 27.080 18.158 ( -20.469 -0.174 -0.364) 20.473 18.158 ( -20.469 0.174 -0.364) 20.473 19.567 ( 35.460 -1.172 -0.957) 35.492 19.567 ( 35.460 1.172 -0.957) 35.492 20.857 ( -25.590 -0.409 0.060) 25.593 20.857 ( -25.590 0.409 0.060) 25.593 22.649 ( 8.973 -1.146 -0.355) 9.053 22.649 ( 8.973 1.146 -0.355) 9.053 23.010 ( -5.441 -0.695 1.764) 5.762 23.010 ( -5.441 0.695 1.764) 5.762 27.553 ( 3.178 -0.282 -0.119) 3.193 27.553 ( 3.178 0.282 -0.119) 3.193 27.767 ( -7.093 -0.075 0.114) 7.094 27.767 ( -7.093 0.075 0.114) 7.094 29.632 ( 10.544 -0.368 -2.246) 10.787 29.632 ( 10.544 0.368 -2.246) 10.787 30.035 ( 3.245 -1.725 0.225) 3.682 30.035 ( 3.245 1.725 0.225) 3.682 30.280 ( 18.591 -0.816 -0.288) 18.611 30.280 ( 18.591 0.816 -0.288) 18.611 30.715 ( 6.739 -0.992 -0.044) 6.812 30.715 ( 6.739 0.992 -0.044) 6.812 31.211 ( -4.146 -0.619 2.384) 4.822 31.211 ( -4.146 0.619 2.384) 4.822 31.467 ( -10.786 -1.160 0.361) 10.854 31.467 ( -10.786 1.160 0.361) 10.854 32.142 ( -5.333 -3.335 -0.745) 6.333 32.142 ( -5.333 3.335 -0.745) 6.333 32.301 ( -9.135 -1.977 -0.188) 9.348 32.301 ( -9.135 1.977 -0.188) 9.348 ======================= Grid point 185 (104/108) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -0.178 -3.054 5.339) 6.153 2.044 ( -0.178 3.054 5.339) 6.153 2.373 ( -0.988 -1.836 -3.477) 4.055 2.373 ( -0.988 1.836 -3.477) 4.055 2.448 ( 1.287 -2.621 1.564) 3.312 2.448 ( 1.287 2.621 1.564) 3.312 2.577 ( -0.968 -2.320 0.037) 2.514 2.577 ( -0.968 2.320 0.037) 2.514 2.786 ( -5.048 -1.932 -5.016) 7.375 2.786 ( -5.048 1.932 -5.016) 7.375 2.895 ( 2.371 -2.509 -1.860) 3.921 2.895 ( 2.371 2.509 -1.860) 3.921 3.334 ( 1.440 -0.766 2.351) 2.861 3.334 ( 1.439 0.766 2.351) 2.861 3.548 ( -2.061 -2.483 -1.347) 3.496 3.548 ( -2.061 2.483 -1.347) 3.496 3.755 ( -2.625 -2.866 2.653) 4.706 3.755 ( -2.625 2.866 2.653) 4.706 3.822 ( 4.812 -3.462 -2.431) 6.407 3.822 ( 4.812 3.462 -2.431) 6.407 3.970 ( -1.172 -2.329 2.945) 3.934 3.970 ( -1.172 2.329 2.945) 3.934 4.295 ( 1.210 -0.991 1.986) 2.528 4.295 ( 1.210 0.991 1.986) 2.528 4.836 ( -4.208 -3.083 0.503) 5.241 4.836 ( -4.208 3.083 0.503) 5.241 4.987 ( 6.889 -1.781 -7.577) 10.394 4.987 ( 6.889 1.781 -7.577) 10.394 5.343 ( 1.595 -6.717 5.465) 8.805 5.343 ( 1.595 6.717 5.465) 8.805 5.517 ( -2.797 -5.788 -2.218) 6.800 5.517 ( -2.797 5.788 -2.218) 6.800 5.710 ( 0.649 -1.391 -0.094) 1.538 5.710 ( 0.649 1.391 -0.094) 1.538 5.912 ( 0.492 -2.834 -2.037) 3.525 5.912 ( 0.492 2.834 -2.037) 3.525 6.328 ( -0.138 -3.673 1.160) 3.854 6.328 ( -0.138 3.673 1.160) 3.854 6.561 ( -0.109 -2.610 -0.102) 2.614 6.561 ( -0.109 2.610 -0.102) 2.614 7.049 ( 0.569 -1.105 6.049) 6.175 7.049 ( 0.569 1.105 6.049) 6.175 7.299 ( -1.015 -0.760 -2.090) 2.444 7.299 ( -1.015 0.760 -2.090) 2.444 7.631 ( -2.050 -1.244 -0.481) 2.445 7.631 ( -2.050 1.244 -0.481) 2.445 8.093 ( -0.129 -0.392 -0.027) 0.413 8.093 ( -0.129 0.392 -0.027) 0.413 8.797 ( 2.041 -0.806 -0.584) 2.271 8.797 ( 2.041 0.806 -0.584) 2.271 9.012 ( -1.034 -0.224 -4.153) 4.285 9.012 ( -1.034 0.224 -4.153) 4.285 9.679 ( -0.942 -0.755 1.543) 1.959 9.679 ( -0.942 0.755 1.543) 1.959 9.788 ( -0.201 -0.537 -0.395) 0.696 9.788 ( -0.201 0.537 -0.395) 0.696 10.785 ( -1.640 -0.500 0.411) 1.763 10.785 ( -1.640 0.500 0.411) 1.763 10.861 ( 2.672 -0.221 -0.309) 2.699 10.861 ( 2.672 0.221 -0.309) 2.699 11.198 ( 0.206 -0.577 1.646) 1.757 11.198 ( 0.206 0.577 1.646) 1.757 11.709 ( -0.148 -0.317 4.234) 4.248 11.709 ( -0.148 0.317 4.234) 4.248 12.152 ( 1.258 -1.111 1.082) 1.997 12.152 ( 1.258 1.111 1.082) 1.997 12.272 ( -1.278 -0.654 -1.744) 2.259 12.272 ( -1.278 0.654 -1.744) 2.259 12.432 ( -0.337 -0.664 0.269) 0.792 12.432 ( -0.337 0.664 0.269) 0.792 12.671 ( 0.086 -1.262 -2.618) 2.908 12.671 ( 0.086 1.262 -2.618) 2.908 14.197 ( -2.753 -0.124 0.187) 2.762 14.197 ( -2.753 0.124 0.187) 2.762 14.276 ( 2.664 -0.076 -0.521) 2.716 14.276 ( 2.664 0.076 -0.521) 2.716 17.687 ( -3.555 -0.424 -1.299) 3.809 17.687 ( -3.555 0.424 -1.299) 3.809 17.763 ( 3.467 -0.416 -1.153) 3.677 17.763 ( 3.467 0.416 -1.153) 3.677 20.232 ( -3.111 -0.901 -0.104) 3.241 20.232 ( -3.111 0.901 -0.104) 3.241 20.291 ( 2.775 -0.526 0.082) 2.826 20.291 ( 2.775 0.526 0.082) 2.826 22.823 ( -2.354 -0.651 0.792) 2.568 22.823 ( -2.354 0.651 0.792) 2.568 22.872 ( 2.443 -0.085 0.118) 2.447 22.872 ( 2.443 0.085 0.118) 2.447 27.633 ( -0.241 -0.020 -0.073) 0.252 27.633 ( -0.241 0.020 -0.073) 0.252 27.645 ( 0.233 -0.159 0.027) 0.283 27.645 ( 0.233 0.159 0.027) 0.283 29.743 ( -0.842 -0.227 -1.002) 1.328 29.743 ( -0.842 0.227 -1.002) 1.328 30.054 ( 0.340 -0.328 0.115) 0.486 30.054 ( 0.340 0.328 0.115) 0.486 30.582 ( 2.672 -1.189 -0.491) 2.965 30.582 ( 2.672 1.189 -0.491) 2.965 30.693 ( -2.537 -1.215 -0.679) 2.894 30.693 ( -2.537 1.215 -0.679) 2.894 31.235 ( 3.064 -0.701 2.304) 3.897 31.235 ( 3.064 0.701 2.304) 3.897 31.287 ( -2.615 -0.890 0.094) 2.764 31.287 ( -2.615 0.890 0.094) 2.764 32.109 ( -0.076 -0.016 -0.558) 0.563 32.109 ( -0.076 0.016 -0.558) 0.563 32.185 ( 0.255 -0.221 -0.537) 0.635 32.185 ( 0.255 0.221 -0.537) 0.635 ======================= Grid point 187 (105/108) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -4.347 -9.184 5.112) 11.374 2.012 ( -4.347 9.184 5.112) 11.374 2.188 ( -8.992 -9.181 -2.887) 13.171 2.188 ( -8.992 9.181 -2.887) 13.171 2.471 ( -2.684 -1.465 3.145) 4.387 2.471 ( -2.684 1.465 3.145) 4.387 2.598 ( 1.225 -2.285 -1.612) 3.053 2.598 ( 1.225 2.285 -1.612) 3.053 2.691 ( -0.785 -0.597 1.637) 1.911 2.691 ( -0.785 0.597 1.637) 1.911 3.012 ( 5.306 -7.031 -1.903) 9.012 3.012 ( 5.306 7.031 -1.903) 9.012 3.295 ( -7.000 -4.730 -0.426) 8.459 3.295 ( -7.000 4.730 -0.426) 8.459 3.517 ( 1.015 -2.703 1.845) 3.427 3.517 ( 1.015 2.703 1.845) 3.427 3.662 ( -5.934 -3.243 4.228) 7.975 3.662 ( -5.934 3.243 4.228) 7.975 3.912 ( 3.869 -1.763 -3.247) 5.350 3.912 ( 3.869 1.763 -3.247) 5.350 3.984 ( 2.529 -2.901 -3.008) 4.885 3.984 ( 2.529 2.901 -3.008) 4.885 4.304 ( -2.131 -4.383 2.343) 5.407 4.304 ( -2.131 4.383 2.343) 5.407 4.759 ( -1.533 -5.740 -0.576) 5.969 4.759 ( -1.533 5.740 -0.576) 5.969 5.065 ( 0.776 -2.301 -8.647) 8.981 5.065 ( 0.776 2.301 -8.647) 8.981 5.428 ( 5.239 -7.548 1.670) 9.338 5.428 ( 5.239 7.548 1.670) 9.338 5.516 ( 1.901 -1.333 2.266) 3.244 5.516 ( 1.901 1.333 2.266) 3.244 5.743 ( 2.459 -5.191 -1.971) 6.073 5.743 ( 2.459 5.191 -1.971) 6.073 5.901 ( -1.614 -4.185 -2.400) 5.087 5.901 ( -1.614 4.185 -2.400) 5.088 6.311 ( -2.484 -5.707 1.834) 6.489 6.311 ( -2.484 5.707 1.834) 6.489 6.562 ( 0.077 -3.906 -0.006) 3.907 6.562 ( 0.077 3.906 -0.006) 3.907 6.898 ( -12.469 -1.229 4.894) 13.451 6.898 ( -12.469 1.229 4.894) 13.451 7.325 ( 1.391 -2.613 -0.724) 3.048 7.325 ( 1.391 2.613 -0.724) 3.048 7.449 ( -12.436 -0.407 2.415) 12.675 7.449 ( -12.436 0.407 2.415) 12.675 8.168 ( 5.225 -3.659 2.109) 6.718 8.168 ( 5.225 3.659 2.109) 6.718 8.683 ( -13.094 -1.485 -4.905) 14.061 8.683 ( -13.094 1.485 -4.905) 14.061 8.910 ( -6.593 -2.315 -2.183) 7.321 8.910 ( -6.593 2.315 -2.183) 7.321 9.587 ( -7.302 -0.397 3.768) 8.226 9.587 ( -7.302 0.397 3.768) 8.226 9.823 ( 2.747 -0.711 -0.297) 2.853 9.823 ( 2.747 0.711 -0.297) 2.853 10.309 ( -22.568 -0.474 0.559) 22.580 10.309 ( -22.568 0.474 0.559) 22.580 10.805 ( -7.786 -1.284 -1.406) 8.016 10.805 ( -7.786 1.284 -1.406) 8.016 11.629 ( 8.920 -1.763 1.507) 9.217 11.629 ( 8.920 1.763 1.507) 9.217 11.851 ( 17.616 -3.015 3.874) 18.287 11.851 ( 17.616 3.015 3.874) 18.287 12.041 ( -5.187 -3.852 -3.846) 7.519 12.041 ( -5.187 3.852 -3.846) 7.519 12.238 ( 10.008 -0.507 1.833) 10.187 12.238 ( 10.008 0.507 1.833) 10.187 12.678 ( 17.103 -3.176 -1.046) 17.427 12.678 ( 17.103 3.176 -1.046) 17.427 12.978 ( 22.274 -3.335 -0.594) 22.530 12.978 ( 22.274 3.335 -0.594) 22.530 13.915 ( -13.402 -0.135 0.553) 13.414 13.915 ( -13.402 0.135 0.553) 13.414 14.554 ( 14.181 -0.271 -0.781) 14.205 14.554 ( 14.181 0.271 -0.781) 14.205 17.215 ( -26.745 -1.585 -1.161) 26.817 17.215 ( -26.745 1.585 -1.161) 26.817 18.164 ( 20.135 -0.673 -0.999) 20.171 18.164 ( 20.135 0.673 -0.999) 20.171 19.554 ( -35.825 -0.797 0.351) 35.836 19.554 ( -35.825 0.797 0.351) 35.836 20.857 ( 25.424 -0.617 0.055) 25.431 20.857 ( 25.424 0.617 0.055) 25.431 22.635 ( -9.311 -0.883 1.019) 9.408 22.635 ( -9.311 0.883 1.019) 9.408 23.028 ( 5.824 -0.886 0.019) 5.891 23.028 ( 5.824 0.886 0.019) 5.891 27.552 ( -3.183 -0.200 -0.045) 3.190 27.552 ( -3.183 0.200 -0.045) 3.190 27.768 ( 7.132 -0.263 0.037) 7.137 27.768 ( 7.132 0.263 0.037) 7.137 29.606 ( -11.256 -0.496 0.388) 11.274 29.606 ( -11.256 0.496 0.388) 11.274 30.037 ( -4.111 -0.104 0.062) 4.113 30.037 ( -4.111 0.104 0.062) 4.113 30.302 ( -18.101 -2.480 -2.589) 18.453 30.302 ( -18.101 2.480 -2.589) 18.453 30.716 ( -5.175 -0.582 -0.060) 5.208 30.716 ( -5.175 0.582 -0.060) 5.208 31.231 ( 4.408 -3.398 0.425) 5.582 31.231 ( 4.408 3.398 0.425) 5.582 31.450 ( 10.028 -1.258 1.911) 10.286 31.450 ( 10.028 1.258 1.911) 10.286 32.136 ( 4.898 -2.165 -0.192) 5.358 32.136 ( 4.898 2.165 -0.192) 5.358 32.314 ( 9.977 -3.019 -1.369) 10.513 32.314 ( 9.977 3.019 -1.369) 10.513 ======================= Grid point 189 (106/108) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -5.844 -2.050 5.499) 8.282 1.876 ( -5.844 2.050 5.499) 8.282 2.122 ( 0.985 -3.522 0.137) 3.660 2.122 ( 0.985 3.522 0.137) 3.660 2.382 ( -5.788 -6.013 4.669) 9.563 2.382 ( -5.788 6.013 4.669) 9.563 2.589 ( -1.607 -2.779 -1.760) 3.661 2.589 ( -1.607 2.779 -1.760) 3.661 2.687 ( -1.517 -4.035 -2.686) 5.079 2.687 ( -1.517 4.035 -2.686) 5.079 3.049 ( -3.677 -6.625 -1.593) 7.742 3.049 ( -3.677 6.625 -1.593) 7.742 3.174 ( -0.579 -4.823 3.305) 5.876 3.174 ( -0.579 4.823 3.305) 5.876 3.454 ( -5.546 -9.284 4.884) 11.866 3.454 ( -5.546 9.284 4.884) 11.866 3.647 ( 2.609 -0.559 -1.134) 2.899 3.647 ( 2.609 0.559 -1.134) 2.899 3.918 ( -3.309 -3.690 -5.580) 7.464 3.918 ( -3.309 3.690 -5.580) 7.464 4.053 ( 3.253 -4.226 -3.438) 6.345 4.053 ( 3.253 4.226 -3.438) 6.345 4.223 ( -5.756 -8.154 2.965) 10.412 4.223 ( -5.756 8.154 2.965) 10.412 4.712 ( -5.771 -4.203 -1.396) 7.274 4.712 ( -5.771 4.203 -1.396) 7.274 5.088 ( 2.221 -2.329 -4.000) 5.134 5.088 ( 2.221 2.329 -4.000) 5.134 5.425 ( -5.968 -5.242 -2.443) 8.311 5.425 ( -5.968 5.242 -2.443) 8.311 5.594 ( 4.326 -8.156 1.798) 9.406 5.594 ( 4.326 8.156 1.798) 9.406 5.775 ( -0.491 -2.806 0.753) 2.947 5.775 ( -0.491 2.806 0.753) 2.947 5.862 ( -0.536 -1.849 -2.874) 3.459 5.862 ( -0.536 1.849 -2.874) 3.459 6.157 ( -12.462 -11.210 2.240) 16.911 6.157 ( -12.462 11.210 2.240) 16.911 6.547 ( -1.974 -3.942 0.486) 4.435 6.547 ( -1.974 3.942 0.486) 4.435 6.751 ( 0.834 -6.701 5.909) 8.973 6.751 ( 0.834 6.701 5.909) 8.973 7.093 ( -15.558 -3.858 -0.968) 16.059 7.093 ( -15.558 3.858 -0.968) 16.059 7.424 ( 3.722 -3.454 1.743) 5.368 7.424 ( 3.722 3.454 1.743) 5.368 8.211 ( -4.972 -3.395 5.351) 8.054 8.211 ( -4.972 3.395 5.351) 8.054 8.398 ( -8.214 -2.729 -7.370) 11.368 8.398 ( -8.214 2.729 -7.370) 11.368 8.777 ( -6.019 -3.525 -3.192) 7.671 8.777 ( -6.019 3.525 -3.192) 7.671 9.409 ( -9.465 -0.507 5.474) 10.945 9.409 ( -9.465 0.507 5.474) 10.945 9.851 ( -0.974 -0.112 -0.594) 1.147 9.851 ( -0.974 0.112 -0.594) 1.147 10.031 ( -4.615 -0.996 1.224) 4.877 10.031 ( -4.615 0.996 1.224) 4.877 10.639 ( -6.900 -1.545 -1.423) 7.213 10.639 ( -6.900 1.545 -1.423) 7.213 11.509 ( -10.663 -0.824 1.718) 10.832 11.509 ( -10.663 0.824 1.718) 10.832 11.942 ( -3.112 -2.782 -5.692) 7.058 11.942 ( -3.112 2.782 -5.692) 7.058 12.272 ( 18.641 -3.306 5.274) 19.653 12.272 ( 18.641 3.306 5.274) 19.653 12.764 ( 30.828 -0.115 -0.086) 30.829 12.764 ( 30.828 0.115 -0.086) 30.829 13.018 ( 14.234 -4.203 -1.319) 14.900 13.018 ( 14.234 4.203 -1.319) 14.900 13.288 ( 2.039 -2.814 0.495) 3.510 13.288 ( 2.039 2.814 0.495) 3.510 13.873 ( 16.190 -0.585 -0.059) 16.201 13.873 ( 16.190 0.585 -0.059) 16.201 14.828 ( 12.399 -0.196 -0.635) 12.416 14.828 ( 12.399 0.196 -0.635) 12.416 16.611 ( -31.655 -2.477 -1.673) 31.796 16.611 ( -31.655 2.477 -1.673) 31.796 18.536 ( 7.283 -0.893 0.637) 7.365 18.536 ( 7.283 0.893 0.637) 7.365 18.858 ( -22.024 -0.404 -0.520) 22.034 18.858 ( -22.024 0.404 -0.520) 22.034 21.300 ( 17.450 -0.613 0.068) 17.461 21.300 ( 17.450 0.613 0.068) 17.461 22.480 ( -5.518 -1.947 1.673) 6.086 22.480 ( -5.518 1.947 1.673) 6.086 23.059 ( -3.614 -1.440 0.008) 3.890 23.059 ( -3.614 1.440 0.008) 3.890 27.505 ( -1.481 -0.236 -0.063) 1.501 27.505 ( -1.481 0.236 -0.063) 1.501 27.926 ( 8.048 -0.319 0.059) 8.055 27.926 ( 8.048 0.319 0.059) 8.055 29.322 ( -15.821 -0.487 0.787) 15.848 29.322 ( -15.821 0.487 0.787) 15.848 29.727 ( -24.615 -1.333 -0.131) 24.651 29.727 ( -24.615 1.333 -0.131) 24.651 30.050 ( -7.117 -1.769 -2.364) 7.706 30.050 ( -7.117 1.769 -2.364) 7.706 30.528 ( -10.885 -1.588 -1.669) 11.126 30.528 ( -10.885 1.588 -1.669) 11.126 31.356 ( 5.879 -3.453 0.184) 6.820 31.356 ( 5.879 3.453 0.184) 6.820 31.656 ( 9.633 -3.162 2.934) 10.554 31.656 ( 9.633 3.162 2.934) 10.554 32.331 ( 13.341 -4.655 1.401) 14.199 32.331 ( 13.341 4.655 1.401) 14.199 32.553 ( 13.100 -6.291 -3.318) 14.906 32.553 ( 13.100 6.291 -3.318) 14.906 ======================= Grid point 191 (107/108) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.558 -8.539 7.692) 12.030 1.803 ( -3.558 8.539 7.692) 12.030 2.168 ( 0.780 -5.848 5.187) 7.856 2.168 ( 0.781 5.848 5.187) 7.856 2.293 ( 0.632 -10.339 -0.330) 10.364 2.293 ( 0.632 10.339 -0.330) 10.364 2.529 ( -4.527 -6.081 -1.559) 7.740 2.529 ( -4.527 6.081 -1.559) 7.740 2.622 ( -2.607 -5.843 -5.247) 8.275 2.622 ( -2.607 5.843 -5.247) 8.275 2.948 ( -4.158 -5.872 0.373) 7.205 2.948 ( -4.158 5.872 0.373) 7.205 3.223 ( 2.348 -6.160 4.491) 7.977 3.223 ( 2.348 6.160 4.491) 7.977 3.356 ( -5.951 -4.187 1.894) 7.519 3.356 ( -5.951 4.187 1.894) 7.519 3.664 ( -3.019 -3.553 -1.189) 4.811 3.664 ( -3.019 3.553 -1.189) 4.811 3.808 ( -6.878 -4.826 -4.790) 9.672 3.808 ( -6.878 4.826 -4.790) 9.672 4.005 ( -11.150 -4.707 0.491) 12.113 4.005 ( -11.150 4.707 0.491) 12.113 4.077 ( -5.075 -4.296 -1.658) 6.853 4.077 ( -5.075 4.296 -1.658) 6.853 4.504 ( -9.619 -1.176 -3.001) 10.145 4.504 ( -9.619 1.176 -3.001) 10.145 5.092 ( -2.974 -5.793 0.052) 6.512 5.092 ( -2.974 5.793 0.052) 6.512 5.320 ( -1.166 -5.992 1.524) 6.292 5.320 ( -1.166 5.992 1.524) 6.292 5.651 ( 0.801 -4.971 -1.164) 5.168 5.651 ( 0.801 4.971 -1.164) 5.168 5.763 ( -0.651 -1.660 0.420) 1.832 5.763 ( -0.651 1.660 0.420) 1.832 5.830 ( -3.863 -0.645 -0.349) 3.932 5.830 ( -3.863 0.645 -0.349) 3.932 5.958 ( -3.466 -2.957 -0.402) 4.574 5.958 ( -3.466 2.957 -0.402) 4.574 6.439 ( -8.255 -4.619 1.345) 9.555 6.439 ( -8.255 4.619 1.345) 9.555 6.865 ( 7.501 -4.887 3.790) 9.721 6.865 ( 7.501 4.887 3.790) 9.721 6.910 ( -1.029 -9.123 0.958) 9.231 6.910 ( -1.029 9.123 0.958) 9.231 7.513 ( 4.895 -6.114 0.692) 7.863 7.513 ( 4.895 6.114 0.692) 7.863 8.040 ( -7.228 -1.065 1.719) 7.505 8.040 ( -7.228 1.065 1.719) 7.505 8.294 ( -6.376 -2.036 -4.717) 8.188 8.294 ( -6.376 2.036 -4.717) 8.188 8.683 ( -2.617 -1.945 -3.456) 4.751 8.683 ( -2.617 1.945 -3.456) 4.751 9.251 ( -5.145 -1.874 5.755) 7.944 9.251 ( -5.145 1.874 5.755) 7.944 9.841 ( 0.949 -1.265 1.267) 2.026 9.841 ( 0.949 1.265 1.267) 2.026 9.983 ( -2.696 -0.579 1.640) 3.209 9.983 ( -2.696 0.579 1.640) 3.209 10.557 ( -0.874 -1.172 -2.378) 2.791 10.557 ( -0.874 1.172 -2.378) 2.791 11.326 ( -6.046 -0.186 2.037) 6.383 11.326 ( -6.046 0.186 2.037) 6.383 11.879 ( -3.080 -1.661 -5.535) 6.548 11.879 ( -3.080 1.661 -5.535) 6.548 12.614 ( 13.579 -2.139 4.175) 14.366 12.614 ( 13.579 2.139 4.175) 14.366 12.906 ( -13.877 -1.435 1.147) 13.998 12.906 ( -13.877 1.435 1.147) 13.998 13.374 ( 20.579 -4.737 -1.921) 21.204 13.374 ( 20.579 4.737 -1.921) 21.204 13.532 ( 21.949 -1.714 -0.781) 22.029 13.532 ( 21.949 1.714 -0.781) 22.029 14.358 ( 24.650 -1.477 -0.172) 24.695 14.358 ( 24.650 1.477 -0.172) 24.695 15.059 ( 9.930 -0.122 -0.349) 9.936 15.059 ( 9.930 0.122 -0.349) 9.936 15.947 ( -31.293 -2.115 -1.520) 31.401 15.947 ( -31.293 2.115 -1.520) 31.401 18.017 ( -32.987 -0.597 0.634) 32.999 18.017 ( -32.987 0.597 0.634) 32.999 19.139 ( 25.463 -1.395 -0.077) 25.502 19.139 ( 25.463 1.395 -0.077) 25.502 21.571 ( 8.962 -0.664 -0.092) 8.987 21.571 ( 8.962 0.664 -0.092) 8.987 22.415 ( -0.971 -3.307 2.317) 4.153 22.415 ( -0.971 3.307 2.317) 4.153 22.862 ( -15.255 -2.506 -0.255) 15.462 22.862 ( -15.255 2.506 -0.255) 15.462 27.487 ( -0.326 -0.197 -0.055) 0.385 27.487 ( -0.326 0.197 -0.055) 0.385 28.087 ( 7.316 -0.368 -0.022) 7.325 28.087 ( 7.316 0.368 -0.022) 7.325 28.950 ( -21.761 -0.463 0.007) 21.766 28.950 ( -21.761 0.463 0.007) 21.766 29.207 ( -22.043 -1.054 0.387) 22.072 29.207 ( -22.043 1.054 0.387) 22.072 29.906 ( -6.945 -1.827 -1.708) 7.381 29.906 ( -6.945 1.827 -1.708) 7.381 30.314 ( -9.259 -2.492 -2.521) 9.914 30.314 ( -9.259 2.492 -2.521) 9.914 31.454 ( 3.690 -2.799 -0.031) 4.632 31.454 ( 3.690 2.799 -0.031) 4.632 31.836 ( 7.525 -4.024 3.349) 9.167 31.836 ( 7.525 4.024 3.349) 9.167 32.617 ( 12.284 -7.031 3.303) 14.534 32.617 ( 12.284 7.031 3.303) 14.534 32.862 ( 17.600 -8.436 -5.288) 20.221 32.862 ( 17.600 8.436 -5.288) 20.221 ======================= Grid point 193 (108/108) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -7.753 -6.556 6.473) 12.041 1.685 ( -7.753 6.556 6.473) 12.041 2.112 ( -3.211 -8.288 7.313) 11.510 2.112 ( -3.211 8.288 7.313) 11.510 2.368 ( -4.006 -2.710 -1.400) 5.035 2.368 ( -4.006 2.710 -1.400) 5.035 2.455 ( 0.670 -1.530 -2.351) 2.884 2.455 ( 0.670 1.530 -2.351) 2.884 2.648 ( 5.679 -6.595 -0.074) 8.704 2.648 ( 5.679 6.595 -0.074) 8.704 2.858 ( -4.007 -6.102 -0.447) 7.314 2.858 ( -4.007 6.102 -0.447) 7.314 3.140 ( -8.180 -1.493 -5.378) 9.903 3.140 ( -8.180 1.493 -5.378) 9.903 3.182 ( -12.156 -6.660 7.879) 15.944 3.182 ( -12.156 6.660 7.879) 15.944 3.497 ( -4.392 -4.865 -0.681) 6.589 3.497 ( -4.392 4.865 -0.681) 6.589 3.661 ( -7.189 -3.245 -2.355) 8.232 3.661 ( -7.189 3.245 -2.355) 8.232 3.877 ( 0.475 -4.422 1.540) 4.706 3.877 ( 0.475 4.422 1.540) 4.706 4.026 ( -0.271 -7.143 -6.588) 9.721 4.026 ( -0.271 7.143 -6.588) 9.721 4.431 ( 0.547 -1.450 0.976) 1.832 4.431 ( 0.547 1.450 0.976) 1.832 4.980 ( -6.722 -3.237 -2.656) 7.919 4.980 ( -6.722 3.237 -2.656) 7.919 5.338 ( 1.231 -6.299 3.199) 7.171 5.338 ( 1.231 6.299 3.199) 7.171 5.637 ( -0.578 -0.520 -2.175) 2.310 5.637 ( -0.578 0.520 -2.175) 2.310 5.714 ( -1.889 -1.491 0.507) 2.459 5.714 ( -1.889 1.491 0.507) 2.459 5.819 ( 0.155 -3.250 3.363) 4.679 5.819 ( 0.155 3.250 3.363) 4.679 5.953 ( 1.724 -3.036 -1.660) 3.866 5.953 ( 1.724 3.036 -1.660) 3.866 6.288 ( -5.545 -2.264 -0.364) 6.000 6.288 ( -5.545 2.264 -0.364) 6.000 6.941 ( 2.876 -9.368 0.885) 9.839 6.941 ( 2.876 9.368 0.885) 9.839 7.017 ( 5.046 -3.867 1.805) 6.609 7.017 ( 5.046 3.867 1.805) 6.609 7.621 ( 5.068 -5.381 2.648) 7.852 7.621 ( 5.068 5.381 2.648) 7.852 7.939 ( -3.511 -2.229 1.789) 4.527 7.939 ( -3.511 2.229 1.789) 4.527 8.138 ( -6.509 -0.475 -5.264) 8.384 8.138 ( -6.509 0.475 -5.264) 8.384 8.647 ( -1.395 -1.474 -2.405) 3.147 8.647 ( -1.395 1.474 -2.405) 3.147 9.219 ( 1.504 -3.225 4.549) 5.775 9.219 ( 1.504 3.225 4.549) 5.775 9.828 ( -3.589 -1.159 2.987) 4.811 9.828 ( -3.589 1.159 2.987) 4.811 9.957 ( 1.338 -3.095 0.455) 3.402 9.957 ( 1.338 3.095 0.455) 3.402 10.566 ( 0.745 -0.746 -2.422) 2.642 10.566 ( 0.745 0.746 -2.422) 2.642 11.282 ( 1.173 -0.233 1.470) 1.895 11.282 ( 1.173 0.233 1.470) 1.895 11.818 ( -2.161 -0.756 -3.421) 4.117 11.818 ( -2.161 0.756 -3.421) 4.117 12.610 ( -12.135 -0.608 1.057) 12.196 12.610 ( -12.135 0.608 1.057) 12.196 12.819 ( 5.781 -1.440 1.989) 6.280 12.819 ( 5.781 1.440 1.989) 6.280 13.691 ( 9.984 -6.603 -2.158) 12.163 13.691 ( 9.984 6.603 -2.158) 12.163 13.941 ( 14.989 -0.682 -0.478) 15.012 13.941 ( 14.989 0.682 -0.478) 15.012 14.761 ( 12.373 -1.266 -0.210) 12.439 14.761 ( 12.373 1.266 -0.210) 12.439 15.188 ( -0.366 -0.326 -0.180) 0.522 15.188 ( -0.366 0.326 -0.180) 0.522 15.469 ( -9.124 -0.735 -0.343) 9.160 15.469 ( -9.124 0.735 -0.343) 9.160 17.420 ( -23.248 -0.954 0.156) 23.268 17.420 ( -23.248 0.954 0.156) 23.268 19.680 ( 24.836 -1.794 0.417) 24.904 19.680 ( 24.836 1.794 0.417) 24.904 21.671 ( 0.933 -0.569 -0.273) 1.126 21.671 ( 0.933 0.569 -0.273) 1.126 22.415 ( -2.583 -7.639 1.242) 8.159 22.415 ( -2.583 7.639 1.242) 8.159 22.499 ( -14.346 -7.221 0.386) 16.066 22.499 ( -14.346 7.221 0.386) 16.066 27.487 ( 0.245 -0.098 -0.002) 0.264 27.487 ( 0.245 0.098 -0.002) 0.264 28.212 ( 4.418 -0.251 -0.118) 4.426 28.212 ( 4.418 0.251 -0.118) 4.426 28.462 ( -21.370 -0.128 -0.197) 21.372 28.462 ( -21.370 0.128 -0.197) 21.372 28.901 ( -8.957 -0.344 1.078) 9.028 28.901 ( -8.957 0.344 1.078) 9.028 29.778 ( -4.887 -2.411 -1.092) 5.557 29.778 ( -4.887 2.411 -1.092) 5.557 30.161 ( -5.182 -2.661 -2.914) 6.513 30.161 ( -5.182 2.661 -2.914) 6.513 31.508 ( 1.499 -3.277 0.994) 3.738 31.508 ( 1.499 3.277 0.994) 3.738 31.962 ( 4.444 -2.719 2.384) 5.729 31.962 ( 4.444 2.719 2.384) 5.729 32.803 ( 5.841 -4.348 2.517) 7.704 32.803 ( 5.841 4.348 2.517) 7.704 33.218 ( 14.823 -4.632 -4.786) 16.251 33.218 ( 14.823 4.632 -4.786) 16.251 =================== 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 3/30240 10.0 224.509 228.063 213.963 0.000 -18.924 0.000 3/30240 20.0 44.293 33.161 29.468 0.000 -0.223 0.000 3/30240 30.0 17.691 13.406 11.305 0.000 0.417 0.000 3/30240 40.0 10.156 7.744 6.458 0.000 0.363 0.000 3/30240 50.0 6.950 5.274 4.425 0.000 0.285 0.000 3/30240 60.0 5.261 3.954 3.352 0.000 0.228 0.000 3/30240 70.0 4.252 3.153 2.702 0.000 0.189 0.000 3/30240 80.0 3.599 2.623 2.269 0.000 0.161 0.000 3/30240 90.0 3.156 2.249 1.962 0.000 0.140 0.000 3/30240 100.0 2.845 1.972 1.732 0.000 0.124 0.000 3/30240 110.0 2.623 1.757 1.554 0.000 0.112 0.000 3/30240 120.0 2.462 1.587 1.412 0.000 0.102 0.000 3/30240 130.0 2.344 1.449 1.295 0.000 0.093 0.000 3/30240 140.0 2.255 1.334 1.198 0.000 0.087 0.000 3/30240 150.0 2.187 1.236 1.115 0.000 0.081 0.000 3/30240 160.0 2.134 1.153 1.044 0.000 0.076 0.000 3/30240 170.0 2.091 1.081 0.983 0.000 0.071 0.000 3/30240 180.0 2.055 1.019 0.929 0.000 0.067 0.000 3/30240 190.0 2.024 0.963 0.881 0.000 0.064 0.000 3/30240 200.0 1.997 0.914 0.839 0.000 0.061 0.000 3/30240 210.0 1.972 0.870 0.801 0.000 0.058 0.000 3/30240 220.0 1.948 0.830 0.767 0.000 0.055 0.000 3/30240 230.0 1.926 0.795 0.736 0.000 0.053 0.000 3/30240 240.0 1.904 0.762 0.708 0.000 0.050 0.000 3/30240 250.0 1.883 0.733 0.682 0.000 0.048 0.000 3/30240 260.0 1.861 0.706 0.659 0.000 0.047 0.000 3/30240 270.0 1.840 0.681 0.637 0.000 0.045 0.000 3/30240 280.0 1.819 0.658 0.617 0.000 0.043 0.000 3/30240 290.0 1.798 0.637 0.599 0.000 0.042 0.000 3/30240 300.0 1.777 0.617 0.582 0.000 0.040 0.000 3/30240 310.0 1.756 0.599 0.566 0.000 0.039 0.000 3/30240 320.0 1.735 0.581 0.551 0.000 0.038 0.000 3/30240 330.0 1.715 0.565 0.537 0.000 0.037 0.000 3/30240 340.0 1.694 0.550 0.523 0.000 0.035 0.000 3/30240 350.0 1.673 0.536 0.511 0.000 0.034 0.000 3/30240 360.0 1.653 0.523 0.499 0.000 0.033 0.000 3/30240 370.0 1.632 0.510 0.488 0.000 0.033 0.000 3/30240 380.0 1.612 0.498 0.478 0.000 0.032 0.000 3/30240 390.0 1.592 0.487 0.467 0.000 0.031 0.000 3/30240 400.0 1.572 0.476 0.458 0.000 0.030 0.000 3/30240 410.0 1.553 0.466 0.449 0.000 0.029 0.000 3/30240 420.0 1.533 0.456 0.440 0.000 0.029 0.000 3/30240 430.0 1.514 0.446 0.432 0.000 0.028 0.000 3/30240 440.0 1.495 0.437 0.424 0.000 0.027 0.000 3/30240 450.0 1.477 0.429 0.416 0.000 0.027 0.000 3/30240 460.0 1.458 0.421 0.408 0.000 0.026 0.000 3/30240 470.0 1.440 0.413 0.401 0.000 0.025 0.000 3/30240 480.0 1.422 0.405 0.394 0.000 0.025 0.000 3/30240 490.0 1.405 0.398 0.388 0.000 0.024 0.000 3/30240 500.0 1.388 0.391 0.381 0.000 0.024 0.000 3/30240 510.0 1.371 0.384 0.375 0.000 0.023 0.000 3/30240 520.0 1.354 0.378 0.369 0.000 0.023 0.000 3/30240 530.0 1.337 0.371 0.363 0.000 0.022 0.000 3/30240 540.0 1.321 0.365 0.358 0.000 0.022 0.000 3/30240 550.0 1.305 0.359 0.352 0.000 0.022 0.000 3/30240 560.0 1.290 0.354 0.347 0.000 0.021 0.000 3/30240 570.0 1.274 0.348 0.342 0.000 0.021 0.000 3/30240 580.0 1.259 0.343 0.337 0.000 0.020 0.000 3/30240 590.0 1.244 0.338 0.332 0.000 0.020 0.000 3/30240 600.0 1.230 0.333 0.328 0.000 0.020 0.000 3/30240 610.0 1.216 0.328 0.323 0.000 0.019 0.000 3/30240 620.0 1.202 0.323 0.319 0.000 0.019 0.000 3/30240 630.0 1.188 0.318 0.314 0.000 0.019 0.000 3/30240 640.0 1.174 0.314 0.310 0.000 0.018 0.000 3/30240 650.0 1.161 0.310 0.306 0.000 0.018 0.000 3/30240 660.0 1.148 0.305 0.302 0.000 0.018 0.000 3/30240 670.0 1.135 0.301 0.298 0.000 0.018 0.000 3/30240 680.0 1.123 0.297 0.294 0.000 0.017 0.000 3/30240 690.0 1.110 0.293 0.291 0.000 0.017 0.000 3/30240 700.0 1.098 0.290 0.287 0.000 0.017 0.000 3/30240 710.0 1.086 0.286 0.284 0.000 0.017 0.000 3/30240 720.0 1.075 0.282 0.280 0.000 0.016 0.000 3/30240 730.0 1.063 0.279 0.277 0.000 0.016 0.000 3/30240 740.0 1.052 0.275 0.274 0.000 0.016 0.000 3/30240 750.0 1.041 0.272 0.270 0.000 0.016 0.000 3/30240 760.0 1.030 0.269 0.267 0.000 0.015 0.000 3/30240 770.0 1.019 0.265 0.264 0.000 0.015 0.000 3/30240 780.0 1.009 0.262 0.261 0.000 0.015 0.000 3/30240 790.0 0.999 0.259 0.258 0.000 0.015 0.000 3/30240 800.0 0.989 0.256 0.255 0.000 0.015 0.000 3/30240 810.0 0.979 0.253 0.253 0.000 0.014 0.000 3/30240 820.0 0.969 0.251 0.250 0.000 0.014 0.000 3/30240 830.0 0.959 0.248 0.247 0.000 0.014 0.000 3/30240 840.0 0.950 0.245 0.245 0.000 0.014 0.000 3/30240 850.0 0.941 0.242 0.242 0.000 0.014 0.000 3/30240 860.0 0.932 0.240 0.239 0.000 0.014 0.000 3/30240 870.0 0.923 0.237 0.237 0.000 0.013 0.000 3/30240 880.0 0.914 0.235 0.235 0.000 0.013 0.000 3/30240 890.0 0.905 0.232 0.232 0.000 0.013 0.000 3/30240 900.0 0.897 0.230 0.230 0.000 0.013 0.000 3/30240 910.0 0.889 0.228 0.228 0.000 0.013 0.000 3/30240 920.0 0.880 0.225 0.225 0.000 0.013 0.000 3/30240 930.0 0.872 0.223 0.223 0.000 0.013 0.000 3/30240 940.0 0.864 0.221 0.221 0.000 0.012 0.000 3/30240 950.0 0.857 0.219 0.219 0.000 0.012 0.000 3/30240 960.0 0.849 0.217 0.217 0.000 0.012 0.000 3/30240 970.0 0.841 0.214 0.215 0.000 0.012 0.000 3/30240 980.0 0.834 0.212 0.213 0.000 0.012 0.000 3/30240 990.0 0.827 0.210 0.211 0.000 0.012 0.000 3/30240 1000.0 0.819 0.208 0.209 0.000 0.012 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1047.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:22:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|